NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7421 8.3501 109.7399 45.2812 0.0000 173.2230 *2 A 4.0731 7.5185 123.5757 50.7580 20.0523 176.3738 3 K 4.3256 8.5572 121.6984 55.5919 32.6851 176.8483 4 K 4.2643 9.4292 127.1266 56.8585 33.3314 175.6036 5 T 5.2507 8.8238 123.8180 61.7098 72.0160 172.5196 6 L 4.9158 8.5585 127.8072 53.1775 44.8424 174.8899 7 I 5.0726 8.9472 126.6938 59.6998 39.7810 174.4714 8 L 5.8735 9.4718 127.5974 52.5060 44.9615 175.2641 9 Y 5.2897 7.9673 118.5739 55.9907 41.5342 172.5644 10 Y 5.1624 8.6704 122.4153 55.9974 41.2294 175.0874 11 S 4.3264 7.4800 119.5224 56.4062 65.3602 173.1369 12 W 4.4165 8.9835 135.0000 59.4755 30.9382 176.8953 13 S 4.3400 8.5254 109.2401 57.7186 62.9587 174.8284 14 G 3.9950 8.2735 110.9491 45.9411 0.0000 176.2427 15 E 3.9619 8.0748 118.4540 59.8255 29.7441 178.4907 16 T 4.0594 7.9089 113.8604 66.3572 69.1094 175.6235 17 K 3.1080 8.1687 122.2286 59.2756 32.4392 179.7824 18 K 4.5043 8.0668 114.4806 56.4257 31.4973 178.6170 *20 A 4.1293 8.1074 124.2458 52.2975 20.0535 179.8199 21 E 3.8944 8.1353 115.4062 59.2880 29.2007 179.4713 22 K 3.8744 7.7833 118.5228 59.6225 32.5700 178.6111 23 I 3.9262 7.3785 120.8761 63.6734 36.5414 177.5428 24 N 4.3344 8.6560 119.9440 56.1626 38.5252 177.0508 25 S 4.1746 7.8593 114.0586 61.0566 63.4218 175.7107 26 E 4.3692 8.1073 122.0456 56.5489 29.3953 175.7343 27 I 4.3113 7.0714 119.7014 58.7076 38.1632 174.9645 28 K 4.0093 8.5896 127.0916 58.0116 32.3164 176.1297 29 D 4.5474 8.9853 123.7879 54.8283 38.2369 173.9946 30 S 4.6489 7.8929 114.8199 58.6190 64.4710 172.9506 31 E 4.7932 8.9524 121.0696 54.6716 32.2216 174.6178 32 L 5.3248 8.4871 124.2097 53.3367 44.9446 175.6794 33 K 4.7222 9.3010 124.9891 54.7212 36.4900 174.9135 34 E 3.7563 8.7669 125.2646 54.9009 31.0266 175.0995 35 V 4.4011 8.1910 126.8848 61.5148 32.8254 175.1431 36 K 4.9853 9.0804 126.9155 54.8338 35.6605 175.3506 37 V 5.0816 8.6054 113.8508 58.2392 35.3287 176.0563 38 S 4.3243 8.4551 116.5057 57.7090 63.7421 173.4182 39 E 4.1644 8.4914 122.9056 58.0382 29.7625 177.2823 40 G 4.0580 8.9200 113.8902 45.7285 0.0000 174.8107 41 T 3.8286 7.7439 116.0950 66.0916 69.0390 173.8588 42 F 5.3681 7.6951 120.3226 56.7673 40.5849 173.9220 43 D 4.9078 8.9014 122.9207 53.4995 44.3766 176.1548 44 A 4.1616 8.7880 126.5245 54.9772 19.1278 177.6443 45 D 4.7861 8.7169 116.5262 53.8742 43.5853 175.4661 *47 Y 4.4618 8.3717 112.4625 58.3196 40.1654 177.5215 48 K 4.0094 8.6217 119.1530 59.6679 31.9995 179.4933 49 T 3.7472 7.8338 115.9399 66.5660 68.2209 176.3499 50 S 3.5161 7.4472 114.3619 61.5973 62.2480 175.9445 51 D 4.2991 8.0216 121.2223 57.2039 40.3629 178.8799 52 I 3.6502 7.8595 120.1753 64.3131 37.0807 178.2597 53 A 4.3205 8.0145 123.0754 54.5379 18.1542 179.3550 54 L 3.7769 8.1184 119.1808 58.4303 42.1260 178.8109 55 D 4.2763 8.0732 117.6802 56.8998 40.5700 178.3746 56 Q 4.1335 7.5522 120.1097 58.3200 28.4641 178.2139 57 I 3.7300 7.4003 119.6514 64.5378 37.3056 177.8933 58 Q 4.3171 7.9502 115.4393 56.1575 28.9398 176.8996 59 G 4.0068 7.8585 108.6260 45.3425 0.0000 174.0827 60 N 4.6081 8.0592 117.1995 54.0940 39.4757 175.5442 61 K 4.6640 7.4345 116.0496 54.0423 36.0923 175.4093 62 D 4.7106 8.4003 121.1188 53.9906 41.4546 176.7198 63 F 4.0014 8.6579 121.0198 56.7540 39.5815 173.5986 64 P 4.4370 0.0000 0.0000 62.2208 32.0644 176.2704 65 E 4.1893 8.4595 119.9652 56.4542 30.1128 176.1060 66 I 4.9165 7.9623 113.6535 59.2688 40.7354 174.3885 67 Q 4.8477 9.0181 122.5431 54.1549 31.4975 174.7378 68 L 4.4785 8.2860 122.1892 54.5615 43.2901 174.7075 69 D 4.4954 8.6450 119.5857 54.2434 41.3611 176.3729 70 N 4.4675 8.5316 119.5540 53.3983 38.9948 174.9421 71 I 4.3782 7.7748 123.1307 59.3274 40.9497 174.7663 72 D 4.4895 8.3491 124.2053 52.8872 40.7638 176.2688 73 Y 4.4122 8.1078 125.9425 61.2467 38.0797 178.1005 74 N 4.9639 8.4100 114.1928 54.0810 38.3296 175.5835 75 N 4.4292 8.2495 116.0128 54.4272 38.8759 174.6229 76 Y 4.9339 7.6482 115.3102 56.1770 41.1839 175.3924 77 D 4.7795 9.1359 122.5151 56.4765 42.6725 176.4769 78 L 5.3957 8.0753 119.7274 53.4546 46.0107 174.9525 79 I 4.9099 8.9892 126.8740 59.5539 40.1766 174.2973 