NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1825 7.9133 117.9107 60.0915 33.9896 176.8052 4 L 3.8799 8.1529 121.9260 57.8640 41.5729 172.6087 5 V 3.8940 7.8124 116.9509 61.6558 33.2363 174.8681 6 P 4.5939 0.0000 0.0000 62.3310 33.5726 175.6079 *8 V 4.0015 8.3016 114.2211 62.3936 33.0227 177.0831 9 V 3.5991 8.2652 122.6384 65.0729 32.6942 175.7259 10 E 4.6261 7.8072 119.2184 53.8162 32.3482 174.6844 11 Q 4.0725 8.6945 126.8599 57.4072 30.0064 175.3542 12 T 3.2259 8.3743 121.0235 65.4497 65.9772 171.9839 *17 R 4.1213 7.6067 118.3828 56.0662 31.0931 176.6145 18 A 4.4776 8.3090 116.1152 53.3847 20.1513 177.2312 19 Y 4.7484 8.7172 121.4725 57.0355 39.0219 174.7404 20 D 5.5808 8.5677 126.5886 51.1424 42.3184 177.4167 21 I 3.4318 7.7625 117.1946 64.2802 37.7482 177.3811 22 Y 4.1878 7.4609 117.0484 61.4339 37.5268 178.9612 23 S 4.3304 7.9105 113.7775 61.7579 62.9864 176.7624 24 R 4.0468 7.8355 120.8648 59.0546 29.7786 178.9734 25 L 4.2113 8.0285 118.6666 57.2762 41.4781 179.1797 26 L 4.3132 7.8071 121.7814 57.3862 41.7701 178.6433 27 K 3.9540 7.7106 118.1042 59.4639 32.2099 176.6404 28 D 4.7674 8.0386 116.1716 53.8062 40.8989 176.1091 29 R 3.8632 8.1312 117.2122 57.5622 28.2596 175.7177 30 V 4.5533 7.8541 117.1193 61.1568 34.0390 174.1310 31 I 4.6167 8.7990 128.8890 59.5888 39.8133 174.4803 32 F 4.7439 8.9902 125.6069 56.2935 40.4348 175.4363 33 L 4.6281 9.1789 127.1852 53.3449 42.6922 175.1832 34 V 5.2088 7.4922 117.0699 59.3383 35.6883 177.3611 35 G 3.8197 8.7063 109.3069 44.7387 0.0000 172.7138 36 Q 4.3262 8.3846 118.4985 55.8870 29.8903 176.5232 37 V 4.0709 8.9012 124.8708 62.5056 32.2807 174.6231 38 E 4.8918 8.5061 124.8217 54.9272 32.8188 175.1277 39 D 4.4888 9.0492 119.1269 58.1351 40.8973 179.0337 40 H 4.0897 8.6389 115.1698 57.6464 30.0945 176.1298 *42 A 4.3069 8.0235 122.1443 52.2868 20.3182 179.4153 43 N 4.3726 8.3415 113.3732 56.1887 38.4812 177.7449 44 L 3.9400 7.7026 120.5657 57.6560 41.4582 179.4265 45 A 4.0174 7.7504 119.2782 55.1849 18.5312 179.2062 46 I 3.8083 7.9126 117.4320 64.4625 37.4732 178.1767 47 A 4.2518 8.3833 121.9499 55.0862 18.0977 180.5413 48 Q 4.2807 8.1242 114.8776 56.3614 28.6523 178.6706 *50 L 4.2896 7.9026 121.7224 54.9508 43.9479 179.0712 51 F 4.2160 8.4745 120.0093 61.4844 39.2911 177.1643 52 L 3.5518 8.2607 118.8295 57.5811 41.1199 179.2063 53 E 3.8522 7.9327 118.0475 59.1727 29.7462 178.2281 54 S 4.1730 7.9299 112.3772 61.4455 62.5006 175.7438 55 E 4.1917 7.7504 120.4108 58.0876 29.2179 176.9908 56 N 4.5394 7.8421 118.7411 52.1601 40.6837 173.0818 57 P 4.2579 0.0000 0.0000 64.7154 31.6321 177.2204 58 N 4.7383 8.1891 113.5229 53.0460 39.5564 175.0785 59 K 4.3735 7.3468 118.4756 55.3402 32.9954 176.7788 60 D 4.7196 8.7652 123.4797 55.2914 41.9136 175.8882 61 I 4.4563 8.7424 121.9302 59.7336 39.9931 174.2930 62 N 5.2297 8.9778 124.7342 51.6035 40.6824 173.6792 63 L 4.9301 9.2075 127.1638 53.6069 44.1677 174.4283 64 Y 5.1016 8.4531 125.6067 57.0648 39.6806 174.8308 65 I 4.8558 8.9386 125.6376 59.6710 40.3612 174.8301 66 N 5.0330 9.1673 125.4624 52.0228 40.2958 170.8790 67 S 5.0913 9.3568 116.8403 55.4952 65.5482 172.1255 68 P 4.5396 0.0000 0.0000 62.9793 32.1447 175.6825 69 G 3.7854 7.3895 105.7477 45.7931 0.0000 171.5240 70 G 4.2378 8.5139 104.8873 43.0194 0.0000 172.6689 71 A 4.4495 8.4523 123.2612 50.6760 20.0377 178.7473 72 V 3.6118 8.5765 123.0078 66.1288 31.8855 178.1313 73 T 3.9173 8.0223 108.4472 64.8755 68.2639 175.4011 74 S 4.2462 7.9786 117.6011 60.9987 63.4019 175.8651 