NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4556 8.3049 120.3202 54.1026 34.1792 175.1068 3 L 4.4962 7.7562 119.1436 51.4350 46.1165 174.7835 4 T 3.6791 8.9839 114.2350 61.5759 69.7609 174.0586 5 A 3.6154 8.8608 128.3083 55.0549 18.0188 178.9169 6 E 3.8954 8.0973 116.8603 59.4152 30.0374 178.3851 7 E 4.0884 8.9357 119.6328 59.0447 29.4296 178.9327 8 K 3.7912 8.0105 119.0516 59.6696 32.1564 178.4969 9 A 3.9892 7.8572 120.4676 54.6097 17.8037 179.5633 10 A 4.0086 7.9354 119.8203 55.3835 18.6814 180.0659 11 V 3.5523 7.6736 116.1280 65.9578 31.2012 178.2923 12 T 4.0985 8.3525 116.2680 66.5966 68.3216 176.8993 13 G 3.9221 8.2108 106.5189 48.2215 0.0000 174.9345 14 F 4.6954 8.3389 122.2068 60.8501 39.5099 177.2316 15 W 4.1870 8.6479 127.7924 59.8990 30.1650 177.8308 16 G 3.9731 7.6134 105.2052 47.4582 0.0000 174.2273 17 K 4.3244 7.3036 117.3841 55.6708 32.2306 176.0537 18 V 3.8024 7.2311 119.8884 60.8792 32.8840 177.0796 19 K 4.1093 7.8150 127.9712 54.7687 30.6866 177.1601 20 V 3.3468 8.0216 122.5267 67.3970 31.7106 176.6991 21 D 4.1036 7.7393 115.0631 57.5846 40.9290 178.8375 22 E 4.0230 7.8856 118.9366 59.1007 29.9252 179.1577 23 V 3.7378 7.5896 118.3052 65.9756 31.1678 178.3922 24 G 3.4843 8.0038 104.9708 47.7310 0.0000 175.0941 25 A 4.0126 7.7848 124.1273 55.1476 18.3417 179.4911 26 E 3.9053 8.1161 116.2634 59.0268 29.5694 178.3042 27 A 3.9312 8.2038 121.6462 55.0465 18.4357 179.1858 28 L 3.8597 7.8530 117.5437 57.9141 42.2589 179.3799 29 G 3.6449 7.7662 105.4346 48.2888 0.0000 175.6646 30 R 3.9670 8.1066 121.4687 58.4565 29.9786 179.1342 31 L 4.1062 8.2415 120.4077 58.1320 41.9696 178.7214 32 L 3.8937 7.9269 117.8629 58.0884 41.6912 179.5398 33 V 3.6249 7.9656 116.8408 65.1877 31.4964 177.1944 34 V 3.9933 7.0964 114.9888 62.2164 34.0167 175.1930 35 Y 3.8191 7.6124 115.9437 54.8863 38.2127 173.8467 36 P 4.2291 0.0000 0.0000 65.2599 32.2327 178.7658 37 W 4.4196 8.3405 114.6286 59.9285 28.0864 178.0140 38 T 4.1373 7.9584 115.8319 67.8168 67.8394 176.5304 39 Q 3.8341 8.2744 119.3432 58.9494 28.3328 180.4838 40 R 3.7431 7.5475 119.8951 59.3250 30.6977 178.2425 41 F 4.4316 7.1067 115.5796 59.0107 39.7395 175.4045 42 F 5.1878 11.0190 117.8773 57.1668 39.3464 175.6515 43 E 4.5479 8.2847 118.2548 56.3594 30.0656 175.1590 44 H 4.7805 7.7138 111.4058 56.1642 29.3593 176.0844 45 F 4.2594 7.8010 119.5055 59.8796 39.7016 175.3319 46 G 3.8165 7.9055 108.4870 44.6071 0.0000 172.3652 47 D 4.5665 8.4819 125.2604 54.2152 41.6449 176.7489 48 L 4.8684 8.2814 128.5384 54.5380 42.6616 177.5482 49 S 4.3663 8.5194 113.8805 59.5750 63.6146 173.2095 50 S 4.6487 7.5014 114.1829 56.1206 65.3721 173.0724 51 A 3.9800 8.1399 120.3948 54.9308 17.9392 179.1189 52 D 4.3194 8.1291 114.9331 57.6320 41.1800 179.3733 53 A 3.9618 8.2659 121.3611 55.7430 18.1399 179.5156 54 V 3.5867 7.8394 115.6845 65.7673 31.8076 177.6525 55 M 3.9699 7.8900 119.0530 58.1318 31.8938 177.8023 56 N 4.6213 8.5251 115.0607 54.9696 40.1669 175.1309 57 N 3.7470 7.7773 116.4626 51.0944 39.0644 174.9368 58 A 4.2784 8.6274 126.6242 54.2518 18.6968 179.3211 59 K 4.0238 8.3731 118.2640 59.8526 32.3710 178.7474 60 V 3.0914 8.0346 117.5135 66.0298 31.6960 177.6144 61 K 3.9853 7.6726 116.2539 59.8173 31.8821 179.2554 62 A 4.1005 7.9912 120.1797 55.2211 17.4487 178.4661 63 H 4.7365 8.9396 115.4136 57.6463 29.7836 176.6181 64 G 3.9093 7.9790 106.6826 46.9514 0.0000 175.5245 65 K 3.8490 8.0276 121.6755 59.5672 32.1286 178.4888 66 K 3.9096 7.8958 118.2289 59.4869 31.5125 178.9261 67 V 4.1426 7.1897 119.0474 63.8653 31.0535 177.9093 68 L 4.1642 8.3275 119.2341 57.4731 41.4581 178.4623 69 D 4.6268 8.5843 119.7429 57.6330 40.4091 178.8683 70 S 4.2317 8.0665 114.3662 62.2052 62.6450 176.4072 71 F 4.0519 8.2574 121.5933 59.7719 38.5047 177.4593 72 S 4.0467 9.7700 113.3048 61.7763 62.5877 176.1251 73 N 4.6021 9.1998 120.7082 56.5376 38.7434 176.9857 74 G 3.8155 9.3640 107.5766 48.3790 0.0000 175.0542 75 M 3.7752 8.2043 120.3218 58.4441 32.0239 178.9295 76 K 4.0618 7.8320 117.0207 58.5310 32.9357 176.8248 77 H 5.0318 8.3071 116.5512 54.6892 29.9426 