NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0464 8.0549 114.0546 60.5569 32.9796 174.8848 2 L 3.8492 8.3201 121.9932 53.7387 41.9090 176.4001 3 S 4.0929 9.1873 119.9346 58.5079 64.8529 173.9674 4 A 3.9486 8.7774 130.3294 55.6203 17.8313 179.6521 5 A 4.0150 7.3999 118.4573 54.7643 18.5014 179.3301 6 D 4.3869 8.0908 116.4990 57.6125 40.9067 178.6264 7 K 3.9225 7.9580 118.9616 59.9032 32.2062 178.9161 8 S 4.1096 8.2280 113.9757 61.9483 62.8146 176.4037 9 N 4.4222 8.4036 120.2137 55.7861 38.1370 177.4267 10 V 3.4383 7.6000 119.2649 65.8059 31.6664 177.6301 11 K 3.8495 7.7730 117.6246 59.9745 31.9482 178.4686 12 A 3.9157 7.8881 119.4745 56.0877 18.2280 179.6205 13 A 3.7311 8.2267 117.7148 54.1799 18.3531 178.8455 14 W 4.6074 8.8110 125.5482 58.2039 31.4965 178.3822 15 G 3.7168 8.6157 106.3954 48.0311 0.0000 175.4139 16 K 3.7992 8.7429 121.2128 59.8509 32.4574 179.5592 17 V 3.5478 7.7700 118.1044 66.8694 31.6265 176.1348 18 G 3.8048 8.3305 108.6837 45.9431 0.0000 174.9280 19 G 3.6881 8.6079 110.4238 47.1302 0.0000 173.2722 20 N 4.2913 7.8700 117.1386 52.6517 39.0951 176.5830 21 A 3.4387 7.3197 123.1578 55.3491 18.2316 179.9446 22 G 4.0235 7.8523 99.3161 44.7530 0.0000 175.1131 23 A 3.9541 7.5457 124.1711 54.9889 19.0175 179.9276 24 Y 4.5069 7.5284 114.6114 60.9863 37.8548 179.1328 25 G 4.1735 8.2041 107.7358 47.3354 0.0000 175.5020 26 A 4.1065 7.5097 122.7490 53.6690 18.3986 179.3013 27 E 3.9270 8.2827 118.2968 59.0784 29.9412 178.2460 28 A 3.9461 8.2248 121.0620 55.1828 18.2696 179.1428 29 L 3.4715 7.8289 117.3464 58.3213 41.2599 179.6841 30 E 3.9923 7.9702 118.1743 59.1029 29.7139 178.9538 31 R 3.9982 8.1931 118.4646 59.0892 29.8824 178.7487 32 M 4.2416 7.7473 117.7774 58.7490 32.3333 178.1927 33 F 4.5949 7.4677 117.9924 60.7450 38.7874 177.5925 34 L 4.1369 7.6294 117.0661 57.8506 41.8260 179.1810 35 S 4.2574 7.8279 111.9550 59.4367 64.3348 175.3748 36 F 4.9266 7.9103 120.9637 55.8467 41.1607 172.9126 37 P 5.0274 0.0000 0.0000 66.9312 32.0805 181.1858 38 T 3.8953 7.3155 109.3575 63.3113 70.1591 175.1551 39 T 4.2105 8.2442 114.2937 63.5711 68.3811 175.9286 40 K 4.1384 9.1927 123.3013 59.6180 31.8379 178.7392 41 T 3.9109 7.7882 109.1914 65.5899 68.7051 175.3219 42 Y 4.0967 7.6212 119.4435 59.1632 38.8781 176.4164 43 F 5.2809 8.7309 120.1038 55.5876 38.7176 173.4810 44 P 4.4445 0.0000 0.0000 65.8987 32.0753 179.2351 45 H 4.2663 8.1255 112.3779 56.6971 28.5402 175.1932 46 F 4.4004 7.2581 118.6633 57.7125 38.7102 174.9887 47 D 4.8920 8.3780 120.8943 51.6403 40.4364 175.9303 48 L 4.0419 8.4142 123.8242 56.9451 42.1514 178.0473 49 S 3.9589 7.1247 111.9655 57.5771 63.3783 173.8863 50 H 4.0353 8.9958 122.7755 57.9087 29.8795 174.3892 51 G 3.7592 8.4119 116.4475 45.5595 0.0000 170.6633 52 S 4.4971 7.2322 116.0783 58.1512 65.4211 177.9990 53 A 3.5063 7.4722 125.9095 53.7489 19.8692 178.4967 54 Q 4.2695 7.8353 113.7606 57.9759 29.1017 178.8257 55 V 3.3384 8.1723 119.9579 65.8955 31.7104 177.9397 56 K 4.0057 8.2783 117.9265 59.5480 31.7363 179.2450 57 G 3.6467 8.0861 105.2295 48.1230 0.0000 175.1328 58 H 4.3564 8.9305 121.8958 59.1305 29.8755 177.6130 59 G 4.0051 10.3211 107.4609 47.7366 0.0000 175.3781 60 E 4.0685 8.0556 120.8457 58.4523 30.0446 178.7471 61 K 3.8904 8.1414 118.7865 60.4729 32.2484 178.3864 62 V 3.4050 7.9098 114.8549 66.5520 31.1694 176.9342 63 A 4.3240 8.4056 122.0922 55.1039 18.7098 179.4768 64 A 4.1172 8.2412 119.2616 55.0668 18.8450 179.0373 65 A 3.9503 7.9964 118.9061 55.8872 18.3579 179.3519 66 L 3.7629 8.5268 115.6332 59.5997 41.8176 180.6846 67 T 3.9666 8.6251 112.1538 66.2821 68.4865 175.8412 68 K 3.9391 9.2834 121.2200 59.6716 32.0713 179.4871 69 A 4.0764 8.2504 120.5999 55.3107 18.5776 179.5839 70 V 3.3503 7.9848 115.6020 66.3422 31.3795 177.2166 71 G 3.7129 8.0809 105.4980 44.6413 0.0000 172.9513 72 H 4.7565 7.4397 128.8978 53.3822 29.2345 174.9315 73 L 4.3026 8.3260 125.4476 