NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 5.3482 8.3581 117.8497 56.9316 30.3739 173.3834 2 T 4.5323 8.7156 110.5564 59.7404 71.4513 171.4231 3 Y 5.2233 8.9975 121.3083 57.1053 40.5205 176.0493 4 H 4.9862 9.1124 119.1722 54.4414 33.5582 171.9452 5 Y 5.5309 7.7409 117.7949 55.4714 41.1796 174.7671 6 S 4.4329 8.7418 116.0059 58.0658 63.9981 173.9121 7 E 4.2666 8.7563 120.8257 58.1037 29.9298 176.6411 8 K 4.4904 7.4958 115.8905 54.1279 33.9318 174.3963 9 P 4.7057 0.0000 0.0000 63.0791 32.2412 175.2691 10 M 4.9650 9.0502 119.5940 54.0422 35.2526 173.6544 11 N 5.9091 8.7477 116.5511 51.8303 38.9258 175.7916 12 W 3.2917 8.6708 129.8390 60.8284 30.5574 178.3716 13 Q 3.9743 8.2570 117.1182 59.0566 28.1206 178.8984 14 R 3.9309 8.8066 119.3421 59.0195 30.0022 178.8139 15 A 3.9690 8.2583 121.0997 55.2173 18.2750 179.7185 16 R 3.4984 7.6172 117.2812 59.4097 29.9829 178.9703 17 R 3.8411 7.8139 117.8700 58.9800 30.0534 178.6174 18 F 4.0378 8.5026 120.7691 61.7610 39.3993 176.6295 19 C 4.5159 8.7166 116.2445 60.0562 39.7403 176.4919 20 R 4.2838 7.8322 120.3054 58.7285 29.7727 178.5899 21 D 4.3272 7.8331 117.4585 57.5023 40.9919 177.7201 22 N 4.0779 7.4535 114.7247 54.9445 39.7061 175.1222 23 Y 4.3515 7.1976 119.0982 57.7296 39.6461 175.7772 24 T 4.1400 8.5838 120.2948 65.3817 69.6082 174.4126 25 D 4.7016 6.5291 117.3791 53.2199 44.9303 173.7533 26 L 4.5540 8.6381 120.2106 54.5823 42.3141 178.1255 27 V 3.8089 8.9963 122.2158 62.1745 32.3546 175.0413 28 A 4.0627 7.2893 124.4256 49.8843 21.5219 175.6221 29 I 4.4847 5.4200 120.6096 59.5775 39.9106 175.6952 30 Q 4.4759 9.7569 124.4307 56.5984 29.8734 175.3123 31 N 4.9375 7.5630 115.3621 51.7160 40.8407 175.0220 32 K 3.9826 8.4720 120.4251 59.2907 32.0950 178.3917 33 A 4.0118 8.0675 120.8944 55.1166 18.3234 179.0878 34 E 4.0541 8.8353 117.3540 59.8727 29.5321 179.7221 35 I 3.7140 7.5294 118.9477 64.4506 37.2387 178.3915 36 E 3.9544 8.4483 119.6814 59.5384 29.4293 178.7788 37 Y 4.0339 8.4954 120.0092 60.6122 38.7775 178.0616 38 L 3.6982 8.1760 120.1248 57.5463 41.1761 178.9948 39 E 3.8598 8.2937 119.6859 59.1683 29.4014 178.8884 40 K 4.0556 7.6800 116.6097 59.2425 32.9604 178.4290 41 T 4.0394 7.1314 115.5640 64.1078 69.3473 175.4041 42 L 4.1041 7.2778 120.3816 53.1087 42.4432 175.1262 43 P 4.4347 0.0000 0.0000 62.1038 32.0737 175.9965 44 F 4.3615 8.7481 122.8050 58.4108 40.0793 174.1935 45 S 4.1548 7.6913 121.7037 55.8349 64.1396 174.8893 46 R 3.2456 7.9251 126.8245 58.3573 30.2850 177.4642 47 S 4.1113 7.2246 109.9470 57.1659 64.3432 174.6625 48 Y 3.6433 6.6136 118.7020 58.5642 36.2366 167.3914 49 Y 5.2169 7.9221 118.1695 56.9926 42.5798 175.1939 50 W 5.2993 9.3058 124.1864 56.7147 30.5495 175.5248 51 I 4.5842 9.0437 117.2883 59.0374 40.3061 176.4886 52 G 4.3717 8.9113 111.8296 44.7885 0.0000 171.7725 53 I 5.1975 7.7701 121.3646 60.0282 41.6405 174.0776 54 R 4.7968 8.8984 126.9359 54.2120 34.8542 174.4710 55 K 3.8731 7.8971 123.6468 55.6141 32.5854 176.1408 56 I 4.1670 8.4059 130.0852 60.1433 38.6971 176.3840 57 G 3.6831 9.4220 115.2908 46.6665 0.0000 174.3185 58 G 3.7927 8.3500 106.6649 44.8312 0.0000 173.9225 59 I 4.4857 7.1701 121.1211 58.7046 40.2846 174.9962 60 W 4.5562 8.9034 127.1822 57.3428 30.1869 175.1411 61 T 4.9839 9.2151 121.9835 61.0567 71.9284 173.5666 62 W 4.7128 9.0105 126.9263 57.1180 29.3509 177.7200 63 V 3.7708 8.9622 119.9191 64.4874 31.1945 178.5637 64 G 4.1808 8.9653 108.4924 47.5943 0.0000 174.5387 65 T 4.3592 8.1383 107.3884 60.6382 69.6506 174.1832 66 N 4.4022 8.2884 119.3520 54.4865 38.1895 173.1851 67 K 4.7768 7.7216 114.1480 54.4547 34.2406 176.6020 68 S 4.7821 8.7376 119.4972 58.1979 63.7462 173.9334 69 L 4.5237 8.8203 126.1282 55.7273 42.5262 176.5334 