175.1675 78 L 3.9286 8.0500 121.7556 58.1195 41.9741 180.0854 79 D 4.4034 8.0428 116.5189 56.7801 41.2114 175.9825 80 D 4.7584 7.7815 118.2577 51.5824 40.9316 175.2133 81 L 3.7381 8.0792 122.3235 58.7227 41.8359 182.1062 82 K 4.4318 6.9606 117.4608 57.8830 34.9873 177.3558 83 G 3.7437 8.3036 105.3545 47.6743 0.0000 175.5567 84 T 3.8957 8.0107 116.7428 65.8529 68.7642 175.3929 85 F 4.1219 8.5954 117.6155 58.9561 39.7379 179.0975 86 A 3.5103 7.7366 118.5505 53.6241 18.9927 178.9198 87 Q 3.7924 7.7783 115.4300 59.2059 29.6052 178.9255 88 L 4.0016 7.7490 119.2358 57.6499 41.4307 179.4926 89 S 4.0848 7.9806 113.3398 61.0410 62.3375 175.7146 90 E 3.7712 7.9660 121.9176 59.1615 28.9686 178.1274 91 L 3.8345 8.0919 120.8383 58.8009 41.9392 178.9075 92 H 4.1051 8.0115 115.4791 59.0571 28.6205 177.7498 93 C 4.0251 7.7877 119.5164 61.5790 27.6873 175.3986 94 D 4.9461 7.2852 117.4685 53.3959 40.7707 176.8533 95 K 4.2586 7.3041 114.6412 57.2898 35.1949 175.1749 96 L 4.3869 7.3350 119.3827 54.9939 44.2497 176.1674 97 H 4.3253 8.3563 113.0366 55.9007 25.8842 175.3696 98 V 3.7719 7.3908 117.6777 60.7100 32.5842 174.7253 99 D 4.1854 8.6771 128.0085 53.3709 41.8419 174.8839 100 P 3.4301 0.0000 0.0000 65.9989 30.7114 177.6167 101 E 3.8921 9.1805 119.8490 59.2544 29.5223 177.8328 102 N 4.6868 8.0356 114.7777 54.0945 38.8464 177.1089 103 F 4.6236 7.4685 120.1412 60.1708 39.0547 177.6666 104 K 4.0230 8.1306 117.7230 59.5054 31.9484 178.7485 105 L 3.9271 7.6179 118.6637 57.9356 41.5549 179.3000 106 L 4.0331 7.6327 118.7664 58.4434 41.8439 179.1682 107 G 4.2403 8.2847 107.1511 47.9086 0.0000 175.2437 108 N 4.5289 8.3182 118.9678 55.4006 38.7936 177.9410 109 V 3.5847 7.8391 119.2050 66.2373 31.8139 177.4343 110 L 3.6976 7.9286 120.0232 58.2872 41.8638 178.7930 111 V 3.5806 7.5951 117.8670 66.3550 31.4990 178.1030 112 V 3.6273 7.8967 117.6426 66.2425 31.4698 178.1614 113 V 3.5812 8.3508 117.8354 65.3916 31.3611 178.1170 114 L 3.7688 7.6997 118.9920 57.5555 41.3022 179.1047 115 A 4.1414 8.1561 121.0582 54.9665 18.0087 179.5949 116 R 3.7997 7.5933 116.3990 59.8833 30.3449 177.4476 117 H 4.1267 7.2736 114.8883 58.8699 28.5706 175.8362 118 H 4.7703 8.1830 112.8042 54.3598 30.6351 175.2897 119 G 4.1402 7.8860 109.2090 46.4683 0.0000 175.5670 120 S 4.5313 8.7063 118.2030 58.9560 63.3631 175.0056 121 E 4.0844 7.8498 122.9535 59.2148 29.7271 177.2878 122 F 4.4054 7.7009 122.3873 56.9935 37.7478 174.9794 123 T 4.0502 7.3898 116.2504 60.4483 70.8936 173.4732 124 P 4.0927 0.0000 0.0000 65.1295 30.8365 178.9665 125 L 4.0524 7.7982 117.8339 57.6465 41.5373 179.0761 126 L 4.0162 7.3424 117.9937 58.0885 41.6328 179.5645 127 Q 3.8084 7.4383 118.6953 58.7476 28.6575 177.5575 128 A 4.0012 8.6643 122.1181 55.5793 18.6397 178.9465 129 E 3.9938 7.8215 115.3601 60.0002 29.5771 179.7486 130 F 4.1454 8.7025 117.2594 60.0500 39.0604 177.2178 131 Q 4.2296 8.3963 119.2864 58.2563 28.7651 177.9698 132 K 3.9960 8.1489 120.0547 59.2299 32.0705 179.1799 133 V 3.6453 7.7000 118.0383 66.3751 31.4473 178.3635 134 V 3.8449 8.4577 111.8182 63.8690 31.4633 178.3933 135 A 4.1391 8.1430 121.2082 55.1283 18.1298 179.9510 136 G 3.4317 8.9786 105.4356 47.7998 0.0000 175.8888 137 V 3.1086 7.8747 119.4705 64.1984 31.1928 177.7058 138 A 4.3357 7.5379 119.8805 55.3932 18.4664 178.9480 139 N 4.4542 7.7910 114.4834 56.1578 38.4483 177.6256 140 A 4.0074 7.8869 122.3363 55.0636 18.3047 179.4368 141 L 3.8928 6.9174 113.3406 56.4341 41.9409 177.8127 142 A 4.8460 7.4629 119.9896 53.4910 20.1310 178.7710 143 H 4.0383 8.0295 116.2160 59.7226 29.8420 177.4090 144 R 4.1749 7.3242 113.0949 57.6455 29.2079 177.1980 145 Y 4.3754 8.0546 116.6006 59.5683 38.3408 175.6079 146 H 4.4422 8.6950 122.7571 55.9725 29.9228 172.9854 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 2 M 8.30 4.46 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 3 L 7.76 4.50 0.00 1.60 1.48 0.82 0.48 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 4 T 8.98 3.68 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 1.24 0.00 0.00 5 A 8.86 3.62 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 