NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4954 8.3349 115.4157 57.8846 65.2153 173.7106 0 H 4.7452 8.0286 116.4131 53.1370 32.3454 170.7069 1 M 4.7747 8.6540 123.1124 53.2513 36.3020 174.5208 2 A 4.1647 8.3570 126.8860 51.9550 19.2993 177.4075 3 I 3.9440 8.1548 125.0634 61.3924 38.0073 176.9555 4 V 3.9161 8.1318 122.6514 59.8694 32.3347 173.2810 5 K 4.3583 8.4983 126.4162 55.1642 32.8953 176.3100 6 V 4.7003 8.2131 118.1041 59.7605 35.4428 174.4237 7 T 4.8113 9.0027 111.6126 59.4602 71.9630 174.4988 8 D 4.3661 8.9434 120.7061 57.6390 40.7901 178.6604 9 A 4.1802 7.6479 119.8037 54.3083 18.6992 177.5764 10 D 4.9128 7.9508 112.1506 52.2942 40.9758 177.0572 11 F 3.9721 8.4971 123.3388 62.1109 39.0990 176.9027 12 D 4.5471 8.2649 116.5003 57.0696 40.7420 178.3184 13 S 4.2979 7.9884 113.7729 60.8374 63.4145 175.9657 14 K 4.2305 7.7898 121.0533 56.8325 33.1231 177.2839 15 V 4.1019 7.3116 121.7740 61.3106 30.5479 174.6777 16 E 4.5742 8.1335 116.3654 55.9089 33.5122 176.3162 17 S 4.5916 7.6740 111.0396 57.5997 65.9257 174.9542 18 G 3.7395 8.8013 113.3902 44.5681 0.0000 171.8532 19 V 4.3055 8.1997 119.9255 61.1132 33.1496 175.9089 20 Q 4.6442 8.5620 125.6963 53.8438 31.5375 174.4693 21 L 4.6301 8.3947 123.2281 53.1489 43.7330 175.5011 22 V 4.2062 8.4025 125.2911 60.9533 33.4146 174.0217 23 D 4.7019 8.6196 127.1133 52.9943 41.0260 175.5353 24 F 4.5687 9.0813 127.0621 56.1560 39.1913 175.0901 25 W 5.2428 8.2823 121.8596 55.4774 31.2794 173.4426 26 A 3.3823 8.1130 118.2616 51.4211 21.0483 176.7499 27 T 4.1374 8.2265 116.6036 65.9002 68.7566 175.1213 28 A 4.7343 7.5763 121.4391 50.5375 21.7819 177.6090 29 C 4.7114 8.2966 120.0403 54.8413 42.0000 174.3754 30 G 3.5337 8.1743 113.0776 47.0848 0.0000 170.7588 31 P 4.3142 0.0000 0.0000 65.1536 30.8454 179.4288 32 C 4.3815 8.1756 115.1704 60.0358 39.9733 176.0974 33 K 3.9921 7.8349 118.9300 59.6522 31.6677 179.0926 34 M 4.1680 7.9127 118.3814 58.2229 32.1419 178.1892 35 I 4.1871 8.0536 117.6836 62.9722 38.1975 177.6627 36 A 4.0307 7.6808 121.2386 54.8800 18.2959 177.8558 37 P 4.4689 0.0000 0.0000 65.5548 31.4754 178.6536 38 V 3.6052 7.8818 117.9895 66.1444 31.3837 177.8549 39 L 4.0118 8.1084 118.5820 57.7316 41.1692 179.3299 40 E 3.9916 8.2971 118.6886 59.4919 29.4050 179.3009 41 E 4.0127 8.3200 118.6896 59.1976 29.5138 179.0673 42 L 4.0897 8.2337 120.3505 58.1361 41.9180 178.8539 43 A 4.0477 8.2398 119.9651 55.1215 18.4519 179.2173 44 A 4.1085 7.8424 119.1443 55.4906 18.2877 179.6948 45 D 4.3197 8.2411 116.2765 56.6455 40.9921 177.5988 46 Y 4.4670 7.9785 115.5906 56.2436 38.3261 174.6443 47 E 3.9408 7.2705 120.9799 58.2221 29.8739 177.4862 48 G 4.1016 9.1416 114.3447 45.2216 0.0000 173.8968 49 K 4.4166 8.2513 117.6230 57.2473 33.8171 176.6371 50 A 4.7053 7.7047 118.7533 50.6871 22.1052 174.7867 51 D 4.9134 8.4960 121.0691 52.8317 42.7288 176.1473 52 I 4.5198 8.1430 122.2949 59.5496 39.7253 175.0314 53 L 4.9560 8.3176 123.7893 52.6945 45.6368 175.6699 54 K 4.6610 8.2515 117.6995 55.0602 35.4884 175.5675 55 L 4.5549 8.2360 121.7524 52.5488 44.5882 175.7839 56 D 4.5453 8.6571 125.6312 54.0261 41.8371 177.0922 57 V 3.7643 8.3848 121.1293 64.1342 31.8114 177.8604 58 D 4.5232 8.1983 118.4534 56.8361 40.7884 177.7307 59 E 4.4094 8.3048 116.6335 56.7615 31.4265 176.2469 60 N 5.0827 7.6675 116.4861 50.2818 39.3953 173.2876 61 P 4.3511 0.0000 0.0000 65.5430 32.0328 179.0445 62 S 4.0964 7.9851 114.7346 61.9727 62.7657 176.5565 63 T 3.9591 7.9225 117.6409 66.5733 68.2756 176.4771 64 A 4.1125 7.9651 122.4633 55.1225 18.4036 179.6366 65 A 3.9197 8.1837 119.3018 55.1165 18.2864 179.5070 66 K 3.6258 7.7996 117.0576 59.3842 32.1190 177.5298 67 Y 4.6352 7.4976 115.8499 57.0671 38.7547 175.9762 68 E 3.7778 7.9207 114.4769 56.7777 27.6159 179.5372 69 V 4.0025 7.8374 120.1745 63.4108 32.3853 174.5872 70 M 4.5548 8.8471 125.6489 56.3463 34.2630 176.1307 71 S 4.7850 7.8723 110.9343 56.6082 65.3116 172.7840 72 I 4.7182 7.8655 113.6508 58.1143 40.1361 173.4416 73 P 4.6587 0.0000 0.0000 63.0877 32.9323 174.9106 74 T 5.0423 8.4051 117.2185 61.8269 71.8988 173.0908 75 L 4.7257 9.0702 126.0569 52.9734 44.4202 175.3327 76 I 4.6677 8.2302 124.4611 59.2487 39.3706 175.4131 77 V 3.7721 8.2742 128.4812 62.6715 32.2986 174.6773 78 F 5.0027 8.9826 129.1334 56.2919 41.2458 176.2710 79 K 4.4525 8.9659 124.2461 53.5636 33.9465 174.9082 80 D 4.2364 9.8762 126.1271 54.5275 38.2204 175.2357 81 G 3.9821 8.8048 108.3122 45.9872 0.0000 174.3135 82 Q 4.8202 