NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9446 8.3501 109.7355 45.2785 0.0000 179.4029 2 A 4.0552 7.8720 125.2654 52.8923 18.2706 176.6337 3 L 3.8900 8.8251 118.8700 56.5675 39.0986 173.0753 4 T 4.2413 8.6596 115.1675 60.8481 71.3021 174.8539 5 E 4.0073 8.5367 120.6087 59.0562 29.7321 178.4166 6 S 4.2166 7.9712 114.0547 61.0573 63.3130 176.3803 7 Q 3.9160 8.3018 121.7082 58.6706 28.3976 178.3636 8 A 3.8521 7.9681 121.4849 55.2667 18.3716 179.3149 9 A 3.9592 8.0425 119.1294 55.5735 18.3655 179.9467 10 L 3.9738 7.8897 116.9887 57.7926 41.6288 179.8184 11 V 3.5203 7.6624 119.5988 65.2744 31.3936 177.9902 12 K 3.8592 8.3396 119.5706 59.4686 32.0610 178.6904 13 S 4.1405 8.4780 113.9305 61.5123 62.4781 176.3737 14 S 4.3122 8.4259 117.0322 61.1663 62.7498 176.2569 15 W 4.4215 8.9278 132.4834 60.2327 30.2348 177.7449 16 E 3.3345 7.9940 117.6522 59.3021 29.1008 178.6550 17 E 3.9765 8.0537 119.1275 59.0500 29.7782 178.5648 18 F 3.8326 8.0886 120.6432 61.3075 39.2960 176.5244 19 N 4.1138 7.6870 114.0340 55.4027 38.6785 176.1829 20 A 4.1103 7.1973 121.1414 53.9479 19.9468 177.2068 21 N 4.6948 7.5324 115.1168 50.8539 39.4916 174.5251 22 I 3.2072 7.6144 123.7833 63.4128 37.5645 175.6980 23 P 4.3885 0.0000 0.0000 64.8726 31.0927 178.4099 24 K 3.9308 7.6628 117.8050 59.9482 32.2327 178.5730 25 H 4.2309 7.9482 116.6382 58.7190 28.5139 178.0308 26 T 4.1404 7.9252 112.0174 64.7450 68.7815 176.4385 27 H 4.2225 7.9473 119.7165 59.0478 29.9601 177.0350 28 R 3.8267 8.2016 120.5607 59.4729 29.9147 177.7459 29 F 4.2659 8.3938 121.8181 60.9753 39.4820 177.2777 30 F 3.6101 8.0859 116.8358 60.1711 38.6008 177.7095 31 I 3.6700 7.7378 119.6085 64.5503 36.9567 178.5005 32 L 3.9677 7.7632 119.6271 57.3809 41.3811 179.6268 33 V 3.3499 7.3491 118.3137 66.1625 31.2464 178.2718 34 L 4.0954 7.4951 116.3990 57.5432 41.4668 179.0589 35 E 4.1070 7.9743 118.2261 59.1529 29.3840 179.0332 36 I 4.1328 7.5490 119.1359 62.9310 38.3756 176.5053 37 A 4.5901 8.0462 123.7732 48.6327 19.6044 174.1746 38 P 4.3159 0.0000 0.0000 65.8319 31.7208 177.8320 39 A 4.0496 8.0791 118.4047 54.5730 18.2159 179.1266 40 A 4.1420 8.3236 119.4855 54.4208 18.4175 179.2888 41 K 3.8387 7.7958 118.8489 60.2967 31.9460 178.3440 42 D 4.4461 7.5545 115.5966 56.7081 40.7465 178.1749 43 L 4.0714 7.8244 118.8174 55.0029 41.7923 176.5844 44 F 4.3449 7.3872 118.8678 55.0805 39.8703 176.5126 45 S 4.0075 8.5255 121.6629 61.2832 62.6418 175.5568 46 F 4.5067 7.1599 112.9198 57.6417 38.5899 175.5370 47 L 4.4140 7.8113 121.7147 56.6093 42.8017 176.6957 48 K 3.9330 7.6926 115.0293 57.8431 32.1754 177.1346 49 G 3.9530 8.9345 111.5799 45.6700 0.0000 173.5779 50 T 4.2951 8.0671 109.8792 61.0608 70.1297 174.9351 51 S 4.3545 8.5944 116.1785 60.1404 62.8858 173.7377 52 E 4.7736 7.6287 116.1952 53.6961 32.7861 175.6775 53 V 3.7193 8.2535 120.7881 61.9737 31.9525 174.2318 54 P 4.4079 0.0000 0.0000 63.3526 31.6091 176.0972 55 Q 4.2532 8.5285 118.7411 56.9972 29.9390 175.6343 56 N 5.1098 7.7661 114.1061 51.9919 39.6337 174.7065 57 N 4.7650 7.8547 116.9968 51.5210 40.8640 172.2157 58 P 4.2581 0.0000 0.0000 65.6468 31.5625 178.5182 59 E 3.8472 8.0509 118.1499 59.1074 29.5733 178.4408 60 L 2.4400 7.6693 120.3122 57.8468 41.9688 178.8985 61 Q 4.0039 7.9895 117.3980 59.1498 28.7883 178.9595 62 A 4.1723 8.3037 121.9446 55.4393 18.3889 178.9489 63 H 4.1592 8.4452 116.5398 59.5861 30.0556 177.3469 64 A 4.4016 8.7853 122.6349 55.0810 18.3208 179.6764 65 G 3.9414 8.5179 104.3100 48.2633 0.0000 175.9675 66 K 4.1386 8.2122 121.2945 58.9698 32.0865 179.5506 67 V 3.6144 8.0902 118.4086 66.2132 31.5057 178.1499 68 F 4.0013 8.3670 117.4562 60.4554 38.6180 177.6733 69 K 3.8358 8.5830 119.3353 59.4109 31.9937 178.9480 70 L 3.8993 8.0858 119.5057 57.5578 41.5062 179.6413 71 V 3.5489 7.8228 118.2722 66.0505 31.5513 177.4089 72 Y 3.6827 8.0595 119.2972 60.7273 38.5734 178.0761 73 E 3.1524 7.8857 119.2991 58.7689 29.4151 179.1175 74 A 3.8175 8.2221 121.1856 54.8412 18.2636 179.3559 75 A 3.7689 7.5264 119.2107 55.4573 18.3626 179.9996 76 I 3.5191 7.2140 118.0331 64.5266 37.0788 178.5526 77 Q 3.8438 7.9374 120.3587 59.0996 28.6921 178.2774 78 L 4.1561 7.9576 121.4796 56.9246 41.3345 179.0568 79 E 4.0445 7.5009 118.8694 59.0676 29.7313 178.5522 80 V 3.7359 7.8769 117.7691 65.2798 