HEADER IMMUNE SYSTEM/ION TRANSPORT 25-AUG-05 2ATK . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.F.CORDERO-MORALES,L.G.CUELLO,Y.ZHAO,V.JOGINI,S.CHAKRAPANI, . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-APR-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 534 # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 1 A Q 0 0 179 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 158.7 124.4 121.7 -20.5 124.2 120.5 -21.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7855 -0.4619 0.4118 -0.2459 0.3778 0.8927 -0.5679 -0.8025 0.1832 2 2 A V - 0 0 95 1,-0.1 3,-0.1 22,-0.0 107,-0.1 0.000 360.0-171.1 -50.2 111.6 127.7 120.9 -18.6 127.9 119.7 -17.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9736 -0.0461 -0.2235 0.0360 0.9982 -0.0488 0.2254 0.0394 0.9735 3 3 A Q + 0 0 36 -2,-0.2 22,-0.6 105,-0.2 2,-0.4 0.000 67.7 37.5 -77.5 -36.6 130.6 122.0 -20.8 130.9 123.5 -21.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9329 -0.2361 -0.2721 -0.3407 -0.8233 -0.4540 -0.1168 0.5163 -0.8484 4 4 A L E -A 24 0A 6 104,-0.3 2,-0.5 20,-0.2 106,-0.3 0.000 66.3-162.8-124.7 132.6 133.6 120.5 -18.9 134.6 121.5 -18.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4037 -0.7154 0.5703 -0.1799 -0.6733 -0.7172 0.8971 0.1869 -0.4005 5 5 A Q E +A 23 0A 93 18,-2.3 18,-1.7 -2,-0.4 104,-0.1 0.000 12.7 171.7-119.3 121.7 133.7 117.2 -17.1 132.9 116.0 -17.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4419 -0.6596 0.6080 -0.0690 0.6507 0.7562 -0.8944 -0.3761 0.2420 6 6 A Q - 0 0 22 -2,-0.5 2,-0.2 16,-0.2 16,-0.1 0.000 41.4 -96.5-127.9 146.2 136.2 116.2 -14.5 137.0 117.3 -13.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3314 -0.6084 0.7211 0.0899 -0.7405 -0.6660 0.9392 0.2856 -0.1906 7 7 A P - 0 0 43 0, 0.0 106,-0.1 0, 0.0 14,-0.0 0.000 32.5-129.5 -60.3 121.6 136.5 113.1 -12.2 137.8 112.2 -12.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1279 -0.1792 0.9755 -0.9911 0.0583 -0.1193 -0.0354 -0.9821 -0.1851 8 8 A G S S- 0 0 33 -2,-0.2 105,-2.3 104,-0.2 2,-0.3 0.000 80.3 -6.2 -42.7 -35.8 135.1 114.0 -8.8 134.0 113.2 -8.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3999 0.1716 0.9004 0.3099 0.8992 -0.3090 -0.8626 0.4026 0.3064 9 9 A A E -d 113 0B 5 103,-0.3 2,-0.3 196,-0.1 105,-0.2 0.000 51.2-163.3-160.0 166.5 138.2 112.7 -7.1 137.8 112.2 -5.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8810 -0.4495 0.1478 0.4594 0.7375 -0.4950 0.1135 0.5040 0.8562 10 10 A E E -d 114 0B 69 103,-2.1 105,-1.9 -2,-0.3 2,-0.3 0.000 12.8-150.5-157.6 129.0 141.6 110.9 -7.3 142.3 111.5 -8.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8495 -0.3954 0.3493 -0.5055 -0.7996 0.3243 0.1510 -0.4520 -0.8791 11 11 A L E +d 115 0B 46 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 0.000 19.3 178.0-103.2 143.3 143.7 109.3 -4.6 143.2 108.2 -3.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9389 -0.2542 0.2321 0.2581 0.9660 0.0139 -0.2278 0.0469 0.9726 12 12 A V E -d 116 0B 11 103,-2.3 105,-1.7 -2,-0.3 6,-0.1 0.000 27.3-120.7-148.2 142.1 147.5 109.2 -5.0 148.0 110.3 -5.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9406 -0.1551 0.3021 -0.1775 -0.9830 0.0479 0.2895 -0.0987 -0.9521 13 13 A K > - 0 0 121 -2,-0.3 3,-2.7 103,-0.2 73,-0.3 0.000 44.8 -93.4 -83.6 140.2 150.4 107.9 -2.8 150.9 106.5 -2.