NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4171 8.3344 115.4132 57.7844 64.3278 173.8531 4 K 3.8083 7.8794 120.8530 56.9352 33.0830 173.8457 5 I 4.3973 8.2578 126.1777 59.3118 39.8264 174.4739 6 E 4.0803 8.6180 126.7642 55.2238 30.2319 175.6464 7 Q 3.8055 8.4769 127.8087 54.9131 29.6233 173.9436 8 P 3.8362 0.0000 0.0000 62.1242 31.6942 177.6354 9 R 3.7959 8.0149 119.2552 58.6873 30.0737 177.6381 10 W 4.5981 7.1215 112.0011 55.9322 28.8266 176.2528 11 A 4.0832 7.0241 122.8901 52.6098 18.1958 177.7193 12 S 4.2891 9.1063 116.8608 58.6691 63.0123 173.9724 13 K 4.3134 8.5235 124.8043 56.2579 32.3825 175.9342 14 D 4.6320 8.1649 121.0680 53.1840 41.3120 176.9814 15 S 4.1838 8.8887 123.9943 61.8941 62.6501 176.5979 16 A 4.0741 8.0371 122.4687 54.8053 17.9712 179.4376 17 A 4.1410 8.3471 119.8273 54.5880 18.2116 178.9674 18 G 4.0343 7.7557 100.6274 43.1560 0.0000 173.3053 19 A 4.7621 6.9765 122.8861 49.4902 21.9187 176.0906 20 A 4.2403 8.5482 123.8820 52.6329 18.7695 177.9355 21 S 4.7344 9.2250 118.3932 58.3134 64.4916 174.5189 22 T 4.7519 7.3265 110.4570 58.2981 73.1803 172.5748 23 P 4.2239 0.0000 0.0000 66.1449 31.3772 178.6993 24 D 4.3342 8.0173 116.9232 57.4390 40.7720 178.5736 25 E 3.9420 8.2845 119.0703 59.1902 29.4112 179.5722 26 K 3.9707 8.0360 118.7197 59.3910 32.0204 179.5026 27 I 3.8874 7.5878 119.7052 64.2321 36.7845 178.4571 28 V 3.1282 7.3360 118.0205 66.0458 31.3015 177.8443 29 L 3.9904 7.4915 117.2184 57.6167 41.6720 178.9961 30 E 4.1433 8.2119 118.7151 59.1282 29.2713 179.9454 31 F 3.4442 8.0738 119.5862 58.3493 38.8788 176.5471 *33 D 4.4119 8.1681 118.3703 53.7659 42.7231 177.9108 34 A 3.7465 7.6309 120.4888 54.6904 18.2124 179.4312 35 L 3.7858 7.3299 117.9762 58.0891 41.4278 179.2012 36 T 4.4952 7.4045 108.8605 62.7528 68.8171 176.2469 37 S 4.0715 8.0204 117.6375 59.4291 63.0285 173.7473 38 N 3.1400 7.3749 117.9937 53.3663 36.6356 174.5040 39 D 4.5737 7.0652 116.4100 51.7298 43.1071 174.4389 40 A 4.2266 8.5983 129.5015 55.0041 18.3826 178.6493 41 A 4.1338 8.1063 118.0464 55.1782 18.6740 179.4017 42 K 4.1106 8.2151 117.5884 59.8428 32.3926 179.2418 43 L 4.5350 8.3325 119.3330 57.8196 41.5496 179.2551 44 I 3.9768 8.2683 118.5515 63.7670 37.6400 177.6270 45 E 4.0716 8.0497 118.5431 59.3529 29.5282 178.3105 46 Y 3.9568 8.4694 116.3630 58.8103 37.9417 175.3492 47 F 4.8585 7.7784 118.5524 55.3880 40.6970 175.7337 48 A 4.3373 8.2758 127.3326 51.8895 19.0828 177.6895 49 E 4.1654 8.9041 119.0178 59.3060 30.7207 176.7675 50 D 4.9233 7.9988 119.9371 53.9745 41.6993 175.5748 51 T 5.0663 7.9225 119.8541 62.4734 71.1588 170.5892 *53 Y 5.0904 8.3796 119.7210 57.9762 40.6129 175.1662 54 Q 3.9915 8.3099 126.7556 54.8485 32.9818 174.3963 55 N 4.5746 7.5131 124.5559 52.0339 40.7463 173.3233 *57 P 4.2417 0.0000 0.0000 62.5512 33.2660 176.0276 58 L 4.7939 7.5712 117.0568 51.5516 45.2566 174.5497 59 P 4.3296 0.0000 0.0000 61.9951 31.8273 174.8689 60 P 4.5073 0.0000 0.0000 62.6530 32.5579 175.0489 61 A 4.7475 8.3039 123.2294 50.4923 20.7034 175.6066 62 Y 4.5523 8.9302 120.3779 57.2338 40.5009 176.5365 63 G 4.1526 9.4549 110.6508 46.0829 0.0000 174.3898 64 R 3.8799 8.3423 121.1505 59.3485 29.9432 179.0353 65 D 4.3040 8.0887 117.9805 57.3247 40.9668 178.3447 66 A 3.9824 7.9895 120.8060 55.0602 18.3097 179.7477 67 V 3.5209 7.8038 116.7472 66.1382 31.5508 177.9026 68 E 3.8468 8.3042 119.3188 59.4348 29.4628 178.8241 69 Q 4.0033 8.3371 118.2588 59.0690 28.6375 178.9284 70 T 3.8408 8.0521 116.8044 66.6138 68.4844 176.6799 71 L 3.7466 8.1140 120.8184 57.8133 41.4358 179.4821 72 A 4.2386 8.1597 119.7582 55.0893 18.6584 179.6854 73 G 3.6827 8.0893 104.1419 47.9748 0.0000 175.8869 74 L 3.9702 7.9800 122.0836 57.4373 41.4597 179.1659 75 F 4.8111 7.8842 114.7750 59.2440 39.0431 177.2648 76 T 4.2577 7.8001 115.6048 65.2996 68.5137 175.6226 77 V 4.1850 7.4863 112.5255 61.2611 32.3324 174.6240 *79 S 4.6665 7.7157 115.0041 58.2872 63.8854 172.7792 80 I 4.5125 9.1458 128.3560 60.9890 