NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2887 8.3044 120.3479 55.2552 33.3003 175.1204 2 L 4.1178 8.0808 122.6962 52.7689 40.7671 174.1265 3 T 3.8865 8.6187 120.2308 64.2442 68.5643 173.8383 4 D 4.6109 7.6591 121.6978 50.7533 42.8236 173.2725 5 P 4.2174 0.0000 0.0000 65.5198 31.5150 178.3262 6 I 3.5438 7.7802 117.6431 64.3870 37.1890 178.2859 7 A 3.9582 9.1597 122.1813 54.9621 18.1025 179.1118 8 D 4.2299 8.3630 117.2408 57.6519 41.2577 178.2874 9 M 3.9409 7.8540 118.7128 58.5949 32.2860 178.2286 10 L 3.9097 7.7648 119.1194 57.8898 41.5234 179.8012 11 T 3.7956 7.7679 115.6240 66.5642 68.4395 176.8255 12 R 3.9856 7.9835 120.0762 59.5286 30.0846 179.1442 13 I 3.6035 7.6933 119.0788 64.3307 37.2183 178.4086 14 R 3.7561 8.1961 119.8492 59.4458 29.5764 178.2509 15 N 4.2451 9.0426 117.0561 56.2568 38.6074 177.2681 16 A 3.9642 8.3417 122.7281 55.4048 18.4703 179.6996 17 T 4.1743 7.9184 109.7137 64.6060 68.4832 176.7335 18 R 3.8554 7.6529 119.0311 57.8287 30.0470 177.7358 19 V 4.3138 6.6632 109.6316 60.5535 32.2323 174.9550 20 Y 3.0797 7.6364 116.6538 58.6852 35.3957 170.5050 21 K 4.2013 7.9648 117.9942 56.5853 33.0387 177.4732 22 E 4.2599 8.8535 122.9812 59.0261 30.4232 176.5138 23 S 5.0220 8.1080 113.6371 58.1456 64.4294 171.7430 24 T 4.5463 7.5774 122.4068 62.3492 69.2892 171.7369 25 D 5.4179 8.1551 128.9628 53.4243 43.0111 176.4250 26 V 4.5509 8.3300 114.1414 59.0620 36.3430 172.7556 27 P 3.4054 0.0000 0.0000 62.8770 31.5920 175.9649 28 A 4.3256 8.0016 126.5869 51.8903 19.3856 177.1510 29 S 4.5508 8.4177 114.3348 55.7668 66.2570 174.8060 30 R 3.9066 8.9654 123.7588 59.8213 29.8448 178.4903 31 F 4.4667 8.3675 119.2716 61.7808 39.3125 177.2846 32 K 3.6334 8.3982 118.1469 59.2489 31.7536 179.0044 33 E 3.5877 8.2429 119.7031 59.0481 29.0499 178.5853 34 E 3.9905 8.2123 118.7817 59.4580 29.5375 179.5349 35 I 3.4556 7.3303 119.5522 64.4210 37.1334 178.3035 36 L 3.8407 7.6208 119.7118 57.8458 41.2869 179.7012 37 R 4.1036 7.8611 117.8779 59.5903 29.9820 179.1449 38 I 3.7703 7.3258 118.8658 64.3962 37.1712 178.1873 39 L 4.0632 7.9962 119.6556 58.1492 41.2728 179.5733 40 A 4.2330 8.3476 121.8001 54.5613 18.2491 179.2673 41 R 4.0147 7.8683 116.4205 59.8332 30.0719 177.6124 42 E 4.0504 8.9598 113.8685 56.6486 29.2340 177.2323 43 G 3.8033 8.8731 108.0237 46.4836 0.0000 175.1434 44 F 4.6110 8.6045 120.5103 58.2615 39.2863 176.3741 45 I 4.7191 7.4452 113.2287 58.5295 40.3610 175.9342 46 K 3.8113 8.5173 123.3331 58.5448 32.3554 177.4377 47 G 4.1703 7.1596 104.1835 44.7326 0.0000 170.2741 48 Y 5.5549 7.5315 117.4865 56.4476 41.2615 173.8442 49 E 4.6454 9.2234 116.1163 54.8775 33.1494 175.0628 50 R 4.6459 8.6486 121.2098 57.2134 31.0369 175.8799 51 V 4.5054 8.7386 120.3046 62.2096 35.8576 172.0513 52 D 5.4499 8.7093 124.0570 52.6422 43.1554 175.8498 53 V 3.9385 8.8807 124.8402 61.8096 32.5005 174.9937 54 D 4.3872 9.8794 125.0862 55.1752 39.5622 173.7947 55 G 4.0947 8.5496 106.6166 44.7026 0.0000 174.3735 56 K 4.6203 7.9422 119.2139 53.8277 34.0647 173.9989 57 P 4.9763 0.0000 0.0000 63.6700 32.4759 174.7851 58 Y 5.0845 9.4585 120.0537 56.5767 43.4104 173.8183 59 L 5.2620 8.9721 120.2663 53.0039 44.8565 176.6332 60 R 4.1623 9.2318 124.9226 55.9944 31.5557 175.9706 61 V 4.5322 8.7008 124.3933 61.2685 33.9762 174.3182 62 Y 4.5867 9.0296 127.8885 57.1016 38.2992 175.5515 63 L 4.3969 8.7240 125.1609 54.4869 42.6792 176.8631 64 K 4.6213 7.8558 121.3391 55.0330 35.3283 174.5770 65 Y 4.8588 8.4385 122.4156 56.2580 43.1776 175.2901 66 G 4.0604 9.0160 110.1100 44.4966 0.0000 171.4638 67 P 4.6488 0.0000 0.0000 61.2377 32.8191 174.9606 68 R 4.1892 8.2727 118.7205 56.8896 30.7190 175.1886 69 R 4.7341 8.2704 122.1469 54.5981 33.5354 175.0073 70 Q 4.2869 8.5818 119.2777 55.3070 30.9194 177.1431 71 G 3.9191 8.5166 109.3918 44.2995 0.0000 171.6451 72 P 4.2656 0.0000 0.0000 63.6193 31.8216 174.8185 73 D 4.2522 8.4707 119.5865 54.6478 