NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5031 8.3044 120.3282 55.4994 33.4593 173.8784 2 L 4.4749 7.4866 120.1016 52.2808 45.0112 172.8223 3 M 3.8463 7.8500 120.2057 53.8914 33.6923 172.5211 4 P 4.5191 0.0000 0.0000 63.1168 32.0929 176.3479 5 R 4.2724 8.4758 118.0661 57.3487 31.0650 176.2878 6 R 4.7618 7.2358 113.9022 54.7056 34.2288 173.9357 7 M 4.4016 7.8450 113.7551 54.9291 35.4078 175.9072 8 K 4.0148 9.0851 122.7905 58.8276 32.6046 177.2883 9 Y 4.5134 7.6238 114.5777 55.7947 41.2078 175.4904 10 R 4.1042 8.8877 124.6686 58.2892 30.6156 176.5933 11 K 4.7422 7.8844 115.1089 54.4899 35.2331 174.9780 12 Q 4.5546 8.0880 118.0870 54.4344 31.5937 174.4398 13 Q 4.2332 8.3244 117.9349 55.4225 28.8672 175.8902 14 R 3.8415 7.9711 117.3127 56.4919 30.4395 179.9804 15 G 4.0125 8.0285 107.3027 45.0369 0.0000 172.0277 16 R 4.4755 7.9956 117.1378 54.1170 32.9214 174.4758 17 L 4.2428 8.4288 124.6535 54.2588 41.4938 176.1996 18 K 4.6706 8.2164 124.0011 54.0313 35.3716 176.9872 19 G 3.7681 8.3285 107.8530 46.3518 0.0000 172.5891 20 A 3.7034 8.4751 123.3230 53.5935 17.7256 176.0531 21 T 4.5829 8.3269 104.4818 63.5040 75.7739 174.5198 22 K 4.2469 8.5837 121.5499 54.9484 31.8530 175.6669 23 G 3.8660 7.9233 103.3715 46.7980 0.0000 171.5948 24 G 3.7326 7.7012 104.7057 46.8216 0.0000 173.9310 25 D 5.7109 8.3195 113.7062 52.1069 40.2621 175.2811 26 Y 5.3769 7.0318 116.4611 54.8394 42.5811 176.6457 27 V 3.4481 9.6045 120.0574 63.7112 30.2717 176.4509 28 A 4.2304 9.8815 124.4950 51.7322 19.0379 179.6817 29 F 4.5851 8.4319 108.9728 57.8654 41.0958 179.5833 30 G 3.8162 5.3916 117.4322 45.9368 0.0000 173.9759 31 D 4.7308 9.0817 119.4535 54.7932 43.5872 176.4674 32 Y 4.8131 8.1330 114.0581 56.0821 42.3421 174.9071 33 G 4.5194 9.1342 107.8793 44.6273 0.0000 170.9031 34 L 5.5149 8.9904 121.9858 53.0293 44.8853 175.6008 35 V 5.0813 9.0689 125.2038 59.4221 35.3523 174.7698 36 A 4.3329 8.5537 124.7295 52.5852 18.6377 178.0751 37 L 4.2934 8.6896 122.6969 55.8610 43.1311 177.0560 38 E 4.8560 8.0037 116.1892 53.7744 31.8937 174.4746 39 P 4.7007 0.0000 0.0000 63.0662 33.0410 175.1872 40 A 4.2778 8.1281 121.1008 51.9575 24.2200 174.5323 41 W 5.1653 8.9611 117.3920 55.4760 31.4248 175.7011 42 I 4.4991 8.2558 126.4289 59.8720 38.6256 176.4741 43 T 4.4231 8.3946 116.3489 60.8574 70.1117 175.5991 44 A 3.9215 8.2710 123.0340 55.3057 18.2808 179.7762 45 Q 4.0237 8.1564 115.7400 59.8602 27.7886 178.7460 46 Q 4.1286 8.1079 120.3052 59.1369 28.8330 179.2087 47 I 3.8898 7.7935 120.2846 64.0835 37.0507 177.7438 48 E 3.8884 9.3489 120.5672 59.7867 29.1922 179.2782 49 A 3.9459 8.8150 121.0516 55.4882 18.2378 179.0660 50 A 3.9151 7.8247 118.5690 54.6158 18.5423 179.4474 51 R 3.3314 8.1612 116.0782 60.2970 30.0865 177.9404 52 V 3.5814 8.5366 117.8831 64.2816 31.1783 177.4026 53 A 3.8019 7.6533 120.0352 55.7159 18.4959 179.1823 54 M 3.6670 8.2943 117.4129 58.5366 32.4973 178.4167 55 V 3.4107 7.9753 118.8974 65.5869 31.3819 178.5323 56 R 3.6390 7.9182 118.2047 58.3403 29.9732 177.5321 57 H 4.1519 7.8772 118.5204 58.3104 31.3912 175.5857 58 F 4.9653 7.4542 114.9422 57.0437 37.1469 174.5406 59 R 3.6196 7.3289 115.8505 56.8927 30.3976 176.8961 60 R 3.8566 8.7969 120.6824 57.1643 27.5159 176.7548 61 G 3.7656 7.7353 108.4104 44.1615 0.0000 177.3418 62 G 4.2126 7.7377 106.6985 44.3710 0.0000 173.3450 63 K 4.7245 8.8316 124.4325 54.5976 35.0176 174.7965 64 I 4.8526 8.5919 127.6749 59.8862 39.2145 174.8577 65 F 4.8613 9.4610 126.5097 55.7817 41.0569 175.0161 66 I 4.4969 8.4257 119.1215 59.7164 37.9251 175.4335 67 R 4.2564 8.6467 127.6567 56.2855 30.2803 175.6471 68 I 4.4535 7.3440 110.2609 59.7457 40.2581 174.8662 69 F 4.9421 8.2037 122.5696 56.3416 41.4500 172.1152 70 P 4.3846 0.0000 0.0000 63.3387 31.6795 175.4044 71 D 4.3772 7.8713 116.9489 53.4269 41.3894 175.0147 72 K 4.3238 7.9183 122.6513 54.1535 33.6214 173.6693 73 P 3.3449 0.0000 0.0000 63.1171 32.0648 175.2282 74 Y 4.5159 8.1648 125.5647 56.7661 