80 L 5.0707 9.0625 128.1698 53.3865 43.8189 175.6030 81 I 4.8853 8.8413 125.2723 59.5063 39.8869 174.7587 82 G 3.6614 8.8579 115.0865 44.8279 0.0000 172.2656 83 S 5.3524 7.8916 116.4735 55.9552 66.1333 171.5473 84 P 4.9622 0.0000 0.0000 62.6628 32.3337 175.6281 85 V 4.1848 8.3606 121.4730 62.3117 32.3717 175.8728 86 W 4.7667 9.5548 129.0403 55.6633 29.4916 175.8222 87 S 3.9284 9.7199 123.5807 59.5886 59.6317 173.8706 88 G 3.9316 8.4580 104.9195 45.8190 0.0000 172.5909 89 Y 4.3139 7.8950 116.4759 54.7532 41.3461 173.6144 90 P 4.9119 0.0000 0.0000 62.0071 32.3216 176.4790 91 A 3.6091 8.4623 123.5965 52.0415 18.9545 179.2560 92 T 4.2231 8.6770 111.6286 64.6030 68.6848 174.9993 93 P 4.2535 0.0000 0.0000 65.3930 31.1187 178.4142 94 I 3.7995 8.0001 118.9503 63.9811 36.9658 178.2766 95 K 3.4378 7.7559 120.2462 59.5324 31.8069 178.9819 96 T 3.6738 7.5606 115.4382 66.3465 68.1854 176.0057 97 L 3.8931 7.6374 120.9091 58.3458 42.2007 178.7162 98 L 3.9966 7.7639 117.4294 57.8291 41.5718 178.9147 99 D 4.4225 7.7199 117.8159 57.1304 41.4509 179.4787 100 Q 4.2373 7.6872 118.7989 55.5153 27.3635 177.0367 *102 K 4.2764 7.8594 121.6727 56.3231 34.2054 175.5249 103 N 4.7840 8.0948 112.7436 52.9990 38.6438 173.9930 104 Y 4.6436 7.8862 121.5339 57.7280 39.2683 175.9387 105 R 4.1758 8.8844 125.9595 56.1651 31.2211 176.8813 106 G 3.7836 5.3800 106.2872 43.6497 0.0000 172.6312 107 E 4.6542 8.4144 118.5288 55.7439 31.3392 176.0938 108 V 5.0228 8.9373 122.5241 61.2363 34.9231 174.1919 109 A 4.7185 8.7256 127.2396 50.0704 23.0849 174.5309 110 S 5.3528 8.3315 113.8782 55.3034 65.3759 172.7325 111 F 6.2526 8.8319 121.5695 54.5044 40.3409 174.4464 112 F 5.9755 8.2454 115.9946 54.2945 41.3659 173.7996 113 T 5.0800 8.1752 109.5830 60.5208 72.0190 172.7143 114 S 4.8394 8.4335 115.8280 57.9882 65.8951 173.9887 115 A 4.5462 8.6631 120.0859 52.2711 18.6779 177.9711 116 G 4.1167 9.0118 106.8913 46.5907 0.0000 174.1042 117 T 4.5220 7.0149 107.8341 60.6155 72.0738 172.7131 118 N 4.2863 8.6320 116.3313 55.2802 36.1112 176.8921 119 H 3.9474 8.1671 117.4132 58.7955 28.8934 177.2381 120 K 3.9386 8.0481 119.6291 59.4364 31.8391 179.0398 121 A 3.7054 7.8194 120.4608 55.0333 18.3397 178.6750 122 Y 3.8115 7.5953 119.0996 60.0674 38.7825 178.5744 123 V 3.6900 7.8611 118.8814 66.2493 31.6493 178.0535 124 S 4.0365 7.9165 114.6191 62.0641 62.5931 176.6010 125 H 3.9807 7.9588 119.0775 58.3939 28.2418 177.5503 126 F 3.5416 8.0225 122.8629 61.3364 38.9405 176.9432 127 N 4.3032 7.9880 114.5914 56.2013 38.5284 176.8452 128 E 4.1030 8.0699 119.9720 59.5612 29.4543 179.5674 129 W 4.2552 8.1445 117.3545 59.2346 29.2169 177.4115 130 A 4.2939 7.6488 119.3353 50.7106 18.2671 176.2054 131 D 4.4104 7.4067 119.5351 56.7205 41.5734 176.7081 132 G 4.0126 9.0999 114.4427 45.0669 0.0000 173.2519 133 L 4.5654 7.5758 118.9746 53.1817 43.5753 176.4897 134 N 4.6219 8.2252 120.3340 52.8815 38.5263 172.3173 135 V 4.5735 8.0975 123.8076 62.0702 31.9292 175.1346 136 I 4.2464 8.8067 122.1661 60.6343 38.7698 175.8100 137 G 4.3409 7.1089 111.3286 46.4657 0.0000 171.9531 138 V 5.2848 8.4176 119.2958 61.3315 34.6376 173.9689 139 A 4.6829 9.1990 127.6023 50.7856 23.3630 175.1491 140 R 2.7775 7.9407 119.6495 56.1800 31.1086 176.4462 141 D 4.0600 8.4448 125.6863 56.1531 40.2122 174.2791 142 D 4.6074 8.1812 125.3888 53.9682 39.6363 178.7442 143 S 3.9858 7.6244 117.0480 61.1886 63.0067 174.8283 144 E 4.1483 7.0647 118.1282 55.2118 30.7081 177.4090 145 V 3.3195 7.0646 121.0064 66.1255 31.1161 177.8682 146 D 4.2687 7.6656 116.7391 57.2349 40.9382 178.0010 147 K 4.0034 7.8173 119.5012 59.6199 31.9287 178.6517 148 W 4.5396 8.0090 117.9513 59.4486 29.0199 178.2319 149 S 4.4003 7.8847 112.6609 60.1411 62.6876 174.3603 150 K 4.2000 7.7518 126.6084 56.5784 31.9788 176.2238 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 0 G 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 A 7.52 4.07 1.30 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 0.00 0.00 0.00 3 K 8.56 4.33 0.00 1.84 1.87 0.00 1.94 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 4 K 9.43 4.26 0.00 1.89 1.89 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.62 