NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 C 4.5010 8.5545 118.1669 57.4273 36.2797 172.5539 *13 D 4.2047 8.9880 115.7186 51.7380 39.2042 178.2493 *14 N 4.1909 8.4675 112.9716 56.4274 38.7761 171.0761 15 F 4.4391 9.0982 111.2384 59.3637 38.2429 175.3264 16 P 3.8165 0.0000 0.0000 65.7289 31.6313 177.6955 *21 Q 4.3125 7.7032 115.5950 56.0381 30.9263 179.2508 22 M 4.0033 7.8196 118.5871 59.4848 31.5359 180.4409 23 L 4.2383 8.2282 120.0819 57.7128 41.6138 179.2597 24 R 3.8888 7.9347 118.4730 59.8887 29.8371 177.8537 25 D 4.3451 7.5971 117.1164 57.6333 40.8855 178.9425 26 L 3.7533 7.8234 119.9737 58.1686 42.0594 179.0585 27 R 4.0873 8.0787 118.1630 59.0293 29.7029 178.6196 28 D 4.3532 8.9124 119.2745 57.4486 40.3913 178.6826 29 A 4.1058 8.7837 122.1200 55.2162 18.3313 179.4958 30 F 4.0484 8.3590 119.1465 61.4539 39.2445 177.6266 31 S 3.9864 8.2879 114.5115 61.4652 62.6553 176.5082 32 R 4.0746 7.5929 118.5134 57.8238 30.2538 178.1159 33 V 4.4376 7.1029 117.4010 61.7383 32.4669 177.5587 34 K 3.5296 7.4516 121.5832 59.9640 31.6767 178.5035 35 T 3.8157 7.7636 107.6294 64.2545 68.6699 175.4033 36 F 4.0984 8.0178 118.6308 58.1176 39.2166 176.1184 37 F 4.3250 8.1598 118.7767 59.3225 39.7029 176.4648 *38 Q 4.4138 7.3137 115.8458 53.4618 33.9523 174.5440 39 T 3.1765 7.7055 116.9075 60.0574 64.9425 173.2771 *40 K 4.7298 8.3436 132.6823 53.0609 31.4669 174.4712 *41 D 4.0382 9.9853 124.3325 53.7606 40.5004 179.9256 42 E 3.7489 9.5046 124.9654 53.6452 28.8483 175.6037 *43 V 3.8049 8.7448 120.9678 61.6451 33.0786 175.2452 *44 D 4.4521 8.5103 115.7441 54.8307 38.6975 184.5653 45 N 4.7892 9.2172 121.1229 51.1753 37.9907 177.0227 46 L 4.1601 8.3269 124.3923 54.2951 42.4866 177.7197 47 L 4.1338 8.5577 124.1030 57.8576 42.4447 177.9702 48 L 4.2943 7.5226 120.3339 53.2787 40.3866 176.2283 49 K 4.3618 7.6781 123.3673 55.2598 34.7592 178.4742 50 E 4.0175 8.5380 117.5404 58.8214 29.1270 179.4184 51 S 4.0773 8.0224 114.6291 61.4940 62.7798 176.1969 52 L 3.8090 7.7019 123.5013 57.6564 41.8520 178.6949 53 L 3.6647 7.4688 119.6738 57.4935 41.9946 178.7214 54 E 3.9478 7.9543 118.9343 59.3503 29.2885 178.5556 55 D 4.3478 7.6697 117.3274 57.7546 41.0443 178.6101 56 F 4.3993 8.2893 116.6864 60.6792 38.9533 177.4017 57 K 4.4036 7.9419 116.2978 59.4437 32.6723 178.2610 58 G 4.0229 8.2702 106.7914 44.2164 0.0000 173.2148 59 Y 4.2832 8.6733 117.2161 59.0551 38.8109 175.9452 60 L 4.1915 7.0186 120.2727 54.6162 42.1147 178.1867 61 G 3.8130 7.7835 108.4031 48.5140 0.0000 175.4106 62 C 4.2057 8.0417 120.8585 59.1243 42.2629 175.4847 63 Q 3.8762 7.9831 118.9815 58.8500 28.3771 178.4197 64 A 4.0282 7.9944 121.8297 55.0061 18.4403 179.5222 65 L 3.6386 7.5693 118.7670 58.1954 42.1299 179.0963 66 S 4.0928 8.2116 113.3940 61.4431 62.3642 175.7712 67 E 4.0186 8.6218 122.4337 59.4771 29.3294 178.7308 68 M 4.3019 8.3000 118.9526 58.2711 32.0881 178.5645 69 I 3.8259 8.3746 120.5217 64.6529 37.3078 178.2470 70 Q 4.0118 8.2175 120.2641 58.9426 28.7938 177.8249 71 F 4.1959 8.3469 121.7426 61.6372 39.4213 176.7777 72 Y 3.5916 7.9958 116.0979 60.9829 37.4526 178.5669 73 L 4.0594 8.0090 121.0557 58.0379 41.8015 179.2274 74 E 4.3854 8.0192 116.3036 59.1499 30.5441 179.1105 75 E 4.5000 8.0637 118.3029 58.2891 30.5740 178.5223 76 V 3.2254 6.7971 117.5667 65.9775 31.7123 177.6415 77 M 3.9870 8.5691 118.4962 58.1264 31.6936 177.2213 78 P 4.2374 0.0000 0.0000 65.5466 31.6327 178.7218 79 Q 3.9852 7.6507 116.7386 58.7127 28.0816 178.4114 80 A 4.1071 8.1544 121.9905 55.1930 18.1522 179.5561 81 E 4.0404 8.1488 116.4015 59.3105 29.5448 178.8053 82 N 4.5644 7.6288 115.8992 55.9223 38.8068 177.1342 83 Q 4.3374 7.9706 118.5144 57.0254 30.3849 175.7779 84 D 4.8865 7.6586 119.0535 50.8689 40.8393 173.9164 85 P 4.4309 0.0000 0.0000 65.0684 31.7735 179.4056 86 E 3.9610 8.1633 117.1161 58.4818 29.7213 177.9959 87 A 3.4141 8.0819 120.0966 53.2087 18.8432 179.3969 88 K 4.0289 7.4914 118.3276 59.7488 32.5979 177.6470 89 D 4.3631 7.8912 117.8189 57.4405 41.3513 177.9928 90 H 4.1948 7.6893 116.3246 