31.7074 176.6149 81 T 4.2502 8.3646 107.2798 60.8433 70.2958 175.4957 82 G 3.8976 8.7271 108.9832 45.2142 0.0000 172.5565 83 V 4.4049 7.6144 112.0092 59.8623 35.9589 173.6727 84 V 4.0891 8.0165 119.9360 61.0840 32.7644 174.9942 85 V 3.7374 8.1671 127.3327 62.5321 32.0541 175.5350 86 T 4.1704 8.3981 124.5949 63.0543 68.0397 173.7910 87 D 5.0264 8.0819 128.9308 51.7310 43.4155 176.0560 88 A 4.0367 8.3761 119.3607 55.8138 18.4827 179.9024 89 T 3.8484 7.8845 114.0038 66.8592 68.4769 176.4088 90 L 4.1804 8.3500 120.4506 56.9793 41.7616 179.5642 91 K 3.9596 7.9952 118.9127 59.4246 31.9696 178.8036 92 N 4.3301 8.5900 117.7601 56.7384 38.8791 176.9687 93 L 4.1869 7.9664 120.2348 57.5084 41.7378 179.7129 94 G 3.6822 8.3683 106.4339 47.7163 0.0000 175.9584 95 S 4.1097 8.0792 116.9359 61.1314 63.0222 176.2531 96 V 3.5513 7.8575 122.6339 66.2526 31.1680 177.7622 97 H 4.1221 8.2662 115.4372 58.7266 28.5445 177.9653 98 V 3.6421 7.8140 119.8716 66.2496 31.1330 178.1529 99 S 4.1844 8.0901 113.7688 61.2735 62.7304 175.9453 100 K 4.3657 7.6547 117.9844 55.4553 32.0934 176.7385 101 G 3.7919 7.7873 106.6699 46.6076 0.0000 174.3909 102 V 3.8695 7.7497 118.5643 61.6839 32.6276 174.7243 103 A 4.9846 8.5122 127.3963 50.0039 22.7904 176.5003 104 D 4.5297 9.0672 118.8191 57.8847 40.8121 179.1663 105 A 4.3654 7.9717 117.8967 53.8064 18.7622 178.2722 106 H 4.5510 8.5887 114.0791 58.0501 28.7879 177.5695 107 F 4.2724 8.4776 119.9436 60.1363 38.6978 175.7996 108 P 4.3505 0.0000 0.0000 65.1237 31.1904 178.7861 109 V 3.5464 7.7173 116.9659 66.1699 31.4305 178.3679 110 V 3.6541 7.7845 117.4499 65.5209 31.3542 177.3923 111 K 2.8107 7.9219 119.5683 59.5195 31.8409 178.5153 112 E 3.8738 8.1003 118.2542 59.3235 29.3394 179.3817 113 A 3.9724 7.9222 120.7236 55.0235 18.4114 179.7349 114 I 3.6117 8.0738 118.6940 64.5480 37.1857 178.6610 115 L 3.9518 8.0079 119.9242 57.7932 41.4375 179.8391 116 K 3.9918 8.4142 118.7632 59.5091 31.4964 179.3333 117 T 3.8637 8.1142 116.0925 66.9605 68.3994 176.3316 118 I 3.5973 7.8170 121.3341 64.3736 37.2151 178.2389 119 K 3.9740 7.9999 120.1236 59.7420 31.7327 178.7094 120 E 3.9217 7.8627 117.3655 59.2361 29.4632 178.9879 121 V 3.6243 7.6974 117.3740 66.1588 32.0575 178.0188 122 V 3.9861 8.3217 110.6227 61.6395 32.1395 177.4940 123 G 3.7167 8.6058 107.7674 46.3711 0.0000 176.1918 124 A 4.2590 8.7241 125.9927 53.8559 18.3659 178.2779 125 K 4.2708 7.8563 114.0805 56.6949 32.5976 177.4293 126 W 4.2717 7.9337 129.8346 57.7513 31.3114 175.3185 127 S 4.2949 6.9855 117.6719 55.5697 66.9868 174.9714 128 E 3.5283 8.1217 121.1185 59.3739 29.1744 179.1993 129 E 3.8393 7.8641 118.8237 58.9810 29.7118 178.4130 130 L 3.9411 7.4745 119.9681 58.1285 42.1429 178.4927 131 N 4.4276 7.6288 116.7605 56.8837 38.8602 176.8821 132 S 4.1431 8.1989 116.3250 61.5182 62.9509 176.4822 133 A 3.9574 8.0733 123.2171 55.2626 18.1887 179.8347 134 W 4.1442 8.4075 117.1999 59.9927 29.0255 179.0507 135 T 4.0045 8.3402 115.9558 66.6921 67.8906 176.7214 136 I 3.7066 8.1242 121.6567 64.2823 37.1768 178.1102 137 A 3.9221 7.9809 121.5376 55.4329 18.0962 178.9007 138 Y 3.9198 8.2330 117.6583 61.1279 38.9593 177.9551 139 D 4.4770 8.4669 119.7028 57.6738 40.7779 178.9390 140 E 3.9392 8.4151 119.0311 59.0849 29.3729 179.1022 141 L 3.8312 7.8640 120.1997 58.1002 42.1844 178.8397 142 A 3.6740 7.9111 120.9414 55.0309 18.2279 179.5394 143 I 3.4694 7.5842 118.2378 64.5524 37.1806 178.8558 144 V 3.5108 7.3552 118.8247 66.0354 31.4556 178.1656 145 I 3.7046 7.8385 119.7633 64.3357 36.8612 178.6334 146 K 3.8562 8.2471 119.7459 59.0655 31.6687 179.3719 147 K 3.9104 7.8895 120.0614 59.4898 32.1239 178.6036 148 E 4.0638 8.2130 118.1790 58.6390 29.1619 179.2041 149 M 4.0545 7.5855 118.5846 58.3700 32.2532 177.6822 150 D 4.4669 8.1627 117.1613 57.5504 41.4532 177.7463 151 D 4.5042 8.2988 118.5354 56.6146 41.2288 177.2073 152 A 4.3690 9.0810 120.6370 57.5962 19.6362 177.1304 153 A 4.1361 7.0864 130.0014 52.5188 18.7118 177.9164 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 G 8.35 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 0.00 0.00 0.00 2 A 7.87 4.06 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 3 L 8.83 3.89 0.00 1.70 1.91 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.66 4.24 4.22 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 