NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4795 8.3049 120.3305 55.4876 33.2357 174.4049 2 M 4.4598 8.5794 123.5916 53.0092 34.3278 170.1913 3 V 4.3874 8.2954 122.0798 60.7126 34.3529 174.1219 4 W 4.5920 8.9645 135.0000 57.4685 31.1352 175.4584 5 T 4.0140 8.1448 123.6908 61.3604 67.2480 172.4662 6 P 4.5485 0.0000 0.0000 63.4372 32.2213 175.8567 7 V 4.2970 7.2580 118.3111 60.9375 33.8505 174.9113 8 N 4.6700 8.4454 122.7417 52.6125 37.9139 174.7732 9 N 5.0637 8.2125 125.2381 52.6659 39.7653 174.7246 10 K 4.0558 8.4063 116.4234 56.6443 32.7579 176.8055 11 M 4.9461 8.2835 121.6521 54.1737 34.9662 175.7024 12 F 4.5902 8.2917 116.3896 57.0692 41.0349 176.0894 13 E 3.4770 8.4413 122.1859 57.2080 27.9202 175.5180 14 T 3.9084 8.3551 122.2219 66.4362 68.8248 174.3047 15 F 4.5457 9.0681 124.3636 57.5895 36.7784 176.4114 16 S 4.4704 8.2413 114.6839 60.3707 62.9409 174.4822 17 Y 4.3948 8.2643 117.4075 58.2196 38.2207 175.2026 18 L 4.6664 7.6036 120.3542 52.3231 43.4036 174.6571 19 P 4.4501 0.0000 0.0000 61.9042 31.8126 174.9351 20 P 4.2717 0.0000 0.0000 62.9315 31.7431 176.4317 21 L 4.0168 8.3272 122.8756 54.6242 42.2136 177.9111 22 T 4.1845 8.2046 113.9042 61.2594 70.9517 175.2156 23 D 4.3349 8.5643 121.2075 57.6695 40.8041 178.7627 24 E 3.9354 8.1265 119.1741 59.3943 29.7732 178.7963 25 Q 3.9256 8.0189 118.1880 58.7295 28.7427 178.6438 26 I 3.7094 8.0376 120.9214 64.3869 37.1381 178.1950 27 A 4.0413 8.4045 121.7681 55.2856 18.2132 179.5665 28 A 3.9574 8.0845 119.1861 55.3895 18.4314 179.9250 29 Q 4.0989 8.0712 116.4127 59.1098 28.7680 179.1236 30 V 3.7634 8.1943 119.4189 66.0731 31.5681 177.7173 31 D 4.4195 8.4836 118.9422 57.6133 40.5251 178.2139 32 Y 4.2149 8.0777 119.8020 60.6452 38.8004 178.0507 33 I 3.9090 7.9716 120.7456 64.5807 37.3341 178.6190 34 V 3.4978 7.8046 118.6116 65.9823 31.1886 177.6847 35 A 3.9073 8.0740 119.6574 54.9406 18.2231 178.4343 36 N 4.0646 7.1303 111.7426 52.1920 38.7065 175.7473 37 G 3.7489 7.3548 108.3165 46.1105 0.0000 174.0675 38 W 4.9529 7.5016 118.8028 55.9834 30.7448 176.3370 39 I 4.3646 8.7900 123.0853 59.5658 37.8214 174.0569 40 P 4.8920 0.0000 0.0000 62.9289 32.7451 175.1898 41 C 4.9779 8.8762 121.4403 58.4083 35.5694 172.4517 42 L 5.3197 8.7463 123.9737 53.2342 44.3840 175.1895 43 E 5.6449 9.2410 120.9711 54.9810 34.1753 174.5556 44 F 5.6070 9.0954 115.7658 56.0728 42.0613 172.9343 45 A 4.5074 8.2248 119.9365 50.2865 22.5933 176.2792 46 E 4.2820 8.5929 118.6549 55.6685 30.7641 177.6566 47 A 4.2572 8.8449 122.9647 55.8471 18.4234 179.9018 48 D 4.4961 8.1597 113.5131 56.5081 41.0388 177.2644 49 K 4.6035 7.9881 117.2505 56.0579 32.5476 176.9187 50 A 3.8857 7.6507 124.5711 54.0345 18.8511 178.3567 51 Y 4.7047 7.3954 111.7669 55.5155 39.9921 175.9052 52 V 3.8156 8.3516 122.3271 62.6866 31.6094 175.4295 53 S 4.7286 8.9529 116.4881 57.5749 66.3453 173.7702 54 N 5.2865 8.5780 114.1281 52.5656 39.5049 176.3152 55 E 3.9824 8.3248 119.4216 59.8140 29.3187 179.1978 56 S 3.9789 8.8113 115.5492 60.6756 62.8486 176.0415 57 A 2.5800 7.6221 123.2314 53.5493 17.7435 179.0092 58 I 3.5698 6.9180 116.6150 63.7578 38.0047 177.0937 59 R 4.2582 7.5878 116.5069 55.6849 30.5362 176.2118 60 F 5.1097 7.1161 118.0714 55.8665 41.4096 177.4423 61 G 4.0448 8.2502 117.2773 46.3298 0.0000 175.5742 62 S 4.6169 8.4400 114.1297 58.7233 62.2654 174.5092 63 V 4.4181 7.2959 107.3991 61.1696 33.0938 177.5295 64 S 4.5043 8.1731 114.5143 59.1974 63.5774 173.3826 65 C 3.9650 8.0667 119.1178 61.6247 27.9490 173.1875 66 L 3.5563 8.4330 122.9019 55.5699 38.9500 173.1662 67 Y 4.3062 7.7391 119.9495 56.0118 39.7683 174.6261 68 Y 4.8855 7.1749 123.4285 56.2555 42.3231 174.7966 69 D 4.5054 8.8604 123.3521 55.3574 41.7141 176.7876 70 N 4.4658 8.8756 116.4753 54.3784 35.9282 176.1488 71 R 3.9575 8.0271 118.5497 59.3348 30.4129 177.1345 72 Y 4.3595 7.6771 114.4084 57.9850 38.3484 175.2431 73 W 5.0971 8.6555 123.9102 55.3085 32.8053 