NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8141 8.3544 109.7364 45.7923 0.0000 173.3804 2 S 4.1467 7.9133 109.3644 56.5034 63.8970 173.4162 3 S 4.5088 7.9524 119.8472 57.6435 65.5629 174.8367 4 G 3.9763 8.0946 110.1887 46.3647 0.0000 172.0503 5 S 4.6291 8.0192 113.8453 57.4932 66.6759 173.5326 6 S 4.4151 8.2338 115.8357 58.0161 64.7992 175.5267 7 G 4.0407 8.4473 109.9358 45.7749 0.0000 172.5937 8 K 4.4415 8.0243 122.8322 54.2263 32.4867 175.0693 9 L 4.8822 7.8741 122.9741 53.0742 45.3725 174.7987 10 Y 4.5579 9.7186 120.3184 55.5560 41.7917 175.1138 11 G 4.3026 7.5414 119.8754 46.4941 0.0000 172.5815 12 S 4.4963 7.0971 109.9874 57.4387 63.7460 173.8534 13 I 3.7353 7.8009 111.8919 60.5913 37.8971 174.7767 14 F 4.7054 8.7149 122.4736 55.8626 40.5013 175.3486 15 T 4.5386 8.3823 115.0494 60.2592 70.1450 173.4970 16 G 4.0552 8.3147 112.8106 44.5063 0.0000 171.1836 17 A 4.8564 8.4704 125.9811 50.0916 22.4428 175.2457 18 S 4.6324 8.1804 112.8004 56.5113 65.5076 174.0596 19 K 3.9188 8.6304 125.1413 58.4246 31.6965 176.9955 20 F 5.0314 8.7329 117.6777 56.2193 42.1874 174.4364 21 R 5.0268 8.4935 117.7110 55.0706 34.2535 174.0227 22 C 4.5760 8.1419 121.2494 58.1750 32.4833 173.5785 23 K 4.0599 8.8358 128.0251 59.4973 31.7235 177.5840 24 D 4.0777 7.5906 116.8885 57.4728 41.2576 178.8167 25 C 4.5730 7.6519 115.3373 57.5314 32.0703 173.4196 26 S 4.5963 8.2913 113.5599 58.4233 62.5869 174.7430 27 A 4.4090 7.8662 123.1204 50.5523 20.1036 177.1736 28 A 4.6057 8.1493 123.4178 51.6180 21.4394 175.0829 29 Y 4.8550 8.7698 116.0820 56.9733 42.5381 176.1241 30 D 4.6999 9.2064 118.9222 55.6695 42.4908 177.3934 31 T 4.8098 7.6355 108.6282 59.4408 70.9988 174.8199 32 L 2.8753 8.3274 126.5065 57.9386 41.2656 179.4815 33 V 3.4618 7.6791 118.3814 64.7151 30.6948 177.9568 34 E 4.0407 7.6733 118.3684 58.5820 29.7404 178.2706 35 L 3.3410 7.2465 120.0036 57.9796 42.3157 178.5308 36 T 3.7763 7.7125 109.9846 65.2018 68.4006 175.6424 37 V 3.4657 6.9905 121.8058 65.9506 31.2858 177.5202 38 H 4.1243 8.1684 117.7653 59.4558 29.6035 176.9548 39 M 4.1600 7.7988 121.3314 57.5984 31.4596 178.1268 40 N 4.2489 7.7692 115.1315 55.5852 39.3374 176.7719 41 E 4.0410 8.2298 119.1359 59.8389 29.7089 179.2337 42 T 4.1246 7.8667 107.8488 64.7261 69.4960 174.6668 43 G 3.4929 7.4837 111.2743 45.6047 0.0000 173.4476 44 H 4.3837 7.4224 117.2760 55.8302 30.3600 173.5231 45 Y 5.3236 8.2718 115.1155 56.4042 42.8134 174.8627 46 R 4.7232 8.9953 118.1241 56.9991 29.7862 175.7414 47 D 4.8634 8.5395 116.7276 54.5874 41.2728 176.3165 48 D 4.3835 8.0088 117.4540 52.9860 41.7599 175.8476 49 N 4.2045 8.3998 120.1433 54.0563 39.6735 173.5051 50 H 4.8449 8.3712 120.4132 54.0687 31.8155 174.9099 51 E 4.5776 8.5985 123.4105 55.3180 28.2697 175.8468 52 T 4.6141 7.5028 115.6289 63.4073 69.8410 174.4131 53 D 4.7021 7.8453 118.9676 53.1232 44.4180 173.4340 54 N 4.6427 8.7016 123.1357 54.8315 40.8759 173.7896 55 N 4.1218 8.2373 116.9054 54.1129 39.1431 173.8595 56 N 4.7750 8.5377 124.9870 50.5149 36.8969 173.6649 57 P 4.4989 0.0000 0.0000 63.9194 31.8123 176.7257 58 K 4.2701 7.4705 118.9062 55.6970 32.9424 176.8657 59 R 4.0438 8.5929 125.0729 55.7474 30.7087 175.3575 60 W 4.8856 7.9961 121.0891 54.3533 30.3196 176.1540 61 S 4.2801 8.5825 116.2697 58.0651 62.8202 173.8942 62 K 3.8469 8.5277 119.9046 56.4215 32.1257 175.0919 63 P 4.7551 0.0000 0.0000 62.4711 32.3483 175.3969 64 R 4.4904 8.2318 118.3533 55.3534 31.0632 175.2903 65 K 4.7387 8.1603 120.9952 55.6473 35.4654 175.4152 66 R 4.6884 8.0433 116.0209 54.7957 32.2740 174.7838 67 S 4.3970 8.4926 116.0624 58.5833 63.9297 174.8839 68 L 4.6749 8.0477 123.7146 52.0324 41.2036 175.2054 69 L 4.1178 7.5419 121.2298 56.3035 40.9661 177.1957 70 E 4.6734 7.9497 114.6076 55.9722 33.1404 174.8945 71 M 4.3800 8.0183 118.6808 54.8267 33.2573 173.0929 72 E 4.8278 8.7142 117.2823 54.4828 33.4275 176.0851 73 G 4.1891 8.0705 108.0012 45.6527 0.0000 176.3822 74 K 4.2628 8.5461 117.5613 55.3697 30.5290 174.3243 75 E 