NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7011 8.4249 119.1932 53.7091 40.0596 173.6394 3 E 3.9707 8.1334 119.7121 55.3226 35.0251 175.9017 4 Q 4.0635 8.4067 121.1307 58.7337 30.0699 177.3863 5 A 4.4631 8.0504 123.0734 54.3568 18.6844 179.3266 6 I 3.8443 8.0994 117.9124 64.7889 37.0730 178.3460 7 L 4.2089 7.7542 119.5088 58.2236 41.1882 179.2890 8 Q 3.7846 7.9710 118.0020 59.4392 28.6672 180.0015 9 S 4.1691 8.5220 115.6063 61.6490 63.0198 176.5183 10 A 3.9823 8.3090 123.1260 55.2074 17.9818 179.1214 11 E 3.9875 8.9401 117.1786 58.7832 29.7409 178.3355 12 A 4.2496 7.4071 120.0747 54.1487 19.5640 178.9295 13 W 4.2712 8.0604 126.7548 60.8749 30.6722 178.3743 14 V 3.4122 7.7148 116.1291 64.9991 30.8716 177.2246 15 K 3.5578 7.5248 118.3238 58.4647 32.7047 178.2412 16 K 4.0199 8.2101 119.4364 60.3509 32.5252 179.2193 17 Q 4.3503 7.9857 119.9388 56.7268 29.6510 177.4603 18 L 4.3608 7.1537 120.5505 53.9369 40.6933 176.5486 *20 D 4.5786 7.5723 111.9771 53.2477 42.6654 177.6595 21 E 4.0556 8.7537 119.1391 58.4113 28.5628 176.8516 *26 D 4.6928 8.9175 125.7203 54.7873 44.1186 176.2649 27 W 4.2586 8.1184 127.6173 60.4042 30.7601 177.3899 28 Y 3.5626 8.1217 116.3654 61.3282 37.1813 178.0707 29 H 4.0194 7.7436 118.8828 59.5159 30.0619 177.3159 30 I 3.4776 7.3643 120.8845 64.2305 36.7619 178.0845 31 R 3.2269 6.9904 119.8903 59.0144 29.6563 178.6769 32 R 3.8182 7.9173 116.0486 59.2788 29.4808 178.7836 33 V 3.6000 7.6259 119.2657 64.6316 31.4553 178.4264 34 T 3.9412 7.4350 115.7792 66.3397 68.3465 176.9063 35 L 3.9453 7.7850 118.3592 56.1064 41.8762 178.8035 *37 A 4.1679 7.8616 123.4031 52.0955 19.9371 178.9691 38 K 3.9652 7.5947 116.6855 58.4345 31.9837 178.4477 39 A 3.9629 8.4034 120.4072 55.8446 18.3897 179.8409 40 I 3.7862 7.8701 117.2655 64.2685 37.2433 178.6550 41 G 3.7187 8.2953 107.3946 47.7784 0.0000 175.3013 42 E 4.2464 8.0349 119.2374 57.5191 29.7748 178.2897 43 Q 4.0576 7.7861 120.4026 58.5176 29.1559 176.4507 44 E 4.4161 7.6576 117.1878 54.5834 30.3070 176.1155 45 K 3.7823 7.3839 117.1105 57.6626 30.2902 174.4121 46 V 4.2610 7.1889 110.2526 59.2683 34.1212 176.9325 47 D 4.5854 9.7266 121.4802 54.4288 38.8541 176.6340 48 V 3.7884 8.2248 124.7688 65.0370 31.4887 176.3567 49 F 4.7431 8.4077 121.2147 61.0934 39.2479 177.0366 50 V 3.2898 7.9840 118.1523 64.9632 31.0145 178.4996 51 V 3.5163 7.5591 119.5741 64.5335 31.0921 178.3905 52 Q 3.9031 7.6162 117.2753 58.6316 28.4777 178.7805 53 I 3.4743 7.8389 120.7690 64.1872 37.0343 178.0401 54 A 3.9549 8.5644 121.7411 55.2923 17.9784 179.1420 55 A 3.8503 7.9650 118.0522 55.6300 18.4549 179.4566 56 L 3.7457 7.3831 115.6180 57.3545 41.7443 178.9863 57 F 4.7311 7.4518 115.6079 57.5142 39.2944 177.3831 58 H 4.0758 8.2532 115.9396 59.2040 27.9292 176.0824 59 D 4.1434 7.7279 121.2621 56.1695 41.1217 175.6462 60 L 4.2994 6.8416 123.8928 56.3669 39.0429 175.2658 61 I 4.4648 7.6144 124.9772 62.3070 44.7388 174.7340 62 D 4.7470 7.3535 119.8417 51.7552 41.9549 176.2968 *70 E 4.3229 7.8273 124.5099 55.5391 30.6684 178.8766 71 T 3.8306 8.7815 107.6169 65.3694 66.7788 175.5490 72 A 3.9435 7.7704 121.0864 55.0078 18.4262 179.4838 73 K 3.7904 7.9326 117.4697 59.6467 32.3920 178.2906 74 Q 3.9394 8.0893 119.8321 59.5406 28.8876 178.1440 75 Q 4.0367 8.4801 120.6872 59.4041 28.7390 179.1839 76 L 4.0955 7.0913 118.7179 57.7354 42.0722 178.5652 77 I 3.7998 7.6465 117.0591 64.5510 37.9289 177.0851 78 D 4.5735 8.7812 120.1828 56.4274 40.1922 