NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2466 8.1727 120.1343 56.8199 34.8788 173.8551 2 V 4.5919 8.0728 121.1533 60.8751 32.6424 174.6224 3 F 4.4938 10.4096 129.0022 57.1804 40.5332 174.9174 4 E 4.2022 9.6879 120.7048 55.7627 30.8710 177.0284 5 R 3.3563 8.9576 119.9253 60.9290 30.1319 179.2284 6 C 4.3368 8.0721 115.6640 59.8424 37.4078 175.8463 7 E 3.8986 8.0931 120.8078 59.0007 29.2534 178.3898 8 L 3.5654 8.0893 120.3447 57.7239 42.0499 178.5839 9 A 3.9423 7.8713 120.7178 55.5219 18.2602 179.9481 10 R 3.8972 7.9797 116.3510 59.5531 30.0881 179.4949 11 T 3.8433 7.8782 115.6061 66.6605 68.3899 176.7018 12 L 3.8528 8.1170 121.2534 57.4190 41.4721 179.5489 13 K 3.8829 7.9881 119.5473 59.7089 32.0081 178.8453 14 R 3.9201 7.9113 117.0764 59.4002 30.1072 178.1902 15 L 4.3118 7.6527 115.3256 54.8076 41.6597 177.5769 16 G 3.8903 8.1196 107.5557 46.1496 0.0000 174.6411 17 M 3.9930 8.1062 120.2857 55.8710 32.4161 175.6027 18 D 4.5734 8.0212 118.3198 55.6512 41.1563 175.6648 19 G 3.9322 9.4211 115.5535 45.5359 0.0000 171.4108 20 Y 4.1589 8.1058 121.7193 58.6898 38.8807 176.4080 21 R 3.6448 8.9896 126.0566 57.2424 27.7868 177.1489 22 G 3.8221 8.0995 103.2766 45.8047 0.0000 174.0893 23 I 4.0093 7.6276 122.0404 59.4882 37.9886 176.1010 24 S 4.7943 8.2964 120.1503 57.3977 64.2323 174.7546 25 L 4.2054 8.9904 122.8979 58.6786 41.6232 179.1961 26 A 4.1316 8.1673 119.9699 55.3122 18.3033 179.2413 27 N 4.4007 8.2020 114.8876 56.3333 38.5507 177.7239 28 W 4.2191 7.9682 119.8835 59.9898 29.1448 178.3624 29 M 4.1552 8.5023 118.9412 58.5539 31.4013 177.9801 30 C 3.1029 8.0368 118.7232 59.0339 44.8553 175.4206 31 L 3.9859 7.9904 121.7866 58.2113 41.6467 178.8491 32 A 4.1026 8.3992 120.9481 54.8347 18.2901 179.4521 33 K 3.0884 8.3051 118.3336 59.4823 32.0918 179.2311 34 W 4.1803 7.9081 117.5522 59.5783 28.9971 178.1740 35 E 4.3827 8.4238 118.4668 58.7064 29.4735 177.9038 36 S 4.4764 8.3913 109.2033 57.1723 65.5800 175.0329 37 G 3.4479 8.5102 108.8285 46.5714 0.0000 173.7170 38 Y 3.7863 7.7674 114.7892 58.3604 35.7384 167.8537 39 N 5.4048 7.7917 119.3081 52.0452 40.1899 175.7346 40 T 4.1042 9.0574 116.7912 63.8089 69.7828 175.7234 41 R 4.7473 8.3452 119.7506 55.7750 31.0370 176.5754 42 A 4.3720 7.8725 122.7500 52.6945 19.4746 177.1548 43 T 5.0754 8.2309 109.1752 60.6403 72.6044 172.8128 44 N 4.8832 8.7357 120.7643 52.7661 42.5653 172.2288 45 Y 4.6710 8.7843 127.5527 56.3830 41.0584 173.7282 46 N 4.6714 8.4970 124.8194 51.1802 39.2771 175.3559 47 A 3.9169 8.4719 128.0581 54.9049 18.9770 178.9262 48 G 3.8218 8.2195 104.2613 48.2412 0.0000 173.8484 49 D 4.7340 7.6374 115.0997 51.9163 40.1172 175.8859 50 R 3.8245 8.2033 117.0560 56.9966 28.1015 176.1136 51 S 4.7971 7.8803 113.2038 57.4806 66.0568 172.6794 52 T 4.9983 8.7568 115.4937 61.9293 72.6900 173.0220 53 D 5.4118 9.1296 125.6459 53.3204 43.0756 175.1181 54 Y 4.8673 9.1009 120.6722 57.4392 41.9094 177.2424 55 G 4.5460 8.8662 111.7084 45.9020 0.0000 173.3276 56 I 3.5951 8.3775 117.4411 63.5494 37.6398 176.9122 57 F 4.7424 7.9890 115.1034 56.3781 40.2813 174.9460 58 Q 3.6289 8.0915 119.1128 57.0272 26.2655 173.7222 59 I 4.4510 8.3540 119.4380 60.6661 39.3705 176.8767 60 N 5.5217 9.3846 125.9403 52.8831 39.8447 175.6405 61 S 5.0469 8.9095 119.8523 60.0056 63.5524 175.3186 62 R 3.8881 8.7514 122.1822 58.4972 30.5145 177.5457 63 Y 4.2519 7.8761 114.7118 57.5645 40.4443 176.7039 64 W 4.8896 8.2124 118.6744 57.9970 31.2016 173.8785 65 C 5.5813 8.3003 112.9905 53.5476 46.0758 171.4931 66 N 5.2663 9.2474 119.6098 52.0916 39.9891 174.8144 67 D 4.8651 8.6783 123.7843 52.3713 40.2806 176.2288 68 G 3.9933 9.1772 107.1598 46.4033 0.0000 175.1584 69 K 4.5432 8.6076 