NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3252 8.3049 120.3609 55.1799 34.0669 175.3158 2 W 3.6600 8.4128 125.3690 56.7163 28.4524 173.9557 3 A 4.4913 8.6561 127.0314 50.1825 21.8325 176.0690 4 F 5.1164 8.2751 117.0471 55.1510 40.0673 173.3940 5 P 4.2089 0.0000 0.0000 62.9387 31.6174 177.5119 6 E 4.6196 8.9662 122.7322 58.9329 30.5485 177.1217 7 R 5.5146 7.0506 116.0562 53.1418 33.8708 175.1741 8 F 4.8706 8.3158 120.3244 55.5676 42.4509 173.5944 9 E 4.4892 9.1197 125.7810 55.5685 29.9900 175.8691 10 G 4.4932 8.5421 114.2512 42.7207 0.0000 172.3912 11 R 4.4076 8.9722 117.9116 57.1403 30.5842 177.1551 12 H 4.9112 8.4882 112.9792 56.4261 31.5624 173.4077 13 V 5.5594 8.0667 110.1570 59.5767 36.8764 174.4943 14 R 4.8985 8.4725 119.7191 54.6502 33.7969 174.4276 15 L 5.0506 8.7248 124.6140 52.8276 43.2894 175.7691 16 E 5.5959 8.6462 120.7117 52.2624 33.8693 173.0427 17 P 4.5395 0.0000 0.0000 63.1903 31.9357 175.8706 18 L 4.2983 8.6788 126.9866 55.4517 42.6378 175.5768 19 A 4.8481 8.5349 129.1808 50.6540 22.3811 175.4477 20 L 4.2372 8.4419 114.5275 56.7577 41.8425 178.8024 21 A 4.2039 7.9155 120.6037 53.9566 18.5485 177.9851 22 H 4.8515 7.9396 112.2837 55.2479 29.4966 176.1113 23 L 4.3297 7.8002 123.6468 58.0791 41.8986 176.7923 24 P 4.2408 0.0000 0.0000 65.6720 31.0834 178.2591 25 A 3.8137 7.6847 119.2639 55.3100 18.1717 179.7631 26 F 4.5901 7.9400 113.7271 60.0714 39.0314 176.8743 27 L 4.2508 7.4156 119.6806 57.9543 42.1415 178.1616 28 R 3.9231 7.6389 117.5313 59.0166 30.3031 177.7933 29 H 4.4585 7.4000 116.9268 56.2831 28.8848 177.2355 30 Y 4.4656 7.8059 121.5005 57.0251 37.0115 171.7927 31 D 4.7407 7.9963 123.1157 50.8947 43.4120 174.8218 32 P 4.0138 0.0000 0.0000 65.6238 31.5128 177.2269 33 E 3.9270 8.6043 118.4113 59.2328 29.5456 178.1965 34 V 4.1554 7.7958 114.6227 64.1106 31.1333 176.3587 *36 R 4.1893 7.9961 118.5343 56.0639 31.1365 177.2190 37 F 5.0606 7.6457 113.5970 57.6906 39.9641 175.4276 38 L 4.8952 7.7011 120.1835 52.6445 43.9782 178.0855 39 S 4.4152 8.8544 117.5463 60.2820 63.2402 174.4440 40 R 4.6928 7.2991 118.0121 54.5661 33.4813 174.2644 41 A 4.2822 8.1895 121.1938 50.4724 21.6976 174.2699 42 P 4.3923 0.0000 0.0000 63.1598 31.8624 176.6681 43 V 4.1042 8.0949 110.6122 62.6458 32.3393 176.4132 44 A 4.6615 7.4298 120.0510 50.2053 21.6383 175.1603 45 P 3.4571 0.0000 0.0000 64.7445 31.5734 177.4777 46 T 3.9432 7.1894 107.6872 61.5677 69.3203 174.8154 47 E 3.9094 8.6563 123.0266 59.2319 29.5752 178.7510 48 E 3.9661 8.1870 117.1674 59.2903 29.4973 179.0400 49 A 3.9654 7.6517 120.5141 55.0748 18.5332 179.6601 50 L 3.9910 7.5870 117.2568 57.8228 41.4657 179.7943 51 R 3.9266 8.1041 118.7118 59.1943 30.0794 178.3276 52 A 4.0568 7.7500 120.7864 54.7929 18.1888 179.2157 53 H 4.1101 7.8674 116.4368 59.3166 30.2485 177.2029 54 L 3.9199 7.7210 120.6666 58.0171 41.1670 179.5440 55 E 4.1122 8.0074 118.4439 59.1186 29.1473 179.7316 56 G 3.5773 7.8619 105.9971 47.7444 0.0000 175.8387 57 L 4.0167 7.6997 120.7254 57.1986 41.8399 178.9063 58 L 4.1261 7.3748 116.6892 56.1208 41.8165 178.0203 59 G 3.6922 7.4516 107.0159 46.8653 0.0000 173.8576 60 E 3.9094 7.6467 119.4931 55.6777 29.3404 174.7424 61 P 4.3488 0.0000 0.0000 64.3011 31.7292 176.9772 62 G 4.0062 8.9630 111.2936 45.1605 0.0000 173.0568 63 R 4.8939 7.4466 120.1816 54.6265 31.3526 175.7024 64 V 4.0256 7.8777 125.6469 61.0629 33.8112 174.1184 65 N 4.9596 8.1578 124.6699 51.8885 40.7112 173.9018 66 W 5.6165 8.5933 119.3917 55.4679 34.6278 173.8468 67 A 4.8212 8.9319 122.6038 50.0814 21.1496 175.7979 68 I 3.9646 8.2023 123.1964 61.8758 38.4284 175.6622 