178.1577 79 W 3.8874 7.9908 128.1017 58.7891 31.7782 177.4696 *81 E 4.2985 8.2622 117.9131 55.9422 30.6937 177.1116 82 A 4.1129 7.8561 118.5587 52.6372 18.3671 177.3809 83 A 4.1840 7.1531 115.0743 51.4810 19.9833 178.2105 84 G 3.8329 7.8757 103.9745 45.0001 0.0000 173.9589 85 V 3.7457 7.6005 119.7047 61.7945 31.8708 174.5164 86 P 4.3576 0.0000 0.0000 63.1284 32.6465 176.7990 87 S 4.1251 8.8413 116.3529 62.1450 62.3718 176.9720 88 Q 3.9885 8.0222 119.6957 58.5445 28.7717 178.5666 89 K 4.1436 8.0689 118.7207 59.6805 32.3443 178.8268 90 I 3.5937 8.1985 119.0188 64.4768 37.6814 177.0788 91 D 4.6613 8.4890 117.4838 55.9679 40.8554 176.8812 92 H 4.7911 8.5834 118.4797 57.4993 31.0549 176.1154 93 T 3.7599 7.2027 114.2649 65.4375 67.8728 174.9462 *95 D 4.5232 7.8669 120.5360 53.8933 42.9204 175.9601 96 I 4.0413 7.6027 117.5428 62.5664 38.5156 176.5551 97 I 3.8445 7.9908 120.7188 64.6491 37.0243 176.8637 98 N 4.4311 8.1018 115.9839 56.2804 37.8366 176.5112 99 T 4.2166 8.2458 110.6771 60.4020 66.3604 174.9304 100 I 4.1865 6.9992 121.4486 60.0228 39.2262 174.0241 *111 A 4.4284 8.2529 127.8853 51.3438 20.1268 176.6879 112 T 4.7684 7.1522 109.5269 61.9782 72.9564 175.5709 113 R 3.9534 8.7003 122.5940 59.6685 30.4646 178.4753 114 E 4.0369 8.3621 116.6467 59.4296 29.6902 179.3264 115 A 4.2953 7.5779 119.1675 52.6331 18.0298 179.3682 *117 V 3.9535 7.9599 120.4968 64.5080 33.3198 177.9021 118 V 3.5770 7.5087 118.3502 65.7769 31.1733 177.9557 119 Q 3.9287 8.3032 118.2663 59.0145 28.3750 178.5922 120 D 4.2251 8.0003 118.8765 57.4179 40.8058 178.1913 121 A 3.9745 7.7073 119.7645 55.4780 18.4344 179.0110 122 D 4.2961 7.8335 115.9470 57.4786 41.4414 178.5974 123 R 4.0600 7.9229 116.0966 58.4565 29.3335 177.8709 124 L 4.1435 8.9597 121.7554 56.7616 41.9047 177.0090 125 D 4.4399 7.5317 115.6332 55.1534 41.2104 176.1237 126 A 4.2078 7.8912 121.2347 53.5524 19.3392 177.0555 127 L 4.4443 7.3172 115.0288 53.0966 44.2928 175.8730 128 G 3.9401 8.6366 105.1981 44.5990 0.0000 173.9100 129 A 4.2862 8.9018 119.2506 55.3733 18.2357 179.8252 130 I 3.7387 7.8791 111.2015 64.1801 37.5880 178.4542 131 G 3.6463 7.8687 108.3927 46.8428 0.0000 175.4825 132 I 3.7283 8.1677 122.4909 63.9858 37.1049 178.3484 133 A 4.0371 8.2144 121.7130 55.3974 18.3455 179.6798 134 R 3.7612 8.4020 117.3429 59.7956 29.9217 178.7069 135 T 3.4350 7.6052 115.7765 66.3780 68.5246 176.7593 136 F 4.2523 7.8159 119.0278 60.2116 38.8912 177.8815 137 A 4.0527 8.1258 120.8456 55.5769 18.3716 179.1800 138 Y 4.1663 8.1702 115.1365 61.3578 37.8720 179.3070 139 S 4.2894 8.4501 116.2981 61.6686 62.4638 177.0177 140 G 3.6899 8.1032 107.9060 47.7321 0.0000 175.3183 141 N 4.3746 7.9514 118.6538 56.3776 39.0980 176.9581 142 K 4.1375 8.4115 119.0106 56.9505 32.2459 177.2638 143 G 3.8238 7.6738 106.4237 46.6689 0.0000 173.2723 144 Q 4.7438 7.6957 116.3650 52.6279 31.0214 173.3976 145 P 4.5458 0.0000 0.0000 62.6493 32.1401 177.6994 146 I 3.8170 8.6077 121.5607 64.7080 37.4769 175.4287 147 Y 4.7322 7.6364 117.2881 56.8384 41.5056 173.4374 148 D 3.9858 7.1476 124.8891 52.1101 42.7320 174.0742 149 P 4.0574 0.0000 0.0000 65.2138 31.5598 177.5326 150 E 4.0802 7.8118 117.3010 57.7759 29.7558 176.5798 151 L 4.2063 7.3634 121.6442 53.2967 42.7174 174.7448 152 P 4.3404 0.0000 0.0000 62.8352 31.9264 176.5873 153 I 4.3664 7.9598 121.6038 59.7245 36.7725 176.0824 154 R 4.2531 8.0489 124.2365 55.2540 29.2656 176.1804 *158 T 4.2746 7.8998 108.3321 62.9277 