NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.5026 8.2649 122.4449 51.6062 20.2281 176.5267 18 Y 3.6234 8.7519 119.7560 57.1522 39.1612 173.6151 19 S 4.8852 8.9268 118.4402 56.6990 65.2803 172.4792 20 F 5.3971 9.2498 126.5778 55.5358 42.5483 174.4222 21 K 5.2315 8.8542 122.8652 54.7562 34.8769 174.7625 22 V 5.5958 9.1386 126.6281 60.1720 35.2847 174.3665 23 V 5.0792 8.3204 118.8946 59.6003 35.1204 174.2908 24 L 4.9760 8.9239 125.0762 53.6685 42.7503 176.1879 25 L 4.6029 10.0394 123.4937 51.9996 45.8135 176.3445 26 G 4.5743 8.4214 110.8544 44.4937 0.0000 171.6812 27 E 4.2957 8.1301 119.8191 55.8356 29.9954 178.6239 28 G 3.7378 8.6074 108.3594 47.8497 0.0000 173.9089 29 C 4.7400 7.8733 117.9863 59.0629 32.2721 174.7739 30 V 3.8250 7.5755 113.4285 62.9160 31.4946 176.8790 31 G 4.3444 8.3648 109.1651 45.8604 0.0000 176.3015 32 K 3.9437 8.5971 119.7838 59.6776 32.1794 178.7551 33 T 4.1246 7.8056 116.5890 66.2984 68.4384 176.7733 34 S 4.2504 8.1216 116.5712 61.4941 62.9333 176.5024 35 L 4.0848 8.2289 121.8493 57.9653 41.4105 179.8571 36 V 3.7335 7.7232 118.2129 65.7995 31.4435 177.8151 37 L 3.9494 8.4174 120.6377 58.0327 41.9703 178.9045 38 R 4.1922 8.1829 119.9499 59.2881 29.9026 177.8569 39 Y 4.2405 8.0436 117.7648 60.4850 38.7707 176.9927 40 C 4.2496 8.1021 116.0236 60.2814 29.2792 174.2453 41 E 4.4574 8.2761 116.5623 54.8978 30.7118 174.9932 42 N 4.2772 7.9581 116.4586 54.8200 37.8295 173.5438 43 K 4.8225 7.7253 113.6886 54.5289 36.0126 175.4378 44 F 4.9532 8.4537 121.7102 56.7718 42.4371 173.3615 45 N 4.7434 7.3767 123.8304 51.2102 41.1771 174.5975 46 D 4.3253 8.4462 123.0337 56.5361 41.3672 177.1675 47 K 4.0751 7.5849 117.8862 56.4127 33.4332 175.9352 48 H 4.4186 8.6874 122.1572 55.6134 29.6899 174.7450 49 I 4.1434 7.9706 128.9848 59.2767 37.3269 175.3507 50 T 3.9041 7.9758 120.4998 61.9745 67.8321 173.9081 51 T 4.1212 8.5647 125.6716 63.6505 68.7660 174.9808 52 L 4.5238 8.4066 125.8108 55.1808 42.6478 176.2015 53 Q 4.7561 7.5267 117.9340 54.4283 31.9199 173.6372 54 A 4.7175 8.8419 128.0779 52.4242 19.2607 176.8272 55 S 4.8011 9.2565 115.5171 56.5693 66.9189 172.9435 56 F 4.9777 7.8188 115.4012 55.0283 40.6869 174.2973 57 L 4.4553 8.3104 118.1361 53.4857 46.4091 175.3987 58 T 5.0236 8.4652 119.0974 62.1119 69.9262 174.0990 59 K 4.3505 9.0814 129.1411 55.3979 34.0099 175.2615 60 K 5.1759 8.5305 125.8049 54.7975 34.2063 175.4989 61 L 4.9680 8.9364 123.5337 52.9248 46.4923 174.7310 62 N 5.4720 8.7652 119.0083 52.0451 41.4640 174.1163 63 I 4.3623 8.8802 126.8604 60.4350 39.8303 175.4057 64 G 3.7069 9.5809 116.8656 46.6953 0.0000 173.6389 65 G 3.9459 8.7151 108.5463 45.5340 0.0000 174.5281 66 K 4.7280 7.5896 121.3635 52.4881 34.6005 180.8852 67 R 4.8004 8.3381 121.3545 55.4411 31.9696 175.5974 68 V 4.7892 9.0786 122.5384 61.3018 34.8580 173.7883 69 N 5.2004 9.3466 126.3095 51.8679 40.3642 173.9047 70 L 5.2142 9.1655 127.6173 53.1685 44.1674 175.0793 71 A 4.7691 9.3825 130.5188 51.5842 19.9098 175.9891 72 I 4.8079 9.0910 124.9653 59.9852 39.3921 175.0065 73 W 5.1151 9.4947 128.8127 55.3183 30.4357 175.2646 74 D 5.2768 9.2416 125.6342 53.2447 42.6931 175.1353 75 T 4.8330 8.4184 113.0446 60.0266 71.5399 173.5046 76 A 4.7053 8.7781 126.4292 54.2502 19.4039 179.6247 *90 R 4.3132 7.7627 111.7437 55.7832 31.6057 179.0280 91 D 4.6038 7.8810 114.0533 56.3568 41.8832 176.7207 92 S 4.5189 7.8194 114.9039 58.6094 63.6361 173.5783 93 N 4.7391 9.3491 121.5804 54.3395 39.9378 174.9038 94 G 4.5368 7.7115 104.2474 45.0948 0.0000 171.8600 95 A 5.1328 8.9456 121.8496 50.0908 23.1987 175.3665 96 I 4.3455 8.8545 123.2395 59.7179 39.3529 175.2321 97 L 4.8956 