NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9557 8.3549 109.7347 45.3799 0.0000 175.4285 17 I 3.6455 8.5707 123.5644 63.6069 37.8152 175.2321 18 T 4.1894 7.7011 117.1747 62.3651 69.9210 174.7524 19 G 3.8241 7.3590 112.6657 44.8723 0.0000 170.6620 20 T 4.9873 7.6889 116.6265 61.6586 70.4156 174.3602 21 W 5.3413 9.5940 125.7951 55.1228 33.6104 173.8711 22 Y 6.2705 9.3097 118.7791 55.1883 41.6556 174.9849 23 N 5.4854 9.0697 117.7610 50.6016 40.0076 175.2147 24 Q 4.0859 8.5192 114.9158 59.2259 28.6706 176.8356 25 L 4.4455 8.2328 116.5058 54.3642 41.7185 177.1415 26 G 4.0172 8.4247 106.4727 45.6320 0.0000 174.4597 27 S 4.5324 8.3367 115.8843 58.6992 63.9829 173.1666 28 T 5.2758 8.9483 119.7316 62.0129 71.0233 173.4502 29 F 5.0455 9.8467 125.1375 55.8013 42.1171 174.2775 30 I 4.8408 8.9730 126.2649 59.5801 39.0144 175.1827 31 V 4.7716 8.4138 126.7932 59.9928 34.8999 174.6147 32 T 4.9028 9.0379 120.3821 61.6714 71.2574 172.8421 33 A 4.7992 8.9341 128.9896 50.4148 20.1310 177.3020 34 G 3.8696 10.0996 112.7454 44.4520 0.0000 174.5652 35 A 3.9792 8.7158 124.4452 54.7584 18.3774 178.2856 36 D 4.5848 8.1718 112.9764 53.2371 39.8971 177.2567 37 G 3.1484 8.5920 108.1912 45.2332 0.0000 173.1517 38 A 4.7021 8.2275 121.8225 51.1783 20.4741 176.9389 39 L 5.2398 8.8970 120.8009 53.1840 44.7738 175.9417 40 T 4.9651 9.3810 113.1430 59.3932 72.6810 174.7312 41 G 3.7497 6.9287 108.1483 46.6620 0.0000 170.9519 42 T 5.0635 8.3659 115.2450 60.5558 71.7110 173.3591 43 Y 4.5421 9.1438 128.6753 55.7814 41.0075 173.7177 44 E 4.2676 9.0845 128.8647 54.6350 31.0283 176.2123 45 S 3.8679 8.3778 122.2208 60.8362 62.7353 174.1043 46 A 4.5986 7.2652 119.7774 50.0595 20.7839 177.1833 47 V 3.7058 7.9648 120.7619 65.4505 30.2536 174.5766 48 G 3.8148 8.3335 117.5906 45.4709 0.0000 172.0351 49 N 3.9218 8.2347 118.0263 53.5742 39.3391 175.2138 50 A 4.1082 8.4233 127.6203 53.8620 19.4660 178.8449 51 E 3.7153 7.9602 114.6372 58.4536 29.9218 177.3232 52 S 4.9521 7.3886 114.6281 58.1877 63.7021 173.6584 53 R 5.0100 7.5508 120.3095 55.9234 32.2145 174.4655 54 Y 4.9328 8.7143 122.5875 56.0625 42.5798 174.7077 55 V 4.2539 8.6852 123.2324 62.6812 32.3485 175.0470 56 L 5.1860 8.7529 127.4582 54.5440 43.9078 175.1403 57 T 4.8259 8.5585 113.4011 61.5737 71.5403 173.1176 58 G 4.2212 8.9405 113.1047 46.2784 0.0000 171.8585 59 R 5.6225 8.6496 116.9714 54.9472 34.8536 174.1718 60 Y 5.3429 8.4029 119.1784 55.6754 42.1042 174.5317 61 D 4.4633 8.9102 119.5854 52.8782 40.0238 176.7972 62 S 4.2652 8.0366 121.0738 59.8402 63.4184 174.9836 63 A 4.6116 8.0588 123.9057 49.3693 18.6810 173.7576 64 P 4.8216 0.0000 0.0000 61.1321 32.5098 177.1745 65 A 4.2112 8.3705 122.3573 52.9327 18.7982 177.4712 66 T 4.5164 8.3718 107.8744 61.6477 69.0205 174.5761 67 D 4.7129 8.1759 119.5271 53.5656 39.5071 177.2535 68 G 4.0026 8.2834 107.7682 45.5551 0.0000 174.6485 69 S 4.2230 7.9872 115.8732 58.3017 63.3386 174.7593 70 G 3.9599 8.3707 110.5864 46.4690 0.0000 172.0929 71 T 4.8257 9.0651 116.7311 61.5043 70.5437 174.6300 72 A 4.7741 8.6734 129.2971 52.0597 20.0884 175.9003 73 L 5.1078 8.9157 120.6119 55.1749 44.8986 174.5931 74 G 5.0405 8.9392 104.2845 45.5378 0.0000 172.3065 75 W 5.8510 8.2026 117.6138 55.7111 31.9805 173.1750 76 T 5.5058 9.5259 117.1304 61.9462 72.3587 173.4647 77 V 4.5190 8.9367 123.6448 61.1359 34.5502 173.9403 78 A 4.3497 8.4200 130.1116 50.3136 19.9836 178.1723 79 F 3.7886 8.5325 124.4980 55.4821 37.3623 174.5763 80 K 5.1603 7.7955 121.1151 55.1633 35.0158 174.2730 81 N 5.1103 8.9882 124.9703 51.6113 39.8961 174.3129 82 N 3.9225 8.6384 113.7451 56.1767 38.8061 175.3312 83 Y 4.5618 7.4077 114.1767 58.7364 39.6370 176.0578 84 R 4.7247 8.8192 115.0698 54.1258 32.5238 173.9349 85 N 5.1439 8.5659 116.5000 52.0228 40.3374 173.9079 86 A 4.2483 9.1578 129.0529 52.3016 19.3448 176.4944 87 H 4.1908 8.7757 113.2129 56.1501 27.0435 174.2368 88 S 5.2338 7.7403 110.4128 57.2031 66.9011 172.6248 89 A 5.0369 9.0574 121.6499 50.7418 22.8023 175.1939 90 T 5.0069 8.7292 118.0476 61.7117 72.2153 173.2185 91 T 5.0973 8.5902 115.4838 59.7007 