114.4904 57.1253 34.0286 175.5280 70 T 4.5457 7.8368 117.0810 61.1764 70.2965 171.9221 71 P 4.2787 0.0000 0.0000 63.8524 31.8759 177.1226 72 G 3.7658 8.6702 108.0345 45.0136 0.0000 173.5054 73 A 3.9615 7.0607 122.3283 52.9358 18.5327 177.8658 74 V 4.1149 8.4076 120.7419 60.4312 33.0810 175.1011 75 N 4.1865 8.1325 118.5588 53.9663 37.3161 175.2686 76 A 4.0000 7.7514 121.0559 55.2134 18.6861 178.6665 77 C 4.5149 8.8011 111.0728 57.0528 41.2143 173.0822 78 H 4.0673 8.1093 117.0011 55.9606 26.3805 174.2896 79 L 4.6265 8.8970 120.2955 53.4866 46.0674 174.3678 80 S 4.7942 8.5271 119.8454 57.7822 64.1429 175.8604 81 C 4.2141 8.7165 122.6373 59.9004 34.4827 176.3572 82 S 3.8655 7.4071 114.9802 60.4878 62.3293 176.0742 83 K 4.2101 8.1707 121.6196 58.0188 32.1541 177.2795 84 L 4.6811 7.9956 119.3835 54.8063 41.6642 177.4471 85 L 4.9721 7.6896 117.6857 54.4584 42.2218 175.9486 86 D 4.8198 7.6749 119.0715 52.0418 41.4574 175.6798 87 D 4.5425 8.4953 117.0072 54.9767 41.1670 175.8484 88 N 4.8297 8.0473 119.0164 52.2517 39.8472 174.6084 89 I 4.6090 8.5989 120.1363 60.5107 38.0662 177.2741 90 A 4.0038 7.8109 124.3345 55.4885 18.0873 180.0002 91 D 4.3517 8.0590 117.1232 56.2322 39.2463 178.4124 92 D 4.4298 8.0917 120.2914 57.1887 40.7815 178.6542 93 V 3.2496 7.8375 118.5115 65.8652 31.6937 177.8452 94 A 3.7838 7.9507 120.5738 55.3437 18.1574 178.8483 95 C 4.1897 8.3828 116.7346 59.7237 37.9940 175.6147 96 A 3.8104 8.3188 122.7450 55.0187 17.5564 179.7496 97 K 3.7473 7.6964 116.6383 59.4398 32.2139 179.2213 98 R 4.0668 7.6725 118.6912 59.1470 30.0747 178.6030 99 V 2.4879 7.4133 118.1279 65.6963 30.9785 177.8517 100 V 3.9307 7.6162 109.1149 62.4515 31.2158 177.9609 101 R 4.1800 7.9428 118.3547 57.3017 30.6250 176.3748 102 D 4.7643 7.5734 119.0587 52.6385 41.8614 175.4483 103 P 4.2957 0.0000 0.0000 65.9560 31.5199 178.4209 104 Q 4.0424 8.1623 116.6034 56.5131 30.0280 177.2243 105 G 3.7936 7.8104 106.7138 46.9515 0.0000 175.1025 106 I 3.9242 7.7136 119.9499 62.5595 38.0655 177.8559 107 R 4.3362 7.5400 117.5629 58.1639 30.0341 177.4240 108 A 4.1279 7.5785 120.3728 53.5833 18.5239 178.2159 109 W 4.7467 8.1374 117.4315 55.2939 30.3718 177.6730 110 V 3.7377 8.6303 125.2537 64.8380 30.8154 177.9969 111 A 4.0107 8.2957 120.9417 54.7515 18.1499 179.2204 112 W 3.9860 8.3421 126.3008 60.7858 30.6525 178.3584 113 R 3.7028 7.9241 117.0206 59.0152 29.5230 178.3142 114 N 4.4117 7.9213 115.4328 54.7881 38.8429 176.6171 115 R 4.0752 7.7938 116.5660 55.5496 31.7236 175.3174 116 C 4.4516 7.6266 115.0141 58.0832 42.4028 174.1542 117 Q 3.1005 6.1622 117.8303 57.5270 28.4719 176.7309 118 N 4.2375 8.6144 119.8613 53.6766 36.6769 174.0582 119 R 4.4866 7.4283 116.9356 53.9163 32.3665 175.3107 120 D 4.4966 8.4586 119.3633 54.5918 41.6635 176.1775 121 V 4.7132 8.3411 117.8533 61.2118 33.0407 177.6292 122 R 4.1214 8.3065 121.7154 58.9283 30.2317 178.9133 123 Q 3.9857 8.2303 116.0265 59.2786 28.5783 178.3350 124 Y 4.0556 7.7433 115.5304 60.2600 37.9070 177.4106 125 V 4.3687 7.8406 110.3139 60.8001 32.6231 175.5273 126 Q 4.0317 7.5701 120.9794 57.3546 28.7753 176.8163 127 G 3.9467 9.0607 110.5605 45.8462 0.0000 174.3509 128 C 4.4900 7.8383 115.6884 56.1271 40.7292 174.0161 129 G 3.9430 7.9368 107.1069 46.5509 0.0000 174.1557 130 V 3.9004 7.9089 117.8804 61.1693 31.7500 176.2680 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 K 8.17 4.25 0.00 1.67 1.88 0.00 1.10 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 0.97 7.81 2 V 8.07 4.59 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 0.89 0.00 0.00 1.00 0.00 0.00 3 F 10.41 4.49 0.00 2.77 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 4 E 9.69 4.20 0.00 1.86 