6 E 8.10 3.90 0.00 1.97 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 2.29 2.40 0.00 7 E 8.94 4.09 0.00 2.26 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 2.41 2.29 0.00 8 K 8.01 3.79 0.00 1.79 1.91 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.46 7.81 9 A 7.86 3.99 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 10 A 7.94 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 11 V 7.67 3.55 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 0.62 0.00 0.00 0.10 0.00 0.00 12 T 8.35 4.10 4.35 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 1.27 0.00 0.00 13 G 8.21 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 14 F 8.34 4.70 0.00 3.43 3.73 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 15 W 8.65 4.19 0.00 3.69 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 16 G 7.61 3.97 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 0.00 0.00 0.00 17 K 7.30 4.32 0.00 1.56 1.75 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.35 7.81 18 V 7.23 3.80 0.79 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 -0.14 0.00 0.00 -0.09 0.00 0.00 19 K 7.81 4.11 0.00 1.57 1.57 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.21 7.81 20 V 8.02 3.35 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 1.22 0.00 0.00 0.83 0.00 0.00 21 D 7.74 4.10 0.00 2.67 2.53 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 0.00 0.00 0.00 0.00 22 E 7.89 4.02 0.00 1.91 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 2.33 2.26 0.00 23 V 7.59 3.74 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 0.98 0.00 0.00 0.65 0.00 0.00 24 G 8.00 3.48 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 0.00 25 A 7.78 4.01 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 26 E 8.12 3.91 0.00 2.02 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 0.00 2.24 2.26 0.00 27 A 8.20 3.93 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 7.85 3.86 0.00 1.58 1.49 0.41 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.11 3.97 0.00 2.11 1.99 0.00 3.09 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 31 L 8.24 4.11 0.00 1.77 1.91 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.93 3.89 0.00 1.70 1.64 0.54 0.95 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 33 V 7.97 3.62 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 0.71 0.00 0.00 0.87 0.00 0.00 34 V 7.10 3.99 1.89 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 0.43 0.00 0.00 0.85 0.00 0.00 35 Y 7.61 3.82 0.00 2.60 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 4.23 0.00 2.24 2.12 0.00 3.33 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 37 W 8.34 4.42 0.00 3.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.96 4.14 4.29 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 1.44 0.00 0.00 39 Q 8.27 3.83 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 40 R 7.55 3.74 0.00 1.72 1.46 0.00 3.20 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 41 F 7.11 4.43 0.00 2.73 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 42 F 11.02 5.19 0.00 3.27 3.09 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 43 E 8.28 4.55 0.00 1.96 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 2.25 2.32 0.00 44 H 7.71 4.78 0.00 3.23 3.39 0.00 5.58 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 45 F 7.80 4.26 0.00 3.51 3.20 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 0.00 46 G 7.91 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 47 D 8.48 4.57 0.00 2.66 2.62 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 48 L 8.28 4.87 0.00 1.64 1.60 1.03 0.93 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 49 S 8.52 4.37 0.00 4.00 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 S 7.50 4.65 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.14 3.98 1.28 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 0.00 0.00 0.00 52 D 8.13 4.32 0.00 2.68 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 53 A 8.27 3.96 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 54 V 7.84 3.59 