NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.8438 8.3201 119.3647 57.2244 40.2345 174.6876 3 A 4.0126 8.9385 129.4934 54.0824 18.7768 175.7393 4 K 4.7616 9.1721 114.5782 53.0924 37.5281 173.7958 5 P 4.1839 0.0000 0.0000 66.2177 31.0888 178.6988 6 E 3.9551 8.2220 116.5087 59.6114 29.2917 179.1078 7 D 4.3147 8.2240 118.8210 57.0902 40.8206 178.5709 8 A 2.5800 7.4926 120.8850 54.3308 18.3130 179.6526 9 V 3.2900 7.5209 116.7258 66.0530 31.6701 178.2402 10 K 3.8749 8.0587 119.4324 59.3850 31.9029 177.9937 11 Y 3.9145 7.9257 120.1078 60.7554 38.6774 178.4667 12 R 3.8403 8.0539 117.0765 59.3085 29.3787 178.7044 13 Q 3.9283 8.0948 118.7644 58.8318 28.7133 179.0326 14 S 4.0051 8.0343 115.9023 61.4124 62.8387 176.5739 15 A 3.8153 7.9536 123.8288 55.0973 18.0460 179.7409 16 L 3.9457 8.1137 117.8093 58.0602 41.6702 179.7258 17 T 3.8705 8.0705 115.9068 66.8009 68.4713 176.5096 18 L 4.1794 8.0554 119.9326 56.8272 41.6912 178.7672 19 M 4.0063 8.5148 119.4357 58.9020 32.0587 178.0905 20 A 4.1030 8.1361 120.5145 55.2455 18.6178 179.3392 21 S 4.1040 8.1603 111.7110 62.1818 62.1864 176.2853 22 H 4.2744 8.1984 117.5651 58.3407 28.6652 177.4933 23 F 4.5966 8.4199 122.5547 61.4503 39.4390 177.7734 24 G 3.7337 8.8831 105.9311 47.4093 0.0000 175.4365 25 R 4.0932 7.9578 117.0317 58.5275 29.7480 177.8482 26 M 4.1999 7.9918 118.8879 56.3285 32.2514 177.9834 27 T 3.4847 7.6641 117.2350 66.2894 68.6838 174.4850 28 P 4.3600 0.0000 0.0000 65.2861 31.3067 178.9600 29 V 3.6690 7.4940 116.7660 66.1089 31.4193 178.2398 30 V 3.4012 7.2893 116.2824 65.2121 31.3156 177.2639 31 K 4.2108 7.8208 116.3122 56.2160 32.3078 177.8442 32 G 3.9362 7.7482 107.3436 45.5781 0.0000 174.6530 33 Q 4.0718 7.9596 118.5813 57.2834 29.0603 176.0255 34 A 4.8210 7.4990 119.1520 48.9863 22.0384 173.8606 35 P 4.3805 0.0000 0.0000 62.8143 32.1740 175.4415 36 Y 4.5308 8.4409 120.7642 56.4316 39.3319 174.1295 37 D 4.6270 8.1950 127.3422 52.1522 42.6268 175.8517 38 A 3.4881 7.7716 129.8076 55.0674 18.4345 178.7959 39 A 3.8770 7.8213 118.6915 55.1016 18.5296 179.3931 40 Q 3.8926 8.2026 117.5895 59.5758 29.1753 178.6143 41 I 3.8074 7.8361 120.7559 64.0166 37.1137 178.2100 42 K 3.8910 8.4035 120.6646 59.6036 32.1614 178.6250 43 A 4.3992 8.0520 122.1994 54.7504 18.2176 179.1609 44 N 4.3422 8.3569 115.5999 56.8464 38.9993 177.3560 45 V 3.6726 8.3764 120.1597 65.8386 31.4279 177.8704 46 E 3.9789 8.2530 118.6426 59.2890 29.2510 179.3933 47 V 3.5585 7.6791 117.8162 66.0061 31.5355 177.7337 48 L 3.9910 8.2218 120.2639 57.9978 41.6230 178.8477 49 K 3.9164 8.2606 119.1493 59.8214 32.1404 178.5968 50 T 4.0526 7.7921 115.5196 66.7603 68.4208 176.6847 51 L 4.0446 8.1915 121.2379 57.7539 41.4205 179.7079 52 S 4.4698 8.3384 113.1093 60.8973 63.0686 175.6909 53 A 4.7339 7.5661 124.0087 53.1141 18.7487 178.8805 54 L 4.2379 7.8931 118.0819 57.0012 41.9096 177.4889 55 P 4.1120 0.0000 0.0000 64.9670 31.4254 178.5579 56 W 4.7410 6.9862 116.9003 59.5678 29.1115 177.1282 57 A 4.2437 7.6455 117.1668 54.0237 17.8896 177.5499 58 A 4.6721 7.9968 118.2102 52.0166 18.8577 177.6034 59 F 4.9617 8.0852 116.1106 58.1156 39.9317 176.1741 60 G 4.0721 8.1232 109.5502 44.0828 0.0000 171.7056 61 P 4.5714 0.0000 0.0000 64.3967 31.4188 177.0045 62 G 3.7503 8.6834 111.1776 46.2555 0.0000 173.5419 63 T 4.3427 7.4502 106.9274 60.9290 69.0462 174.8343 64 E 3.4100 7.3970 122.2398 56.8153 30.1436 176.9539 65 G 4.1044 10.0507 107.7574 44.0129 0.0000 173.4912 66 G 3.7669 8.0155 108.8381 47.2985 0.0000 173.9380 67 D 4.8012 8.5571 123.0979 54.0730 41.1985 175.4943 68 A 4.6468 7.7850 122.8656 51.4881 19.3230 178.8249 69 R 4.2007 8.9701 123.1593 55.3748 30.4975 176.2288 70 P 4.5667 0.0000 0.0000 66.2894 30.4353 178.0301 71 E 4.3135 8.2888 115.4126 57.6655 29.1224 178.3444 72 I 2.9967 7.9068 120.6148 62.9236 36.7498 177.3213 73 W 4.3743 8.1636 119.5838 58.4480 29.0991 178.7216 74 S 4.1009 7.7278 113.4927 60.7968 63.8196 175.9416 75 D 5.0016 7.7157 121.4431 52.6470 41.1445 177.8064 76 A 4.0909 7.9860 120.9960 53.9617 18.6900 178.8536 77 A 3.9440 8.0269 119.6652 56.0731 18.4955 178.9383 78 S 4.2306 8.1924 113.8395 60.9660 62.8380 176.1662 79 F 3.6160 8.4394 123.7053 61.2746 39.4141 177.7822 80 K 3.6458 8.1265 119.3187 59.3005 31.8555 178.8538 81 Q 3.8681 7.8795 118.4163 58.8000 28.6051 178.9653 82 K 3.7887 7.7052 119.4761 59.3120 32.0171 179.2443 83 