69 L 4.7537 8.5552 128.8649 53.3708 42.9215 175.2658 70 F 5.1750 8.7861 127.6394 56.9543 39.1581 175.5951 71 G 3.8314 8.8985 115.8500 43.8508 0.0000 172.1878 72 K 4.5863 8.7879 121.3894 55.9995 33.3390 175.4989 73 E 4.8472 7.8417 119.5108 55.4851 31.7459 175.1946 74 V 4.3045 8.3211 121.9570 61.7697 33.6881 176.0757 75 A 2.5800 8.7053 131.9541 53.5596 19.9027 178.5913 76 G 3.6532 7.0469 106.3151 45.5655 0.0000 175.7868 77 R 4.7210 7.0321 125.7280 56.1661 33.2863 172.0333 78 I 4.5403 7.9529 115.2495 60.6236 42.0907 173.3295 79 S 5.3235 8.7270 122.4526 56.0989 67.6372 172.5684 80 V 4.7725 8.0528 119.6190 61.4005 33.4448 174.0789 81 I 4.5860 8.7183 129.0652 59.6733 39.8641 175.7083 82 A 3.8378 8.5109 126.7062 52.5541 15.6693 176.8776 83 P 4.2903 0.0000 0.0000 64.1123 31.0560 176.7437 84 E 4.2703 8.0197 124.9984 53.2980 28.8726 175.4669 85 P 3.2206 0.0000 0.0000 64.0966 31.9252 178.7223 86 E 3.8855 7.9782 117.4833 59.6061 29.2791 177.6203 87 H 4.6675 7.9786 111.0116 54.6625 29.9083 174.6422 88 A 4.0622 7.5817 123.2404 52.1529 15.7402 175.7372 89 K 5.6751 8.0495 121.4421 56.2985 37.3028 176.1058 90 L 4.5364 7.8466 118.3287 55.3496 43.1681 172.6998 91 E 5.0924 8.4187 119.7794 53.4006 33.3182 174.4682 92 L 5.2881 8.6985 123.1054 53.0690 45.0632 176.2769 93 G 4.1794 9.2503 112.9087 45.1058 0.0000 172.2133 94 T 5.3021 8.3817 116.8465 59.9256 71.6180 173.6691 95 M 4.9926 8.2315 118.1430 54.5453 34.8388 173.4411 96 L 4.9956 8.5401 119.4045 52.9596 46.4832 176.1724 97 F 4.4305 8.2814 119.2425 56.8404 39.9341 176.8764 98 K 2.0000 8.1233 123.8005 58.7339 31.7660 177.9173 99 P 4.3690 0.0000 0.0000 62.6825 30.5266 176.9720 100 F 4.9572 8.0692 117.2171 56.6870 41.5424 175.0639 101 W 4.6381 7.3003 120.8891 57.9904 28.9564 175.8134 102 G 4.1144 9.1594 111.5228 45.6254 0.0000 174.0728 103 S 4.4055 8.0334 115.1590 56.9133 64.3595 173.1287 104 P 4.2805 0.0000 0.0000 63.6186 30.8724 178.1574 105 A 3.7935 7.3632 122.8389 55.5703 18.1225 180.0084 106 N 4.2251 7.8628 115.0860 56.6964 39.0810 177.0484 107 K 3.8285 7.9215 119.3700 59.2707 32.4311 178.3300 108 E 3.9926 8.0856 118.4177 57.9979 29.9248 178.1285 109 A 3.9870 7.8154 120.7347 55.3817 18.3140 179.7762 110 K 3.8233 7.7986 116.8920 59.5884 32.0109 178.7038 111 Y 4.3090 7.6472 119.4411 61.1652 38.4159 178.6624 112 L 3.6087 7.6336 119.5300 57.5748 41.6403 179.5300 113 L 3.5602 6.9603 118.5442 57.5809 41.6390 179.3774 114 L 3.4957 8.5085 119.8300 57.6061 41.0351 179.5965 115 R 4.2133 7.5380 118.3902 59.1958 30.0437 177.4915 116 H 4.3514 7.6938 117.1880 57.5317 29.7849 176.9463 117 A 3.6077 7.6799 123.1454 54.8296 18.6353 179.5100 118 F 4.2696 7.0942 116.0489 60.6168 38.8176 178.0298 119 E 4.0821 7.6667 116.4182 60.2241 29.5809 178.8523 120 V 3.6611 7.7044 118.7745 65.0468 31.4174 177.3733 121 L 3.3538 8.0581 123.7410 55.1718 42.1744 177.3716 122 R 4.4627 7.5084 114.4985 55.9354 28.0496 176.0536 123 A 4.3809 8.4590 120.2596 52.3654 19.1823 177.4656 124 E 4.8592 9.1011 118.8410 56.1170 31.8121 175.8944 125 R 4.7616 7.8888 118.5599 55.5147 34.2199 174.1248 126 V 5.3715 8.4554 124.3996 61.0951 33.1884 173.9953 127 Q 5.0448 8.0646 125.4180 54.7513 31.4634 175.0522 128 F 5.2085 8.3210 117.5536 56.2227 42.9677 173.7229 129 K 4.9884 8.9763 124.1385 54.9931 33.2307 176.3930 130 V 4.5905 8.1614 123.4917 60.4822 35.3744 174.1866 131 D 4.6241 8.7605 125.8857 54.6221 41.4977 176.7047 132 L 3.8904 8.4528 128.0497 58.5028 42.0913 178.6839 133 R 3.7900 9.1504 118.2801 58.7440 28.9916 176.5184 134 N 3.1764 6.9789 116.8772 53.5921 38.9177 174.8754 135 E 4.2408 8.1771 128.7887 58.6119 29.9279 178.3700 