174.4610 74 T 4.2726 8.2064 117.2722 62.7210 69.4097 174.6016 75 M 4.4901 8.5094 126.6264 55.2589 33.1601 175.2038 76 W 4.7864 9.5155 135.0000 56.3401 31.3332 176.9732 77 K 3.4141 8.5104 128.7589 57.5151 30.8771 178.0692 78 L 4.9340 8.2804 124.4304 52.6467 45.1664 173.9926 79 P 4.3193 0.0000 0.0000 63.4927 32.2305 177.6128 80 M 4.3042 8.6944 123.6619 53.6030 30.4787 175.8721 81 F 4.4610 7.2802 118.0218 59.0872 39.9760 176.6269 82 G 4.0054 9.1454 113.0491 45.4318 0.0000 173.0328 83 C 4.2756 7.9296 120.9393 59.7063 31.7672 173.1711 84 R 4.5565 8.6405 124.0362 55.5083 31.1931 174.4142 85 D 4.8154 7.7925 118.2486 51.4483 42.7712 174.4720 86 P 4.3174 0.0000 0.0000 65.9862 31.2490 178.5334 87 M 4.1027 8.2363 117.3046 58.2437 31.7858 178.4734 88 Q 3.9653 7.9115 119.9514 59.1368 29.2252 178.6351 89 V 3.5888 7.7443 118.6397 66.0790 31.7531 177.6899 90 L 4.0099 8.0378 118.6974 58.0602 41.4122 179.8444 91 R 3.9695 8.2912 118.0155 59.2950 29.9406 179.0137 92 E 4.1005 8.3297 118.5122 59.2586 29.4485 179.3304 93 I 3.5097 7.8525 120.0125 64.2393 37.1818 178.4800 94 V 3.4650 7.6392 118.5850 65.9613 31.3910 177.8767 95 A 3.9358 8.0191 120.4397 55.1854 18.2574 179.1148 96 C 2.0000 7.6110 117.6184 62.0753 31.2987 175.9868 97 T 3.7034 7.4841 111.2009 64.4282 67.9325 176.3270 98 K 3.8171 7.7102 121.6696 59.3140 32.3258 178.4702 99 A 3.9928 7.6530 119.8974 53.5158 19.8116 177.6323 100 F 4.7182 7.7672 115.6122 55.0467 39.1280 173.9714 101 P 4.4285 0.0000 0.0000 64.3643 31.8723 177.9186 102 D 4.6198 8.0464 116.3729 53.9070 41.2169 175.6482 103 A 4.7090 7.3656 121.0949 50.6505 20.9297 177.1620 104 Y 4.2021 8.6019 117.8647 57.9258 39.4457 175.3333 105 V 5.2395 8.9320 122.9760 61.1917 35.2700 174.2360 106 R 4.9730 9.4836 123.9275 54.2573 33.0232 173.8409 107 L 4.7938 8.0266 123.6013 53.9883 43.8284 175.7007 108 V 4.8153 8.6716 118.2826 59.5196 36.5350 174.1182 109 A 4.8859 8.0805 121.4416 50.4640 22.7903 175.1618 110 F 5.2363 8.9844 119.6467 55.7800 42.3854 174.1973 111 D 5.3401 8.9249 122.8691 52.7393 42.4106 176.6399 112 N 4.7366 9.1634 122.9116 54.2688 38.4204 176.4123 113 Q 4.1750 8.6139 118.6922 59.0052 28.9672 177.6069 114 K 4.0319 8.3928 114.3181 56.9855 32.9736 176.6106 115 Q 3.3993 8.0842 118.3221 55.9711 27.0271 172.7408 116 V 4.5203 7.8317 117.5517 59.9766 35.0492 174.2959 117 Q 4.3735 8.7471 123.2269 56.5642 29.3449 175.5647 118 I 4.2706 8.2022 124.2946 61.0602 40.0570 174.3429 119 M 4.6236 6.7753 117.5122 54.3010 34.5752 173.6864 120 G 4.8386 8.2520 106.4331 47.1760 0.0000 172.3567 121 F 5.0305 7.1113 116.0513 55.2921 41.1389 172.7981 122 L 4.5407 8.8016 122.8083 55.5283 41.9767 176.7674 123 V 4.4798 8.8966 118.3959 61.5231 34.1274 175.7677 124 Q 4.5677 7.7943 121.2442 54.2944 32.4680 173.3813 125 R 4.2960 8.0971 121.7832 52.8767 32.5591 173.5476 126 P 4.1420 0.0000 0.0000 62.8463 31.5492 177.3988 127 K 4.1889 8.4516 119.7904 59.0348 32.7910 177.8959 128 S 4.3097 7.9412 112.8577 59.2977 63.6195 174.2661 129 A 4.3353 7.7736 126.0275 52.6748 18.3895 177.3542 130 R 4.7068 8.7166 118.5836 56.0137 30.5001 175.0325 131 D 4.9420 8.6538 116.1750 53.2789 39.7122 175.3264 132 W 5.6012 7.7170 114.8858 55.4145 31.3560 173.8878 133 Q 4.3163 8.4356 117.5347 52.8759 31.2690 174.1928 134 P 4.5025 0.0000 0.0000 62.3846 31.8910 176.9697 135 A 3.9902 8.8809 122.8693 55.5778 18.2011 179.0620 136 N 4.7332 8.0532 109.2734 53.5049 37.7720 175.4302 137 K 4.4376 7.6967 117.1511 56.3729 33.0367 177.3724 138 R 3.5788 7.5592 119.5547 57.8736 30.1196 176.6134 139 S 5.0388 7.4036 110.1994 56.4160 66.1875 174.2351 140 V 3.9907 8.5104 114.2751 61.7938 32.3481 175.5369 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 M 8.30 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.46 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 V 8.30 4.39 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 1.10 0.00 0.00 0.97 0.00 0.00 4 W 8.96 4.59 0.00 3.46 