75 A 4.6468 7.7009 124.8775 51.8524 17.5751 179.1526 *77 A 4.3248 8.1031 125.1945 53.4479 20.8631 180.0291 78 I 3.7247 7.3817 115.1382 64.6174 37.1938 177.5235 79 Y 4.1955 8.2345 119.4797 61.0318 38.8671 177.8191 80 D 4.5432 8.2462 119.0737 57.4547 40.9162 179.2464 81 T 3.7225 7.8806 114.9224 64.3084 68.7598 175.9493 *83 Q 4.1265 8.0829 121.1955 55.7565 30.8718 176.6800 84 F 4.3892 8.0826 119.6547 60.8378 39.6347 176.5145 85 V 3.7986 7.6570 112.4766 60.7476 32.0132 176.3716 86 K 3.9865 8.6114 124.1808 58.8918 32.2739 176.2890 87 P 4.4353 0.0000 0.0000 62.2662 32.1506 176.3999 88 D 4.3799 8.7218 123.1505 54.7287 42.1986 175.4821 89 V 4.5783 8.3274 123.4157 61.3817 33.0475 174.4725 90 R 4.7288 9.1489 130.7748 56.1865 31.3177 174.9919 91 T 5.1735 8.9730 116.8664 59.8647 71.6949 172.8984 92 L 4.8703 8.9559 126.5999 53.4131 45.3036 174.5816 93 C 4.9405 8.9045 127.7453 58.1902 31.7043 173.9164 94 I 3.4708 8.3237 121.6047 63.7079 37.4765 176.3589 95 G 4.0882 8.3469 107.7256 45.8678 0.0000 171.6048 96 Q 5.2632 9.1376 118.4390 53.2902 32.5312 174.4841 97 A 4.6692 8.8724 124.0196 49.4401 19.6881 176.4937 98 A 4.1830 8.8913 124.4113 51.0548 21.4961 177.4094 99 S 3.8616 8.3841 112.0897 61.8016 62.4183 176.4065 100 A 4.0866 7.9341 123.0180 55.0444 18.1218 179.6946 101 G 3.6162 8.0299 103.6336 47.8899 0.0000 175.6920 102 A 4.0012 8.4622 123.5920 54.5757 18.1064 179.3508 103 L 3.8436 7.5295 117.8152 58.3840 42.3210 179.0790 104 L 4.2211 7.5640 117.6625 57.6541 41.7751 178.8784 105 L 3.9053 8.2601 120.5441 58.4626 41.7521 178.9159 106 A 4.8028 7.7343 120.2465 53.3412 18.5006 178.6801 107 G 3.9462 7.4553 102.4905 43.8747 0.0000 173.8133 108 G 3.9938 7.1638 107.3155 45.2996 0.0000 173.6321 109 A 4.3178 8.8485 122.1377 51.3597 19.5727 177.3805 110 K 3.7990 8.7384 119.9110 58.4185 32.3149 177.5552 111 G 4.0196 9.4783 112.2636 45.6276 0.0000 173.1645 112 K 4.8513 8.1845 119.5014 56.2983 33.2187 176.0464 113 R 4.9708 7.9400 117.9695 53.7273 33.6819 175.3433 114 H 5.7923 9.4135 119.8037 54.1819 34.2430 171.5975 115 C 5.2501 7.8975 113.0139 56.5520 33.6550 172.9058 116 L 4.8979 8.1484 118.9280 52.8650 42.9058 176.7587 117 P 4.2320 0.0000 0.0000 65.2651 31.3758 177.3907 118 H 4.8653 7.8805 112.9536 55.3459 29.1508 174.4548 119 S 4.5139 7.8083 116.0243 59.0895 63.6416 173.8468 120 S 4.6809 9.1946 117.7308 56.7783 64.7427 173.5132 121 V 4.8120 8.0423 125.9589 61.0503 34.8208 174.0473 *123 I 4.2260 7.9851 114.9786 61.3101 38.9081 174.0917 124 H 5.2371 8.0935 117.2027 54.4903 30.9374 173.0542 125 Q 4.2878 8.7684 118.3689 55.9230 29.1934 176.6853 126 V 3.8516 8.3381 113.1549 61.6422 32.2274 175.6698 127 L 4.8492 7.7385 120.8126 53.3925 44.8541 176.8922 128 G 4.0356 7.3658 106.8539 47.8451 0.0000 173.0057 129 G 4.3069 8.1155 110.6723 45.9567 0.0000 171.4296 130 Y 4.7610 8.1126 121.1771 55.9521 42.0867 174.0240 131 Q 4.2765 6.9812 123.4769 52.9223 32.3591 175.3073 132 G 3.8352 8.2109 111.6454 45.4494 0.0000 172.2285 133 Q 4.2845 8.2462 119.5828 55.5566 30.7532 177.0770 134 G 3.8698 8.7904 110.3104 48.7019 0.0000 175.7619 135 T 3.9056 8.0578 117.9067 66.7288 68.3889 176.1478 136 D 4.3399 8.0821 119.8787 57.1780 40.9543 178.6430 137 I 3.7394 8.1064 120.6260 64.6083 37.2462 178.5091 138 Q 4.0138 8.2799 118.8464 58.8095 28.3862 178.9259 139 I 3.6547 7.3749 120.7676 64.7532 37.0992 178.2466 140 H 4.0718 8.2615 116.8926 58.4150 28.4330 177.7623 141 A 3.9897 8.1518 122.9503 54.9955 18.1551 179.8550 142 K 3.9552 7.9641 116.8514 59.5252 32.0692 179.4198 