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8627 0.3161 0.3947 -0.5003 0.6468 0.5756 -0.0734 -0.6941 0.7162 14 14 A P T 3 S+ 0 0 71 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 0.000 118.0 23.1 -55.5 115.1 153.1 110.4 -1.8 153.3 110.6 -0.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9428 0.1668 -0.2886 -0.3323 0.4029 -0.8528 -0.0259 0.8999 0.4353 15 15 A G T 3 S+ 0 0 50 71,-1.4 70,-0.5 1,-0.4 72,-0.1 0.000 106.2 101.0 117.1 -31.7 155.8 110.0 -4.4 156.4 108.9 -3.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2626 -0.3496 -0.8993 0.1232 0.9366 -0.3281 0.9570 -0.0246 0.2890 16 16 A A < - 0 0 42 -3,-2.7 70,-1.7 69,-0.2 69,-1.0 0.000 62.8-132.1 -70.0-170.8 153.4 108.6 -7.0 152.2 107.8 -6.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4055 0.2949 -0.8652 0.8988 -0.0437 -0.4362 -0.1664 -0.9545 -0.2473 17 17 A S E - B 0 84A 59 67,-0.2 2,-0.3 68,-0.2 67,-0.3 0.000 13.4-160.7-138.5 177.1 151.8 110.5 -9.9 152.7 110.5 -11.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7779 0.3077 -0.5479 -0.3098 0.5708 0.7604 0.5467 0.7613 -0.3487 18 18 A V E - B 0 83A 15 65,-2.8 65,-2.8 -2,-0.2 2,-0.6 0.000 14.2-143.6-167.5 138.1 148.4 111.0 -11.6 147.5 111.3 -10.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7060 0.3120 -0.6357 0.2794 -0.7022 -0.6549 -0.6508 -0.6400 0.4086 19 19 A K E - B 0 82A 118 -2,-0.3 63,-0.2 63,-0.2 2,-0.2 0.000 22.0-160.5-108.1 114.1 146.9 112.2 -14.9 147.1 111.4 -16.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7952 0.4326 -0.4248 0.1994 0.8482 0.4907 0.5726 0.3055 -0.7608 20 20 A L E - B 0 81A 2 61,-2.4 61,-1.7 -2,-0.6 2,-0.2 0.000 8.9-142.5 -89.9 158.2 143.6 114.1 -14.4 143.5 115.4 -13.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8084 0.2675 -0.5243 -0.2647 -0.9608 -0.0822 -0.5258 0.0723 0.8475 21 21 A S E - B 0 80A 28 59,-0.2 59,-0.2 -2,-0.2 2,-0.1 0.000 19.3-178.1-118.2 170.5 141.1 114.5 -17.3 140.4 113.3 -17.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6371 0.5798 -0.5079 0.7486 0.6224 -0.2285 0.1836 -0.5258 -0.8305 22 22 A a E - B 0 79A 4 57,-0.6 57,-2.4 -2,-0.2 2,-0.2 0.000 12.3-172.0-168.6 92.4 138.8 117.3 -18.6 139.6 118.6 -18.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5925 0.4649 -0.6579 -0.7730 -0.5580 0.3018 -0.2268 0.6874 0.6900 23 23 A K E -AB 5 78A 84 -18,-1.7 -18,-2.3 55,-0.3 55,-0.2 0.000 11.6-149.3 -93.6 153.3 136.6 116.5 -21.6 135.9 115.2 -21.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6357 0.4363 -0.6369 0.7328 0.6004 -0.3201 0.2428 -0.6702 -0.7014 24 24 A A E +A 4 0A 25 53,-2.2 2,-0.3 52,-0.3 -20,-0.2 0.000 18.1 174.9-116.5 179.5 134.5 119.2 -23.3 135.3 120.3 -24.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8330 0.3004 -0.4647 -0.5364 -0.2324 0.8113 0.1358 0.9251 0.3547 25 25 A S + 0 0 43 -22,-0.6 2,-0.1 -2,-0.2 -22,-0.0 0.000 47.6 46.8-167.0 176.4 131.3 119.8 -25.3 130.2 119.0 -24.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6912 0.5443 -0.4753 0.5661 -0.0009 -0.8243 -0.4491 -0.8389 -0.3075 26 26 A G S S+ 0 0 45 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.000 107.8 5.0 76.2-154.7 129.3 122.6 -26.8 129.3 123.5 -25.