NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.9676 8.4444 116.4673 56.0525 30.1998 171.2772 4 T 4.5608 9.2903 113.7042 59.8649 71.6693 166.8755 5 V 4.9539 8.1577 124.2739 60.9234 33.7838 173.9452 6 E 4.7024 8.8107 125.8674 54.3045 32.6573 175.2722 7 V 3.8260 8.0598 121.5679 63.5234 31.5596 174.7220 8 M 4.3479 9.2782 128.2499 56.7515 33.8828 176.0530 9 I 4.5297 7.3661 119.7386 58.9122 40.6160 175.7256 10 S 4.5015 8.6407 121.8494 57.8730 63.9145 174.6622 11 E 4.1716 8.9668 123.6767 59.2841 29.2154 179.4594 12 Q 4.1092 8.0532 117.2456 58.8124 28.8209 178.0981 13 E 4.0431 8.2188 120.3313 59.0221 29.6549 179.0980 14 V 3.8385 8.2171 118.4975 66.0225 31.6462 177.8060 15 A 4.0629 8.4563 120.9800 55.3163 18.2644 179.3616 16 Q 3.9237 8.3339 118.0567 59.3786 29.0792 178.5038 17 R 4.0127 8.1541 119.7784 59.5020 30.0904 178.6168 18 I 3.8372 8.0141 119.7815 64.0943 37.0909 178.1729 19 R 4.0339 8.2067 119.8088 59.6777 29.8369 178.4807 20 E 3.9657 8.0512 118.0717 59.2670 29.3698 179.2925 21 L 3.9172 8.1600 119.2922 57.6563 41.6467 179.5402 22 G 3.8871 8.2830 107.2833 47.3552 0.0000 175.6378 23 Q 3.9919 8.0899 120.5595 58.6946 28.7043 178.9126 24 Q 4.0385 8.1416 119.1329 58.9476 28.7025 178.9885 25 I 3.2048 7.6402 121.1606 64.3019 36.8436 178.4212 26 T 3.8775 7.8421 115.9184 66.6671 68.4861 175.8132 27 E 4.0759 8.1726 120.9540 59.6429 29.4772 178.3363 28 H 4.1152 8.1822 116.8872 59.0156 30.1239 175.8540 29 Y 4.6095 7.8936 116.3923 56.5693 37.9003 174.9850 30 Q 4.0821 7.1679 122.3442 58.0531 29.3275 177.2276 31 G 3.9537 9.0610 113.2039 45.2413 0.0000 172.7955 32 S 4.5499 8.1371 115.4459 57.3251 63.1479 173.6790 33 S 4.6906 8.6726 120.6491 58.4454 63.3350 173.6897 34 D 4.9452 7.9696 120.2341 54.2756 42.2531 175.4235 35 L 4.5108 7.8031 122.1514 54.8985 43.5736 175.9703 36 V 4.8350 8.6398 125.3909 59.9887 34.8089 174.2229 37 L 4.6937 8.6343 125.5690 53.7176 43.3980 175.7423 38 V 4.4773 9.1157 124.4207 60.9678 33.9755 174.4310 39 G 4.3381 8.4012 116.2791 45.3161 0.0000 172.2699 40 L 5.0489 8.5372 124.5943 53.7882 42.6603 176.6140 41 L 4.5807 8.8729 124.9756 54.5153 42.2116 177.7763 42 R 4.2293 8.7362 119.6006 58.2623 30.6866 179.3383 43 G 4.0601 8.4253 106.2403 47.8002 0.0000 174.8635 44 S 4.7292 8.1620 113.7306 59.0926 63.9156 176.1870 45 F 4.5346 8.2838 118.3722 59.9543 37.5269 177.7476 46 V 3.1544 6.8014 118.3139 65.6191 31.3970 177.3709 47 F 4.3975 8.1835 119.9433 61.6943 39.1072 176.4413 48 M 3.6851 8.5177 117.7159 58.5571 31.5432 177.7112 49 A 4.0295 8.0913 120.8091 55.6903 18.3019 179.4567 50 D 4.3358 7.9348 115.7270 57.1200 41.1366 178.5981 51 L 3.9099 8.0606 120.9864 58.0474 42.2073 178.5463 52 A 3.9272 7.8896 120.7989 55.5724 18.0737 179.6738 53 R 4.0721 7.5588 113.3780 58.1296 30.3643 178.0317 54 Q 4.5570 8.1636 117.5282 54.5107 28.9254 174.6163 55 I 4.2391 6.9347 121.7298 60.1784 38.1104 176.6233 56 H 4.7725 8.3530 128.3953 54.0117 27.2562 175.3009 57 L 4.7646 7.1141 118.1216 53.0364 46.1934 176.8364 58 T 4.0146 8.4593 119.5154 63.8614 68.7185 173.4744 59 H 5.0456 8.1697 120.7271 54.5439 32.3120 172.1963 60 Q 4.6629 8.8016 117.5355 54.3470 31.6469 174.9994 61 V 4.7618 8.0312 119.2753 61.4916 34.7409 173.6761 62 D 4.7488 8.6717 125.4559 53.3299 45.5687 173.2859 63 F 5.3507 8.5018 116.7507 56.1508 43.6305 173.5909 64 M 5.1615 9.3625 121.1937 54.1140 36.1234 174.3186 65 T 4.8885 9.1057 120.5902 61.9248 71.1342 172.9705 66 A 5.2813 8.7309 128.4114 50.1879 21.5307 175.5964 67 S 4.5749 8.7761 115.8084 58.3025 65.0038 174.7289 