NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3158 8.2993 121.8071 56.5944 33.6346 177.1620 5 T 4.1264 8.3244 110.0356 58.3641 69.2331 175.8904 6 Y 4.7665 8.4758 132.1536 57.8517 38.6808 181.5504 7 E 4.5366 9.1419 115.6001 55.5769 30.6060 175.2497 8 I 4.0132 8.0109 119.7638 59.0939 41.4219 175.2830 9 S 4.6323 8.6979 123.8691 57.0881 65.8832 175.1070 10 S 4.3537 8.6719 115.4770 61.9206 61.8988 176.0491 11 A 4.4733 8.0344 122.6399 55.0448 18.2054 179.2683 12 E 3.7588 7.9067 117.5555 59.3207 29.3811 179.4131 13 W 4.3420 8.1557 118.9905 59.7633 28.5863 178.2001 14 E 4.0402 7.9755 118.4392 59.0806 29.0994 179.0254 15 V 3.5454 7.5610 118.3966 66.3312 31.5627 177.8934 16 M 3.4142 8.2559 118.7115 58.3060 31.4918 178.5667 17 N 4.7997 8.4696 116.6281 56.2862 38.5835 177.6683 18 I 3.8212 7.3739 120.7451 64.2742 37.1950 178.2693 19 I 3.6655 7.5096 120.6241 64.4297 36.7408 178.6185 20 W 4.3948 7.9724 118.3999 59.9006 28.9146 178.0173 21 M 4.2917 7.9328 117.8264 58.1739 31.8866 177.7316 22 K 4.2258 8.2867 116.3279 55.9413 32.6635 177.5206 23 K 4.2159 8.3970 123.6873 56.7921 31.1064 175.4491 24 Y 5.2422 7.7357 113.0600 56.1611 41.0785 174.7468 25 A 4.9121 9.1099 124.8256 50.3917 23.3287 176.1218 26 S 5.0995 9.5289 116.9104 57.3846 64.6933 175.3944 27 A 3.9606 9.0909 121.2273 55.7508 18.0535 179.6411 28 N 4.3017 8.2446 114.1238 56.2785 38.5800 177.3585 29 N 4.3449 8.1592 117.8534 56.5378 38.7035 177.4249 30 I 3.7431 7.7723 121.0988 64.3713 37.1225 178.6283 31 I 3.7107 8.0777 120.9275 64.2426 36.7399 177.8869 32 E 3.8912 7.9599 118.7611 59.4684 29.7970 178.5497 33 E 4.0862 8.1814 118.2838 59.5783 29.6753 179.1664 34 I 3.6077 7.8332 119.8529 64.6674 37.0099 177.9016 35 Q 4.7917 7.6395 117.3217 56.9973 28.7811 177.7673 36 M 4.2012 7.7326 119.9993 57.4189 32.0813 176.8234 37 Q 4.5239 7.7840 113.9749 55.1468 31.1796 175.3778 38 K 4.2171 7.6425 117.5341 54.5456 35.8826 176.3970 39 D 5.0319 8.2486 123.5758 53.6176 40.5527 176.5690 40 W 5.0740 7.5113 118.4484 55.3321 31.4512 177.8742 41 S 4.5212 8.4486 117.1878 57.3805 64.8571 173.5706 42 P 4.2834 0.0000 0.0000 65.6121 31.0395 178.9214 43 K 3.8954 7.9833 117.8092 59.9544 32.1500 178.5935 44 T 3.7839 7.6840 115.4684 66.9245 68.3028 176.5483 45 I 3.8313 7.5996 120.9341 64.3923 37.2775 178.6992 46 R 3.9471 8.4402 119.2387 59.3479 29.8001 179.2518 47 T 3.9445 7.9362 115.8557 66.1925 68.4316 176.8668 48 L 3.8553 7.4711 121.2051 57.8354 41.5641 179.6249 49 I 3.4305 7.5938 119.6245 64.4310 36.8612 178.6356 50 T 3.8906 7.7088 116.4656 66.6182 68.3299 176.6029 51 R 3.8179 7.8459 120.4477 59.5934 30.0920 178.5924 52 L 3.8882 7.7164 118.6542 57.5673 41.5679 178.9238 53 Y 4.5229 8.1059 121.0810 60.3774 38.6206 178.3374 54 K 3.7445 8.0691 118.2024 59.2134 32.2103 179.0692 55 K 4.3356 8.3487 117.6474 57.4500 32.1603 178.0633 56 G 4.0054 7.6945 106.7660 44.9632 0.0000 174.4100 57 F 4.2277 8.7670 120.3877 59.4907 39.6641 175.3554 58 I 5.0124 7.7326 110.2057 59.5431 41.7026 174.0475 59 D 5.2804 8.2465 121.6294 54.3628 44.7538 173.5864 60 R 5.4922 7.7382 110.4434 56.4778 32.3043 174.5109 61 K 4.6573 8.7722 120.7399 54.8296 35.6139 175.1474 62 K 4.7333 8.4330 124.1443 54.9475 31.4384 173.1442 63 D 4.4799 7.9943 122.6815 53.9648 43.1653 174.4743 64 N 4.5364 8.5070 124.3131 54.7474 36.9234 174.3105 65 K 4.3270 8.5459 115.7081 55.7618 32.3361 174.9903 66 I 4.3774 7.0361 117.9942 58.6875 38.6926 175.7717 67 F 4.7011 8.6475 126.4505 57.6602 40.3797 174.2406 68 Q 4.7903 9.3413 122.5385 54.4368 31.6080 174.3551 69 Y 5.6031 9.4381 122.8539 56.6463 40.0239 174.4110 70 Y 5.2459 7.8990 119.1633 55.2375 41.9908 174.0763 71 S 4.6788 8.8013 115.4679 58.6244 63.1152 173.6594 72 L 4.7558 8.8258 124.7400 54.4767 42.6571 176.3596 73 V 4.3337 7.7030 119.5368 60.6814 33.5054 175.5999 74 E 4.1001 8.6706 126.6733 55.9858 30.2793 177.1840 75 E 2.7417 8.5587 125.3962 59.2028 29.5048 179.1051 76 S 4.0472 7.4553 113.8429 61.2158 63.0426 175.9739 77 D 4.3214 7.8872 121.2599 57.2973 41.1429 177.8934 78 I 3.9748 7.8253 118.9576 63.7117 37.9242 178.0767 79 K 4.1073 8.2499 119.8238 59.4674 31.9108 178.6266 80 Y 4.0587 8.0697 119.8790 60.4799 38.7320 178.0465 81 K 3.6635 8.1526 120.4199 59.7447 32.3042 178.5727 82 T 4.0217 8.1195 116.0539 67.2274 