NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.4373 8.3444 119.6824 56.0411 30.5820 174.8297 2 V 3.5687 7.3325 118.4776 62.0758 32.0724 172.7846 3 Q 4.7358 10.1657 130.6298 54.3671 31.8639 173.5064 4 L 5.1673 8.3921 124.3294 52.8974 45.6996 175.5153 5 V 4.5258 8.5691 122.3631 61.1168 34.2737 174.6906 6 E 4.9317 8.9450 127.4749 56.7700 30.5615 175.9932 7 S 4.5561 9.3426 115.5351 58.1829 66.1084 175.0850 8 G 3.9813 9.2307 112.1146 45.0570 0.0000 174.4757 9 G 4.0197 7.3319 107.3909 44.6449 0.0000 173.7255 10 G 3.8248 7.3971 106.4942 45.6296 0.0000 170.5814 11 L 4.9666 8.2213 121.3612 54.1440 43.2303 177.2383 12 V 4.6110 8.6300 118.3332 59.6104 36.4102 174.8927 13 Q 4.6571 8.6027 122.5528 54.5093 30.1722 173.9345 14 P 4.5144 0.0000 0.0000 64.7331 31.5474 176.6358 15 G 3.9238 9.4126 110.8610 45.1427 0.0000 173.6801 16 G 4.0034 7.9160 107.0225 45.7992 0.0000 172.4702 17 S 5.2517 8.0258 114.4462 56.8576 66.9204 173.6090 18 L 4.2994 8.1340 119.6460 54.4076 45.8283 173.3223 19 R 4.9140 8.5313 123.8616 54.3469 32.6360 175.0811 20 L 4.9561 8.5878 123.8009 52.9153 44.7848 175.6252 21 S 5.4613 9.0675 115.9706 56.9802 67.1997 172.4817 22 C 5.2297 9.0916 120.5798 55.3946 47.7225 172.3227 23 A 4.7871 8.8156 129.1952 50.7825 20.0864 175.5120 24 A 5.2234 8.3508 124.5962 50.2818 21.3103 176.1973 25 S 4.4774 8.9019 115.0127 57.5586 67.1535 174.6417 26 G 3.9865 8.7129 106.3509 45.5348 0.0000 172.7442 27 G 4.0814 8.5339 104.0326 46.4438 0.0000 175.8718 28 S 4.1947 8.2676 114.2729 60.9058 62.9809 175.3192 29 E 4.1099 8.2586 117.5088 57.5728 29.6766 175.3283 *30 Y 4.6909 7.5651 118.5795 55.9926 39.1730 175.6241 31 S 4.2806 8.4038 121.7199 58.3174 63.7250 174.2600 32 Y 4.5038 9.1266 127.2458 60.9015 38.5803 178.4136 33 S 4.1024 8.1816 112.5935 60.9026 63.0195 175.0585 34 T 3.9543 7.5664 110.1585 62.8275 68.9773 174.4554 35 F 4.8616 7.6485 122.1113 56.9511 40.1332 175.6305 36 S 4.7244 9.2631 119.8457 57.7905 64.5945 173.2969 37 L 5.4125 9.0003 122.4454 53.4511 45.6954 175.5882 38 G 4.2006 8.3935 106.0529 45.0188 0.0000 171.9200 39 W 5.3196 9.2516 121.3884 54.7298 32.3060 175.0425 40 F 5.4374 10.0758 122.3693 56.0195 43.3206 173.7680 41 R 5.1288 9.1151 115.1383 55.4257 33.1958 174.2051 42 Q 4.8924 8.8941 120.7562 54.4937 32.0058 174.4260 43 A 4.5622 8.5800 129.9330 50.3676 19.6966 174.6048 44 P 4.4830 0.0000 0.0000 64.3283 31.5605 177.1862 45 G 3.9172 8.9996 108.9200 45.7312 0.0000 172.2279 46 Q 4.6131 7.9466 117.3252 53.7444 32.3705 174.5921 47 G 4.0326 8.2017 106.5560 44.7834 0.0000 173.2984 48 L 4.6002 8.3574 122.7090 54.9654 42.4593 175.8018 49 E 5.0474 9.6763 124.2150 54.1645 33.0657 175.1528 50 A 3.3623 8.7247 123.2288 52.2507 19.0013 176.6756 51 V 4.3006 8.5220 120.8997 64.0690 33.9607 175.2564 52 A 4.9952 7.6367 118.9017 51.3276 22.5339 174.5248 53 A 5.0830 8.4767 119.8801 50.8929 23.5521 175.3661 54 I 5.1740 9.3099 119.7767 59.3600 41.5850 174.2246 55 A 4.5058 9.2515 132.0750 50.6215 20.2711 177.0510 56 S 4.2874 8.4608 116.2841 59.5681 63.9638 172.6591 57 M 2.7754 8.6254 122.3289 53.5046 27.6222 175.9341 58 G 3.9814 8.8943 108.7195 44.1696 0.0000 172.0197 59 G 4.2735 8.0587 106.3675 46.0563 0.0000 173.5374 60 L 4.2637 7.8682 119.4796 54.5120 42.7656 176.3865 61 T 5.0694 8.1571 112.7299 60.2593 71.2648 173.1522 62 Y 4.8997 8.4676 119.5680 56.6875 42.3491 174.0038 63 Y 5.0144 8.6394 118.5063 55.9667 42.4116 175.1055 64 A 4.2271 8.8611 123.4080 51.9193 19.2137 178.4730 65 D 4.3111 9.0521 120.1972 57.7368 40.9399 179.1239 66 S 4.2230 7.9496 109.3862 59.1452 63.4753 174.5228 67 V 3.7406 7.5643 113.3614 60.3529 33.2548 175.4828 68 K 3.7462 7.1876 122.5543 57.7798 32.1917 176.9133 69 G 3.9225 8.6156 114.5913 45.1608 0.0000 173.7032 70 R 4.5038 8.0814 118.1179 56.7510 32.5655 176.2371 71 F 5.4201 7.9995 115.0662 56.1155 42.1232 175.6133 72 T 4.8810 8.9162 117.3652 62.1210 72.2657 172.8516 73 I 5.0257 9.1075 127.6345 60.1985 39.5526 174.6103 74 S 5.0330 9.0003 122.0374 57.5893 67.0017 172.6616 75 R 5.2047 8.5906 115.2592 54.9266 32.6576 174.5294 76 D 4.8967 9.3455 121.7980 52.3789 42.1470 176.0126 77 N 4.6592 8.9577 124.3797 56.1313 38.5160 177.0580 78 S 4.2495 7.8044 113.4136 60.3750 63.1099 175.6254 79 K 4.3153 7.7917 119.4989 54.8199 32.8354 175.5201 80 N 3.1400 7.5282 116.2136 53.9759 36.9880 173.4047 81 T 4.9735 7.2753 112.1709 61.5428 72.1990 172.9602 82 L 5.0987 