39.9604 175.0523 75 T 4.7298 7.8642 123.2156 62.5528 70.7328 174.2260 76 K 4.0370 7.6968 119.1171 55.9915 35.8262 175.0403 77 K 4.1896 8.8482 127.2555 55.2170 32.8209 174.8152 78 P 4.4310 0.0000 0.0000 62.3625 31.9463 175.7410 79 L 4.2142 8.1394 120.7113 55.4784 43.3062 175.6837 80 E 3.8296 8.6629 121.2664 56.6491 26.4573 174.9838 81 V 4.4187 7.0191 115.6005 60.2237 34.7891 175.7271 82 R 4.2254 8.3034 122.4256 55.4828 31.1199 175.4410 83 M 4.2828 8.1667 119.1930 56.1663 33.1675 177.6244 84 G 3.7526 8.3802 106.0849 45.7991 0.0000 174.0674 85 K 3.7485 9.7057 118.6637 57.3459 29.9375 176.4823 86 G 3.7887 8.3211 106.6632 44.5455 0.0000 172.1696 87 K 4.5320 8.1761 121.6935 55.2706 33.7991 176.4977 88 G 4.1689 8.2507 105.1977 43.7269 0.0000 172.1206 89 N 4.7259 8.1996 117.6873 52.0969 40.4687 174.7207 90 V 3.9741 8.1882 119.7319 63.6409 31.9922 174.1642 91 E 4.4945 9.5432 123.6419 57.1775 30.8919 176.6742 92 G 4.0446 7.7135 110.3335 45.7047 0.0000 169.9868 93 Y 5.0273 8.5621 119.8034 56.9146 43.1973 174.4368 94 V 4.5167 7.9749 111.3025 60.4673 37.1099 172.6975 95 A 4.7251 8.3936 124.4267 49.9972 21.5068 176.0460 96 V 4.0538 8.4232 123.1573 62.7361 31.7660 175.2029 97 V 4.3336 8.6643 129.0023 61.7284 32.9782 174.8921 98 K 5.0095 8.3262 124.6365 53.6745 36.8253 174.0247 99 P 4.9811 0.0000 0.0000 63.9065 31.7809 177.0446 100 G 4.0024 9.1270 110.3873 45.0282 0.0000 172.6237 101 R 4.5242 7.6128 120.8061 54.9933 30.8787 175.4481 102 V 3.8923 8.7340 126.2416 62.6442 31.3821 175.5373 103 M 3.9887 8.7379 128.1072 57.6574 32.5461 176.6593 104 F 5.5550 7.5708 114.6871 56.0003 44.5646 172.8147 105 E 5.0738 8.7940 113.8206 56.1140 32.8880 175.4129 106 V 5.0424 8.4247 115.6542 59.9643 34.9422 174.5724 107 A 4.7120 8.1559 122.8663 51.3096 22.8172 174.6650 108 G 3.9974 8.7507 110.2642 44.8216 0.0000 172.9029 109 V 3.9721 7.1237 119.6081 61.0855 34.5091 172.5756 110 T 3.9707 7.7338 119.2134 61.8852 69.2509 174.9462 111 E 3.3450 8.6902 126.7992 59.2475 29.4660 178.7309 112 E 3.9609 8.0814 118.2290 59.2976 29.9461 178.4829 113 Q 4.1814 7.8022 117.2449 58.7748 29.0914 177.9041 114 A 3.9704 8.4485 122.4372 55.4981 16.8617 179.2240 115 M 4.1986 8.5891 115.9427 56.8511 31.9870 177.6744 116 E 4.0697 7.9304 119.5364 58.0766 30.6037 177.1089 117 A 3.7182 7.7686 120.1140 55.4036 18.4310 179.2086 118 L 3.8589 7.7899 116.8845 58.0812 41.5101 179.6299 119 R 3.8741 7.1683 115.4862 59.7785 30.0792 178.2206 120 I 3.9934 7.5563 118.5464 63.8488 37.1121 177.7934 121 A 3.9714 7.9301 121.9474 55.5291 17.9785 179.8875 122 G 3.8420 7.7246 102.2438 48.4558 0.0000 174.9560 123 H 4.4678 8.1217 117.6263 58.3397 28.9512 176.8575 124 K 4.1807 8.1441 119.0106 58.0800 32.3293 177.4150 125 L 4.4552 7.6329 118.5137 53.2255 42.4727 175.2820 126 P 4.4080 0.0000 0.0000 64.5833 31.7625 176.2225 127 I 4.6105 7.3206 111.4017 58.6279 40.3611 175.6614 128 K 4.4131 8.4006 121.9964 56.7747 33.0302 176.3269 129 T 5.2372 8.3870 112.7414 59.8838 72.3607 172.7068 130 K 4.7075 8.8948 123.1925 54.7591 35.7663 174.6521 131 I 5.5288 8.2830 125.9357 59.4345 38.6089 175.4044 132 V 4.3543 8.3550 120.0936 61.0483 34.6609 176.6785 133 R 3.7924 8.7405 123.8528 57.0953 27.9740 178.0791 134 R 3.9175 9.0774 120.7214 56.9055 36.6127 174.8576 135 D 4.1077 8.9226 112.7252 57.2251 38.1634 177.8696 136 A 4.7230 9.0231 118.9647 52.0771 19.5819 179.1659 137 Y 4.3371 8.2481 116.0037 59.4613 38.2842 175.7407 138 D 4.3257 7.8909 122.4092 54.4995 40.9517 172.8859 139 E 3.5699 9.0391 129.4587 56.6277 27.8342 175.5369 140 A 4.3708 7.7848 127.5787 51.0948 19.8198 175.9115 141 Q 4.2530 7.6722 123.7940 55.4565 29.0087 176.5441 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 4.50 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 L 7.49 4.47 0.00 1.68 1.57 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.85 3.85 0.00 1.75 1.