NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3903 8.3049 118.1954 54.2618 33.2087 174.7775 2 K 4.3676 8.0238 119.4099 54.6874 33.9612 173.7599 3 T 4.6203 8.9308 123.0102 60.9643 71.4840 172.7683 4 P 4.4657 0.0000 0.0000 65.3151 32.6214 176.9206 5 L 4.5726 7.8763 118.5785 55.5763 42.1712 177.2310 6 V 4.7296 9.5232 122.5307 61.5261 35.6860 174.0499 7 T 4.3508 8.6085 116.6253 61.5719 69.6994 175.4840 8 R 3.9741 8.7141 121.8139 59.7094 30.1716 178.9561 9 E 4.1029 8.5545 117.1816 59.7141 29.5673 179.5549 10 G 3.8859 7.8540 103.9903 47.8926 0.0000 175.0168 11 Y 4.1183 7.9445 121.2082 60.8882 38.8180 177.4978 12 E 3.9734 8.1355 119.1310 59.6780 29.5330 179.7761 13 K 3.9781 7.8024 116.8479 59.6270 32.2847 179.1643 14 L 3.9674 7.7339 118.6133 57.9642 41.5221 180.0320 15 K 3.8496 7.9711 118.0966 59.4207 32.0219 178.9450 16 Q 3.9912 8.2180 120.1114 59.5117 28.8008 178.2269 17 E 4.0577 8.9076 119.6617 59.5402 29.6035 178.8895 18 L 3.5802 7.9416 119.7164 58.4144 41.9995 178.9388 19 N 4.3048 8.1612 116.8410 56.9885 39.0263 176.4057 20 Y 4.0470 8.6415 121.1738 60.2648 38.7811 177.8768 21 L 3.6450 8.8532 122.5692 57.6855 42.1042 178.4643 22 W 4.4341 8.1519 126.5209 59.1905 30.8322 177.3226 23 R 4.2513 7.8803 116.0476 56.2208 30.2602 177.1189 24 E 4.4101 7.6449 116.7408 56.9126 31.5826 177.1439 25 E 4.3782 7.4288 118.3356 57.6849 30.1641 177.8129 26 R 3.8552 7.9222 119.1180 58.9816 30.1548 176.5981 27 P 4.2411 0.0000 0.0000 65.4767 31.2538 177.9654 28 E 3.9222 7.6018 118.3895 59.3485 29.7197 178.9983 29 V 3.6202 8.0364 118.2256 66.5175 31.5564 178.0090 30 T 3.9326 8.0414 115.3918 66.7050 67.9328 176.6345 31 K 4.3180 7.9586 121.2096 58.6934 31.9617 179.3652 32 K 4.0761 7.9438 119.9938 59.7207 32.1213 178.9397 33 V 3.8109 7.7880 118.1324 66.6877 31.1187 177.8971 34 T 3.9544 7.7837 115.4472 66.4118 68.3715 176.3534 35 W 3.7801 8.2403 129.6263 60.2153 30.5984 177.7552 36 A 4.0357 8.5432 121.0587 55.2499 17.5517 179.5629 37 A 3.3317 7.2056 117.9759 55.0622 18.5464 179.4962 38 S 4.0548 7.3922 111.0182 61.8317 62.8549 176.5673 39 L 4.3217 8.6404 121.9342 57.0275 41.8244 177.6220 40 G 3.9098 7.2829 104.1395 45.6650 0.0000 171.2822 41 D 4.4482 8.0653 119.0808 53.7350 39.8061 177.4252 42 R 4.2345 8.6923 121.9476 59.9044 30.5126 178.3076 43 S 4.2514 8.1523 110.5531 61.3898 62.6562 174.9286 44 E 3.9598 8.2262 119.1582 58.7720 29.2476 176.1191 45 N 4.5475 7.9168 117.5413 52.9702 38.9891 175.2108 46 A 4.2386 8.5348 129.7126 54.0509 18.8235 178.5146 47 D 4.5703 8.3112 117.1704 57.2063 41.0292 178.0866 48 Y 4.3623 8.2933 120.0111 60.7343 38.5828 178.0586 49 Q 3.7896 7.8111 118.7044 58.9892 28.9671 177.7487 50 Y 4.2388 8.3791 120.9051 61.0650 38.9543 178.1145 51 N 4.0283 8.2244 117.0946 55.6971 38.5161 177.4247 52 K 3.8359 7.6057 121.1997 59.0466 32.1363 178.7703 53 K 3.7990 7.8297 119.9117 59.6410 32.1688 178.7394 54 R 3.3845 7.5457 118.7936 59.2904 29.7402 178.0585 55 L 3.9866 7.5771 119.6036 57.6825 41.9643 179.0587 56 R 3.8879 7.9792 118.3383 59.1854 29.9973 178.8244 57 E 3.9682 8.9650 119.2371 59.3093 29.4402 179.4003 58 I 3.6688 7.9369 120.1383 64.7092 37.4229 178.3760 59 D 4.4291 8.2572 119.2176 56.7302 40.5114 178.9421 60 R 3.8317 7.6379 119.6540 59.5471 30.2102 178.5217 61 R 4.0380 8.0490 118.4467 59.2924 30.0879 178.5505 62 V 3.6562 7.7990 118.3804 65.7530 31.3060 178.0279 63 R 3.7846 7.8073 118.1329 59.5002 29.9643 177.6308 64 Y 4.1402 8.0105 119.1861 60.8187 38.8225 177.8848 65 L 3.7370 8.3471 120.0650 58.2873 41.3412 179.5125 66 T 3.8292 7.6010 115.0463 66.7534 68.5441 176.6533 67 K 3.8275 7.7509 120.1214 60.1841 32.7483 179.0735 68 C 4.0689 7.9986 117.8398 62.3063 27.6242 175.9777 69 M 4.1384 7.7870 120.0980 