NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4797 8.3344 116.7474 59.2523 63.6260 171.9900 3 N 4.0637 8.0181 122.7615 52.5343 42.1442 171.7972 4 T 4.3813 9.5346 118.7427 63.9727 69.3949 174.1827 5 L 5.0025 8.4570 119.9374 52.3551 43.7888 176.4082 6 F 4.8732 7.3833 121.1515 58.0170 42.2596 171.7651 7 D 4.5449 7.3220 123.2316 52.7652 44.5087 173.4025 8 D 4.3485 8.2446 121.6831 53.7792 45.8303 173.9859 9 I 4.7777 8.2919 123.4310 59.7931 39.0175 175.0040 10 F 5.3065 8.9415 125.7236 55.8561 42.2904 174.6991 11 Q 4.9388 9.8881 123.9232 54.0656 30.8499 174.9191 12 V 4.0580 8.8492 128.5159 63.7284 31.8567 176.2207 13 S 4.6496 9.1077 122.3319 58.5281 65.6809 174.1791 14 E 4.6431 8.0120 121.7384 55.2070 32.6101 173.7258 15 V 4.5664 8.4928 127.3055 60.0882 33.4434 174.9999 16 D 4.6712 8.4141 124.5991 51.4284 42.5027 173.0283 17 P 4.7437 0.0000 0.0000 61.9312 28.4585 177.6132 18 G 3.7614 8.0638 113.3887 46.6604 0.0000 171.7012 19 R 3.5011 7.6718 123.6971 57.7495 27.9597 173.9288 20 Y 5.1194 7.2672 113.7055 56.8241 42.6003 175.2104 21 N 5.0724 8.8603 113.6065 53.1482 41.3863 175.5674 22 K 4.7515 7.8991 115.7237 55.3838 34.5697 175.5684 23 V 4.6590 7.6162 117.4740 62.1844 34.4107 172.3331 24 C 5.0205 9.1278 124.9682 57.8627 31.5883 172.9388 25 R 4.9118 8.1655 122.6774 55.0207 31.1683 174.9232 26 I 4.6934 9.3392 127.0359 59.1187 41.7976 173.7950 27 E 5.0190 8.8909 128.5068 54.6511 31.4158 174.2036 28 A 5.3847 9.1304 129.1017 50.0422 21.9339 174.8387 29 A 5.1948 8.9782 121.5105 50.1409 22.7472 175.4451 30 S 4.1438 8.6050 114.6616 57.3383 63.1928 174.1018 31 T 3.8866 8.2531 124.9409 66.4437 68.9956 172.7451 32 T 3.4371 9.1056 124.0606 62.6831 64.1900 174.5874 33 Q 4.0809 9.1387 122.8811 57.3831 29.6928 176.1232 34 D 4.7725 8.7133 121.1706 54.5496 41.8747 176.5731 35 Q 4.6805 7.7734 117.4647 55.5238 29.3130 174.8157 36 C 5.4065 8.0351 116.5447 59.0286 35.1119 172.4754 37 K 4.8472 8.4181 122.2056 56.1354 36.1263 173.8041 38 L 5.0166 9.2262 122.0107 53.6666 45.6854 174.8176 39 T 5.1334 8.8210 122.4498 61.7299 71.5675 172.8885 40 L 4.9567 9.0317 127.3512 53.9628 46.1122 173.6906 41 D 5.3645 8.9525 125.9616 53.2093 42.6772 175.5411 42 I 4.7768 8.8139 124.8014 59.2402 41.1014 174.9433 43 N 5.0385 9.6348 125.9927 53.3383 36.9332 175.2378 44 V 4.0356 8.1480 122.3921 63.7915 31.9393 176.1322 45 E 4.3432 8.2290 118.6628 58.0791 30.2466 176.5373 46 L 4.3506 7.9586 117.7086 56.1905 42.3424 176.4762 47 F 4.7948 8.4328 120.6134 56.2202 40.3236 171.6833 48 P 4.2353 0.0000 0.0000 62.3682 31.8077 176.3869 49 V 4.2554 7.6948 119.7251 61.4868 34.9056 174.4774 50 A 4.4000 7.9060 123.4734 51.2928 21.6257 175.7495 51 A 3.9928 8.5476 118.7494 54.1126 18.9697 177.8411 52 Q 3.4079 7.7795 120.1093 57.2807 26.9760 173.1585 53 D 5.0654 7.6991 116.2805 53.0706 44.5215 176.7884 54 S 5.0504 8.3391 113.8336 57.4044 65.7356 173.4904 55 L 4.9777 9.0984 124.8002 52.9143 45.3319 176.3314 56 T 4.7127 8.5313 120.4868 63.5981 70.1111 173.8913 57 V 4.9381 8.9642 124.1622 61.7911 35.2538 174.5105 58 T 5.0180 8.3083 123.4020 62.4354 71.5643 172.3894 59 I 4.5893 8.6714 120.1254 58.1240 39.1383 175.9728 60 A 4.1491 9.2351 128.3652 52.4641 19.3877 178.3653 61 S 5.4027 7.8198 111.8684 56.5653 63.9910 173.2618 62 S 4.2142 6.3769 125.0265 59.2001 68.0916 178.7944 63 L 4.0613 8.1776 113.4161 53.6180 39.6802 176.3195 *76 T 4.1035 7.4390 118.2003 64.1292 69.3877 171.0835 77 R 3.6517 8.0462 125.8152 54.9482 30.3890 176.5772 78 S 3.9785 8.7852 114.1117 58.4908 62.8219 173.7720 79 W 4.1718 8.9302 134.7232 57.3148 29.8421 175.5806 80 R 3.8500 7.9944 124.6037 55.2598 30.0536 175.1452 81 P 3.8015 0.0000 0.0000 61.1520 32.7655 175.8619 82 P 4.4646 0.0000 0.0000 64.3943 30.3019 177.3243 83 Q 4.1085 9.2174 125.5887 57.0531 