68 S 3.2557 9.0055 119.9594 60.4450 62.5189 174.0470 *76 S 4.4557 8.5189 124.3133 58.8840 64.2854 176.2061 77 R 4.0390 7.6972 120.1995 59.2477 30.4387 177.1062 78 D 4.3153 7.8670 117.5954 54.9344 41.3895 176.7159 79 V 4.1737 8.2745 123.2676 62.5868 31.8148 175.2088 80 R 4.7160 8.6868 127.3303 54.5541 33.4659 175.7267 81 I 4.4846 8.1713 122.2274 60.2829 37.3119 175.5896 82 L 4.2987 8.9278 129.0467 56.6737 42.7629 177.8970 83 K 4.4514 7.7245 120.2289 55.0779 35.3220 175.9337 84 D 4.8962 8.7334 127.2943 52.7503 42.5175 175.3141 85 L 4.5737 8.0598 120.1795 54.5347 42.0045 177.5638 86 D 4.5330 9.1456 121.3909 56.0056 41.2045 176.4598 87 D 5.0539 8.2796 117.5003 51.8536 43.8851 175.5265 88 D 4.6167 8.3957 120.3595 54.5985 41.4309 176.6346 89 I 4.4732 8.0094 112.1232 59.6809 38.9211 175.1372 90 K 4.0626 7.5670 122.1740 57.6301 32.1086 176.4228 91 G 3.9160 9.0456 113.8693 45.8791 0.0000 173.0439 92 K 4.5937 8.0004 119.2018 54.6065 35.3774 175.4023 93 D 4.9343 8.8461 122.9574 53.5426 42.0581 175.7273 94 V 4.5141 8.9233 125.3749 61.2314 33.6255 174.2231 95 L 5.0092 8.8937 130.5555 53.2293 44.0446 175.2020 96 L 4.6924 9.0254 127.9002 54.5054 43.4575 176.2479 97 V 4.9015 9.1296 123.4402 61.2703 34.1668 174.0655 98 E 5.1837 9.5802 127.7186 54.6226 32.6991 176.9809 99 D 4.4212 8.9503 122.6134 56.3475 40.6846 175.9417 100 I 5.4746 7.4842 117.0502 59.4369 41.4098 173.4632 101 I 4.2461 8.5295 129.4763 59.9518 39.2200 173.7022 102 D 4.9001 8.9322 124.9635 54.7187 42.5714 177.8728 103 T 4.6435 8.6879 110.9334 61.2109 69.7822 177.1388 104 G 3.9669 8.3051 109.4325 45.6232 0.0000 174.4721 105 N 4.2592 7.7728 117.5767 57.1122 38.5026 177.1521 106 T 3.8854 7.7959 115.9085 66.6324 68.6466 176.3732 107 L 3.9606 7.9194 121.7330 58.1472 42.1443 178.2595 108 N 4.2877 8.3911 117.0821 56.8158 38.8044 177.0461 109 K 4.1987 8.0069 119.4230 59.2648 32.0627 179.5649 110 V 3.5775 8.0193 118.7674 65.7821 31.3696 177.9318 111 K 3.9091 8.3770 119.6749 59.7158 31.8382 178.5706 112 E 3.9679 7.9825 117.4608 59.4260 29.4345 179.1831 113 I 3.8784 8.0786 120.1055 64.4876 37.1791 178.5770 114 L 4.0245 8.2623 119.6305 57.4542 41.4043 179.2758 115 A 4.0138 8.2603 121.2088 55.0585 18.0217 179.5274 116 L 4.0665 7.5253 116.5357 57.3809 41.4745 178.8226 117 R 4.2318 8.0805 116.7430 55.1286 30.8757 175.7537 118 E 3.6576 8.3906 118.3181 56.5753 27.2328 172.7683 119 P 4.9116 0.0000 0.0000 62.4765 32.4386 176.2420 120 K 4.1998 8.4759 122.1984 59.9097 32.6210 176.8413 121 S 4.7687 7.6793 111.0878 57.5421 66.0711 174.0177 122 I 5.1553 8.3552 121.1383 59.9352 40.4076 174.7685 123 R 4.8682 9.0859 124.4040 54.7588 35.3908 173.8818 124 I 5.2248 8.0985 118.6491 60.2760 41.8243 174.1822 125 C 5.6198 9.5618 126.4169 58.0535 34.9952 172.5054 126 T 5.8462 8.9329 119.5239 59.2994 70.4495 174.2142 127 L 3.3190 8.3401 130.0176 57.3676 43.2011 176.3807 128 L 5.4889 8.2120 117.8825 52.8357 45.6829 175.1506 129 D 5.0755 9.0160 120.8691 52.7199 44.6223 174.7645 130 K 4.9229 9.0601 126.3780 53.2358 31.8112 175.1058 131 P 4.3659 0.0000 0.0000 65.0438 31.9132 179.3607 132 T 4.0370 7.8272 108.0547 63.6626 69.1143 175.0421 133 R 4.2780 7.9760 120.8838 56.1323 30.5702 176.1461 134 R 4.8404 7.5578 118.9107 55.9777 30.4675 175.8394 135 E 4.5920 9.0253 123.3642 56.0833 32.0974 176.4969 136 V 4.3935 7.5736 117.3699 60.6521 34.1792 174.4237 137 D 4.7356 8.6244 126.8261 52.8586 40.5233 176.0005 138 V 4.4357 7.7606 119.3720 59.9424 34.3788 174.0274 139 E 3.9837 8.7280 123.6992 55.7864 29.9040 175.8144 