NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 48 D 4.4717 8.3493 120.3137 52.9384 40.4704 174.4978 *50 K 4.3132 8.2321 123.1884 56.9290 34.6512 174.6602 51 T 4.7917 9.0965 119.5536 62.4312 70.4396 173.6902 52 I 4.7928 8.2714 127.1934 59.2528 40.2595 174.6781 53 A 4.7527 8.8010 129.9241 51.3950 20.3159 175.9153 54 I 4.6637 8.9765 123.1811 59.8689 39.2960 175.0011 55 A 4.8293 9.4177 130.9484 49.9047 19.0805 172.4953 56 D 5.2061 8.1111 118.8084 52.3811 42.3219 176.8572 57 R 4.0952 9.2339 127.1038 58.4782 30.2583 178.2025 58 T 4.1287 8.4166 107.1853 61.1571 69.4231 176.1140 59 G 3.8761 7.7794 109.3026 45.9573 0.0000 174.0775 60 E 3.8760 7.8118 120.4705 57.8603 30.0373 177.2023 61 Y 4.5597 8.4408 115.5534 58.6615 38.8414 177.6362 62 E 4.2588 8.2649 119.7275 59.1683 29.3274 178.8110 63 Q 3.9737 8.0380 116.6815 59.1170 28.5776 178.1756 64 L 3.8868 7.7100 119.2834 56.0061 41.5437 177.4734 65 F 4.4691 7.5121 116.1346 56.8615 39.5820 176.5468 66 K 4.2469 8.0000 121.9652 58.8744 32.0609 177.3734 67 E 4.6264 7.9160 116.6581 56.0748 29.9134 175.0832 68 N 4.7548 8.2935 117.5391 53.2254 39.8347 174.1099 69 D 4.8925 8.7228 123.1139 53.1158 39.9650 176.3171 70 E 4.1408 8.7838 120.6323 57.0058 31.4228 176.2108 71 F 4.8574 7.7760 114.2442 55.5563 43.1151 175.5902 72 R 4.3925 8.7853 123.0773 55.1382 30.1383 174.5046 73 F 5.1122 8.6561 124.1524 56.7313 40.4288 175.3783 74 V 4.7073 8.7092 115.0921 59.5827 36.5334 173.9886 75 H 4.8377 8.8552 121.8105 55.6856 30.5400 174.5854 76 A 4.3441 8.6381 128.5866 52.4843 18.1723 177.2436 77 E 4.3288 9.1903 122.2662 56.7700 30.3199 175.8392 78 K 4.4773 7.3387 116.7636 53.5470 36.1531 176.0173 79 T 4.2338 8.4421 110.6358 60.9322 70.8457 175.4422 80 A 4.0857 8.5262 123.3520 55.6610 18.3172 179.6706 81 E 3.7832 8.0061 117.0183 59.3542 29.5287 178.7084 82 E 3.9206 8.2053 118.0838 59.6383 29.5963 178.4666 83 Y 4.5189 7.8657 115.9053 61.0737 37.9867 178.4585 84 R 4.2489 8.0313 118.7262 59.4181 30.2846 180.5099 85 K 4.2569 7.8324 115.2935 55.7025 32.4498 176.9571 *87 G 3.5970 7.6247 107.3129 44.9534 0.0000 174.6068 88 A 3.1731 7.4638 120.4597 54.9079 17.9762 179.8181 89 D 4.2699 7.7049 115.8590 57.3169 40.9910 178.7189 90 K 4.1582 7.8298 118.1482 59.3349 32.3065 179.0772 91 S 4.4908 8.1560 113.4867 58.9509 63.2822 175.4319 92 G 3.8793 7.7968 108.5078 45.6070 0.0000 172.7818 93 I 4.5062 7.3793 111.5965 59.0637 40.2166 174.8447 94 D 5.0311 8.7958 119.5011 55.5522 42.7540 176.3387 95 A 4.6556 7.3802 117.6858 51.0576 22.9762 175.1283 96 V 4.6225 8.6659 119.3622 60.9615 34.6835 174.1851 97 L 4.6269 8.6588 130.6610 54.2046 43.4729 174.6087 98 E 5.0551 9.2731 128.2710 54.4687 32.3111 174.3990 99 I 4.8925 8.9770 128.0072 59.9196 39.6306 176.1353 100 R 4.6400 8.9095 125.5430 56.4725 31.8284 175.9933 101 Q 4.5499 7.9653 117.3795 54.3213 32.0619 172.9060 102 D 4.5788 8.8052 121.3961 55.1639 41.1308 177.2331 103 L 4.5148 9.1625 125.7353 56.1499 42.1619 178.9527 104 L 4.1650 8.5152 119.2070 57.2669 42.0578 178.3332 105 E 4.1192 8.2942 117.2007 58.5486 30.0287 176.3685 106 D 4.6340 8.2720 120.4905 51.4208 41.7767 173.6490 107 P 4.5802 0.0000 0.0000 63.9438 31.6044 177.3553 108 N 4.5700 8.1662 115.2213 53.8689 39.1519 174.8206 109 A 4.6406 7.7392 123.0208 51.3423 19.1487 177.0279 110 V 5.0271 7.1547 118.1371 61.6358 34.8421 174.2508 111 A 4.3769 8.3735 121.7368 51.3325 23.1353 175.0941 112 I 4.6790 7.8049 119.5871 59.5477 40.1354 174.7702 113 Y 4.6331 8.8491 124.4319 56.0699 40.7488 175.1002 114 G 4.2731 8.4366 109.2962 44.3839 0.0000 172.4095 115 Y 4.3517 8.1604 118.5304 60.1127 38.0416 177.0661 116 K 