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 2.40 2.40 0.00 5 R 8.96 3.36 0.00 1.98 1.90 0.00 3.41 0.00 0.00 3.44 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 6 C 8.07 4.34 0.00 3.01 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 7 E 8.09 3.90 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 8 L 8.09 3.57 0.00 1.31 1.33 -0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.94 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 10 R 7.98 3.90 0.00 1.89 1.99 0.00 3.14 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 1.65 1.80 0.00 11 T 7.88 3.84 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 1.18 0.00 0.00 12 L 8.12 3.85 0.00 1.73 1.59 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.99 3.88 0.00 1.96 1.95 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 14 R 7.91 3.92 0.00 2.02 1.98 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 15 L 7.65 4.31 0.00 1.49 1.57 0.85 0.81 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 16 G 8.12 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 17 M 8.11 3.99 0.00 1.09 1.77 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 18 D 8.02 4.57 0.00 2.67 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 19 G 9.42 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 0.00 0.00 0.00 20 Y 8.11 4.16 0.00 3.32 3.22 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 21 R 8.99 3.64 0.00 1.83 1.81 0.00 3.25 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 22 G 8.10 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.63 4.01 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.46 -0.27 0.00 0.00 24 S 8.30 4.79 0.00 4.06 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 25 L 8.99 4.21 0.00 2.07 1.82 1.04 1.20 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 26 A 8.17 4.13 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 27 N 8.20 4.40 0.00 2.84 2.80 0.00 0.00 6.98 7.56 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 28 W 7.97 4.22 0.00 3.57 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 29 M 8.50 4.16 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.92 0.00 30 C 8.04 3.10 0.00 2.41 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.99 3.99 0.00 1.81 1.77 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.40 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.31 3.09 0.00 1.68 1.92 0.00 0.80 0.00 0.00 1.12 0.00 0.00 2.60 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 0.81 7.81 34 W 7.91 4.18 0.00 3.35 3.30 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 35 E 8.42 4.38 0.00 2.08 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 2.57 2.47 0.00 36 S 8.39 4.48 0.00 4.08 4.07 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 37 G 8.51 3.45 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 38 Y 7.77 3.79 0.00 3.36 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 39 N 7.79 5.40 0.00 2.80 2.80 0.00 0.00 6.99 6.54 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 40 T 9.06 4.10 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 41 R 8.35 4.75 0.00 1.87 2.02 0.00 3.20 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 42 A 7.87 4.37 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 43 T 8.23 5.08 4.08 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 0.00 0.00 1.33 0.00 0.00 44 N 8.74 4.88 0.00 2.96 2.70 0.00 0.00 7.08 7.71 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 45 Y 8.78 4.67 0.00 3.09 2.90 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 46 N 8.50 4.67 0.00 2.57 2.61 0.00 0.00 6.51 8.35 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 47 A 8.47 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.22 