1.27 0.00 0.00 5 E 8.54 4.01 0.00 2.04 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 2.37 2.35 0.00 6 S 7.97 4.22 0.00 4.08 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 7 Q 8.30 3.92 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 8 A 7.97 3.85 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.04 3.96 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 10 L 7.89 3.97 0.00 1.94 1.77 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.66 3.52 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 0.28 0.00 0.00 0.36 0.00 0.00 12 K 8.34 3.86 0.00 2.11 2.04 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 13 S 8.48 4.14 0.00 4.07 3.91 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 0.00 0.00 0.00 14 S 8.43 4.31 0.00 4.42 4.43 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 15 W 8.93 4.42 0.00 3.65 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 16 E 7.99 3.33 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 2.36 2.62 0.00 17 E 8.05 3.98 0.00 2.21 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 2.28 2.29 0.00 18 F 8.09 3.83 0.00 2.96 2.95 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 19 N 7.69 4.11 0.00 1.77 2.24 0.00 0.00 7.29 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.20 4.11 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 21 N 7.53 4.69 0.00 2.50 2.08 0.00 0.00 7.05 7.38 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 22 I 7.61 3.21 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.83 0.83 0.00 0.00 23 P 0.00 4.39 0.00 2.05 2.14 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 24 K 7.66 3.93 0.00 1.66 1.43 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 25 H 7.95 4.23 0.00 2.24 2.91 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.93 4.14 4.46 0.00 0.00 0.00 0.00 0.00 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 27 H 7.95 4.22 0.00 3.37 3.63 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.20 3.83 0.00 2.08 2.14 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 29 F 8.39 4.27 0.00 3.31 3.38 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 30 F 8.09 3.61 0.00 3.21 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.67 1.96 0.00 0.00 0.81 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 0.66 0.87 0.00 0.00 32 L 7.76 3.97 0.00 1.75 1.64 0.99 0.81 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 33 V 7.35 3.35 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 0.99 0.00 0.00 -0.07 0.00 0.00 34 L 7.50 4.10 0.00 1.82 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.97 4.11 0.00 2.03 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 2.28 2.49 0.00 36 I 7.55 4.13 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.90 0.00 0.00 37 A 8.05 4.59 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 38 P 0.00 4.32 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 39 A 8.08 4.05 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 40 A 8.32 4.14 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.80 3.84 0.00 1.90 1.87 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.52 7.81 42 D 7.55 4.45 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.82 4.07 0.00 0.68 1.13 0.61 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.39 4.34 0.00 2.51 1.48 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 45 S 8.53 4.01 0.00 3.98 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 46 F 7.16 4.51 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.41 0.00 1.69 1.65 0.67 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.69 3.93 0.00 1.70 1.75 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.58 7.81 49 G 8.93 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 0.00 0.00 0.00 50 T 8.07 4.30 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 1.26 0.00 0.00 51 S 8.59 4.35 0.00 3.85 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 52 E 7.63 4.77 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 53 V 8.25 3.72 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 0.95 0.00 0.00 54 P 0.00 4.41 0.00 2.22 2.06 0.00 3.83 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 2.01 2.03 0.00 55 Q 8.53 4.25 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.53 