NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4799 8.3049 120.3304 55.4852 33.2342 174.3813 2 M 4.4621 8.5832 123.6030 52.9793 34.3372 170.1894 3 V 4.3890 8.2972 122.1859 60.7183 34.3238 174.1452 4 W 4.6006 8.9548 135.0000 57.6148 31.1683 175.2160 5 T 4.2352 8.0952 123.8011 61.3018 67.1088 172.6808 6 P 4.5857 0.0000 0.0000 63.2488 32.2546 175.7748 7 V 4.3264 7.2287 118.0199 60.9392 34.1016 174.8669 8 N 4.6550 8.4793 122.6343 52.7515 37.9622 174.8272 9 N 5.0707 8.2239 125.2776 52.6216 39.7066 174.7231 10 K 4.0408 8.3712 116.4348 56.7038 32.7825 176.7323 11 M 5.0007 8.2857 121.4811 54.1329 35.1269 175.6725 12 F 4.5833 8.3200 116.3757 56.9902 40.9831 175.9867 13 E 3.4922 8.4459 121.9836 57.1459 27.8904 175.2803 14 T 3.8672 8.3499 121.7041 66.4904 68.8485 174.2726 15 F 4.5431 9.0670 124.3597 57.5992 36.6579 176.2169 16 S 4.5227 8.2247 114.5273 60.0359 63.0862 174.3928 17 Y 4.3959 8.2520 117.6237 58.1887 38.2024 175.1959 18 L 4.6659 7.5764 120.4176 52.3158 43.4242 174.6365 19 P 4.4527 0.0000 0.0000 61.8764 31.8028 174.9477 20 P 4.2651 0.0000 0.0000 62.9916 31.7371 176.4084 21 L 4.0226 8.3278 122.9180 54.5905 42.2374 177.8640 22 T 4.2033 8.1945 113.9117 61.2487 70.9800 175.2843 23 D 4.3284 8.5184 120.8233 57.5497 40.7998 178.6705 24 E 3.9263 8.1297 119.2927 59.3728 29.7822 178.8001 25 Q 3.9380 7.9577 118.1596 58.6729 28.7710 178.5493 26 I 3.7190 7.9862 120.8245 64.3965 37.1308 178.1156 27 A 4.0368 8.3596 121.7047 55.3771 18.1714 179.5361 28 A 3.9634 8.1128 119.0376 55.4173 18.4135 179.9424 29 Q 4.0931 8.0722 116.2632 59.0824 28.7836 179.0619 30 V 3.7492 8.1849 119.3981 66.1584 31.5273 177.7211 31 D 4.4290 8.5579 119.0195 57.5528 40.5477 178.2337 32 Y 4.1765 8.0959 119.9302 60.7034 38.8249 178.0326 33 I 3.9110 7.9521 120.7245 64.6584 37.3022 178.6467 34 V 3.5220 7.8273 118.6332 65.9176 31.1660 177.7746 35 A 3.9149 8.0477 119.8295 54.7561 18.2427 178.3969 36 N 4.0836 7.1375 111.7853 52.1590 38.7367 175.7344 37 G 3.7410 7.2981 108.3479 46.0894 0.0000 174.0392 38 W 4.9699 7.4911 118.8743 55.9538 30.8248 176.3310 39 I 4.3797 8.9376 123.1726 59.5641 37.8097 174.0754 40 P 4.8897 0.0000 0.0000 62.9239 32.7825 175.1978 41 C 4.9756 8.8318 121.2409 58.4546 35.5657 172.4919 42 L 5.3205 8.7395 124.3041 53.3085 44.3470 175.1796 43 E 5.6364 9.2307 120.7968 55.0181 34.2401 174.5016 44 F 5.6022 9.1525 116.1353 56.0290 42.0690 172.9233 45 A 4.5153 8.2412 119.9806 50.2757 22.6159 176.2624 46 E 4.2894 8.5839 118.5269 55.6470 30.7828 177.6598 47 A 4.2454 8.8336 122.9531 55.8225 18.4388 179.9148 48 D 4.4727 8.1662 113.6349 56.5550 41.0241 177.2885 49 K 4.5993 8.0369 117.2562 56.0482 32.5223 176.8624 50 A 3.9300 7.6193 124.7254 53.7935 18.9564 178.3393 51 Y 4.7627 7.4013 111.5426 55.4501 40.3158 175.9164 52 V 3.8263 8.3945 122.0295 62.7176 31.6012 175.4967 53 S 4.7370 8.9649 116.5663 57.4621 66.2966 173.7323 54 N 5.2706 8.5712 114.3906 52.5693 39.7081 176.2871 55 E 3.9951 8.3057 119.1456 59.7254 29.3842 179.1610 56 S 3.9646 8.8441 115.6731 60.6926 62.8592 176.0084 57 A 2.5800 7.6117 123.2779 53.6343 17.7356 179.0515 58 I 3.5763 6.9377 116.7482 63.6877 38.0285 177.1135 59 R 4.2443 7.5238 116.4689 55.7052 30.5148 176.1381 60 F 5.1679 7.0996 118.0241 55.7062 41.6025 177.5035 61 G 4.0565 8.2660 117.1730 46.3045 0.0000 175.3927 62 S 4.6257 8.4455 113.8269 58.9341 62.4625 174.5169 63 V 4.4164 7.3427 107.5243 61.1966 33.0032 177.4670 64 S 4.5025 8.1696 114.3435 59.0919 63.6148 173.3358 65 C 3.9880 8.0622 119.1730 61.6008 27.9354 173.1586 66 L 3.5626 8.4229 123.1321 55.5829 38.9660 173.1873 67 Y 4.3475 7.7366 119.7368 55.9736 39.8910 174.6045 68 Y 4.8908 7.1608 123.3274 56.2911 42.3494 174.7438 69 D 4.4943 8.8897 123.3563 55.3701 41.7158 176.9466 70 N 4.5763 8.8962 116.7103 54.2048 35.9680 176.0360 71 R 3.9448 7.9632 118.7430 59.3052 30.3882 177.1731 72 