NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0370 8.0544 114.0463 61.7303 33.2748 175.7934 2 H 4.2898 8.3367 121.8572 54.5431 27.9386 172.5710 3 L 4.5585 7.1822 122.4413 53.7310 44.4416 176.8455 4 T 4.3996 8.2946 111.8005 59.9626 71.6007 174.1535 5 P 4.2081 0.0000 0.0000 65.6649 31.3149 178.5747 6 W 4.1558 8.3127 126.3627 60.7134 30.5943 177.5908 7 E 3.8295 8.3504 117.9967 59.2802 28.9573 179.5125 8 K 3.8446 8.1702 118.6101 59.3419 32.0493 179.6749 9 S 3.9233 7.8595 115.1342 61.4972 62.7991 176.3372 10 A 3.6088 7.5298 123.7646 55.0383 17.8277 179.7591 11 V 3.3715 7.5284 116.3751 66.5328 31.6190 178.3198 12 T 3.9271 7.7106 114.8976 66.4977 68.0555 176.3741 13 A 3.9445 8.1294 121.9313 55.1155 18.7496 179.1906 14 L 3.8547 7.9040 118.6389 58.1366 42.2864 178.9143 15 W 4.2286 8.9405 128.8199 60.4622 30.3127 178.0655 16 G 3.7351 8.0644 105.0707 47.3568 0.0000 174.4054 17 K 4.3040 7.7432 117.7766 56.6779 32.4714 176.9404 18 V 3.6308 7.2662 120.2411 62.0048 32.0285 175.8868 19 N 4.5262 8.0982 125.4770 51.9288 38.7557 175.2335 20 V 3.5335 8.0724 127.5645 66.0756 31.7945 177.1372 21 D 4.3170 8.0151 117.7545 57.3844 40.8206 178.2755 22 E 3.8597 8.2816 119.6643 59.4178 29.6113 179.0848 23 V 3.6789 8.0527 118.5466 65.4866 31.5007 178.3621 24 G 3.6617 8.6872 106.4070 47.6327 0.0000 176.0363 25 G 3.5812 7.9144 108.1264 47.3587 0.0000 175.4991 26 E 3.9011 8.0450 120.8927 59.1336 29.5712 179.3471 27 A 3.9453 8.2182 120.9229 55.1304 18.5376 179.4807 28 L 4.0024 8.1159 118.9707 58.0412 42.2240 179.3089 29 G 3.5877 8.3899 106.0918 48.1091 0.0000 175.9405 30 R 3.9229 8.2810 121.4202 58.3702 29.8726 178.9567 31 L 4.0252 7.8924 120.3287 58.3534 42.2375 179.1799 32 L 4.0421 7.7796 119.9239 56.8923 41.2288 179.8048 33 V 3.5134 7.4095 117.5125 65.9134 31.6855 178.0543 34 V 3.5337 7.7701 116.9584 64.4599 32.6979 175.5641 35 Y 3.5867 7.4344 117.1686 53.7311 37.9842 173.7832 36 P 4.8582 0.0000 0.0000 64.4910 31.6579 177.6094 37 W 4.3681 8.3579 115.2287 59.7276 27.9722 178.1498 38 T 3.9946 7.5999 110.3031 64.4039 67.9374 176.1224 39 Q 4.4122 8.1446 121.2364 58.2370 28.3947 178.2535 40 R 3.6814 7.6648 117.0375 59.3076 29.0786 178.0684 41 F 4.2546 6.9673 116.0370 57.7047 40.0251 175.7300 42 F 4.4930 7.5592 118.2898 56.3678 39.3119 176.6764 43 E 3.9818 8.0151 124.2496 59.2504 30.1117 178.5721 44 S 4.3760 8.0490 111.7939 60.8364 63.1551 175.2548 45 F 4.5068 8.0331 119.5455 58.9259 39.6168 176.8517 46 G 3.9539 7.8334 106.9539 44.4032 0.0000 174.0740 47 D 4.4160 8.6620 125.0280 55.0058 41.1140 176.2404 48 L 4.8988 8.2447 126.8905 54.6303 43.4417 177.9406 49 S 4.3142 8.3599 116.4420 60.5429 63.4375 174.3363 50 T 4.7511 7.4444 109.8957 58.2249 73.1600 172.7867 51 P 4.1990 0.0000 0.0000 65.9878 31.3489 178.7912 52 D 4.4174 8.0707 116.9212 57.0255 40.5389 178.5050 53 A 3.9685 7.8058 120.5944 55.1076 18.6067 179.5322 54 V 3.6962 7.9678 116.8599 66.6619 31.4675 178.2893 55 M 4.2032 8.5410 117.1813 57.4631 31.8411 177.9657 56 G 4.0435 7.7728 103.3462 43.3094 0.0000 173.1255 57 N 4.4601 7.4319 121.6930 52.5542 39.3981 173.7357 58 P 4.2141 0.0000 0.0000 65.7524 31.3725 178.7920 59 K 3.5524 8.0978 117.2626 58.9920 31.6809 179.6565 60 V 3.5810 7.6046 118.1089 65.9155 31.6274 178.0930 61 K 3.8938 7.9939 118.0565 59.2528 31.8608 179.2696 62 A 3.9125 8.1735 121.3976 55.5448 18.2875 179.2896 63 H 4.3899 8.6520 117.3248 59.0507 29.8084 177.7305 64 G 3.5786 8.3440 108.0744 47.6868 0.0000 175.7586 65 K 3.9697 7.9462 121.1322 58.9448 32.0630 179.3650 66 K 3.9540 8.0184 119.7210 59.4732 32.2129 178.9841 67 V 3.6090 7.9929 118.6939 66.2432 31.6016 178.1023 68 L 4.4062 8.3778 118.5829 57.1926 41.3073 179.8614 69 G 3.6936 8.2240 106.2507 47.8550 0.0000 175.7822 70 A 4.1065 8.2519 123.6130 54.5707 18.1343 179.5982 71 F 4.1373 8.2644 118.7135 61.4415 39.7975 176.9099 72 S 4.1019 8.7933 113.1653 61.8045 61.9481 175.6468 73 D 4.5600 8.4978 121.6658 57.7297 40.5798 179.4707 74 G 3.4583 7.9594 105.5066 47.1795 0.0000 175.5014 75 L 3.8002 7.7387 120.1871 56.4465 41.5458 178.0179 76 A 4.3993 7.1312 119.1138 52.0263 19.3328 176.7436 77 