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 56 N 7.77 5.11 0.00 2.60 2.71 0.00 0.00 6.75 8.00 0.00 0.00 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 N 7.85 4.77 0.00 2.71 2.59 0.00 0.00 6.81 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.26 0.00 2.29 2.27 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 59 E 8.05 3.85 0.00 2.12 1.84 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 2.45 2.39 0.00 60 L 7.67 2.44 0.00 1.03 1.56 0.82 1.11 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 61 Q 7.99 4.00 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 62 A 8.30 4.17 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 63 H 8.45 4.16 0.00 3.50 3.62 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.79 4.40 1.75 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 0.00 0.00 65 G 8.52 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 0.00 0.00 0.00 66 K 8.21 4.14 0.00 2.09 1.96 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.68 7.81 67 V 8.09 3.61 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.17 0.00 0.00 68 F 8.37 4.00 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 3.84 0.00 2.13 1.91 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.12 7.81 70 L 8.09 3.90 0.00 1.75 1.66 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.82 3.55 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 1.25 0.00 0.00 1.08 0.00 0.00 72 Y 8.06 3.68 0.00 2.89 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 73 E 7.89 3.15 0.00 1.93 1.67 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 1.82 1.85 0.00 74 A 8.22 3.82 1.24 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 0.00 0.00 0.00 75 A 7.53 3.77 1.10 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 76 I 7.21 3.52 1.55 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.79 0.00 0.00 77 Q 7.94 3.84 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 78 L 7.96 4.16 0.00 1.80 1.64 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.50 4.04 0.00 1.96 2.05 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 2.45 2.54 0.00 80 V 7.88 3.74 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 0.87 0.00 0.00 nan 0.00 0.00 81 T 8.36 4.25 4.20 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 1.16 0.00 0.00 82 G 8.73 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 0.00 0.00 0.00 83 V 7.61 4.40 2.04 0.00 0.00 0.00 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 0.89 0.00 0.00 84 V 8.02 4.09 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 0.71 0.00 0.00 0.85 0.00 0.00 85 V 8.17 3.74 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 86 T 8.40 4.17 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 1.23 0.00 0.00 87 D 8.08 5.03 0.00 2.82 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 88 A 8.38 4.04 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 89 T 7.88 3.85 4.61 0.00 0.00 0.00 0.00 0.00 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 90 L 8.35 4.18 0.00 1.69 1.69 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.00 3.96 0.00 2.01 1.86 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.58 7.81 92 N 8.59 4.33 0.00 2.97 3.00 0.00 0.00 7.27 6.27 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 93 L 7.97 4.19 0.00 2.00 1.85 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.37 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.11 0.00 4.11 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 96 V 7.86 3.55 2.20 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 0.94 0.00 0.00 0.96 0.00 0.00 97 H 8.27 4.12 0.00 3.41 3.43 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.81 3.64 2.24 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 1.05 0.00 0.00 1.01 0.00 0.00 99 S 8.09 4.18 0.00 4.03 3.91 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 0.00 0.00 0.00 100 K 7.65 4.37 0.00 1.57 1.69 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.49 7.81 101 G 7.79 3.79 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 0.00 0.00 0.00 102 V 7.75 3.87 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 0.68 0.00 0.00 0.83 0.00 0.00 103 A 8.51 4.