NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2950 8.2644 123.5830 52.1864 19.4920 176.5011 3 R 4.0352 7.7315 120.5721 56.0167 30.7945 174.2286 4 R 4.2276 8.0853 116.5085 55.9757 32.4373 175.4013 5 R 4.5570 7.5747 120.2696 54.6968 32.5205 177.8704 6 R 4.1349 8.6146 121.3659 55.9834 27.7187 174.3442 7 A 3.7862 7.3660 122.8822 50.1502 19.7193 176.9895 8 E 4.5337 8.4083 120.8197 54.4341 31.4687 176.3295 9 V 3.7240 8.0639 121.1413 62.7354 32.2986 175.7811 10 R 4.0926 8.3783 125.9010 56.0124 30.5450 176.0547 11 Q 4.3140 8.5573 122.4101 54.9658 29.4840 175.5478 12 L 4.5020 8.2058 123.0688 53.3927 43.1225 176.7920 13 Q 4.1944 8.3528 120.6433 54.9847 29.3501 174.8284 14 P 4.4588 0.0000 0.0000 62.2746 32.2968 175.7301 15 D 4.5423 8.2130 118.9313 54.6125 41.5512 177.5804 16 L 4.1959 8.6825 124.5601 56.5191 41.2200 176.6173 17 V 4.1058 7.8532 116.2278 64.2900 34.3207 176.0862 18 Y 3.9635 9.3865 118.0993 58.4666 38.3965 177.9129 19 G 4.4521 7.7407 107.3362 45.2695 0.0000 173.5666 20 D 4.6011 7.7243 120.2002 53.9684 42.1599 177.5562 21 V 3.6888 8.5048 119.4877 64.2758 31.7848 178.2300 22 L 3.9432 8.5884 120.6523 58.5257 41.7054 179.3793 23 V 3.0889 7.7526 117.1918 66.0687 31.5290 177.8001 24 T 3.7202 7.8291 114.7031 66.5986 68.3362 175.7112 25 A 3.9273 8.0688 122.7056 55.5990 18.3344 179.3618 26 F 4.1539 8.2567 118.4756 61.5776 39.3846 177.4023 27 I 3.3376 7.6559 119.5277 64.3423 36.6379 178.1059 28 N 4.3212 8.2207 116.5281 56.3122 38.4004 177.3498 29 K 4.0626 7.6234 118.9924 59.1204 32.1493 179.1896 30 I 3.7007 7.0352 119.7205 63.1590 37.4224 176.6068 31 M 4.1114 7.5687 118.5683 55.9412 32.9659 175.6622 32 R 4.4403 8.3160 118.6164 56.5471 32.1672 174.9091 33 D 4.4363 9.1495 121.4652 55.0738 37.6820 174.5105 34 G 3.9163 8.2111 104.0613 46.5387 0.0000 176.0356 35 K 4.2956 7.2440 120.3219 54.6269 30.7462 177.7782 36 K 4.0509 7.6790 121.0042 58.1553 32.5801 177.3036 37 N 4.5862 7.5226 117.6643 56.0601 38.9016 175.9940 38 L 4.0525 7.9032 120.5092 58.9235 40.3729 178.9635 39 A 3.8825 7.8601 120.7229 55.2348 18.2815 179.4594 40 A 3.7739 7.7906 118.1985 55.2965 18.5400 179.6240 41 R 4.0240 8.6032 116.8722 59.8628 30.2006 178.7929 42 I 3.6459 8.2649 119.3512 64.9757 37.3444 178.1236 43 F 4.1816 7.9883 120.8367 61.3796 39.1322 176.8832 44 Y 4.2733 7.7542 116.5491 61.0727 37.9321 177.6512 45 D 4.4624 8.8403 119.6460 56.8589 40.5732 178.7793 46 A 3.9732 7.7036 121.1867 55.3243 18.1853 179.2060 47 C 4.1041 7.5855 114.8917 62.5430 28.0175 176.6024 48 K 4.0317 7.9822 120.3222 59.5096 31.3684 179.4171 49 I 3.8519 7.7842 119.2859 63.4547 36.7538 177.4798 50 I 4.0429 7.0588 117.8393 61.9430 37.5541 176.9752 51 Q 4.3332 8.1525 118.9831 58.1080 29.1485 175.7123 52 E 4.1448 8.2749 119.9406 57.2920 29.9758 177.6083 53 K 4.0170 7.2141 125.8933 59.1188 33.1639 177.4245 54 T 4.6603 7.8476 114.8850 62.0091 72.2500 173.9536 55 G 3.9556 8.6318 112.8945 45.5810 0.0000 173.8865 56 Q 4.3211 7.6597 118.5568 54.8012 30.0082 176.1968 57 E 4.1440 8.5973 120.1632 55.7830 31.2266 176.2011 58 P 4.2105 0.0000 0.0000 66.2440 31.1781 178.6017 59 L 3.8640 7.9351 120.1431 56.6267 41.8641 178.7019 60 K 4.0889 7.8483 117.9591 59.0576 32.2337 179.0671 61 V 3.5553 7.6634 118.1480 66.6911 31.5350 176.8962 62 F 4.0192 8.5512 119.2368 60.7058 38.6266 177.3472 63 K 3.9327 7.8620 120.3411 59.4636 32.7018 178.1425 64 Q 3.9833 8.0414 119.4609 59.3244 28.9254 177.7248 65 A 3.9235 8.1609 121.6676 55.6679 18.2272 179.4319 66 V 3.2219 7.4128 115.5789 66.3521 31.2330 177.8806 67 E 3.9688 7.9220 117.1872 58.1722 29.6082 177.3540 68 N 4.6764 8.4394 114.7867 53.5892 39.1382 175.3908 69 V 4.1985 7.2033 119.0812 62.6161 32.8082 