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 4 P 0.00 4.52 0.00 2.39 2.04 0.00 2.77 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 5 R 8.48 4.27 0.00 1.82 2.01 0.00 3.14 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 6 R 7.24 4.76 0.00 1.74 1.81 0.00 3.24 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 7 M 7.84 4.40 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 8 K 9.09 4.01 0.00 2.09 1.81 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.56 7.81 9 Y 7.62 4.51 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.89 4.10 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 11 K 7.88 4.74 0.00 1.76 1.65 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.38 7.81 12 Q 8.09 4.55 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.05 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 13 Q 8.32 4.23 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 14 R 7.97 3.84 0.00 1.82 1.97 0.00 3.36 0.00 0.00 3.25 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 15 G 8.03 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 16 R 8.00 4.48 0.00 1.70 1.74 0.00 3.20 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 17 L 8.43 4.24 0.00 1.63 1.62 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.22 4.67 0.00 1.72 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.34 7.81 19 G 8.33 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.48 3.70 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.33 4.58 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 1.28 0.00 0.00 22 K 8.58 4.25 0.00 1.86 2.14 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.50 7.81 23 G 7.92 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 24 G 7.70 3.73 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 0.00 0.00 0.00 25 D 8.32 5.71 0.00 2.98 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 26 Y 7.03 5.38 0.00 3.35 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 27 V 9.60 3.45 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 0.73 0.00 0.00 0.13 0.00 0.00 28 A 9.88 4.23 1.76 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 0.00 0.00 29 F 8.43 4.59 0.00 3.04 2.50 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 30 G 5.39 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 31 D 9.08 4.73 0.00 2.73 2.54 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 32 Y 8.13 4.81 0.00 2.84 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 33 G 9.13 4.52 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 0.00 34 L 8.99 5.51 0.00 1.86 1.70 1.02 1.24 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 35 V 9.07 5.08 2.12 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 0.82 0.00 0.00 0.96 0.00 0.00 36 A 8.55 4.33 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 37 L 8.69 4.29 0.00 1.68 1.73 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.00 4.86 0.00 1.83 1.84 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 2.22 2.28 0.00 39 P 0.00 4.70 0.00 2.06 2.04 0.00 3.81 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 1.95 1.95 0.00 40 A 8.13 4.28 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 41 W 8.96 5.17 0.00 3.14 2.93 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 42 I 8.26 4.50 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.93 0.00 0.00 43 T 8.39 4.42 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 1.04 0.00 0.00 44 A 8.27 3.92 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 45 Q 8.16 4.02 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 46 Q 8.11 4.13 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 47 I 7.79 3.89 2.09 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 1.48 1.13 1.14 0.00 0.00 48 E 9.35 3.89 0.00 2.02 2.16 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 2.33 2.42 0.00 49 A 8.82 3.95 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 50 A 7.82 3.92 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 R 8.16 3.33 0.00 1.88 2.11 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 52 V 8.54 3.58 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 1.01 0.00 0.00 0.94 0.00 0.00 53 A 7.65 3.80 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 54 M 8.29 3.67 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 55 V 7.98 3.