H 4.9924 8.1121 116.1596 55.2515 29.9976 175.5780 78 L 3.9535 8.0334 120.4783 57.1701 41.7740 178.6649 79 D 4.4836 7.9364 117.4161 55.6196 40.4520 176.7860 80 N 4.9812 8.0385 116.7624 50.9864 38.6227 175.1070 81 L 4.0358 7.8020 123.2930 58.3172 42.1871 178.8053 82 K 3.9435 8.2069 118.3275 59.8542 31.7977 179.2600 83 G 3.6051 7.8757 104.5822 47.9601 0.0000 175.3017 84 T 3.7903 7.5471 117.0924 66.0068 68.7253 175.9507 85 F 4.7222 8.2864 117.4728 57.1521 39.2458 177.4653 86 A 4.0330 7.7212 123.3412 55.7501 18.1532 180.6927 87 T 3.8144 7.8228 113.4617 66.8687 68.5706 176.7907 88 L 4.1159 7.9833 120.4022 57.8014 41.8074 179.3534 89 S 4.3918 8.6982 114.7263 61.0838 62.3671 176.1693 90 E 3.9653 8.2047 121.1321 59.1790 29.0390 179.1837 91 L 3.9353 7.9656 120.5584 58.5014 42.2287 178.7815 92 H 4.2030 8.7026 116.3795 58.8918 28.4661 176.7464 93 C 3.5784 7.7062 120.7055 61.9681 31.0912 175.2708 94 D 4.2475 8.2050 121.3495 56.3026 40.6111 177.5410 95 K 4.2514 7.5889 116.4594 58.0493 33.4080 177.6849 96 L 4.0440 7.9431 116.8053 55.4552 42.3245 176.5926 97 H 4.2574 7.7226 113.7322 55.5255 25.9145 174.9409 98 V 3.7536 8.1993 118.1186 60.9107 32.8947 174.7179 99 D 4.4436 8.6689 127.2077 53.4399 41.7779 174.9697 100 P 3.5674 0.0000 0.0000 65.1922 31.7363 177.9538 101 E 3.9063 8.2441 118.2964 59.2176 29.2452 178.1941 102 N 4.2107 8.0571 116.7567 56.3955 38.5063 177.2551 103 F 4.4418 7.3836 119.0481 60.6671 38.9649 177.9800 104 R 4.0347 7.8647 117.3449 59.0306 29.9742 178.8856 105 L 3.7717 8.0739 119.1213 57.5809 41.4713 179.2504 106 L 4.1059 8.3270 120.7573 57.9699 42.0020 179.2588 107 G 3.6212 8.0598 105.8187 47.7927 0.0000 175.3310 108 N 4.4041 8.2124 119.0675 56.0781 38.5673 177.6043 109 V 3.6056 7.7978 119.4374 65.8908 31.6671 177.6333 110 L 3.8679 8.1632 120.3599 58.3244 41.9341 179.0435 111 V 3.6686 7.9053 117.9793 66.3244 31.3329 177.8217 112 C 4.1235 7.9454 116.1969 62.6453 27.9708 176.2152 113 V 3.5252 8.0246 120.2964 66.0016 31.0409 178.1185 114 L 4.0307 8.2299 118.8568 57.4899 41.3398 179.3967 115 A 3.5962 7.3254 120.6766 55.2448 18.1099 179.2102 116 H 4.1067 8.1526 115.8654 59.6278 30.0230 176.7222 117 H 3.9412 8.3263 119.2440 58.8627 29.9470 176.5865 118 F 4.5416 8.5052 118.1668 57.9384 39.6635 177.1795 119 G 3.8216 8.5751 108.4600 45.8953 0.0000 176.0410 120 K 4.1481 8.8240 120.5159 59.0665 32.6974 178.0888 121 E 4.0809 8.0052 120.1150 58.7237 30.0599 177.0787 122 F 4.5138 8.1009 123.2459 56.8396 37.9086 175.0195 123 T 4.1922 7.4075 115.7928 60.4855 71.2592 173.4672 124 P 4.2156 0.0000 0.0000 65.4920 31.4008 177.2908 125 P 4.3888 0.0000 0.0000 65.4119 31.2688 178.8989 126 V 3.5937 7.5809 116.9604 65.7804 31.3793 177.8938 127 Q 3.6338 7.6181 119.0974 59.0370 29.0509 177.8766 128 A 4.0585 8.0710 121.5586 55.2695 18.2409 179.4587 129 A 3.9527 7.9398 118.5303 55.7110 18.4436 179.5632 130 Y 3.9746 8.2780 114.8294 60.7360 37.8927 178.6071 131 Q 4.1224 8.6175 120.0919 58.9911 28.7674 178.7631 132 K 4.0405 8.0472 119.1812 59.1687 31.9308 179.7582 133 V 3.4733 7.5064 118.4562 66.2095 31.5449 178.6606 134 V 3.8695 8.3370 112.2813 64.2734 31.2607 178.5246 135 A 4.1375 8.3600 120.9608 55.1479 18.2364 179.9871 136 G 3.4916 8.4188 104.5629 47.7008 0.0000 176.2783 137 V 3.3645 8.0986 120.5937 65.5477 31.5489 178.0297 138 A 3.8218 8.0437 120.5729 55.1563 18.2637 179.0598 139 N 4.2334 8.3793 115.5427 56.8216 38.7741 176.9521 140 A 4.0228 7.8614 121.1709 55.1996 18.8472 179.4125 141 L 3.9057 7.9019 117.2122 57.3140 41.4630 179.1609 142 A 4.1893 8.0006 120.4123 54.1318 18.5215 178.6018 143 H 3.9248 8.0317 116.9584 59.2047 29.8899 175.7974 144 K 4.5557 8.3670 116.1976 56.2485 32.0637 176.1567 145 Y 4.1682 8.3190 118.2375 58.1699 38.4544 175.5385 146 H 4.4926 8.3118 118.0336 56.0393 28.5345 173.1360 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 4.04 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 0.88 0.00 0.00 0.85 0.00 0.00 2 H 8.34 4.29 0.00 3.20 3.23 0.00 5.72 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 3 L 7.18 4.56 0.00 1.59 1.53 0.