58.7741 28.8770 177.6560 91 V 3.6002 7.9305 120.2843 65.9911 31.2510 177.3862 92 N 4.2565 8.5854 117.0764 57.0574 38.7831 176.9957 93 S 4.1076 7.9802 116.0165 61.2739 62.8315 176.5717 94 L 4.0282 7.8248 122.8825 58.1556 41.9410 179.2303 95 G 3.6245 8.4986 106.1584 47.8506 0.0000 175.2569 96 E 4.1589 8.4914 121.8805 58.9972 29.5923 178.6448 97 N 4.3910 8.0962 116.7804 55.7340 38.6226 177.2456 98 L 3.9168 7.9652 121.9868 57.9155 42.1943 179.0276 99 K 3.9222 8.4821 118.8038 59.9443 31.9250 179.3237 100 T 3.8428 8.0902 116.2059 66.5265 68.2983 176.3928 101 L 3.8936 8.0164 122.1455 58.0412 42.0485 178.8057 102 R 3.8803 7.9714 118.6112 59.4982 29.8511 178.0961 103 L 3.9860 7.8405 118.5343 58.3025 41.5073 179.9707 104 R 4.0312 7.5297 116.2207 59.2074 30.3085 178.9061 105 L 4.4066 8.2905 119.1530 57.7332 41.3578 179.6527 106 R 3.9784 8.1398 117.5543 59.4466 30.1707 179.1411 107 R 4.3145 7.7139 116.0713 57.9944 30.3808 177.0385 108 C 4.5674 8.1008 116.9526 55.5040 39.4723 173.7039 109 H 4.0175 8.4261 123.0779 58.9087 28.7104 176.9303 110 R 4.0280 7.5676 116.2037 57.6760 30.4829 177.2474 111 F 4.8702 9.0590 116.6727 58.8193 40.5261 176.3837 112 L 4.8695 7.5102 120.0039 52.8136 42.2766 174.9346 113 P 4.2459 0.0000 0.0000 66.1613 31.5830 177.8193 114 C 4.4276 8.2460 111.7797 57.2085 41.3659 173.8412 115 E 4.2484 8.0429 118.5261 56.4019 29.6605 175.6827 116 N 4.8659 8.2363 117.0847 51.9025 40.1362 174.4686 117 K 4.5790 8.0489 118.8621 54.0824 35.2300 176.8401 118 S 4.2128 8.6111 119.0465 59.0824 63.2923 176.0356 119 K 4.0746 8.7217 134.5539 59.4535 31.6081 175.3717 120 A 4.1728 7.9041 120.5395 55.4719 18.4431 179.7702 121 V 3.5355 7.6097 116.3471 66.0441 31.4852 177.8000 122 E 3.9491 8.1501 119.2085 59.2458 29.4156 178.9526 123 Q 3.9870 8.0538 117.8431 58.9545 28.7685 178.3862 124 I 3.7363 7.8363 120.8411 64.6766 37.3282 178.7023 125 K 4.0017 8.2332 118.9269 59.2965 31.8588 179.1808 126 N 4.4793 8.0307 116.4424 55.7467 38.4543 177.4991 127 A 3.9657 8.5410 122.7415 55.1653 18.3813 179.0834 128 F 4.0062 8.1918 117.9816 61.8413 39.5852 176.9606 129 N 4.4797 8.3241 115.2608 56.3609 38.1882 177.5331 130 K 3.9585 7.6457 118.0120 59.4780 32.2676 178.9578 131 L 4.0454 8.1179 117.2701 55.5621 42.2157 179.4497 132 Q 2.8571 8.4107 119.3259 56.1760 28.8502 175.7608 133 E 3.9468 8.9830 121.7442 60.8630 29.2692 178.8651 134 K 4.1388 8.1669 118.5988 59.1105 32.1562 178.8042 135 G 3.3743 8.5333 106.9452 47.7562 0.0000 175.7604 136 I 3.9288 7.4288 122.3605 64.2672 37.2307 178.1080 137 Y 3.5851 8.1047 117.5711 60.5948 37.5418 178.7689 138 K 4.2054 8.7072 120.8906 58.9107 32.0116 179.1425 139 A 4.0649 7.9724 119.7546 55.5626 18.6953 179.3642 140 M 4.2016 8.0629 117.2560 58.5305 31.9483 179.2044 141 S 4.2907 8.3040 114.3868 60.9113 63.1119 175.1901 142 E 4.5750 8.4114 121.5274 56.3654 29.4056 177.9304 143 F 4.1890 8.2553 124.3605 61.1340 39.3216 176.7926 144 D 4.4741 8.1870 118.5258 56.1539 39.3640 178.5158 145 I 3.4686 7.7147 121.5262 63.9533 36.9529 177.9639 146 F 4.1741 7.9089 121.0172 61.4895 39.1985 177.1295 147 I 3.3363 7.3990 119.2895 64.2431 36.7716 178.2384 148 N 4.3803 8.0503 117.4606 56.2964 38.2706 177.1658 149 Y 4.3248 8.2255 118.6144 61.0444 37.8399 178.3786 150 I 3.4979 7.7632 121.1234 64.3492 37.1939 177.8941 151 E 3.8928 8.1681 119.6860 59.4332 29.4261 178.7720 152 A 4.0288 8.2549 120.7439 55.1403 18.1677 179.0509 153 Y 3.9242 8.1407 117.6102 61.3090 39.0611 177.8307 154 M 4.1486 8.3599 118.4827 58.6687 32.0596 178.6782 155 T 4.1055 7.9306 117.8028 66.4845 68.9614 176.3961 156 I 4.3826 7.4698 123.4281 62.2536 36.7743 178.5452 157 K 4.1109 7.6397 128.0573 55.9521 32.3573 177.0809 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 12 C 8.55 4.50 0.00 3.30 3.34 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 *13 D 8.99 4.20 0.00 2.74 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 *14 N 8.47 4.19 0.00 2.74 2.77 0.00 0.00 6.56 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 15 F 9.10 4.44 0.00 3.11 