8.9795 129.7747 53.3737 42.7613 175.7832 98 V 4.7209 9.1008 125.7649 61.4975 33.4271 174.3788 99 Y 5.0539 9.0296 125.1059 55.3002 42.3150 173.4680 100 D 5.3138 9.0344 119.7545 52.3895 42.2766 177.1792 101 I 3.9370 8.6528 121.1996 63.8815 37.6433 177.4390 102 T 4.5736 8.2036 108.8719 61.1953 68.6001 174.6878 103 D 4.6198 8.5583 122.1044 51.8791 43.5746 175.0072 104 E 4.0204 8.7214 128.5638 59.3152 29.7589 177.7982 105 D 4.3487 8.2294 117.9015 57.3563 41.0886 178.1000 106 S 4.1779 8.3187 113.7903 61.5241 63.1389 176.1025 107 F 4.0705 7.9977 123.1991 61.1455 39.1781 177.2683 108 Q 3.5094 8.0383 117.6049 58.5448 27.9807 178.7184 109 K 4.0278 8.2914 119.4922 58.7678 32.1038 179.3759 110 V 3.5773 7.4759 119.0500 65.7361 31.3599 178.0567 111 K 4.2733 7.6886 121.8584 59.3297 31.6815 179.4109 112 N 4.2429 7.5715 119.4054 57.4702 37.3539 179.7061 113 W 4.5442 8.0147 121.0032 59.4135 29.1356 178.5354 114 V 3.6797 7.8907 117.8511 65.9541 30.9827 177.7966 115 K 3.9003 8.1606 119.0641 59.7860 31.9647 178.3860 116 E 3.9922 8.4629 118.9302 59.6028 29.3201 179.5543 117 L 4.1397 8.5054 119.2632 57.7856 41.6433 179.7385 118 R 4.0043 8.6070 121.0024 59.6450 29.7386 179.8474 119 K 3.9872 7.9120 122.8541 59.8938 31.7627 180.9858 120 M 4.4313 7.7378 118.2815 57.8577 32.4326 176.8774 121 L 4.6642 8.0795 115.7265 52.8834 44.4254 177.8491 122 G 4.0340 8.0595 107.6927 46.3950 0.0000 174.1860 123 N 4.5792 8.7233 117.9853 54.2352 39.0421 175.7053 124 E 4.0059 7.7026 118.7313 58.8109 29.9377 176.9135 125 I 4.1405 7.5041 118.9144 60.6449 39.0785 175.2920 126 C 4.3693 8.8609 127.7529 59.5650 29.1274 172.4722 127 L 4.9552 8.5039 124.5223 53.5906 43.5074 175.3860 128 C 5.4659 9.0713 121.2914 58.0603 31.4539 172.8131 129 I 5.0475 8.9682 124.1754 59.6120 39.7156 174.7210 130 V 4.5652 9.0807 127.3651 61.0583 34.4082 174.8913 131 G 3.2398 8.8293 117.4484 44.9482 0.0000 172.0170 132 N 5.0437 8.5855 126.4153 52.5653 41.1096 174.7073 133 K 4.1658 8.8849 119.1947 58.3069 28.7212 178.4530 134 I 4.0004 7.5855 113.0570 62.6313 37.4914 176.7428 135 D 4.4408 8.0696 121.2503 55.8749 39.6819 176.5623 136 L 4.3292 8.0629 121.0026 54.6327 42.0024 178.0795 137 E 4.0943 8.1277 120.2964 58.4144 30.0557 177.5460 138 K 4.1304 7.9899 117.1698 58.9187 32.1335 177.3046 139 E 4.4698 8.0175 117.2469 55.7844 29.5093 175.6351 140 R 4.2618 7.8608 119.7293 57.2421 30.3425 175.8355 141 H 4.8041 9.1220 120.1969 55.0449 30.8196 173.5633 142 V 4.2412 7.5958 119.5365 60.8861 32.8460 175.6736 143 S 4.1556 8.2884 121.5591 58.2851 63.4945 174.9873 144 I 3.7141 8.3472 130.0175 64.3703 36.8712 178.2845 145 Q 3.8921 7.8770 120.0836 59.1111 29.0319 177.6853 146 E 3.8966 8.0421 119.9761 59.0469 29.6327 178.6007 147 A 3.8980 7.6826 120.7876 55.3002 18.4762 179.5609 148 E 3.8502 8.1894 117.1845 59.3429 29.5054 179.3189 149 S 4.0487 8.2866 113.4114 61.6406 62.3745 175.4039 150 Y 4.2561 9.0055 123.3973 59.9804 38.5420 177.9662 151 A 3.9520 8.4111 123.9307 55.9990 18.4384 180.0010 152 E 3.8951 8.1478 116.7653 61.3398 29.9027 181.2641 153 S 4.2933 8.0795 115.2793 60.6621 62.4453 176.1698 154 V 4.2328 6.8430 113.4508 60.3058 31.7420 176.2627 155 G 3.7611 7.9378 105.7799 46.0857 0.0000 173.9034 156 A 4.7409 7.7864 123.1634 51.0924 20.8685 178.0689 157 K 4.4882 8.5021 122.4650 53.8764 34.2330 176.0918 158 H 5.3234 8.4111 123.4003 54.8735 31.6316 173.6535 159 Y 4.8359 8.4062 120.0471 56.8323 42.9322 173.4676 160 H 5.5398 8.8650 118.6824 54.4288 31.6386 173.5275 161 T 5.0412 8.8139 111.8003 60.2133 73.0947 172.8448 162 S 4.6580 8.8759 116.4591 56.5374 64.5547 174.5068 163 A 3.9982 8.6893 130.6906 55.1655 18.6370 179.3062 164 K 