NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3977 0.0000 0.0000 61.8898 32.6134 176.0564 2 I 3.5761 8.4980 125.1003 61.1322 37.6839 170.5613 3 V 4.5161 8.3765 118.7462 59.7670 34.9394 175.2890 4 D 5.0408 8.3283 117.6636 52.6562 40.1532 174.9668 5 S 4.5961 7.8999 112.0112 58.6645 66.7482 175.8963 6 G 4.0173 9.9328 110.2623 45.3247 0.0000 175.5338 7 S 4.5577 8.0594 115.9757 57.2535 64.7607 173.7196 8 V 4.4762 7.9030 116.4396 58.8786 35.0817 175.7719 9 A 4.1382 8.3609 124.8823 51.3856 18.8959 176.0309 10 P 4.3340 0.0000 0.0000 62.4529 32.0092 176.7532 11 L 4.1825 8.2478 121.7501 54.8734 42.3647 177.8698 12 S 4.5932 8.7817 117.9041 56.9951 65.9463 175.5133 13 A 3.9535 8.3626 123.1614 55.2795 18.1148 179.6381 14 A 3.9552 7.9670 118.7313 55.5642 18.6361 179.6378 15 E 4.0354 8.2095 116.7822 59.2324 29.4558 179.7663 16 K 4.0531 8.0844 118.9442 59.5505 32.1460 179.5688 17 T 3.9300 8.1213 116.2097 66.3792 68.3812 176.7517 18 K 3.9754 8.1170 121.6237 59.5310 32.1385 178.9413 19 I 3.8907 7.7738 119.7581 64.5577 37.2036 178.4742 20 R 4.0695 8.1673 119.1426 59.5401 29.7213 179.3032 21 S 4.2637 7.9984 112.3728 61.2166 63.2571 176.0397 22 A 4.1559 7.9636 123.7829 54.5395 18.4275 179.0612 23 W 4.3468 8.8303 127.1753 60.0978 30.7747 177.7896 24 A 4.0510 8.0548 120.8029 55.1275 17.7338 177.8248 25 P 4.1282 0.0000 0.0000 65.6147 31.2950 178.9398 26 V 3.3970 7.4709 115.1929 66.2209 31.6592 176.9564 27 Y 3.9505 7.4359 119.3000 60.3093 38.4023 177.4601 28 S 4.3757 8.0194 114.3492 60.2397 63.1291 174.2161 29 N 4.7930 7.4111 121.1836 52.6377 39.4079 175.8993 30 Y 4.0321 7.8764 118.7668 59.8380 37.9712 176.9297 31 E 3.8644 7.2290 119.7656 59.6171 29.5020 179.3242 32 T 4.0643 7.5635 114.7649 66.3045 68.8675 177.0674 33 S 4.1996 8.2408 117.4123 61.6257 62.8645 176.9681 34 G 3.7726 8.7442 108.7957 47.9226 0.0000 175.8327 35 V 3.6082 7.4524 119.5475 65.6669 31.5942 177.7042 36 D 4.3540 8.1848 118.5920 57.4987 40.6419 178.7399 37 I 3.7296 7.8581 120.0639 64.4134 37.1041 178.1131 38 L 4.1149 8.1371 120.9036 58.3069 41.9417 179.0622 39 V 3.5304 8.0086 118.2784 65.8426 31.4254 177.6413 40 K 3.8816 8.6137 119.5935 59.6510 32.1753 178.3937 41 F 4.2642 8.6676 121.0855 61.2988 39.1086 176.5828 42 F 3.3533 8.6445 119.8149 61.4098 39.2783 176.3094 43 T 3.9791 8.2928 108.4563 64.5279 68.6662 175.6216 44 S 4.2664 7.8505 115.3524 59.8583 63.8510 174.5392 45 T 4.3592 6.9796 118.3213 60.1380 68.3974 172.2199 46 P 3.8803 0.0000 0.0000 65.3256 31.9115 178.8901 47 A 3.8780 7.7979 118.9626 54.5828 18.5148 177.7459 48 A 4.1912 7.3772 117.0215 52.5760 19.4636 179.1691 49 Q 3.7364 7.5991 116.4158 58.5868 28.4228 178.3792 50 E 4.0763 7.9177 116.8502 58.7393 29.5413 178.0893 51 F 4.6162 7.6124 116.7871 57.5280 40.5314 175.7549 52 F 4.5964 8.2107 118.4322 54.4209 38.8661 173.9372 53 P 4.2053 0.0000 0.0000 65.6108 31.8281 179.0800 54 K 4.2446 7.7746 115.7155 58.4211 32.3910 177.5276 55 F 4.7363 8.2561 116.6931 56.9716 39.2966 173.9220 56 K 4.0742 7.4435 121.9937 60.3400 31.4994 174.1270 57 G 3.5884 8.6654 118.9761 45.7690 0.0000 172.7955 58 M 4.5641 8.1021 120.5340 54.8156 33.0401 175.7487 59 T 4.5540 9.5681 111.1528 62.6854 71.3150 175.6246 60 S 4.4175 8.0003 116.4489 57.3198 65.4631 174.8436 61 A 4.0010 8.4471 124.6208 55.2325 17.9174 179.9791 62 D 4.2617 7.9218 116.6494 57.5082 41.2673 178.4567 63 Q 4.0410 7.7498 118.4544 58.9838 28.6594 178.4490 64 L 3.5970 7.5055 119.3131 58.1280 41.4925 180.0279 65 K 4.0028 7.7420 116.2916 58.3998 32.0916 178.6033 66 K 4.2464 7.6181 116.6970 55.6194 33.0415 176.5216 67 S 4.3667 7.2692 115.8031 57.3179 63.3522 174.8083 68 A 4.0931 8.6054 129.1546 55.2168 18.2599 179.5322 69 D 4.5323 8.1698 117.0754 57.6132 40.9930 179.0959 70 V 3.4124 7.3926 117.9592 65.9304 31.4132 178.1332 71 R 3.9560 7.7870 117.2806 59.1565 30.0054 178.7711 72 W 4.7416 8.6360 128.2066 60.9554 30.7101 177.4211 73 H 4.0475 8.6418 117.8617 59.3309 29.3170 177.1319 74 A 4.1135 8.6786 123.0025 55.1935 18.2231 179.4617 75 E 4.0772 9.0004 117.7715 59.7067 29.6957 179.8614 76 R 3.6945 7.7181 118.0522 58.9786 29.7253 179.1440 77 I 3.7242 7.8575 119.6390 64.5756 37.2418 178.4105 78 I 