136 R 3.7091 7.7232 118.4678 59.6691 30.0371 178.2578 137 S 3.9976 8.8425 114.7329 61.7292 62.9223 176.8656 138 Q 4.0043 7.3116 121.6786 58.6627 28.3415 179.1962 139 R 3.8886 7.9212 117.4043 59.1101 30.3190 178.9387 140 A 4.0133 7.8827 120.4492 55.2625 18.3919 179.6395 141 L 3.6860 8.0062 117.8040 57.9568 41.1875 179.6559 142 E 3.9348 8.0864 117.8974 58.6797 29.1878 178.7782 143 A 4.0657 7.7199 119.8824 54.1931 18.5416 178.8920 144 L 4.2263 7.2146 116.7900 55.3261 42.0038 177.6149 145 G 4.0612 7.4302 104.4665 44.9052 0.0000 174.0139 146 A 4.2672 7.8151 123.0740 52.1272 19.0240 177.2130 147 V 3.9646 8.2929 123.1226 62.4510 32.9260 175.6682 148 R 4.4509 8.6920 129.5135 54.9549 27.9783 175.1728 149 E 3.9287 8.5650 121.3512 58.1355 29.7362 178.3857 150 G 4.0372 7.0218 104.3175 46.0092 0.0000 170.2685 151 V 4.7953 8.2116 119.7105 61.0572 34.2218 176.7868 152 L 4.2756 8.9357 128.9635 53.8543 41.7054 176.1400 153 R 4.1488 8.4615 123.1603 56.5797 30.5715 177.2833 154 K 3.7237 8.8911 124.9083 57.4825 30.3843 176.0354 155 N 4.4426 8.0536 118.6027 56.1174 39.6181 174.7831 156 R 4.7627 7.5203 112.4367 54.3584 32.6155 173.5292 157 R 4.6556 8.5226 119.6200 55.5950 31.2352 176.3229 158 L 4.4459 8.1683 124.5070 53.3017 42.6902 176.0663 159 P 4.3576 0.0000 0.0000 65.8143 31.2561 177.6053 160 D 4.4242 7.8880 115.3704 53.6908 40.1340 176.2322 161 G 4.0607 8.7323 112.2700 46.1696 0.0000 174.6344 162 A 3.6761 8.1371 123.9004 51.8183 18.5995 177.4953 163 F 5.0150 8.1906 121.5653 57.7454 39.8384 174.2987 164 R 4.6203 8.9750 121.0769 55.1228 33.4674 174.1256 165 D 5.2845 8.5761 126.2185 51.9720 40.7263 173.5047 166 D 4.7089 8.2282 121.8526 54.3059 42.1254 175.4840 167 V 4.0637 9.2486 126.0987 61.5355 32.2457 175.0234 168 V 3.8182 8.3119 129.4658 63.2413 32.4172 174.5937 169 Y 5.4030 8.4262 124.2657 55.4908 42.1932 174.1724 170 S 5.2839 8.2750 111.7503 58.9929 64.5209 175.8896 171 V 4.7218 7.8638 120.2020 61.3461 33.9827 174.7179 172 L 4.6121 9.5912 128.9183 53.9861 42.2743 178.7041 173 K 3.5548 8.3513 120.2728 59.5475 32.1782 178.2343 174 E 4.3987 8.0835 115.1962 56.8873 29.4633 177.0992 175 E 4.6171 7.9756 118.4372 55.5220 31.2087 177.6762 176 W 4.6287 7.5973 129.1941 60.3673 30.4378 175.7339 177 P 4.1418 0.0000 0.0000 65.4568 30.5676 178.7495 178 G 3.5822 7.8422 103.6502 47.5323 0.0000 175.8036 179 V 3.6523 8.0126 121.7041 65.6726 31.4635 177.6762 180 K 3.6738 8.1408 119.2808 59.1749 31.6961 178.1652 181 A 3.8908 7.3533 119.3228 55.6396 17.9049 179.9811 182 R 3.8164 8.1107 116.0862 59.0206 29.9048 178.8785 183 L 3.7085 7.7378 120.0365 57.4510 42.1126 178.5154 184 E 3.7211 8.2377 118.5915 58.6979 29.1506 178.7729 185 A 4.2058 7.4464 120.3978 54.5715 18.6423 179.2055 186 R 3.9265 7.2830 116.3705 58.4989 30.1657 177.7202 187 L 4.1075 7.0897 117.4484 55.7462 42.6342 176.0611 188 Y 4.4982 7.5732 120.0479 58.0701 38.0797 175.4307 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 1 M 8.30 4.33 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 2 W 8.41 3.66 0.00 3.21 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 3 A 8.66 4.49 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.28 5.12 0.00 3.29 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.21 0.00 1.41 1.76 0.00 3.81 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 2.11 2.09 0.00 6 E 8.97 4.62 0.00 1.93 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 2.48 2.41 0.00 7 R 7.05 5.51 0.00 1.61 1.70 0.00 3.06 0.00 0.00 3.09 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 8 F 8.32 4.87 0.00 2.79 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 