2.4800 7.6575 115.6541 59.1335 32.0835 177.7278 165 Q 4.0041 7.9691 114.6497 55.4718 29.5938 175.0055 166 N 4.1528 7.3567 115.4816 54.6816 37.5379 173.7377 167 K 4.4837 8.3520 118.5852 55.8651 35.5758 178.2056 168 G 4.2231 8.9449 110.6151 47.9194 0.0000 175.1987 169 I 3.7007 7.6633 120.8026 64.2679 37.5137 177.4321 170 E 4.3089 8.4363 118.8891 60.0330 28.9924 179.4554 171 E 4.0460 8.1625 117.7307 59.0506 29.6367 178.8261 172 L 3.3672 7.7828 120.4040 58.2037 42.0645 179.2260 173 F 3.9358 7.8910 117.5247 59.9546 38.6950 177.6878 174 L 3.9642 8.1023 120.0969 58.2927 41.9351 178.3685 175 D 4.3365 8.2088 118.0326 57.3675 41.1092 178.0090 176 L 3.8732 7.8597 120.6378 58.2597 42.0625 178.7746 177 C 3.9515 8.0612 116.5432 62.7261 28.1109 175.7964 178 K 3.7930 8.1120 120.1916 60.0613 31.5200 179.4502 179 R 3.8851 8.0364 116.6737 59.4544 29.9952 178.7214 180 M 3.9514 7.4607 117.5688 57.4838 31.9062 178.6717 181 I 3.8218 7.3258 122.0468 64.4514 38.6987 178.1726 182 E 4.3925 7.9817 117.1906 55.8397 27.7580 179.7120 183 T 4.2745 7.3178 116.9942 61.4352 69.3553 175.5219 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 17 A 8.26 4.50 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 18 Y 8.75 3.62 0.00 2.70 1.65 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 19 S 8.93 4.89 0.00 3.72 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.25 5.40 0.00 3.06 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 21 K 8.85 5.23 0.00 1.92 1.71 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.65 7.81 22 V 9.14 5.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.99 0.00 0.00 23 V 8.32 5.08 2.01 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 0.64 0.00 0.00 0.79 0.00 0.00 24 L 8.92 4.98 0.00 1.64 1.60 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 L 10.04 4.60 0.00 0.98 0.33 -0.11 -0.20 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 26 G 8.42 4.57 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 0.00 0.00 0.00 27 E 8.13 4.30 0.00 2.10 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 2.49 2.32 0.00 28 G 8.61 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 29 C 7.87 4.74 0.00 2.87 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 30 V 7.58 3.82 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 0.86 0.00 0.00 1.01 0.00 0.00 31 G 8.36 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 32 K 8.60 3.94 0.00 1.85 1.99 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.57 7.81 33 T 7.81 4.12 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 1.22 0.00 0.00 34 S 8.12 4.25 0.00 4.14 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.23 4.08 0.00 1.96 1.83 0.85 0.77 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 36 V 7.72 3.73 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 1.00 0.00 0.00 1.05 0.00 0.00 37 L 8.42 3.95 0.00 1.85 1.70 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.18 4.19 0.00 2.15 2.25 0.00 3.29 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 39 Y 8.04 4.24 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.10 4.25 0.00 2.99 2.85 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 41 E 8.28 4.46 0.00 2.00 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 2.17 2.14 0.00 42 N 7.96 4.28 0.00 2.79 2.82 0.00 0.00 6.91 6.69 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 43 K 7.73 4.82 0.00 1.83 1.66 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.59 7.81 44 F 8.45 4.95 0.00 2.92 2.91 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 45 N 7.38 4.74 0.00 2.43 2.48 0.00 0.00 7.05 8.06 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 46 D 