57.1512 42.1319 178.6334 74 D 4.4891 8.2546 117.5680 56.5829 40.7107 176.0727 75 D 4.8782 7.7277 118.5394 52.2518 40.8200 175.6138 76 L 4.1365 7.9626 123.3641 56.1997 42.0394 176.4277 77 P 4.1868 0.0000 0.0000 65.3043 31.4716 177.7254 78 G 3.9530 9.0015 105.3966 46.2919 0.0000 175.7166 79 T 4.1295 7.4169 109.1679 62.6021 69.1547 175.1743 80 L 4.6469 7.3324 120.9897 54.6176 42.7571 178.0829 81 S 4.1814 8.2832 115.8107 61.1757 62.9697 176.2075 82 D 4.4350 8.0388 122.4218 57.4308 40.6936 178.5169 83 L 4.1177 7.9843 119.2315 57.6124 39.9805 179.4336 84 S 4.1035 7.6621 111.8156 60.7525 62.1028 175.7130 85 D 4.3855 7.8503 120.8917 57.2190 41.0232 177.7149 86 L 3.9079 7.8021 120.3546 58.5194 42.3659 178.3333 87 H 4.2512 8.5168 115.6818 57.8928 28.1510 176.7943 88 A 4.1336 7.3879 121.1636 52.8219 20.1786 177.6341 89 H 4.5343 7.5545 112.6535 57.6828 29.8292 176.9013 90 K 4.1731 7.8173 117.4977 59.3052 32.4613 178.3445 91 L 4.0813 8.0704 118.3799 56.0988 41.8294 176.6120 92 R 3.9154 7.8075 116.6497 55.5189 26.5228 174.0030 93 V 4.1924 8.4898 118.9493 60.7464 31.6891 175.2426 94 D 4.2595 8.3832 127.5735 52.8277 40.6208 175.5454 95 P 4.6448 0.0000 0.0000 65.9409 31.4898 178.1210 96 V 3.5765 8.1657 116.4775 66.5016 31.0783 177.6146 97 N 4.2220 7.9168 115.3276 56.1587 38.3037 176.9899 98 F 4.1513 7.6287 119.1399 60.9535 39.0453 177.9714 99 K 3.9717 7.7834 116.1811 59.5119 31.5674 179.2324 100 L 3.6688 8.3400 119.4717 56.7314 41.7575 178.9847 101 L 3.9866 7.8510 120.0269 59.6260 42.3021 178.6738 102 S 3.6647 8.1479 111.4511 60.9823 62.8033 175.8903 103 H 4.0666 9.3467 121.4596 59.9826 29.7421 177.6728 104 S 4.0772 8.2972 115.7939 62.1704 63.0063 175.9165 105 L 3.9214 8.4542 120.1473 58.2468 41.1325 180.1141 106 L 4.0052 8.3422 117.9823 57.7699 41.7445 179.5773 107 V 3.3768 7.5757 117.7138 66.6093 31.5696 177.9985 108 T 3.7328 7.9308 115.0164 67.0986 68.2435 175.7489 109 L 3.7474 8.1412 119.1351 58.2274 41.3966 178.9666 110 A 3.3889 7.3521 121.0878 55.8256 18.3730 179.3733 111 C 4.0502 7.9653 113.9107 62.2411 28.1281 174.9965 112 H 4.8377 7.3425 114.4772 55.0619 31.8585 174.2422 113 L 4.8721 8.3930 120.5342 52.4170 41.8380 175.1179 114 P 4.2187 0.0000 0.0000 66.0331 31.8832 178.5697 115 N 4.5751 8.0755 113.0713 55.9608 38.8567 176.4042 116 D 4.4781 8.1374 117.3430 56.9652 41.7285 177.4947 117 F 4.2096 7.9559 122.3470 57.8381 37.2566 174.7758 118 T 4.2116 7.4453 113.3578 61.0433 71.0379 172.9136 119 P 4.2857 0.0000 0.0000 65.8801 31.5023 178.7018 120 A 3.9767 8.1380 118.9605 55.3170 17.9542 179.6543 121 V 3.4652 7.4237 115.8214 65.9834 31.6116 177.6900 122 H 3.6651 8.5924 118.1523 59.8417 29.8559 177.8194 123 A 3.8476 7.3374 121.9152 55.0172 18.6221 178.4423 124 S 4.5361 7.4813 112.6972 59.4943 63.2997 176.7770 125 L 3.8955 8.2745 121.6480 58.6914 41.6245 178.6009 126 D 4.3026 8.2788 116.6476 57.9964 41.0900 178.4081 127 K 4.0224 8.3813 118.2759 59.7180 32.3264 179.1636 128 F 4.2402 8.6265 121.1318 61.2424 39.1162 177.2909 129 L 3.3798 8.3010 118.7009 57.5320 41.3060 178.9215 130 A 4.2320 8.0911 119.8093 55.5634 18.6281 178.7528 131 N 3.4577 8.6344 108.4673 56.9669 38.4841 178.5803 132 V 3.0451 6.3814 123.0701 65.7737 32.8157 177.3176 133 S 3.7366 8.4297 114.6735 61.8130 62.9225 176.4243 134 T 3.8970 7.6886 119.4834 66.2108 68.1801 176.1690 135 V 3.6502 7.6576 118.8307 66.4680 31.2268 177.4861 136 L 4.0121 7.4452 117.2438 56.4101 42.1160 177.8449 137 T 4.5016 8.3326 108.3663 60.9708 70.2838 175.5953 138 S 4.1886 8.2452 120.0676 62.2075 62.8635 176.3498 139 K 4.1305 7.2369 117.3855 59.0123 32.0521 178.1038 140 Y 4.4960 6.7793 116.3451 55.5005 35.2213 176.0808 141 R 4.2544 8.3902 119.2111 56.2401 29.0959 176.2284 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 V 8.05 4.05 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 0.89 0.00 0.00 0.93 0.00 0.00 2 L 8.32 3.85 0.00 1.73 1.64 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.19 4.09 0.00 3.87 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 4 A 8.78 3.95 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 5 A 7.40 4.