27.5944 173.9636 84 A 4.6808 7.5818 117.1576 52.3907 19.2304 178.5587 85 G 3.8279 8.0480 107.9831 48.5504 0.0000 173.9746 86 D 4.8660 7.4172 118.4729 53.0555 41.5659 174.1941 87 R 4.5835 7.6269 115.3993 54.9777 34.4791 174.7570 88 S 4.4325 8.3262 113.7531 58.0041 63.8811 174.5897 89 L 4.2976 8.0925 123.0257 54.7564 40.6243 177.1313 90 A 4.3071 8.5735 130.7624 51.9912 17.6185 177.0868 91 D 5.1307 10.3150 119.8951 53.6074 40.1006 175.2723 92 D 4.5528 8.3136 123.4904 54.5924 41.5458 176.6258 93 Y 4.4483 7.5003 117.4497 57.2550 39.0334 175.1161 94 D 4.5375 8.8752 124.6054 57.2554 41.4214 175.6879 95 Y 4.5201 7.9000 119.7117 55.5565 41.2446 174.3720 96 V 5.4482 7.8132 125.9118 61.9771 34.5809 173.4478 97 M 4.7102 8.5705 126.6625 53.7955 35.9470 174.1478 98 Y 4.7157 8.5483 120.3413 56.4687 40.8566 173.4488 99 G 3.4545 6.9817 117.2675 45.4618 0.0000 171.4615 100 T 4.8301 8.7500 118.2072 61.8279 73.4671 173.0787 101 A 4.2067 8.1453 128.1382 50.8366 19.2332 176.0886 102 Y 4.4329 8.0597 120.3201 58.1225 39.5310 176.0226 103 K 4.1977 6.8304 119.2127 53.3612 36.7348 174.6880 104 F 5.0673 8.3193 121.1768 55.7194 41.4526 174.1085 105 E 4.6188 9.6442 126.4987 54.4383 31.8651 174.3808 106 E 4.5141 8.8536 126.7423 55.3135 30.4829 175.9678 107 V 4.0860 8.1246 125.8574 61.4431 31.5528 176.4939 108 S 3.7199 8.2528 120.1379 58.3778 62.2849 169.7690 109 K 3.3744 9.3550 117.5767 58.6879 31.6326 174.8945 110 D 4.7865 10.2437 119.7360 55.1231 38.0250 173.2714 111 L 4.7226 6.6386 117.2663 54.7504 45.8555 174.0488 112 I 4.2290 7.9623 118.3862 61.5220 42.4361 173.0263 113 A 5.5509 7.8083 127.2556 51.1417 22.7639 175.5840 114 V 4.4151 8.2420 115.8109 59.8113 34.1989 174.4224 115 Y 5.0685 7.7281 121.5623 56.5937 40.3660 174.4428 116 Y 4.7757 9.3002 120.0938 56.2580 42.7702 174.6328 117 S 5.0279 9.5194 117.8736 56.9700 64.8120 172.5978 118 F 4.2576 9.9340 129.0046 56.3600 37.7704 175.8284 119 G 3.9914 8.9051 114.3899 45.9011 0.0000 169.3264 120 G 4.2497 8.2939 112.3621 45.5830 0.0000 173.1670 121 L 4.1598 7.5300 120.8663 55.1274 42.6741 176.8927 122 L 5.4936 10.0008 124.0968 53.5692 45.6899 174.9971 123 M 5.3663 9.0687 118.7906 54.5077 36.1675 173.2029 124 R 4.9996 9.6997 126.9233 54.3956 33.3117 173.8669 125 L 5.0958 8.5833 127.3473 53.1664 46.0539 174.5693 126 E 4.8502 8.4421 125.6517 53.6539 32.9105 172.8500 127 G 3.9613 9.4220 118.7153 46.4349 0.0000 173.7899 128 N 4.6078 7.7591 123.0160 54.3379 45.0933 175.7660 129 Y 4.3779 7.2836 115.9655 59.5547 38.4902 177.3004 130 R 4.3388 7.1059 116.7129 56.8084 29.8426 177.8874 131 N 4.2384 7.9449 117.8073 56.0395 38.4808 175.9715 132 L 4.5459 7.8423 113.9017 54.5813 41.7053 175.6121 133 N 4.8762 7.3691 113.8526 55.1165 41.6968 174.9065 134 N 5.0411 7.9401 117.0658 52.7148 36.2984 174.4773 135 L 4.0423 7.6376 120.5252 55.0057 43.0908 177.7076 136 K 4.7567 7.9775 117.7015 56.6079 32.3877 175.7788 137 Q 4.5347 7.6479 118.5539 55.5499 30.9223 177.1529 138 E 4.0683 8.6497 117.8414 59.2632 29.7597 177.7180 139 N 4.9540 8.2056 115.6317 52.7083 39.4331 174.3068 140 A 5.6254 8.5084 133.6097 52.7481 21.6919 175.7434 141 Y 4.7532 8.7490 120.4777 58.4875 40.7625 174.4730 142 L 4.3738 8.5351 120.7401 54.4196 46.1064 173.8831 143 L 5.0303 8.4242 125.6710 52.9634 45.0920 175.3510 144 I 5.5779 9.4745 125.6820 58.9720 39.9347 174.9628 145 R 4.8671 8.1540 120.1892 55.3775 33.4118 175.3314 146 R 4.2818 8.6137 118.0027 57.0391 30.7810 176.3297 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 S 8.33 4.48 0.00 3.76 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 3 N 8.02 4.06 0.00 2.89 2.64 0.00 0.00 7.11 6.33 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 4 T 9.53 4.38 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 1.27 0.00 0.00 5 L 