3.9467 8.2026 119.6538 64.2108 37.7245 177.5864 79 N 4.5474 8.3195 117.0898 55.7812 38.4544 177.2921 80 A 3.9409 7.9640 122.3704 55.0327 18.3557 179.8521 81 V 3.3873 7.6046 116.6297 65.8455 31.4532 177.7670 82 N 4.0256 8.0872 116.9162 56.6947 38.5236 176.5224 83 D 4.2277 7.9342 119.2247 57.2090 41.1391 178.4425 84 A 3.9685 7.5930 120.9195 55.0057 18.1843 179.7310 85 V 3.2424 7.6089 116.8789 66.0286 31.3444 177.7081 86 A 4.2138 7.9369 117.7567 53.4317 18.4150 177.8978 87 S 4.6522 7.5872 113.3513 58.3655 63.3147 176.0918 88 M 4.0487 7.6396 121.8025 57.5987 31.6419 176.9513 89 D 4.8437 7.9050 116.6314 53.9966 42.1166 176.7065 90 D 4.7441 7.9945 119.4318 51.9888 41.7873 175.6846 91 T 3.8569 7.8919 119.8871 66.0878 68.8490 175.4529 92 E 3.8599 8.1116 120.9552 59.2262 29.6822 178.6983 93 K 3.8661 7.9037 119.5383 59.5583 32.2897 178.1056 94 M 3.8933 7.8064 118.2402 59.0199 32.0969 178.4229 95 S 4.0715 8.3427 115.3173 61.7476 62.9831 176.5528 96 M 3.9900 7.9451 121.3166 58.4230 31.7652 179.0303 97 K 3.9557 7.9730 118.4506 59.5446 32.1849 179.5479 98 L 3.9941 7.9543 119.2117 57.6270 41.5796 179.7566 99 R 3.8779 8.5261 118.5999 59.1009 29.8621 178.5637 100 D 4.2415 8.0894 117.9099 57.2973 41.2988 178.0681 101 L 4.0030 7.9828 120.8302 58.0174 41.9759 178.8419 102 S 4.2583 8.4113 113.8494 61.3528 62.2475 176.3720 103 G 3.4736 7.8784 108.0960 47.7193 0.0000 175.8138 104 K 3.5188 7.6697 120.5640 59.1558 31.9352 179.1712 105 H 4.3687 8.0259 116.1318 58.8551 28.5226 177.7434 106 A 3.6447 7.5814 120.9248 55.1822 18.2689 179.5865 107 K 4.0229 7.9125 115.7336 58.3237 32.2470 178.0887 108 S 4.5475 7.4154 112.3429 60.0905 64.6451 175.5597 109 F 4.6275 8.3608 118.0987 58.5139 38.9028 175.4969 110 Q 3.6428 7.9369 118.3053 56.7445 26.7622 174.0758 111 V 3.4415 7.8450 109.4944 59.7137 32.5305 176.0039 112 D 4.0197 6.2353 123.5464 53.9616 41.6495 175.0678 113 P 3.3813 0.0000 0.0000 65.3983 30.9983 178.3113 114 Q 3.7808 7.3836 115.1498 59.4963 28.3310 178.3132 115 Y 4.4939 6.8672 116.4260 59.6188 38.0000 177.3696 116 F 4.2774 7.4510 119.8271 60.8053 39.1321 177.8311 117 K 4.0745 8.1591 117.3906 59.9385 31.8136 179.1044 118 V 3.7279 7.7333 119.2139 65.7227 31.7018 177.5920 119 L 3.6537 7.9079 120.0592 57.6672 41.8167 178.7163 120 A 4.1049 8.0706 120.5614 54.6269 18.1408 179.5361 121 A 4.0221 7.9525 119.8832 55.2069 18.4779 179.8726 122 V 3.6111 7.5719 115.9433 66.3244 31.5498 178.2573 123 I 3.8430 7.8032 118.7595 64.4378 36.9365 178.2633 124 A 4.1154 8.3153 121.5725 55.4229 18.0748 179.2629 125 D 4.3338 8.3033 115.5547 57.5637 41.3086 178.2441 126 T 4.1081 7.7879 115.8172 66.1723 68.6494 176.9346 127 V 3.8493 8.2010 119.5204 64.3446 32.0876 176.3568 128 A 4.2295 7.6873 119.7657 51.1164 20.7236 174.2914 129 A 4.1653 8.2761 124.1863 53.9740 19.3720 176.3782 130 G 4.2399 9.4015 114.6332 45.9635 0.0000 173.5251 131 D 4.3181 7.4876 120.9525 54.3984 41.9972 177.2629 132 A 4.1814 8.7949 129.5390 54.6716 18.6177 179.3538 133 G 3.5210 8.1049 104.4329 47.9955 0.0000 175.6501 134 F 4.0262 9.2083 123.8512 60.9753 39.4149 177.0772 135 E 4.0322 8.1602 118.2785 59.0848 29.1792 179.2222 136 K 3.8975 7.8520 119.6899 59.2112 32.1572 178.6215 137 L 3.7443 7.4788 120.2913 58.4290 41.9628 178.8982 138 M 3.8259 7.6168 118.4997 58.3187 31.7791 179.0649 139 S 4.5842 7.8186 116.7017 61.2622 63.0466 176.4218 140 M 3.9478 7.9819 121.3694 58.4441 31.6148 178.8902 141 I 3.5541 7.7351 119.8110 64.6636 37.0799 178.3718 142 C 3.9747 8.1135 116.4277 62.6111 28.3019 175.9392 143 I 3.9814 8.1310 123.0134 63.9535 36.8199 178.5116 144 L 3.9613 7.8606 119.6046 57.7157 41.2070 179.4732 145 L 3.8506 7.7931 117.7855 56.4605 41.7148 178.4834 146 R 4.7548 7.5069 116.8993 56.1385 30.4216 177.9980 147 S 4.1807 7.7655 114.4716 61.0758 62.8788 174.9476 148 A 4.2413 8.1841 123.1064 52.6633 18.9547 176.7238 149 Y 4.1828 8.0485 118.9927 58.0402 37.9878 175.3776 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 P 0.00 4.40 0.00 2.07 2.09 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 1.93 2.13 0.00 2 I 8.50 3.58 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.90 0.00 0.00 3 V 8.38 4.52 