71.2022 175.7113 159 V 3.7242 7.5598 121.0636 64.9363 32.2018 178.0330 160 E 4.2122 8.1063 115.2667 56.8668 29.4382 177.4908 161 E 3.5903 7.0429 117.5759 59.4648 28.2144 176.3050 162 Y 4.7992 8.0855 116.0039 57.9872 39.7279 177.6629 163 R 4.1151 8.0241 119.8195 58.9525 30.6073 174.8171 164 H 4.4889 7.9845 116.7663 56.8150 36.1425 171.9188 165 G 3.8915 8.2534 110.5481 44.9260 0.0000 172.0387 166 K 4.0036 8.4043 124.9348 56.3326 32.0634 176.4668 167 S 4.9105 8.3722 119.9523 56.2898 65.3472 173.0552 168 T 4.7384 7.8838 108.6200 58.8945 72.6257 173.8551 169 A 3.6697 7.8166 124.6346 55.7419 18.5935 179.9552 170 I 3.8563 7.4576 117.6604 64.8286 37.1886 178.4342 171 N 4.4419 8.5231 117.3883 56.6306 38.3708 176.8450 172 H 3.9670 8.4434 119.6106 58.6718 29.7240 177.4073 173 F 3.6639 7.8117 120.0877 60.5201 38.4705 176.8071 174 Y 4.6834 7.5317 113.4028 59.6727 38.0656 176.9121 175 E 4.2961 8.1837 119.5705 57.4903 30.0736 176.1136 176 K 4.2760 7.5552 116.0184 57.9726 34.2067 176.9460 177 L 4.0402 7.6611 117.9584 58.1230 41.6286 179.3100 178 F 4.6476 8.4582 116.4093 59.1805 39.3399 175.8072 179 K 4.8092 7.8238 119.8373 56.6336 32.8115 176.5253 180 L 4.5485 7.7030 119.7261 57.0354 44.1134 179.3332 181 K 3.8715 8.2384 116.6228 59.8560 32.2739 177.8888 182 D 4.4233 8.1471 117.2058 57.4532 41.4986 177.4719 183 L 4.1706 7.2550 117.8655 55.1353 39.4180 176.6172 *185 N 4.7272 7.4651 117.8551 53.4088 41.4852 175.7603 186 T 3.9852 9.2094 115.7419 63.8082 69.7661 175.3824 187 E 3.9654 8.9823 125.2255 60.1340 29.5726 180.0180 188 T 4.0486 7.7909 115.0579 66.0837 68.3367 176.9874 189 G 3.6099 7.9710 108.0636 47.9051 0.0000 175.8308 190 K 3.9998 8.0497 121.2033 58.9802 32.1512 178.6031 191 Q 3.9489 7.8802 119.2980 59.5725 28.9130 178.7493 192 L 3.9727 8.2198 119.2920 57.8131 41.7478 179.4833 193 A 4.0660 8.4775 121.0158 54.7527 18.1653 179.7727 194 K 3.8717 8.0955 118.4278 59.8213 32.2321 178.7962 195 E 4.0255 7.8656 117.5819 58.9043 29.2380 178.8701 196 R 4.1749 8.0217 118.4001 59.4811 30.1607 177.9109 197 H 4.2030 8.1382 116.5647 59.5783 29.9261 177.2261 198 V 3.7187 7.8410 113.8714 64.2644 31.3414 179.0485 199 F 4.4377 7.7237 117.9509 59.1286 39.3177 176.4313 *201 E 4.2291 8.2501 120.5002 55.9043 31.4695 178.0252 202 Q 3.9234 8.6677 119.9804 59.0509 28.9980 178.1996 203 F 3.8473 8.3191 122.2732 61.1827 39.3992 177.3416 204 I 3.7586 7.7671 111.9541 63.4834 37.1741 177.4627 205 E 4.0294 7.9697 121.1780 58.9447 29.6039 178.3398 206 R 3.9162 7.6830 119.6049 58.4533 30.0412 178.3775 207 F 3.8873 8.2013 121.2762 60.8488 39.4079 177.2330 208 L 4.1070 7.8726 120.0152 58.8935 40.2310 179.1959 209 S 4.2296 8.3412 115.6373 61.3633 62.4958 176.4707 210 E 3.8968 7.7686 120.8297 58.6673 29.2196 178.7476 211 W 3.8918 7.8234 127.8650 59.4192 31.2224 177.2051 212 N 5.4696 9.2736 122.1102 52.6783 37.6451 175.4190 213 G 3.7092 8.7218 119.8893 46.6580 0.0000 171.7618 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 2 N 8.42 4.70 0.00 2.66 2.73 0.00 0.00 6.79 6.77 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 3 E 8.13 3.97 0.00 1.80 1.12 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 1.96 2.16 0.00 4 Q 8.41 4.06 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 5 A 8.05 4.46 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 6 I 8.10 3.84 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.32 1.34 0.00 0.00 7 L 7.75 4.21 0.00 2.03 1.84 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.97 