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 5 T 8.14 4.01 4.09 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 1.14 0.00 0.00 6 P 0.00 4.55 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.75 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 7 V 7.26 4.30 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 0.79 0.00 0.00 0.91 0.00 0.00 8 N 8.45 4.67 0.00 2.69 2.82 0.00 0.00 6.65 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.21 5.06 0.00 2.68 2.68 0.00 0.00 7.26 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 10 K 8.41 4.06 0.00 1.98 1.57 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.42 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.34 1.45 7.81 11 M 8.28 4.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 12 F 8.29 4.59 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 13 E 8.44 3.48 0.00 2.14 1.73 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 2.21 2.14 0.00 14 T 8.36 3.91 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 0.22 0.00 0.00 15 F 9.07 4.55 0.00 3.30 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 16 S 8.24 4.47 0.00 4.15 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 0.00 17 Y 8.26 4.39 0.00 3.04 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 18 L 7.60 4.67 0.00 1.80 1.61 0.82 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.45 0.00 2.04 2.02 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 20 P 0.00 4.27 0.00 2.06 2.02 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 21 L 8.33 4.02 0.00 1.59 1.49 0.33 0.55 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 22 T 8.20 4.18 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 1.19 0.00 0.00 23 D 8.56 4.33 0.00 2.70 2.77 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 24 E 8.13 3.94 0.00 2.01 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 0.00 2.35 2.39 0.00 25 Q 8.02 3.93 0.00 2.28 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 8.04 3.71 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.88 1.08 0.00 0.00 27 A 8.40 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 28 A 8.08 3.96 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 29 Q 8.07 4.10 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.89 0.00 30 V 8.19 3.76 2.30 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 1.14 0.00 0.00 1.09 0.00 0.00 31 D 8.48 4.42 0.00 2.98 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 32 Y 8.08 4.21 0.00 3.23 3.33 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 33 I 7.97 3.91 2.17 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 1.70 1.00 1.06 0.00 0.00 34 V 7.80 3.50 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 0.99 0.00 0.00 0.98 0.00 0.00 35 A 8.07 3.91 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 36 N 7.13 4.06 0.00 1.44 1.42 0.00 0.00 7.05 8.77 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 37 G 7.35 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 0.00 0.00 0.00 38 W 7.50 4.95 0.00 3.36 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 39 I 8.79 4.36 2.11 0.00 0.00 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 1.47 0.89 0.72 0.00 0.00 40 P 0.00 4.89 0.00 2.09 1.98 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.88 4.98 0.00 3.06 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 42 L 8.75 5.32 0.00 1.86 1.62 0.85 0.78 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 43 E 9.24 5.64 0.00 2.06 2.06 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 2.37 2.33 0.00 44 F 9.10 5.61 0.00 3.06 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 45 A 8.22 4.51 -0.21 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 0.00 0.00 46 E 8.59 4.28 0.00 2.18 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 0.00 2.29 2.27 0.00 47 A 8.84 4.26 1.50 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 0.00 0.00 0.00 48 D 8.16 4.50 0.00 2.70 2.77 