NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1869 8.1727 122.0522 56.2958 34.0111 173.8125 2 V 4.5838 8.2489 127.7156 60.7417 32.4927 174.4818 3 F 4.4649 10.0115 129.1413 57.4568 40.2318 175.0522 4 E 4.3206 8.9735 121.3127 55.9141 30.7319 177.6144 5 R 3.4003 8.9286 122.6923 60.1935 30.1447 179.7758 6 C 4.3339 8.1052 115.4191 59.6507 40.3709 175.5097 7 E 3.8936 8.1328 120.7045 59.2244 29.2500 178.6011 8 L 3.5710 7.8829 119.9862 57.9043 42.1256 178.4479 9 A 3.9271 8.1097 121.1507 55.5430 18.2881 179.9256 10 R 3.9158 8.5405 116.6576 59.5949 29.9761 179.4940 11 T 3.9038 8.1169 115.9301 66.5778 68.5565 176.8473 12 L 3.8887 8.4575 121.3025 57.3310 41.6796 179.4850 13 K 3.8896 8.0218 119.7190 59.6099 31.9911 178.7882 14 R 3.9272 7.7239 117.4790 59.3105 30.0485 177.5905 15 L 4.2998 7.4825 115.6633 54.6435 41.7598 177.2008 16 G 3.8698 7.8668 106.7357 46.6262 0.0000 174.9514 17 M 3.9232 7.8060 121.4288 56.5915 32.4460 175.9117 18 D 4.5728 8.0416 118.0632 55.7868 41.3570 176.1030 19 G 3.9465 9.3227 115.4609 45.3000 0.0000 171.6683 20 Y 4.1899 8.2501 121.9570 58.9724 38.8492 176.4488 21 R 3.6638 8.8425 126.3376 57.2971 27.7273 177.1240 22 G 3.8551 8.4436 103.4742 46.0300 0.0000 174.0869 23 I 4.0923 7.7073 122.0661 59.5707 38.1725 176.0468 24 S 4.7449 8.3093 120.6057 57.7201 65.2362 174.9077 25 L 4.2005 8.7297 123.9062 58.5273 41.8453 179.1007 26 A 4.1929 8.1470 120.1784 55.2331 18.3554 179.2598 27 N 4.5084 8.0765 115.0175 56.3603 38.6556 177.7583 28 W 4.3325 8.2798 120.4428 59.9001 29.0433 178.6354 29 M 4.1434 8.5016 118.9240 58.4756 31.4385 177.8798 30 C 3.2596 8.3578 118.7880 59.2269 42.0971 175.1504 31 L 3.9697 8.1451 121.5817 58.4158 41.7289 178.8033 32 A 4.1720 8.1359 121.8368 54.2822 18.2416 179.4726 33 K 2.7144 7.9958 118.1221 59.2644 31.9762 179.1168 34 W 4.4614 7.3448 117.3048 59.1906 29.0891 178.4074 35 E 4.3411 8.4868 118.8943 58.6083 29.3031 177.7334 36 S 4.5343 7.8567 109.5973 56.4420 64.5017 174.1673 37 G 3.3333 8.1694 108.9199 47.1287 0.0000 173.2095 38 Y 3.6503 7.5846 112.5362 58.5974 35.7963 169.1359 39 N 5.3377 7.6762 118.6004 51.9036 40.5239 175.6663 40 T 4.0674 8.8958 116.9921 64.6555 69.1326 176.2731 41 R 4.2203 8.2669 118.5764 56.5436 30.7235 176.4858 42 A 4.2882 7.5817 120.5083 52.8555 19.2041 176.8540 43 T 5.1204 8.3592 110.8616 60.2049 72.6576 173.0899 44 N 4.8762 8.7464 121.6268 52.5830 42.2340 172.4228 45 Y 4.7065 8.7725 127.9328 57.2288 40.6799 174.0042 46 N 4.5905 8.9538 125.7849 51.1917 38.0821 175.2920 47 A 3.8542 8.2356 126.9608 54.9663 19.0053 179.3762 48 G 3.8432 8.1555 103.8972 48.4214 0.0000 174.9679 49 D 4.7750 7.5932 118.0262 52.6007 40.3397 176.1167 50 R 3.7344 7.8297 114.3362 56.8031 28.0651 175.2743 51 S 4.8825 6.9370 111.2532 57.0650 67.8503 174.5397 52 T 4.9454 8.6865 116.5764 61.9192 71.7116 172.6954 53 D 5.4966 9.0596 125.3925 53.0098 43.4047 175.0793 54 Y 4.8330 9.3068 120.6341 57.2755 41.7865 177.3907 55 G 4.4652 8.8811 110.2668 45.8349 0.0000 174.1896 56 I 3.8335 8.2649 116.7337 63.1460 38.0228 178.2269 57 F 4.7860 8.0154 115.1178 56.5714 39.9244 175.2436 58 Q 3.6663 7.7775 118.8664 57.0748 26.5264 174.1282 59 I 4.2352 8.2225 119.2013 60.6474 38.8483 176.2967 60 N 5.2423 9.0743 123.1475 52.7593 39.5700 175.8877 61 S 4.4366 9.0234 119.5053 61.3828 62.8831 176.8308 62 R 3.8907 8.1723 121.7223 59.8539 29.7332 178.1373 63 Y 4.1917 8.0335 115.6327 59.8834 37.6600 174.8378 64 C 4.9730 8.2061 111.3670 55.0083 44.0793 174.7404 65 A 4.1918 9.1859 123.5745 53.7317 19.1969 174.9346 66 N 4.6737 7.7002 117.3757 52.2995 35.0931 171.3447 67 D 4.2671 8.2330 119.7868 53.9399 41.2140 177.9485 68 G 3.9946 8.6960 116.5514 47.9669 0.0000 172.2438 69 K 