70 T 4.8317 8.7427 114.9334 59.5684 71.4978 175.0875 71 E 4.0454 8.8485 122.0785 59.4717 29.3825 178.7418 72 E 4.0739 8.3167 116.2973 58.7907 30.1282 178.7099 73 A 4.1960 7.9982 121.5421 54.1104 19.2386 177.5288 74 E 3.3463 7.9964 115.2925 56.9638 30.1607 177.3196 75 N 4.4040 5.7700 125.9883 51.3125 39.0283 173.7641 76 W 4.7122 7.7415 117.2429 56.6370 30.2289 177.4154 77 G 3.9952 9.1313 110.8940 45.5354 0.0000 172.2349 78 D 4.6961 8.5295 120.2907 55.8189 41.0422 176.6196 79 G 3.9873 9.3668 114.6850 45.1840 0.0000 172.8858 80 E 4.5482 7.7235 118.8394 54.1030 31.0926 173.8866 81 P 4.4341 0.0000 0.0000 61.4858 32.1595 175.7282 82 N 4.6354 8.5621 117.4358 51.8220 38.5677 173.8741 83 N 4.1048 9.1930 118.3250 53.6835 38.0926 173.9612 84 K 3.8716 8.3132 118.1292 58.4894 32.8430 175.8718 85 K 3.8852 9.5103 123.1824 56.8806 29.7123 174.3476 86 N 4.3959 8.4215 114.0850 54.8096 37.5111 174.6844 87 K 4.4268 8.3367 113.6546 55.4600 33.0867 175.5107 88 E 4.9373 8.6393 120.3206 55.1037 29.9663 175.9003 89 D 4.7963 8.6553 123.0537 54.1243 42.8550 176.9275 90 C 4.7045 7.7758 116.6563 55.0570 44.1689 172.7254 91 V 5.2704 8.2781 118.5798 61.3709 34.7129 173.8407 92 E 5.2724 9.3219 125.0682 54.6634 33.2244 174.2447 93 I 4.7386 8.4070 120.9929 58.9091 40.6367 175.5316 94 Y 4.4231 8.3988 129.2838 57.4338 34.2845 175.3077 95 I 4.2107 7.9401 122.3636 62.6400 38.4349 176.9681 96 K 4.2415 8.9430 123.5696 56.0683 30.7377 175.0007 97 R 4.5684 7.3415 117.3376 55.0432 31.1820 176.7972 98 N 4.4467 8.6908 121.3500 55.4617 38.8318 175.1556 99 K 4.5045 7.0607 116.8209 55.6792 35.6223 175.0663 100 D 4.3734 8.8413 122.7955 54.9219 38.4760 173.6169 101 A 4.3900 7.9640 120.4994 53.7428 18.9367 178.9008 102 G 4.0755 8.9592 110.7866 45.3311 0.0000 174.3209 103 K 4.3410 7.7816 118.5254 56.3153 33.5540 176.2213 104 W 5.3045 8.4380 121.6117 55.5864 32.0335 175.0637 105 N 5.4904 8.6696 120.5018 52.2130 42.2571 173.4880 106 D 5.2661 9.0871 125.7938 54.0343 41.2680 174.4914 107 D 5.2190 9.9735 119.1575 53.0883 45.9527 174.2013 108 A 4.5133 8.6955 123.9152 51.9360 18.8305 179.5436 109 C 4.1308 8.9995 121.1644 59.9273 40.4420 175.2388 110 H 4.4183 8.1396 112.9339 56.4889 28.9905 175.7686 111 K 4.2832 8.1433 120.8640 56.3598 32.5973 175.4986 112 L 5.0501 8.2973 121.2862 53.9058 42.6451 176.2643 113 K 4.8280 9.4547 122.1538 53.5336 37.2025 175.6328 114 A 4.2932 8.0255 123.5267 51.9610 19.7367 176.7715 115 A 4.6756 8.7015 123.2732 51.4560 20.3168 176.3048 116 L 5.2251 8.6352 122.9700 53.7080 44.6608 174.7424 117 C 5.8249 9.9280 124.3310 55.2727 41.9818 172.2598 118 Y 5.3841 8.6368 116.6906 55.7862 41.6346 174.3006 119 T 4.6831 8.7354 116.5063 61.3703 71.6437 174.0185 120 A 4.7776 8.9648 130.0254 52.7305 19.2202 177.3316 121 S 4.6197 9.5612 116.8445 60.1235 64.0559 174.6157 122 C 4.1847 8.8199 118.4059 56.7874 40.3524 172.8419 123 Q 4.6609 8.1393 121.9680 53.2781 32.7987 173.3372 124 P 4.2116 0.0000 0.0000 65.4813 31.5263 177.8929 125 W 4.6084 7.9580 117.9846 55.2001 27.6700 175.3103 126 S 4.4819 7.8756 114.5412 58.8158 65.3578 176.0085 127 C 4.9463 7.8968 112.9097 54.6793 40.8764 173.6066 128 S 3.4444 8.9008 114.0423 59.7719 60.2983 174.0708 129 G 3.7191 7.8347 116.8443 46.4680 0.0000 175.1700 130 H 4.1687 9.2279 125.9792 55.6397 26.6952 173.0880 131 G 4.3533 7.7387 110.3102 44.3932 0.0000 170.4702 132 E 3.9952 8.1881 128.0080 56.3117 30.8172 175.7663 133 C 5.0023 8.7525 127.7390 55.4471 46.1596 172.4280 134 V 4.3675 8.8379 127.1361 61.0976 33.3310 174.3869 135 E 4.3018 8.3646 127.8891 55.8055 30.0022 175.9089 136 I 4.2934 7.9807 116.9293 58.3871 40.8538 174.1518 137 I 3.8117 8.0762 121.1153 62.4175 36.6620 175.6732 138 N 4.2206 8.8965 121.8006 53.5439 36.9508 173.5269 