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.07 4.53 0.00 2.84 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 0.00 105 A 7.97 4.37 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.59 4.55 0.00 3.38 3.26 0.00 5.82 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 0.00 107 F 8.48 4.27 0.00 3.42 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.35 0.00 2.21 2.15 0.00 3.87 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 109 V 7.72 3.55 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 1.00 0.00 0.00 1.01 0.00 0.00 110 V 7.78 3.65 2.21 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 1.34 0.00 0.00 1.05 0.00 0.00 111 K 7.92 2.81 0.00 1.17 1.74 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.04 7.81 112 E 8.10 3.87 0.00 2.00 1.95 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 2.49 2.46 0.00 113 A 7.92 3.97 1.24 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 0.00 0.00 0.00 114 I 8.07 3.61 1.71 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.61 0.49 0.00 0.00 115 L 8.01 3.95 0.00 1.67 1.78 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.41 3.99 0.00 1.77 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.70 7.81 117 T 8.11 3.86 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 118 I 7.82 3.60 1.55 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.78 0.00 0.00 119 K 8.00 3.97 0.00 1.83 1.85 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.49 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.07 0.76 7.81 120 E 7.86 3.92 0.00 2.11 1.97 0.00 0.00 0.00 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 0.00 121 V 7.70 3.62 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 0.77 0.00 0.00 0.67 0.00 0.00 122 V 8.32 3.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.26 0.00 0.00 123 G 8.61 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 0.00 0.00 0.00 124 A 8.72 4.26 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 0.00 125 K 7.86 4.27 0.00 2.02 1.92 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.42 7.81 126 W 7.93 4.27 0.00 3.40 3.19 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 0.00 127 S 6.99 4.29 0.00 3.81 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 0.00 128 E 8.12 3.53 0.00 1.89 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 2.41 2.33 0.00 129 E 7.86 3.84 0.00 2.00 1.84 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 2.33 2.38 0.00 130 L 7.47 3.94 0.00 1.73 1.46 1.22 0.37 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 0.00 131 N 7.63 4.43 0.00 2.90 2.88 0.00 0.00 7.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.20 4.14 0.00 4.03 3.91 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 0.00 0.00 0.00 133 A 8.07 3.96 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 0.00 134 W 8.41 4.14 0.00 3.46 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.34 4.00 4.50 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 0.00 0.00 1.32 0.00 0.00 136 I 8.12 3.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.90 0.00 0.00 137 A 7.98 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.23 3.92 0.00 3.25 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 0.00 139 D 8.47 4.48 0.00 3.02 2.76 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 0.00 0.00 0.00 140 E 8.42 3.94 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 141 L 7.86 3.83 0.00 1.71 1.62 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.91 3.67 1.10 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 0.00 143 I 7.58 3.47 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.84 0.00 0.00 144 V 7.36 3.51 2.14 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 0.98 0.00 0.00 0.86 0.00 0.00 145 I 7.84 3.70 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 1.04 0.00 0.00 146 K 8.25 3.86 0.00 1.56 1.67 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 0.51 7.81 147 K 7.89 3.91 0.00 1.89 1.95 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.58 7.81 148 E 8.21 4.06 0.00 2.20 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 2.49 2.48 0.00 149 M 7.59 4.05 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.78 0.00 150 D 8.16 4.47 0.00 2.66 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 0.00 151 D 8.30 4.50 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 9.08 4.37 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 0.00 153 A 7.09 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00