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.60 1.55 7.81 5 T 8.82 5.25 4.32 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 1.27 0.00 0.00 6 L 8.56 4.92 0.00 0.27 0.86 0.70 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.95 5.07 1.97 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 1.28 0.73 1.15 0.00 0.00 8 L 9.47 5.87 0.00 1.54 1.54 0.92 0.65 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 9 Y 7.97 5.29 0.00 3.02 3.15 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 10 Y 8.67 5.16 0.00 2.98 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 11 S 7.48 4.33 0.00 3.97 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 W 8.98 4.42 0.00 3.62 3.50 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 13 S 8.53 4.34 0.00 3.92 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 14 G 8.27 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 15 E 8.07 3.96 0.00 2.03 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 2.33 0.00 16 T 7.91 4.06 4.29 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 1.27 0.00 0.00 17 K 8.17 3.11 0.00 1.82 1.93 0.00 1.97 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.26 7.81 18 K 8.07 4.50 0.00 2.02 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 *20 A 8.11 4.13 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 21 E 8.14 3.89 0.00 2.10 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 2.28 2.27 0.00 22 K 7.78 3.87 0.00 1.67 1.72 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.41 7.81 23 I 7.38 3.93 1.60 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.71 0.00 0.00 24 N 8.66 4.33 0.00 2.90 3.01 0.00 0.00 6.57 7.23 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 25 S 7.86 4.17 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.11 4.37 0.00 2.16 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 2.24 2.43 0.00 27 I 7.07 4.31 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 0.95 0.00 0.00 28 K 8.59 4.01 0.00 1.72 1.75 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.49 7.81 29 D 8.99 4.55 0.00 2.92 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 30 S 7.89 4.65 0.00 3.96 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 31 E 8.95 4.79 0.00 2.02 1.94 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 2.33 2.36 0.00 32 L 8.49 5.32 0.00 1.65 1.58 1.16 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.30 4.72 0.00 1.64 1.61 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.51 7.81 34 E 8.77 3.76 0.00 1.82 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 0.00 2.03 1.52 0.00 35 V 8.19 4.40 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 0.85 0.00 0.00 0.91 0.00 0.00 36 K 9.08 4.99 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81 37 V 8.61 5.08 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 0.81 0.00 0.00 1.17 0.00 0.00 38 S 8.46 4.32 0.00 4.00 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 39 E 8.49 4.16 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 40 G 8.92 4.06 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 0.00 41 T 7.74 3.83 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 42 F 7.70 5.37 0.00 3.42 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 43 D 8.90 4.91 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.79 4.16 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 45 D 8.72 4.79 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 *47 Y 8.37 4.46 0.00 3.24 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 48 K 8.62 4.01 0.00 2.02 1.90 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.73 7.81 49 T 7.83 3.75 3.50 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 -0.22 0.00 0.00 50 S 7.45 3.52 0.00 3.46 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 51 D 8.02 4.30 0.00 2.88 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 52 I 7.86 3.65 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 1.07 0.00 0.00 53 A 8.01 4.32 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 54 L 8.12 3.78 0.00 1.78 1.79 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.07 4.28 0.00 2.95 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 56 Q 7.55 4.13 0.00 1.