Y 4.3761 7.6658 114.5316 57.9158 38.3855 175.0794 73 W 5.1004 8.6437 123.8072 55.2694 32.8131 174.4730 74 T 4.2492 8.2259 117.3585 62.7816 69.2964 174.6745 75 M 4.4836 8.5336 126.6899 55.3287 33.1844 175.1505 76 W 4.8436 9.5251 135.0000 56.2406 31.4026 176.8727 77 K 3.3894 8.4888 128.4710 57.5667 30.8838 177.8298 78 L 4.9243 8.2485 124.8433 52.6268 45.0839 173.9919 79 P 4.3250 0.0000 0.0000 63.4727 32.1780 177.6371 80 M 4.3045 8.7230 123.6086 53.6256 30.4452 175.5756 81 F 4.5035 7.3724 118.4013 58.9633 39.9652 176.5219 82 G 4.0045 9.1494 113.1503 45.3899 0.0000 173.0471 83 C 4.2545 7.9068 120.8506 59.7923 31.7475 173.1956 84 R 4.5590 8.6429 124.2413 55.5427 31.3186 174.5389 85 D 4.7777 7.8704 118.0521 51.3469 42.8031 174.2593 86 P 4.3371 0.0000 0.0000 66.0829 31.2124 178.5208 87 M 4.1210 8.2987 117.4145 58.2277 31.8095 178.4931 88 Q 3.9647 8.0014 119.4316 59.1090 29.1818 178.5927 89 V 3.5952 7.7488 118.6851 66.0936 31.7076 177.7707 90 L 4.0011 8.0308 118.6816 57.9925 41.3757 179.8254 91 R 3.9758 8.3421 118.1860 59.2590 29.8969 178.9986 92 E 4.0908 8.2976 118.5000 59.2049 29.4528 179.2905 93 I 3.5013 7.8866 120.0852 64.2898 37.2134 178.4326 94 V 3.4660 7.6463 118.6132 66.0499 31.3540 177.8632 95 A 3.9576 8.0678 120.4898 55.1676 18.2031 179.2236 96 C 2.0000 7.6474 117.6106 62.0704 31.2421 176.0015 97 T 3.7065 7.4812 111.2609 64.3506 67.9746 176.4135 98 K 3.8127 7.6867 121.6944 59.3575 32.3379 178.4690 99 A 3.9715 7.5546 119.7858 53.5532 19.8225 177.6430 100 F 4.7260 7.7764 115.4607 55.0906 39.1103 174.0632 101 P 4.4071 0.0000 0.0000 64.3782 31.8337 177.8634 102 D 4.6139 8.0365 116.3700 53.9214 41.2977 175.6853 103 A 4.6878 7.3755 121.1010 50.7313 20.8921 177.0069 104 Y 4.2121 8.6231 117.8543 57.8054 39.4374 175.2483 105 V 5.2251 8.9110 123.2351 61.1299 35.1995 174.2703 106 R 5.0006 9.4982 123.9840 54.2538 32.9772 173.9052 107 L 4.7849 8.0445 123.6539 54.0972 43.8460 175.7193 108 V 4.8068 8.6551 118.1917 59.5821 36.6398 174.0869 109 A 4.9375 8.0767 121.4092 50.5540 22.7993 175.2317 110 F 5.2014 9.1107 120.0597 55.7608 42.3973 174.1671 111 D 5.4078 8.8394 122.6001 52.7412 42.4191 176.6495 112 N 4.7316 9.1664 122.9292 54.2894 38.4217 176.4131 113 Q 4.1749 8.4010 118.0369 58.9734 29.0805 177.3725 114 K 4.0454 8.6701 115.0615 56.8640 32.8825 176.7386 115 Q 3.4096 8.0623 118.3590 55.9097 27.0314 172.6910 116 V 4.5095 7.8626 117.5446 60.0116 35.0189 174.1542 117 Q 4.2907 8.7660 123.2977 56.5878 29.2952 175.5844 118 I 4.2307 8.1980 124.7242 61.1949 40.0041 174.4334 119 M 4.6330 6.7793 117.5231 54.3139 34.5371 173.7158 120 G 4.8206 8.2627 105.9261 47.1575 0.0000 172.4029 121 F 5.0371 7.1594 115.8503 55.2503 41.1196 172.8335 122 L 4.5355 8.8363 122.9650 55.6244 41.9305 176.7944 123 V 4.4785 8.8779 118.5882 61.5354 34.0858 175.7843 124 Q 4.5582 7.8044 121.3286 54.2887 32.4460 173.3803 125 R 4.2796 8.0960 121.8949 52.8621 32.5207 173.6350 126 P 4.1414 0.0000 0.0000 62.8445 31.5594 177.4020 127 K 4.1925 8.4381 119.7337 59.0064 32.8227 177.9553 128 S 4.2916 7.9407 112.9655 59.4859 63.5877 174.2928 129 A 4.3272 7.8544 125.9672 52.6312 18.4043 177.3048 130 R 4.7009 8.7303 117.8353 55.9500 30.6350 174.9616 131 D 4.9349 8.6089 116.5147 53.1762 39.6970 175.4100 132 W 5.5801 7.7216 114.8925 55.3628 31.3458 173.9424 133 Q 4.3291 8.4141 117.6383 52.9096 31.1847 174.1733 134 P 4.4589 0.0000 0.0000 62.3340 31.9443 176.9737 135 A 3.9733 8.9232 123.2014 55.6558 18.1568 179.1768 136 N 4.6816 8.0647 109.1200 53.7249 37.7760 175.4491 137 K 4.4211 7.7795 117.5652 56.3429 32.9689 177.3836 138 R 3.5582 7.5711 119.7058 57.8469 30.1046 176.6507 139 S 5.0544 7.4353 110.1420 56.3429 66.1205 174.2386 140 V 3.9872 8.4922 114.4399 61.7639 32.2670 175.6149 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 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.13 