4.4303 8.1219 116.6495 56.0587 36.8019 175.5100 70 T 3.5172 8.4373 115.4650 64.4790 65.7088 172.6938 71 P 4.4585 0.0000 0.0000 62.2210 32.7460 180.7689 72 G 3.7565 8.7121 110.0358 45.8853 0.0000 176.3885 73 A 5.3477 8.0833 129.2252 52.7572 20.2901 177.0695 74 V 4.6431 7.0609 115.0036 58.9093 35.1358 176.8849 75 N 4.6371 8.7279 121.5130 51.5628 37.1097 174.3704 76 A 4.3379 7.8585 123.1935 52.4238 19.4860 178.2867 77 C 4.6118 8.9471 119.3756 56.5918 41.8945 174.5376 78 H 4.6831 8.3825 121.4790 53.8286 27.3331 174.0424 79 L 4.4396 7.0717 118.0879 54.8890 43.4535 175.2160 80 S 4.5764 8.1652 113.8934 57.2122 64.6277 175.8712 81 C 3.9121 8.5411 118.8314 60.1472 41.0185 176.6222 82 S 3.8591 8.0050 115.0887 61.3748 62.5316 176.1137 83 A 4.0787 7.7496 122.0921 54.4157 17.8210 177.8830 84 L 4.4512 7.9639 115.1988 55.0454 41.8359 177.6813 85 L 5.0269 7.8139 117.6141 54.1796 43.0495 176.8258 86 Q 4.3034 7.8399 116.7272 55.5498 29.5380 175.8967 87 D 4.3957 8.6925 119.3000 57.2930 41.0149 176.7852 88 N 4.6054 7.9578 117.7118 52.9655 39.2112 174.6784 89 I 4.0904 8.4888 124.2097 61.3866 38.2463 176.7820 90 A 3.9332 8.9009 122.5005 56.0123 18.2574 179.6460 91 D 4.2454 8.0871 116.5588 57.3921 40.8930 178.5175 92 A 4.0318 8.0298 120.6766 55.4054 18.3866 179.6390 93 V 3.2938 8.0571 116.4961 66.0613 31.3582 177.9918 94 A 3.8198 7.7780 120.2906 55.2073 18.1526 178.8836 95 C 4.2077 8.2398 116.7207 59.7385 40.5283 175.5429 96 A 3.8931 8.1738 122.7451 55.2196 17.5939 179.7837 97 K 3.7582 7.5305 115.9920 59.0395 32.1323 179.7038 98 R 4.0746 7.3827 117.3717 59.0743 30.0381 178.6031 99 V 3.4667 7.8338 119.6809 65.3736 31.3188 178.4228 100 V 3.6795 7.8784 118.3014 64.9125 30.8288 177.9885 101 R 4.1176 7.7566 116.6166 57.0634 30.4164 176.7555 102 D 4.5925 7.6927 119.5908 53.2956 41.3622 175.6555 103 P 4.2094 0.0000 0.0000 65.1434 31.8814 177.0483 104 Q 4.3763 8.0803 115.6817 54.5771 30.7724 176.7536 105 G 4.1877 8.1749 108.0275 47.4041 0.0000 175.4933 106 I 3.9069 7.7856 119.6860 62.7031 38.1405 177.6729 107 R 4.3594 7.4974 117.0837 57.8171 30.2433 177.3794 108 A 4.1531 7.6510 121.6833 54.4539 18.5370 178.0190 109 W 4.7151 8.1234 116.8063 55.6616 30.1153 177.4940 110 V 3.7033 8.8675 123.3263 66.1582 31.0229 177.5305 111 A 4.0281 8.3879 120.0276 55.1839 17.9910 179.3130 112 W 4.0730 8.3050 126.8545 60.7601 30.6106 178.5643 113 R 3.7565 8.2039 116.5628 59.0311 29.6320 178.0927 114 N 4.4520 8.1839 115.3494 55.1178 39.0058 176.8652 115 R 4.1296 7.9336 117.0850 56.0676 31.4101 176.1479 116 C 4.6220 7.3462 114.6157 57.9908 42.4283 174.0616 117 Q 3.2841 6.7630 119.4440 57.5825 28.5616 176.0442 118 N 4.1155 8.6092 119.7660 53.9812 36.5378 173.9898 119 R 4.3814 7.4780 116.9830 54.0861 32.0493 175.7165 120 D 4.4344 8.4303 118.8385 54.7303 40.8995 176.6163 121 V 4.3586 8.3658 120.7487 62.7202 32.2134 178.3570 122 R 3.9527 8.0692 118.4158 59.5420 29.6060 178.0195 123 Q 3.8893 7.6738 116.2686 59.9789 27.9280 178.9477 124 Y 4.0759 7.5919 117.1392 59.9160 38.3246 177.1375 125 V 4.3267 7.9152 111.1702 60.8598 33.3358 175.7181 126 Q 4.1643 7.4247 119.7359 57.4822 28.7605 176.7418 127 G 3.8838 8.8561 110.4817 46.9036 0.0000 174.5714 128 C 4.6064 8.0835 115.2192 55.5946 40.9563 174.3467 129 G 3.9119 8.0227 107.1418 46.6758 0.0000 174.2529 130 V 3.9823 7.8847 118.0279 61.0636 31.8925 175.9814 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 K 8.17 4.19 0.00 2.00 1.70 0.00 1.24 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.21 7.81 2 V 8.25 4.58 2.09 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 10.01 4.46 0.00 2.81 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 4 E 8.97 4.32 0.00 1.93 1.87 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 2.43 2.39 0.00 5 R 8.93 3.40 0.00 1.98 1.97 0.00 3.43 0.00 0.00 3.