8.45 4.33 0.00 2.63 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 47 K 7.58 4.08 0.00 1.83 1.76 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.36 7.81 48 H 8.69 4.42 0.00 3.07 3.29 0.00 5.88 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.97 4.14 1.83 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 1.25 0.85 0.87 0.00 0.00 50 T 7.98 3.90 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 51 T 8.56 4.12 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 52 L 8.41 4.52 0.00 1.64 1.73 0.93 0.91 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 53 Q 7.53 4.76 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 54 A 8.84 4.72 1.54 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 0.00 0.00 55 S 9.26 4.80 0.00 3.69 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 56 F 7.82 4.98 0.00 1.83 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 0.00 0.00 0.00 0.00 57 L 8.31 4.46 0.00 1.47 1.39 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.47 5.02 4.31 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 1.25 0.00 0.00 59 K 9.08 4.35 0.00 1.84 1.71 0.00 1.33 0.00 0.00 1.28 0.00 0.00 2.64 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.50 1.47 7.81 60 K 8.53 5.18 0.00 1.64 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.43 7.81 61 L 8.94 4.97 0.00 1.63 1.56 1.06 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.77 5.47 0.00 2.69 2.69 0.00 0.00 6.78 7.94 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 63 I 8.88 4.36 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.93 0.00 0.00 64 G 9.58 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 0.00 0.00 0.00 65 G 8.72 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 0.00 0.00 0.00 66 K 7.59 4.73 0.00 1.65 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.24 7.81 67 R 8.34 4.80 0.00 1.81 1.88 0.00 3.09 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 68 V 9.08 4.79 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 1.16 0.00 0.00 1.08 0.00 0.00 69 N 9.35 5.20 0.00 2.60 2.74 0.00 0.00 6.02 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 70 L 9.17 5.21 0.00 1.87 1.80 1.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 A 9.38 4.77 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 72 I 9.09 4.81 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 1.07 0.00 0.00 73 W 9.49 5.12 0.00 3.41 3.25 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 74 D 9.24 5.28 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.83 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 1.30 0.00 0.00 76 A 8.78 4.71 1.38 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 0.00 0.00 0.00 *90 R 7.76 4.31 0.00 1.87 1.90 0.00 3.26 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 91 D 7.88 4.60 0.00 2.49 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 92 S 7.82 4.52 0.00 3.87 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 93 N 9.35 4.74 0.00 2.61 2.80 0.00 0.00 6.48 7.55 0.00 0.00 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 G 7.71 4.54 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 0.00 0.00 0.00 95 A 8.95 5.13 1.11 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 0.00 0.00 96 I 8.85 4.35 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.51 0.67 0.00 0.00 97 L 8.98 4.90 0.00 1.67 1.72 1.05 0.46 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 98 V 9.10 4.72 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 0.94 0.00 0.00 0.97 0.00 0.00 99 Y 9.03 5.05 0.00 3.17 3.16 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 0.00 100 D 9.03 5.31 0.00 2.85 