NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4266 8.2893 120.3268 54.6859 32.9080 178.1305 2 K 3.8301 9.1960 123.4130 56.8742 33.4012 175.1205 3 A 4.3145 8.9832 123.7096 51.9115 19.6252 176.7027 4 L 4.4599 7.4380 115.2573 51.3185 44.9346 176.8889 5 E 3.8847 8.3894 120.3669 57.3947 29.0377 174.7442 6 H 4.8045 7.8103 110.9994 56.2395 30.0425 176.0978 7 E 3.9101 8.2647 119.6151 58.9156 31.1362 179.8394 8 K 3.6784 8.2313 115.0879 57.7391 31.6149 178.0713 9 T 4.4952 8.4741 116.4212 59.7044 68.4103 173.0415 10 P 4.3237 0.0000 0.0000 66.0339 31.6607 178.5089 11 E 3.9179 8.0027 118.7470 59.2611 29.5217 178.5986 12 L 3.8974 7.8085 119.6337 58.1884 42.2572 178.7374 13 A 3.9374 7.8070 120.0441 54.9760 18.2688 179.4074 14 A 3.9962 8.1556 119.2595 54.7319 18.4297 180.1097 15 K 3.8962 8.4445 117.8095 59.5483 32.1642 179.1715 16 L 3.9764 8.3484 120.8288 58.2548 41.8880 178.9457 17 A 4.0318 8.1968 120.4072 54.8025 18.1347 179.4818 18 A 3.8935 7.9039 119.5867 55.4573 18.0707 179.6832 19 E 3.8448 8.0352 116.5660 59.4044 29.5305 179.4068 20 A 3.8772 7.8815 120.7599 55.3611 18.2471 179.8447 21 I 3.7216 7.7748 117.3978 64.2439 37.2527 177.9094 22 E 4.0278 8.2193 118.8776 57.7254 29.4646 176.8977 23 R 4.0617 7.0629 116.6753 57.5484 31.9318 175.2592 24 D 4.5254 8.0197 119.6623 51.9560 41.6609 175.0677 25 P 4.3243 0.0000 0.0000 65.5730 31.1837 178.3860 26 W 4.4578 8.5349 127.5740 60.3563 30.8447 177.5073 27 A 3.7217 8.4148 120.5576 55.1246 17.7528 179.4405 28 A 3.8411 7.7621 118.5220 55.3724 18.4080 179.7534 29 Q 3.8761 8.2168 116.7952 59.2134 28.8673 179.4336 30 V 3.1344 7.3829 119.3776 66.0239 31.2196 178.2986 31 S 4.0775 7.6713 113.7174 61.3136 62.6360 176.1074 32 Q 4.0700 7.6987 121.8888 58.9621 28.8984 177.7396 33 L 4.0274 8.0946 119.5606 55.2325 42.9800 177.1707 34 S 3.6091 7.7011 113.3348 59.2123 60.2407 171.8723 35 L 4.3172 7.3940 120.4461 53.7736 44.2923 177.0448 36 P 4.3304 0.0000 0.0000 64.0476 29.3357 176.2055 37 K 4.4097 8.7987 115.1843 57.0398 35.7718 177.9042 38 L 3.9250 7.9189 118.9561 58.4991 42.2724 179.5498 39 V 3.6416 7.7453 117.6421 65.6974 31.4253 177.3175 40 E 3.8970 8.1492 118.7735 59.4614 29.5922 178.5008 41 Q 4.0115 8.4808 119.8340 58.9345 27.8709 178.5438 42 V 3.5668 7.8398 119.1041 66.0607 31.4801 177.8881 43 A 4.5755 8.0147 119.0317 55.3097 18.1290 179.3233 44 L 4.2785 8.4844 118.0374 57.7560 41.6885 178.3564 45 N 4.9244 8.2944 114.3290 53.2583 38.4974 174.0136 46 A 5.3793 7.5562 116.6856 49.9135 22.7199 175.9186 47 W 4.8835 8.7054 117.0262 54.6642 30.8696 175.3993 48 K 3.9619 8.5019 125.1065 55.1757 31.5364 175.4820 49 E 4.5287 8.4800 129.4379 55.7916 31.2598 174.8228 50 E 4.9870 8.5708 124.4890 54.8142 32.6859 174.3200 51 S 4.8640 8.9925 121.8222 56.1348 66.7021 174.3818 52 D 4.4340 8.7802 120.2845 58.0072 40.4139 178.0433 53 N 5.1176 8.0163 112.5136 53.3004 41.7263 173.1605 54 A 4.9271 8.0284 118.0072 50.2085 23.7637 175.8863 55 V 4.5282 8.7282 118.1475 61.5912 34.9391 174.1680 56 C 4.8126 8.7693 126.9000 57.7716 30.3509 173.8111 57 L 4.1049 8.5993 126.3413 54.3345 41.9879 176.8042 58 H 4.3011 8.2477 123.3309 55.1464 28.5762 174.1607 59 L 4.6658 8.8794 126.8020 53.6938 43.7739 175.8642 60 R 4.4821 8.9774 125.5889 56.0484 30.6466 177.8033 61 S 4.1366 9.1545 119.2333 60.6400 62.6804 176.0516 62 S 4.3204 8.1321 115.0404 61.1375 62.7993 174.4739 63 Q 4.5401 8.1770 120.1176 55.1839 29.5384 177.6577 64 R 3.8660 8.0510 121.6267 59.4740 30.2654 178.1873 65 H 4.3556 8.1459 112.2339 58.0135 28.7855 176.5857 66 L 4.0011 7.7906 120.5074 57.3470 41.5528 176.7527 67 N 4.4130 7.8444 117.7425 53.5234 38.9122 174.1266 68 N 5.1171 8.3443 123.1142 50.3177 41.8472 175.0545 69 R 3.9858 8.6254 121.8420 59.5740 29.6287 178.9348 70 G 3.7334 8.2353 104.9602 47.7100 0.0000 175.3675 71 A 4.0472 7.8684 122.2274 54.9922 18.6509 179.0708 72 Q 3.9438 8.1263 118.3951 59.5141 29.0818 178.8230 73 Q 3.9746 8.4700 118.9323 59.2020 28.6567 178.4749 74 K 3.9572 7.6142 122.1359 59.0100 32.2791 178.5064 75 L 3.9973 8.4448 120.9318 58.0792 41.8923 178.9466 76 A 3.9767 8.2550 120.9933 55.1505 18.3711 179.1413 77 E 3.8659 8.2960 117.6671 59.3106 29.6273 178.9663 78 A 3.9763 7.9929 120.5903 55.3241 18.5234 179.5534 79 L 4.0395 8.4625 117.8943 58.2420 41.6576 180.1032 80 S 4.6479 8.4956 116.8336 61.2148 62.5076 176.3785 81 M 4.0617 7.9859 120.3675 58.4365 32.0147 177.7628 82 L 4.0612 