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 6 C 8.11 4.33 0.00 3.00 3.12 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 0.00 0.00 0.00 7 E 8.13 3.89 0.00 2.06 2.28 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 2.69 2.44 0.00 8 L 7.88 3.57 0.00 1.34 1.30 -0.17 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.11 3.93 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 10 R 8.54 3.92 0.00 1.82 1.99 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 T 8.12 3.90 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 1.22 0.00 0.00 12 L 8.46 3.89 0.00 1.57 1.61 0.94 0.58 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 13 K 8.02 3.89 0.00 1.95 1.94 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.72 3.93 0.00 2.07 1.93 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 L 7.48 4.30 0.00 1.49 1.57 0.84 1.32 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 16 G 7.87 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 17 M 7.81 3.92 0.00 1.37 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 18 D 8.04 4.57 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.32 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 0.00 0.00 0.00 20 Y 8.25 4.19 0.00 3.20 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 21 R 8.84 3.66 0.00 2.06 1.94 0.00 3.44 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.55 0.00 22 G 8.44 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 0.00 0.00 0.00 23 I 7.71 4.09 1.85 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.05 -0.33 0.00 0.00 24 S 8.31 4.74 0.00 4.12 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 25 L 8.73 4.20 0.00 2.05 1.81 0.99 0.91 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 26 A 8.15 4.19 1.51 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 0.00 0.00 27 N 8.08 4.51 0.00 2.82 2.84 0.00 0.00 6.95 9.01 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 28 W 8.28 4.33 0.00 3.54 3.12 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 0.00 0.00 0.00 29 M 8.50 4.14 0.00 2.15 2.40 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 2.71 2.95 0.00 30 C 8.36 3.26 0.00 2.96 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 31 L 8.15 3.97 0.00 1.85 1.89 0.37 0.20 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 32 A 8.14 4.17 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 33 K 8.00 2.71 0.00 1.35 1.30 0.00 0.61 0.00 0.00 0.75 0.00 0.00 2.54 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.52 0.21 7.81 34 W 7.34 4.46 0.00 3.38 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.49 4.34 0.00 1.99 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 2.57 2.41 0.00 36 S 7.86 4.53 0.00 4.03 4.12 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 0.00 0.00 0.00 37 G 8.17 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.58 3.65 0.00 3.19 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 39 N 7.68 5.34 0.00 2.69 2.80 0.00 0.00 7.01 7.11 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 40 T 8.90 4.07 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 1.46 0.00 0.00 41 R 8.27 4.22 0.00 1.97 2.05 0.00 3.38 0.00 0.00 3.49 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 42 A 7.58 4.29 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 T 8.36 5.12 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 1.31 0.00 0.00 44 N 8.75 4.88 0.00 2.87 2.77 0.00 0.00 6.96 7.37 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 45 Y 8.77 4.71 0.00 3.00 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 46 N 8.95 4.59 0.00 