58.4736 31.5943 178.2013 70 E 4.1896 7.6071 117.3649 58.8485 29.8225 178.2358 71 N 4.6701 7.8484 114.1768 53.1953 39.3141 175.1464 72 L 4.4851 7.3939 122.2359 54.8692 43.4516 176.1631 73 K 4.6199 9.4137 121.2324 54.6712 36.1915 176.0036 74 I 5.1751 8.1666 124.5674 59.9660 38.5525 176.1689 75 V 4.2814 8.1462 124.7876 61.2667 30.9176 174.3471 76 D 4.7953 8.3091 122.4466 52.9936 39.9404 173.1802 77 Y 4.9628 8.1913 122.2424 55.3273 41.8056 175.0384 78 S 4.5117 6.9721 122.0768 55.7753 65.3754 172.7496 79 P 3.7981 0.0000 0.0000 65.8451 30.3616 177.3511 80 Q 3.6285 6.4253 114.0127 60.2219 29.0993 178.2176 81 Q 4.3396 10.2203 128.6754 55.2267 27.6597 174.8014 82 E 4.5416 8.5766 123.6467 53.9654 32.9646 174.4252 83 G 4.4359 9.2480 112.0233 45.6975 0.0000 174.0310 84 K 4.2361 7.3566 118.6130 54.5003 33.2430 177.3530 85 V 3.4252 8.7769 123.0519 66.4540 31.2293 179.7427 86 F 3.2357 6.2217 107.2585 56.0750 40.9226 175.1619 87 F 5.3214 8.9356 122.0885 56.2001 43.0791 174.1470 88 G 3.7842 7.5098 110.5714 46.3435 0.0000 172.9216 89 A 3.9340 7.4244 120.5690 49.0176 21.4320 176.9085 90 W 4.2702 8.6394 123.8199 56.8810 30.1087 175.8378 91 V 4.8588 8.9790 125.5078 61.0058 34.1867 173.9952 92 E 4.7254 8.3480 124.8469 54.4398 32.2611 175.1128 93 I 5.2081 7.8050 116.1673 59.3641 41.6659 173.7989 94 E 5.0584 9.2505 121.8398 54.7513 33.3775 174.5602 95 N 5.0382 8.4281 118.2542 51.8901 42.3291 175.1811 96 D 4.3367 8.7511 123.7027 57.8354 40.9948 177.7881 97 D 4.4852 7.9045 115.1922 55.0379 41.1107 176.5412 98 G 4.1311 7.7649 108.6751 45.9073 0.0000 174.3477 99 V 4.1801 8.0295 119.6220 61.2112 32.4619 173.9349 100 T 5.1102 8.3992 117.4535 59.2401 69.7228 173.0240 101 H 4.9988 8.4876 125.5362 54.5845 33.5244 172.9991 102 R 4.7429 9.1481 122.4334 54.3215 31.4136 175.4464 103 F 4.9233 7.6221 115.9307 56.7337 39.6038 172.4690 104 R 4.5673 7.5199 121.2819 53.4930 32.2948 174.8961 105 I 4.2392 7.7648 126.3717 60.6367 38.5904 175.2398 106 V 4.2813 8.5705 119.6200 59.1339 36.5794 175.2267 107 G 4.0823 8.5881 110.7472 45.6299 0.0000 173.4520 108 Y 4.2822 8.7061 122.1039 60.4212 39.0054 176.6613 109 D 4.1144 7.9793 117.7834 56.8744 41.1864 177.0641 110 E 4.1176 7.6596 123.8888 53.9229 30.6551 174.3088 111 I 4.1569 7.1621 121.7020 58.8094 41.2365 174.2607 112 F 5.0320 8.0817 124.2294 55.9681 43.1185 175.3627 113 G 3.6730 8.7772 106.2439 47.0033 0.0000 175.0919 114 R 4.1569 7.8531 119.4631 58.0894 30.8043 178.0394 115 K 4.3657 8.1756 119.5138 58.3294 32.9181 176.9739 116 D 4.7816 7.8589 115.8570 52.4584 41.9237 174.9548 117 Y 4.8898 9.1132 123.3672 56.7282 38.7852 175.5047 118 I 4.4996 7.3234 120.1067 60.5262 41.1066 175.5710 119 S 5.5990 8.4286 121.1149 56.8582 64.2446 174.2444 120 I 3.8690 8.4826 122.1459 63.7181 39.1565 176.9431 121 D 4.8823 8.0872 120.7622 54.5237 40.6249 175.7940 122 S 4.7393 8.1879 113.7025 55.6116 65.3713 172.5132 123 P 4.1322 0.0000 0.0000 66.6026 31.0202 178.2706 124 M 3.8428 7.9116 115.5655 58.8855 31.8359 178.1842 125 A 3.9365 7.5354 119.5464 54.8172 18.8177 179.7544 126 R 3.9816 8.1575 116.9851 59.3195 30.0545 178.7512 127 A 4.0137 7.9175 119.2409 55.4391 18.6446 179.4971 128 L 4.1799 8.0797 114.7897 57.1278 41.4367 178.6553 129 L 3.7344 7.5832 117.7670 56.9201 42.7027 175.9432 130 K 4.7029 7.6909 125.2445 54.0353 32.8514 174.8632 131 K 4.5870 7.9101 119.9828 53.8306 36.4227 176.1375 132 E 4.1123 8.7440 123.7623 55.8425 29.9868 177.7347 133 V 3.7908 8.2782 120.4458 64.1380 31.4664 176.9975 134 G 4.3122 7.6961 108.0863 44.3333 0.0000 172.4502 135 D 4.8455 8.2010 119.4353 53.1220 44.2482 175.6337 136 L 5.4614 8.5052 121.5786 53.4148 41.9735 175.8562 137 A 4.7709 9.2870 127.0146 50.7835 20.6604 176.2434 138 V 5.0270 