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 0.77 0.00 0.00 0.92 0.00 0.00 55 M 7.89 3.97 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 56 N 8.53 4.62 0.00 2.90 2.85 0.00 0.00 6.99 7.33 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 57 N 7.78 3.75 0.00 2.95 2.91 0.00 0.00 7.23 7.77 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 58 A 8.63 4.28 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 59 K 8.37 4.02 0.00 2.09 2.64 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.65 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.35 1.70 7.81 60 V 8.03 3.09 2.13 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 0.69 0.00 0.00 0.56 0.00 0.00 61 K 7.67 3.99 0.00 2.10 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.60 7.81 62 A 7.99 4.10 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 63 H 8.94 4.74 0.00 3.65 3.63 0.00 5.76 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 7.98 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 65 K 8.03 3.85 0.00 1.85 2.01 0.00 1.98 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.58 7.81 66 K 7.90 3.91 0.00 2.07 1.97 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.65 7.81 67 V 7.19 4.14 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 1.36 0.00 0.00 0.99 0.00 0.00 68 L 8.33 4.16 0.00 1.80 1.92 0.89 1.24 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 69 D 8.58 4.63 0.00 2.91 2.81 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 0.00 0.00 0.00 0.00 70 S 8.07 4.23 0.00 4.06 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 71 F 8.26 4.05 0.00 3.28 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 72 S 9.77 4.05 0.00 4.34 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 73 N 9.20 4.60 0.00 3.05 2.98 0.00 0.00 7.03 5.12 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 74 G 9.36 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 75 M 8.20 3.78 0.00 1.66 2.12 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.39 0.00 76 K 7.83 4.06 0.00 1.42 1.65 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.74 7.81 77 H 8.31 5.03 0.00 3.11 3.19 0.00 5.63 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 78 L 8.05 3.93 0.00 1.64 1.64 0.83 0.92 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 79 D 8.04 4.40 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.78 4.76 0.00 2.61 2.48 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 81 L 8.08 3.74 0.00 1.57 1.35 0.66 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 K 6.96 4.43 0.00 1.73 1.82 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.41 7.81 83 G 8.30 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 84 T 8.01 3.90 4.58 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 1.40 0.00 0.00 85 F 8.60 4.12 0.00 3.11 3.05 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 0.00 0.00 0.00 86 A 7.74 3.51 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 87 Q 7.78 3.79 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 88 L 7.75 4.00 0.00 1.61 1.70 0.32 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.98 4.08 0.00 4.05 4.05 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 0.00 0.00 0.00 90 E 7.97 3.77 0.00 2.06 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 2.24 2.26 0.00 91 L 8.09 3.83 0.00 1.61 1.67 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.01 4.11 0.00 3.42 3.60 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.79 4.03 0.00 2.57 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 94 D 7.29 4.95 0.00 2.65 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 95 K 7.30 4.26 0.00 1.76 1.77 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.38 7.81 96 L 7.33 4.39 0.00 1.63 1.61 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.36 4.33 0.00 3.40 3.45 0.00 5.60 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.39 3.77 1.95 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 0.35 0.00 0.00 -0.22 0.00 0.00 99 D 8.68 4.19 0.00 2.65 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 0.00 100 P 0.00 3.43 0.00 2.28 2.55 0.00 3.22 