140 V 4.2612 8.1003 126.2859 61.1786 32.7513 174.7665 141 N 4.1817 8.7892 125.4114 55.4228 39.1449 175.8171 142 W 5.0734 8.3508 118.0385 54.7293 33.0137 174.7175 143 V 4.7668 8.5461 123.5972 61.1653 33.1586 175.0806 144 G 3.5889 9.2113 116.7821 48.7072 0.0000 173.4791 145 F 4.9734 8.4754 119.2607 55.2645 43.7783 173.0157 146 E 5.0394 8.9842 123.5334 55.5826 30.0233 175.6464 147 I 4.8700 8.8557 117.5509 58.3160 41.8467 173.1858 148 P 4.4569 0.0000 0.0000 61.9923 32.6143 176.7863 149 D 4.4923 8.1766 118.7615 53.0293 39.2022 174.4728 150 E 4.3888 7.5588 121.7511 53.8254 32.5771 176.1051 151 F 4.5783 8.2955 118.5669 57.6329 39.2097 175.3884 152 V 4.9324 8.3832 116.8473 59.9806 34.2142 175.6562 153 V 4.5735 8.6337 114.7898 60.4278 36.7246 174.3669 154 G 4.1116 9.3850 108.1569 45.5604 0.0000 173.5803 155 V 3.1763 9.2833 116.7034 63.8032 30.3674 173.7715 156 G 4.0103 8.3179 107.7091 46.2984 0.0000 173.5959 157 I 4.2216 7.8841 121.8955 60.3271 38.0431 174.8979 158 D 5.4085 8.5196 124.1207 51.8178 41.6578 175.0598 159 Y 4.5088 8.6294 120.7010 56.5520 40.4820 175.3998 160 A 3.5624 9.0924 130.9698 53.2901 16.1428 177.6735 161 Q 3.8555 8.3135 117.4881 57.2802 28.0376 174.5300 162 K 4.1137 7.7221 117.9757 56.4361 33.5848 177.2163 163 Y 3.7690 8.1909 115.6964 58.3138 35.7000 171.7106 164 R 4.1184 7.9409 120.1505 59.3955 30.2323 177.5587 165 H 4.6502 7.7316 110.3054 55.7139 29.4145 175.4886 166 L 4.0000 7.4108 121.9970 54.3750 41.4636 175.9890 167 P 4.4581 0.0000 0.0000 63.7355 32.4086 174.8357 168 Y 4.8201 6.9873 117.1974 55.0842 41.8667 174.5471 169 I 4.4276 8.5112 121.6415 60.8824 38.5118 175.8421 170 G 4.5453 9.2698 114.4327 44.2792 0.0000 171.5352 171 K 5.0926 8.8265 120.9982 54.2311 35.1121 175.1198 172 V 4.1396 8.3306 128.3362 62.6373 31.9305 175.3183 173 V 4.6449 9.2303 128.9380 60.0204 35.0345 172.7803 174 P 4.5966 0.0000 0.0000 63.7083 31.9009 177.3719 175 L 4.4112 8.6427 123.6502 54.8225 43.1672 174.6537 176 A 4.2461 7.9320 118.0994 53.5197 18.3280 177.6173 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 3 H 8.44 4.97 0.00 3.20 3.35 0.00 5.45 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.29 4.56 4.23 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 1.26 0.00 0.00 5 V 8.16 4.95 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 0.86 0.00 0.00 0.31 0.00 0.00 6 E 8.81 4.70 0.00 2.01 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 2.16 2.18 0.00 7 V 8.06 3.83 1.84 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 0.56 0.00 0.00 0.07 0.00 0.00 8 M 9.28 4.35 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 9 I 7.37 4.53 1.52 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.17 0.00 0.00 10 S 8.64 4.50 0.00 3.98 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 11 E 8.97 4.17 0.00 2.12 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 2.54 2.29 0.00 12 Q 8.05 4.11 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 13 E 8.22 4.04 0.00 2.12 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 2.64 2.49 0.00 14 V 8.22 3.84 2.29 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 1.05 0.00 0.00 0.89 0.00 0.00 15 A 8.46 4.06 1.36 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 0.00 0.00 0.00 16 Q 8.33 3.92 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 17 R 8.15 4.01 0.00 1.93 2.06 0.00 3.17 0.00 0.00 2.78 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.44 0.00 18 I 8.01 3.84 2.09 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.69 0.96 0.00 0.00 19 R 