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.29 4.40 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 1.32 0.00 0.00 5 P 0.00 4.21 0.00 2.25 2.18 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 6 W 8.31 4.16 0.00 3.40 3.24 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 7 E 8.35 3.83 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 8 K 8.17 3.84 0.00 1.90 1.76 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.61 7.81 9 S 7.86 3.92 0.00 3.72 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.53 3.61 0.41 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 11 V 7.53 3.37 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 0.59 0.00 0.00 0.46 0.00 0.00 12 T 7.71 3.93 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 1.22 0.00 0.00 13 A 8.13 3.94 1.30 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 0.00 0.00 0.00 14 L 7.90 3.85 0.00 1.87 2.06 0.34 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.94 4.23 0.00 3.82 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 16 G 8.06 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.74 4.30 0.00 2.15 2.09 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.58 7.81 18 V 7.27 3.63 1.05 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 -0.03 0.00 0.00 0.56 0.00 0.00 19 N 8.10 4.53 0.00 2.68 2.57 0.00 0.00 6.83 7.71 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 20 V 8.07 3.53 2.15 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 1.14 0.00 0.00 1.05 0.00 0.00 21 D 8.02 4.32 0.00 2.92 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 22 E 8.28 3.86 0.00 1.99 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 2.22 2.24 0.00 23 V 8.05 3.68 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 0.96 0.00 0.00 0.73 0.00 0.00 24 G 8.69 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 0.00 0.00 0.00 25 G 7.91 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 0.00 0.00 0.00 26 E 8.04 3.90 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 27 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 28 L 8.12 4.00 0.00 1.88 1.63 0.67 0.92 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 29 G 8.39 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 30 R 8.28 3.92 0.00 1.81 1.93 0.00 3.44 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 31 L 7.89 4.03 0.00 1.94 1.94 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.78 4.04 0.00 1.87 1.72 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.41 3.51 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 0.72 0.00 0.00 0.93 0.00 0.00 34 V 7.77 3.53 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.76 0.00 0.00 35 Y 7.43 3.59 0.00 2.38 1.43 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 0.00 36 P 0.00 4.86 0.00 2.29 2.15 0.00 3.91 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 37 W 8.36 4.37 0.00 3.49 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.60 3.99 4.41 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 1.09 0.00 0.00 39 Q 8.14 4.41 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 40 R 7.66 3.68 0.00 1.59 1.95 0.00 2.75 0.00 0.00 2.43 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 41 F 6.97 4.25 0.00 1.51 2.26 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 42 F 7.56 4.49 0.00 2.80 1.66 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 E 8.02 3.98 0.00 1.96 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 2.39 2.30 0.00 44 S 8.05 4.38 0.00 4.20 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 45 F 8.03 4.51 0.00 3.19 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 46 G 7.83 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 47 D 8.66 4.42 0.00 2.65 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 48 L 8.24 4.90 0.00 1.66 1.63 1.10 1.08 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 49 S 8.36 4.31 0.00 4.01 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 50 T 7.44 4.75 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.11 0.00 3.58 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 2.09 2.15 0.00 52 D 8.07 4.42 0.00 2.67 