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.09 4.39 0.00 2.85 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 7 K 7.96 3.92 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.62 7.81 8 S 8.23 4.11 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.40 4.42 0.00 2.88 2.84 0.00 0.00 6.64 7.40 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 10 V 7.60 3.44 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 0.40 0.00 0.00 0.65 0.00 0.00 11 K 7.77 3.85 0.00 1.90 1.86 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.66 7.81 12 A 7.89 3.92 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 13 A 8.23 3.73 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 14 W 8.81 4.61 0.00 3.29 3.13 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 15 G 8.62 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 0.00 0.00 0.00 16 K 8.74 3.80 0.00 1.95 1.95 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.97 7.81 17 V 7.77 3.55 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 -0.23 0.00 0.00 0.74 0.00 0.00 18 G 8.33 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 19 G 8.61 3.69 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 0.00 0.00 0.00 20 N 7.87 4.29 0.00 2.55 1.62 0.00 0.00 6.79 7.86 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 21 A 7.32 3.44 1.17 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 22 G 7.85 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 23 A 7.55 3.95 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 24 Y 7.53 4.51 0.00 3.05 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 25 G 8.20 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 26 A 7.51 4.11 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 27 E 8.28 3.93 0.00 2.15 2.18 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 2.33 2.38 0.00 28 A 8.22 3.95 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 29 L 7.83 3.47 0.00 1.67 1.42 0.76 0.43 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 30 E 7.97 3.99 0.00 2.09 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 2.37 2.46 0.00 31 R 8.19 4.00 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 32 M 7.75 4.24 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 33 F 7.47 4.59 0.00 3.08 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 34 L 7.63 4.14 0.00 1.69 1.75 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.83 4.26 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.91 4.93 0.00 3.28 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 37 P 0.00 5.03 0.00 2.27 2.36 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 38 T 7.32 3.90 4.33 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 1.28 0.00 0.00 39 T 8.24 4.21 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 1.34 0.00 0.00 40 K 9.19 4.14 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.23 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.24 1.72 7.81 41 T 7.79 3.91 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 1.29 0.00 0.00 42 Y 7.62 4.10 0.00 3.09 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 43 F 8.73 5.28 0.00 3.01 3.58 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 44 P 0.00 4.44 0.00 2.25 2.31 0.00 3.81 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 45 H 8.13 4.27 0.00 3.20 3.40 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.26 4.40 0.00 3.34 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 47 D 8.38 4.89 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.41 4.04 0.00 1.52 1.44 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.12 3.96 0.00 4.19 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 50 H 9.00 4.04 0.00 3.12 3.31 0.00 6.08 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.41 