4.6278 7.6722 116.4630 53.7756 34.8739 175.5486 117 Q 3.9949 8.5248 121.1600 56.7421 29.2953 175.7562 118 L 4.7325 8.0493 124.0823 52.0834 44.2295 174.7433 119 P 4.3983 0.0000 0.0000 62.3574 32.0624 177.6564 120 A 4.0715 8.5849 122.5758 54.9139 18.1303 180.0225 121 S 4.1207 8.2967 112.9091 62.0041 62.6001 176.9342 122 V 3.2269 7.6590 120.9078 65.7950 31.3110 178.0125 123 S 4.0342 7.9336 112.2604 61.4080 62.3281 175.0525 124 N 4.1983 8.4770 119.3347 57.2011 38.3379 176.6211 125 H 4.2913 8.8390 118.9517 59.5759 30.2025 177.6239 126 I 4.0085 7.9595 121.6105 64.6225 36.8872 178.6385 127 S 4.1638 8.6280 116.4134 61.7334 62.6458 177.0665 128 R 3.9816 8.2105 120.7627 59.0896 29.7819 179.2090 129 I 3.6321 7.7680 119.7154 64.3586 37.0598 178.5458 130 L 3.9939 7.9810 119.7945 57.9454 41.3743 179.7729 131 S 4.1523 8.4680 115.5420 61.6106 62.7186 176.5745 132 D 4.3230 8.3020 121.7252 57.2294 40.5401 177.9028 133 Y 4.1503 7.9523 120.0660 60.9796 38.8122 178.4792 134 L 3.8645 8.2390 119.7269 57.6739 41.7240 179.5923 135 S 4.0949 8.2702 115.3125 61.9169 62.7664 176.5588 136 D 4.4024 8.0836 121.3472 57.1337 40.2586 178.8603 137 K 3.7332 7.7769 119.6662 59.3377 32.5087 178.7882 138 K 4.1378 8.0186 118.7342 59.4199 31.9783 179.2788 139 I 3.7804 8.3440 120.2406 64.5302 36.9305 178.1881 140 A 4.2311 8.1113 119.6021 54.0501 18.2500 178.8440 141 S 4.3062 7.7595 111.4627 59.1005 63.6782 174.0049 142 Y 4.2667 7.6601 120.6147 57.6803 38.6572 176.0161 143 N 4.7698 8.4401 119.3843 51.8955 36.8767 173.2910 144 I 4.6104 7.5607 120.8315 58.2287 40.9310 173.4152 145 P 4.3305 0.0000 0.0000 63.8985 31.9984 175.5975 146 D 4.4661 8.8928 118.7382 55.5909 38.6187 175.7497 147 I 3.6981 7.4607 121.1064 64.1983 37.7840 177.7107 148 K 3.9748 8.0428 118.8380 59.5813 31.8637 179.1646 149 Q 3.9806 7.9854 117.7087 58.9969 28.5299 178.5693 150 I 3.6896 7.9034 120.0206 64.3354 37.5596 178.1199 151 L 4.1050 8.3633 119.9305 57.8484 41.3630 179.4901 152 A 4.0092 8.1458 120.7010 55.1974 18.1256 179.0481 153 D 4.3994 8.2151 115.0737 56.4889 41.4012 177.4775 154 S 4.5253 7.4738 113.2064 57.7119 63.6285 174.2227 155 K 4.2221 7.3356 122.4191 55.9463 32.5753 176.2872 156 I 4.4014 8.1856 123.5765 59.5815 38.9746 175.4673 157 E 4.4402 8.5733 124.4352 54.2851 30.1196 173.7887 158 L 4.4297 8.1994 124.5905 53.1595 43.3982 175.7875 159 S 4.5683 8.3737 122.3786 56.4824 63.9740 173.9695 160 V 3.6319 8.1463 126.2548 62.3502 31.7841 175.3410 161 H 4.1838 8.4094 125.0888 55.9664 29.0949 174.7895 162 T 4.2911 7.7849 120.2545 61.6586 71.0999 172.9744 163 Y 4.8640 8.0282 122.7557 55.8925 41.2302 174.7419 164 K 4.3140 8.4280 123.8399 54.4194 33.4984 176.4775 165 W 4.4770 8.5420 126.6089 56.6115 29.5505 176.2997 166 S 4.5640 8.6683 117.5910 58.6251 64.7409 172.9066 167 E 4.6291 8.3308 123.1853 56.9062 30.3288 176.2110 *174 T 4.2994 9.0065 107.7034 60.8520 70.5761 175.3288 175 S 4.0551 8.4616 119.4122 62.1267 62.7445 175.6113 176 G 3.8558 8.0078 104.9088 45.2935 0.0000 173.0205 177 E 4.4990 7.8769 119.8946 53.8172 30.3646 175.8499 178 L 3.9051 8.5122 123.4515 54.9042 42.1758 177.6476 179 A 4.3036 8.2860 125.0403 51.1744 19.2661 177.3298 180 S 4.2366 8.4366 114.1704 58.7604 63.1672 175.2479 181 G 3.7645 8.5415 110.6976 47.4192 0.0000 174.6496 182 I 4.0241 7.5841 119.9031 63.4671 37.8922 175.9364 183 S 4.3049 7.8771 120.1901 58.7587 62.5659 173.8438 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 48 D 8.35 4.47 0.00 2.80 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 *50 K 8.23 4.31 0.00 1.81 2.12 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.47 7.81 51 T 9.10 