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.42 0.00 101 E 9.18 3.89 0.00 2.12 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 2.29 2.43 0.00 102 N 8.04 4.69 0.00 2.65 2.83 0.00 0.00 6.93 7.94 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 0.00 103 F 7.47 4.62 0.00 3.16 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 0.00 104 K 8.13 4.02 0.00 2.08 1.90 0.00 1.92 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.61 7.81 105 L 7.62 3.93 0.00 1.47 1.05 0.96 0.73 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 0.00 106 L 7.63 4.03 0.00 1.91 1.81 0.95 1.23 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 0.00 107 G 8.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.32 4.53 0.00 3.06 2.93 0.00 0.00 6.72 7.19 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 0.00 109 V 7.84 3.58 2.22 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 0.93 0.00 0.00 1.12 0.00 0.00 110 L 7.93 3.70 0.00 1.95 1.73 0.19 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.60 3.58 2.36 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 1.27 0.00 0.00 1.13 0.00 0.00 112 V 7.90 3.63 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 0.95 0.00 0.00 1.02 0.00 0.00 113 V 8.35 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 0.82 0.00 0.00 0.95 0.00 0.00 114 L 7.70 3.77 0.00 1.29 0.80 0.61 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.16 4.14 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.59 3.80 0.00 1.87 1.79 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 117 H 7.27 4.13 0.00 3.36 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.18 4.77 0.00 3.44 3.48 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.89 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 0.00 0.00 0.00 120 S 8.71 4.53 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.85 4.08 0.00 2.02 2.47 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 2.51 2.39 0.00 122 F 7.70 4.41 0.00 2.80 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 0.00 123 T 7.39 4.05 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 1.23 0.00 0.00 124 P 0.00 4.09 0.00 2.10 2.05 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 125 L 7.80 4.05 0.00 1.62 1.68 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.34 4.02 0.00 1.52 1.66 0.75 0.67 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 0.00 127 Q 7.44 3.81 0.00 1.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 128 A 8.66 4.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.82 3.99 0.00 2.23 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 0.00 2.69 2.51 0.00 130 F 8.70 4.15 0.00 3.39 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 0.00 131 Q 8.40 4.23 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 132 K 8.15 4.00 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.78 7.81 133 V 7.70 3.65 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 1.04 0.00 0.00 0.68 0.00 0.00 134 V 8.46 3.84 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 1.03 0.00 0.00 1.08 0.00 0.00 135 A 8.14 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.98 3.43 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 0.00 0.00 0.00 137 V 7.87 3.11 1.77 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 0.11 0.00 0.00 0.42 0.00 0.00 138 A 7.54 4.34 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 7.79 4.45 0.00 2.84 2.82 0.00 0.00 6.83 7.93 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 0.00 140 A 7.89 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 141 L 6.92 3.89 0.00 1.07 0.21 0.86 0.64 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 0.00 142 A 7.46 4.85 1.59 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 0.00 143 H 8.03 4.04 0.00 3.24 3.36 0.00 5.79 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 0.00 144 R 7.32 4.17 0.00 1.53 1.89 0.00 3.17 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 145 Y 8.05 4.38 0.00 3.40 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 0.00 146 H 8.69 4.44 0.00 2.99 3.12 0.00 5.69 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