68.5102 176.5764 83 S 4.1491 8.4121 116.9510 61.5736 62.7372 177.0980 84 K 3.9538 7.7519 121.2311 59.2610 31.7992 179.1466 85 N 4.3604 8.3113 116.8640 56.1469 38.4137 177.0989 86 F 4.1037 8.5399 122.1924 61.6143 39.5613 177.3416 87 I 3.8785 8.1512 119.2850 64.4472 36.6278 178.2775 88 N 4.4781 8.0519 116.8335 55.9385 38.4209 177.1882 89 K 4.0049 7.9570 120.3313 59.2080 32.4215 178.4285 90 V 3.6981 7.3782 116.5736 64.0892 32.4906 176.5489 91 Y 4.6247 7.7636 116.2020 58.1661 38.3698 176.2252 92 K 3.7962 9.3446 114.3888 57.3848 30.0270 176.0417 93 G 3.8068 8.6343 103.9032 46.4413 0.0000 174.8384 94 G 4.0154 7.9553 106.5362 42.1103 0.0000 173.5836 95 F 4.2110 8.9685 130.0557 61.2849 39.2424 176.7579 96 N 4.1441 8.0875 115.5110 56.1205 38.4742 177.2390 97 S 4.0706 7.9680 116.1565 61.4345 62.9281 176.4232 98 L 2.6671 6.9435 122.7211 57.8137 41.8187 179.3126 99 V 3.4052 7.1371 118.1283 65.5794 31.2573 177.7208 100 L 3.9156 7.8766 120.3055 57.9804 41.6953 178.4558 101 N 4.3109 7.9487 115.9366 56.7256 39.1766 176.3503 102 F 4.1102 8.1963 121.9568 61.2537 39.0555 176.8689 103 V 3.6204 8.1185 118.0574 66.2823 31.0962 177.8481 104 E 4.0833 8.3964 115.5264 58.2672 29.3245 177.3153 105 K 4.2639 7.2595 118.6281 57.0774 34.2985 175.9018 106 E 4.0960 8.2688 118.6601 55.4882 30.6409 176.2059 107 D 4.6354 8.0712 125.2889 52.4597 39.7562 175.7594 108 L 4.2502 7.5638 120.9572 54.5088 42.8314 178.4887 109 S 4.4386 8.4419 118.2502 57.9143 65.2727 175.3051 110 Q 3.9424 8.5386 122.7788 59.4429 28.7294 178.1709 111 D 4.3913 8.0239 119.6336 57.1705 40.9286 178.4541 112 E 3.9470 7.9200 118.4308 59.5075 29.6404 179.0388 113 I 3.7166 7.9715 120.1627 64.7920 37.2156 178.3169 114 E 3.9544 8.1884 118.9713 59.2128 29.4715 178.6197 115 E 3.9086 8.2722 119.4831 59.6999 29.5600 179.1456 116 L 4.0662 8.0354 118.5809 57.5214 41.6269 179.7447 117 R 3.8870 7.8541 118.0389 59.5179 29.8898 178.7014 118 N 4.3375 8.4127 114.9388 56.4271 38.5007 177.2278 119 I 3.9397 7.3287 120.2093 64.0404 37.7018 178.1022 120 L 4.1520 7.7165 119.4069 57.9080 41.4257 179.0590 121 N 4.5126 7.9013 113.1002 54.5928 38.8407 175.7513 122 K 4.4482 7.8047 119.6918 56.5888 33.5310 176.5426 123 K 4.1523 8.1477 123.5665 57.0987 32.2702 175.5103 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 4 K 8.30 4.32 0.00 1.79 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 5 T 8.32 4.13 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 1.13 0.00 0.00 6 Y 8.48 4.77 0.00 3.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.14 4.54 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 8 I 8.01 4.01 1.30 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.12 0.68 0.00 0.00 9 S 8.70 4.63 0.00 4.06 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 10 S 8.67 4.35 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.03 4.47 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.91 3.76 0.00 1.83 1.55 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 2.07 2.15 0.00 13 W 8.16 4.34 0.00 3.72 3.31 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 14 E 7.98 4.04 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 15 V 7.56 3.55 1.94 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 0.79 0.00 0.00 0.91 0.00 0.00 16 M 8.26 3.41 0.00 0.51 1.60 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.40 0.00 17 N 8.47 4.80 0.00 3.00 3.05 0.00 0.00 7.04 7.24 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 18 I 7.37 3.82 2.00 0.00 0.00 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 1.54 0.72 0.92 0.00 0.00 19 I 7.51 3.67 1.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.81 0.00 0.00 20 W 7.97 4.39 0.00 3.56 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.93 4.29 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 22 K 8.29 4.23 0.00 1.97 2.06 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 23 K 8.40 4.22 0.00 1.90 1.83 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.40 7.81 24 Y 7.74 5.24 0.00 2.87 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 25 A 9.11 4.