4.79 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 1.20 0.00 0.00 52 I 8.27 4.79 1.28 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 0.85 0.39 0.82 0.00 0.00 53 A 8.80 4.75 1.04 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 54 I 8.98 4.66 1.90 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.89 0.00 0.00 55 A 9.42 4.83 1.27 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 0.00 0.00 56 D 8.11 5.21 0.00 2.91 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 57 R 9.23 4.10 0.00 1.86 2.01 0.00 3.23 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 58 T 8.42 4.13 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 1.38 0.00 0.00 59 G 7.78 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 60 E 7.81 3.88 0.00 1.57 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 1.63 2.03 0.00 61 Y 8.44 4.56 0.00 3.20 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 62 E 8.26 4.26 0.00 2.06 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 2.48 2.45 0.00 63 Q 8.04 3.97 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 64 L 7.71 3.89 0.00 0.85 1.05 0.62 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.51 4.47 0.00 2.79 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 0.00 0.00 0.00 66 K 8.00 4.25 0.00 1.75 1.90 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.40 7.81 67 E 7.92 4.63 0.00 1.94 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 2.25 2.21 0.00 68 N 8.29 4.75 0.00 3.06 3.12 0.00 0.00 7.08 8.47 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 69 D 8.72 4.89 0.00 2.78 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 70 E 8.78 4.14 0.00 1.33 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 1.86 1.93 0.00 71 F 7.78 4.86 0.00 2.12 2.49 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 72 R 8.79 4.39 0.00 1.84 1.78 0.00 3.08 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 73 F 8.66 5.11 0.00 3.12 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.71 4.71 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 0.70 0.00 0.00 0.93 0.00 0.00 75 H 8.86 4.84 0.00 3.19 3.29 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.64 4.34 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 77 E 9.19 4.33 0.00 2.08 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 2.57 2.50 0.00 78 K 7.34 4.48 0.00 0.79 0.87 0.00 1.48 0.00 0.00 1.53 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.87 1.28 7.81 79 T 8.44 4.23 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 1.19 0.00 0.00 80 A 8.53 4.09 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 81 E 8.01 3.78 0.00 1.99 1.89 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 2.32 2.41 0.00 82 E 8.21 3.92 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 2.27 2.25 0.00 83 Y 7.87 4.52 0.00 3.11 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 84 R 8.03 4.25 0.00 1.87 2.14 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 85 K 7.83 4.26 0.00 1.93 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.41 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.72 7.81 *87 G 7.62 3.60 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 0.00 0.00 0.00 88 A 7.46 3.17 0.72 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 89 D 7.70 4.27 0.00 2.59 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.83 4.16 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 91 S 8.16 4.49 0.00 4.26 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 0.00 92 G 7.80 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 93 I 7.38 4.51 1.70 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 