7.8141 119.1422 51.9790 30.3851 178.6791 83 P 4.1949 0.0000 0.0000 62.0480 31.7475 176.3848 84 V 4.3615 8.3320 114.3833 61.0350 33.8992 174.7491 85 D 4.6011 7.4260 118.3392 53.2940 44.6535 173.6469 86 K 5.0278 8.3465 122.4738 54.7812 35.7132 175.2052 87 V 4.3800 9.0181 126.7197 61.0568 34.4396 173.9991 88 V 4.4104 8.6422 127.8180 62.4207 32.8938 176.3482 89 G 3.9888 9.0900 114.4294 44.4486 0.0000 172.4861 90 F 4.1588 8.4725 120.4604 58.5167 39.7296 174.2178 91 Q 4.2126 7.0306 124.5917 52.2954 32.9243 173.7190 92 P 4.2959 0.0000 0.0000 62.0206 33.3163 177.6702 93 K 3.8947 8.6497 122.8235 60.5314 32.1492 179.3232 *94 E 3.9777 8.2172 117.9191 61.3797 29.6565 180.6313 95 N 4.5006 7.9726 116.8603 56.1791 38.7486 177.4372 96 L 3.9082 7.7140 119.6871 57.5711 41.5710 179.3361 97 A 3.9643 8.3846 123.4536 55.9047 18.3326 180.0930 98 E 3.9423 8.1207 116.6719 61.2180 29.4945 181.3899 99 V 3.7437 7.4111 117.8417 65.9023 31.9400 177.8382 100 L 4.0373 7.8753 118.6956 57.9343 41.2471 179.2267 101 D 4.5379 8.6041 121.6354 57.9492 40.5309 179.5944 102 K 4.0993 7.8043 122.5325 58.7776 31.7297 180.3244 103 H 5.0585 7.7181 111.9788 55.9501 29.7453 174.0721 104 L 4.2379 7.7033 126.6463 55.0088 41.5584 176.6054 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 S 8.33 4.50 0.00 4.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.03 4.75 0.00 3.10 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.65 4.77 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.07 0.00 2 A 8.36 4.16 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.15 3.94 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.85 0.00 0.00 4 V 8.13 3.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 5 K 8.50 4.36 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.57 7.81 6 V 8.21 4.70 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 7 T 9.00 4.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 D 8.94 4.37 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.65 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.95 4.91 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.50 3.97 0.00 3.42 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.26 4.55 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.99 4.30 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.79 4.23 0.00 1.57 1.76 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 15 V 7.31 4.10 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.12 0.00 0.00 16 E 8.13 4.57 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 17 S 7.67 4.59 0.00 3.74 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.20 4.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 20 Q 8.56 4.64 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.48 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 21 L 8.39 4.63 0.00 1.60 1.55 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.40 4.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.93 0.00 0.00 23 D 8.62 4.70 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.08 4.57 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.28 5.24 0.00 3.57 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.11 3.38 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.23 4.14 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 A 7.58 4.73 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.30 4.71 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.17 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.31 0.00 2.22 2.18 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 32 C 8.18 4.38 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.83 3.99 0.00 2.13 1.86 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 34 M 7.91 4.17 0.00 1.46 2.06 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.33 0.00 35 I 8.05 4.19 2.20 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 1.00 0.00 0.00 36 A 7.68 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.47 0.00 2.31 2.34 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 38 V 7.88 3.61 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.07 0.00 0.00 39 L 8.11 4.01 0.00 1.89 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.30 3.99 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 41 E 8.32 4.01 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 42 L 8.23 4.09 0.00 1.94 1.83 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.24 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.84 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.24 4.32 0.00 2.