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 16 P 0.00 3.82 0.00 2.40 2.30 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 *21 Q 7.70 4.31 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.06 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 22 M 7.82 4.00 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.20 0.00 23 L 8.23 4.24 0.00 1.76 1.81 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.93 3.89 0.00 2.18 1.95 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 25 D 7.60 4.35 0.00 2.78 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 26 L 7.82 3.75 0.00 1.73 1.80 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.08 4.09 0.00 2.07 2.02 0.00 3.21 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 28 D 8.91 4.35 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.78 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.36 4.05 0.00 3.18 3.24 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 31 S 8.29 3.99 0.00 4.01 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 32 R 7.59 4.07 0.00 1.82 1.90 0.00 3.14 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 33 V 7.10 4.44 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.10 0.00 0.00 34 K 7.45 3.53 0.00 1.25 1.59 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.35 7.81 35 T 7.76 3.82 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 1.09 0.00 0.00 36 F 8.02 4.10 0.00 2.80 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 37 F 8.16 4.32 0.00 3.29 3.28 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 *38 Q 7.31 4.41 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.30 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 39 T 7.71 3.18 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 1.17 0.00 0.00 *40 K 8.34 4.73 0.00 1.93 1.54 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.12 0.73 7.81 *41 D 9.99 4.04 0.00 2.78 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 42 E 9.50 3.75 0.00 2.11 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 2.14 1.85 0.00 *43 V 8.74 3.80 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 *44 D 8.51 4.45 0.00 2.67 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 0.00 0.00 0.00 45 N 9.22 4.79 0.00 2.73 2.67 0.00 0.00 6.58 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 46 L 8.33 4.16 0.00 1.60 1.64 0.93 1.02 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 47 L 8.56 4.13 0.00 1.61 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.52 4.29 0.00 1.66 1.57 1.01 0.92 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 49 K 7.68 4.36 0.00 1.90 1.93 0.00 1.47 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 50 E 8.54 4.02 0.00 2.00 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 2.36 2.34 0.00 51 S 8.02 4.08 0.00 3.99 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 52 L 7.70 3.81 0.00 1.64 1.54 0.86 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.47 3.66 0.00 1.63 1.76 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.95 3.95 0.00 2.03 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 0.00 2.45 2.48 0.00 55 D 7.67 4.35 0.00 2.84 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 56 F 8.29 4.40 0.00 2.91 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 57 K 7.94 4.40 0.00 1.96 1.90 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.61 7.81 58 G 8.27 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 59 Y 8.67 4.28 0.00 3.13 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 60 L 7.02 4.19 0.00 1.07 1.42 0.39 0.66 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 61 G 7.78 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 0.00 0.00 0.00 62 C 8.04 4.21 0.00 2.98 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 63 Q 7.98 3.88 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 64 A 7.99 4.03 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.57 3.64 0.00 0.97 1.51 0.72 0.63 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 66 S 8.21 4.09 0.00 3.92 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 