4.5751 8.1623 121.1091 54.2818 31.3152 175.7977 76 D 4.4726 8.4251 122.4630 52.1778 41.2213 175.6207 77 A 4.3507 8.3944 129.8564 50.6145 17.3510 175.6754 78 Q 4.6011 7.7226 121.2403 53.9069 31.3583 175.2089 79 K 4.7417 8.1327 117.8213 55.5016 32.8438 175.6825 80 V 4.5651 7.6748 114.1065 59.6212 34.4494 173.3684 81 L 4.1444 8.7158 123.2848 55.5363 42.5619 176.0736 82 K 5.1205 8.5173 124.6194 54.8525 35.5153 175.1746 83 C 4.4351 9.0282 127.9069 59.5517 32.1911 173.8003 84 M 4.2270 8.7316 126.2844 58.0276 32.2865 176.6923 85 Y 4.0263 8.1789 119.4738 60.3938 39.4510 175.9097 86 C 4.4558 8.4783 113.0375 60.8935 31.1010 174.5972 87 G 4.5838 8.9339 108.8660 43.5584 0.0000 171.5736 88 H 4.5247 7.6319 116.7900 54.3479 32.0482 173.0580 89 S 4.3829 8.4714 123.0341 58.9296 63.1867 173.6414 90 F 4.9442 8.9407 121.2242 56.1884 42.8375 174.5574 91 E 4.4828 9.0832 118.9735 57.9868 29.3727 177.4167 92 S 4.8849 7.5676 113.0275 56.0405 67.1226 175.1163 93 L 3.8315 8.3282 123.0569 58.3933 41.4744 179.3041 94 Q 3.7444 8.0112 118.5576 59.6555 28.9716 178.5683 95 D 4.2479 7.5004 117.5521 57.4818 40.8364 179.3466 96 L 2.9738 7.7564 120.5772 58.1079 42.1142 178.7548 97 S 4.0082 7.8319 114.7687 61.5835 62.8909 176.7973 98 V 3.5950 8.3769 122.1171 65.0012 30.6781 177.8798 99 H 4.1312 7.4488 118.2348 59.3480 29.8956 176.7967 100 M 3.9798 8.1640 120.6073 58.3104 31.7814 178.7736 101 I 3.9845 7.5330 119.1541 63.8705 37.6004 178.3559 102 K 3.9552 7.7439 117.6989 58.7460 32.0124 177.7889 103 T 4.2546 7.7534 106.4913 59.9964 70.3143 173.9345 104 K 4.3087 7.3643 120.7748 56.6998 30.2123 176.8037 105 H 3.9307 7.8451 116.8341 58.3866 29.3982 177.9757 106 Y 4.2495 7.9710 116.3435 59.4952 38.1336 177.0051 107 Q 3.6947 6.6599 121.3710 57.6349 29.1425 175.5437 108 K 4.5207 7.5605 117.4202 54.3639 32.2921 175.7968 109 V 4.4417 8.1223 113.4557 60.9290 33.4895 175.3156 110 S 4.6872 7.4116 114.2187 58.5915 68.1363 172.8812 111 G 3.8979 8.0107 118.4894 45.6445 0.0000 175.5615 112 P 4.5681 0.0000 0.0000 62.0496 32.4869 175.0739 113 S 4.6334 8.0969 111.4422 56.8096 65.2787 173.3692 114 S 4.3929 9.1527 122.1077 59.0297 63.8344 174.3441 115 G 3.6274 7.9349 114.1324 45.2624 0.0000 171.8327 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 1 G 8.35 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 2 S 7.91 4.15 0.00 3.86 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 3 S 7.95 4.51 0.00 3.95 3.76 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 4 G 8.09 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 5 S 8.02 4.63 0.00 3.81 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 6 S 8.23 4.42 0.00 3.91 3.80 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 7 G 8.45 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 0.00 0.00 0.00 8 K 8.02 4.44 0.00 1.75 1.82 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 L 7.87 4.88 0.00 1.52 1.45 0.95 0.90 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 10 Y 9.72 4.56 0.00 2.91 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 11 G 7.54 4.30 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 0.00 12 S 7.10 4.50 0.00 3.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.80 3.74 1.85 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 1.37 0.48 0.90 0.00 0.00 14 F 8.71 4.71 0.00 3.05 3.01 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 15 T 8.38 4.54 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 1.23 0.00 0.00 16 G 8.31 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.47 4.86 1.20 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 0.00 0.00 18 S 8.18 4.63 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 3.92 0.00 1.67 1.32 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.58 7.81 20 F 8.73 5.03 0.00 3.16 3.04 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 21 R 8.49 5.03 0.00 1.67 1.80 0.00 3.24 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 22 C 8.14 4.58 0.00 3.25 2.96 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 23 K 8.84 4.06 0.00 2.14 1.86 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.46 7.81 24 D 7.59 4.08 0.00 2.