139 N 4.5744 7.3130 116.2743 53.5053 42.2189 171.9970 140 Y 5.3743 7.6740 115.3095 56.1200 41.6667 173.9795 141 T 4.6583 9.0209 108.5220 60.4997 72.7231 171.8978 142 C 5.3802 8.8189 119.5388 55.1717 42.3572 173.9582 143 N 5.1897 8.9263 119.3714 51.9197 37.2174 171.7544 144 C 4.6090 8.1552 114.6152 55.3087 42.3107 174.7882 145 D 4.7091 8.1170 119.8208 53.0490 43.6067 174.9968 146 V 4.4076 8.6612 119.9885 62.5569 31.6288 175.1946 147 G 3.4739 8.0011 123.0481 45.4185 0.0000 172.2450 148 Y 5.2658 5.7086 113.9541 56.2322 41.8529 173.3016 149 Y 4.5638 8.5685 115.4271 59.1714 42.2398 173.2256 150 G 4.2872 8.9870 110.0021 45.1501 0.0000 171.4161 151 P 4.5873 0.0000 0.0000 63.4321 30.3357 178.2822 152 Q 4.1962 9.5326 114.9361 56.2052 29.0533 176.1241 153 C 4.4982 8.0134 113.1700 58.3718 37.3108 173.0865 154 Q 4.1538 7.8835 113.1277 55.6308 29.7761 175.4843 155 F 4.6909 7.7565 115.4583 54.7940 40.0570 175.2770 156 V 4.7809 8.1893 122.5935 62.5473 31.3539 175.8238 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 W 8.36 5.35 0.00 3.43 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.72 4.53 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 3 Y 9.00 5.22 0.00 3.00 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 4 H 9.11 4.99 0.00 1.85 2.34 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.74 5.53 0.00 3.25 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 6 S 8.74 4.43 0.00 3.24 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 7 E 8.76 4.27 0.00 2.01 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 0.00 2.27 2.37 0.00 8 K 7.50 4.49 0.00 1.72 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.42 7.81 9 P 0.00 4.71 0.00 1.86 1.93 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 10 M 9.05 4.96 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 11 N 8.75 5.91 0.00 3.21 3.12 0.00 0.00 6.34 8.88 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 12 W 8.67 3.29 0.00 2.10 2.84 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 13 Q 8.26 3.97 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 14 R 8.81 3.93 0.00 2.00 2.00 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 15 A 8.26 3.97 1.29 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 0.00 0.00 16 R 7.62 3.50 0.00 0.67 1.38 0.00 3.30 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 17 R 7.81 3.84 0.00 2.02 1.95 0.00 3.33 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 18 F 8.50 4.04 0.00 3.11 3.32 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 19 C 8.72 4.52 0.00 3.16 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 20 R 7.83 4.28 0.00 1.70 1.92 0.00 3.39 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 21 D 7.83 4.33 0.00 2.52 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.45 4.08 0.00 1.54 1.59 0.00 0.00 6.88 6.74 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 23 Y 7.20 4.35 0.00 2.86 2.46 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 24 T 8.58 4.14 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 1.03 0.00 0.00 25 D 6.53 4.70 0.00 2.60 2.63 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 0.00 0.00 0.00 0.00 26 L 8.64 4.55 0.00 1.63 1.82 0.