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1821 0.7898 -0.5857 -0.5529 -0.4103 -0.7252 -0.8131 0.4559 0.3619 27 27 A Y S S+ 0 0 179 -2,-0.1 2,-0.4 1,-0.0 -2,-0.2 0.000 71.9 174.3 -67.0 125.5 131.1 125.2 -28.8 130.8 126.7 -28.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9425 0.2090 -0.2608 0.0237 -0.8201 -0.5717 -0.3334 0.5326 -0.7779 28 28 A T - 0 0 73 -2,-0.3 2,-0.2 -4,-0.1 -2,-0.1 0.000 7.0-171.7-138.7 126.0 134.8 124.4 -29.3 135.1 122.9 -29.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8927 0.0988 -0.4396 0.0829 0.9230 0.3757 0.4429 -0.3718 0.8158 29 29 A F > - 0 0 116 -2,-0.4 3,-0.6 1,-0.1 25,-0.2 0.000 37.3-119.9-111.3 170.8 137.3 126.2 -31.5 137.3 127.8 -31.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8999 0.0040 -0.4360 -0.2619 -0.7944 -0.5480 -0.3486 0.6073 -0.7139 30 30 A T T 3 S+ 0 0 77 1,-0.2 24,-0.2 -2,-0.2 -1,-0.1 0.000 117.3 57.8 -81.9 -9.9 140.9 125.6 -32.7 141.4 125.6 -34.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9234 0.2831 0.2593 -0.0729 -0.5339 0.8424 0.3769 -0.7968 -0.4724 31 31 A S T 3 S+ 0 0 27 22,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.000 82.3 113.4 -98.6 -4.7 141.6 128.8 -30.9 141.1 130.2 -31.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1552 0.4256 0.8915 0.8301 -0.5454 0.1158 0.5355 0.7221 -0.4379 32 32 A D < - 0 0 9 -3,-0.6 2,-0.4 69,-0.1 22,-0.3 0.000 51.2-153.5 -73.6 145.0 140.3 127.7 -27.5 139.1 126.8 -27.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3573 -0.2597 0.8971 0.3479 0.9284 0.1302 -0.8668 0.2656 0.4221 33 33 A W E -E 99 0B 0 66,-3.1 66,-2.6 19,-0.2 2,-0.5 0.000 4.1-147.4-117.3 140.8 142.7 127.3 -24.5 143.5 128.5 -24.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1708 -0.4281 0.8874 0.0377 -0.8972 -0.4401 0.9846 0.1086 -0.1372 34 34 A I E -EF 98 51B 14 17,-2.9 17,-1.5 -2,-0.4 64,-0.2 0.000 19.7-165.9-108.7 127.4 142.2 124.9 -21.5 142.0 123.4 -21.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2165 -0.1262 0.9681 -0.5011 0.8366 0.2211 -0.8378 -0.5330 0.1179 35 35 A H E -EF 97 50B 0 62,-2.1 62,-1.1 -2,-0.5 2,-0.4 0.000 10.8-143.0-105.5 171.1 143.5 126.2 -18.2 143.2 127.6 -17.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2922 -0.2560 0.9214 0.7325 -0.5595 -0.3878 0.6148 0.7883 0.0240 36 36 A W E -EF 96 49B 0 13,-1.5 12,-3.2 60,-0.2 13,-1.0 0.000 14.0-169.8-138.0 132.2 144.2 124.4 -14.9 145.2 123.3 -15.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0725 0.0067 0.9973 -0.9768 0.2023 0.0697 -0.2013 -0.9793 0.0212 37 37 A V E -EF 95 47B 0 58,-2.5 58,-2.8 -2,-0.4 2,-0.4 0.000 9.2-149.8-129.1 130.9 143.7 126.0 -11.5 142.5 127.0 -11.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0308 -0.0033 0.9995 0.9980 -0.0550 -0.0309 0.0551 0.9985 0.0016 38 38 A K E -EF 94 46B 27 8,-3.1 8,-1.5 -2,-0.4 2,-0.4 0.000 13.7-179.7-102.7 134.7 144.7 124.7 -8.1 146.2 124.3 -7.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1793 0.0065 0.9838 -0.9049 -0.3935 -0.1623 0.3861 -0.9193 0.0764 39 39 A Q E -E 93 0B 20 54,-2.2 54,-2.6 -2,-0.4 6,-0.1 0.000 11.7-157.7-137.5 113.4 142.8 125.4 -4.9 141.3 125.8 -5.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1962 -0.1227 0.9729 0.9025 0.3652 0.2281 -0.3833 0.9228 0.0391 40 40 A R > - 0 0 96 4,-0.4 3,-3.1 -2,-0.4 52,-0.2 0.000 47.0 -79.9 -86.3 142.3 143.9 124.1 -1.6 145.3 124.4 -0.