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 52 S 7.23 4.50 0.00 4.02 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 0.00 53 A 7.47 3.51 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 54 Q 7.84 4.27 0.00 2.67 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 55 V 8.17 3.34 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 0.92 0.00 0.00 0.68 0.00 0.00 56 K 8.28 4.01 0.00 2.05 1.87 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.52 7.81 57 G 8.09 3.65 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 0.00 58 H 8.93 4.36 0.00 3.45 3.36 0.00 5.82 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 59 G 10.32 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 0.00 0.00 0.00 60 E 8.06 4.07 0.00 2.08 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 2.31 2.61 0.00 61 K 8.14 3.89 0.00 1.85 1.96 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.70 7.81 62 V 7.91 3.41 2.33 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 1.06 0.00 0.00 0.80 0.00 0.00 63 A 8.41 4.32 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 64 A 8.24 4.12 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 65 A 8.00 3.95 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 66 L 8.53 3.76 0.00 2.08 1.29 1.23 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.63 3.97 4.67 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 1.38 0.00 0.00 68 K 9.28 3.94 0.00 1.96 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.55 7.81 69 A 8.25 4.08 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 70 V 7.98 3.35 1.93 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 0.66 0.00 0.00 -0.49 0.00 0.00 71 G 8.08 3.71 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 0.00 0.00 0.00 72 H 7.44 4.76 0.00 3.18 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.33 4.30 0.00 1.63 1.75 0.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.25 4.49 0.00 2.67 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 75 D 7.73 4.88 0.00 2.70 2.50 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 0.00 0.00 0.00 0.00 76 L 7.96 4.14 0.00 1.70 1.63 0.96 1.12 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 77 P 0.00 4.19 0.00 2.06 2.12 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 78 G 9.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.42 4.13 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 1.06 0.00 0.00 80 L 7.33 4.65 0.00 1.73 1.65 0.81 0.80 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 81 S 8.28 4.18 0.00 4.01 4.37 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 82 D 8.04 4.44 0.00 2.72 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 83 L 7.98 4.12 0.00 1.93 1.84 0.97 0.95 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 84 S 7.66 4.10 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 85 D 7.85 4.39 0.00 2.87 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 86 L 7.80 3.91 0.00 1.78 1.75 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.52 4.25 0.00 3.38 3.53 0.00 5.62 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 88 A 7.39 4.13 0.61 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 0.00 0.00 89 H 7.55 4.53 0.00 3.20 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.82 4.17 0.00 1.85 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 91 L 8.07 4.08 0.00 1.70 1.80 0.85 1.02 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 92 R 7.81 3.92 0.00 2.09 2.17 0.00 3.32 0.00 0.00 2.93 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 93 V 8.49 4.19 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 0.01 0.00 0.00 0.54 0.00 0.00 94 D 8.38 4.26 0.00 2.88 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 95 P 0.00 4.64 0.00 2.23 2.20 0.00 3.52 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 2.00 2.12 0.00 96 V 8.17 3.58 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 