Q 3.0228 7.1612 119.6799 59.0047 28.7192 178.3665 84 Q 3.8281 8.0743 119.1631 58.5498 28.6035 178.4553 85 A 3.8935 8.1171 122.3479 54.8654 18.3553 179.3430 86 F 4.0400 8.0117 119.1735 61.7639 39.3313 177.5277 87 Q 3.5273 8.1046 117.4688 58.6602 28.5166 178.3299 88 D 4.3871 8.3170 120.5485 57.3522 40.7678 178.4362 89 N 4.3000 8.3745 117.3777 56.3619 38.4028 177.4817 90 I 3.5977 7.4762 121.3166 64.0978 37.0524 178.4992 91 V 3.5572 8.0462 119.5945 66.0094 31.2640 178.2525 92 K 3.9515 7.9234 117.8889 59.2903 31.7861 179.0515 93 L 3.9884 7.9189 120.6095 58.2663 42.0209 179.0617 94 S 4.1247 8.4657 115.2548 61.7090 62.7919 176.6201 95 A 4.0152 8.1602 123.1019 55.0632 17.9811 179.5633 96 A 3.9221 8.2940 119.1394 55.3711 18.6204 179.7885 97 A 4.0584 8.3781 119.3996 55.2617 18.1992 179.3174 98 D 4.4640 8.5072 116.5771 56.7026 40.8384 178.2267 99 A 4.2670 7.9821 121.4682 52.9562 18.6532 178.3515 100 G 3.9865 7.8090 103.0315 46.3291 0.0000 173.2240 101 D 4.8269 7.7631 119.5714 51.7052 42.9303 175.8757 102 L 3.3944 8.2846 129.5668 58.0691 42.2582 178.3441 103 D 4.2814 7.9919 118.3392 57.4170 40.7615 178.8371 104 K 4.0328 8.2151 118.4723 59.0718 32.0735 179.0382 105 L 3.9470 8.1356 121.0320 58.1942 42.0037 179.2391 106 R 3.8487 8.1002 117.8383 59.1653 30.0373 178.9397 107 A 3.9777 7.9360 119.9247 55.2714 18.4494 179.5961 108 A 4.0212 8.3208 119.5240 55.1560 18.3393 179.6608 109 F 4.3629 8.9310 119.9666 61.4275 39.4977 177.5160 110 G 3.7757 8.3820 105.4577 48.0617 0.0000 175.3882 111 D 4.3821 8.1685 121.2912 56.9524 40.8091 178.9438 112 V 3.6165 8.0206 118.8982 66.0712 31.5550 178.2225 113 G 3.5235 8.2336 105.2188 47.8044 0.0000 175.4283 114 A 4.0380 8.1427 122.9739 55.0597 18.4535 179.9648 115 S 4.0478 8.0124 113.7399 61.7235 62.8847 176.5780 116 C 3.8416 8.1177 119.5574 62.7668 27.8373 176.2067 117 K 3.9373 8.0608 120.8530 59.2530 31.2599 178.6403 118 A 3.9384 8.1880 121.3698 55.2970 18.2234 179.2497 119 C 4.1198 7.8965 116.6659 62.7030 31.7662 174.8720 120 H 4.0677 8.2657 119.9603 59.8326 29.1584 176.8946 121 D 4.2944 8.1812 118.7135 56.9102 40.6583 178.0131 122 A 4.0297 7.3835 119.5114 53.5541 19.2338 177.2473 123 Y 4.8092 8.1763 111.7432 57.2207 40.7661 174.8892 124 E 5.0748 7.9312 120.7040 54.0052 31.2482 175.9106 125 K 4.2875 9.3609 129.3483 56.6373 32.8564 178.0487 *126 K 3.9525 8.6434 126.8768 55.2886 32.4306 178.1428 *127 K 4.1936 8.4339 120.8280 54.9583 32.3269 176.3905 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 2 F 8.32 4.84 0.00 3.05 3.09 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 3 A 8.94 4.01 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 4 K 9.17 4.76 0.00 1.89 1.79 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.40 7.81 5 P 0.00 4.18 0.00 2.08 2.28 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 2.07 2.28 0.00 6 E 8.22 3.96 0.00 2.03 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 2.38 2.44 0.00 7 D 8.22 4.31 0.00 2.93 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 8 A 7.49 2.58 0.95 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 9 V 7.52 3.29 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 0.93 0.00 0.00 0.90 0.00 0.00 10 K 8.06 3.87 0.00 1.82 1.75 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 11 Y 7.93 3.91 0.00 3.12 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 12 R 8.05 3.84 0.00 1.76 1.83 0.00 2.21 0.00 0.00 2.72 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 13 Q 8.09 3.93 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 14 S 8.03 4.01 0.00 3.81 3.76 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 15 A 7.95 3.82 1.06 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 0.00 0.00 16 L 8.11 3.95 0.00 1.71 1.72 1.03 0.78 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 17 T 8.07 3.87 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 1.21 0.00 0.00 18 L 8.06 4.18 0.00 1.84 1.75 0.87 0.59 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 19 M 8.51 4.01 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.73 0.00 20 A 8.14 4.10 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 0.00 0.00 21 S 8.16 4.10 0.00 3.93 4.04 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 0.00 0.00 0.00 0.00 22 H 8.20 4.27 0.00 3.43 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.42 4.60 0.00 3.22 3.25 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 