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.00 3.81 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 0.67 0.00 0.00 0.70 0.00 0.00 28 A 7.29 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 5.42 4.48 1.80 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 1.24 0.25 1.07 0.00 0.00 30 Q 9.76 4.48 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 31 N 7.56 4.94 0.00 2.96 2.91 0.00 0.00 6.37 6.94 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 32 K 8.47 3.98 0.00 1.88 1.85 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.70 7.81 33 A 8.07 4.01 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 34 E 8.84 4.05 0.00 2.30 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 0.00 2.59 2.64 0.00 35 I 7.53 3.71 2.06 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 1.68 0.89 0.98 0.00 0.00 36 E 8.45 3.95 0.00 2.31 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 2.34 2.32 0.00 37 Y 8.50 4.03 0.00 3.11 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 38 L 8.18 3.70 0.00 1.74 1.42 0.61 -0.07 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 39 E 8.29 3.86 0.00 2.10 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 2.30 2.35 0.00 40 K 7.68 4.06 0.00 1.92 1.86 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.22 7.81 41 T 7.13 4.04 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 1.08 0.00 0.00 42 L 7.28 4.10 0.00 1.40 1.18 0.21 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.43 0.00 2.14 2.04 0.00 3.13 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 44 F 8.75 4.36 0.00 2.95 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 45 S 7.69 4.15 0.00 2.95 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 46 R 7.93 3.25 0.00 1.54 1.74 0.00 3.23 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.49 0.00 47 S 7.22 4.11 0.00 3.82 3.80 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 48 Y 6.61 3.64 0.00 3.28 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 49 Y 7.92 5.22 0.00 2.95 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 50 W 9.31 5.30 0.00 3.35 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 51 I 9.04 4.58 1.89 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.84 0.00 0.00 52 G 8.91 4.37 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 0.00 53 I 7.77 5.20 0.75 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.06 0.41 0.00 0.00 54 R 8.90 4.80 0.00 1.66 1.53 0.00 3.01 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.27 0.00 55 K 7.90 3.87 0.00 0.79 0.90 0.00 0.89 0.00 0.00 1.23 0.00 0.00 2.50 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.79 0.21 7.81 56 I 8.41 4.17 1.81 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 1.16 0.61 0.87 0.00 0.00 57 G 9.42 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 58 G 8.35 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 59 I 7.17 4.49 1.85 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 1.24 0.80 0.96 0.00 0.00 60 W 8.90 4.56 0.00 3.41 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 61 T 9.22 4.98 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 62 W 9.01 4.71 0.00 3.49 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 63 V 8.96 3.77 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 0.90 0.00 0.00 1.21 0.00 0.00 64 G 8.97 4.18 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 0.00 65 T 8.14 4.36 4.39 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 1.37 0.00 0.00 66 N 8.29 4.40 0.00 2.96 3.00 0.00 0.00 7.09 6.03 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 67 K 7.72 4.78 0.00 2.07 1.92 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.69 7.81 68 S 8.74 4.78 0.00 3.87 3.90 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 69 L 8.82 4.52 0.00 1.71 1.77 1.36 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.74 4.83 4.35 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 1.37 0.00 0.00 71 E 8.85 4.05 0.00 2.03 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 2.38 2.29 0.00 72 E 8.32 4.07 0.00 2.18 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 0.00 2.42 2.39 0.00 73 A 8.00 4.20 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.00 3.35 0.00 2.15 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 2.21 2.63 0.00 75 N 5.77 4.40 0.00 2.20 1.42 0.00 0.00 7.22 7.95 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 76 W 7.74 4.71 0.00 3.08 3.11 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 0.00 0.00 0.00 77 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 78 D 8.53 4.70 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 9.37 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 80 E 7.72 4.55 0.00 2.29 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 0.00 2.40 2.68 0.00 81 P 0.00 4.43 0.00 1.99 0.49 0.00 2.