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 8.95 4.60 0.00 3.47 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 8.10 4.24 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 1.06 0.00 0.00 6 P 0.00 4.59 0.00 2.23 2.19 0.00 3.73 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 7.23 4.33 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 0.80 0.00 0.00 0.91 0.00 0.00 8 N 8.48 4.66 0.00 2.70 2.83 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 8.22 5.07 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 8.37 4.04 0.00 2.02 1.58 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.46 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.35 1.48 7.81 11 M 8.29 5.00 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 12 F 8.32 4.58 0.00 3.12 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 13 E 8.45 3.49 0.00 2.14 1.75 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 2.21 2.14 0.00 14 T 8.35 3.87 4.21 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 0.19 0.00 0.00 15 F 9.07 4.54 0.00 3.28 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 16 S 8.22 4.52 0.00 4.15 4.21 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 17 Y 8.25 4.40 0.00 3.05 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 7.58 4.67 0.00 1.82 1.61 0.82 1.11 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 2.04 2.15 0.00 20 P 0.00 4.27 0.00 2.07 2.03 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 2.26 0.00 21 L 8.33 4.02 0.00 1.59 1.49 0.33 0.56 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 8.19 4.20 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 8.52 4.33 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 24 E 8.13 3.93 0.00 2.02 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 7.96 3.94 0.00 2.30 1.93 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 2.32 0.00 26 I 7.99 3.72 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 0.86 1.08 0.00 0.00 27 A 8.36 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 28 A 8.11 3.96 1.37 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 0.00 0.00 29 Q 8.07 4.09 0.00 2.51 2.53 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 2.32 1.90 0.00 30 V 8.18 3.75 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 1.11 0.00 0.00 31 D 8.56 4.43 0.00 2.97 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 8.10 4.18 0.00 3.23 3.35 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 33 I 7.95 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 0.88 1.07 0.00 0.00 34 V 7.83 3.52 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 1.02 0.00 0.00 1.02 0.00 0.00 35 A 8.05 3.91 1.24 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 0.00 0.00 36 N 7.14 4.08 0.00 1.44 1.42 0.00 0.00 7.05 8.98 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 37 G 7.30 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 0.00 0.00 0.00 38 W 7.49 4.97 0.00 3.37 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 39 I 8.94 4.38 2.12 0.00 0.00 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 1.48 0.83 0.74 0.00 0.00 40 P 0.00 4.89 0.00 2.09 1.99 0.00 3.82 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 2.15 2.13 0.00 41 C 8.83 4.98 0.00 3.10 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 42 L 8.74 5.32 0.00 1.86 1.63 0.83 0.83 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 43 E 9.23 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 9.15 5.60 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 45 A 8.24 4.52 -0.15 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 46 E 8.58 4.29 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 8.83 4.25 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 8.17 4.47 0.00 2.69 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 8.04 4.60 0.00 1.49 