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.53 5.10 0.00 4.04 4.12 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 27 A 9.09 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.30 0.00 2.78 2.91 0.00 0.00 7.03 6.92 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 29 N 8.16 4.34 0.00 3.01 2.90 0.00 0.00 6.92 7.32 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 30 I 7.77 3.74 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.88 0.00 0.00 31 I 8.08 3.71 2.04 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 1.44 0.74 0.97 0.00 0.00 32 E 7.96 3.89 0.00 2.04 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 0.00 2.33 2.36 0.00 33 E 8.18 4.09 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 34 I 7.83 3.61 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.92 0.00 0.00 35 Q 7.64 4.79 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 36 M 7.73 4.20 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.93 0.00 37 Q 7.78 4.52 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 38 K 7.64 4.22 0.00 0.87 0.74 0.00 0.77 0.00 0.00 1.18 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.73 0.21 7.81 39 D 8.25 5.03 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.51 5.07 0.00 3.37 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 41 S 8.45 4.52 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.28 0.00 2.20 2.17 0.00 3.63 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 2.13 2.17 0.00 43 K 7.98 3.90 0.00 1.82 1.79 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 44 T 7.68 3.78 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 0.77 0.00 0.00 45 I 7.60 3.83 2.03 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 1.78 0.87 0.94 0.00 0.00 46 R 8.44 3.95 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 47 T 7.94 3.94 4.36 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 1.13 0.00 0.00 48 L 7.47 3.86 0.00 1.71 1.59 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.59 3.43 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.37 -0.05 0.00 0.00 50 T 7.71 3.89 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 1.24 0.00 0.00 51 R 7.85 3.82 0.00 2.01 1.77 0.00 3.05 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 52 L 7.72 3.89 0.00 1.74 1.56 0.63 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.11 4.52 0.00 3.07 3.21 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 0.00 0.00 0.00 0.00 54 K 8.07 3.74 0.00 1.83 1.79 0.00 1.65 0.00 0.00 1.41 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.59 7.81 55 K 8.35 4.34 0.00 1.79 2.02 0.00 1.34 0.00 0.00 1.15 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.42 7.81 56 G 7.69 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 57 F 8.77 4.23 0.00 3.04 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 58 I 7.73 5.01 1.93 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.08 0.79 0.00 0.00 59 D 8.25 5.28 0.00 2.45 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.74 5.49 0.00 1.11 0.66 0.00 2.21 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 61 K 8.77 4.66 0.00 1.69 1.73 0.00 1.23 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.57 7.81 62 K 8.43 4.73 0.00 1.75 1.63 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.65 7.81 63 D 7.99 4.48 0.00 2.62 2.46 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 64 N 8.51 4.54 0.00 2.85 2.52 0.00 0.00 7.03 6.68 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 65 K 8.55 4.33 0.00 1.63 1.65 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.22 1.28 7.81 66 I 7.04 4.38 2.00 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 0.70 0.94 0.00 0.00 67 F 8.65 4.70 0.00 2.92 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.34 4.79 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 69 Y 9.44 5.60 0.00 3.07 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 70 Y 7.90 5.25 0.00 2.71 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 71 S 8.80 4.68 0.00 3.81 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 72 L 8.83 4.76 0.00 1.73 1.65 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.70 4.33 2.27 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 0.98 0.00 0.00 0.65 0.00 0.00 74 E 8.67 4.10 0.00 2.03 1.85 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 2.40 2.29 0.00 75 E 8.56 2.74 0.00 1.16 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 1.76 1.47 0.00 76 S 7.46 4.05 0.00 3.90 