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 0.86 0.00 0.00 0.91 0.00 0.00 4 D 8.33 5.04 0.00 2.77 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 5 S 7.90 4.60 0.00 3.93 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 6 G 9.93 4.02 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 0.00 0.00 0.00 7 S 8.06 4.56 0.00 3.77 3.66 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 8 V 7.90 4.48 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 0.75 0.00 0.00 0.88 0.00 0.00 9 A 8.36 4.14 1.22 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 0.00 0.00 0.00 10 P 0.00 4.33 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 11 L 8.25 4.18 0.00 1.59 1.57 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.78 4.59 0.00 4.05 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 13 A 8.36 3.95 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 14 A 7.97 3.96 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 15 E 8.21 4.04 0.00 2.18 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 2.34 2.35 0.00 16 K 8.08 4.05 0.00 2.00 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.65 7.81 17 T 8.12 3.93 4.40 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 1.24 0.00 0.00 18 K 8.12 3.98 0.00 2.00 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.80 7.81 19 I 7.77 3.89 2.07 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 1.78 0.82 1.01 0.00 0.00 20 R 8.17 4.07 0.00 2.07 2.06 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 21 S 8.00 4.26 0.00 4.09 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 22 A 7.96 4.16 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 23 W 8.83 4.35 0.00 3.59 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.05 4.05 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 25 P 0.00 4.13 0.00 2.11 2.07 0.00 3.75 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 2.10 2.13 0.00 26 V 7.47 3.40 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 0.47 0.00 0.00 0.81 0.00 0.00 27 Y 7.44 3.95 0.00 2.01 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 28 S 8.02 4.38 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.41 4.79 0.00 2.75 2.63 0.00 0.00 6.78 7.44 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 30 Y 7.88 4.03 0.00 3.08 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 31 E 7.23 3.86 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 32 T 7.56 4.06 4.48 0.00 0.00 0.00 0.00 0.00 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 33 S 8.24 4.20 0.00 3.82 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 34 G 8.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.45 3.61 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.04 0.00 0.00 36 D 8.18 4.35 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 37 I 7.86 3.73 2.17 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 1.49 0.92 1.03 0.00 0.00 38 L 8.14 4.11 0.00 1.93 1.71 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.01 3.53 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 0.94 0.00 0.00 0.87 0.00 0.00 40 K 8.61 3.88 0.00 2.07 2.08 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 41 F 8.67 4.26 0.00 3.19 3.41 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 42 F 8.64 3.35 0.00 2.89 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 43 T 8.29 3.98 4.25 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 1.33 0.00 0.00 44 S 7.85 4.27 0.00 4.01 4.02 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 45 T 6.98 4.36 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 0.98 0.00 0.00 46 P 0.00 3.88 0.00 2.06 1.99 0.00 3.48 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 47 A 7.80 3.88 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 48 A 7.38 4.19 0.35 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 49 Q 7.60 3.74 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 50 E 7.92 4.08 0.00 1.89 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 1.87 1.47 0.00 51 F 7.61 4.62 0.00 3.13 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 52 F 8.21 4.60 0.00 3.32 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 0.00 0.00 0.00 53 P 