NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.6670 8.1927 115.5709 57.7843 66.0452 172.9687 6 L 4.4529 7.9573 124.7526 55.2034 43.1084 173.9511 7 Y 5.0823 9.7243 123.2384 56.2831 43.4379 173.6653 8 R 5.1728 8.9027 120.7882 54.6042 33.9975 173.7213 9 L 5.3080 9.2736 127.1889 53.3481 45.7007 174.8938 10 I 5.1662 8.9779 127.0063 59.6998 40.3568 174.2112 11 Y 5.4434 8.6743 123.7908 55.5230 42.1280 173.8378 12 S 5.3695 9.1948 114.1320 57.0379 67.0258 172.6852 13 S 4.8900 9.0346 114.2764 57.9335 67.1996 172.7075 14 Q 4.7742 8.8837 119.4576 53.9096 30.0826 176.1751 15 G 4.3324 9.1904 113.1590 45.8845 0.0000 173.2018 16 I 4.1038 8.7145 116.4200 60.0240 38.3869 175.2926 17 P 4.2865 0.0000 0.0000 66.4878 31.2449 177.7910 *18 N 4.7150 7.9774 111.7370 51.9373 37.8918 177.6069 19 L 4.1605 7.2971 117.5277 56.4174 42.2954 176.7459 20 Q 4.6755 9.1488 121.7977 52.9749 31.9078 174.7190 21 P 3.8953 0.0000 0.0000 66.1493 31.0317 178.9743 22 Q 3.8843 7.8786 116.0948 58.9344 28.5985 178.4144 23 D 4.2591 7.8247 119.8775 57.2306 40.7644 178.8256 24 L 3.7988 7.4312 118.9610 57.4647 41.5129 179.1475 25 K 4.0545 7.7637 119.7021 59.6851 32.0345 178.4403 26 D 4.3491 8.2391 119.1407 57.4294 40.6899 178.7328 27 I 3.6173 7.7745 120.1957 64.3603 37.1281 178.2116 28 L 4.0375 8.0790 122.3559 57.6642 41.9590 178.6679 29 E 4.0013 8.5305 118.8121 59.6110 29.4536 179.5214 30 S 4.1124 8.2720 115.3111 61.7402 62.4364 177.0312 31 S 4.1544 8.2911 117.0150 61.6790 62.5194 176.4769 32 Q 4.1359 8.4322 120.9194 58.1112 28.4696 178.2845 33 R 4.0520 7.8275 119.6225 59.1940 30.1950 177.5460 34 N 4.6266 8.0863 115.6573 55.4938 39.0157 177.1495 35 N 4.4095 8.4881 118.2928 55.8939 38.6751 175.2366 36 P 4.2490 0.0000 0.0000 65.8130 31.2580 178.5386 37 A 4.0633 7.9848 118.0315 54.8383 18.4892 177.8060 38 N 4.5699 7.7240 109.9295 53.0039 38.9491 175.6373 39 G 3.9382 7.8706 106.2618 46.4390 0.0000 173.5910 40 I 4.5553 7.9237 120.9307 59.9446 38.4501 175.3581 41 T 5.1091 8.8733 113.1090 58.0393 71.9406 174.0805 42 G 4.1623 7.2946 106.4746 46.2901 0.0000 170.6426 43 L 4.7522 7.2853 120.3773 53.8273 45.8768 175.1629 44 L 5.1257 9.1113 128.0925 53.4642 45.1336 174.7099 45 C 5.4238 9.5027 123.4901 58.1199 31.9082 172.2896 46 Y 5.0323 8.9094 123.0797 56.1467 41.1767 174.1864 47 S 4.7561 8.4905 122.7409 54.3221 63.8192 172.1049 48 K 3.1221 7.4476 123.4134 55.9686 32.3343 174.8877 49 P 4.6067 0.0000 0.0000 62.8803 32.7825 175.0195 50 A 4.9293 7.9071 123.8818 51.3588 20.7116 176.5275 51 F 5.4884 9.1465 119.7318 55.9189 42.2070 174.7655 52 L 5.1116 8.8706 123.0813 53.4402 45.3068 174.9973 53 Q 4.9442 8.6114 126.7531 54.1697 33.1374 173.6679 54 V 4.8676 8.5343 124.7085 59.8001 34.3921 174.3627 55 L 5.2752 9.0837 123.4537 53.0448 45.3649 175.3259 56 E 5.1944 10.0969 122.0012 54.0658 33.8994 176.4452 57 G 4.0855 7.8387 108.5121 45.1634 0.0000 171.3794 58 E 4.5075 7.9833 119.2190 55.8508 31.6389 177.5504 59 C 3.6312 8.7038 125.7504 62.7164 31.4554 175.8399 60 E 3.8773 8.0723 119.9835 59.5091 29.1736 178.7066 61 Q 3.9738 7.9768 117.4693 58.8772 28.8066 178.5804 62 V 3.6420 8.1787 119.6985 66.1782 31.5772 177.9120 63 N 4.4525 8.2756 116.1533 56.1888 38.4688 176.9889 64 E 3.9485 8.4509 120.9478 59.6182 29.6648 179.0148 65 T 3.8291 8.0937 115.6977 66.7463 68.4769 175.8104 66 Y 3.9743 8.3011 121.6649 61.3115 38.6111 178.1684 67 H 3.7654 7.9737 115.3301 58.3618 28.9820 177.6378 68 R 3.9450 7.8292 120.6024 59.4453 29.9695 178.4455 69 I 3.5715 7.7801 119.9029 64.6350 36.8933 178.8247 70 V 3.3813 7.1818 111.7286 63.9315 31.3259 177.8521 71 Q 4.2013 7.5194 115.8405 55.7306 28.8910 175.5966 72 D 4.3893 7.8306 124.6396 54.3948 41.5803 177.3630 73 E 4.1647 8.7533 122.5061 58.0453 30.0643 174.3158 74 R 4.4168 8.6731 116.3049 57.8706 30.5171 175.4630 75 H 5.4455 7.8620 112.7382 54.8995 31.6729 171.7393 76 H 4.7882 8.9340 115.4471 54.6694 31.9913 172.7970 77 S 3.9376 8.7326 112.6972 58.9438 59.9178 171.6364 78 P 4.6061 0.0000 0.0000 62.9932 32.2371 176.1141 79 Q 4.6111 9.5464 120.4242 53.9482 31.5871 174.9045 80 I 4.0275 8.5136 126.0040 61.8424 37.0922 176.1883 81 I 4.2015 9.0288 128.7369 63.2808 38.2486 176.0526 82 E 4.7625 7.8036 120.6017 55.1071 33.2539 