36.9326 176.1164 81 D 4.5946 9.1874 128.6148 56.4016 41.6599 176.8949 82 A 4.5567 7.5156 117.4076 50.9157 22.6721 175.3782 83 V 4.6785 8.2157 119.0230 61.0525 34.5234 174.2017 84 E 4.4588 9.0289 128.7974 54.5482 32.4371 174.4426 85 T 4.4353 8.1485 123.5454 61.9624 69.2351 174.3256 86 F 4.5666 8.1793 127.1201 60.3117 40.2014 175.7255 87 H 5.4467 8.2422 114.1500 54.1916 33.0869 172.5473 88 I 5.5046 8.5020 122.1177 59.2067 41.3739 174.0183 89 G 4.4657 8.7333 114.4095 46.0296 0.0000 171.1538 90 S 5.4340 8.3569 112.6453 58.0036 65.8129 174.2606 91 S 4.5584 9.3247 114.6914 59.1848 67.0245 175.2956 92 N 4.3330 9.7514 120.0160 54.6017 34.3066 175.3823 93 G 3.9629 8.4984 104.2280 45.3346 0.0000 173.1174 94 L 5.0484 7.9514 119.5535 52.5719 45.0365 175.4802 95 V 4.7693 8.5456 123.3144 61.4420 33.9077 173.8658 96 Y 5.4563 9.2529 125.7430 56.4546 41.0282 174.7502 97 T 5.1989 9.4926 113.4347 59.9806 72.3865 172.1336 98 E 5.2411 9.4759 127.5723 54.7129 31.6493 174.8050 99 R 4.7473 9.4150 123.2532 54.9860 34.0709 173.4938 100 V 4.8585 8.3335 118.2665 61.2528 34.4846 173.7657 101 D 5.1813 8.7824 127.5014 52.5825 43.4236 175.4940 102 V 4.3688 8.7728 124.4494 61.9368 32.8111 174.4266 103 L 5.2711 8.8337 128.5770 52.8912 44.4952 175.5305 104 R 5.1212 8.8404 123.4667 54.3402 32.6507 174.7421 105 A 4.4121 9.1403 129.2637 51.7336 17.6739 178.4632 106 L 4.0097 9.1493 123.8621 57.3192 42.0447 178.0507 107 P 4.5808 0.0000 0.0000 64.7479 31.3504 176.9364 108 T 4.3744 7.1933 104.1720 60.1407 70.1075 175.2049 109 G 3.9234 8.0975 109.4749 45.7895 0.0000 173.5855 110 K 4.5203 7.7241 119.2873 55.6201 33.7224 176.1458 111 S 5.5177 8.6179 118.5725 57.3162 66.4036 172.7838 112 Y 4.9130 8.9468 121.8537 56.5064 42.6519 173.5992 113 N 4.8245 8.0982 123.8279 52.2121 39.5410 174.0895 114 L 4.4761 8.4598 127.7638 53.4737 43.8171 175.5099 115 S 5.0928 8.7457 123.1114 58.3572 63.8540 173.7677 116 I 5.0986 9.1636 125.1806 59.4339 41.4963 173.9604 117 L 5.3132 9.0757 127.8542 53.3891 44.5773 175.4140 118 G 5.1052 9.8845 112.8261 43.3202 0.0000 171.5284 119 V 5.1552 8.9525 120.2314 59.6827 34.9934 174.5202 120 F 5.2713 9.2121 121.1400 55.7861 43.2019 173.3868 121 Q 5.0126 9.3096 124.4988 54.2748 31.3724 173.9674 122 L 5.2379 8.0158 124.2980 53.1965 44.7184 176.1545 123 T 4.4403 8.8482 120.1879 62.7750 70.8116 174.2073 124 E 3.8714 9.9981 127.4307 57.4283 27.1856 176.0038 125 G 3.9091 8.4085 104.0122 45.3718 0.0000 173.7863 126 K 4.6159 7.5958 119.0947 54.1013 34.7860 175.3680 127 I 4.3558 8.4780 124.3028 61.6615 37.6121 176.5885 128 T 4.5369 9.3322 117.6927 62.0556 70.7134 174.5619 129 G 4.5192 7.8136 108.3474 45.1180 0.0000 172.2476 130 W 5.6717 8.7485 133.0784 55.9825 34.3562 173.4398 131 R 4.8067 9.3248 126.3133 54.4873 33.2239 173.9512 132 D 5.4041 8.4751 124.0037 52.7576 43.7640 174.8160 133 Y 4.6448 8.9189 121.5152 56.2552 40.5092 174.9355 134 F 4.9001 7.8895 117.1458 56.8266 41.1217 172.3562 135 D 4.7460 8.5462 118.7609 53.1093 42.1225 176.5766 136 L 4.2851 8.5602 128.1960 57.8923 42.3137 178.4927 137 R 3.8918 8.0198 118.5842 59.3970 30.0834 178.1319 138 E 3.8888 8.6691 117.4348 59.2391 29.5529 179.0247 139 F 3.4676 7.5833 120.4918 61.0031 39.6265 176.8503 140 E 3.7311 8.0026 119.5119 58.8666 29.0266 179.4200 141 E 3.9013 8.0187 117.1481 59.0930 29.5605 178.8809 142 A 4.1042 7.5343 120.0970 54.4841 18.5612 179.1561 143 V 4.1081 7.1556 106.7701 59.9623 32.8793 175.3834 144 D 4.2377 7.9553 117.3036 55.3915 38.1543 174.8907 145 L 4.4710 7.1861 120.5740 52.4732 43.3594 173.0215 146 P 4.9219 0.0000 0.0000 61.5031 29.4881 176.0289 147 L 4.0026 7.9581 127.4755 58.7855 42.7281 177.7264 148 R 4.0985 8.6632 117.0658 58.3536 30.7250 176.1273 149 G 3.9987 8.0365 109.6910 45.6386 0.0000 172.8751 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 3 S 8.33 4.42 0.00 3.99 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 4 K 7.88 3.81 0.00 1.81 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.51 7.81 5 I 8.26 