38.6103 171.3447 74 P 4.5097 0.0000 0.0000 62.5812 31.9398 177.0276 75 R 3.9795 7.7691 119.1695 56.0964 30.2058 175.0297 76 P 4.7926 0.0000 0.0000 62.1045 32.2770 175.8675 77 E 4.2911 8.8316 123.6734 56.2546 30.8640 176.4062 78 Q 4.6036 8.6301 124.5319 55.8782 29.6976 176.2766 79 V 3.9828 8.2126 119.4061 64.4912 32.1594 176.4863 80 I 4.3516 7.2494 120.9163 59.8615 35.7735 174.7250 81 H 4.3214 8.5615 121.5289 58.2320 29.5065 174.6610 82 H 4.2864 7.6067 117.9485 54.0552 33.7861 172.2091 83 I 4.7771 6.2742 125.6192 60.7601 39.4930 171.3695 84 R 4.4942 7.7363 128.5869 53.6025 32.7274 174.7102 85 R 3.7709 8.5658 126.4370 56.8965 30.4860 174.0345 86 I 4.4162 8.1150 122.2782 62.7633 39.3310 175.6229 87 S 4.2287 8.2088 118.5810 58.6076 63.0277 173.5485 88 K 4.6541 8.4263 124.5373 53.7919 36.2445 174.3439 89 P 4.1509 0.0000 0.0000 64.3631 31.9180 176.2685 90 G 3.8297 9.0928 107.2938 45.9479 0.0000 171.9927 91 R 3.7646 7.4411 118.4779 55.8063 31.0876 174.1510 92 R 4.0121 7.2893 118.5738 56.2845 31.3101 177.1171 93 V 4.1410 7.9336 120.4959 61.4595 34.2137 173.7715 94 Y 5.3990 8.4903 124.9744 56.3790 41.0587 175.6915 95 V 4.5840 8.3822 114.7594 59.4980 36.2754 175.9909 96 G 4.1457 9.2848 113.3421 44.6807 0.0000 175.2596 97 V 3.6506 8.2108 118.6707 63.7899 31.4355 177.3533 98 K 4.2385 7.9712 118.2679 57.3785 32.3813 176.8784 99 E 4.4735 8.0097 117.2539 55.7358 30.0314 175.8880 100 I 3.7654 7.6932 120.8448 60.4691 37.0084 174.1196 101 P 4.3517 0.0000 0.0000 63.2217 31.3345 176.6418 102 R 4.4227 8.0204 118.6403 53.9124 30.1078 175.3726 103 V 3.5645 8.0957 122.4415 64.1926 32.8590 176.3753 104 R 3.2122 9.1944 125.7285 58.4834 27.3831 175.9012 105 R 3.7917 8.9100 108.6688 57.0740 28.2015 176.2638 106 G 4.0684 8.5280 106.2939 45.1711 0.0000 176.0584 107 L 3.9483 7.9283 118.1667 55.8150 41.8542 176.4205 108 G 4.4867 7.4012 107.2908 43.5189 0.0000 171.0917 109 I 5.0213 9.1705 112.7429 59.1972 41.5631 174.0624 110 A 4.9561 8.4422 122.1697 51.1355 22.4938 175.2995 111 I 4.6203 8.4430 124.1228 60.2140 38.9903 175.4758 112 L 5.0767 8.9392 127.3312 53.0963 44.8191 175.6303 113 S 4.8924 9.0181 115.2491 57.1259 64.7081 173.0008 114 T 4.7565 8.7613 118.0576 59.4527 71.7147 175.4601 115 S 4.3061 8.7951 115.0265 59.7550 63.0135 174.6983 116 K 4.3152 7.9832 119.7180 56.2714 32.2517 175.7936 117 G 3.7673 8.4853 106.8987 44.0679 0.0000 172.5539 118 V 4.4484 8.0338 118.7378 62.3797 31.9417 175.2541 119 L 5.4418 8.8707 126.4662 51.9857 46.6665 175.9173 120 T 4.8550 8.4793 110.5844 60.7151 70.8172 175.5364 121 D 4.4106 8.7324 122.1632 56.9029 38.9816 179.2264 122 R 3.9033 7.9500 118.7994 58.9566 30.0832 178.4841 123 E 3.9454 8.0481 117.6254 59.4497 29.5037 179.3553 124 A 3.9771 8.3698 120.8843 55.2433 18.2816 179.4807 125 R 3.8416 7.8683 115.7679 60.1282 30.3342 177.7852 126 K 3.8495 8.4048 119.1192 59.7482 31.8487 177.7743 127 L 4.1777 8.3519 119.6138 54.8010 42.9222 177.3375 128 G 4.0393 8.0330 107.5540 46.4991 0.0000 172.5922 129 V 4.5702 7.9638 108.8600 59.6523 36.5176 175.3077 130 G 4.2252 9.3743 108.9052 44.9580 0.0000 171.7865 131 G 4.3150 8.1089 106.1815 43.6906 0.0000 171.3546 132 E 3.9640 8.6228 119.9241 57.0241 30.4749 176.6256 133 L 4.6801 9.1945 131.1088 53.3993 40.2606 176.2659 134 I 3.8160 7.8681 125.0020 63.4933 38.2379 175.4391 135 C 4.9802 7.8119 113.6167 57.9300 33.3420 171.0851 136 E 5.0081 8.4275 119.1258 55.2060 32.7971 174.9943 137 V 4.5484 8.4784 126.3049 60.7904 35.5746 175.1982 138 W 4.7610 7.7920 121.5607 57.3782 28.3075 174.0509 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 M 8.30 4.29 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 L 8.08 4.12 0.00 1.71 1.58 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.62 3.89 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 4 D 7.66 4.61 0.00 2.67 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 5 P 0.00 4.22 0.00 2.21 2.07 