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.00 82 N 8.56 4.64 0.00 2.83 3.16 0.00 0.00 7.17 7.92 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 83 N 9.19 4.10 0.00 2.87 2.79 0.00 0.00 6.74 6.72 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 84 K 8.31 3.87 0.00 2.11 1.86 0.00 1.96 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.53 7.81 85 K 9.51 3.89 0.00 1.95 1.87 0.00 1.99 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.37 7.81 86 N 8.42 4.40 0.00 2.79 2.86 0.00 0.00 6.89 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 87 K 8.34 4.43 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.62 7.81 88 E 8.64 4.94 0.00 2.24 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 2.31 2.52 0.00 89 D 8.66 4.80 0.00 2.48 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.78 4.70 0.00 2.59 2.25 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 91 V 8.28 5.27 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 0.83 0.00 0.00 0.81 0.00 0.00 92 E 9.32 5.27 0.00 1.93 1.71 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 2.17 1.66 0.00 93 I 8.41 4.74 1.80 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 1.29 1.90 0.90 0.00 0.00 94 Y 8.40 4.42 0.00 2.82 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 95 I 7.94 4.21 2.22 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.98 0.00 0.00 96 K 8.94 4.24 0.00 2.16 1.96 0.00 1.85 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 97 R 7.34 4.57 0.00 2.19 1.80 0.00 2.98 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 98 N 8.69 4.45 0.00 2.71 2.83 0.00 0.00 6.65 7.61 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 99 K 7.06 4.50 0.00 1.69 1.53 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.35 7.81 100 D 8.84 4.37 0.00 2.79 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 0.00 101 A 7.96 4.39 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 0.00 102 G 8.96 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 0.00 0.00 0.00 0.00 103 K 7.78 4.34 0.00 2.03 1.89 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.61 7.81 104 W 8.44 5.30 0.00 2.88 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 0.00 105 N 8.67 5.49 0.00 2.78 2.26 0.00 0.00 7.21 7.93 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 0.00 106 D 9.09 5.27 0.00 3.03 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 0.00 107 D 9.97 5.22 0.00 2.79 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 0.00 108 A 8.70 4.51 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 0.00 109 C 9.00 4.13 0.00 2.95 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 0.00 110 H 8.14 4.42 0.00 3.35 3.49 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.14 4.28 0.00 2.12 1.81 0.00 1.97 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.29 7.81 112 L 8.30 5.05 0.00 1.50 1.51 0.94 0.98 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 0.00 113 K 9.45 4.83 0.00 0.79 1.13 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.01 0.49 7.81 114 A 8.03 4.29 0.73 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 0.00 115 A 8.70 4.68 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 0.00 116 