0.00 4.21 0.00 2.15 2.14 0.00 3.48 0.00 0.00 3.78 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 54 K 7.77 4.24 0.00 1.64 2.01 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.44 7.81 55 F 8.26 4.74 0.00 2.98 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 56 K 7.44 4.07 0.00 1.87 2.00 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 57 G 8.67 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 0.00 0.00 0.00 58 M 8.10 4.56 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 59 T 9.57 4.55 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 1.25 0.00 0.00 60 S 8.00 4.42 0.00 4.06 4.02 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 61 A 8.45 4.00 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 62 D 7.92 4.26 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.75 4.04 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 64 L 7.51 3.60 0.00 1.64 1.33 0.66 -0.16 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 65 K 7.74 4.00 0.00 1.69 1.82 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.68 7.81 66 K 7.62 4.25 0.00 1.80 1.80 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.54 7.81 67 S 7.27 4.37 0.00 3.67 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 68 A 8.61 4.09 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 69 D 8.17 4.53 0.00 2.92 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 70 V 7.39 3.41 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 0.67 0.00 0.00 -0.22 0.00 0.00 71 R 7.79 3.96 0.00 2.18 2.28 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 72 W 8.64 4.74 0.00 3.47 3.21 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 73 H 8.64 4.05 0.00 3.70 3.71 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.68 4.11 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 75 E 9.00 4.08 0.00 2.39 2.20 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 2.72 2.60 0.00 76 R 7.72 3.69 0.00 1.67 1.72 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 77 I 7.86 3.72 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 1.00 0.00 0.00 78 I 8.20 3.95 2.05 0.00 0.00 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 1.74 1.65 1.11 0.00 0.00 79 N 8.32 4.55 0.00 2.92 2.82 0.00 0.00 6.82 7.25 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 80 A 7.96 3.94 1.39 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 0.00 0.00 81 V 7.60 3.39 2.27 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 0.52 0.00 0.00 0.93 0.00 0.00 82 N 8.09 4.03 0.00 3.10 2.88 0.00 0.00 7.17 8.50 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 83 D 7.93 4.23 0.00 2.81 2.65 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 84 A 7.59 3.97 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 0.00 0.00 0.00 0.00 0.00 85 V 7.61 3.24 1.67 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 0.82 0.00 0.00 -0.03 0.00 0.00 86 A 7.94 4.21 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 87 S 7.59 4.65 0.00 3.95 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 88 M 7.64 4.05 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.39 0.00 89 D 7.91 4.84 0.00 2.62 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 90 D 7.99 4.74 0.00 2.66 2.44 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 91 T 7.89 3.86 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 1.16 0.00 0.00 92 E 8.11 3.86 0.00 2.00 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 2.35 2.35 0.00 93 K 7.90 3.87 0.00 1.92 1.88 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 94 M 7.81 3.89 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 95 S 8.34 4.07 0.00 3.95 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 96 M 7.95 3.99 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 97 K 7.97 3.96 0.00 1.76 1.82 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.58 7.81 98 L 7.95 3.99 0.00 1.69 1.59 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.53 3.88 0.00 1.96 1.93 0.00 3.09 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 1.59 1.71 0.00 100 D 8.09 4.24 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 0.00 101 L 7.98 4.00 0.00 2.00 1.79 