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 1.43 7.81 50 A 7.62 3.93 0.48 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 0.00 0.00 51 Y 7.40 4.76 0.00 2.92 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 52 V 8.39 3.83 1.91 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 0.55 0.00 0.00 0.74 0.00 0.00 53 S 8.96 4.74 0.00 4.05 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 8.57 5.27 0.00 2.77 2.85 0.00 0.00 6.58 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 8.31 4.00 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 8.84 3.96 0.00 3.93 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 57 A 7.61 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 6.94 3.58 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 0.88 0.00 0.00 59 R 7.52 4.24 0.00 1.80 1.97 0.00 3.17 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 1.58 1.54 0.00 60 F 7.10 5.17 0.00 3.02 2.78 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 61 G 8.27 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 62 S 8.45 4.63 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 7.34 4.42 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 0.66 0.00 0.00 0.49 0.00 0.00 64 S 8.17 4.50 0.00 4.15 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 65 C 8.06 3.99 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 8.42 3.56 0.00 1.77 1.75 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 4.35 0.00 2.92 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 68 Y 7.16 4.89 0.00 2.79 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 69 D 8.89 4.49 0.00 2.79 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 8.90 4.58 0.00 3.06 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 7.96 3.94 0.00 1.51 1.69 0.00 3.09 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 7.67 4.38 0.00 3.06 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 73 W 8.64 5.10 0.00 3.08 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 74 T 8.23 4.25 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 0.91 0.00 0.00 75 M 8.53 4.48 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.21 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 9.53 4.84 0.00 3.66 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 0.00 77 K 8.49 3.39 0.00 1.67 0.76 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.81 0.21 7.81 78 L 8.25 4.92 0.00 1.60 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.33 0.00 0.59 1.81 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 80 M 8.72 4.30 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.17 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 7.37 4.50 0.00 3.10 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 82 G 9.15 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 83 C 7.91 4.25 0.00 3.04 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 R 8.64 4.56 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.33 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 7.87 4.78 0.00 2.72 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 4.34 0.00 2.22 2.13 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 87 M 8.30 4.12 0.00 2.07 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 8.00 3.96 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.75 3.60 2.27 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 8.03 4.00 0.00 1.91 1.72 0.94 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 91 R 8.34 3.98 0.00 2.02 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 8.30 4.09 0.00 2.24 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 0.00 2.60 2.67 0.00 93 I 7.89 3.50 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 1.00 0.84 0.00 0.00 94 V 7.65 3.47 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 0.97 0.00 0.00 0.95 0.00 0.00 95 A 8.07 3.96 