24 G 8.88 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 25 R 7.96 4.09 0.00 1.98 2.15 0.00 3.27 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.68 0.00 26 M 7.99 4.20 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 27 T 7.66 3.48 4.26 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 1.20 0.00 0.00 28 P 0.00 4.36 0.00 2.11 2.06 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 29 V 7.49 3.67 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 1.07 0.00 0.00 0.97 0.00 0.00 30 V 7.29 3.40 1.55 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 0.63 0.00 0.00 -0.00 0.00 0.00 31 K 7.82 4.21 0.00 1.71 1.79 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.49 7.81 32 G 7.75 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 33 Q 7.96 4.07 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 34 A 7.50 4.82 1.18 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 0.00 0.00 35 P 0.00 4.38 0.00 2.19 2.07 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 36 Y 8.44 4.53 0.00 2.91 2.88 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 37 D 8.20 4.63 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 3.49 1.13 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 0.00 0.00 39 A 7.82 3.88 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 40 Q 8.20 3.89 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 41 I 7.84 3.81 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.07 1.04 0.00 0.00 42 K 8.40 3.89 0.00 1.91 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.67 7.81 43 A 8.05 4.40 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 44 N 8.36 4.34 0.00 2.92 3.00 0.00 0.00 6.88 7.13 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 45 V 8.38 3.67 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 1.11 0.00 0.00 1.10 0.00 0.00 46 E 8.25 3.98 0.00 2.28 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 2.35 2.42 0.00 47 V 7.68 3.56 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 0.83 0.00 0.00 0.95 0.00 0.00 48 L 8.22 3.99 0.00 1.92 1.92 1.14 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 49 K 8.26 3.92 0.00 1.77 2.09 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 50 T 7.79 4.05 4.40 0.00 0.00 0.00 0.00 0.00 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 51 L 8.19 4.04 0.00 1.85 1.74 0.88 0.73 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 52 S 8.34 4.47 0.00 4.20 4.26 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 53 A 7.57 4.73 1.50 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 0.00 0.00 0.00 54 L 7.89 4.24 0.00 1.78 1.86 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.11 0.00 0.49 1.66 0.00 2.93 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 1.43 1.77 0.00 56 W 6.99 4.74 0.00 3.42 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.24 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 58 A 8.00 4.67 1.07 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 0.00 0.00 59 F 8.09 4.96 0.00 2.99 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 60 G 8.12 4.07 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 0.00 0.00 0.00 61 P 0.00 4.57 0.00 2.12 2.11 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 2.12 2.23 0.00 62 G 8.68 3.75 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 0.00 63 T 7.45 4.34 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 1.33 0.00 0.00 64 E 7.40 3.41 0.00 1.72 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.47 0.00 65 G 10.05 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 66 G 8.02 3.77 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 0.00 0.00 0.00 67 D 8.56 4.80 0.00 2.78 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 68 A 7.78 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.97 4.20 0.00 2.07 2.16 0.00 3.22 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 70 P 0.00 4.57 0.00 2.35 2.39 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 71 E 8.29 4.31 0.00 2.24 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 0.00 2.45 2.55 0.00 72 I 7.91 3.00 1.03 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.46 -1.36 0.00 0.00 73 W 8.16 4.37 0.00 3.44 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 74 S 7.73 4.10 0.00 3.91 4.07 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 75 D 7.72 5.00 0.00 3.03 