NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4662 8.1927 115.4151 57.8075 64.5129 174.3465 3 V 3.3168 8.2912 121.6373 65.9410 30.9798 176.8620 4 Y 3.7028 8.7409 116.9657 60.8330 38.6253 177.2471 5 D 4.5012 8.5219 119.9735 57.3236 41.0431 178.4270 6 A 3.9456 8.2096 121.2805 55.3447 18.2530 179.4986 7 A 3.8193 8.2719 119.1696 55.2331 18.1769 179.6567 8 A 4.0543 7.6401 117.7993 54.6238 18.5213 178.7680 9 Q 4.3153 7.7745 116.2220 56.4264 29.8282 176.4763 10 L 4.2385 7.2822 119.9314 54.4047 40.4306 177.0955 11 T 4.1685 7.8698 114.6959 60.6459 71.2730 174.8007 12 A 3.9502 8.5310 122.5775 55.6517 18.1656 179.7018 13 D 4.2741 7.9487 116.6800 57.4475 40.9543 178.9543 14 V 3.5299 7.3655 117.3481 65.8822 31.4386 178.1638 15 K 3.8221 8.2832 118.6002 59.2967 31.7943 179.1946 16 K 3.9479 8.1163 119.8070 59.7179 32.1458 178.6564 17 D 4.6900 8.2331 119.1675 57.3162 40.7119 178.7768 18 L 3.8085 8.1372 119.7914 57.6692 41.6853 179.8031 19 R 4.0209 8.2585 118.1642 59.4209 28.5891 178.7020 20 D 4.4772 8.5137 119.2488 57.6367 40.8713 179.2749 21 S 3.2943 8.1597 114.5887 60.7652 62.8597 176.2588 22 W 4.3305 8.5586 131.8504 60.0502 30.1560 178.0206 23 K 3.8120 7.7331 117.7422 58.8273 31.5294 178.7940 24 V 3.8357 6.8982 116.1494 65.5046 31.5500 178.2135 25 I 3.5656 7.5021 119.6957 64.0264 36.6696 178.4564 26 G 2.0536 6.6394 105.3209 45.7817 0.0000 174.9394 27 S 4.3657 6.8514 114.7480 58.4302 64.6404 174.7033 28 D 4.6649 7.2320 120.6087 52.2795 42.2918 175.4802 29 K 3.8011 7.8893 123.0888 58.8493 32.5505 178.7258 30 K 3.9842 7.9623 119.5713 59.4110 32.3155 178.9569 31 G 3.4860 8.2839 105.8095 48.1285 0.0000 175.5393 32 N 4.4488 8.3841 120.1305 55.2705 38.5871 178.0100 33 G 3.4871 7.9864 107.4855 47.8726 0.0000 176.0969 34 V 3.6356 7.7643 120.7849 65.2288 31.4510 178.0424 35 A 3.9183 7.8698 120.8373 55.0796 18.2964 179.4599 36 L 3.8029 7.9462 117.6152 58.1311 41.6361 179.8801 37 M 3.4718 7.7538 118.2605 58.4940 32.0318 179.0417 38 T 4.0556 8.1349 110.0882 65.0103 68.8084 176.5626 39 T 3.9190 7.9324 118.8844 66.0471 68.4463 176.5701 40 L 3.7886 7.3786 122.3068 58.1960 41.8382 179.1632 41 F 4.4959 7.4627 116.2905 60.4341 38.8807 177.3357 42 A 4.1787 8.0380 119.9000 54.7110 18.3011 178.6074 43 D 4.7447 8.0321 115.1234 54.5071 43.0306 176.9370 44 N 5.1632 8.0825 116.6609 50.4896 39.3531 174.9548 45 Q 4.1320 8.1628 120.3683 58.4937 29.0715 177.7234 46 E 4.1815 8.2293 117.1572 58.3670 30.2317 178.0087 47 T 4.6235 8.3015 110.6491 63.2629 69.4221 176.6551 48 I 3.9030 7.7930 123.7926 64.5924 36.9126 178.1977 49 G 3.6541 8.0884 104.7422 47.7262 0.0000 174.6891 50 Y 4.3811 7.7695 117.6273 59.9586 38.1358 175.9577 51 F 4.7993 8.3051 118.5339 56.9468 40.0286 177.8478 52 K 3.8313 8.3908 124.6676 59.7045 32.0572 178.5358 53 R 3.9500 8.0152 117.4239 59.2977 30.0550 176.9745 54 L 4.2482 7.9271 115.3139 54.8572 42.4917 179.1800 55 G 3.6825 7.6702 106.8137 46.7758 0.0000 176.4074 56 N 4.5076 8.4321 121.4907 52.7615 38.8682 175.8278 57 V 3.7336 7.9852 121.9594 63.2544 31.5271 178.1441 58 S 4.1992 8.0526 113.3192 61.1344 63.0631 175.8105 59 Q 4.1159 8.0748 121.0774 55.9640 28.7693 177.7422 60 G 3.8831 8.6008 109.4079 46.3938 0.0000 176.2202 61 M 3.9875 8.9814 121.9302 58.2077 32.0398 177.1081 62 A 3.9762 7.5814 120.7531 54.4258 18.7824 177.3172 63 N 4.5551 7.9901 114.2956 53.0644 39.1240 175.0302 64 D 4.3782 8.6652 129.3800 57.4242 41.0133 178.8740 65 K 4.0327 8.1145 118.4670 59.3897 32.0162 178.9977 66 L 4.0503 8.9765 120.9882 58.0943 42.0272 178.9802 67 R 4.0160 8.4344 119.1808 59.4209 29.9164 178.8025 68 G 3.6759 8.8308 105.9420 47.8392 0.0000 175.3156 69 H 4.3040 8.3511 120.5864 59.2955 29.9707 177.6121 70 S 4.1232 8.5107 117.3871 61.6022 62.4120 176.7983 71 I 3.8039 7.6344 121.6718 64.7333 37.1704 178.3247 72 T 4.2077 7.8127 116.8171 66.4285 68.1700 176.4884 73 L 3.8199 8.0722 122.3841 58.4613 42.1885 178.9694 74 M 4.1425 7.9293 117.7702 58.2530 31.7087 177.9559 75 Y 4.0818 7.9426 116.4315 59.8220 38.1147 177.7162 76 A 3.4670 7.8029 122.3692 54.9234 18.2816 179.6531 77 L 3.6336 