9 E 9.12 4.49 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 2.31 2.43 0.00 10 G 8.54 4.49 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 0.00 11 R 8.97 4.41 0.00 2.23 2.12 0.00 3.07 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 12 H 8.49 4.91 0.00 3.46 3.54 0.00 5.87 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 13 V 8.07 5.56 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 1.27 0.00 0.00 1.11 0.00 0.00 14 R 8.47 4.90 0.00 1.75 1.83 0.00 3.14 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 15 L 8.72 5.05 0.00 1.76 1.55 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 5.60 0.00 2.08 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 2.35 2.33 0.00 17 P 0.00 4.54 0.00 2.02 2.11 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 18 L 8.68 4.30 0.00 1.70 1.59 1.22 0.98 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 19 A 8.53 4.85 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 20 L 8.44 4.24 0.00 1.74 1.75 0.93 0.98 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 21 A 7.92 4.20 1.19 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 0.00 0.00 22 H 7.94 4.85 0.00 3.41 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.80 4.33 0.00 1.95 1.87 1.04 1.00 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 24 P 0.00 4.24 0.00 2.19 2.10 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 25 A 7.68 3.81 1.17 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 0.00 0.00 0.00 0.00 0.00 26 F 7.94 4.59 0.00 3.35 3.30 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 27 L 7.42 4.25 0.00 1.73 1.91 0.90 0.93 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 28 R 7.64 3.92 0.00 1.57 1.62 0.00 3.09 0.00 0.00 3.15 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 29 H 7.40 4.46 0.00 1.67 2.95 0.00 5.65 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.81 4.47 0.00 3.13 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 31 D 8.00 4.74 0.00 2.63 2.47 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 32 P 0.00 4.01 0.00 1.98 2.00 0.00 3.62 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 33 E 8.60 3.93 0.00 1.94 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 0.00 2.54 2.31 0.00 34 V 7.80 4.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.07 0.00 0.00 *36 R 8.00 4.19 0.00 1.73 1.51 0.00 2.21 0.00 0.00 2.65 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 37 F 7.65 5.06 0.00 3.12 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 38 L 7.70 4.90 0.00 1.77 1.71 1.14 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.85 4.42 0.00 4.02 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 40 R 7.30 4.69 0.00 1.92 1.92 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 41 A 8.19 4.28 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 42 P 0.00 4.39 0.00 2.14 2.04 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.20 3.96 1.87 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 1.25 0.67 0.87 0.00 0.00 69 L 8.56 4.75 0.00 1.64 1.64 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.79 5.18 0.00 2.83 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 71 G 8.