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 57 I 7.40 3.73 1.82 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 1.61 0.40 0.46 0.00 0.00 58 Q 7.95 4.32 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.61 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 59 G 7.86 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 0.00 0.00 0.00 60 N 8.06 4.61 0.00 3.02 2.85 0.00 0.00 6.67 7.25 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 61 K 7.43 4.66 0.00 1.61 1.54 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.31 7.81 62 D 8.40 4.71 0.00 2.64 2.61 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 63 F 8.66 4.00 0.00 2.85 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 64 P 0.00 4.44 0.00 2.07 1.84 0.00 3.91 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 1.99 2.04 0.00 65 E 8.46 4.19 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 66 I 7.96 4.92 1.88 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 1.33 0.67 0.88 0.00 0.00 67 Q 9.02 4.85 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 68 L 8.29 4.48 0.00 1.61 1.60 1.02 0.84 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 69 D 8.65 4.50 0.00 2.69 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 70 N 8.53 4.47 0.00 2.68 2.72 0.00 0.00 6.73 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 71 I 7.77 4.38 1.24 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.85 0.00 0.00 72 D 8.35 4.49 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.11 4.41 0.00 3.21 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.41 4.96 0.00 2.99 2.93 0.00 0.00 7.06 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 75 N 8.25 4.43 0.00 2.18 2.23 0.00 0.00 6.69 6.97 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 76 Y 7.65 4.93 0.00 3.23 3.07 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 77 D 9.14 4.78 0.00 2.72 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 78 L 8.08 5.40 0.00 1.82 1.56 0.98 1.21 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 79 I 8.99 4.91 1.62 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.41 0.72 0.00 0.00 80 L 9.06 5.07 0.00 1.77 1.96 1.09 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 81 I 8.84 4.89 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 1.01 0.00 0.00 82 G 8.86 3.66 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 0.00 0.00 0.00 83 S 7.89 5.35 0.00 3.97 3.86 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 84 P 0.00 4.96 0.00 2.23 2.16 0.00 3.78 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 1.36 1.90 0.00 85 V 8.36 4.18 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 0.81 0.00 0.00 0.53 0.00 0.00 86 W 9.55 4.77 0.00 3.57 2.97 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 87 S 9.72 3.93 0.00 4.09 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 88 G 8.46 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 0.00 0.00 0.00 89 Y 7.89 4.31 0.00 3.21 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.91 0.00 2.13 2.00 0.00 2.32 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.00 91 A 8.46 3.61 0.06 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 92 T 8.68 4.22 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 93 P 0.00 4.25 0.00 1.75 1.92 0.00 3.13 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 2.09 0.00 94 I 8.00 3.80 2.33 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.09 1.18 0.00 0.00 95 K 7.76 3.44 0.00 0.79 0.83 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.31 0.39 7.81 96 T 7.56 3.67 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 97 L 7.64 3.89 0.00 1.61 1.86 0.90 0.93 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 98 L 7.76 4.00 0.00 1.63 1.57 0.66 1.25 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 99 D 7.72 4.42 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.69 4.24 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 *102 K 7.86 4.28 0.00 2.13 1.88 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.04 7.81 103 N 8.09 4.78 0.00 2.84 2.88 0.00 0.00 6.85 7.46 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 