173.5805 83 C 5.2066 8.3199 125.3590 58.6719 34.4853 172.6773 84 M 4.3921 8.7360 123.4164 53.5723 36.7407 172.6795 85 P 3.9787 0.0000 0.0000 62.5960 32.1127 175.7127 86 I 4.5875 8.2057 115.6590 59.3064 40.1242 175.7736 87 R 4.2064 8.6938 122.1006 58.4864 30.5738 177.1761 88 R 4.6562 7.3303 110.9983 54.6347 31.9885 174.9027 89 R 4.3911 8.3728 118.5819 56.5500 30.7259 176.2698 90 N 4.7946 9.8008 115.9505 52.9756 40.7317 175.5831 91 F 4.9124 8.4968 117.6014 56.9674 39.5377 177.2550 92 E 4.2667 8.2490 119.8947 58.5578 29.7174 178.2599 93 V 3.5377 7.2840 111.6423 62.8645 31.8917 176.4238 94 W 5.0762 7.8110 119.2953 54.3233 32.1904 175.8748 95 S 4.4315 8.9989 117.6063 61.1649 63.2580 173.8681 96 M 4.9907 7.9433 116.8128 54.0531 35.1121 173.5772 97 Q 4.6002 8.6217 124.5091 54.1418 32.9893 173.8958 98 A 5.1700 8.4373 125.6596 50.3342 22.9031 175.0338 99 I 4.7529 8.6685 122.5745 59.6340 41.1439 174.8942 100 T 4.8012 9.5898 124.7273 63.2615 69.4319 174.5516 101 V 4.4630 8.8835 126.2517 61.6489 34.3263 173.8758 102 N 4.9803 8.7872 126.0902 52.4688 39.5792 174.5126 103 D 4.6813 8.6136 117.2552 55.6990 41.0011 176.8065 104 L 4.4633 7.6270 118.2108 54.6430 42.2025 176.9094 105 S 4.4511 7.8129 115.5497 58.1886 63.5718 174.8428 106 T 4.1215 8.2661 118.4798 63.6349 70.1131 175.5880 107 E 3.9825 8.7314 122.7884 59.4989 29.5354 179.3874 108 Q 3.9564 8.1077 119.2710 59.3591 29.1168 178.6999 109 V 3.7360 7.7646 118.5690 65.9641 31.7425 177.8661 110 K 4.0537 8.3603 118.4071 59.9492 31.7918 179.4442 111 T 3.9316 8.3302 116.2610 66.3265 68.0877 176.5135 112 L 4.0627 7.7088 121.1538 58.1229 42.4739 178.7968 113 V 3.7994 8.1657 118.1928 66.1808 31.3525 177.7622 114 L 4.1472 8.0748 121.2510 57.4502 41.6502 178.6213 115 K 3.7461 8.1458 119.2285 58.7033 31.9978 176.7147 116 Y 4.7545 7.2501 113.2070 57.2909 38.5902 174.6123 117 S 4.5382 7.5732 114.0635 57.5203 65.9080 175.2908 118 G 3.3500 8.5578 108.6433 47.7372 0.0000 172.9965 119 F 4.7700 7.4865 117.2601 56.3823 43.2367 174.6889 120 T 4.3367 8.6560 114.7318 63.1498 67.4819 173.9961 121 T 4.4520 7.5927 110.8986 60.1732 70.4745 174.0157 122 L 3.8791 8.3146 127.1319 55.0296 42.4040 176.7141 123 R 4.4468 8.0831 124.8352 53.1695 31.4807 173.7088 124 P 4.1704 0.0000 0.0000 65.3926 31.6001 178.8923 125 S 4.2290 8.1044 110.4891 60.0914 62.9625 174.3689 126 A 4.6723 8.0383 123.5809 51.9481 18.9865 176.1902 127 M 4.9839 7.7528 116.5830 53.7463 35.5615 175.9134 128 D 4.7533 9.0252 123.0687 51.9045 42.3621 175.8948 129 P 4.2108 0.0000 0.0000 65.7559 31.1476 178.5973 130 E 3.9436 8.2145 117.6945 59.2066 29.5563 178.7926 131 Q 3.9383 8.7576 118.4915 59.0297 28.7709 178.2433 132 C 4.0895 8.2287 117.9080 62.7740 28.1363 175.9042 133 L 4.0026 8.0199 121.7074 58.5031 41.7327 178.8848 134 N 4.2348 8.1535 116.3702 55.8760 38.3810 177.0752 135 F 3.9086 7.7919 122.4860 61.3659 39.4120 177.1836 136 L 3.8597 8.1476 118.4281 57.7903 41.5491 179.5203 137 L 3.9285 8.3707 119.2107 58.0345 41.3302 179.4275 138 D 4.3896 7.9171 117.7346 57.2153 41.1518 178.3258 139 I 3.8668 7.7251 119.0849 63.7468 37.4943 177.6227 140 A 4.1670 8.2786 121.9537 55.2398 17.9654 179.5585 141 K 3.7351 7.9376 117.1259 58.9813 32.3515 178.3189 142 I 4.3189 7.4962 111.0928 60.7527 38.2820 175.1436 143 Y 4.3563 7.4516 118.3205 57.9727 38.5533 175.4460 144 E 4.1172 8.6101 128.4987 56.4808 27.6142 175.9813 145 L 4.7319 8.3014 118.3413 52.6798 43.6664 176.5077 146 S 2.8200 7.6410 113.0483 59.7441 63.6226 173.1180 147 D 5.1370 7.2897 119.0353 53.0181 42.3923 174.6248 148 N 5.5905 7.5888 113.9345 52.1173 37.3531 176.0351 149 F 4.5482 8.5644 121.6008 60.5218 39.2853 176.6094 150 F 4.6969 8.2470 117.4677 58.2548 40.6844 175.9984 151 L 4.6653 7.6491 121.2058 53.6758 45.1736 174.4760 152 D 5.2769 8.4247 128.6733 56.0583 43.4810 176.5816 153 L 4.1537 8.3001 117.6938 55.4537 41.7304 169.8053 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 5 S 8.19 4.67 0.00 3.96 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 0.00 6 L 7.96 4.45 0.00 1.93 1.77 0.98 0.61 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 7 Y 9.72 5.08 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.90 5.17 0.00 1.88 1.71 0.00 3.17 