8.46 5.00 0.00 1.69 1.75 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.38 4.87 0.00 3.26 2.96 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 7 D 7.32 4.54 0.00 2.50 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.24 4.35 0.00 2.71 2.35 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 9 I 8.29 4.78 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.92 0.00 0.00 10 F 8.94 5.31 0.00 3.26 2.98 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 11 Q 9.89 4.94 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 12 V 8.85 4.06 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 0.95 0.00 0.00 0.96 0.00 0.00 13 S 9.11 4.65 0.00 3.87 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 14 E 8.01 4.64 0.00 2.04 1.81 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 2.29 2.31 0.00 15 V 8.49 4.57 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 0.75 0.00 0.00 0.92 0.00 0.00 16 D 8.41 4.67 0.00 2.83 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 17 P 0.00 4.74 0.00 1.99 2.03 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 18 G 8.06 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 0.00 0.00 0.00 19 R 7.67 3.50 0.00 1.67 1.73 0.00 3.24 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 20 Y 7.27 5.12 0.00 3.01 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 21 N 8.86 5.07 0.00 2.71 2.83 0.00 0.00 6.61 7.61 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 22 K 7.90 4.75 0.00 1.65 1.73 0.00 1.71 0.00 0.00 2.06 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.41 7.81 23 V 7.62 4.66 1.71 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 0.46 0.00 0.00 0.81 0.00 0.00 24 C 9.13 5.02 0.00 2.83 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 25 R 8.17 4.91 0.00 2.14 1.84 0.00 3.12 0.00 0.00 3.23 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 26 I 9.34 4.69 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.42 0.87 0.00 0.00 27 E 8.89 5.02 0.00 2.15 1.81 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 2.20 2.28 0.00 28 A 9.13 5.38 1.23 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 0.00 0.00 29 A 8.98 5.19 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 30 S 8.61 4.14 0.00 3.61 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 31 T 8.25 3.89 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 1.18 0.00 0.00 32 T 9.11 3.44 4.19 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 1.16 0.00 0.00 33 Q 9.14 4.08 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 34 D 8.71 4.77 0.00 2.68 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 35 Q 7.77 4.68 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 36 C 8.04 5.41 0.00 3.07 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 37 K 8.42 4.85 0.00 1.88 1.94 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.52 7.81 38 L 9.23 5.02 0.00 1.27 1.22 0.76 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.82 5.13 4.28 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 1.33 0.00 0.00 40 L 9.03 4.96 0.00 1.60 1.35 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.95 5.36 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.81 4.78 1.81 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.77 0.74 0.00 0.00 43 N 9.63 5.04 0.00 2.77 2.91 0.00 0.00 6.70 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 44 V 8.15 4.