2.44 2.64 0.00 0.00 6.56 7.27 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 47 A 8.24 3.85 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 48 G 8.16 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 49 D 7.59 4.78 0.00 2.69 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 50 R 7.83 3.73 0.00 1.91 2.08 0.00 3.19 0.00 0.00 3.19 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 51 S 6.94 4.88 0.00 3.91 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 52 T 8.69 4.95 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 0.69 0.00 0.00 53 D 9.06 5.50 0.00 2.71 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 54 Y 9.31 4.83 0.00 2.88 2.83 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 55 G 8.88 4.47 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 56 I 8.26 3.83 1.68 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 2.29 0.10 0.00 0.00 57 F 8.02 4.79 0.00 3.19 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 58 Q 7.78 3.67 0.00 2.61 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.79 0.00 59 I 8.22 4.24 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 1.00 0.00 0.00 60 N 9.07 5.24 0.00 2.90 2.91 0.00 0.00 7.43 7.20 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 61 S 9.02 4.44 0.00 4.27 4.59 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 62 R 8.17 3.89 0.00 1.44 1.66 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 63 Y 8.03 4.19 0.00 3.34 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 64 C 8.21 4.97 0.00 3.04 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 65 A 9.19 4.19 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 66 N 7.70 4.67 0.00 2.89 2.89 0.00 0.00 7.18 8.06 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 67 D 8.23 4.27 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 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 69 K 8.12 4.43 0.00 1.74 1.66 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.41 7.81 70 T 8.44 3.52 4.23 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 1.20 0.00 0.00 71 P 0.00 4.46 0.00 2.00 2.03 0.00 3.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 72 G 8.71 3.76 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 0.00 73 A 8.08 5.35 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 74 V 7.06 4.64 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.44 0.00 0.00 75 N 8.73 4.64 0.00 2.93 2.99 0.00 0.00 7.10 7.81 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 76 A 7.86 4.34 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 77 C 8.95 4.61 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 78 H 8.38 4.68 0.00 3.14 3.24 0.00 5.74 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 79 L 7.07 4.44 0.00 1.67 1.60 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.17 4.58 0.00 3.98 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 81 C 8.54 3.91 0.00 2.51 1.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 3.86 0.00 3.85 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 83 A 7.75 4.08 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 84 L 7.96 4.45 0.00 1.86 1.79 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.81 5.03 0.00 1.85 1.70 1.17 0.86 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 86 Q 7.84 4.30 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.05 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 87 D 8.69 4.40 0.00 2.67 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 88 N 7.96 4.61 0.00 2.69 2.75 0.00 0.00 6.91 7.94 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 89 I 8.49 4.09 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.75 0.00 0.00 90 A 8.90 