3.78 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 9 S 8.52 4.17 0.00 4.61 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 10 A 8.31 3.98 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 11 E 8.94 3.99 0.00 2.13 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 2.65 2.55 0.00 12 A 7.41 4.25 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 13 W 8.06 4.27 0.00 3.34 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.71 3.41 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 0.91 0.00 0.00 0.60 0.00 0.00 15 K 7.52 3.56 0.00 0.98 1.47 0.00 0.95 0.00 0.00 1.25 0.00 0.00 2.57 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.50 0.21 7.81 16 K 8.21 4.02 0.00 2.06 2.02 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.92 7.81 17 Q 7.99 4.35 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.56 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 18 L 7.15 4.36 0.00 1.99 1.72 1.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *20 D 7.57 4.58 0.00 2.94 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 21 E 8.75 4.06 0.00 2.00 1.76 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 2.46 2.44 0.00 *26 D 8.92 4.69 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.12 4.26 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 28 Y 8.12 3.56 0.00 3.11 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 29 H 7.74 4.02 0.00 3.26 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.36 3.48 1.64 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 1.44 0.65 0.62 0.00 0.00 31 R 6.99 3.23 0.00 0.67 1.53 0.00 3.26 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 32 R 7.92 3.82 0.00 1.89 1.98 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 33 V 7.63 3.60 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 0.64 0.00 0.00 0.86 0.00 0.00 34 T 7.43 3.94 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 1.11 0.00 0.00 35 L 7.78 3.95 0.00 1.78 1.65 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *37 A 7.86 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.59 3.97 0.00 1.83 1.91 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.58 1.55 7.81 39 A 8.40 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.87 3.79 1.85 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 1.55 0.67 0.90 0.00 0.00 41 G 8.30 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.03 4.25 0.00 2.22 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 0.00 2.59 2.36 0.00 43 Q 7.79 4.06 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.20 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 44 E 7.66 4.42 0.00 2.09 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 2.44 2.47 0.00 45 K 7.38 3.78 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 V 7.19 4.26 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 0.70 0.00 0.00 0.99 0.00 0.00 47 D 9.73 4.59 0.00 2.79 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 48 V 8.22 3.79 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 1.06 0.00 0.00 1.04 0.00 0.00 49 F 8.41 4.74 0.00 3.07 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.98 3.29 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 0.94 0.00 0.00 0.75 0.00 0.00 51 V 7.56 3.52 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 1.02 0.00 0.00 0.90 0.00 0.00 52 Q 7.62 3.90 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 53 I 7.84 3.47 1.60 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 