143 Q 3.9723 7.8322 119.7095 59.2504 28.9322 178.2601 144 T 3.8609 8.1762 117.2276 66.5140 68.3775 176.3218 145 Q 3.9575 8.0871 121.5531 59.0743 28.9638 178.3969 146 R 3.8193 7.9589 119.6359 59.4712 30.2027 178.4923 147 V 3.7013 7.8439 118.0483 66.1688 31.5879 177.7096 148 S 4.0786 8.4907 113.1018 61.5991 62.0798 175.9809 149 D 4.3270 8.3952 121.6862 57.5266 40.6131 178.5775 150 Q 4.2128 8.2882 120.2098 58.2892 28.6824 179.0635 151 L 3.8669 7.9413 121.1330 58.1885 42.0814 178.7432 152 N 4.3368 8.0199 116.1285 56.3563 38.1345 177.4256 153 Q 3.9641 8.3550 119.7208 58.9801 28.9481 178.9574 154 I 3.7003 7.7173 120.6864 64.3946 37.1370 178.5549 155 L 4.0280 7.9334 119.6052 57.5394 41.4158 179.2260 156 A 4.0339 8.2208 120.9767 55.1634 18.1208 179.2141 157 K 3.7289 7.9363 116.6979 60.3458 32.3128 178.1241 158 H 4.5062 8.0616 113.4790 57.4927 28.9403 176.7957 159 T 4.8524 7.5264 111.6038 60.5224 69.6841 175.9142 160 G 3.8973 8.2070 109.0275 45.0094 0.0000 173.7160 161 K 4.1708 7.4329 118.7040 55.5298 33.0880 177.2257 162 D 4.5516 8.2024 120.2693 54.1491 42.7158 177.8420 163 I 3.7124 8.2412 123.1355 64.7549 37.1144 178.7174 164 E 3.9517 8.1079 118.6900 58.8879 29.3032 179.0875 165 R 3.9504 7.7060 118.6445 58.9915 30.3785 178.3724 166 V 3.6482 7.8914 118.1587 65.7963 31.2966 177.5318 167 E 4.0095 8.2069 118.4421 59.2368 29.7565 178.4435 168 K 4.0431 7.7759 119.2561 59.7337 32.0638 178.5679 169 D 4.0801 7.9405 118.1948 56.7317 40.8476 177.8017 170 T 4.2851 7.7081 108.3714 61.7064 68.8819 175.8530 171 N 4.2579 7.5997 120.8657 55.7227 39.1094 174.1871 172 R 4.7266 7.1865 115.5362 53.4794 34.2221 174.3019 173 D 4.3673 8.6880 118.4202 55.6125 41.2392 176.1237 174 Y 4.6455 8.2783 123.6644 55.8707 40.8698 174.4317 175 F 4.6343 8.6544 125.5368 56.5627 40.3501 175.4491 176 L 4.9663 8.7981 122.6730 52.7946 45.0604 176.8082 177 T 4.1198 9.0006 113.5741 60.6233 69.8600 173.4847 178 P 4.1914 0.0000 0.0000 66.2727 31.1906 178.8005 179 E 4.0281 8.0753 116.6104 59.3609 29.4101 178.9973 180 E 4.0979 8.3226 118.4309 58.9513 29.4792 179.1938 181 A 4.0331 8.2878 121.6494 54.8898 18.2514 179.7245 182 V 3.8629 7.5855 117.1802 65.7391 31.7088 177.6132 183 E 4.0749 7.9982 117.6262 59.4157 29.5002 177.7898 184 Y 4.1437 8.1307 119.1575 58.6123 39.0648 176.2799 185 G 4.0903 8.1473 107.5492 45.1257 0.0000 175.1693 186 L 4.1291 8.1625 121.4241 56.6707 42.0258 176.7809 187 I 4.9030 7.3925 109.8389 59.1183 40.7929 175.1154 188 D 4.6491 8.6168 120.9584 56.3763 41.9384 176.7409 189 S 4.5776 7.5354 110.5631 57.6895 66.3454 173.5954 190 I 4.7209 8.1868 120.6180 59.4863 39.4097 175.2159 191 F 5.0102 8.0443 125.2243 55.8229 39.8172 175.9617 192 K 4.1272 9.0576 125.7026 58.9802 32.3861 176.3815 193 E 4.7595 7.6725 114.5973 53.9892 33.6105 174.8890 194 R 3.6643 8.3708 121.1834 55.8315 30.6585 174.7385 195 P 4.2836 0.0000 0.0000 62.9874 31.4714 175.9612 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 V 7.91 4.18 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 0.76 0.00 0.00 0.93 0.00 0.00 4 L 8.15 3.88 0.00 1.70 1.77 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.81 3.89 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 0.73 0.00 0.00 0.86 0.00 0.00 6 P 0.00 4.59 0.00 2.14 1.96 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 *8 V 8.30 4.00 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 0.80 0.00 0.00 0.94 0.00 0.00 9 V 8.27 3.60 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 0.81 0.00 0.00 0.86 0.00 0.00 10 E 7.81 4.63 