7.4052 116.9855 57.7411 41.6649 179.3362 78 Q 3.4095 7.5659 119.4965 58.8051 28.7029 177.9707 79 N 4.2398 7.8436 117.5857 56.6438 39.4545 176.5551 80 F 4.6027 7.7219 119.2125 60.8303 38.8980 177.6689 81 I 3.5253 7.6901 119.4883 64.5520 36.6307 178.2721 82 D 4.4244 7.9083 118.1797 56.4665 41.0306 177.6964 83 Q 4.4554 7.6772 117.0570 55.6745 28.7639 177.1455 84 L 3.9468 7.4111 122.3311 57.9782 41.7944 178.8214 85 D 4.7505 8.0337 116.5646 54.2545 40.2051 175.5891 86 N 4.8086 7.9044 118.5400 50.2708 39.6809 172.3467 87 P 4.1968 0.0000 0.0000 65.4828 31.0136 178.0356 88 D 4.3506 8.3149 117.8469 57.3062 40.7692 178.3549 89 D 4.3922 8.1284 118.9677 56.8084 41.0490 178.3277 90 L 3.9481 7.9775 121.0190 58.1987 42.0355 179.2440 91 V 3.4170 7.8215 118.5535 65.9782 31.3588 177.7900 92 C 4.1435 7.7951 113.9405 61.3364 29.5784 176.3603 93 V 3.6665 7.8421 114.8602 64.0056 31.0462 178.7408 94 V 3.8796 8.0530 118.2009 66.1962 31.4888 178.0532 95 E 3.9474 8.4216 118.4097 58.8963 28.9668 179.3410 96 K 3.8231 7.6386 119.2170 59.6624 32.4961 178.7862 97 F 4.4590 8.2171 117.6531 60.2076 38.7059 177.5898 98 A 3.9981 8.4010 121.2344 55.1694 18.1251 179.8045 99 V 3.5302 7.7535 116.2525 66.1884 31.3310 178.0341 100 N 4.4184 7.8711 115.3462 56.0558 38.6072 176.2701 101 H 4.5578 8.0335 116.6873 57.7500 29.4899 177.4079 102 I 3.7671 8.0899 122.3944 64.4469 36.7182 178.3562 103 T 4.0198 7.8660 108.6149 63.7190 68.8198 175.1820 104 R 4.3926 7.7460 119.5163 55.2190 30.3802 175.8242 105 K 3.7892 7.6486 116.0325 57.6101 29.8375 175.9221 106 I 4.1065 7.6666 120.2193 59.7665 37.9207 177.1772 107 S 4.4970 8.3907 120.8687 57.4315 65.4881 174.8307 108 A 3.9915 8.4590 123.1068 55.1362 17.8290 179.7208 109 A 3.9802 7.9071 117.9674 55.4542 18.8561 179.2629 110 E 4.1266 8.2018 116.9410 59.5537 29.5743 179.3087 111 F 4.1203 8.6197 120.9281 61.1859 39.3422 177.2191 112 G 3.8341 8.2449 104.7659 46.9101 0.0000 175.4220 113 K 4.0299 8.1350 120.7686 58.8150 31.9784 178.6352 114 I 3.6662 7.5818 118.9863 63.4073 37.7688 177.3532 115 N 4.4914 8.3601 118.0796 56.1654 38.3792 177.2269 116 G 3.5496 7.7618 106.6345 47.4412 0.0000 173.8120 117 P 4.2110 0.0000 0.0000 65.0763 31.3138 178.7520 118 I 3.5297 7.6838 118.4841 64.1863 36.9594 178.3622 119 K 3.9325 8.0300 120.4681 59.3469 31.8934 179.1336 120 K 3.9467 7.8231 118.3902 59.3196 31.0219 179.4835 121 V 3.5034 8.0384 118.9100 66.0440 31.4347 178.0283 122 L 4.0892 8.0498 118.5689 57.6613 41.4450 179.3837 123 A 4.0697 7.9942 120.9920 55.0866 18.2255 179.4157 124 S 4.3294 8.1905 109.9875 59.8718 62.9249 174.8223 125 K 4.4487 6.9073 117.5917 55.7976 32.7353 175.4708 126 N 4.0676 8.4565 115.1026 54.5856 36.1449 174.4337 127 F 4.6354 8.0696 117.3925 55.5282 40.7177 177.6320 128 G 4.0482 8.6401 115.6820 44.5678 0.0000 172.3818 129 D 4.4780 8.8597 118.7720 57.2495 40.8481 178.3441 130 K 3.8093 8.1143 119.6564 59.9324 32.1567 178.2505 131 Y 4.1898 7.9529 116.0566 61.1062 38.0176 178.2504 132 A 4.2114 8.1777 121.5016 55.2919 18.2097 179.4862 133 N 4.3981 8.3557 114.5229 56.1538 38.9630 177.2615 134 A 4.0944 8.0630 122.2932 55.1080 18.5677 179.7935 135 W 3.9248 8.5676 117.1916 59.7226 29.0668 178.6410 136 A 4.1613 8.0602 120.4545 54.9164 17.5367 179.8392 137 K 3.9607 7.7226 116.5592 59.2641 32.3510 179.0946 138 L 3.9070 7.6804 120.3284 58.0984 42.1891 178.9796 139 V 3.7656 8.0290 117.8578 65.9063 31.3767 177.8316 140 A 4.3357 7.8713 122.0486 54.3572 17.9151 179.7531 141 V 3.4324 7.3483 116.4116 66.0732 31.8673 178.1749 142 V 3.4913 7.4598 117.5667 65.9212 31.1441 177.8894 143 Q 3.8628 8.0429 117.6200 58.7092 28.2889 178.5164 144 A 3.9714 7.9374 120.6237 54.2753 18.4267 178.5628 145 A 4.2871 7.5776 117.5472 52.8073 19.4514 177.1779 146 L 4.1136 7.3976 121.6299 54.8694 41.8287 176.5364 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 2 S 8.19 4.47 0.00 4.11 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 0.00 3 V 8.29 3.32 2.02 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 1.02 0.00 0.00 0.91 0.00 0.00 4 Y 8.74 3.70 0.00 3.08 