71.8969 172.6601 92 W 5.1055 8.9221 125.1329 54.8827 31.5606 174.8267 93 S 4.9515 9.3267 119.6216 56.3413 65.1356 173.8623 94 G 3.7757 7.7997 112.6281 46.0332 0.0000 171.3554 95 Q 5.1174 7.8701 116.3909 54.7026 32.6608 173.6273 96 Y 4.6820 9.2203 123.1229 57.2093 40.6757 174.4014 97 V 4.1744 7.8950 125.8147 60.9818 33.8509 174.6974 98 G 3.9441 7.8700 124.1870 45.4008 0.0000 169.9873 99 G 4.0700 8.5635 109.3997 44.4780 0.0000 172.8651 100 A 4.5709 7.7409 124.4655 52.4217 26.1291 177.9048 101 E 3.7724 8.5545 115.7863 57.4421 29.9427 176.9411 102 A 4.2843 7.9177 114.5744 52.2416 16.2834 175.5871 103 R 5.2088 8.0376 120.2575 55.0512 35.2559 174.4451 104 I 4.8525 8.5146 122.2149 59.7755 40.0399 174.2170 105 N 5.2990 8.7540 125.2200 51.9328 40.4482 174.4926 106 T 5.1971 9.1983 113.4160 60.2258 73.2935 172.5325 107 Q 5.1700 9.1615 120.8767 53.8374 32.2582 174.9724 108 W 5.4027 8.5244 118.8019 54.6619 32.4139 173.9898 109 L 5.1840 8.7180 119.7924 53.0230 45.0210 175.2453 110 L 5.0106 9.0954 126.5723 53.7063 44.2593 175.0485 111 T 5.1981 8.9127 123.4449 61.9777 71.4019 173.5956 112 S 5.0269 8.8026 121.3821 56.2192 65.6054 174.4283 113 G 3.8289 8.6709 112.2461 46.8050 0.0000 172.8714 114 T 4.7943 8.3120 114.3921 59.4327 72.3510 173.1779 115 T 4.1008 8.0145 111.2032 61.0803 69.5451 175.4230 116 E 3.9747 8.6640 121.4445 59.3299 29.6568 178.7363 117 A 4.2373 7.7584 121.2842 54.3105 18.8980 177.7913 118 N 4.8092 7.9205 112.3292 53.0359 39.2054 176.8471 119 A 4.1173 8.2470 123.9014 53.9858 18.6332 180.3589 120 W 4.4778 8.1931 111.8994 58.0674 28.3747 176.6048 121 K 4.3265 6.8138 118.8459 56.4731 32.2371 176.9619 122 S 4.4141 7.7697 114.2757 59.7443 63.9232 173.1846 123 T 5.1399 7.6253 117.5514 61.8851 71.0554 173.5326 124 L 4.7806 9.1271 127.1539 53.5066 44.1253 176.0176 125 V 4.3988 7.6907 119.6744 60.2611 34.6594 174.7644 126 G 3.2672 6.1919 107.7554 45.6971 0.0000 171.1838 127 H 5.5027 8.3628 114.4759 53.7562 31.1882 172.8286 128 D 5.2574 9.2363 120.7393 52.8579 44.9394 174.7887 129 T 5.0802 9.1319 118.6883 61.8209 71.9391 173.1041 130 F 5.2994 9.6383 124.1642 56.0542 42.4106 174.4818 131 T 4.8526 8.4831 118.4537 61.5336 71.4254 174.6123 132 K 3.5194 8.4033 125.2586 56.3926 32.1546 176.2762 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 16 G 8.35 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 17 I 8.57 3.65 1.41 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.17 0.55 0.00 0.00 18 T 7.70 4.19 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 1.22 0.00 0.00 19 G 7.36 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 20 T 7.69 4.99 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 1.28 0.00 0.00 21 W 9.59 5.34 0.00 3.22 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 22 Y 9.31 6.27 0.00 3.21 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 23 N 9.07 5.49 0.00 2.53 2.04 0.00 0.00 6.49 7.30 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 24 Q 8.52 4.09 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.30 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.23 4.45 0.00 1.76 1.79 1.00 0.98 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 26 G 8.42 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 27 S 8.34 4.53 0.00 4.36 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 28 T 8.95 5.28 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 1.27 0.00 0.00 29 F 9.85 5.05 0.00 2.75 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 30 I 8.97 4.84 1.83 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 1.30 1.00 0.89 0.00 0.00 31 V 8.41 4.77 1.69 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 0.72 0.00 0.00 0.65 0.00 0.00 32 T 9.04 4.90 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 1.18 0.00 0.00 33 A 8.93 4.80 0.68 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 0.00 0.00 34 G 10.10 3.87 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 0.00 0.00 0.00 35 A 8.72 3.98 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.17 4.58 0.00 2.77 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 