175.5729 70 K 4.1841 7.9334 118.5330 55.7644 31.3267 174.7188 71 P 4.6388 0.0000 0.0000 62.7313 31.6283 176.7759 72 R 4.2752 8.6162 118.9067 57.1613 30.1785 176.3681 73 M 5.0190 7.6767 118.6378 54.1931 35.8948 173.7904 74 E 4.9629 8.9963 120.9252 54.4242 33.9040 174.6359 75 V 4.8125 8.2941 119.2178 59.9962 33.8460 175.1637 76 R 4.5582 8.5052 122.3584 54.0755 33.2913 175.0649 77 S 4.7638 8.7056 118.5402 58.5185 63.7737 173.2805 78 R 4.9197 8.8843 126.0386 54.9016 33.4626 174.1169 79 R 4.4787 8.7511 125.8991 56.1432 30.8884 177.6355 80 V 4.1466 8.2488 123.0280 62.5378 32.0825 174.3204 81 G 3.8492 9.1640 110.1790 45.7727 0.0000 170.5108 82 G 3.6524 9.3340 107.4302 46.0310 0.0000 171.3051 83 A 4.0950 7.3348 116.6361 50.6707 22.7025 176.1648 84 N 5.0129 8.7251 120.4243 51.9239 40.1236 173.4224 85 Y 4.8848 8.3315 122.0425 56.0439 40.7588 175.6879 86 Q 4.2391 8.6266 123.4711 55.8841 28.7730 175.2558 87 V 4.2409 9.1348 126.3380 60.6672 32.6493 173.6008 88 P 4.9500 0.0000 0.0000 63.3894 32.2539 175.4562 89 M 4.4600 8.8248 116.1415 54.2643 34.5792 173.9545 90 E 4.2517 8.9756 120.3516 57.0514 30.8229 176.7254 91 V 4.3899 8.0518 120.5527 60.7486 33.8132 175.4395 92 S 4.2112 8.8559 122.8970 58.0756 63.3259 173.5341 93 P 4.5078 0.0000 0.0000 65.7339 30.7679 178.2690 94 R 3.8519 7.9654 117.6973 59.4923 29.9298 178.2664 95 R 3.7936 7.9867 117.6703 59.3590 29.6975 178.2637 96 Q 3.7086 8.5812 119.7208 58.8842 28.7974 178.1415 97 Q 3.8348 7.5549 120.1067 58.1734 29.4200 177.6123 98 S 3.9880 7.6506 115.9718 61.6676 62.8789 176.5762 99 L 3.1858 8.1962 121.6223 57.8477 41.1857 179.0090 100 A 3.9025 7.1130 120.1063 54.7887 18.2416 179.2168 101 L 4.0205 8.0018 115.9290 57.9954 41.9802 179.7743 102 R 3.8710 8.0009 118.2824 59.5284 29.9550 178.3859 103 W 4.4825 8.1491 118.3802 59.8095 29.0114 178.1931 104 L 4.0912 8.6131 119.3355 58.3042 41.2173 180.0155 105 V 3.6729 8.0563 117.7038 65.9203 31.1603 178.1242 106 Q 4.0194 8.1441 117.1043 58.8956 28.8507 178.2974 107 A 4.1184 8.6972 121.8866 54.9957 18.6195 179.1276 108 A 4.0671 8.6814 119.9040 55.7273 18.1836 178.8834 109 N 4.6758 7.9788 110.9085 54.0342 38.6502 176.5769 110 Q 4.3212 8.4771 121.8214 56.8328 29.6588 176.5369 111 R 4.1115 6.8081 116.8879 55.8210 30.8647 175.1598 112 P 4.2835 0.0000 0.0000 66.3590 31.5527 176.5337 113 E 3.7597 7.6383 120.3824 54.5615 28.8509 177.8330 114 R 3.5832 8.7280 124.4592 58.7428 30.5707 177.7005 115 R 4.3009 7.6425 117.5545 55.2916 31.1523 176.3822 116 A 3.8195 8.7229 125.7285 55.6489 18.4237 178.6049 117 A 3.9637 8.0631 117.1870 55.3850 18.4463 179.7834 118 V 3.4418 7.7651 115.7961 66.2251 31.5462 178.1029 119 R 3.9260 7.8838 117.6293 59.6489 29.9718 179.2192 120 I 3.9072 7.8137 118.6167 64.0023 37.0521 178.4545 121 A 3.9875 8.0335 121.8914 55.6446 18.3024 179.3219 122 H 4.2840 8.8316 114.8877 59.1399 28.7773 177.7732 123 E 4.0227 8.5843 121.1684 58.9283 29.3441 178.9999 124 L 3.9573 7.9935 119.2472 58.2380 41.8222 178.7570 125 M 4.0149 8.5419 118.7922 58.9082 32.0051 178.3852 126 D 4.4314 8.9167 118.7969 57.5374 40.8762 179.4768 127 A 4.0413 7.9458 120.8744 55.2229 18.3808 179.5599 128 A 4.0537 8.1045 117.4770 54.5329 18.4221 179.3326 129 E 4.1118 7.8298 117.3187 59.8175 29.7253 177.4728 130 G 3.9360 7.1761 103.8615 45.0593 0.0000 173.3481 131 K 4.6811 7.9511 120.1699 55.1198 35.2720 174.7344 132 G 3.9782 8.8785 106.9696 46.5901 0.0000 174.5249 133 G 3.8108 8.8922 109.6568 47.9086 0.0000 175.6985 134 A 3.9595 8.2609 122.6568 55.2709 18.5160 180.0051 135 V 3.6198 7.8961 116.6005 65.7303 31.3955 177.8467 136 K 3.7872 7.8817 119.3253 59.1342 32.0830 178.3016 137 K 3.5338 7.7458 118.5614 59.5486 32.0589 178.8291 