0.76 0.00 0.00 94 D 8.80 5.03 0.00 2.63 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 95 A 7.38 4.66 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.67 4.62 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 1.17 0.00 0.00 0.83 0.00 0.00 97 L 8.66 4.63 0.00 1.69 1.40 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 98 E 9.27 5.06 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 99 I 8.98 4.89 2.10 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 0.60 1.03 0.00 0.00 100 R 8.91 4.64 0.00 1.70 1.98 0.00 3.23 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 101 Q 7.97 4.55 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 102 D 8.81 4.58 0.00 2.78 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 0.00 103 L 9.16 4.51 0.00 1.75 1.65 0.48 0.34 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 0.00 104 L 8.52 4.16 0.00 1.87 1.76 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.29 4.12 0.00 2.12 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 2.33 2.33 0.00 106 D 8.27 4.63 0.00 2.63 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 0.00 107 P 0.00 4.58 0.00 2.21 2.24 0.00 3.43 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 108 N 8.17 4.57 0.00 2.92 2.89 0.00 0.00 6.87 7.29 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 0.00 109 A 7.74 4.64 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.15 5.03 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 111 A 8.37 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.80 4.68 1.65 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 1.18 0.54 0.72 0.00 0.00 113 Y 8.85 4.63 0.00 2.79 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 0.00 114 G 8.44 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 0.00 0.00 0.00 0.00 115 Y 8.16 4.35 0.00 3.02 3.02 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 0.00 0.00 0.00 116 K 7.67 4.63 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 117 Q 8.52 3.99 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 118 L 8.05 4.73 0.00 1.59 1.47 0.79 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.40 0.00 2.22 2.00 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 120 A 8.58 4.07 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 0.00 121 S 8.30 4.12 0.00 4.16 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 0.00 122 V 7.66 3.23 2.01 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 0.54 0.00 0.00 0.62 0.00 0.00 123 S 7.93 4.03 0.00 3.86 3.81 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 0.00 124 N 8.48 4.20 0.00 2.98 2.93 0.00 0.00 6.66 8.52 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 0.00 125 H 8.84 4.29 0.00 3.61 3.84 0.00 5.78 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 0.00 126 I 7.96 4.01 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.96 0.91 0.00 0.00 127 S 8.63 4.16 0.00 4.05 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 0.00 128 R 8.21 3.98 0.00 2.02 1.98 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 129 I 7.77 3.63 1.91 0.00 0.00 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 1.33 0.72 0.20 0.00 0.00 130 L 7.98 3.99 0.00 1.82 1.61 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.47 4.15 0.00 3.84 3.92 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 0.00 132 D 8.30 4.32 0.00 2.88 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 0.00 133 Y 7.95 4.15 0.00 3.08 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 0.00 134 L 8.24 3.86 0.00 1.76 1.73 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.27 4.09 0.00 4.01 