4.40 1.88 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 1.28 0.74 1.02 0.00 0.00 6 E 8.62 4.08 0.00 1.86 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 2.21 2.29 0.00 7 Q 8.48 3.81 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 8 P 0.00 3.84 0.00 0.49 0.51 0.00 2.69 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 9 R 8.01 3.80 0.00 1.77 2.02 0.00 3.16 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 10 W 7.12 4.60 0.00 3.45 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 11 A 7.02 4.08 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.11 4.29 0.00 3.85 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 13 K 8.52 4.31 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 14 D 8.16 4.63 0.00 2.70 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 15 S 8.89 4.18 0.00 3.92 3.93 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 0.00 0.00 0.00 16 A 8.04 4.07 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 17 A 8.35 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 18 G 7.76 4.03 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 0.00 0.00 0.00 19 A 6.98 4.76 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 20 A 8.55 4.24 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 S 9.22 4.73 0.00 3.84 3.88 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 0.00 0.00 0.00 0.00 22 T 7.33 4.75 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 1.28 0.00 0.00 23 P 0.00 4.22 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 24 D 8.02 4.33 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 25 E 8.28 3.94 0.00 2.14 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 2.32 2.34 0.00 26 K 8.04 3.97 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.64 7.81 27 I 7.59 3.89 1.92 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 1.39 0.63 0.91 0.00 0.00 28 V 7.34 3.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.39 0.00 0.00 29 L 7.49 3.99 0.00 1.60 1.64 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.21 4.14 0.00 2.31 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 0.00 2.35 2.44 0.00 31 F 8.07 3.44 0.00 2.28 2.65 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 0.00 0.00 0.00 0.00 *33 D 8.17 4.41 0.00 2.90 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 34 A 7.63 3.75 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 35 L 7.33 3.79 0.00 1.49 1.72 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.40 4.50 4.18 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 1.18 0.00 0.00 37 S 8.02 4.07 0.00 3.94 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 38 N 7.37 3.14 0.00 2.60 2.51 0.00 0.00 6.69 8.13 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 39 D 7.07 4.57 0.00 2.67 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.23 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 41 A 8.11 4.13 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 42 K 8.22 4.11 0.00 1.88 2.05 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.55 7.81 43 L 8.33 4.53 0.00 2.03 2.20 1.12 0.60 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 44 I 8.27 3.98 2.06 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.26 1.04 0.00 0.00 45 E 8.05 4.07 0.00 1.99 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 2.66 2.50 0.00 46 Y 8.47 3.96 0.00 2.86 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 0.00 0.00 0.00 0.00 47 F 7.78 4.86 0.00 3.14 3.05 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 48 A 8.28 4.34 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 49 E 8.90 4.17 0.00 1.98 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 2.43 2.38 0.00 50 D 8.00 4.92 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.92 5.07 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 *53 Y 8.38 5.09 0.00 3.14 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 54 Q 8.31 3.99 0.00 1.79 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.45 0.00 0.00 0.00 