0.00 1.87 1.74 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 2.19 2.28 0.00 11 Q 8.69 4.07 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 12 T 8.37 3.23 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 1.22 0.00 0.00 *17 R 7.61 4.12 0.00 1.85 1.81 0.00 3.26 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 18 A 8.31 4.48 1.30 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 0.00 0.00 19 Y 8.72 4.75 0.00 2.85 2.93 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 20 D 8.57 5.58 0.00 2.81 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 I 7.76 3.43 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.27 0.00 0.00 22 Y 7.46 4.19 0.00 3.28 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 23 S 7.91 4.33 0.00 4.42 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 0.00 24 R 7.84 4.05 0.00 1.80 1.75 0.00 2.59 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 25 L 8.03 4.21 0.00 2.03 1.88 1.11 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.81 4.31 0.00 2.04 1.98 1.17 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.71 3.95 0.00 2.04 1.97 0.00 2.06 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.57 7.81 28 D 8.04 4.77 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.13 3.86 0.00 2.00 1.97 0.00 3.04 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 30 V 7.85 4.55 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 0.51 0.00 0.00 0.78 0.00 0.00 31 I 8.80 4.62 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.94 0.00 0.00 32 F 8.99 4.74 0.00 2.72 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 33 L 9.18 4.63 0.00 1.71 1.56 0.94 0.74 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 34 V 7.49 5.21 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 1.38 0.00 0.00 0.94 0.00 0.00 35 G 8.71 3.82 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 0.00 36 Q 8.38 4.33 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 37 V 8.90 4.07 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 0.97 0.00 0.00 0.94 0.00 0.00 38 E 8.51 4.89 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.60 0.00 39 D 9.05 4.49 0.00 2.75 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 40 H 8.64 4.09 0.00 3.22 3.61 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 A 8.02 4.31 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.37 0.00 2.70 2.85 0.00 0.00 7.05 7.04 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 44 L 7.70 3.94 0.00 1.59 1.68 0.86 0.61 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 45 A 7.75 4.02 1.34 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 46 I 7.91 3.81 2.02 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 1.47 0.72 0.93 0.00 0.00 47 A 8.38 4.25 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 48 Q 8.12 4.28 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.34 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 *50 L 7.90 4.29 0.00 1.96 1.84 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.47 4.22 0.00 3.14 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 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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 61 I 8.74 4.46 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 1.20 0.65 0.90 0.00 0.00 62 N 8.98 5.23 0.00 2.51 2.63 0.00 0.00 6.11 7.48 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 63 L 9.21 4.93 0.00 1.68 1.68 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.45 5.10 0.00 1.93 2.33 