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3901 -0.1499 0.9085 -0.5944 -0.7125 -0.3728 0.7032 -0.6854 0.1889 41 41 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.000 118.1 6.9 -42.8 131.6 141.2 123.9 1.1 141.1 122.6 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3193 0.6504 0.6892 -0.4792 0.5166 -0.7096 -0.8176 -0.5569 0.1467 42 42 A G T 3 S+ 0 0 87 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.000 113.5 100.6 74.2 -4.7 140.6 127.3 2.6 141.2 127.0 3.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3957 0.9182 0.0150 -0.8056 0.3550 -0.4743 -0.4408 0.1756 0.8802 43 43 A H S < S- 0 0 116 -3,-3.1 -1,-0.2 1,-0.2 3,-0.1 0.000 70.3-104.0-105.7 177.9 142.9 129.0 0.1 144.3 128.4 -0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0630 0.6029 -0.7954 -0.4446 0.7304 0.5185 0.8935 0.3210 0.3140 44 44 A G - 0 0 25 -2,-0.2 -4,-0.4 1,-0.1 2,-0.3 0.000 50.0 -61.2 -88.9-167.2 142.4 131.0 -3.1 142.9 132.4 -3.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0790 -0.0730 -0.9942 -0.8187 -0.5642 0.1065 -0.5687 0.8224 -0.0152 45 45 A L - 0 0 16 274,-0.4 2,-0.5 -6,-0.1 273,-0.3 0.000 44.2-167.1 -83.1 135.7 142.7 130.3 -6.8 141.7 130.9 -7.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6770 -0.1810 -0.7134 0.2534 -0.8527 0.4568 -0.6910 -0.4900 -0.5314 46 46 A E E -F 38 0B 63 -8,-1.5 -8,-3.1 -2,-0.3 2,-0.4 0.000 17.2-135.8-129.1 115.2 146.1 129.4 -8.3 146.9 128.5 -7.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6155 -0.2127 -0.7589 -0.1336 0.9208 -0.3664 0.7767 0.3269 0.5383 47 47 A W E +F 37 0B 6 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 0.000 24.2 175.8 -70.0 123.7 146.9 129.3 -12.0 147.1 130.5 -12.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5411 -0.5566 -0.6304 -0.6120 -0.7748 0.1587 -0.5768 0.2999 -0.7599 48 48 A I E - 0 0 12 -12,-3.2 13,-2.7 -2,-0.4 2,-0.3 0.000 51.5 -61.1 -94.3 -48.5 148.8 126.1 -12.9 148.3 124.7 -12.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6771 -0.3795 -0.6305 0.6797 0.6510 0.3380 0.2822 -0.6574 0.6987 49 49 A G E -FG 36 60B 0 -13,-1.0 -13,-1.5 11,-0.3 -1,-0.3 0.000 41.0-123.2 176.0 175.7 149.1 126.3 -16.7 150.1 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1,-0.2 21,-0.4 20,-0.1 -1,-0.1 0.000 96.4 20.3 -43.2 111.6 115.0 123.8 0.5 113.6 124.3 0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1481 0.0987 0.9840 0.9532 0.2794 0.1154 -0.2635 0.9551 -0.1355 167 167 A G T 3 S+ 0 0 27 1,-0.2 20,-0.8 19,-0.1 2,-0.4 0.000 88.6 139.2 95.5 38.1 116.1 123.1 4.0 114.8 122.5 4.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4749 -0.6427 0.6011 0.6933 0.6940 0.1942 -0.5420 0.3245 0.7752 168 168 A V E < +M 186 0D 34 -3,-0.5 2,-0.4 18,-0.2 -1,-0.2 0.000 24.7 178.7-123.0 129.6 119.3 121.1 3.6 119.5 120.4 2.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9611 -0.1856 0.2046 -0.2313 -0.1353 0.9634 -0.1512 -0.9733 -0.1730 169 169 A H E -M 185 0D 14 16,-2.1 16,-2.8 -2,-0.4 2,-0.7 0.000 6.9-171.0-125.3 123.6 122.6 121.4 5.5 122.5 121.8 7.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9154 -0.3531 0.1934 0.2931 0.2549 -0.9215 0.2761 0.9002 0.3368 170 170 A T E -M 184 0D 55 -2,-0.4 14,-0.2 14,-0.3 3,-0.1 0.000 23.7-142.1-117.1 96.8 125.6 119.1 4.7 125.9 118.7 3.3 0 0.0 0 0.0 0 0.0 0 0.0 0 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V H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.000 111.4 47.9 -67.2 -40.7 152.9 141.5 -41.0 152.3 141.6 -39.