L 8.64 5.23 0.00 1.93 1.86 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 117 C 9.93 5.82 0.00 2.66 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 0.00 118 Y 8.64 5.38 0.00 2.61 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 0.00 119 T 8.74 4.68 4.38 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 1.26 0.00 0.00 120 A 8.96 4.78 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 0.00 121 S 9.56 4.62 0.00 4.17 4.18 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 0.00 122 C 8.82 4.18 0.00 3.05 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 0.00 123 Q 8.14 4.66 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 124 P 0.00 4.21 0.00 2.14 2.01 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 125 W 7.96 4.61 0.00 3.21 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 0.00 126 S 7.88 4.48 0.00 3.50 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 0.00 127 C 7.90 4.95 0.00 3.05 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 0.00 128 S 8.90 3.44 0.00 3.71 3.80 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 0.00 129 G 7.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 9.23 4.17 0.00 3.18 3.24 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.74 4.35 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 0.00 132 E 8.19 4.00 0.00 2.06 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 0.00 2.37 2.29 0.00 133 C 8.75 5.00 0.00 2.91 2.88 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 0.00 134 V 8.84 4.37 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 0.78 0.00 0.00 0.90 0.00 0.00 135 E 8.36 4.30 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 2.03 1.88 0.00 136 I 7.98 4.29 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.76 0.00 0.00 137 I 8.08 3.81 1.71 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 1.48 0.53 0.25 0.00 0.00 138 N 8.90 4.22 0.00 2.79 2.88 0.00 0.00 6.83 7.69 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 0.00 139 N 7.31 4.57 0.00 2.55 2.48 0.00 0.00 6.71 7.28 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 0.00 140 Y 7.67 5.37 0.00 2.98 2.84 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 0.00 141 T 9.02 4.66 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 1.09 0.00 0.00 142 C 8.82 5.38 0.00 2.96 3.11 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 0.00 0.00 0.00 143 N 8.93 5.19 0.00 2.67 2.76 0.00 0.00 7.02 8.32 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 0.00 144 C 8.16 4.61 0.00 3.35 3.18 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 0.00 145 D 8.12 4.71 0.00 2.83 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 0.00 146 V 8.66 4.41 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 0.92 0.00 0.00 1.01 0.00 0.00 147 G 8.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 5.71 5.27 0.00 3.02 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 0.00 149 Y 8.57 4.56 0.00 3.21 2.91 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 0.00 0.00 0.00 0.00 150 G 8.99 4.29 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 0.00 0.00 0.00 151 P 0.00 4.59 0.00 2.32 1.73 0.00 3.98 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 152 Q 9.53 4.20 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.40 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 153 C 8.01 4.50 0.00 3.14 2.97 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 0.00 154 Q 7.88 4.15 0.00 1.77 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.14 0.00 0.00 0.00 0.00 0.00 1.87 2.11 0.00 155 F 7.76 4.69 0.00 3.17 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 0.00 156 V 8.19 4.78 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 1.13 0.00 0.00 1.23 0.00 0.00