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 45 E 8.23 4.34 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 46 L 7.96 4.35 0.00 2.08 1.78 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.43 4.79 0.00 3.36 3.45 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 0.00 0.00 0.00 0.00 48 P 0.00 4.24 0.00 1.87 1.85 0.00 3.42 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 49 V 7.69 4.26 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 0.77 0.00 0.00 0.80 0.00 0.00 50 A 7.91 4.40 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 51 A 8.55 3.99 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 52 Q 7.78 3.41 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 53 D 7.70 5.07 0.00 2.80 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 54 S 8.34 5.05 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 9.10 4.98 0.00 1.68 1.69 0.98 0.62 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 56 T 8.53 4.71 4.42 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 1.35 0.00 0.00 57 V 8.96 4.94 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 1.11 0.00 0.00 1.01 0.00 0.00 58 T 8.31 5.02 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 1.17 0.00 0.00 59 I 8.67 4.59 2.02 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 1.55 1.49 0.99 0.00 0.00 60 A 9.24 4.15 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 61 S 7.82 5.40 0.00 3.86 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 62 S 6.38 4.21 0.00 3.84 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 63 L 8.18 4.06 0.00 1.59 1.62 0.90 0.76 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 *76 T 7.44 4.10 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 1.25 0.00 0.00 77 R 8.05 3.65 0.00 1.96 1.92 0.00 3.25 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 78 S 8.79 3.98 0.00 4.03 3.97 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 0.00 0.00 0.00 79 W 8.93 4.17 0.00 3.25 3.29 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 80 R 7.99 3.85 0.00 1.52 1.63 0.00 3.17 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 81 P 0.00 3.80 0.00 1.87 1.89 0.00 3.51 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 82 P 0.00 4.46 0.00 1.99 1.89 0.00 3.55 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 83 Q 9.22 4.11 0.00 2.04 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 84 A 7.58 4.68 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 85 G 8.05 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 0.00 0.00 0.00 86 D 7.42 4.87 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.58 0.00 1.77 1.78 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 88 S 8.33 4.43 0.00 3.97 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 89 L 8.09 4.30 0.00 2.07 1.85 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.57 4.31 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 10.32 5.13 0.00 3.07 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 92 D 8.31 4.55 0.00 2.16 2.52 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 93 Y 7.50 4.45 0.00 2.94 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 94 D 8.88 4.54 0.00 2.34 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 95 Y 7.90 4.52 0.00 2.33 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 0.00 0.00 0.00 96 V 7.81 5.45 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 1.07 0.00 0.00 0.95 0.00 0.00 97 M 8.57 4.71 0.00 1.94 1.47 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 98 Y 8.55 4.72 0.00 1.97 2.46 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 0.00 99 G 6.98 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.75 4.83 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 101 A 8.15 4.21 0.61 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 0.00 0.00 0.00 102 Y 8.06 4.43 0.00 2.79 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 0.00 103 K 6.83 4.20 0.00 1.48 1.65 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.33 7.81 104 F 8.32 5.07 0.00 2.83 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 0.00 105 E 9.64 4.62 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 106 E 