NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4055 8.3044 120.3244 54.5844 33.4153 174.7442 2 K 3.8915 8.4117 123.1645 56.0799 32.7993 175.5889 3 K 4.0548 9.4616 127.2448 58.6469 33.3294 175.9902 4 H 4.8839 7.8862 113.0098 54.3934 31.9780 173.5415 5 G 3.9892 8.5715 107.8576 45.2313 0.0000 172.8671 6 I 3.7810 7.9109 118.2699 60.8212 38.4295 175.8432 7 L 4.0355 8.4966 128.9343 57.7890 42.5281 177.5323 8 N 4.4102 8.0865 118.0257 53.2955 39.6910 175.3138 9 S 4.1131 8.6422 123.6189 61.9346 62.6968 176.2372 10 H 4.2535 7.9792 119.3245 58.6589 28.4930 177.6907 11 L 4.0510 8.6628 120.8300 57.5773 41.3275 179.3673 12 A 4.0021 8.1654 120.8800 55.2236 18.0943 179.8810 13 K 3.9565 7.6623 116.0726 59.4385 32.1987 179.5358 14 I 3.9084 7.4307 119.5980 64.4273 37.1382 178.4315 15 L 3.9946 8.2780 119.9194 57.7015 41.1750 179.3086 16 A 4.0426 8.0472 120.0988 55.0378 18.3998 178.5688 17 D 4.6253 7.6112 114.4075 53.6609 41.5889 177.0791 18 L 4.1754 7.3728 121.1702 54.8576 42.2599 176.6298 19 G 4.1866 9.4433 111.6751 42.9814 0.0000 171.5393 20 H 4.2551 8.6092 118.8729 58.1827 29.7425 175.2797 21 T 3.4382 8.6595 116.6029 61.2604 68.3874 171.8686 22 D 4.5830 7.9318 122.6467 54.6031 42.2227 175.4091 23 K 5.2868 8.5825 120.1246 54.6271 35.9031 175.0979 24 I 5.0335 8.4801 115.8097 59.1562 41.5172 174.0769 25 V 4.8928 8.6723 123.1147 61.2933 34.5668 174.1160 26 I 5.0533 8.7945 127.7454 59.6784 39.4323 174.5945 27 A 5.2752 9.3162 128.3789 49.9311 22.9906 175.2407 28 D 5.0692 8.1345 119.1967 52.6147 41.2178 176.8227 29 A 3.9687 8.7871 119.8948 53.9248 17.9668 178.8884 30 G 3.6900 8.6301 103.4365 45.5530 0.0000 174.4019 31 L 3.9541 7.2736 122.2338 54.7449 42.4387 174.8795 32 P 4.4461 0.0000 0.0000 62.3367 32.3018 175.5006 33 V 4.2107 8.0255 120.5061 60.3830 32.9021 173.9409 34 P 4.3878 0.0000 0.0000 62.3883 31.8949 175.5076 35 D 4.5266 8.3986 121.4561 56.0204 41.1046 177.1651 36 G 3.9289 9.1055 112.1945 44.9551 0.0000 173.0185 37 V 4.2122 7.0221 119.1218 60.5540 33.0126 175.0826 38 L 4.1118 8.4094 129.2277 55.1503 43.2579 175.0812 39 K 4.9218 8.6547 127.0295 54.7248 34.4121 174.8524 40 I 4.3543 8.7635 128.8820 59.6860 39.5567 174.2354 41 D 5.0487 8.7385 127.9669 53.0184 41.5185 175.7856 42 L 4.6500 8.7619 126.4367 54.7990 42.6140 177.7879 43 S 4.4172 8.1667 114.2638 58.7152 63.4051 173.5913 44 L 4.5358 8.8068 123.6099 56.1982 43.9821 176.2558 45 K 4.3386 7.5971 114.4218 54.9245 34.7629 172.3669 46 P 3.8761 0.0000 0.0000 64.5322 31.1381 177.1647 47 G 3.9310 9.9254 112.9807 44.9677 0.0000 172.8868 48 L 4.8085 8.2529 120.2660 52.2696 45.1212 174.5848 49 P 4.8975 0.0000 0.0000 61.9591 33.6010 175.4031 50 A 4.6570 8.3512 122.0048 51.3996 19.9320 178.3514 51 F 4.1346 9.6336 122.0628 61.7269 39.4118 177.7563 52 Q 3.0728 7.9594 116.8458 58.8040 28.4899 178.5859 53 D 4.3178 7.8467 119.1100 57.6769 40.9417 178.8551 54 T 3.8290 7.8558 115.8900 66.6746 68.5050 176.6390 55 A 3.9986 8.0611 122.6371 54.9419 18.1803 179.5993 56 A 3.9160 8.1265 119.4155 55.2815 18.3790 180.0171 57 V 3.5580 7.6976 116.5616 66.2190 31.6540 178.2524 58 L 4.0195 7.9916 118.5119 57.7980 41.2345 179.3869 59 A 4.1731 7.9577 119.8085 55.0231 18.3173 178.8797 60 E 4.0740 7.8926 117.0623 58.1777 29.9636 177.5506 61 E 4.5340 7.9044 116.9166 55.3855 30.6629 174.9953 62 M 4.6873 7.6852 117.9886 53.2372 35.3883 174.3198 63 A 4.3487 8.5379 127.1607 51.5463 19.7882 176.0870 64 V 4.8396 8.4655 122.9409 61.8739 32.5401 175.2568 65 E 4.5249 9.0560 125.5943 57.0934 31.5627 175.5306 66 K 4.8232 7.5865 120.0191 55.2382 35.9180 174.1743 67 V 4.6769 8.7302 125.7079 61.0331 34.8093 174.1822 68 I 5.0175 8.6136 127.1132 59.6202 40.6809 174.4121 69 A 4.8972 8.6732 