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 5 D 8.52 4.50 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 6 A 8.21 3.95 1.30 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 0.00 0.00 7 A 8.27 3.82 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 8 A 7.64 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.77 4.32 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 10 L 7.28 4.24 0.00 1.64 1.53 0.77 1.19 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 11 T 7.87 4.17 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 12 A 8.53 3.95 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 13 D 7.95 4.27 0.00 2.67 2.69 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 14 V 7.37 3.53 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 0.88 0.00 0.00 15 K 8.28 3.82 0.00 1.94 1.80 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.69 7.81 16 K 8.12 3.95 0.00 2.04 1.97 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.75 7.81 17 D 8.23 4.69 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.14 3.81 0.00 1.63 1.24 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.26 4.02 0.00 2.04 2.05 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 20 D 8.51 4.48 0.00 2.87 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 21 S 8.16 3.29 0.00 3.39 3.26 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 22 W 8.56 4.33 0.00 3.79 3.37 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 23 K 7.73 3.81 0.00 1.98 1.86 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.68 7.81 24 V 6.90 3.84 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 1.10 0.00 0.00 1.10 0.00 0.00 25 I 7.50 3.57 1.52 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.65 0.00 0.00 26 G 6.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 6.85 4.37 0.00 3.88 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 28 D 7.23 4.66 0.00 2.66 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 29 K 7.89 3.80 0.00 1.75 1.70 0.00 1.09 0.00 0.00 0.89 0.00 0.00 2.24 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.35 7.81 30 K 7.96 3.98 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.28 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.45 0.00 2.69 2.72 0.00 0.00 7.01 7.99 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 33 G 7.99 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.64 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 1.08 0.00 0.00 0.97 0.00 0.00 35 A 7.87 3.92 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 36 L 7.95 3.80 0.00 1.77 1.58 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.75 3.47 0.00 1.86 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.76 0.00 38 T 8.13 4.06 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 1.33 0.00 0.00 39 T 7.93 3.92 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 1.18 0.00 0.00 40 L 7.38 3.79 0.00 1.55 1.15 0.82 0.66 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 41 F 7.46 4.50 0.00 3.05 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 A 8.04 4.18 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 43 D 8.03 4.74 0.00 2.66 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 44 N 8.08 5.16 0.00 2.98 2.91 0.00 0.00 6.83 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 45 Q 8.16 4.13 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 46 E 8.23 4.18 0.00 2.14 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 0.00 2.38 2.38 0.00 47 T 8.30 4.62 4.75 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 1.46 0.00 0.00 48 I 7.79 3.90 1.97 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 1.16 0.81 0.74 0.00 0.00 49 G 8.09 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.77 4.38 0.00 2.92 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 51 F 8.31 4.80 0.00 3.18 3.09 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 52 K 8.39 3.83 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.45 7.81 53 R 8.02 3.95 0.00 1.83 1.99 0.00 3.32 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 7.93 4.25 0.00 1.84 1.75 1.