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 53 A 7.81 3.97 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 V 7.97 3.70 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 1.07 0.00 0.00 0.98 0.00 0.00 55 M 8.54 4.20 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 56 G 7.77 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 57 N 7.43 4.46 0.00 2.89 2.82 0.00 0.00 7.14 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.21 0.00 2.11 2.03 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 59 K 8.10 3.55 0.00 1.43 0.74 0.00 1.76 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.08 1.20 7.81 60 V 7.60 3.58 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 1.12 0.00 0.00 1.03 0.00 0.00 61 K 7.99 3.89 0.00 1.92 1.79 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.41 7.81 62 A 8.17 3.91 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 63 H 8.65 4.39 0.00 3.48 3.43 0.00 5.79 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 64 G 8.34 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 0.00 0.00 0.00 65 K 7.95 3.97 0.00 2.03 1.90 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.68 7.81 66 K 8.02 3.95 0.00 1.91 1.97 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 67 V 7.99 3.61 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 1.03 0.00 0.00 0.87 0.00 0.00 68 L 8.38 4.41 0.00 2.02 1.88 1.10 1.04 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 69 G 8.22 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 70 A 8.25 4.11 1.57 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 0.00 0.00 71 F 8.26 4.14 0.00 3.10 3.36 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 72 S 8.79 4.10 0.00 4.51 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 0.00 73 D 8.50 4.56 0.00 2.87 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 74 G 7.96 3.46 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 0.00 75 L 7.74 3.80 0.00 1.33 1.37 -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.13 4.40 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 77 H 8.11 4.99 0.00 3.15 3.11 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.03 3.95 0.00 1.53 1.71 0.74 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.94 4.48 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.04 4.98 0.00 2.83 2.92 0.00 0.00 6.81 7.53 0.00 0.00 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 L 7.80 4.04 0.00 1.72 1.95 0.97 0.89 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 82 K 8.21 3.94 0.00 1.78 1.78 0.00 1.54 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.30 7.81 83 G 7.88 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 0.00 0.00 0.00 84 T 7.55 3.79 4.16 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 0.30 0.00 0.00 85 F 8.29 4.72 0.00 2.94 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 86 A 7.72 4.03 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 87 T 7.82 3.81 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 1.22 0.00 0.00 88 L 7.98 4.12 0.00 2.04 1.87 1.22 0.91 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 89 S 8.70 4.39 0.00 4.10 4.14 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 90 E 8.20 3.97 0.00 2.22 1.98 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 2.35 2.68 0.00 91 L 7.97 3.94 0.00 1.88 1.90 0.92 0.95 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 92 H 8.70 4.20 0.00 3.56 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.71 3.58 0.00 1.23 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 0.00 0.00 0.00 0.00 94 D 8.21 4.25 0.00 2.69 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 95 K 7.59 4.25 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.38 7.81 96 L 7.94 4.04 0.00 1.67 1.60 0.68 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.72 4.26 0.00 3.36 3.38 0.00 5.74 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.20 3.75 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 0.06 0.00 0.00 0.44 0.00 0.00 99 D 8.67 4.44 0.00 2.87 2.58 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 0.00 100 P 0.00 3.57 0.00 1.98 1.94 0.00 3.39 