126.2226 50.2767 23.4197 175.0051 70 A 4.7084 8.0625 121.8482 51.3553 19.7082 178.6768 71 A 3.9464 9.3887 125.8054 55.5772 18.3410 179.9046 72 E 3.6023 8.0097 116.1214 59.2415 29.3447 179.2502 73 I 3.6986 7.7231 119.1441 63.8569 37.7847 177.9682 74 K 3.9880 7.8460 118.3066 58.4400 31.7923 178.5992 75 A 4.2979 7.5515 119.8289 54.0855 19.5332 178.5587 76 S 4.6512 7.4174 109.7423 57.8746 64.8856 174.7773 77 N 4.8316 7.9076 118.2712 51.3546 40.4322 174.8369 78 Q 4.0105 8.0477 123.1413 59.4759 29.6296 176.8906 79 E 4.0094 8.2471 118.9701 59.9568 29.6337 179.1753 80 N 4.6274 8.2241 115.2477 56.0048 38.7424 177.3411 81 A 4.1967 7.9760 122.4348 55.0546 18.3930 179.8811 82 K 4.0000 8.4369 117.1689 59.5233 32.1869 179.1406 83 F 4.1059 8.2821 120.8435 61.4052 39.2418 176.9431 84 L 4.1443 8.4053 119.6623 58.4472 41.7622 178.8295 85 E 4.1197 8.0657 117.0712 59.3347 29.4156 178.9970 86 N 4.4132 8.2639 116.1546 56.2161 38.8156 176.7719 87 L 3.6294 7.7103 120.4590 57.1252 42.8112 178.5455 88 F 5.3369 8.1436 119.1058 55.8377 38.9438 177.8344 89 S 4.2807 8.0291 114.6434 61.4624 63.2224 175.5819 90 E 4.1423 8.0942 119.0314 58.3328 29.9063 176.7525 91 Q 4.4859 7.7236 117.3254 54.6922 31.0415 174.8153 92 E 4.4192 8.2276 122.6560 56.1553 30.8621 175.3268 93 I 4.7739 8.3917 127.5711 59.5157 39.6007 174.3335 94 E 4.6613 8.8618 128.5210 54.4682 32.2134 173.9280 95 Y 5.2916 8.6364 123.7824 56.4692 40.0573 174.7822 96 L 5.1243 8.7910 122.9035 52.3529 46.6814 176.2170 97 S 4.5611 8.5357 114.0976 58.2918 63.8894 174.7364 98 H 4.1974 9.0694 121.4379 59.6272 29.4176 177.6370 99 E 3.9844 8.2238 119.8357 59.5371 29.4490 178.9803 100 E 3.9865 8.0644 118.1476 59.2012 29.2784 178.9504 101 F 4.0484 8.2609 119.8641 61.5452 39.7073 176.9533 102 K 4.0344 8.3517 117.8447 59.4630 31.9054 179.2414 103 L 3.9493 7.7299 118.7078 57.9270 41.7027 179.6710 104 L 3.9916 7.9271 118.8027 57.5824 41.5023 179.3873 105 T 3.8595 7.3794 109.0089 63.8528 68.3916 176.5488 106 K 4.0409 7.7387 120.7931 58.6894 32.0705 177.6730 107 D 4.6824 7.5435 116.4480 53.0783 41.4411 176.5529 108 A 4.3410 6.9477 122.9815 51.9561 19.0026 178.1653 109 K 4.2889 9.0173 119.7216 58.8074 32.8577 177.0737 110 A 4.6026 7.3690 118.9163 51.2341 22.6298 175.0850 111 V 4.6458 8.5277 119.5839 61.1893 34.6376 174.4655 112 I 4.7210 9.2243 130.0578 59.8730 38.8579 174.6777 113 R 4.6992 9.0693 129.8776 55.7845 31.2624 176.1121 114 T 4.8551 8.7894 117.8945 60.1990 71.6283 174.5481 115 G 4.1469 8.7119 106.7743 46.1722 0.0000 173.0927 116 E 4.4620 8.2741 122.8032 55.9502 30.5611 177.7832 117 F 5.0606 8.8333 129.1718 57.6473 39.7217 175.8294 118 T 4.6877 7.5178 108.8321 58.7259 71.6302 171.9279 119 P 3.8945 0.0000 0.0000 64.3591 31.7742 175.4954 120 Y 3.5155 7.6395 117.5104 59.0966 35.7189 171.5520 121 A 3.9177 7.1282 120.3474 50.5924 16.5314 177.0740 122 N 5.7200 7.2843 117.3491 51.3060 43.6415 174.7745 123 C 5.2106 9.3314 114.7125 57.5572 33.8147 172.5062 124 I 4.9224 9.1477 121.9697 59.7559 39.3749 174.4578 125 L 4.6988 8.7905 127.4675 53.0850 43.8750 175.1069 126 Q 4.8616 8.6629 125.8343 54.0815 30.8342 174.6220 127 A 4.4301 9.1250 129.8352 52.5801 19.5690 177.1602 128 G 4.6596 9.1388 111.7255 44.7988 0.0000 173.1575 129 V 4.4576 7.9830 118.2894 59.8096 34.0014 175.4011 130 L 4.3872 8.3899 120.9407 55.3143 41.9677 176.9924 131 F 4.4903 7.0224 119.4965 57.1140 37.7645 174.1379 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 4.41 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 8.41 3.89 0.00 1.78 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.52 7.81 3 K 9.46 4.05 0.00 1.52 1.45 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 4 H 7.89 4.88 0.00 3.12 