138 K 3.7973 7.3872 118.7847 59.6577 31.9672 178.4672 139 E 4.0482 7.9435 118.4977 59.0637 29.3194 178.6568 140 D 4.3217 8.4287 119.2650 57.7729 41.0535 178.4625 141 V 3.6001 8.1735 119.2877 65.4781 29.9396 177.4934 142 E 4.0769 8.4688 117.9579 59.9245 29.2978 180.1746 143 R 4.0395 8.1755 117.4173 59.3866 30.2127 178.3881 144 M 4.1364 7.9888 117.4139 57.6983 32.2840 177.1618 145 A 4.1215 6.8965 118.8201 51.8928 19.6232 176.1042 146 E 3.7004 8.4997 117.0795 56.6363 27.7242 174.0234 147 A 4.4746 7.4352 118.2528 52.7998 23.1130 177.1207 148 N 5.1641 7.6618 111.7012 52.8501 40.7882 176.1828 149 R 3.9330 8.3212 120.1789 58.9502 30.6068 177.6741 150 A 4.0180 8.2053 120.6654 55.7413 18.3228 179.2209 151 Y 3.6417 7.8129 111.0732 58.4366 37.3728 176.6932 152 A 4.3585 7.9203 123.6892 53.3201 19.2604 179.4999 153 H 4.5826 8.1447 109.9654 56.8465 29.3838 175.5381 154 Y 4.8535 7.3082 119.5107 59.4067 36.7988 176.4441 155 R 3.9199 7.6688 121.5905 58.2654 31.1994 176.9436 156 W 3.8320 8.2642 130.6138 57.7830 31.5058 173.3756 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 A 8.26 4.29 1.29 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 0.00 0.00 0.00 3 R 7.73 4.04 0.00 1.86 1.95 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 4 R 8.09 4.23 0.00 1.83 1.77 0.00 3.24 0.00 0.00 3.22 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 5 R 7.57 4.56 0.00 1.79 1.84 0.00 3.21 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 6 R 8.61 4.13 0.00 1.77 1.88 0.00 3.28 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 7 A 7.37 3.79 1.25 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 0.00 0.00 8 E 8.41 4.53 0.00 2.06 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 2.21 2.34 0.00 9 V 8.06 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 0.81 0.00 0.00 0.93 0.00 0.00 10 R 8.38 4.09 0.00 1.84 1.85 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 11 Q 8.56 4.31 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 12 L 8.21 4.50 0.00 1.61 1.59 0.95 0.99 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 13 Q 8.35 4.19 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 14 P 0.00 4.46 0.00 2.24 2.08 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 15 D 8.21 4.54 0.00 3.10 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 16 L 8.68 4.20 0.00 1.77 1.74 0.96 0.93 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 17 V 7.85 4.11 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 0.27 0.00 0.00 0.58 0.00 0.00 18 Y 9.39 3.96 0.00 3.23 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 19 G 7.74 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 0.00 0.00 0.00 0.00 20 D 7.72 4.60 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.50 3.69 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 0.80 0.00 0.00 0.96 0.00 0.00 22 L 8.59 3.94 0.00 1.75 2.04 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.75 3.09 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 0.80 0.00 0.00 0.68 0.00 0.00 24 T 7.83 3.72 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 1.23 0.00 0.00 25 A 8.07 3.93 1.44 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 0.00 0.00 0.00 26 F 8.26 4.15 0.00 3.29 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 27 I 7.66 3.34 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.27 0.78 0.00 0.00 28 N 8.22 4.32 0.00 2.78 2.83 0.00 0.00 7.12 7.58 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 29 K 7.62 4.06 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 30 I 7.04 3.70 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.17 0.80 0.00 0.00 31 M 7.57 4.11 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 