7.9454 119.8960 58.1284 42.8435 178.7117 83 K 4.0644 8.6880 120.0494 57.4318 31.9236 178.4919 84 G 3.9574 8.2947 105.7663 45.5963 0.0000 172.6215 85 S 4.6555 7.4435 112.5814 56.2441 66.3981 173.2952 86 T 4.0701 8.4072 117.3769 63.7766 68.2156 174.2491 87 V 4.1472 7.9956 126.8444 61.6755 32.7485 176.1950 88 E 4.3342 8.2382 127.4996 55.4987 28.7074 173.4459 89 L 4.8062 8.0106 124.5470 54.3679 43.2475 175.3878 90 T 4.9264 8.6796 121.9878 61.8086 73.1886 172.6979 91 I 4.7292 8.4249 124.2001 59.7347 39.2725 175.7162 92 V 4.3422 8.5205 120.2138 59.5073 35.1018 175.0039 93 E 4.9491 8.6283 122.5474 54.7619 31.1548 175.2030 94 D 4.7801 9.0583 125.2160 52.3806 43.6411 175.4920 95 D 4.7394 8.9428 125.2306 53.8004 40.3010 176.4889 96 N 4.3515 7.8517 119.2334 53.7019 39.5889 172.4510 97 P 4.5317 0.0000 0.0000 62.9650 31.6984 177.5408 98 A 4.0156 8.3444 123.1638 54.3565 18.4116 178.0825 99 V 4.0188 6.5034 112.8028 60.6800 34.5345 174.5388 100 R 4.3130 7.8638 123.4102 54.6868 31.5743 177.3529 101 T 4.7066 8.2470 113.3534 60.6535 71.4059 173.8335 102 P 4.8278 0.0000 0.0000 65.5032 31.3907 178.4160 103 L 3.9713 7.7577 119.3103 58.4167 42.1357 178.8354 104 E 4.0700 8.3804 118.4345 58.8825 29.3066 179.5315 105 W 4.1492 8.7923 119.6971 59.7741 28.8548 178.0892 106 R 3.9914 8.2147 118.7092 59.8486 29.4286 178.1984 107 Q 4.0772 8.1699 118.5901 59.2265 28.9946 178.0439 108 A 4.0345 8.5236 122.2968 55.0533 18.1284 179.5186 109 I 3.8444 8.3814 118.0935 64.8337 37.3910 177.7046 110 Y 4.3843 7.8303 118.8851 60.8532 38.7743 177.5654 111 E 3.9990 8.4216 119.8110 58.3275 29.7384 178.2588 112 E 4.0837 8.4496 118.4611 59.4670 29.2580 178.9973 113 K 3.9670 7.5645 119.8988 59.1612 32.2315 178.4560 114 L 4.1089 7.5798 118.4602 57.5089 41.8821 179.0047 115 A 4.0683 8.5508 121.0587 55.1847 18.3162 179.5430 116 Q 4.0619 8.6817 116.7551 59.1157 28.5820 178.7277 117 A 4.1942 7.5740 118.3921 53.6250 18.5728 178.3103 118 R 4.3554 7.5762 116.3002 57.3832 31.8197 177.0560 119 E 4.0862 8.8027 119.0771 58.3435 29.5949 178.7173 120 S 4.1327 8.0758 114.7779 61.7839 62.7454 176.5183 121 I 4.2616 7.3304 123.5182 63.3129 37.0486 178.1725 122 I 3.8733 7.5842 120.5222 64.2310 36.8762 177.9968 123 A 4.1217 8.0120 120.2536 54.6966 18.3437 178.9721 124 D 4.3291 8.0920 117.2657 54.4082 40.7612 174.9949 125 N 4.3561 7.3884 120.6960 53.0615 38.8641 173.0862 126 N 5.0780 8.5610 113.4193 54.4606 44.5707 175.9010 127 I 4.5189 7.6095 106.5320 59.9464 39.4007 174.7706 128 Q 4.1569 8.1074 126.0883 56.0828 28.9114 174.7468 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 M 8.29 4.43 0.00 2.02 1.63 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 K 9.20 3.83 0.00 1.93 1.84 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.50 7.81 3 A 8.98 4.31 1.26 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 0.00 0.00 4 L 7.44 4.46 0.00 1.65 1.69 0.94 0.77 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 5 E 8.39 3.88 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 6 H 7.81 4.80 0.00 3.21 3.52 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.26 3.91 0.00 1.92 1.99 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 2.29 2.32 0.00 8 K 8.23 3.68 0.00 1.83 1.22 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 9 T 8.47 4.50 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 10 P 0.00 4.32 0.00 2.25 2.30 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 11 E 8.00 3.92 0.00 2.02 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 2.38 2.34 0.00 12 L 7.81 3.90 0.00 1.64 1.67 0.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.81 3.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.44 3.90 0.00 2.01 1.88 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 16 L 8.35 3.98 0.00 1.73 1.85 1.18 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.20 4.03 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 18 A 7.90 3.89 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 19 E 8.04 3.84 0.00 2.19 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 2.33 2.34 0.00 20 A 7.88 3.88 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 21 I 7.77 3.72 2.03 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 0.58 0.85 0.00 0.00 22 E 8.22 4.03 0.00 2.01 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 0.00 2.28 2.30 0.00 23 R 7.06 4.06 0.00 1.60 1.15 0.00 2.96 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.30 0.00 24 D 8.02 4.53 0.00 2.13 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.39 2.33 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 26 W 8.53 4.46 0.00 3.45 3.51 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 27 A 8.41 3.72 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.76 3.84 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 29 Q 8.22 3.88 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 30 V 7.38 3.13 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.65 0.00 0.00 31 S 7.67 4.08 0.00 4.