67 E 8.62 4.02 0.00 2.23 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 0.00 2.31 2.37 0.00 68 M 8.30 4.30 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.99 0.00 69 I 8.37 3.83 2.05 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 1.45 0.73 0.95 0.00 0.00 70 Q 8.22 4.01 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 71 F 8.35 4.20 0.00 3.20 3.19 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 72 Y 8.00 3.59 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.01 4.06 0.00 1.76 1.74 0.94 0.95 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 74 E 8.02 4.39 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 2.19 2.20 0.00 75 E 8.06 4.50 0.00 1.82 1.78 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 2.25 2.29 0.00 76 V 6.80 3.23 1.63 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 0.90 0.00 0.00 -0.22 0.00 0.00 77 M 8.57 3.99 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.60 0.00 78 P 0.00 4.24 0.00 2.12 2.07 0.00 3.63 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 2.28 2.18 0.00 79 Q 7.65 3.99 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 80 A 8.15 4.11 1.26 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 0.00 0.00 81 E 8.15 4.04 0.00 2.17 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 2.33 2.52 0.00 82 N 7.63 4.56 0.00 2.87 2.88 0.00 0.00 7.05 7.51 0.00 0.00 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 Q 7.97 4.34 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.12 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 84 D 7.66 4.89 0.00 2.76 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 85 P 0.00 4.43 0.00 2.25 2.30 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 86 E 8.16 3.96 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 87 A 8.08 3.41 1.03 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 88 K 7.49 4.03 0.00 1.90 1.78 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.48 7.81 89 D 7.89 4.36 0.00 2.73 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 90 H 7.69 4.19 0.00 3.14 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.93 3.60 2.21 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 1.01 0.00 0.00 1.04 0.00 0.00 92 N 8.59 4.26 0.00 2.87 2.92 0.00 0.00 7.27 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 93 S 7.98 4.11 0.00 3.96 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 0.00 94 L 7.82 4.03 0.00 1.94 1.88 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.50 3.62 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 0.00 0.00 0.00 96 E 8.49 4.16 0.00 2.21 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 2.30 2.38 0.00 97 N 8.10 4.39 0.00 2.87 2.82 0.00 0.00 6.55 6.78 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 98 L 7.97 3.92 0.00 1.71 1.79 0.87 0.39 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 99 K 8.48 3.92 0.00 1.89 1.84 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 100 T 8.09 3.84 4.38 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 0.00 0.00 0.00 1.17 0.00 0.00 101 L 8.02 3.89 0.00 1.84 1.80 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.97 3.88 0.00 1.94 2.10 0.00 3.46 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 103 L 7.84 3.99 0.00 1.95 1.72 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.53 4.03 0.00 1.77 2.06 0.00 3.01 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 105 L 8.29 4.41 0.00 1.90 1.82 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.14 3.98 0.00 2.01 2.03 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 107 R 7.71 4.31 0.00 1.80 2.05 0.00 3.34 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 108 C 8.10 4.57 0.00 3.37 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 0.00 109 H 8.43 4.02 0.00 3.06 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.57 4.03 0.00 1.31 1.50 0.00 2.99 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 111 F 9.06 4.87 0.00 3.23 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 0.00 112 L 7.51 4.87 0.00 1.74 1.64 