1.10 0.00 0.00 54 A 8.56 3.95 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 55 A 7.97 3.85 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 56 L 7.38 3.75 0.00 1.03 0.75 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.45 4.73 0.00 2.92 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 58 H 8.25 4.08 0.00 3.20 3.74 0.00 5.75 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 59 D 7.73 4.14 0.00 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0.00 0.00 7.21 6.41 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 75 Q 8.48 4.04 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.85 2.71 0.00 76 L 7.09 4.10 0.00 1.63 1.26 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.65 3.80 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 1.01 0.00 0.00 78 D 8.78 4.57 0.00 3.02 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 79 W 7.99 3.89 0.00 3.38 3.54 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 *81 E 8.26 4.30 0.00 2.24 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 2.31 2.47 0.00 82 A 7.86 4.11 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 83 A 7.15 4.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 146 I 8.61 3.82 2.22 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 1.32 0.00 0.00 147 Y 7.64 4.73 0.00 2.87 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 0.00 148 D 7.15 3.99 0.00 2.51 2.26 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 0.00 149 P 0.00 4.06 0.00 2.20 2.04 0.00 3.50 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 150 E 7.81 4.08 0.00 2.18 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 0.00 2.33 2.24 0.00 151 L 7.36 4.21 0.00 1.75 1.57 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.34 0.00 2.20 2.02 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 153 I 7.96 4.37 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.92 0.00 0.00 154 R 8.05 4.25 0.00 1.89 1.81 0.00 3.19 0.00 0.00 3.24 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 *158 T 7.90 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 1.20 0.00 0.00 159 V 7.56 3.72 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 1.01 0.00 0.00 0.93 0.00 0.00 160 E 8.11 4.21 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 161 E 7.04 3.59 0.00 2.04 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 0.00 2.21 2.38 0.00 162 Y 8.09 4.80 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.12 0.00 1.85 2.11 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 164 H 7.98 4.49 0.00 3.03 3.24 0.00 6.04 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 0.00 165 G 8.25 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 0.00 166 K 8.40 4.00 0.00 1.75 1.79 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.45 7.81 167 S 8.37 4.91 0.00 3.71 3.68 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 0.00 168 T 7.88 4.74 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 169 A 7.82 3.67 1.10 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 0.00 0.00 170 I 7.46 3.86 2.13 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.46 0.94 0.00 0.00 171 N 8.52 4.44 0.00 2.91 2.88 0.00 0.00 6.70 8.66 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 0.00 172 H 8.44 3.97 0.00 3.04 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.81 3.66 0.00 2.79 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 0.00 174 Y 7.53 4.68 0.00 3.04 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 