37 G 8.59 3.15 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 0.00 0.00 0.00 38 A 8.23 4.70 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 39 L 8.90 5.24 0.00 1.78 1.58 0.71 0.53 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 40 T 9.38 4.97 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 1.22 0.00 0.00 41 G 6.93 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 42 T 8.37 5.06 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 1.15 0.00 0.00 43 Y 9.14 4.54 0.00 2.72 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 44 E 9.08 4.27 0.00 1.96 1.59 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 2.42 2.08 0.00 45 S 8.38 3.87 0.00 4.07 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 0.00 46 A 7.27 4.60 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 47 V 7.96 3.71 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 0.76 0.00 0.00 0.88 0.00 0.00 48 G 8.33 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 49 N 8.23 3.92 0.00 2.70 2.70 0.00 0.00 6.88 8.15 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 50 A 8.42 4.11 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 51 E 7.96 3.72 0.00 1.85 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 0.00 1.83 2.07 0.00 52 S 7.39 4.95 0.00 3.93 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 0.00 53 R 7.55 5.01 0.00 1.83 1.72 0.00 3.15 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 54 Y 8.71 4.93 0.00 3.22 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 55 V 8.69 4.25 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.75 5.19 0.00 1.97 1.70 0.55 -0.08 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 57 T 8.56 4.83 4.27 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 1.26 0.00 0.00 58 G 8.94 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 0.00 0.00 0.00 59 R 8.65 5.62 0.00 1.77 1.78 0.00 3.29 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.40 5.34 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 61 D 8.91 4.46 0.00 2.82 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 62 S 8.04 4.27 0.00 3.94 3.64 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 63 A 8.06 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 64 P 0.00 4.82 0.00 2.26 2.17 0.00 3.44 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 65 A 8.37 4.21 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.37 4.52 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 67 D 8.18 4.71 0.00 2.78 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 68 G 8.28 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 0.00 0.00 0.00 69 S 7.99 4.22 0.00 3.94 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 70 G 8.37 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 71 T 9.07 4.83 4.53 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 1.45 0.00 0.00 72 A 8.67 4.77 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 73 L 8.92 5.11 0.00 1.87 1.88 1.00 0.42 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 74 G 8.94 5.04 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 75 W 8.20 5.85 0.00 3.50 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 76 T 9.53 5.51 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 1.26 0.00 0.00 77 V 8.94 4.52 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 0.30 0.00 0.00 0.98 0.00 0.00 78 A 8.42 4.35 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 79 F 8.53 3.79 0.00 3.02 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 80 K 7.80 5.16 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 81 N 8.99 5.11 0.00 2.85 2.69 0.00 0.00 6.55 6.57 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 82 N 8.64 3.92 0.00 1.44 1.80 0.00 0.00 6.66 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 83 Y 7.41 4.56 0.00 2.85 2.99 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 84 R 8.82 4.72 0.00 2.01 2.08 0.00 2.97 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 1.88 1.90 0.00 85 N 8.57 5.14 0.00 2.64 2.63 0.00 0.00 6.98 7.96 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 86 A 