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 9 L 9.27 5.31 0.00 1.70 1.46 0.41 0.66 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 10 I 8.98 5.17 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.90 0.00 0.00 11 Y 8.67 5.44 0.00 3.21 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 12 S 9.19 5.37 0.00 4.02 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 13 S 9.03 4.89 0.00 4.18 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 0.00 14 Q 8.88 4.77 0.00 1.63 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 15 G 9.19 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 0.00 0.00 0.00 0.00 16 I 8.71 4.10 1.92 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 1.48 0.83 1.06 0.00 0.00 17 P 0.00 4.29 0.00 2.07 2.18 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 *18 N 7.98 4.71 0.00 2.74 2.70 0.00 0.00 6.67 7.79 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 19 L 7.30 4.16 0.00 1.60 1.43 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.15 4.68 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 21 P 0.00 3.90 0.00 1.98 1.88 0.00 3.51 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 2.02 2.08 0.00 22 Q 7.88 3.88 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 23 D 7.82 4.26 0.00 2.72 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 24 L 7.43 3.80 0.00 1.18 0.62 0.37 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.76 4.05 0.00 1.77 1.93 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.54 1.72 7.81 26 D 8.24 4.35 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.77 3.62 1.98 0.00 0.00 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 1.26 0.66 0.78 0.00 0.00 28 L 8.08 4.04 0.00 1.95 1.96 0.92 0.73 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 29 E 8.53 4.00 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 30 S 8.27 4.11 0.00 4.07 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 31 S 8.29 4.15 0.00 4.05 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 32 Q 8.43 4.14 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 33 R 7.83 4.05 0.00 2.01 2.17 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 34 N 8.09 4.63 0.00 2.81 2.84 0.00 0.00 7.05 6.93 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 35 N 8.49 4.41 0.00 2.94 3.13 0.00 0.00 7.00 7.58 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 36 P 0.00 4.25 0.00 2.18 2.15 0.00 3.57 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 2.28 2.23 0.00 37 A 7.98 4.06 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 38 N 7.72 4.57 0.00 2.91 2.89 0.00 0.00 6.99 7.53 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 39 G 7.87 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 40 I 7.92 4.56 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.97 0.00 0.00 41 T 8.87 5.11 4.69 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 1.33 0.00 0.00 42 G 7.29 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 0.00 0.00 0.00 43 L 7.29 4.75 0.00 1.71 1.07 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.11 5.13 0.00 1.71 1.59 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.50 5.42 0.00 2.95 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 46 Y 8.91 5.03 0.00 3.04 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 S 8.49 4.76 0.00 3.79 3.57 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 48 K 7.45 3.12 0.00 1.55 1.56 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 1.25 7.81 49 P 0.00 4.61 0.00 2.08 2.23 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 50 A 7.91 4.93 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 51 F 9.15 5.49 0.00 3.17 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 52 L 8.87 5.11 0.00 1.71 1.48 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.61 4.94 0.00 1.