32 R 8.32 4.44 0.00 1.96 1.94 0.00 3.08 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 33 D 9.15 4.44 0.00 2.86 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 34 G 8.21 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 0.00 0.00 0.00 35 K 7.24 4.30 0.00 1.94 1.77 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.62 7.81 36 K 7.68 4.05 0.00 1.77 1.80 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.40 7.81 37 N 7.52 4.59 0.00 2.85 2.69 0.00 0.00 6.93 6.66 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 38 L 7.90 4.05 0.00 1.96 1.94 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.86 3.88 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 40 A 7.79 3.77 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.60 4.02 0.00 1.94 2.08 0.00 3.20 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 42 I 8.26 3.65 2.09 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 1.42 0.83 0.97 0.00 0.00 43 F 7.99 4.18 0.00 2.94 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 44 Y 7.75 4.27 0.00 3.32 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.84 4.46 0.00 2.78 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 46 A 7.70 3.97 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 47 C 7.59 4.10 0.00 3.12 2.98 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 0.00 0.00 0.00 48 K 7.98 4.03 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 49 I 7.78 3.85 1.99 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 1.52 1.07 0.92 0.00 0.00 50 I 7.06 4.04 1.98 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 1.55 0.78 0.93 0.00 0.00 51 Q 8.15 4.33 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.96 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 52 E 8.27 4.14 0.00 2.04 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 2.37 2.51 0.00 53 K 7.21 4.02 0.00 1.61 1.91 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.46 7.81 54 T 7.85 4.66 4.50 0.00 0.00 0.00 0.00 0.00 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 55 G 8.63 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.66 4.32 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 57 E 8.60 4.14 0.00 2.05 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 2.45 2.41 0.00 58 P 0.00 4.21 0.00 2.26 2.36 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 59 L 7.94 3.86 0.00 1.36 1.74 0.54 0.65 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 60 K 7.85 4.09 0.00 2.04 1.85 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.52 7.81 61 V 7.66 3.56 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 1.11 0.00 0.00 1.03 0.00 0.00 62 F 8.55 4.02 0.00 3.12 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 63 K 7.86 3.93 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.69 7.81 64 Q 8.04 3.98 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 65 A 8.16 3.92 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 66 V 7.41 3.22 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 0.76 0.00 0.00 -0.05 0.00 0.00 67 E 7.92 3.97 0.00 2.10 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 2.28 2.35 0.00 68 N 8.44 4.68 0.00 2.77 2.83 0.00 0.00 6.78 8.34 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 69 V 7.20 4.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.00 0.00 0.00 70 K 7.93 4.18 0.00 1.77 1.74 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.58 1.63 7.81 71 P 0.00 4.64 0.00 2.31 2.43 0.00 3.65 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 72 R 8.62 4.28 0.00 1.98 2.09 0.00 3.06 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 73 M 7.68 5.02 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 74 E 9.00 4.96 0.00 2.02 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 0.00 2.11 2.15 0.00 75 V 8.29 4.81 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 0.76 0.00 0.00 0.91 0.00 0.00 76 R 8.51 4.56 0.00 1.05 1.22 0.00 2.60 0.00 0.00 2.