0.00 0.00 1.87 2.09 0.00 55 N 7.51 4.57 0.00 2.54 2.76 0.00 0.00 7.11 8.03 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 *57 P 0.00 4.24 0.00 1.86 1.96 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.67 0.00 58 L 7.57 4.79 0.00 1.46 1.41 0.90 0.89 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 59 P 0.00 4.33 0.00 1.98 1.95 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 60 P 0.00 4.51 0.00 1.85 2.10 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 61 A 8.30 4.75 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 62 Y 8.93 4.55 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.45 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 0.00 0.00 0.00 64 R 8.34 3.88 0.00 2.19 1.98 0.00 3.31 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 65 D 8.09 4.30 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 66 A 7.99 3.98 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 67 V 7.80 3.52 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 0.43 0.00 0.00 0.98 0.00 0.00 68 E 8.30 3.85 0.00 2.10 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 0.00 2.33 2.37 0.00 69 Q 8.34 4.00 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 70 T 8.05 3.84 4.49 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 1.23 0.00 0.00 71 L 8.11 3.75 0.00 1.85 1.80 0.87 0.72 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 72 A 8.16 4.24 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 73 G 8.09 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 74 L 7.98 3.97 0.00 1.41 1.48 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.88 4.81 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.26 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 1.25 0.00 0.00 77 V 7.49 4.19 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 0.75 0.00 0.00 0.98 0.00 0.00 *79 S 7.72 4.67 0.00 3.99 3.83 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 0.00 0.00 0.00 80 I 9.15 4.51 1.96 0.00 0.00 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 1.31 1.27 0.92 0.00 0.00 81 D 9.19 4.59 0.00 2.54 2.72 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 82 A 7.52 4.56 1.16 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 0.00 0.00 83 V 8.22 4.68 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 0.80 0.00 0.00 0.87 0.00 0.00 84 E 9.03 4.46 0.00 1.88 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 1.54 2.01 0.00 85 T 8.15 4.44 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 1.23 0.00 0.00 86 F 8.18 4.57 0.00 2.97 2.84 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 87 H 8.24 5.45 0.00 3.23 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.50 5.50 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.49 0.94 0.00 0.00 89 G 8.73 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 5.43 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 9.32 4.56 0.00 4.01 3.80 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 92 N 9.75 4.33 0.00 2.95 2.96 0.00 0.00 7.08 7.65 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 93 G 8.50 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 94 L 7.95 5.05 0.00 1.58 1.09 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.55 4.77 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 1.06 0.00 0.00 0.89 0.00 0.00 96 Y 9.25 5.46 0.00 3.07 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 97 T 9.49 5.20 4.37 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 1.26 0.00 0.00 98 E 9.48 5.24 0.00 2.27 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 0.00 2.70 2.44 0.00 99 R 9.41 4.75 0.00 1.82 1.87 0.00 2.78 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 100 V 8.33 4.86 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 1.02 0.00 0.00 1.20 0.00 0.00 101 D 8.78 5.18 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.37 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 1.02 0.00 0.00 0.95 0.00 0.00 103 L 8.83 5.27 0.00 1.57 1.54 -0.02 0.48 