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 76 A 7.99 4.09 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 77 A 8.03 3.94 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 78 S 8.19 4.23 0.00 4.13 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 79 F 8.44 3.62 0.00 2.50 2.90 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 80 K 8.13 3.65 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.36 7.81 81 Q 7.88 3.87 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 82 K 7.71 3.79 0.00 1.53 1.63 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.76 7.81 83 Q 7.16 3.02 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 84 Q 8.07 3.83 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 85 A 8.12 3.89 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 86 F 8.01 4.04 0.00 2.95 3.09 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 87 Q 8.10 3.53 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 88 D 8.32 4.39 0.00 2.75 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 89 N 8.37 4.30 0.00 2.75 2.80 0.00 0.00 6.98 7.37 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 90 I 7.48 3.60 1.70 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 0.58 0.23 0.82 0.00 0.00 91 V 8.05 3.56 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 1.01 0.00 0.00 0.94 0.00 0.00 92 K 7.92 3.95 0.00 2.05 1.84 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.54 7.81 93 L 7.92 3.99 0.00 1.83 1.88 1.11 1.24 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 94 S 8.47 4.12 0.00 4.06 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 95 A 8.16 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.92 1.44 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 0.00 0.00 97 A 8.38 4.06 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 98 D 8.51 4.46 0.00 2.82 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 99 A 7.98 4.27 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 0.00 100 G 7.81 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 0.00 101 D 7.76 4.83 0.00 2.67 2.54 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 0.00 0.00 0.00 0.00 102 L 8.28 3.39 0.00 1.16 1.41 0.37 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.99 4.28 0.00 2.86 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 0.00 104 K 8.22 4.03 0.00 1.92 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 105 L 8.14 3.95 0.00 1.79 1.66 0.98 1.09 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 0.00 106 R 8.10 3.85 0.00 2.06 1.94 0.00 3.06 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 107 A 7.94 3.98 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 0.00 108 A 8.32 4.02 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 0.00 109 F 8.93 4.36 0.00 3.12 3.21 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 0.00 110 G 8.38 3.78 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 0.00 0.00 0.00 111 D 8.17 4.38 0.00 2.92 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 0.00 112 V 8.02 3.62 2.23 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 0.67 0.00 0.00 0.92 0.00 0.00 113 G 8.23 3.52 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 0.00 114 A 8.14 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.01 4.05 0.00 4.17 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 C 8.12 3.84 0.00 2.93 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 0.00 117 K 8.06 3.94 0.00 1.81 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.46 7.81 118 A 8.19 3.94 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 0.00 119 C 7.90 4.12 0.00 2.87 2.82 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 0.00 0.00 0.00 120 H 8.27 4.07 0.00 3.34 3.56 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.18 4.29 0.00 2.64 2.67 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 0.00 122 A 7.38 4.03 0.65 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 0.00 0.00 123 Y 8.18 4.81 0.00 3.09 2.93 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 0.00 124 E 7.93 5.07 0.00 2.06 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 2.27 2.46 0.00 125 K 9.36 4.29 0.00 1.67 1.76 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.61 7.81 *126 K 8.64 3.95 0.00 1.77 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *127 K 8.43 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.