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.70 4.07 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 33 L 8.09 4.03 0.00 1.72 1.67 0.92 0.95 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 34 S 7.70 3.61 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.39 4.32 0.00 1.55 1.58 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.33 0.00 2.17 1.69 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 37 K 8.80 4.41 0.00 1.83 1.76 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 38 L 7.92 3.93 0.00 1.76 1.67 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.75 3.64 2.10 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 1.00 0.00 0.00 0.94 0.00 0.00 40 E 8.15 3.90 0.00 2.14 2.09 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 2.37 2.33 0.00 41 Q 8.48 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 42 V 7.84 3.57 2.27 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 1.08 0.00 0.00 0.99 0.00 0.00 43 A 8.01 4.58 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.28 0.00 1.96 1.78 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.29 4.92 0.00 2.91 2.85 0.00 0.00 6.97 7.27 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 46 A 7.56 5.38 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.71 4.88 0.00 3.44 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.50 3.96 0.00 0.79 1.22 0.00 1.78 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.87 0.21 7.81 49 E 8.48 4.53 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 50 E 8.57 4.99 0.00 1.91 1.74 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 2.19 2.32 0.00 51 S 8.99 4.86 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.43 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.02 5.12 0.00 2.78 2.67 0.00 0.00 6.82 8.15 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 54 A 8.03 4.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.73 4.53 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.90 0.00 0.00 56 C 8.77 4.81 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.10 0.00 1.41 1.47 0.93 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.25 4.30 0.00 1.40 2.35 0.00 5.62 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.88 4.67 0.00 1.65 1.59 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.98 4.48 0.00 1.89 1.92 0.00 3.43 0.00 0.00 3.33 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 61 S 9.15 4.14 0.00 3.86 4.01 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 62 S 8.13 4.32 0.00 3.92 3.94 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 0.00 0.00 0.00 0.00 63 Q 8.18 4.54 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 64 R 8.05 3.87 0.00 2.03 1.95 0.00 3.10 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 65 H 8.15 4.36 0.00 3.26 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.79 4.00 0.00 1.77 1.76 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.84 4.41 0.00 2.61 2.89 0.00 0.00 7.41 9.10 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 68 N 8.34 5.12 0.00 2.90 2.85 0.00 0.00 5.86 7.67 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 69 R 8.63 3.99 0.00 1.89 1.97 0.00 3.19 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 70 G 8.24 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.87 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 3.94 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 73 Q 8.47 3.97 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.37 0.00 74 K 7.61 3.96 0.00 2.08 2.00 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.50 7.81 75 L 8.44 4.00 0.00 1.98 1.81 1.