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 6 I 7.78 3.54 1.99 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 1.67 1.12 0.77 0.00 0.00 7 A 9.16 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 8 D 8.36 4.23 0.00 2.83 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 9 M 7.85 3.94 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 10 L 7.76 3.91 0.00 1.63 1.55 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.77 3.80 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 1.16 0.00 0.00 12 R 7.98 3.99 0.00 1.94 1.97 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 13 I 7.69 3.60 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.80 0.00 0.00 14 R 8.20 3.76 0.00 1.79 1.95 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 15 N 9.04 4.25 0.00 2.82 2.82 0.00 0.00 6.95 7.42 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 16 A 8.34 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 17 T 7.92 4.17 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 18 R 7.65 3.86 0.00 1.88 1.98 0.00 3.03 0.00 0.00 3.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 19 V 6.66 4.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.06 0.00 0.00 20 Y 7.64 3.08 0.00 2.95 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 21 K 7.96 4.20 0.00 1.94 1.79 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.54 7.81 22 E 8.85 4.26 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 23 S 8.11 5.02 0.00 3.84 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 24 T 7.58 4.55 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 25 D 8.16 5.42 0.00 2.59 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 26 V 8.33 4.55 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 0.72 0.00 0.00 0.83 0.00 0.00 27 P 0.00 3.41 0.00 1.69 1.58 0.00 3.56 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 1.90 1.74 0.00 28 A 8.00 4.33 1.19 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 29 S 8.42 4.55 0.00 3.98 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 30 R 8.97 3.91 0.00 1.89 2.11 0.00 3.35 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 31 F 8.37 4.47 0.00 2.96 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 32 K 8.40 3.63 0.00 1.83 1.67 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.29 7.81 33 E 8.24 3.59 0.00 1.99 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 0.00 2.38 2.32 0.00 34 E 8.21 3.99 0.00 2.35 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 2.59 2.63 0.00 35 I 7.33 3.46 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 0.72 0.00 0.00 36 L 7.62 3.84 0.00 1.04 1.08 0.36 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.86 4.10 0.00 2.13 2.05 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 38 I 7.33 3.77 2.03 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 1.55 0.81 0.99 0.00 0.00 39 L 8.00 4.06 0.00 1.89 1.82 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.35 4.23 1.48 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 0.00 0.00 0.00 41 R 7.87 4.01 0.00 1.94 2.15 0.00 3.29 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 42 E 8.96 4.05 0.00 2.19 1.85 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 2.53 2.54 0.00 43 G 8.87 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 0.00 0.00 0.00 44 F 8.60 4.61 0.00 3.21 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 45 I 7.45 4.72 2.10 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 1.62 1.11 0.93 0.00 0.00 46 K 8.52 3.81 0.00 2.09 2.00 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.68 7.81 47 G 7.16 4.17 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 0.00 0.00 0.00 48 Y 7.53 5.55 0.00 3.18 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 49 E 9.22 4.65 0.00 2.05 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 2.62 2.45 0.00 50 R 8.65 4.65 0.00 1.78 1.98 0.00 3.29 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 51 