8.6178 127.5223 53.6341 44.7714 174.7475 83 Y 5.6821 9.2617 122.6887 56.4559 42.6597 174.4579 84 L 4.8462 8.6981 122.6444 53.9433 45.6717 174.1973 85 Q 4.5513 9.0751 128.7290 55.0538 30.8411 174.0184 86 M 4.4677 8.6376 125.9537 53.4102 35.1269 174.5540 87 N 5.2243 8.5641 119.0716 51.1298 43.1360 173.9644 88 S 3.7106 8.6463 113.4534 59.4742 60.8068 173.3535 89 L 4.3659 8.0451 121.8896 55.7151 42.4851 177.9977 90 R 4.9349 9.8489 120.6823 53.6630 33.4902 175.2317 91 A 4.2344 8.5971 118.8355 56.6120 18.3299 179.8763 92 E 4.1677 8.1227 113.5719 58.8606 29.6353 177.4692 93 D 4.7645 8.3116 117.7799 55.4219 41.3650 176.8038 94 T 4.3313 7.9612 117.2369 63.2314 68.9123 173.7848 95 A 4.3446 8.4621 128.5032 52.0024 23.7077 174.8775 96 V 4.4034 7.5269 119.2957 62.3163 33.1266 174.2825 97 Y 5.1158 9.2903 126.3031 56.8912 40.0298 174.1543 98 Y 5.5662 9.7358 122.1969 56.4137 41.3186 172.6569 99 C 4.5427 9.5298 118.5468 54.1845 45.5275 172.3670 100 A 4.5884 8.0731 120.7244 50.5186 22.5548 174.8159 101 A 5.4507 8.6253 119.8202 51.0724 23.3362 175.7151 102 V 4.7101 8.7695 116.9851 61.0602 35.1448 173.1247 103 R 4.3163 8.8539 124.5241 54.1156 28.8477 175.2703 104 G 3.9596 7.4839 111.6854 45.4728 0.0000 168.4038 105 Y 4.4320 8.0798 116.6425 55.1853 41.0843 173.5687 106 F 4.7301 7.1611 113.4051 55.7825 40.8722 173.8045 107 M 4.8800 8.4838 117.9428 53.3749 33.0094 175.2680 108 R 3.8160 7.1013 113.2016 54.4612 31.8045 173.7791 109 L 3.6940 8.3358 120.5071 54.7781 41.9880 175.0066 110 P 4.3124 0.0000 0.0000 62.3605 32.2878 176.1236 111 S 4.8722 8.3865 115.5417 56.8405 64.9690 175.2642 112 S 4.2470 8.8324 114.2314 61.4661 62.6761 176.0381 113 H 4.2726 7.9353 120.2650 58.7977 29.6441 175.8870 114 N 4.4125 8.2697 115.6114 54.5776 38.6200 174.7989 115 F 4.6825 7.8767 116.9599 55.6939 40.9024 175.4477 116 R 4.1495 8.7068 125.7515 58.7376 30.8422 175.8273 117 Y 4.8594 8.0016 116.6908 56.3099 39.9567 175.0392 118 W 5.2702 8.7991 122.0340 55.0288 33.4516 175.4165 119 G 4.1771 8.8008 112.9862 46.0207 0.0000 174.0328 120 Q 4.4778 8.9931 116.6079 55.2660 28.7369 173.3580 121 G 3.6499 9.7273 101.5891 46.3343 0.0000 172.7188 122 T 4.6352 8.2800 113.7815 59.8775 71.0607 172.4035 123 L 4.8170 8.5418 130.3788 54.4226 43.9284 175.0660 124 V 4.7110 9.0598 126.3900 61.5105 34.3012 174.1065 125 T 4.6936 8.8933 125.4081 61.9534 70.8009 173.8800 126 V 4.7292 8.5360 128.7381 61.8560 31.8433 175.9203 127 S 4.2836 8.7192 122.2752 58.7452 62.5091 174.3290 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 Q 8.34 4.44 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 V 7.33 3.57 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 0.00 0.00 0.29 0.00 0.00 0.44 0.00 0.00 3 Q 10.17 4.74 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 4 L 8.39 5.17 0.00 1.57 1.40 0.77 0.58 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 5 V 8.57 4.53 2.07 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 1.00 0.00 0.00 0.93 0.00 0.00 6 E 8.94 4.93 0.00 1.97 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 2.74 2.47 0.00 7 S 9.34 4.56 0.00 3.90 3.69 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 8 G 9.23 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.33 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.40 3.82 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 0.00 0.00 0.00 11 L 8.22 4.97 0.00 1.65 1.57 0.98 0.81 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 12 V 8.63 4.61 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 0.70 0.00 0.00 0.90 0.00 0.00 13 Q 8.60 4.66 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 14 P 0.00 4.51 0.00 2.18 2.09 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 15 G 9.41 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 16 G 7.92 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 17 S 8.03 5.25 0.00 3.66 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 18 L 8.13 4.30 0.00 1.59 1.20 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.53 4.91 0.00 1.61 1.71 0.00 3.08 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 20 L 8.59 4.96 0.00 0.69 1.24 0.22 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.07 5.46 0.00 3.89 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 0.00 22 C 9.09 5.23 0.00 2.80 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 23 A 8.82 4.