1.08 0.00 0.00 1.01 0.00 0.00 97 N 7.92 4.22 0.00 2.31 2.53 0.00 0.00 6.98 7.63 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 98 F 7.63 4.15 0.00 3.25 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 99 K 7.78 3.97 0.00 1.99 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 100 L 8.34 3.67 0.00 1.21 0.50 0.67 0.41 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 0.00 101 L 7.85 3.99 0.00 1.62 1.62 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.15 3.66 0.00 4.09 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 0.00 103 H 9.35 4.07 0.00 3.19 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.30 4.08 0.00 3.88 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.45 3.92 0.00 2.03 1.80 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.34 4.01 0.00 1.93 1.83 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.58 3.38 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 0.99 0.00 0.00 0.79 0.00 0.00 108 T 7.93 3.73 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 109 L 8.14 3.75 0.00 2.25 1.98 1.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.35 3.39 0.52 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 0.00 111 C 7.97 4.05 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.34 4.84 0.00 2.69 3.25 0.00 5.59 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.39 4.87 0.00 1.69 1.63 0.98 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.22 0.00 2.04 2.12 0.00 3.68 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 2.09 0.00 115 N 8.08 4.58 0.00 2.74 2.90 0.00 0.00 6.93 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.14 4.48 0.00 2.72 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 0.00 117 F 7.96 4.21 0.00 3.25 3.07 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 0.00 118 T 7.45 4.21 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 1.31 0.00 0.00 119 P 0.00 4.29 0.00 2.20 2.18 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 120 A 8.14 3.98 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 0.00 121 V 7.42 3.47 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 0.92 0.00 0.00 0.95 0.00 0.00 122 H 8.59 3.67 0.00 3.19 3.46 0.00 5.69 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 0.00 123 A 7.34 3.85 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 0.00 124 S 7.48 4.54 0.00 4.00 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 0.00 125 L 8.27 3.90 0.00 1.66 1.82 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.28 4.30 0.00 2.96 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 0.00 127 K 8.38 4.02 0.00 2.07 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 128 F 8.63 4.24 0.00 2.94 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 0.00 129 L 8.30 3.38 0.00 1.67 1.61 1.05 0.68 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 0.00 130 A 8.09 4.23 1.25 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 0.00 0.00 131 N 8.63 3.46 0.00 2.94 2.51 0.00 0.00 6.75 7.12 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 0.00 132 V 6.38 3.05 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 0.78 0.00 0.00 -0.19 0.00 0.00 133 S 8.43 3.74 0.00 3.85 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 0.00 134 T 7.69 3.90 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 1.14 0.00 0.00 135 V 7.66 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 1.13 0.00 0.00 0.86 0.00 0.00 136 L 7.45 4.01 0.00 1.20 1.27 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.33 4.50 4.36 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 0.85 0.00 0.00 138 S 8.25 4.19 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.24 4.13 0.00 1.46 1.79 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.35 7.81 140 Y 6.78 4.50 0.00 3.04 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 0.00 141 R 8.39 4.25 0.00 2.01 2.32 0.00 3.08 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00