3.17 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.57 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 6 I 7.91 3.78 1.89 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 1.31 0.87 0.97 0.00 0.00 7 L 8.50 4.04 0.00 1.63 1.68 0.92 0.97 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 8 N 8.09 4.41 0.00 2.80 2.70 0.00 0.00 6.96 7.63 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 9 S 8.64 4.11 0.00 4.03 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 10 H 7.98 4.25 0.00 3.35 3.37 0.00 5.62 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 11 L 8.66 4.05 0.00 1.70 1.74 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.17 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 3.96 0.00 1.86 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.69 7.81 14 I 7.43 3.91 2.03 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 1.75 0.95 0.92 0.00 0.00 15 L 8.28 3.99 0.00 1.69 1.74 0.94 1.22 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 16 A 8.05 4.04 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.61 4.63 0.00 2.64 2.73 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 0.00 0.00 0.00 18 L 7.37 4.18 0.00 1.78 1.63 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.44 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 20 H 8.61 4.26 0.00 3.02 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.66 3.44 4.13 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 0.88 0.00 0.00 22 D 7.93 4.58 0.00 2.72 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 23 K 8.58 5.29 0.00 1.61 1.60 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.51 7.81 24 I 8.48 5.03 1.89 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 1.12 0.85 0.91 0.00 0.00 25 V 8.67 4.89 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 0.86 0.00 0.00 26 I 8.79 5.05 2.09 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 1.22 0.68 0.98 0.00 0.00 27 A 9.32 5.28 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 28 D 8.13 5.07 0.00 2.75 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 29 A 8.79 3.97 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 30 G 8.63 3.69 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 0.00 0.00 0.00 31 L 7.27 3.95 0.00 1.55 1.65 1.14 1.12 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 32 P 0.00 4.45 0.00 2.22 2.03 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 33 V 8.03 4.21 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 0.84 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.39 0.00 2.19 1.94 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 35 D 8.40 4.53 0.00 2.66 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 36 G 9.11 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 37 V 7.02 4.21 2.19 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 0.77 0.00 0.00 0.96 0.00 0.00 38 L 8.41 4.11 0.00 1.81 1.68 0.91 0.73 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 39 K 8.65 4.92 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.44 7.81 40 I 8.76 4.35 1.89 0.00 0.00 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 1.09 0.66 0.95 0.00 0.00 41 D 8.74 5.05 0.00 2.69 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 42 L 8.76 4.65 0.00 1.60 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.17 4.42 0.00 4.06 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 44 L 8.81 4.54 0.00 1.51 1.75 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.60 4.34 0.00 1.84 1.81 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.34 7.81 46 P 0.00 3.88 0.00 1.59 0.70 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 47 G 9.93 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 