8.3844 119.6950 60.1945 34.5712 175.5164 139 V 4.6743 8.9633 115.1484 60.1537 36.0577 173.8961 140 N 5.6674 8.5610 121.1119 52.2053 42.5553 173.2737 141 T 4.3318 9.5561 114.4062 61.3186 70.7369 172.4581 142 P 3.4265 0.0000 0.0000 64.0832 32.0738 176.2518 143 A 4.2402 8.1913 128.2922 52.7505 20.2647 178.1822 144 G 3.8329 7.8877 106.5560 44.5986 0.0000 172.3763 145 E 4.9644 8.4566 124.1170 53.9582 31.6717 175.4082 146 A 4.3975 8.7652 124.5692 50.3689 23.2061 174.7857 147 S 4.9780 7.7612 115.4524 56.2530 65.3820 173.4645 148 W 5.2516 9.5927 122.6880 55.1578 34.1150 173.3907 149 Y 5.5727 8.4300 119.8586 56.1890 40.1268 175.4283 150 V 3.6147 8.8466 125.3580 63.5213 32.1352 174.2365 151 N 4.8801 9.4580 127.8254 53.9138 38.7190 173.8753 152 A 4.8042 7.6394 117.9650 50.1240 23.5856 174.2192 153 I 4.7575 8.4325 121.4965 59.6348 39.4455 174.9789 154 E 4.6758 8.9740 126.9009 54.7744 32.5305 174.6862 155 Y 4.7259 8.8782 123.0066 56.3816 39.5703 176.2672 156 V 4.0430 8.3465 123.3792 63.2096 31.7832 174.1606 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 4.39 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 K 8.02 4.37 0.00 1.82 1.82 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.64 7.81 3 T 8.93 4.62 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 1.22 0.00 0.00 4 P 0.00 4.47 0.00 2.05 2.35 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 5 L 7.88 4.57 0.00 1.47 1.68 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.52 4.73 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 1.11 0.00 0.00 1.05 0.00 0.00 7 T 8.61 4.35 4.69 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 1.16 0.00 0.00 8 R 8.71 3.97 0.00 1.96 2.09 0.00 3.29 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 9 E 8.55 4.10 0.00 2.13 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 2.47 2.52 0.00 10 G 7.85 3.89 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 0.00 0.00 0.00 11 Y 7.94 4.12 0.00 3.22 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 12 E 8.14 3.97 0.00 2.19 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 2.45 2.79 0.00 13 K 7.80 3.98 0.00 2.08 1.95 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.53 7.81 14 L 7.73 3.97 0.00 1.68 1.64 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.97 3.85 0.00 1.89 1.78 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.01 1.25 7.81 16 Q 8.22 3.99 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 17 E 8.91 4.06 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 18 L 7.94 3.58 0.00 1.94 1.79 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.16 4.30 0.00 3.04 3.07 0.00 0.00 6.73 7.58 0.00 0.00 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 8.64 4.05 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.85 3.64 0.00 1.94 1.69 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.15 4.43 0.00 3.20 3.39 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 23 R 7.88 4.25 0.00 1.72 1.71 0.00 2.57 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 24 E 7.64 4.41 0.00 1.77 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 2.31 2.28 0.00 25 E 7.43 4.38 0.00 1.94 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 2.24 2.30 0.00 26 R 7.92 3.86 0.00 1.94 2.13 0.00 3.58 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 27 P 0.00 4.24 0.00 2.18 2.08 0.00 3.64 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 2.26 2.13 0.00 28 E 7.60 3.92 0.00 2.26 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 2.36 2.37 0.00 29 V 8.04 3.62 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.00 0.00 0.00 30 T 8.04 3.93 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 1.24 0.00 0.00 31 K 7.96 4.32 0.00 2.20 