3.93 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 91 D 8.09 4.25 0.00 2.73 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 92 A 8.03 4.03 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 93 V 8.06 3.29 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 0.66 0.00 0.00 0.95 0.00 0.00 94 A 7.78 3.82 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 95 C 8.24 4.21 0.00 3.08 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 96 A 8.17 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.53 3.76 0.00 1.54 1.34 0.00 1.20 0.00 0.00 0.98 0.00 0.00 2.50 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.67 7.81 98 R 7.38 4.07 0.00 2.07 2.10 0.00 3.08 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 99 V 7.83 3.47 2.09 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 0.71 0.00 0.00 -0.20 0.00 0.00 100 V 7.88 3.68 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 1.18 0.00 0.00 1.07 0.00 0.00 101 R 7.76 4.12 0.00 2.02 2.07 0.00 3.24 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 102 D 7.69 4.59 0.00 2.90 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 0.00 103 P 0.00 4.21 0.00 2.03 2.15 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 104 Q 8.08 4.38 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.95 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 105 G 8.17 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.79 3.91 1.13 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.70 -0.95 0.00 0.00 107 R 7.50 4.36 0.00 2.07 2.09 0.00 3.43 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.62 0.00 108 A 7.65 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.12 4.72 0.00 3.51 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.87 3.70 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 1.22 0.00 0.00 0.99 0.00 0.00 111 A 8.39 4.03 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 0.00 112 W 8.31 4.07 0.00 3.40 3.54 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 0.00 113 R 8.20 3.76 0.00 2.10 2.02 0.00 3.39 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 114 N 8.18 4.45 0.00 2.59 2.73 0.00 0.00 6.95 7.30 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 0.00 115 R 7.93 4.13 0.00 1.45 0.87 0.00 2.60 0.00 0.00 2.45 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 116 C 7.35 4.62 0.00 1.99 2.82 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 0.00 117 Q 6.76 3.28 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.39 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 118 N 8.61 4.12 0.00 2.81 2.83 0.00 0.00 7.04 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 0.00 119 R 7.48 4.38 0.00 1.82 1.83 0.00 3.24 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 120 D 8.43 4.43 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.37 4.36 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 1.16 0.00 0.00 1.05 0.00 0.00 122 R 8.07 3.95 0.00 1.99 2.02 0.00 3.17 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 123 Q 7.67 3.89 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.94 1.16 0.00 124 Y 7.59 4.08 0.00 3.24 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 0.00 125 V 7.92 4.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.07 0.00 0.00 126 Q 7.42 4.16 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 127 G 8.86 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 0.00 128 C 8.08 4.61 0.00 3.06 3.12 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 0.00 0.00 0.00 129 G 8.02 3.91 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 0.00 0.00 0.00 130 V 7.88 3.98 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 0.80 0.00 0.00 0.96 0.00 0.00