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.35 5.22 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.90 4.48 0.00 3.79 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 26 G 8.71 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 27 G 8.53 4.08 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 0.00 28 S 8.27 4.19 0.00 4.00 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 29 E 8.26 4.11 0.00 2.15 2.25 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 2.38 2.29 0.00 *30 Y 7.57 4.69 0.00 2.90 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 0.00 0.00 0.00 0.00 31 S 8.40 4.28 0.00 3.80 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 32 Y 9.13 4.50 0.00 3.20 3.08 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 33 S 8.18 4.10 0.00 4.00 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 34 T 7.57 3.95 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 1.06 0.00 0.00 35 F 7.65 4.86 0.00 2.78 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 36 S 9.26 4.72 0.00 3.82 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 37 L 9.00 5.41 0.00 1.57 1.42 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.39 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 0.00 0.00 0.00 0.00 39 W 9.25 5.32 0.00 3.29 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 10.08 5.44 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.12 5.13 0.00 1.08 1.32 0.00 2.45 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 42 Q 8.89 4.89 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 43 A 8.58 4.56 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 44 P 0.00 4.48 0.00 2.20 2.10 0.00 3.98 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 45 G 9.00 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 46 Q 7.95 4.61 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 47 G 8.20 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 48 L 8.36 4.60 0.00 1.54 1.54 0.89 0.28 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 49 E 9.68 5.05 0.00 2.03 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 2.41 2.28 0.00 50 A 8.72 3.36 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 51 V 8.52 4.30 2.38 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 1.32 0.00 0.00 1.18 0.00 0.00 52 A 7.64 5.00 1.21 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 0.00 0.00 53 A 8.48 5.08 1.21 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 0.00 0.00 54 I 9.31 5.17 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.53 1.04 0.00 0.00 55 A 9.25 4.51 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 56 S 8.46 4.29 0.00 4.00 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 57 M 8.63 2.78 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 58 G 8.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.06 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 0.00 0.00 0.00 0.00 60 L 7.87 4.26 0.00 1.70 1.41 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.16 5.07 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 1.25 0.00 0.00 62 Y 8.47 4.90 0.00 2.84 2.83 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 63 Y 8.64 5.01 0.00 2.81 2.83 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 64 A 8.86 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.05 4.31 0.00 2.72 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 66 S 7.95 4.22 0.00 3.91 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 67 V 7.56 3.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 1.06 0.00 0.00 68 K 7.19 3.75 0.00 2.03 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.37 7.81 69 G 8.62 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 70 R 8.08 4.50 0.00 1.66 2.15 0.00 3.32 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 71 F 8.00 5.42 0.00 2.87 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.92 4.88 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 1.33 0.00 0.00 73 I 9.11 5.03 2.05 0.00 0.00 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 1.50 1.37 0.90 0.00 0.00 74 S 9.00 5.03 0.00 4.08 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 75 R 8.59 5.20 0.00 2.02 2.04 0.00 3.05 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 76 D 9.35 4.90 0.00 3.08 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 77 N 8.96 4.66 0.00 2.89 3.06 0.00 0.00 6.78 7.81 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 