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.65 4.57 0.00 3.12 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 26 S 8.29 4.60 0.00 3.85 3.88 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 0.00 0.00 0.00 27 A 7.87 4.41 1.03 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 0.00 0.00 28 A 8.15 4.61 1.22 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 0.00 0.00 0.00 29 Y 8.77 4.85 0.00 2.98 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 30 D 9.21 4.70 0.00 2.75 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 31 T 7.64 4.81 4.25 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 1.28 0.00 0.00 32 L 8.33 2.88 0.00 0.73 1.40 0.53 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.68 3.46 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 0.74 0.00 0.00 0.87 0.00 0.00 34 E 7.67 4.04 0.00 2.05 1.65 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 2.22 2.25 0.00 35 L 7.25 3.34 0.00 1.73 1.51 1.20 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.71 3.78 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 37 V 6.99 3.47 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 1.03 0.00 0.00 0.87 0.00 0.00 38 H 8.17 4.12 0.00 3.21 3.34 0.00 5.85 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 39 M 7.80 4.16 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 40 N 7.77 4.25 0.00 2.61 2.79 0.00 0.00 7.14 7.07 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 41 E 8.23 4.04 0.00 1.92 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 2.31 2.37 0.00 42 T 7.87 4.12 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 1.14 0.00 0.00 43 G 7.48 3.49 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 0.00 44 H 7.42 4.38 0.00 3.00 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.27 5.32 0.00 2.91 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 46 R 9.00 4.72 0.00 2.12 2.11 0.00 3.05 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 47 D 8.54 4.86 0.00 2.83 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 48 D 8.01 4.38 0.00 2.68 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 49 N 8.40 4.20 0.00 2.68 2.76 0.00 0.00 6.84 7.90 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 50 H 8.37 4.84 0.00 3.12 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.60 4.58 0.00 2.04 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 2.17 2.29 0.00 52 T 7.50 4.61 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 53 D 7.85 4.70 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.70 4.64 0.00 2.65 2.76 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 55 N 8.24 4.12 0.00 2.71 2.77 0.00 0.00 6.89 7.81 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 56 N 8.54 4.78 0.00 2.95 2.98 0.00 0.00 5.91 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 57 P 0.00 4.50 0.00 2.23 2.24 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 58 K 7.47 4.27 0.00 2.03 1.92 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.58 7.81 59 R 8.59 4.04 0.00 1.73 1.79 0.00 3.07 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.26 0.00 60 W 8.00 4.89 0.00 3.42 3.17 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 0.00 0.00 0.00 0.00 61 S 8.58 4.28 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.53 3.85 0.00 1.74 1.82 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 63 P 0.00 4.76 0.00 2.28 2.31 0.00 3.79 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 2.05 2.03 0.00 64 R 8.23 4.49 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 65 K 8.16 4.74 0.00 1.86 1.73 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.44 7.81 66 R 8.04 4.69 0.00 1.89 1.89 0.00 3.03 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 67 S 8.49 4.40 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.05 4.67 0.00 1.59 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.54 