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.25 3.98 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 77 E 8.30 3.87 0.00 2.16 2.11 0.00 0.00 0.00 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 2.34 0.00 78 A 7.99 3.98 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 79 L 8.46 4.04 0.00 1.93 1.81 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.50 4.65 0.00 4.05 3.92 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 81 M 7.99 4.06 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 82 L 7.95 4.06 0.00 1.69 2.00 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.69 4.06 0.00 2.02 1.98 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.52 7.81 84 G 8.29 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.44 4.66 0.00 4.07 3.94 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 0.00 0.00 0.00 0.00 86 T 8.41 4.07 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 87 V 8.00 4.15 2.10 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 0.80 0.00 0.00 1.06 0.00 0.00 88 E 8.24 4.33 0.00 1.89 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 2.30 2.38 0.00 89 L 8.01 4.81 0.00 1.63 1.57 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.68 4.93 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 91 I 8.42 4.73 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.87 0.00 0.00 92 V 8.52 4.34 1.87 0.00 0.00 0.00 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 0.43 0.00 0.00 93 E 8.63 4.95 0.00 1.76 1.87 0.00 0.00 0.00 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 2.27 0.00 94 D 9.06 4.78 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.94 4.74 0.00 2.84 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.35 0.00 2.80 3.05 0.00 0.00 7.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.53 0.00 2.19 2.22 0.00 3.75 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 2.02 1.93 0.00 98 A 8.34 4.02 1.27 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 0.00 0.00 0.00 99 V 6.50 4.02 0.67 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 0.45 0.00 0.00 -0.18 0.00 0.00 100 R 7.86 4.31 0.00 0.84 1.20 0.00 2.89 0.00 0.00 2.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.16 0.00 101 T 8.25 4.71 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 102 P 0.00 4.83 0.00 2.33 2.64 0.00 4.24 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 103 L 7.76 3.97 0.00 1.93 1.86 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.38 4.07 0.00 2.13 1.92 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 2.38 2.52 0.00 105 W 8.79 4.15 0.00 3.63 3.17 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 0.00 106 R 8.21 3.99 0.00 2.05 2.22 0.00 3.10 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 107 Q 8.17 4.08 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 108 A 8.52 4.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.38 3.84 2.19 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 2.02 1.04 1.02 0.00 0.00 110 Y 7.83 4.38 0.00 3.08 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 0.00 111 E 8.42 4.00 0.00 2.15 1.94 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 0.00 2.29 2.31 0.00 112 E 8.45 4.08 0.00 2.32 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 113 K 7.56 3.97 0.00 1.72 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.54 7.81 114 L 7.58 4.11 0.00 1.92 1.63 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.55 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.68 4.06 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 117 A 7.57 4.19 1.35 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 0.00 0.00 118 R 7.58 4.36 0.00 1.89 2.01 0.00 3.22 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 119 E 8.80 4.09 0.00 2.16 1.92 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 2.30 2.45 0.00 120 S 8.08 4.13 0.00 4.10 4.15 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 0.00 0.00 0.00 0.00 121 I 7.33 4.26 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.90 0.00 0.00 122 I 7.58 3.87 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.41 0.94 0.00 0.00 123 A 8.01 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.09 4.33 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 7.39 4.36 0.00 2.87 2.80 0.00 0.00 6.93 8.16 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 0.00 126 N 8.56 5.08 0.00 2.64 2.77 0.00 0.00 6.70 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.61 4.52 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.91 0.00 0.00 128 Q 8.11 4.16 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00