8.21 4.03 0.00 1.89 2.15 0.00 3.11 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 20 E 8.05 3.97 0.00 2.21 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 2.54 0.00 21 L 8.16 3.92 0.00 1.82 1.60 1.10 0.85 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 22 G 8.28 3.89 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 0.00 0.00 0.00 23 Q 8.09 3.99 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 24 Q 8.14 4.04 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 25 I 7.64 3.20 1.54 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.79 0.00 0.00 26 T 7.84 3.88 4.37 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 1.27 0.00 0.00 27 E 8.17 4.08 0.00 2.15 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 0.00 2.34 2.38 0.00 28 H 8.18 4.12 0.00 3.34 3.31 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.89 4.61 0.00 3.15 2.92 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 30 Q 7.17 4.08 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 31 G 9.06 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 32 S 8.14 4.55 0.00 3.94 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 33 S 8.67 4.69 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.97 4.95 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.80 4.51 0.00 1.50 1.39 0.12 0.42 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 36 V 8.64 4.83 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 0.69 0.00 0.00 0.85 0.00 0.00 37 L 8.63 4.69 0.00 1.46 1.45 0.71 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.12 4.48 2.04 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 0.84 0.00 0.00 0.86 0.00 0.00 39 G 8.40 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 40 L 8.54 5.05 0.00 1.80 1.71 1.03 0.51 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 41 L 8.87 4.58 0.00 1.73 1.61 0.76 0.86 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 42 R 8.74 4.23 0.00 1.91 2.04 0.00 3.09 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 43 G 8.43 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 44 S 8.16 4.73 0.00 4.24 4.35 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 45 F 8.28 4.53 0.00 3.33 3.33 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 46 V 6.80 3.15 1.90 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 0.90 0.00 0.00 0.02 0.00 0.00 47 F 8.18 4.40 0.00 3.04 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 48 M 8.52 3.69 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 49 A 8.09 4.03 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 50 D 7.93 4.34 0.00 2.73 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 51 L 8.06 3.91 0.00 1.18 1.24 0.73 0.87 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 52 A 7.89 3.93 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 53 R 7.56 4.07 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 54 Q 8.16 4.56 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 55 I 6.93 4.24 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.80 0.00 0.00 56 H 8.35 4.77 0.00 3.17 3.26 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.11 4.76 0.00 1.60 1.52 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.46 4.01 4.23 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 1.18 0.00 0.00 59 H 8.17 5.05 0.00 3.15 3.12 0.00 5.50 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.80 4.66 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 *76 S 8.52 4.46 0.00 3.65 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 