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 56 R 7.92 3.64 0.00 1.84 1.93 0.00 3.34 0.00 0.00 3.12 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 57 H 7.88 4.15 0.00 3.04 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.45 4.97 0.00 3.06 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 59 R 7.33 3.62 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 60 R 8.80 3.86 0.00 2.00 2.08 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 61 G 7.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.74 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 0.00 0.00 0.00 63 K 8.83 4.72 0.00 1.95 2.05 0.00 1.64 0.00 0.00 1.07 0.00 0.00 2.49 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.24 1.38 7.81 64 I 8.59 4.85 1.98 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 1.63 0.99 1.01 0.00 0.00 65 F 9.46 4.86 0.00 2.96 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 66 I 8.43 4.50 1.96 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 1.27 0.57 1.22 0.00 0.00 67 R 8.65 4.26 0.00 1.78 1.96 0.00 3.01 0.00 0.00 3.06 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.10 0.00 68 I 7.34 4.45 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.77 0.00 0.00 69 F 8.20 4.94 0.00 2.78 2.93 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 70 P 0.00 4.38 0.00 2.06 1.92 0.00 4.02 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.88 0.00 71 D 7.87 4.38 0.00 2.53 2.29 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 72 K 7.92 4.32 0.00 1.66 1.44 0.00 1.57 0.00 0.00 1.15 0.00 0.00 3.36 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.05 1.27 7.81 73 P 0.00 3.34 0.00 1.79 1.66 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 74 Y 8.16 4.52 0.00 2.83 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 75 T 7.86 4.73 4.10 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 1.16 0.00 0.00 76 K 7.70 4.04 0.00 1.53 1.50 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.35 1.26 7.81 77 K 8.85 4.19 0.00 1.76 1.70 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 78 P 0.00 4.43 0.00 2.03 2.01 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 79 L 8.14 4.21 0.00 1.60 1.55 0.92 0.93 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 80 E 8.66 3.83 0.00 2.13 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 2.22 2.27 0.00 81 V 7.02 4.42 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 0.69 0.00 0.00 0.92 0.00 0.00 82 R 8.30 4.23 0.00 1.82 1.93 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 83 M 8.17 4.28 0.00 2.00 2.02 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 2.60 2.47 0.00 84 G 8.38 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 85 K 9.71 3.75 0.00 1.91 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.35 7.81 86 G 8.32 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.18 4.53 0.00 1.71 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.40 7.81 88 G 8.25 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 0.00 0.00 0.00 0.00 89 N 8.20 4.73 0.00 2.71 2.74 0.00 0.00 6.50 7.68 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 90 V 8.19 3.97 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 0.68 0.00 0.00 0.86 0.00 0.00 91 E 9.54 4.49 0.00 2.00 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 2.20 2.27 0.00 92 G 7.71 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 93 Y 8.56 5.03 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.97 4.52 1.83 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 -0.13 0.00 0.00 95 A 8.39 4.73 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 96 V 8.42 4.05 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 0.93 0.00 0.00 1.16 0.00 0.00 97 V 8.66 4.33 2.12 