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 0.00 136 D 8.08 4.40 0.00 2.79 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 0.00 137 K 7.78 3.73 0.00 1.18 1.75 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 138 K 8.02 4.14 0.00 2.05 1.95 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.60 7.81 139 I 8.34 3.78 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.87 0.00 0.00 140 A 8.11 4.23 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 0.00 141 S 7.76 4.31 0.00 3.93 3.92 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 0.00 142 Y 7.66 4.27 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.44 4.77 0.00 2.75 2.80 0.00 0.00 6.64 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.56 4.61 1.90 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 1.48 1.25 0.91 0.00 0.00 145 P 0.00 4.33 0.00 2.18 2.05 0.00 3.91 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 1.99 1.99 0.00 146 D 8.89 4.47 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.46 3.70 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.96 0.00 0.00 148 K 8.04 3.97 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.54 7.81 149 Q 7.99 3.98 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 150 I 7.90 3.69 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.58 0.90 0.00 0.00 151 L 8.36 4.10 0.00 1.78 1.70 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.15 4.01 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 0.00 153 D 8.22 4.40 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 7.47 4.53 0.00 3.90 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 0.00 155 K 7.34 4.22 0.00 1.70 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.76 1.55 7.81 156 I 8.19 4.40 1.86 0.00 0.00 0.85 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 0.84 0.90 0.00 0.00 157 E 8.57 4.44 0.00 1.89 1.86 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 2.18 2.18 0.00 158 L 8.20 4.43 0.00 1.57 1.53 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.37 4.57 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.15 3.63 1.99 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 0.71 0.00 0.00 0.87 0.00 0.00 161 H 8.41 4.18 0.00 3.00 2.69 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.78 4.29 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 1.06 0.00 0.00 163 Y 8.03 4.86 0.00 2.79 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 0.00 164 K 8.43 4.31 0.00 1.71 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 165 W 8.54 4.48 0.00 3.50 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.67 4.56 0.00 4.02 3.92 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 0.00 167 E 8.33 4.63 0.00 1.94 1.16 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 2.19 2.29 0.00 *174 T 9.01 4.30 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 1.21 0.00 0.00 175 S 8.46 4.06 0.00 3.88 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 0.00 176 G 8.01 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 0.00 177 E 7.88 4.50 0.00 2.07 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 2.23 2.38 0.00 178 L 8.51 3.91 0.00 1.63 1.63 0.92 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 0.00 179 A 8.29 4.30 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 0.00 180 S 8.44 4.24 0.00 3.99 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 0.00 181 G 8.54 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 0.00 182 I 7.58 4.02 1.87 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 1.41 0.60 0.91 0.00 0.00 183 S 7.88 4.30 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.