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 0.00 101 I 8.65 3.94 1.95 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 1.57 0.96 0.98 0.00 0.00 102 T 8.20 4.57 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 103 D 8.56 4.62 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 0.00 104 E 8.72 4.02 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 2.40 2.47 0.00 105 D 8.23 4.35 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.32 4.18 0.00 4.22 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.00 4.07 0.00 2.56 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 0.00 108 Q 8.04 3.51 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 109 K 8.29 4.03 0.00 1.94 1.88 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.80 7.81 110 V 7.48 3.58 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 1.15 0.00 0.00 1.11 0.00 0.00 111 K 7.69 4.27 0.00 1.71 1.71 0.00 1.35 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.45 0.79 7.81 112 N 7.57 4.24 0.00 2.55 2.84 0.00 0.00 7.02 7.84 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 0.00 113 W 8.01 4.54 0.00 3.57 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 0.00 114 V 7.89 3.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.15 0.00 0.00 115 K 8.16 3.90 0.00 2.01 1.95 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 116 E 8.46 3.99 0.00 2.30 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 2.22 2.50 0.00 117 L 8.51 4.14 0.00 1.83 1.76 1.00 0.96 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 0.00 118 R 8.61 4.00 0.00 1.87 1.99 0.00 3.32 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 119 K 7.91 3.99 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 120 M 7.74 4.43 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 121 L 8.08 4.66 0.00 1.80 1.61 0.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.72 4.58 0.00 2.72 2.86 0.00 0.00 6.69 7.66 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 0.00 124 E 7.70 4.01 0.00 1.96 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 2.33 2.30 0.00 125 I 7.50 4.14 1.87 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 1.33 1.04 0.92 0.00 0.00 126 C 8.86 4.37 0.00 2.86 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 0.00 127 L 8.50 4.96 0.00 1.60 1.60 0.94 0.91 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 0.00 128 C 9.07 5.47 0.00 2.72 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 0.00 129 I 8.97 5.05 2.12 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 1.40 0.00 0.00 130 V 9.08 4.57 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 0.65 0.00 0.00 0.81 0.00 0.00 131 G 8.83 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 0.00 0.00 0.00 132 N 8.59 5.04 0.00 2.74 2.81 0.00 0.00 7.21 5.82 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 0.00 133 K 8.88 4.17 0.00 2.02 2.05 0.00 2.20 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 134 I 7.59 4.00 1.81 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 1.42 0.49 0.95 0.00 0.00 135 D 8.07 4.44 0.00 2.80 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 0.00 136 L 8.06 4.33 0.00 1.77 1.72 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.13 4.09 0.00 2.08 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 2.26 2.37 0.00 138 K 7.99 4.13 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 139 E 8.02 4.47 0.00 2.17 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 2.28 2.24 0.00 140 R 7.86 4.26 0.00 1.76 1.81 0.00 3.16 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 141 H 9.12 4.80 0.00 3.18 3.28 0.00 5.69 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 0.00 142 V 7.60 4.24 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 0.10 0.00 0.00 1.02 0.00 0.00 143 S 8.29 4.16 0.00 3.86 3.60 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 0.00 144 I 8.35 3.71 1.86 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 1.62 0.44 0.94 0.00 0.00 145 Q 7.88 3.89 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 146 E 8.04 3.90 0.00 2.06 1.87 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 2.37 2.38 0.00 147 A 7.68 3.