1.96 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.46 7.81 32 K 7.94 4.08 0.00 1.90 1.88 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.59 7.81 33 V 7.79 3.81 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 1.17 0.00 0.00 1.03 0.00 0.00 34 T 7.78 3.95 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 1.19 0.00 0.00 35 W 8.24 3.78 0.00 3.59 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.54 4.04 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 37 A 7.21 3.33 1.06 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 38 S 7.39 4.05 0.00 3.71 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.64 4.32 0.00 1.85 1.85 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.28 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 41 D 8.07 4.45 0.00 2.90 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 42 R 8.69 4.23 0.00 1.91 2.24 0.00 3.31 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 43 S 8.15 4.25 0.00 3.87 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 44 E 8.23 3.96 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 45 N 7.92 4.55 0.00 3.19 2.85 0.00 0.00 6.97 8.03 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 46 A 8.53 4.24 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 47 D 8.31 4.57 0.00 2.99 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 48 Y 8.29 4.36 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.81 3.79 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 50 Y 8.38 4.24 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.22 4.03 0.00 3.01 2.83 0.00 0.00 6.72 7.02 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 52 K 7.61 3.84 0.00 1.58 1.78 0.00 1.41 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.31 1.30 7.81 53 K 7.83 3.80 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 R 7.55 3.38 0.00 1.30 1.63 0.00 3.09 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 55 L 7.58 3.99 0.00 1.72 1.71 0.91 0.93 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 56 R 7.98 3.89 0.00 2.03 1.92 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 57 E 8.97 3.97 0.00 2.07 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 0.00 2.31 2.49 0.00 58 I 7.94 3.67 2.07 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 1.55 0.74 0.90 0.00 0.00 59 D 8.26 4.43 0.00 2.66 2.68 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 60 R 7.64 3.83 0.00 2.06 1.95 0.00 3.08 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 61 R 8.05 4.04 0.00 2.03 1.96 0.00 3.38 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 62 V 7.80 3.66 2.21 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 0.79 0.00 0.00 0.99 0.00 0.00 63 R 7.81 3.78 0.00 2.03 2.20 0.00 3.18 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 64 Y 8.01 4.14 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.35 3.74 0.00 1.97 1.69 0.99 0.86 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 66 T 7.60 3.83 4.30 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 0.00 0.00 0.00 1.13 0.00 0.00 67 K 7.75 3.83 0.00 1.90 2.02 0.00 1.33 0.00 0.00 1.67 0.00 0.00 3.28 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.55 1.28 7.81 68 C 8.00 4.07 0.00 2.73 2.75 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 69 M 7.79 4.14 0.00 1.98 2.28 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 2.66 2.34 0.00 70 E 7.61 4.19 0.00 1.89 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 2.35 2.37 0.00 71 N 7.85 4.67 0.00 2.71 2.85 0.00 0.00 6.99 7.31 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 72 L 7.39 4.49 0.00 2.04 1.67 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.41 4.62 0.00 1.61 1.56 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.37 