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 49 K 7.99 4.60 0.00 1.50 1.69 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.42 7.81 50 A 7.65 3.89 0.50 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 0.00 0.00 0.00 51 Y 7.40 4.70 0.00 2.92 2.74 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 52 V 8.35 3.82 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 0.56 0.00 0.00 0.75 0.00 0.00 53 S 8.95 4.73 0.00 4.04 4.05 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 54 N 8.58 5.29 0.00 2.77 2.85 0.00 0.00 6.57 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 55 E 8.32 3.98 0.00 2.15 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 2.39 2.37 0.00 56 S 8.81 3.98 0.00 3.90 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 57 A 7.62 2.58 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 58 I 6.92 3.57 1.78 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 1.47 0.81 0.87 0.00 0.00 59 R 7.59 4.26 0.00 1.81 1.98 0.00 3.18 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 60 F 7.12 5.11 0.00 3.04 2.77 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 61 G 8.25 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 62 S 8.44 4.62 0.00 3.86 3.86 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 63 V 7.30 4.42 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 0.66 0.00 0.00 0.46 0.00 0.00 64 S 8.17 4.50 0.00 4.15 4.31 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 65 C 8.07 3.96 0.00 2.95 2.95 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 66 L 8.43 3.56 0.00 1.78 1.76 0.94 0.99 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 67 Y 7.74 4.31 0.00 2.94 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 68 Y 7.17 4.89 0.00 2.80 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 69 D 8.86 4.51 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 70 N 8.88 4.47 0.00 3.07 3.26 0.00 0.00 6.99 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 71 R 8.03 3.96 0.00 1.53 1.68 0.00 3.10 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 72 Y 7.68 4.36 0.00 3.05 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 73 W 8.66 5.10 0.00 3.09 3.16 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 0.00 0.00 0.00 74 T 8.21 4.27 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 0.89 0.00 0.00 75 M 8.51 4.49 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 76 W 9.52 4.79 0.00 3.68 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 77 K 8.51 3.41 0.00 1.66 0.74 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.85 0.21 7.81 78 L 8.28 4.93 0.00 1.61 1.59 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.32 0.00 0.66 1.85 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 80 M 8.69 4.30 0.00 2.04 2.01 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 2.61 2.54 0.00 81 F 7.28 4.46 0.00 3.11 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 82 G 9.15 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 83 C 7.93 4.28 0.00 3.05 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 84 R 8.64 4.56 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 85 D 7.79 4.82 0.00 2.64 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 86 P 0.00 4.32 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.24 4.10 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 7.91 3.97 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.74 3.59 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 8.04 4.01 0.00 1.91 1.72 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.29 3.97 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.33 4.10 0.00 2.24 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 0.00 2.60 2.67 0.00 93 I 7.85 3.51 1.99 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 1.33 0.97 0.84 0.00 0.00 94 V 7.64 3.47 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 0.97 0.00 0.00 0.97 0.00 0.00 95 A 8.02 3.94 1.54 