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.41 4.26 0.00 4.04 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 0.00 103 G 7.88 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 0.00 104 K 7.67 3.52 0.00 1.45 0.74 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.21 1.51 7.81 105 H 8.03 4.37 0.00 3.76 3.92 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.58 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.91 4.02 0.00 1.67 1.77 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.30 7.81 108 S 7.42 4.55 0.00 3.40 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.36 4.63 0.00 3.08 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 0.00 110 Q 7.94 3.64 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 111 V 7.84 3.44 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 0.71 0.00 0.00 0.98 0.00 0.00 112 D 6.24 4.02 0.00 2.32 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 0.00 113 P 0.00 3.38 0.00 1.73 1.20 0.00 3.32 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 1.61 0.44 0.00 114 Q 7.38 3.78 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.01 1.16 0.00 115 Y 6.87 4.49 0.00 2.97 3.22 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 0.00 116 F 7.45 4.28 0.00 3.05 2.95 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 0.00 117 K 8.16 4.07 0.00 2.00 2.10 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.53 7.81 118 V 7.73 3.73 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 1.31 0.00 0.00 1.16 0.00 0.00 119 L 7.91 3.65 0.00 0.52 1.50 0.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.07 4.10 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 0.00 121 A 7.95 4.02 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 0.00 122 V 7.57 3.61 2.37 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 1.17 0.00 0.00 1.11 0.00 0.00 123 I 7.80 3.84 2.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.02 1.36 0.00 0.00 124 A 8.32 4.12 1.65 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 0.00 125 D 8.30 4.33 0.00 2.70 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 0.00 126 T 7.79 4.11 4.46 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 1.22 0.00 0.00 127 V 8.20 3.85 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 0.39 0.00 0.00 1.18 0.00 0.00 128 A 7.69 4.23 1.09 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 0.00 0.00 129 A 8.28 4.17 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 0.00 130 G 9.40 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 0.00 0.00 0.00 131 D 7.49 4.32 0.00 2.74 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 0.00 132 A 8.79 4.18 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 0.00 133 G 8.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 9.21 4.03 0.00 3.29 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.16 4.03 0.00 2.22 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 0.00 2.45 2.62 0.00 136 K 7.85 3.90 0.00 1.83 1.98 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 137 L 7.48 3.74 0.00 1.49 1.19 0.43 0.57 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 0.00 138 M 7.62 3.83 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.37 0.00 139 S 7.82 4.58 0.00 3.97 3.85 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 0.00 140 M 7.98 3.95 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 141 I 7.74 3.55 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.75 0.00 0.00 142 C 8.11 3.97 0.00 3.04 2.98 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 0.00 143 I 8.13 3.98 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.92 0.00 0.00 144 L 7.86 3.96 0.00 1.78 1.61 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.79 3.85 0.00 0.97 0.13 0.47 0.80 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 0.00 146 R 7.51 4.75 0.00 2.02 1.98 0.00 3.26 0.00 0.00 3.46 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 147 S 7.77 4.18 0.00 4.03 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 0.00 148 A 8.18 4.24 1.10 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 0.00 0.00 149 Y 8.05 4.18 0.00 3.14 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