7.81 74 I 8.17 5.18 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.57 0.88 0.00 0.00 75 V 8.15 4.28 2.42 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 1.01 0.00 0.00 1.12 0.00 0.00 76 D 8.31 4.80 0.00 2.78 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 77 Y 8.19 4.96 0.00 2.92 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 78 S 6.97 4.51 0.00 3.57 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 79 P 0.00 3.80 0.00 1.96 2.26 0.00 3.60 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 2.02 2.36 0.00 80 Q 6.43 3.63 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.21 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 81 Q 10.22 4.34 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 82 E 8.58 4.54 0.00 2.09 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 2.28 2.46 0.00 83 G 9.25 4.44 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 0.00 84 K 7.36 4.24 0.00 1.72 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.48 7.81 85 V 8.78 3.43 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 0.88 0.00 0.00 0.92 0.00 0.00 86 F 6.22 3.24 0.00 3.34 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 87 F 8.94 5.32 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 88 G 7.51 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 0.00 0.00 0.00 89 A 7.42 3.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.64 4.27 0.00 3.47 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 91 V 8.98 4.86 1.91 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 0.88 0.00 0.00 0.97 0.00 0.00 92 E 8.35 4.73 0.00 1.88 1.73 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 2.15 2.16 0.00 93 I 7.80 5.21 1.97 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.78 0.74 0.00 0.00 94 E 9.25 5.06 0.00 2.17 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 2.30 2.34 0.00 95 N 8.43 5.04 0.00 3.14 2.67 0.00 0.00 7.47 8.37 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 96 D 8.75 4.34 0.00 2.66 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 97 D 7.90 4.49 0.00 2.65 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 98 G 7.76 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.03 4.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.01 0.00 0.00 100 T 8.40 5.11 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 1.25 0.00 0.00 101 H 8.49 5.00 0.00 3.19 3.07 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 9.15 4.74 0.00 2.01 1.98 0.00 3.02 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 103 F 7.62 4.92 0.00 2.75 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 0.00 104 R 7.52 4.57 0.00 0.67 0.66 0.00 2.64 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.78 0.00 105 I 7.76 4.24 1.82 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 1.19 0.87 1.05 0.00 0.00 106 V 8.57 4.28 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 0.50 0.00 0.00 0.82 0.00 0.00 107 G 8.59 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.71 4.28 0.00 2.84 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 0.00 109 D 7.98 4.11 0.00 2.62 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 0.00 110 E 7.66 4.12 0.00 1.86 1.64 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 2.20 2.29 0.00 111 I 7.16 4.16 1.90 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 1.60 1.12 0.99 0.00 0.00 112 F 8.08 5.03 0.00 3.12 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.78 3.67 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 0.00 0.00 0.00 114 R 7.85 4.16 0.00 2.07 2.01 0.00 2.90 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 115 K 8.18 4.37 0.00 1.87 1.92 0.00 1.96 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.61 