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.98 4.47 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.27 3.94 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 48 G 9.14 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.25 4.42 0.00 2.02 1.99 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.51 7.81 50 A 7.70 4.71 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.50 4.91 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.14 4.52 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.90 0.00 0.00 53 L 8.32 4.96 0.00 1.51 1.49 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.25 4.66 0.00 1.80 1.72 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.40 7.81 55 L 8.24 4.55 0.00 1.56 1.56 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.66 4.55 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.38 3.76 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 58 D 8.20 4.52 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.30 4.41 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 60 N 7.67 5.08 0.00 2.78 2.71 0.00 0.00 6.59 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.35 0.00 2.27 2.32 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 62 S 7.99 4.10 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.92 3.96 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 64 A 7.97 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.18 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.80 3.63 0.00 1.94 1.66 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.37 7.81 67 Y 7.50 4.64 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.92 3.78 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 69 V 7.84 4.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.07 0.00 0.00 70 M 8.85 4.55 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 71 S 7.87 4.78 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.87 4.72 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.95 0.00 0.00 73 P 0.00 4.66 0.00 2.17 2.25 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 74 T 8.41 5.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 75 L 9.07 4.73 0.00 1.52 1.51 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.23 4.67 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.10 0.00 0.00 77 V 8.27 3.77 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.84 0.00 0.00 78 F 8.98 5.00 0.00 2.88 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.97 4.45 0.00 1.58 1.65 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.23 7.81 80 D 9.88 4.24 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.80 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.81 4.82 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 83 P 0.00 4.19 0.00 1.92 1.39 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 84 V 8.33 4.36 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.64 0.00 0.00 85 D 7.43 4.60 0.00 2.54 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.35 5.03 0.00 1.66 1.54 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.39 7.81 87 V 9.02 4.38 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.87 0.00 0.00 88 V 8.64 4.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 89 G 9.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.47 4.16 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.03 4.21 0.00 1.74 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 92 P 0.00 4.30 0.00 2.11 1.98 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 93 K 8.65 3.89 0.00 1.82 1.82 0.00 1.77 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.53 7.81 *94 E 8.22 3.98 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.99 0.00 95 N 7.97 4.50 0.00 2.79 2.82 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.71 3.91 0.00 1.76 1.61 0.79 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.38 3.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.12 3.94 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 99 V 7.41 3.74 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.88 0.00 0.00 100 L 7.88 4.04 0.00 1.44 1.28 0.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.60 4.54 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.80 4.10 0.00 1.85 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 103 H 7.72 5.06 0.00 3.08 3.29 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.70 4.24 0.00 1.64 1.63 1.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.