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 7.65 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 3.71 4.28 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 1.12 0.00 0.00 98 K 7.69 3.81 0.00 1.85 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 7.55 3.97 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 0.00 100 F 7.78 4.73 0.00 2.89 2.78 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 0.00 101 P 0.00 4.41 0.00 2.12 2.11 0.00 3.30 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.04 4.61 0.00 2.69 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 0.00 103 A 7.38 4.69 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 0.00 104 Y 8.62 4.21 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 8.91 5.23 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 1.02 0.00 0.00 0.86 0.00 0.00 106 R 9.50 5.00 0.00 1.85 1.93 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 1.49 1.37 0.00 107 L 8.04 4.78 0.00 1.52 0.79 0.89 0.64 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 8.66 4.81 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 0.50 0.00 0.00 0.49 0.00 0.00 109 A 8.08 4.94 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 0.00 110 F 9.11 5.20 0.00 2.99 2.92 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 0.00 0.00 0.00 111 D 8.84 5.41 0.00 2.38 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 9.17 4.73 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 8.40 4.17 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.11 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 114 K 8.67 4.05 0.00 1.74 1.86 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.41 7.81 115 Q 8.06 3.41 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 7.86 4.51 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 0.48 0.00 0.00 0.92 0.00 0.00 117 Q 8.77 4.29 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.18 1.87 0.00 118 I 8.20 4.23 1.23 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.38 -0.47 0.00 0.00 119 M 6.78 4.63 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.79 0.00 120 G 8.26 4.82 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 0.00 121 F 7.16 5.04 0.00 3.22 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 0.00 122 L 8.84 4.54 0.00 1.58 1.60 0.67 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.88 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 0.66 0.00 0.00 0.88 0.00 0.00 124 Q 7.80 4.56 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 125 R 8.10 4.28 0.00 1.08 1.42 0.00 2.21 0.00 0.00 2.66 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.20 0.00 126 P 0.00 4.14 0.00 2.11 2.18 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 127 K 8.44 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 4.29 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 7.85 4.33 1.55 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 0.00 130 R 8.73 4.70 0.00 1.86 1.97 0.00 3.24 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 131 D 8.61 4.93 0.00 2.98 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 0.00 132 W 7.72 5.58 0.00 3.66 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 0.00 133 Q 8.41 4.33 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 134 P 0.00 4.46 0.00 2.31 2.07 0.00 3.42 0.00 0.00 3.21 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 8.92 3.97 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 8.06 4.68 0.00 2.83 2.94 0.00 0.00 5.85 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 7.78 4.42 0.00 1.56 1.68 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.57 3.56 0.00 1.46 0.66 0.00 3.12 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 139 S 7.44 5.05 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 8.49 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 0.94 0.00 0.00