0.00 175 E 8.18 4.30 0.00 1.84 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 2.28 2.42 0.00 176 K 7.56 4.28 0.00 1.31 1.51 0.00 1.60 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.31 7.81 177 L 7.66 4.04 0.00 1.57 1.71 0.59 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.46 4.65 0.00 3.11 3.06 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 0.00 179 K 7.82 4.81 0.00 1.88 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.40 1.37 7.81 180 L 7.70 4.55 0.00 1.76 1.70 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 181 K 8.24 3.87 0.00 1.72 1.92 0.00 1.50 0.00 0.00 1.27 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.68 7.81 182 D 8.15 4.42 0.00 2.67 2.72 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 0.00 0.00 0.00 0.00 183 L 7.25 4.17 0.00 1.81 1.66 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *185 N 7.47 4.73 0.00 2.97 2.86 0.00 0.00 7.24 7.54 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 0.00 186 T 9.21 3.99 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 187 E 8.98 3.97 0.00 1.97 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 2.40 2.35 0.00 188 T 7.79 4.05 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 0.00 189 G 7.97 3.61 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 0.00 0.00 0.00 190 K 8.05 4.00 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.65 7.81 191 Q 7.88 3.95 0.00 2.19 2.31 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 2.36 2.46 0.00 192 L 8.22 3.97 0.00 1.73 1.69 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.48 4.07 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 0.00 194 K 8.10 3.87 0.00 2.01 2.04 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 195 E 7.87 4.03 0.00 2.04 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 2.32 2.35 0.00 196 R 8.02 4.17 0.00 2.12 2.03 0.00 3.40 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 197 H 8.14 4.20 0.00 3.26 3.43 0.00 5.78 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 0.00 198 V 7.84 3.72 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 0.74 0.00 0.00 1.02 0.00 0.00 199 F 7.72 4.44 0.00 3.05 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 *201 E 8.25 4.23 0.00 2.12 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 0.00 1.83 1.84 0.00 202 Q 8.67 3.92 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 203 F 8.32 3.85 0.00 2.63 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 0.00 204 I 7.77 3.76 1.75 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.27 0.00 0.00 205 E 7.97 4.03 0.00 2.13 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 2.29 2.32 0.00 206 R 7.68 3.92 0.00 1.96 1.81 0.00 3.18 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 207 F 8.20 3.89 0.00 2.78 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 0.00 208 L 7.87 4.11 0.00 1.98 1.93 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 209 S 8.34 4.23 0.00 4.05 4.18 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 0.00 210 E 7.77 3.90 0.00 2.00 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 2.24 2.30 0.00 211 W 7.82 3.89 0.00 3.30 3.23 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 0.00 212 N 9.27 5.47 0.00 2.86 2.06 0.00 0.00 6.77 7.59 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 0.00 213 G 8.72 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 * Residues marked with a * may have inaccurate shift predictions.