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3071 0.9214 -0.2379 -0.1462 -0.2927 -0.9450 -0.9404 -0.2555 0.2246 506 96 C M H X S+ 0 0 71 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.000 115.0 45.5 -62.6 -48.1 154.9 144.8 -41.5 156.2 145.2 -40.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2758 0.5294 -0.8023 -0.9540 0.2530 -0.1610 0.1178 0.8098 0.5748 507 97 C V H X S+ 0 0 79 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.000 111.8 50.4 -64.4 -41.3 156.3 143.6 -44.9 157.3 142.4 -45.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3564 -0.1599 -0.9206 -0.1163 0.9852 -0.1261 0.9271 0.0621 -0.3697 508 98 C A H X S+ 0 0 23 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.000 114.3 47.0 -64.5 -38.5 152.9 142.3 -46.1 152.0 141.2 -45.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8060 0.4536 -0.3803 0.5177 0.2285 -0.8245 -0.2871 -0.8614 -0.4190 509 99 C G H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.000 114.8 43.8 -68.9 -41.4 151.4 145.7 -45.1 151.4 146.2 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5,-0.2 0.000 108.5 53.5 -62.1 -38.4 145.0 158.0 -68.7 144.2 158.5 -67.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0912 0.8977 -0.4310 -0.0776 -0.4379 -0.8957 -0.9928 -0.0483 0.1096 528 118 C E H X S+ 0 0 67 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.000 103.6 56.1 -66.4 -28.7 147.6 160.6 -69.5 148.8 161.1 -68.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4837 0.3264 -0.8121 -0.8624 0.3361 -0.3786 0.1494 0.8835 0.4440 529 119 C Q H <>S+ 0 0 92 -4,-0.8 5,-2.9 -3,-0.3 -1,-0.2 0.000 111.1 45.2 -68.8 -35.2 148.8 158.7 -72.5 149.2 157.2 -72.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3209 -0.0662 -0.9448 0.2980 0.9398 -0.1671 0.8990 -0.3352 -0.2819 530 120 C E H ><5S+ 0 0 118 -4,-1.6 3,-3.7 3,-0.2 -2,-0.2 0.000 106.6 57.4 -69.2 -52.7 145.1 158.9 -73.7 143.9 158.3 -73.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5771 0.7076 -0.4077 0.5371 -0.0472 -0.8422 -0.6152 -0.7050 -0.3528 531 121 C R H 3<5S+ 0 0 167 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.000 111.5 44.5 -50.0 -25.7 144.8 162.6 -72.9 145.1 163.2 -71.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3035 0.8418 -0.4464 -0.6937 -0.1260 -0.7092 -0.6532 0.5250 0.5457 532 122 C R T 3<5S- 0 0 180 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.000 110.1-126.8 -99.9 2.1 147.8 163.1 -75.2 149.2 162.9 -74.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3066 -0.0747 -0.9489 -0.6843 0.6756 -0.2743 0.6616 0.7334 0.1560 533 123 C G T < 5 0 0 67 -3,-3.7 -3,-0.2 -5,-0.1 -2,-0.1 0.000 360.0 360.0 56.0 35.7 146.3 160.7 -77.8 145.8 161.7 -78.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3740 -0.5866 -0.7184 -0.2406 -0.8094 0.5357 -0.8957 -0.0275 -0.4439 534 124 C H < 0 0 179 -5,-2.9 -4,-0.2 -6,-0.2 -5,-0.1 0.000 360.0 360.0 -86.6 360.0 149.5 158.9 -77.7 150.4 159.1 -76.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4007 -0.8830 -0.2446 -0.1589 0.1960 -0.9677 0.9023 0.4266 -0.0617 printout DONE