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 0.99 0.00 0.00 0.90 0.00 0.00 98 K 8.33 5.01 0.00 1.71 1.76 0.00 1.75 0.00 0.00 2.23 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.48 7.81 99 P 0.00 4.98 0.00 2.05 2.23 0.00 3.70 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 100 G 9.13 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 0.00 101 R 7.61 4.52 0.00 1.92 1.92 0.00 3.26 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 102 V 8.73 3.89 1.98 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 0.86 0.00 0.00 1.02 0.00 0.00 103 M 8.74 3.99 0.00 1.42 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.37 0.00 104 F 7.57 5.56 0.00 2.95 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 0.00 105 E 8.79 5.07 0.00 2.10 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 2.04 1.87 0.00 106 V 8.42 5.04 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 0.91 0.00 0.00 1.05 0.00 0.00 107 A 8.16 4.71 1.14 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 0.00 0.00 108 G 8.75 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 0.00 109 V 7.12 3.97 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 0.46 0.00 0.00 0.41 0.00 0.00 110 T 7.73 3.97 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 1.22 0.00 0.00 111 E 8.69 3.35 0.00 2.12 1.94 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 2.39 2.51 0.00 112 E 8.08 3.96 0.00 1.99 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 2.30 2.41 0.00 113 Q 7.80 4.18 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 114 A 8.45 3.97 0.71 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 0.00 0.00 115 M 8.59 4.20 0.00 1.98 2.14 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 2.62 2.70 0.00 116 E 7.93 4.07 0.00 2.22 1.90 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 2.25 2.25 0.00 117 A 7.77 3.72 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 0.00 118 L 7.79 3.86 0.00 1.81 1.77 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.17 3.87 0.00 1.89 2.18 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 120 I 7.56 3.99 1.79 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 1.69 0.71 0.88 0.00 0.00 121 A 7.93 3.97 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 0.00 122 G 7.72 3.84 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 0.00 123 H 8.12 4.47 0.00 3.33 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.14 4.18 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 125 L 7.63 4.46 0.00 1.68 1.64 1.12 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.41 0.00 2.19 2.20 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 127 I 7.32 4.61 1.88 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 1.37 0.73 0.93 0.00 0.00 128 K 8.40 4.41 0.00 1.79 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 129 T 8.39 5.24 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 1.30 0.00 0.00 130 K 8.89 4.71 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.41 7.81 131 I 8.28 5.53 1.93 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 1.41 1.19 1.06 0.00 0.00 132 V 8.35 4.35 2.24 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 0.89 0.00 0.00 0.92 0.00 0.00 133 R 8.74 3.79 0.00 1.73 1.37 0.00 3.18 0.00 0.00 3.04 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.60 0.00 134 R 9.08 3.92 0.00 1.50 1.76 0.00 3.30 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.36 0.00 135 D 8.92 4.11 0.00 2.90 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 0.00 136 A 9.02 4.72 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 0.00 137 Y 8.25 4.34 0.00 3.02 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.89 4.33 0.00 2.67 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 0.00 139 E 9.04 3.57 0.00 2.06 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 0.00 2.18 2.20 0.00 140 A 7.78 4.37 -0.23 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 0.00 141 Q 7.67 4.25 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00