7.81 116 D 7.86 4.78 0.00 2.62 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 0.00 0.00 0.00 117 Y 9.11 4.89 0.00 3.10 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 0.00 118 I 7.32 4.50 1.63 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.10 0.53 0.00 0.00 119 S 8.43 5.60 0.00 3.90 3.89 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 0.00 120 I 8.48 3.87 2.20 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.21 0.97 0.00 0.00 121 D 8.09 4.88 0.00 2.67 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 0.00 122 S 8.19 4.74 0.00 3.76 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 0.00 123 P 0.00 4.13 0.00 2.12 2.15 0.00 3.53 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 2.08 2.14 0.00 124 M 7.91 3.84 0.00 1.63 1.70 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.72 0.00 125 A 7.54 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.16 3.98 0.00 1.96 1.98 0.00 3.29 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 127 A 7.92 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.08 4.18 0.00 1.96 1.80 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.58 3.73 0.00 2.06 1.58 1.05 0.47 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 0.00 130 K 7.69 4.70 0.00 1.82 1.78 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.67 7.81 131 K 7.91 4.59 0.00 1.71 1.69 0.00 1.95 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.44 7.81 132 E 8.74 4.11 0.00 2.06 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 2.39 2.39 0.00 133 V 8.28 3.79 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 0.77 0.00 0.00 0.93 0.00 0.00 134 G 7.70 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 0.00 0.00 0.00 0.00 135 D 8.20 4.85 0.00 2.77 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 0.00 136 L 8.51 5.46 0.00 1.69 2.01 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 137 A 9.29 4.77 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 0.00 138 V 8.38 5.03 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 0.82 0.00 0.00 0.97 0.00 0.00 139 V 8.96 4.67 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 1.18 0.00 0.00 1.26 0.00 0.00 140 N 8.56 5.67 0.00 2.56 2.67 0.00 0.00 6.79 7.54 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 0.00 141 T 9.56 4.33 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 1.28 0.00 0.00 142 P 0.00 3.43 0.00 2.10 1.84 0.00 3.72 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 2.02 2.14 0.00 143 A 8.19 4.24 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 0.00 144 G 7.89 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 0.00 145 E 8.46 4.96 0.00 1.89 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 2.11 2.19 0.00 146 A 8.77 4.40 0.78 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 0.00 0.00 147 S 7.76 4.98 0.00 3.56 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 W 9.59 5.25 0.00 3.43 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.43 5.57 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.85 3.61 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 0.99 0.00 0.00 1.01 0.00 0.00 151 N 9.46 4.88 0.00 2.92 2.65 0.00 0.00 6.96 7.51 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 0.00 152 A 7.64 4.80 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 0.00 153 I 8.43 4.76 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 1.30 0.47 0.88 0.00 0.00 154 E 8.97 4.68 0.00 1.93 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 2.22 2.25 0.00 155 Y 8.88 4.73 0.00 2.83 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 0.00 156 V 8.35 4.04 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 0.75 0.00 0.00 0.97 0.00 0.00