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.64 4.73 0.00 2.69 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 50 R 8.20 3.82 0.00 2.00 2.20 0.00 3.16 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 51 S 7.88 4.80 0.00 3.91 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 52 T 8.76 5.00 4.20 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 0.62 0.00 0.00 53 D 9.13 5.41 0.00 2.70 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 54 Y 9.10 4.87 0.00 2.92 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 55 G 8.87 4.55 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 0.00 0.00 0.00 56 I 8.38 3.60 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.73 0.21 0.00 0.00 57 F 7.99 4.74 0.00 3.21 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 58 Q 8.09 3.63 0.00 2.57 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.83 0.00 59 I 8.35 4.45 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 1.13 0.00 0.00 60 N 9.38 5.52 0.00 3.10 3.07 0.00 0.00 7.45 7.53 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 61 S 8.91 5.05 0.00 4.10 4.48 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 0.00 0.00 0.00 0.00 62 R 8.75 3.89 0.00 1.67 1.81 0.00 2.63 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 63 Y 7.88 4.25 0.00 1.91 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 64 W 8.21 4.89 0.00 3.59 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 65 C 8.30 5.58 0.00 3.18 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 66 N 9.25 5.27 0.00 2.81 2.71 0.00 0.00 7.02 8.38 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 67 D 8.68 4.87 0.00 2.80 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 68 G 9.18 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 0.00 0.00 0.00 69 K 8.61 4.54 0.00 1.88 1.86 0.00 1.61 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.51 7.81 70 T 7.84 4.55 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 1.16 0.00 0.00 71 P 0.00 4.28 0.00 2.14 2.04 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 72 G 8.67 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.06 3.96 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 74 V 8.41 4.11 1.92 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 0.60 0.00 0.00 0.86 0.00 0.00 75 N 8.13 4.19 0.00 2.88 2.79 0.00 0.00 7.05 8.47 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 76 A 7.75 4.00 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 77 C 8.80 4.51 0.00 3.17 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 78 H 8.11 4.07 0.00 3.24 3.35 0.00 5.85 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.90 4.63 0.00 1.67 1.48 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.53 4.79 0.00 4.01 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 81 C 8.72 4.21 0.00 1.95 1.79 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 82 S 7.41 3.87 0.00 3.85 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 83 K 8.17 4.21 0.00 1.84 1.92 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 84 L 8.00 4.68 0.00 1.92 1.90 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.69 4.97 0.00 1.76 1.74 1.13 1.47 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 86 D 7.67 4.82 0.00 2.79 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 87 D 8.50 4.54 0.00 2.67 2.69 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 0.00 0.00 0.00 0.00 88 N 8.05 4.83 0.00 2.69 2.74 0.00 0.00 7.09 8.78 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 89 I 8.60 4.61 1.85 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.06 0.98 0.00 0.00 90 A 7.81 4.00 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 91 D 8.06 4.35 