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.67 3.68 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 0.00 56 N 8.43 4.51 0.00 2.82 2.72 0.00 0.00 6.94 7.71 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 57 V 7.99 3.73 1.66 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 0.64 0.00 0.00 0.35 0.00 0.00 58 S 8.05 4.20 0.00 4.00 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 59 Q 8.07 4.12 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.83 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 60 G 8.60 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 M 8.98 3.99 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 62 A 7.58 3.98 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 63 N 7.99 4.56 0.00 2.78 2.93 0.00 0.00 7.03 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 64 D 8.67 4.38 0.00 2.82 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 65 K 8.11 4.03 0.00 2.12 1.91 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.98 4.05 0.00 1.74 1.87 1.08 0.92 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 67 R 8.43 4.02 0.00 2.04 2.05 0.00 3.16 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 68 G 8.83 3.68 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 0.00 69 H 8.35 4.30 0.00 3.46 3.64 0.00 5.79 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 70 S 8.51 4.12 0.00 3.91 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 71 I 7.63 3.80 1.97 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 1.57 0.74 1.14 0.00 0.00 72 T 7.81 4.21 4.41 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 1.28 0.00 0.00 73 L 8.07 3.82 0.00 1.68 1.77 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.93 4.14 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.93 0.00 75 Y 7.94 4.08 0.00 3.24 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 76 A 7.80 3.47 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.41 3.63 0.00 1.52 1.42 1.00 1.28 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 78 Q 7.57 3.41 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 79 N 7.84 4.24 0.00 2.85 2.77 0.00 0.00 7.26 7.54 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 80 F 7.72 4.60 0.00 3.05 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 81 I 7.69 3.53 1.42 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.10 0.80 0.00 0.00 82 D 7.91 4.42 0.00 2.80 2.75 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 83 Q 7.68 4.46 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 84 L 7.41 3.95 0.00 1.52 1.68 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.03 4.75 0.00 2.80 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 86 N 7.90 4.81 0.00 2.73 2.76 0.00 0.00 7.01 7.04 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 87 P 0.00 4.20 0.00 2.22 2.04 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 88 D 8.31 4.35 0.00 2.90 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 89 D 8.13 4.39 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.95 0.00 1.90 1.70 0.87 0.58 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 91 V 7.82 3.42 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 0.82 0.00 0.00 0.25 0.00 0.00 92 C 7.80 4.14 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.84 3.67 2.38 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 0.97 0.00 0.00 1.20 0.00 0.00 94 V 8.05 3.88 2.18 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 0.96 0.00 0.00 0.59 0.00 0.00 95 E 8.42 3.95 0.00 2.02 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 2.29 2.51 0.00 96 K 7.64 3.82 0.00 1.73 1.73 0.00 0.63 0.00 0.00 0.94 0.00 0.00 2.68 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.23 1.36 7.81 97 F 8.22 4.46 0.00 3.38 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 98 A 8.40 4.00 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 99 V 7.75 3.53 2.21 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 1.01 0.00 0.00 0.98 0.00 0.00 100 N 7.87 4.42 0.00 3.05 2.91 0.00 0.00 7.00 9.25 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 0.00 101 H 8.03 4.56 0.00 3.37 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.09 3.77 1.87 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 1.56 0.77 0.91 0.00 0.00 103 T 7.87 4.02 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 1.24 0.00 0.00 104 R 7.75 4.39 0.00 1.82 1.84 0.00 3.37 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 0.00 105 K 7.65 3.79 0.00 2.03 1.96 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.60 7.81 106 I 7.67 4.11 2.