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.79 4.59 0.00 1.81 1.84 0.00 1.43 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.46 7.81 73 E 7.84 4.85 0.00 2.11 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 2.26 2.32 0.00 74 V 8.32 4.30 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 0.75 0.00 0.00 0.94 0.00 0.00 75 A 8.71 2.58 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 84 E 8.02 4.27 0.00 1.79 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.41 0.00 85 P 0.00 3.22 0.00 1.58 0.60 0.00 3.14 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 86 E 7.98 3.89 0.00 1.69 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 2.20 2.15 0.00 87 H 7.98 4.67 0.00 3.09 3.28 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.58 4.06 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.05 5.68 0.00 1.86 1.94 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.21 7.81 90 L 7.85 4.54 0.00 1.82 1.97 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.42 5.09 0.00 2.03 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 2.26 2.36 0.00 92 L 8.70 5.29 0.00 2.05 1.72 1.07 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.09 4.27 0.00 2.52 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 0.00 119 E 7.67 4.08 0.00 2.23 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 2.65 2.83 0.00 120 V 7.70 3.66 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 0.99 0.00 0.00 0.98 0.00 0.00 121 L 8.06 3.35 0.00 1.00 0.13 0.63 0.17 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 0.00 122 R 7.51 4.46 0.00 1.90 1.98 0.00 3.10 0.00 0.00 3.08 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 123 A 8.46 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.10 4.86 0.00 1.97 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 0.00 2.26 2.32 0.00 125 R 7.89 4.76 0.00 1.94 1.73 0.00 3.22 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 1.58 1.65 0.00 126 V 8.46 5.37 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 0.48 0.00 0.00 0.38 0.00 0.00 127 Q 8.06 5.04 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 128 F 8.32 5.21 0.00 3.20 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 0.00 129 K 8.98 4.99 0.00 1.70 1.79 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.60 7.81 130 V 8.16 4.59 2.28 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 0.95 0.00 0.00 1.09 0.00 0.00 131 D 8.76 4.62 0.00 2.88 2.49 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 0.00 132 L 8.45 3.89 0.00 1.91 1.67 0.88 0.99 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 0.00 133 R 9.15 3.79 0.00 1.75 1.97 0.00 3.41 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 134 N 6.98 3.18 0.00 1.79 2.54 0.00 0.00 7.21 9.00 0.00 0.00 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 E 8.18 4.24 0.00 1.90 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 2.44 2.22 0.00 136 R 7.72 3.71 0.00 1.60 1.72 0.00 2.62 0.00 0.00 2.55 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 137 S 8.84 4.00 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.31 4.00 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 139 R 7.92 3.89 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 140 A 7.88 4.01 1.28 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 0.00 0.00 141 L 8.01 3.69 0.00 0.94 1.14 0.61 0.44 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 0.00 142 E 8.09 3.93 0.00 1.97 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 2.34 2.46 0.00 143 A 7.72 4.07 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 0.00 144 L 7.21 4.23 0.00 1.69 1.76 0.80 0.89 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 0.00 145 G 7.43 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 0.00 146 A 7.82 4.27 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 0.00 147 V 8.29 3.96 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 0.95 0.00 0.00 1.03 0.00 0.00 148 R 8.69 4.45 0.00 2.18 1.94 0.00 3.67 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 149 E 8.57 3.93 0.00 1.98 