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.00 101 E 8.24 3.91 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 102 N 8.06 4.21 0.00 2.38 2.69 0.00 0.00 6.92 7.96 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 0.00 103 F 7.38 4.44 0.00 3.15 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 0.00 104 R 7.86 4.03 0.00 1.99 1.97 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 105 L 8.07 3.77 0.00 1.65 1.17 0.77 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.33 4.11 0.00 1.88 1.89 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.06 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 0.00 0.00 0.00 108 N 8.21 4.40 0.00 3.04 3.00 0.00 0.00 6.68 7.48 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 0.00 109 V 7.80 3.61 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 1.09 0.00 0.00 1.14 0.00 0.00 110 L 8.16 3.87 0.00 1.76 1.76 0.89 0.44 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 0.00 111 V 7.91 3.67 2.32 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 1.26 0.00 0.00 1.17 0.00 0.00 112 C 7.95 4.12 0.00 3.23 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 V 8.02 3.53 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 0.88 0.00 0.00 0.91 0.00 0.00 114 L 8.23 4.03 0.00 1.00 1.12 0.71 0.90 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 0.00 115 A 7.33 3.60 1.30 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 0.00 0.00 0.00 116 H 8.15 4.11 0.00 3.14 3.41 0.00 5.78 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 0.00 117 H 8.33 3.94 0.00 2.88 2.80 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.51 4.54 0.00 3.26 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 0.00 119 G 8.58 3.82 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 0.00 0.00 0.00 120 K 8.82 4.15 0.00 1.94 2.02 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 121 E 8.01 4.08 0.00 2.06 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 0.00 2.36 2.32 0.00 122 F 8.10 4.51 0.00 3.08 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.41 4.19 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 1.35 0.00 0.00 124 P 0.00 4.22 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 125 P 0.00 4.39 0.00 2.45 2.13 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 126 V 7.58 3.59 1.87 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 0.91 0.00 0.00 0.92 0.00 0.00 127 Q 7.62 3.63 0.00 1.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 128 A 8.07 4.06 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 0.00 129 A 7.94 3.95 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 0.00 130 Y 8.28 3.97 0.00 3.40 3.30 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 0.00 131 Q 8.62 4.12 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 132 K 8.05 4.04 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.64 7.81 133 V 7.51 3.47 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 0.91 0.00 0.00 0.71 0.00 0.00 134 V 8.34 3.87 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 1.03 0.00 0.00 1.16 0.00 0.00 135 A 8.36 4.14 1.45 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 0.00 136 G 8.42 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 0.00 0.00 0.00 0.00 137 V 8.10 3.36 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 0.55 0.00 0.00 0.67 0.00 0.00 138 A 8.04 3.82 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 0.00 139 N 8.38 4.23 0.00 2.97 2.98 0.00 0.00 7.16 8.95 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 0.00 140 A 7.86 4.02 1.45 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 0.00 141 L 7.90 3.91 0.00 1.26 0.71 -0.13 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.00 4.19 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 0.00 143 H 8.03 3.92 0.00 3.38 3.54 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.37 4.56 0.00 1.88 1.87 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.76 7.81 145 Y 8.32 4.17 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 0.00 146 H 8.31 4.49 0.00 3.20 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00