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 65 I 8.94 4.86 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 1.13 1.07 0.92 0.00 0.00 66 N 9.17 5.03 0.00 2.89 2.74 0.00 0.00 6.18 6.61 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 67 S 9.36 5.09 0.00 3.91 3.66 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 68 P 0.00 4.54 0.00 2.25 2.18 0.00 4.03 0.00 0.00 3.69 0.00 0.00 0.00 0.00 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0.00 78 I 7.38 3.72 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.94 0.00 0.00 79 Y 8.23 4.20 0.00 2.92 3.02 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 80 D 8.25 4.54 0.00 2.78 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 81 T 7.88 3.72 4.45 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 1.28 0.00 0.00 *83 Q 8.08 4.13 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 84 F 8.08 4.39 0.00 2.99 3.26 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 85 V 7.66 3.80 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 0.80 0.00 0.00 0.96 0.00 0.00 86 K 8.61 3.99 0.00 1.59 1.85 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 87 P 0.00 4.44 0.00 1.94 2.21 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.11 4.76 0.00 2.79 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 0.00 131 Q 6.98 4.28 0.00 1.78 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 132 G 8.21 3.84 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 0.00 0.00 0.00 133 Q 8.25 4.28 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 134 G 8.79 3.87 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 0.00 0.00 0.00 135 T 8.06 3.91 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 1.21 0.00 0.00 136 D 8.08 4.34 0.00 3.03 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 0.00 137 I 8.11 3.74 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.06 0.97 0.00 0.00 138 Q 8.28 4.01 0.00 2.18 2.13 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 2.64 2.54 0.00 139 I 7.37 3.65 1.86 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 1.46 1.45 0.73 0.00 0.00 140 H 8.26 4.07 0.00 2.79 3.21 0.00 5.62 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 0.00 141 A 8.15 3.99 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 0.00 142 K 7.96 3.96 0.00 1.96 1.83 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 143 Q 7.83 3.97 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 144 T 8.18 3.86 4.39 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 1.21 0.00 0.00 145 Q 8.09 3.96 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 146 R 7.96 3.82 0.00 1.91 2.03 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 147 V 7.84 3.70 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 0.92 0.00 0.00 0.97 0.00 0.00 148 S 8.49 4.08 0.00 3.93 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 0.00 149 D 8.40 4.33 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.29 4.21 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 151 L 7.94 3.87 0.00 1.71 1.77 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.02 4.34 0.00 2.92 2.83 0.00 0.00 7.07 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 0.00 153 Q 8.35 3.96 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 154 I 7.72 3.70 1.65 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.10 0.38 0.00 0.00 155 L 7.93 4.03 0.00 1.72 1.78 0.89 0.81 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 0.00 156 A 8.22 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.73 0.00 1.81 