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 54 V 8.53 4.87 1.80 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 -0.28 0.00 0.00 0.75 0.00 0.00 55 L 9.08 5.28 0.00 1.63 1.64 1.17 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.10 5.19 0.00 1.95 1.88 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 2.35 2.37 0.00 57 G 7.84 4.09 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 0.00 0.00 0.00 58 E 7.98 4.51 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 59 C 8.70 3.63 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.07 3.88 0.00 2.03 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 2.37 2.38 0.00 61 Q 7.98 3.97 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 62 V 8.18 3.64 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 1.19 0.00 0.00 1.09 0.00 0.00 63 N 8.28 4.45 0.00 3.01 2.91 0.00 0.00 6.69 7.05 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 64 E 8.45 3.95 0.00 2.07 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 2.31 2.50 0.00 65 T 8.09 3.83 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 66 Y 8.30 3.97 0.00 3.00 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 67 H 7.97 3.77 0.00 3.15 3.28 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 68 R 7.83 3.94 0.00 1.95 2.11 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 69 I 7.78 3.57 1.72 0.00 0.00 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 1.47 0.67 0.82 0.00 0.00 70 V 7.18 3.38 1.79 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 -0.20 0.00 0.00 0.76 0.00 0.00 71 Q 7.52 4.20 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 72 D 7.83 4.39 0.00 2.74 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 73 E 8.75 4.16 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 74 R 8.67 4.42 0.00 1.93 2.01 0.00 3.05 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 75 H 7.86 5.45 0.00 3.50 3.46 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.93 4.79 0.00 3.24 3.43 0.00 5.41 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.73 3.94 0.00 4.06 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 78 P 0.00 4.61 0.00 2.22 1.93 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 79 Q 9.55 4.61 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 80 I 8.51 4.03 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.41 0.81 0.00 0.00 81 I 9.03 4.20 2.01 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 1.14 0.75 0.92 0.00 0.00 82 E 7.80 4.76 0.00 2.00 1.72 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 2.27 2.30 0.00 83 C 8.32 5.21 0.00 2.93 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 84 M 8.74 4.39 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 85 P 0.00 3.98 0.00 1.73 1.78 0.00 3.35 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 86 I 8.21 4.59 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.87 0.00 0.00 87 R 8.69 4.21 0.00 1.81 2.01 0.00 3.38 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 88 R 7.33 4.66 0.00 1.85 1.84 0.00 3.18 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 89 R 8.37 4.39 0.00 1.84 2.12 0.00 3.18 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 90 N 9.80 4.79 0.00 2.22 2.19 0.00 0.00 6.80 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.50 4.91 0.00 3.38 3.10 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 92 E 8.25 4.27 0.00 2.06 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 0.00 2.22 2.23 0.00 93 V 7.28 3.54 1.45 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 0.52 0.00 0.00 0.84 0.00 0.00 94 W 7.81 5.08 0.00 3.42 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.00 4.43 0.00 3.97 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 0.00 96 M 7.94 4.99 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 97 Q 8.62 4.60 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 98 A 8.44 5.17 1.22 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 0.00 0.00 99 I 8.67 4.75 1.66 0.00 0.00 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 0.90 0.82 0.31 0.00 0.00 100 T 9.59 4.80 4.36 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 1.37 0.00 0.00 101 V 8.88 4.46 2.15 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 1.16 0.00 0.00 1.08 0.00 0.00 102 N 8.79 4.98 0.00 2.83 2.79 0.00 0.00 6.65 7.67 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 0.00 103 D 8.61 4.68 0.00 2.65 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 0.00 104 L 7.63 4.46 0.00 1.65 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.81 4.45 0.00 4.07 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 0.00 106 