78 S 7.80 4.25 0.00 4.09 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 79 K 7.79 4.32 0.00 1.86 1.82 0.00 2.00 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.63 7.81 80 N 7.53 3.14 0.00 2.52 2.21 0.00 0.00 6.74 7.19 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 81 T 7.28 4.97 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 0.57 0.00 0.00 82 L 8.62 5.10 0.00 1.73 1.37 1.12 0.03 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 83 Y 9.26 5.68 0.00 2.98 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 84 L 8.70 4.85 0.00 0.88 0.15 0.98 -0.07 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 0.00 85 Q 9.08 4.55 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 86 M 8.64 4.47 0.00 1.17 1.47 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.00 87 N 8.56 5.22 0.00 2.73 2.68 0.00 0.00 7.19 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 88 S 8.65 3.71 0.00 3.99 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 89 L 8.05 4.37 0.00 1.75 1.64 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.85 4.93 0.00 1.62 1.75 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 91 A 8.60 4.23 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 92 E 8.12 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 2.33 2.41 0.00 93 D 8.31 4.76 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.96 4.33 4.35 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 1.29 0.00 0.00 95 A 8.46 4.34 1.12 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 0.00 0.00 96 V 7.53 4.40 2.07 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 0.52 0.00 0.00 0.94 0.00 0.00 97 Y 9.29 5.12 0.00 2.95 3.14 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 0.00 98 Y 9.74 5.57 0.00 3.24 3.14 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 0.00 99 C 9.53 4.54 0.00 2.03 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 0.00 100 A 8.07 4.59 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.63 5.45 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.71 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 0.49 0.00 0.00 0.94 0.00 0.00 103 R 8.85 4.32 0.00 2.01 1.97 0.00 2.97 0.00 0.00 3.15 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.00 104 G 7.48 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 0.00 105 Y 8.08 4.43 0.00 2.76 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 0.00 106 F 7.16 4.73 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.48 4.88 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 108 R 7.10 3.82 0.00 1.75 1.76 0.00 3.01 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 109 L 8.34 3.69 0.00 1.64 1.63 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.31 0.00 2.08 1.12 0.00 3.43 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.77 0.00 111 S 8.39 4.87 0.00 4.11 4.13 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 0.00 112 S 8.83 4.25 0.00 3.78 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 0.00 113 H 7.94 4.27 0.00 3.09 3.43 0.00 5.95 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 0.00 114 N 8.27 4.41 0.00 2.64 2.51 0.00 0.00 6.88 7.49 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 0.00 115 F 7.88 4.68 0.00 2.78 2.40 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 0.00 116 R 8.71 4.15 0.00 1.63 1.63 0.00 2.88 0.00 0.00 2.79 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 117 Y 8.00 4.86 0.00 2.86 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 0.00 118 W 8.80 5.27 0.00 3.08 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 0.00 119 G 8.80 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 0.00 0.00 0.00 0.00 120 Q 8.99 4.48 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.24 1.92 0.00 121 G 9.73 3.65 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 0.00 122 T 8.28 4.64 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 1.38 0.00 0.00 123 L 8.54 4.82 0.00 1.83 1.53 0.99 0.83 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 0.00 124 V 9.06 4.71 2.34 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 0.96 0.00 0.00 0.78 0.00 0.00 125 T 8.89 4.69 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 1.23 0.00 0.00 126 V 8.54 4.73 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 0.81 0.00 0.00 1.01 0.00 0.00 127 S 8.72 4.28 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.