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.25 0.00 2.25 2.40 0.00 3.89 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 114 C 8.25 4.43 0.00 3.11 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 0.00 115 E 8.04 4.25 0.00 1.99 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 2.28 2.27 0.00 116 N 8.24 4.87 0.00 2.80 2.73 0.00 0.00 6.73 7.57 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 0.00 117 K 8.05 4.58 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 118 S 8.61 4.21 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.72 4.07 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.07 7.81 120 A 7.90 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.61 3.54 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 0.94 0.00 0.00 0.92 0.00 0.00 122 E 8.15 3.95 0.00 2.25 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 2.31 2.36 0.00 123 Q 8.05 3.99 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 124 I 7.84 3.74 1.99 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 1.55 0.71 0.89 0.00 0.00 125 K 8.23 4.00 0.00 1.97 1.86 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.58 7.81 126 N 8.03 4.48 0.00 2.96 2.88 0.00 0.00 6.80 9.20 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 0.00 127 A 8.54 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.19 4.01 0.00 3.02 3.28 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 0.00 129 N 8.32 4.48 0.00 2.96 2.89 0.00 0.00 7.06 6.40 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 0.00 130 K 7.65 3.96 0.00 1.94 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 131 L 8.12 4.05 0.00 1.56 1.72 0.93 1.21 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 0.00 132 Q 8.41 2.86 0.00 2.16 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 133 E 8.98 3.95 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 2.48 0.00 134 K 8.17 4.14 0.00 1.84 1.89 0.00 1.58 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.59 7.81 135 G 8.53 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.43 3.93 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.97 0.82 0.00 0.00 137 Y 8.10 3.59 0.00 3.16 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 0.00 138 K 8.71 4.21 0.00 2.10 1.92 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.36 7.81 139 A 7.97 4.06 1.46 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 0.00 0.00 140 M 8.06 4.20 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 141 S 8.30 4.29 0.00 4.11 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 0.00 142 E 8.41 4.58 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 143 F 8.26 4.19 0.00 3.31 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 0.00 144 D 8.19 4.47 0.00 2.92 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 0.00 145 I 7.71 3.47 1.85 0.00 0.00 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 1.27 0.60 0.31 0.00 0.00 146 F 7.91 4.17 0.00 2.73 2.69 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 0.00 147 I 7.40 3.34 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.86 0.00 0.00 148 N 8.05 4.38 0.00 2.76 2.85 0.00 0.00 6.99 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 0.00 149 Y 8.23 4.32 0.00 3.06 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 0.00 150 I 7.76 3.50 1.69 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.10 0.74 0.00 0.00 151 E 8.17 3.89 0.00 2.14 2.08 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 2.31 2.33 0.00 152 A 8.25 4.03 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.14 3.92 0.00 2.84 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 0.00 154 M 8.36 4.15 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.72 0.00 155 T 7.93 4.11 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 1.19 0.00 0.00 156 I 7.47 4.38 1.87 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 1.38 0.66 0.91 0.00 0.00 157 K 7.64 4.11 0.00 1.70 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.16 0.89 7.81 * Residues marked with a * may have inaccurate shift predictions.