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 0.00 104 R 8.84 5.12 0.00 1.93 1.84 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 105 A 9.14 4.41 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 0.00 106 L 9.15 4.01 0.00 1.75 1.76 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.58 0.00 2.03 2.11 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 108 T 7.19 4.37 4.23 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 1.28 0.00 0.00 109 G 8.10 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 0.00 0.00 0.00 110 K 7.72 4.52 0.00 1.78 1.77 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 111 S 8.62 5.52 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.95 4.91 0.00 3.19 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 0.00 113 N 8.10 4.82 0.00 2.35 2.61 0.00 0.00 6.86 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.46 4.48 0.00 1.59 1.39 1.11 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.75 5.09 0.00 3.96 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 0.00 116 I 9.16 5.10 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.84 1.19 0.00 0.00 117 L 9.08 5.31 0.00 1.85 1.59 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 G 9.88 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.95 5.16 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 0.99 0.00 0.00 0.53 0.00 0.00 120 F 9.21 5.27 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 9.31 5.01 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 122 L 8.02 5.24 0.00 1.44 1.48 0.84 0.67 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 0.00 123 T 8.85 4.44 4.25 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 1.22 0.00 0.00 124 E 10.00 3.87 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 2.22 2.28 0.00 125 G 8.41 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 0.00 0.00 0.00 126 K 7.60 4.62 0.00 1.87 1.74 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.48 7.81 127 I 8.48 4.36 0.82 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.27 0.80 0.00 0.00 128 T 9.33 4.54 4.30 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 1.28 0.00 0.00 129 G 7.81 4.52 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 0.00 130 W 8.75 5.67 0.00 3.30 3.20 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 0.00 131 R 9.32 4.81 0.00 1.85 1.65 0.00 3.14 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 132 D 8.48 5.40 0.00 2.58 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.92 4.64 0.00 3.08 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 0.00 134 F 7.89 4.90 0.00 3.03 3.12 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 0.00 0.00 0.00 135 D 8.55 4.75 0.00 2.88 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 0.00 136 L 8.56 4.29 0.00 1.88 1.67 1.26 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.02 3.89 0.00 1.92 2.06 0.00 3.35 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 138 E 8.67 3.89 0.00 2.28 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 0.00 2.71 2.50 0.00 139 F 7.58 3.47 0.00 3.07 3.27 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 0.00 140 E 8.00 3.73 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 141 E 8.02 3.90 0.00 1.85 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 2.29 2.41 0.00 142 A 7.53 4.10 1.15 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 0.00 0.00 143 V 7.16 4.11 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 1.03 0.00 0.00 0.46 0.00 0.00 144 D 7.96 4.24 0.00 2.81 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 0.00 145 L 7.19 4.47 0.00 1.50 1.18 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.92 0.00 2.17 2.02 0.00 3.77 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 1.94 1.90 0.00 147 L 7.96 4.00 0.00 1.58 1.76 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.66 4.10 0.00 1.77 1.99 0.00 3.27 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 149 G 8.04 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.