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 2.37 2.33 0.00 150 G 7.02 4.04 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 0.00 0.00 0.00 151 V 8.21 4.80 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 0.88 0.00 0.00 0.84 0.00 0.00 152 L 8.94 4.28 0.00 1.60 1.59 0.93 0.95 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 0.00 153 R 8.46 4.15 0.00 1.64 1.84 0.00 3.33 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 154 K 8.89 3.72 0.00 1.59 1.23 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.28 7.81 155 N 8.05 4.44 0.00 2.76 3.01 0.00 0.00 6.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.52 4.76 0.00 2.03 1.99 0.00 3.05 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 157 R 8.52 4.66 0.00 2.03 1.95 0.00 3.22 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 158 L 8.17 4.45 0.00 1.89 1.57 1.05 0.78 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 0.00 159 P 0.00 4.36 0.00 2.03 2.14 0.00 3.68 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 2.04 2.17 0.00 160 D 7.89 4.42 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.73 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 0.00 162 A 8.14 3.68 1.28 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 0.00 0.00 163 F 8.19 5.01 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 0.00 164 R 8.97 4.62 0.00 1.92 1.92 0.00 3.16 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 165 D 8.58 5.28 0.00 2.64 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 0.00 166 D 8.23 4.71 0.00 2.59 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 0.00 167 V 9.25 4.06 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 0.34 0.00 0.00 0.95 0.00 0.00 168 V 8.31 3.82 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 0.89 0.00 0.00 0.87 0.00 0.00 169 Y 8.43 5.40 0.00 3.37 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 0.00 170 S 8.28 5.28 0.00 3.86 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 0.00 171 V 7.86 4.72 2.39 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 1.11 0.00 0.00 1.24 0.00 0.00 172 L 9.59 4.61 0.00 1.76 1.73 0.94 0.66 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 0.00 173 K 8.35 3.55 0.00 1.91 1.98 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 174 E 8.08 4.40 0.00 1.98 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 2.32 2.39 0.00 175 E 7.98 4.62 0.00 2.13 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 2.22 2.26 0.00 176 W 7.60 4.63 0.00 2.48 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 0.00 177 P 0.00 4.14 0.00 2.13 2.01 0.00 3.57 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 178 G 7.84 3.58 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 0.00 0.00 0.00 179 V 8.01 3.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.14 0.00 0.00 180 K 8.14 3.67 0.00 0.79 0.90 0.00 0.86 0.00 0.00 1.11 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.42 7.81 181 A 7.35 3.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 R 8.11 3.82 0.00 1.88 1.96 0.00 3.10 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 183 L 7.74 3.71 0.00 1.92 1.80 0.86 1.25 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 0.00 184 E 8.24 3.72 0.00 2.16 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 2.24 2.43 0.00 185 A 7.45 4.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 R 7.28 3.93 0.00 1.55 1.96 0.00 3.22 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 187 L 7.09 4.11 0.00 0.48 0.81 0.43 0.56 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 0.00 188 Y 7.57 4.50 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.