4.12 0.00 1.73 1.74 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.95 4.67 0.00 1.93 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 2.19 2.43 0.00 71 M 8.02 4.38 0.00 2.05 1.98 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 2.38 2.37 0.00 72 E 8.71 4.83 0.00 2.05 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 2.15 2.26 0.00 73 G 8.07 4.19 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 0.00 74 K 8.55 4.26 0.00 1.76 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.40 7.81 75 E 8.16 4.58 0.00 1.95 1.87 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 2.24 2.27 0.00 76 D 8.43 4.47 0.00 2.71 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 77 A 8.39 4.35 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 78 Q 7.72 4.60 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.48 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 79 K 8.13 4.74 0.00 1.66 1.71 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 80 V 7.67 4.57 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 0.70 0.00 0.00 0.95 0.00 0.00 81 L 8.72 4.14 0.00 1.80 1.78 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.52 5.12 0.00 1.88 1.68 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.40 7.81 83 C 9.03 4.44 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.73 4.23 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 85 Y 8.18 4.03 0.00 3.06 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 86 C 8.48 4.46 0.00 3.29 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 0.00 87 G 8.93 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.63 4.52 0.00 2.95 2.78 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.47 4.38 0.00 3.81 3.75 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 0.00 0.00 0.00 90 F 8.94 4.94 0.00 2.92 2.89 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 91 E 9.08 4.48 0.00 1.99 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 2.25 2.33 0.00 92 S 7.57 4.88 0.00 3.83 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 93 L 8.33 3.83 0.00 1.65 1.66 0.90 0.73 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 94 Q 8.01 3.74 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 95 D 7.50 4.25 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 2.97 0.00 1.32 1.62 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.83 4.01 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.59 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 0.73 0.00 0.00 0.89 0.00 0.00 99 H 7.45 4.13 0.00 3.32 3.25 0.00 5.80 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 0.00 100 M 8.16 3.98 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.71 0.00 101 I 7.53 3.98 1.87 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 1.58 1.13 0.94 0.00 0.00 102 K 7.74 3.96 0.00 1.78 1.85 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 103 T 7.75 4.25 3.76 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 1.02 0.00 0.00 104 K 7.36 4.31 0.00 1.91 1.68 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.49 7.81 105 H 7.85 3.93 0.00 3.11 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.97 4.25 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 107 Q 6.66 3.69 0.00 1.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 108 K 7.56 4.52 0.00 1.91 1.80 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.52 7.81 109 V 8.12 4.44 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 0.96 0.00 0.00 1.06 0.00 0.00 110 S 7.41 4.69 0.00 3.81 3.75 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 0.00 0.00 0.00 111 G 8.01 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 0.00 112 P 0.00 4.57 0.00 2.18 2.10 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 113 S 8.10 4.63 0.00 3.78 3.70 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 0.00 114 S 9.15 4.39 0.00 4.01 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 0.00 115 G 7.93 3.63 0.00 0.00 0.00 0.00 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