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.99 0.00 0.00 107 S 8.39 4.50 0.00 4.08 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 0.00 108 A 8.46 3.99 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 0.00 109 A 7.91 3.98 1.35 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 0.00 0.00 110 E 8.20 4.13 0.00 2.13 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 2.44 2.41 0.00 111 F 8.62 4.12 0.00 3.24 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 0.00 112 G 8.24 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 0.00 113 K 8.13 4.03 0.00 1.94 1.88 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.54 7.81 114 I 7.58 3.67 1.50 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.71 0.00 0.00 115 N 8.36 4.49 0.00 2.94 2.88 0.00 0.00 6.70 8.16 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 0.00 116 G 7.76 3.55 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 0.00 117 P 0.00 4.21 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 118 I 7.68 3.53 1.94 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 1.18 0.68 0.61 0.00 0.00 119 K 8.03 3.93 0.00 1.99 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 7.82 3.95 0.00 1.96 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 121 V 8.04 3.50 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 0.89 0.00 0.00 0.88 0.00 0.00 122 L 8.05 4.09 0.00 1.94 1.80 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.99 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.33 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 6.91 4.45 0.00 2.15 2.01 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 126 N 8.46 4.07 0.00 2.60 2.65 0.00 0.00 6.73 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 0.00 127 F 8.07 4.64 0.00 3.17 2.89 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 0.00 128 G 8.64 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 0.00 0.00 0.00 129 D 8.86 4.48 0.00 2.81 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 0.00 130 K 8.11 3.81 0.00 1.72 1.48 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.42 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.25 1.42 7.81 131 Y 7.95 4.19 0.00 3.44 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 0.00 132 A 8.18 4.21 1.44 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 0.00 0.00 0.00 133 N 8.36 4.40 0.00 2.94 2.90 0.00 0.00 6.99 8.21 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 0.00 134 A 8.06 4.09 1.30 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 0.00 0.00 135 W 8.57 3.92 0.00 3.49 3.37 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 0.00 136 A 8.06 4.16 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.72 3.96 0.00 1.90 1.82 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 138 L 7.68 3.91 0.00 1.44 1.63 0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.03 3.77 2.32 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 1.19 0.00 0.00 1.16 0.00 0.00 140 A 7.87 4.34 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 0.00 141 V 7.35 3.43 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 0.67 0.00 0.00 0.83 0.00 0.00 142 V 7.46 3.49 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 0.31 0.00 0.00 0.68 0.00 0.00 143 Q 8.04 3.86 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 144 A 7.94 3.97 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 0.00 145 A 7.58 4.29 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 0.00 146 L 7.40 4.11 0.00 1.59 1.52 0.44 0.57 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