V 8.74 4.51 2.16 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 0.93 0.00 0.00 1.00 0.00 0.00 52 D 8.71 5.45 0.00 2.57 2.59 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 53 V 8.88 3.94 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 0.00 0.00 0.53 0.00 0.00 0.61 0.00 0.00 54 D 9.88 4.39 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.55 4.09 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 0.00 56 K 7.94 4.62 0.00 2.14 1.86 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.46 7.81 57 P 0.00 4.98 0.00 2.11 2.22 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 58 Y 9.46 5.08 0.00 2.89 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 59 L 8.97 5.26 0.00 1.52 1.62 0.76 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.23 4.16 0.00 1.81 1.27 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 61 V 8.70 4.53 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 0.96 0.00 0.00 0.94 0.00 0.00 62 Y 9.03 4.59 0.00 3.19 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 63 L 8.72 4.40 0.00 1.94 1.31 0.92 0.99 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 64 K 7.86 4.62 0.00 1.73 1.51 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.44 7.81 65 Y 8.44 4.86 0.00 3.10 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 66 G 9.02 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 0.00 0.00 0.00 0.00 67 P 0.00 4.65 0.00 2.25 2.23 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 68 R 8.27 4.19 0.00 1.81 1.86 0.00 3.13 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 69 R 8.27 4.73 0.00 1.71 1.83 0.00 3.23 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 70 Q 8.58 4.29 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.07 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 71 G 8.52 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 0.00 0.00 0.00 72 P 0.00 4.27 0.00 2.19 2.07 0.00 3.93 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 73 D 8.47 4.25 0.00 2.81 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 74 P 0.00 4.51 0.00 2.20 2.22 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 75 R 7.77 3.98 0.00 1.96 1.89 0.00 3.42 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.45 0.00 76 P 0.00 4.79 0.00 2.15 2.28 0.00 2.87 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 1.76 1.80 0.00 77 E 8.83 4.29 0.00 2.13 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 2.41 2.42 0.00 78 Q 8.63 4.60 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 79 V 8.21 3.98 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 0.88 0.00 0.00 1.00 0.00 0.00 80 I 7.25 4.35 1.76 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 1.33 0.75 0.71 0.00 0.00 81 H 8.56 4.32 0.00 3.28 3.53 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.61 4.29 0.00 1.40 1.31 0.00 5.89 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 6.27 4.78 1.52 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.44 0.66 0.00 0.00 84 R 7.74 4.49 0.00 1.60 1.66 0.00 3.29 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 85 R 8.57 3.77 0.00 1.79 1.76 0.00 3.51 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 86 I 8.12 4.42 2.06 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 1.11 0.95 0.88 0.00 0.00 87 S 8.21 4.23 0.00 3.77 3.70 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 88 K 8.43 4.65 0.00 1.74 1.60 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.40 7.81 89 P 0.00 4.15 0.00 2.16 2.07 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 90 G 9.09 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.44 3.76 0.00 1.89 2.01 0.00 3.31 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.31 0.00 92 R 7.29 4.01 0.00 1.77 1.43 0.00 3.36 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.42 0.00 93 V 7.93 4.14 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 0.92 0.00 0.00 0.90 0.00 0.00 94 Y 8.49 5.40 0.00 2.88 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 95 V 8.38 4.