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.00 77 S 8.71 4.76 0.00 3.91 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 78 R 8.88 4.92 0.00 2.62 2.04 0.00 3.74 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 79 R 8.75 4.48 0.00 1.71 1.79 0.00 3.33 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 80 V 8.25 4.15 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 0.59 0.00 0.00 0.81 0.00 0.00 81 G 9.16 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 0.00 0.00 0.00 82 G 9.33 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.33 4.10 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.73 5.01 0.00 2.58 2.78 0.00 0.00 6.91 7.46 0.00 0.00 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 Y 8.33 4.88 0.00 3.18 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 86 Q 8.63 4.24 0.00 1.77 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 87 V 9.13 4.24 2.19 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 1.30 0.00 0.00 1.38 0.00 0.00 88 P 0.00 4.95 0.00 2.10 2.02 0.00 3.88 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 1.99 1.98 0.00 89 M 8.82 4.46 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 90 E 8.98 4.25 0.00 1.86 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 2.32 2.35 0.00 91 V 8.05 4.39 2.19 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 0.78 0.00 0.00 0.92 0.00 0.00 92 S 8.86 4.21 0.00 4.02 3.99 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 93 P 0.00 4.51 0.00 2.26 2.35 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 94 R 7.97 3.85 0.00 1.92 1.92 0.00 3.20 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 95 R 7.99 3.79 0.00 1.88 1.84 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 96 Q 8.58 3.71 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 97 Q 7.55 3.83 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 98 S 7.65 3.99 0.00 3.93 3.79 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 99 L 8.20 3.19 0.00 1.17 0.13 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.11 3.90 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 0.00 101 L 8.00 4.02 0.00 1.74 1.95 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.00 3.87 0.00 1.84 1.88 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 103 W 8.15 4.48 0.00 3.63 3.09 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 0.00 104 L 8.61 4.09 0.00 2.04 2.01 0.78 0.89 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 0.00 105 V 8.06 3.67 2.20 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 0.96 0.00 0.00 0.79 0.00 0.00 106 Q 8.14 4.02 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 107 A 8.70 4.12 1.44 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 0.00 0.00 0.00 108 A 8.68 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.98 4.68 0.00 2.74 2.87 0.00 0.00 7.09 7.26 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 0.00 110 Q 8.48 4.32 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.86 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 111 R 6.81 4.11 0.00 2.07 2.22 0.00 3.30 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 112 P 0.00 4.28 0.00 2.19 2.18 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 113 E 7.64 3.76 0.00 2.15 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 0.00 2.38 2.34 0.00 114 R 8.73 3.58 0.00 1.82 2.06 0.00 3.20 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 