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 77 D 7.89 4.32 0.00 2.74 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.83 3.97 2.02 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.40 1.30 0.00 0.00 79 K 8.25 4.11 0.00 1.91 1.77 0.00 1.53 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 80 Y 8.07 4.06 0.00 3.05 3.05 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 0.00 0.00 0.00 0.00 81 K 8.15 3.66 0.00 2.19 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 82 T 8.12 4.02 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 83 S 8.41 4.15 0.00 3.89 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 84 K 7.75 3.95 0.00 1.72 1.70 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.10 0.47 7.81 85 N 8.31 4.36 0.00 3.01 2.94 0.00 0.00 6.64 7.69 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 86 F 8.54 4.10 0.00 3.22 3.29 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 87 I 8.15 3.88 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.16 1.02 0.00 0.00 88 N 8.05 4.48 0.00 2.87 2.88 0.00 0.00 6.99 7.77 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 89 K 7.96 4.00 0.00 1.79 1.89 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 90 V 7.38 3.70 1.48 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 -0.06 0.00 0.00 0.38 0.00 0.00 91 Y 7.76 4.62 0.00 3.17 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 92 K 9.34 3.80 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.41 7.81 93 G 8.63 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 94 G 7.96 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 0.00 0.00 0.00 95 F 8.97 4.21 0.00 3.07 3.11 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 96 N 8.09 4.14 0.00 2.83 2.80 0.00 0.00 7.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.97 4.07 0.00 4.05 4.03 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 98 L 6.94 2.67 0.00 1.01 1.31 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.14 3.41 1.71 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 0.79 0.00 0.00 0.05 0.00 0.00 100 L 7.88 3.92 0.00 1.85 1.76 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 N 7.95 4.31 0.00 3.02 3.12 0.00 0.00 7.22 6.36 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 0.00 102 F 8.20 4.11 0.00 3.19 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 0.00 103 V 8.12 3.62 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 1.01 0.00 0.00 1.03 0.00 0.00 104 E 8.40 4.08 0.00 2.14 2.27 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 2.47 2.31 0.00 105 K 7.26 4.26 0.00 1.84 1.65 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.31 7.81 106 E 8.27 4.10 0.00 1.20 1.56 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 2.21 2.07 0.00 107 D 8.07 4.64 0.00 2.62 2.55 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 0.00 108 L 7.56 4.25 0.00 1.71 1.64 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.44 4.44 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 3.94 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 111 D 8.02 4.39 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.92 3.95 0.00 2.22 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 2.35 2.36 0.00 113 I 7.97 3.72 2.01 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 1.54 1.18 0.92 0.00 0.00 114 E 8.19 3.95 0.00 2.15 1.99 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 2.48 2.46 0.00 115 E 8.27 3.91 0.00 2.33 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 2.31 2.38 0.00 116 L 8.04 4.07 0.00 1.90 1.70 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.85 3.89 0.00 2.06 1.98 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 118 N 8.41 4.34 0.00 2.82 2.90 0.00 0.00 7.17 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 0.00 119 I 7.33 3.94 2.05 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 1.51 0.58 0.91 0.00 0.00 120 L 7.72 4.15 0.00 1.80 1.72 0.94 1.16 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 0.00 121 N 7.90 4.51 0.00 2.79 2.88 0.00 0.00 7.10 6.89 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 0.00 122 K 7.80 4.45 0.00 1.96 1.80 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.49 7.81 123 K 8.15 4.15 0.00 1.86 1.75 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81