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 96 G 9.28 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.21 3.65 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 0.77 0.00 0.00 1.00 0.00 0.00 98 K 7.97 4.24 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.46 7.81 99 E 8.01 4.47 0.00 2.05 1.97 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 2.27 2.26 0.00 100 I 7.69 3.77 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.94 0.00 0.00 101 P 0.00 4.35 0.00 2.20 2.10 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 102 R 8.02 4.42 0.00 1.78 1.90 0.00 3.21 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 103 V 8.10 3.56 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 1.27 0.00 0.00 1.07 0.00 0.00 104 R 9.19 3.21 0.00 1.60 1.60 0.00 3.06 0.00 0.00 2.70 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 105 R 8.91 3.79 0.00 1.74 1.86 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 106 G 8.53 4.07 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 0.00 107 L 7.93 3.95 0.00 1.62 1.74 0.88 0.67 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 0.00 108 G 7.40 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 9.17 5.02 2.00 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 1.41 0.88 1.15 0.00 0.00 110 A 8.44 4.96 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 0.00 111 I 8.44 4.62 1.85 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 1.25 1.40 0.91 0.00 0.00 112 L 8.94 5.08 0.00 1.61 1.61 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.02 4.89 0.00 4.06 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 0.00 114 T 8.76 4.76 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 1.28 0.00 0.00 115 S 8.80 4.31 0.00 3.99 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 0.00 116 K 7.98 4.32 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.36 7.81 117 G 8.49 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 0.00 118 V 8.03 4.45 2.16 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 0.92 0.00 0.00 1.18 0.00 0.00 119 L 8.87 5.44 0.00 1.65 1.77 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.48 4.85 4.31 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 1.37 0.00 0.00 121 D 8.73 4.41 0.00 2.96 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 0.00 122 R 7.95 3.90 0.00 1.90 2.04 0.00 3.16 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 123 E 8.05 3.95 0.00 2.32 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 2.36 2.37 0.00 124 A 8.37 3.98 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 0.00 125 R 7.87 3.84 0.00 2.02 2.00 0.00 3.30 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 126 K 8.40 3.85 0.00 1.86 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 127 L 8.35 4.18 0.00 1.81 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.03 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 0.00 0.00 0.00 129 V 7.96 4.57 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 0.81 0.00 0.00 0.95 0.00 0.00 130 G 9.37 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 0.00 0.00 0.00 0.00 131 G 8.11 4.32 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 0.00 132 E 8.62 3.96 0.00 2.36 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 0.00 2.37 2.23 0.00 133 L 9.19 4.68 0.00 1.82 1.51 0.93 0.91 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 0.00 134 I 7.87 3.82 2.16 0.00 0.00 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 1.64 1.36 0.85 0.00 0.00 135 C 7.81 4.98 0.00 2.98 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 0.00 136 E 8.43 5.01 0.00 2.02 1.79 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 2.35 2.47 0.00 137 V 8.48 4.55 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 -0.36 0.00 0.00 0.64 0.00 0.00 138 W 7.79 4.76 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