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 92 D 8.09 4.43 0.00 3.05 3.08 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 0.00 0.00 0.00 93 V 7.84 3.25 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 0.78 0.00 0.00 0.85 0.00 0.00 94 A 7.95 3.78 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 95 C 8.38 4.19 0.00 3.03 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 A 8.32 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.70 3.75 0.00 1.63 1.42 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.27 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.87 7.81 98 R 7.67 4.07 0.00 1.98 2.05 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 99 V 7.41 2.49 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 0.00 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 100 V 7.62 3.93 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 1.09 0.00 0.00 1.41 0.00 0.00 101 R 7.94 4.18 0.00 2.06 2.05 0.00 3.24 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 102 D 7.57 4.76 0.00 2.99 2.64 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 0.00 103 P 0.00 4.30 0.00 2.03 2.12 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 104 Q 8.16 4.04 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 105 G 7.81 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 0.00 0.00 0.00 106 I 7.71 3.92 0.98 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.68 -0.68 0.00 0.00 107 R 7.54 4.34 0.00 2.13 2.03 0.00 3.27 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 108 A 7.58 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.14 4.75 0.00 3.45 3.10 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 0.00 110 V 8.63 3.74 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 0.92 0.00 0.00 0.99 0.00 0.00 111 A 8.30 4.01 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.34 3.99 0.00 3.34 3.37 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 0.00 113 R 7.92 3.70 0.00 1.92 1.97 0.00 3.28 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 114 N 7.92 4.41 0.00 2.66 2.67 0.00 0.00 6.85 7.03 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 0.00 115 R 7.79 4.08 0.00 1.00 0.66 0.00 2.21 0.00 0.00 2.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.74 0.00 116 C 7.63 4.45 0.00 1.58 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 0.00 117 Q 6.16 3.10 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.05 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 118 N 8.61 4.24 0.00 2.78 2.87 0.00 0.00 6.96 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 0.00 119 R 7.43 4.49 0.00 1.71 1.81 0.00 3.03 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 120 D 8.46 4.50 0.00 2.64 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 0.00 121 V 8.34 4.71 2.40 0.00 0.00 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 1.03 0.00 0.00 122 R 8.31 4.12 0.00 2.05 2.02 0.00 3.16 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 123 Q 8.23 3.99 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.88 0.00 0.00 0.00 0.00 0.00 2.19 1.62 0.00 124 Y 7.74 4.06 0.00 3.33 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 0.00 125 V 7.84 4.37 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 0.91 0.00 0.00 1.01 0.00 0.00 126 Q 7.57 4.03 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 127 G 9.06 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 0.00 0.00 0.00 128 C 7.84 4.49 0.00 2.98 3.14 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 0.00 0.00 0.00 0.00 129 G 7.94 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 0.00 130 V 7.91 3.90 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 0.71 0.00 0.00 0.96 0.00 0.00