9.16 4.25 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 87 H 8.78 4.19 0.00 3.35 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.74 5.23 0.00 4.00 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 89 A 9.06 5.04 1.17 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 0.00 0.00 90 T 8.73 5.01 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 -0.20 0.00 0.00 91 T 8.59 5.10 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 1.21 0.00 0.00 92 W 8.92 5.11 0.00 1.86 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 0.00 0.00 0.00 93 S 9.33 4.95 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 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 0.00 0.00 0.00 95 Q 7.87 5.12 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 96 Y 9.22 4.68 0.00 2.99 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 97 V 7.90 4.17 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 0.81 0.00 0.00 0.86 0.00 0.00 98 G 7.87 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 99 G 8.56 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 0.00 0.00 0.00 100 A 7.74 4.57 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 0.00 101 E 8.55 3.77 0.00 1.93 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 2.30 2.39 0.00 102 A 7.92 4.28 1.45 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 0.00 103 R 8.04 5.21 0.00 1.69 1.81 0.00 3.29 0.00 0.00 3.68 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 104 I 8.51 4.85 1.67 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.87 0.00 0.00 105 N 8.75 5.30 0.00 2.67 2.76 0.00 0.00 6.05 7.18 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 0.00 106 T 9.20 5.20 4.44 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 1.18 0.00 0.00 107 Q 9.16 5.17 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 108 W 8.52 5.40 0.00 2.67 2.39 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 0.00 109 L 8.72 5.18 0.00 1.54 1.54 0.88 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.10 5.01 0.00 1.75 1.72 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.91 5.20 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 1.20 0.00 0.00 112 S 8.80 5.03 0.00 3.64 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 0.00 113 G 8.67 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 0.00 0.00 0.00 114 T 8.31 4.79 4.16 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 1.22 0.00 0.00 115 T 8.01 4.10 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 1.20 0.00 0.00 116 E 8.66 3.97 0.00 2.00 2.09 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 2.33 2.27 0.00 117 A 7.76 4.24 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 0.00 118 N 7.92 4.81 0.00 2.59 2.53 0.00 0.00 6.76 8.97 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 0.00 119 A 8.25 4.12 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 0.00 120 W 8.19 4.48 0.00 3.59 3.24 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 0.00 121 K 6.81 4.33 0.00 1.27 0.86 0.00 1.05 0.00 0.00 1.23 0.00 0.00 2.53 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.21 7.81 122 S 7.77 4.41 0.00 4.17 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 0.00 123 T 7.63 5.14 4.23 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 1.25 0.00 0.00 124 L 9.13 4.78 0.00 1.85 1.70 1.01 0.52 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 0.00 125 V 7.69 4.40 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 0.52 0.00 0.00 0.63 0.00 0.00 126 G 6.19 3.27 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 0.00 127 H 8.36 5.50 0.00 3.16 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.24 5.26 0.00 2.98 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 0.00 0.00 0.00 129 T 9.13 5.08 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 1.34 0.00 0.00 130 F 9.64 5.30 0.00 2.84 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 0.00 131 T 8.48 4.85 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 1.14 0.00 0.00 132 K 8.40 3.52 0.00 0.97 1.26 0.00 1.39 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.49 0.21 7.81