0.00 104 Y 7.89 4.64 0.00 3.01 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 0.00 105 R 8.88 4.18 0.00 1.68 1.82 0.00 3.17 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 106 G 5.38 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 0.00 107 E 8.41 4.65 0.00 2.16 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 0.00 2.31 2.26 0.00 108 V 8.94 5.02 2.19 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 1.15 0.00 0.00 1.16 0.00 0.00 109 A 8.73 4.72 -0.34 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 0.00 110 S 8.33 5.35 0.00 2.72 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 0.00 111 F 8.83 6.25 0.00 3.24 3.32 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 0.00 112 F 8.25 5.98 0.00 2.61 2.16 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 0.00 113 T 8.18 5.08 4.29 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 1.27 0.00 0.00 114 S 8.43 4.84 0.00 3.98 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 0.00 115 A 8.66 4.55 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 0.00 116 G 9.01 4.12 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 0.00 117 T 7.01 4.52 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 118 N 8.63 4.29 0.00 2.96 2.96 0.00 0.00 6.86 8.16 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 0.00 119 H 8.17 3.95 0.00 3.17 3.31 0.00 5.65 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 0.00 120 K 8.05 3.94 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.52 7.81 121 A 7.82 3.71 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 0.00 122 Y 7.60 3.81 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.86 3.69 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 1.05 0.00 0.00 1.16 0.00 0.00 124 S 7.92 4.04 0.00 3.73 3.71 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 0.00 125 H 7.96 3.98 0.00 2.46 2.45 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.02 3.54 0.00 2.55 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 7.99 4.30 0.00 2.98 2.87 0.00 0.00 7.12 7.33 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 0.00 128 E 8.07 4.10 0.00 2.22 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 0.00 2.36 2.47 0.00 129 W 8.14 4.26 0.00 3.03 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 0.00 130 A 7.65 4.29 0.98 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 0.00 131 D 7.41 4.41 0.00 2.74 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 0.00 132 G 9.10 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 0.00 0.00 0.00 133 L 7.58 4.57 0.00 1.72 1.65 0.90 0.92 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 0.00 134 N 8.23 4.62 0.00 2.80 2.88 0.00 0.00 6.58 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.10 4.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.09 0.00 0.00 136 I 8.81 4.25 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.45 0.92 0.00 0.00 137 G 7.11 4.34 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 0.00 138 V 8.42 5.28 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 1.16 0.00 0.00 0.91 0.00 0.00 139 A 9.20 4.68 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 0.00 140 R 7.94 2.78 0.00 1.37 1.47 0.00 3.38 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.00 141 D 8.44 4.06 0.00 2.63 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 0.00 0.00 0.00 142 D 8.18 4.61 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 7.62 3.99 0.00 3.85 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 0.00 144 E 7.06 4.15 0.00 1.16 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 1.98 2.03 0.00 145 V 7.06 3.32 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 0.96 0.00 0.00 0.73 0.00 0.00 146 D 7.67 4.27 0.00 2.57 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 0.00 147 K 7.82 4.00 0.00 1.76 1.76 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.57 7.81 148 W 8.01 4.54 0.00 3.53 3.11 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 0.00 149 S 7.88 4.40 0.00 4.10 4.16 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 0.00 150 K 7.75 4.20 0.00 1.76 1.78 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.