77 R 7.70 4.04 0.00 1.80 2.00 0.00 3.20 0.00 0.00 3.23 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 78 D 7.87 4.32 0.00 2.67 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 79 V 8.27 4.17 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 0.80 0.00 0.00 0.94 0.00 0.00 80 R 8.69 4.72 0.00 1.81 1.80 0.00 3.16 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 81 I 8.17 4.48 1.88 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 1.36 0.55 0.93 0.00 0.00 82 L 8.93 4.30 0.00 1.62 1.72 0.93 0.81 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 83 K 7.72 4.45 0.00 1.83 1.62 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.53 7.81 84 D 8.73 4.90 0.00 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0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 93 D 8.85 4.93 0.00 2.47 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.92 4.51 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 0.91 0.00 0.00 0.92 0.00 0.00 95 L 8.89 5.01 0.00 1.58 1.43 0.84 0.83 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 96 L 9.03 4.69 0.00 1.90 1.63 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 V 9.13 4.90 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 0.88 0.00 0.00 0.88 0.00 0.00 98 E 9.58 5.18 0.00 1.96 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 2.30 2.43 0.00 99 D 8.95 4.42 0.00 2.75 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 0.00 100 I 7.48 5.47 1.88 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 1.38 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4.20 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.60 7.81 110 V 8.02 3.58 2.23 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 1.10 0.00 0.00 0.98 0.00 0.00 111 K 8.38 3.91 0.00 1.86 2.03 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 112 E 7.98 3.97 0.00 2.15 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 0.00 2.35 2.50 0.00 113 I 8.08 3.88 2.03 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 1.53 0.83 0.92 0.00 0.00 114 L 8.26 4.02 0.00 1.70 1.72 0.93 0.65 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 0.00 115 A 8.26 4.01 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 0.00 116 L 7.53 4.07 0.00 1.77 1.76 0.93 0.88 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 0.00 117 R 8.08 4.23 0.00 1.98 1.95 0.00 3.27 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.93 5.85 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 127 L 8.34 3.32 0.00 0.27 1.35 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.21 5.49 0.00 1.58 1.51 0.88 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 0.00 129 D 9.02 5.08 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.92 0.00 1.73 1.70 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.19 7.81 131 P 0.00 4.37 0.00 2.21 2.31 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 132 T 7.83 4.04 4.23 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 1.20 0.00 0.00 133 R 7.98 4.28 0.00 2.03 1.98 0.00 3.27 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 134 R 7.56 4.84 0.00 1.86 1.87 0.00 3.09 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 135 E 9.03 4.59 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 136 V 7.57 4.39 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 0.86 0.00 0.00 0.93 0.00 0.00 137 D 8.62 4.74 0.00 2.80 2.64 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 0.00 138 V 7.76 4.44 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 0.72 0.00 0.00 0.94 