48 L 8.25 4.81 0.00 1.51 1.54 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.90 0.00 2.13 2.18 0.00 3.74 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 2.09 1.99 0.00 50 A 8.35 4.66 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 51 F 9.63 4.13 0.00 3.07 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 52 Q 7.96 3.07 0.00 1.75 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 1.16 2.14 0.00 53 D 7.85 4.32 0.00 2.87 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 54 T 7.86 3.83 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 1.23 0.00 0.00 55 A 8.06 4.00 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 56 A 8.13 3.92 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 57 V 7.70 3.56 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 1.04 0.00 0.00 0.96 0.00 0.00 58 L 7.99 4.02 0.00 1.89 1.78 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.96 4.17 1.21 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 60 E 7.89 4.07 0.00 1.89 2.17 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 2.32 2.39 0.00 61 E 7.90 4.53 0.00 1.97 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 2.42 2.44 0.00 62 M 7.69 4.69 0.00 2.11 1.90 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 2.52 2.48 0.00 63 A 8.54 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 64 V 8.47 4.84 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 0.79 0.00 0.00 1.05 0.00 0.00 65 E 9.06 4.52 0.00 2.07 2.17 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 2.37 2.21 0.00 66 K 7.59 4.82 0.00 1.77 1.56 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.51 7.81 67 V 8.73 4.68 1.81 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 0.73 0.00 0.00 -0.01 0.00 0.00 68 I 8.61 5.02 1.92 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 1.12 0.55 1.07 0.00 0.00 69 A 8.67 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.06 4.71 1.15 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 71 A 9.39 3.95 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 72 E 8.01 3.60 0.00 1.16 1.12 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 1.75 2.04 0.00 73 I 7.72 3.70 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 1.10 0.00 0.00 74 K 7.85 3.99 0.00 1.69 1.71 0.00 1.26 0.00 0.00 1.37 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.03 7.81 75 A 7.55 4.30 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 76 S 7.42 4.65 0.00 4.02 3.97 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 77 N 7.91 4.83 0.00 2.87 2.65 0.00 0.00 6.80 5.98 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 78 Q 8.05 4.01 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 79 E 8.25 4.01 0.00 2.05 2.04 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 2.43 2.38 0.00 80 N 8.22 4.63 0.00 2.74 2.99 0.00 0.00 6.88 7.38 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 81 A 7.98 4.20 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 82 K 8.44 4.00 0.00 2.08 1.94 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.68 7.81 83 F 8.28 4.11 0.00 3.26 3.40 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 0.00 0.00 0.00 0.00 84 L 8.41 4.14 0.00 2.40 2.03 1.36 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.07 4.12 0.00 2.24 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 0.00 2.64 2.65 0.00 86 N 8.26 4.41 0.00 2.67 2.75 0.00 0.00 6.97 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 87 L 7.71 3.63 0.00 0.58 1.07 0.47 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.14 5.34 0.00 3.16 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 89 S 8.03 4.28 0.00 3.97 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 