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.19 3.85 0.00 2.09 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 2.06 0.00 149 S 8.29 4.05 0.00 4.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.01 4.26 0.00 3.22 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 0.00 151 A 8.41 3.95 1.47 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 0.00 0.00 0.00 152 E 8.15 3.90 0.00 2.00 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 2.25 2.20 0.00 153 S 8.08 4.29 0.00 4.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 6.84 4.23 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 0.48 0.00 0.00 0.56 0.00 0.00 155 G 7.94 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 0.00 156 A 7.79 4.74 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 0.00 157 K 8.50 4.49 0.00 1.47 1.67 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.23 7.81 158 H 8.41 5.32 0.00 3.12 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.41 4.84 0.00 2.76 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 0.00 160 H 8.86 5.54 0.00 3.08 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.81 5.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 162 S 8.88 4.66 0.00 3.84 3.64 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 0.00 163 A 8.69 4.00 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 0.00 164 K 7.66 2.48 0.00 0.94 1.47 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.14 0.88 7.81 165 Q 7.97 4.00 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.47 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 166 N 7.36 4.15 0.00 2.81 2.81 0.00 0.00 6.92 6.35 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 0.00 167 K 8.35 4.48 0.00 1.79 1.64 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.31 7.81 168 G 8.94 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 0.00 0.00 0.00 169 I 7.66 3.70 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.93 1.08 0.00 0.00 170 E 8.44 4.31 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 171 E 8.16 4.05 0.00 2.25 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 2.44 2.47 0.00 172 L 7.78 3.37 0.00 1.34 1.48 -0.32 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.89 3.94 0.00 2.70 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 0.00 174 L 8.10 3.96 0.00 1.91 1.79 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.21 4.34 0.00 3.05 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 0.00 176 L 7.86 3.87 0.00 1.67 1.70 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 177 C 8.06 3.95 0.00 3.24 3.05 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 0.00 0.00 0.00 178 K 8.11 3.79 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.52 7.81 179 R 8.04 3.89 0.00 1.84 1.94 0.00 3.33 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 180 M 7.46 3.95 0.00 0.76 1.35 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 2.53 2.41 0.00 181 I 7.33 3.82 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.40 0.63 0.00 0.00 182 E 7.98 4.39 0.00 1.99 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 0.00 2.26 2.13 0.00 183 T 7.32 4.27 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.