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 96 C 7.61 2.00 0.00 1.23 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 97 T 7.48 3.70 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 1.11 0.00 0.00 98 K 7.71 3.82 0.00 1.83 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.65 3.99 1.23 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 0.00 0.00 100 F 7.77 4.72 0.00 2.79 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 0.00 101 P 0.00 4.43 0.00 2.12 2.11 0.00 3.30 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.05 4.62 0.00 2.69 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 0.00 103 A 7.37 4.71 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 0.00 104 Y 8.60 4.20 0.00 2.50 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 0.00 105 V 8.93 5.24 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 0.96 0.00 0.00 0.86 0.00 0.00 106 R 9.48 4.97 0.00 1.83 1.92 0.00 2.36 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 107 L 8.03 4.79 0.00 1.54 0.83 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.67 4.82 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 0.46 0.00 0.00 0.49 0.00 0.00 109 A 8.08 4.89 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 0.00 110 F 8.98 5.24 0.00 3.00 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 0.00 111 D 8.92 5.34 0.00 2.37 2.45 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 0.00 112 N 9.16 4.74 0.00 2.94 3.05 0.00 0.00 6.32 7.39 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 0.00 113 Q 8.61 4.17 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.39 4.03 0.00 1.75 1.86 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.08 3.40 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.83 4.52 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 0.62 0.00 0.00 0.91 0.00 0.00 117 Q 8.75 4.37 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 118 I 8.20 4.27 1.25 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 -0.30 0.38 -0.49 0.00 0.00 119 M 6.78 4.62 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.78 0.00 120 G 8.25 4.84 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 0.00 0.00 0.00 121 F 7.11 5.03 0.00 3.24 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 0.00 122 L 8.80 4.54 0.00 1.56 1.58 0.67 0.36 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 0.00 123 V 8.90 4.48 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 0.64 0.00 0.00 0.88 0.00 0.00 124 Q 7.79 4.57 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 125 R 8.10 4.30 0.00 1.13 1.44 0.00 2.21 0.00 0.00 2.70 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.22 0.00 126 P 0.00 4.14 0.00 2.11 2.18 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 127 K 8.45 4.19 0.00 1.90 1.99 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 S 7.94 4.31 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 0.00 129 A 7.77 4.34 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.72 4.71 0.00 1.85 1.96 0.00 3.24 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 131 D 8.65 4.94 0.00 2.96 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 0.00 132 W 7.72 5.60 0.00 3.64 3.19 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 0.00 133 Q 8.44 4.32 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 134 P 0.00 4.50 0.00 2.31 2.09 0.00 3.39 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.88 3.99 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 0.00 136 N 8.05 4.73 0.00 2.83 2.94 0.00 0.00 5.83 7.13 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 0.00 137 K 7.70 4.44 0.00 1.58 1.67 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.56 3.58 0.00 1.46 0.66 0.00 3.10 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.57 0.00 139 S 7.40 5.04 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 0.00 140 V 8.51 3.99 2.05 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 0.60 0.00 0.00 0.90 0.00 0.00