90 E 8.09 4.14 0.00 2.01 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 2.31 2.32 0.00 91 Q 7.72 4.49 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 92 E 8.23 4.42 0.00 1.97 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 2.27 2.28 0.00 93 I 8.39 4.77 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.95 0.53 0.00 0.00 94 E 8.86 4.66 0.00 1.98 1.70 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 2.20 2.27 0.00 95 Y 8.64 5.29 0.00 2.89 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 96 L 8.79 5.12 0.00 1.69 1.60 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.54 4.56 0.00 4.03 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 98 H 9.07 4.20 0.00 3.51 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.22 3.98 0.00 2.06 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 2.46 2.38 0.00 100 E 8.06 3.99 0.00 2.19 2.04 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 2.36 2.49 0.00 101 F 8.26 4.05 0.00 3.03 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 0.00 102 K 8.35 4.03 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.56 7.81 103 L 7.73 3.95 0.00 1.90 1.68 0.91 1.00 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 0.00 104 L 7.93 3.99 0.00 1.62 1.53 0.86 0.36 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 0.00 105 T 7.38 3.86 4.13 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 0.88 0.00 0.00 106 K 7.74 4.04 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.53 7.81 107 D 7.54 4.68 0.00 2.62 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 0.00 108 A 6.95 4.34 1.26 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 0.00 0.00 0.00 109 K 9.02 4.29 0.00 1.60 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.53 7.81 110 A 7.37 4.60 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 0.00 111 V 8.53 4.65 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 1.10 0.00 0.00 0.93 0.00 0.00 112 I 9.22 4.72 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.95 0.00 0.00 113 R 9.07 4.70 0.00 1.90 1.95 0.00 3.09 0.00 0.00 3.64 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 114 T 8.79 4.86 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 1.32 0.00 0.00 115 G 8.71 4.15 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 0.00 116 E 8.27 4.46 0.00 2.24 1.95 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 2.30 2.35 0.00 117 F 8.83 5.06 0.00 2.90 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 0.00 118 T 7.52 4.69 4.32 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 1.30 0.00 0.00 119 P 0.00 3.89 0.00 2.13 1.80 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 120 Y 7.64 3.52 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 0.00 121 A 7.13 3.92 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 0.00 122 N 7.28 5.72 0.00 2.28 2.90 0.00 0.00 7.03 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 0.00 123 C 9.33 5.21 0.00 3.22 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 0.00 124 I 9.15 4.92 1.86 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.83 0.00 0.00 125 L 8.79 4.70 0.00 1.55 1.51 0.99 0.51 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 0.00 126 Q 8.66 4.86 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 127 A 9.13 4.43 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 0.00 128 G 9.14 4.66 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 0.00 0.00 0.00 129 V 7.98 4.46 1.67 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 0.47 0.00 0.00 -0.00 0.00 0.00 130 L 8.39 4.39 0.00 1.83 1.84 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.02 4.49 0.00 3.10 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