115 R 7.64 4.30 0.00 1.79 1.86 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 116 A 8.72 3.82 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.06 3.96 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 0.00 118 V 7.77 3.44 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 119 R 7.88 3.93 0.00 2.15 2.23 0.00 3.37 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 120 I 7.81 3.91 2.03 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 1.60 0.65 1.43 0.00 0.00 121 A 8.03 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.83 4.28 0.00 3.17 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.58 4.02 0.00 2.25 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 0.00 2.66 2.48 0.00 124 L 7.99 3.96 0.00 2.08 1.75 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.54 4.01 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.63 0.00 126 D 8.92 4.43 0.00 2.97 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 0.00 127 A 7.95 4.04 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 0.00 128 A 8.10 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.83 4.11 0.00 2.13 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 2.52 2.46 0.00 130 G 7.18 3.94 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 0.00 0.00 0.00 131 K 7.95 4.68 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.37 1.42 7.81 132 G 8.88 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.89 3.81 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 0.00 0.00 0.00 134 A 8.26 3.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.90 3.62 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 1.03 0.00 0.00 0.98 0.00 0.00 136 K 7.88 3.79 0.00 1.80 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.53 7.81 137 K 7.75 3.53 0.00 1.15 0.74 0.00 1.27 0.00 0.00 0.99 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 1.36 7.81 138 K 7.39 3.80 0.00 2.04 2.05 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.28 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.63 1.80 7.81 139 E 7.94 4.05 0.00 2.13 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 2.30 2.59 0.00 140 D 8.43 4.32 0.00 2.53 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 0.00 141 V 8.17 3.60 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 1.26 0.00 0.00 0.91 0.00 0.00 142 E 8.47 4.08 0.00 2.08 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 0.00 2.52 2.69 0.00 143 R 8.18 4.04 0.00 1.87 1.97 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 144 M 7.99 4.14 0.00 1.93 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 145 A 6.90 4.12 1.25 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 0.00 0.00 146 E 8.50 3.70 0.00 2.04 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 2.20 2.22 0.00 147 A 7.44 4.47 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 0.00 148 N 7.66 5.16 0.00 2.69 2.82 0.00 0.00 6.73 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.32 3.93 0.00 1.76 1.96 0.00 3.23 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 150 A 8.21 4.02 0.98 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 0.00 0.00 0.00 0.00 0.00 151 Y 7.81 3.64 0.00 2.76 2.59 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 0.00 152 A 7.92 4.36 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 0.00 153 H 8.14 4.58 0.00 3.37 3.39 0.00 5.52 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.31 4.85 0.00 3.12 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 0.00 155 R 7.67 3.92 0.00 1.93 2.09 0.00 3.52 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 156 W 8.26 3.83 0.00 3.81 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00