0.00 0.00 139 E 8.73 3.98 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 140 V 8.10 4.26 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 0.93 0.00 0.00 0.98 0.00 0.00 141 N 8.79 4.18 0.00 2.09 1.54 0.00 0.00 6.95 7.68 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 0.00 142 W 8.35 5.07 0.00 3.42 2.92 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 0.00 143 V 8.55 4.77 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 0.84 0.00 0.00 0.96 0.00 0.00 144 G 9.21 3.59 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 0.00 145 F 8.48 4.97 0.00 2.90 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 0.00 146 E 8.98 5.04 0.00 1.88 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 2.29 2.32 0.00 147 I 8.86 4.87 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 1.30 0.95 0.92 0.00 0.00 148 P 0.00 4.46 0.00 2.17 2.10 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 149 D 8.18 4.49 0.00 2.60 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 0.00 0.00 0.00 0.00 150 E 7.56 4.39 0.00 1.94 1.82 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 2.34 2.21 0.00 151 F 8.30 4.58 0.00 2.99 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 0.00 152 V 8.38 4.93 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 0.69 0.00 0.00 0.96 0.00 0.00 153 V 8.63 4.57 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 0.82 0.00 0.00 0.71 0.00 0.00 154 G 9.38 4.11 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 0.00 155 V 9.28 3.18 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 0.74 0.00 0.00 0.92 0.00 0.00 156 G 8.32 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.88 4.22 2.05 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 1.57 0.76 1.01 0.00 0.00 158 D 8.52 5.41 0.00 2.80 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 0.00 159 Y 8.63 4.51 0.00 2.98 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 0.00 160 A 9.09 3.56 0.82 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 0.00 0.00 161 Q 8.31 3.86 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 162 K 7.72 4.11 0.00 1.33 0.74 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.35 7.81 163 Y 8.19 3.77 0.00 3.20 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 0.00 164 R 7.94 4.12 0.00 2.00 2.13 0.00 3.27 0.00 0.00 3.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 165 H 7.73 4.65 0.00 3.28 3.50 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.41 4.00 0.00 1.27 0.68 0.46 0.69 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 0.00 167 P 0.00 4.46 0.00 2.29 2.33 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 168 Y 6.99 4.82 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 8.51 4.43 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.59 0.83 0.00 0.00 170 G 9.27 4.55 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 0.00 0.00 0.00 171 K 8.83 5.09 0.00 1.77 1.60 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.51 7.81 172 V 8.33 4.14 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 0.15 0.00 0.00 0.58 0.00 0.00 173 V 9.23 4.64 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 0.93 0.00 0.00 0.91 0.00 0.00 174 P 0.00 4.60 0.00 2.12 2.05 0.00 3.81 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 1.99 1.98 0.00 175 L 8.64 4.41 0.00 1.69 1.54 0.92 0.78 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 0.00 176 A 7.93 4.25 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 * Residues marked with a * may have inaccurate shift predictions.