8.85 4.51 0.00 1.90 1.90 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 2.23 2.29 0.00 107 V 8.12 4.09 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 0.78 0.00 0.00 0.93 0.00 0.00 108 S 8.25 3.72 0.00 4.04 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 0.00 109 K 9.35 3.37 0.00 1.86 1.85 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.54 7.81 110 D 10.24 4.79 0.00 2.84 2.94 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 0.00 111 L 6.64 4.72 0.00 1.47 1.54 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.96 4.23 1.82 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 1.13 1.09 0.81 0.00 0.00 113 A 7.81 5.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.24 4.42 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 1.02 0.00 0.00 0.94 0.00 0.00 115 Y 7.73 5.07 0.00 2.04 1.64 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 0.00 0.00 0.00 0.00 116 Y 9.30 4.78 0.00 3.06 2.99 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 0.00 117 S 9.52 5.03 0.00 3.77 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 0.00 118 F 9.93 4.26 0.00 3.09 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 0.00 119 G 8.91 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 0.00 120 G 8.29 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 0.00 0.00 0.00 0.00 121 L 7.53 4.16 0.00 1.83 1.68 0.99 0.69 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 0.00 122 L 10.00 5.49 0.00 1.63 1.75 0.99 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.07 5.37 0.00 2.37 1.91 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 124 R 9.70 5.00 0.00 2.00 1.75 0.00 3.30 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.00 125 L 8.58 5.10 0.00 1.66 1.28 0.86 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.44 4.85 0.00 1.90 1.81 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 2.15 2.17 0.00 127 G 9.42 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 0.00 128 N 7.76 4.61 0.00 2.68 2.80 0.00 0.00 6.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.28 4.38 0.00 3.31 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 0.00 130 R 7.11 4.34 0.00 1.73 1.90 0.00 2.78 0.00 0.00 2.72 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 131 N 7.94 4.24 0.00 2.75 2.88 0.00 0.00 6.79 7.50 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 0.00 132 L 7.84 4.55 0.00 1.64 1.69 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.37 4.88 0.00 2.80 3.04 0.00 0.00 7.09 6.92 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 0.00 134 N 7.94 5.04 0.00 2.67 2.90 0.00 0.00 7.20 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 0.00 135 L 7.64 4.04 0.00 1.67 1.64 0.94 0.91 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 0.00 136 K 7.98 4.76 0.00 2.12 2.40 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.39 1.04 7.81 137 Q 7.65 4.53 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 138 E 8.65 4.07 0.00 2.06 2.06 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 2.36 2.35 0.00 139 N 8.21 4.95 0.00 2.87 2.91 0.00 0.00 6.81 7.96 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 0.00 140 A 8.51 5.63 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 0.00 141 Y 8.75 4.75 0.00 3.12 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 0.00 142 L 8.54 4.37 0.00 1.69 1.23 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.42 5.03 0.00 0.49 0.68 0.79 0.74 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 0.00 144 I 9.47 5.58 1.53 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.63 0.87 0.00 0.00 145 R 8.15 4.87 0.00 1.85 2.17 0.00 2.93 0.00 0.00 2.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 146 R 8.61 4.28 0.00 2.08 2.00 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.