2.07 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.46 7.81 158 H 8.06 4.51 0.00 3.27 3.53 0.00 5.69 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 0.00 159 T 7.53 4.85 4.52 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 1.44 0.00 0.00 160 G 8.21 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.43 4.17 0.00 1.67 1.59 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.11 0.73 7.81 162 D 8.20 4.55 0.00 2.65 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 0.00 163 I 8.24 3.71 1.85 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 0.71 0.89 0.00 0.00 164 E 8.11 3.95 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 2.38 2.41 0.00 165 R 7.71 3.95 0.00 1.88 2.04 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 166 V 7.89 3.65 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 1.01 0.00 0.00 1.06 0.00 0.00 167 E 8.21 4.01 0.00 2.07 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 0.00 2.30 2.30 0.00 168 K 7.78 4.04 0.00 1.80 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 169 D 7.94 4.08 0.00 2.55 1.81 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 0.00 170 T 7.71 4.29 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 171 N 7.60 4.26 0.00 2.74 2.94 0.00 0.00 6.87 8.73 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 0.00 172 R 7.19 4.73 0.00 1.82 1.82 0.00 3.31 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 173 D 8.69 4.37 0.00 2.62 2.52 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 0.00 174 Y 8.28 4.65 0.00 3.06 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 0.00 175 F 8.65 4.63 0.00 2.85 2.86 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 0.00 0.00 0.00 176 L 8.80 4.97 0.00 1.46 1.43 0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 177 T 9.00 4.12 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 1.18 0.00 0.00 178 P 0.00 4.19 0.00 2.14 2.12 0.00 3.57 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 2.30 2.17 0.00 179 E 8.08 4.03 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 180 E 8.32 4.10 0.00 2.23 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 2.32 0.00 181 A 8.29 4.03 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 0.00 182 V 7.59 3.86 2.22 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 1.16 0.00 0.00 0.92 0.00 0.00 183 E 8.00 4.07 0.00 2.04 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 0.00 2.39 2.43 0.00 184 Y 8.13 4.14 0.00 3.26 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 0.00 185 G 8.15 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.16 4.13 0.00 1.77 1.75 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.39 4.90 1.92 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 1.40 0.93 0.87 0.00 0.00 188 D 8.62 4.65 0.00 2.56 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.54 4.58 0.00 3.85 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 0.00 190 I 8.19 4.72 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.88 0.00 0.00 191 F 8.04 5.01 0.00 2.91 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 0.00 192 K 9.06 4.13 0.00 1.72 1.87 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 193 E 7.67 4.76 0.00 1.89 1.75 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 2.21 2.35 0.00 194 R 8.37 3.66 0.00 1.69 1.76 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 195 P 0.00 4.28 0.00 2.01 1.72 0.00 3.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.00 * Residues marked with a * may have inaccurate shift predictions.