T 8.27 4.12 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 1.28 0.00 0.00 107 E 8.73 3.98 0.00 1.99 2.02 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 2.42 2.33 0.00 108 Q 8.11 3.96 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 109 V 7.76 3.74 2.32 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 1.22 0.00 0.00 1.11 0.00 0.00 110 K 8.36 4.05 0.00 2.02 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.68 7.81 111 T 8.33 3.93 4.41 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 1.21 0.00 0.00 112 L 7.71 4.06 0.00 2.05 2.08 0.93 1.55 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 0.00 113 V 8.17 3.80 2.37 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 0.84 0.00 0.00 1.12 0.00 0.00 114 L 8.07 4.15 0.00 1.96 1.82 0.88 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.15 3.75 0.00 1.74 1.68 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.49 1.17 7.81 116 Y 7.25 4.75 0.00 3.09 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 0.00 117 S 7.57 4.54 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.56 3.35 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 0.00 119 F 7.49 4.77 0.00 3.09 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 0.00 120 T 8.66 4.34 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 1.29 0.00 0.00 121 T 7.59 4.45 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 1.26 0.00 0.00 122 L 8.31 3.88 0.00 1.44 1.51 0.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.08 4.45 0.00 1.85 1.78 0.00 3.18 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 124 P 0.00 4.17 0.00 2.16 2.09 0.00 3.55 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 125 S 8.10 4.23 0.00 3.98 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 0.00 126 A 8.04 4.67 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 0.00 127 M 7.75 4.98 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 128 D 9.03 4.75 0.00 2.90 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 0.00 129 P 0.00 4.21 0.00 2.18 2.15 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 130 E 8.21 3.94 0.00 2.05 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 0.00 2.41 2.42 0.00 131 Q 8.76 3.94 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 132 C 8.23 4.09 0.00 3.11 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 0.00 133 L 8.02 4.00 0.00 1.84 1.87 1.12 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.15 4.23 0.00 2.40 2.51 0.00 0.00 6.72 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 0.00 135 F 7.79 3.91 0.00 2.90 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.15 3.86 0.00 2.06 1.73 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.37 3.93 0.00 1.80 1.64 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.92 4.39 0.00 2.86 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 0.00 139 I 7.73 3.87 1.30 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 1.54 1.51 0.74 0.00 0.00 140 A 8.28 4.17 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.94 3.74 0.00 1.97 2.02 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 142 I 7.50 4.32 1.71 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 1.86 0.55 0.93 0.00 0.00 143 Y 7.45 4.36 0.00 2.90 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 0.00 144 E 8.61 4.12 0.00 2.31 1.69 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 2.31 2.45 0.00 145 L 8.30 4.73 0.00 1.88 1.53 0.97 0.83 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 0.00 146 S 7.64 2.82 0.00 3.18 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 0.00 147 D 7.29 5.14 0.00 1.58 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 0.00 0.00 0.00 148 N 7.59 5.59 0.00 2.93 2.88 0.00 0.00 6.44 7.43 0.00 0.00 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 F 8.56 4.55 0.00 2.50 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 0.00 150 F 8.25 4.70 0.00 3.09 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 0.00 151 L 7.65 4.67 0.00 1.77 1.54 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.42 5.28 0.00 2.75 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 0.00 153 L 8.30 4.15 0.00 1.65 1.34 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.