NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.9827 8.1633 120.3111 55.4379 34.3684 177.5459 2 E 3.7991 8.0545 118.0484 58.8237 29.4033 177.6338 3 A 4.0879 8.1969 120.7127 55.2373 18.8690 179.4280 4 V 3.7127 7.5718 116.2643 65.9212 31.5493 178.3469 5 K 3.9960 8.1549 118.5167 59.5470 31.8886 179.3699 6 T 3.8724 8.0105 116.0888 66.5750 68.3490 176.3557 7 F 4.1623 8.3457 122.3824 61.4284 39.4066 176.6274 8 N 4.1975 8.5500 116.3550 56.6255 38.4137 177.5054 9 S 4.1040 8.2184 116.2519 61.6208 62.7144 176.6129 10 E 3.8864 7.9028 119.9141 59.2350 29.3711 178.8944 11 L 3.7258 7.6482 120.6201 58.2873 42.0875 178.4286 12 Y 3.9683 8.1805 119.7849 60.4668 38.6206 177.8528 13 S 4.6369 7.9357 115.9221 59.9171 63.0910 176.0544 14 L 3.9664 7.6132 123.3818 58.2270 41.0706 179.0264 15 M 3.7869 7.8794 117.8188 57.3144 31.5884 177.2872 16 D 4.7722 8.1140 118.1358 53.4538 41.3059 175.2463 17 M 4.9373 7.4420 119.1739 53.1262 34.8523 174.6412 18 K 4.1705 8.7123 127.7915 55.0736 33.0661 174.7263 19 P 4.4903 0.0000 0.0000 61.9877 31.8598 174.1932 20 P 4.5238 0.0000 0.0000 62.3372 32.2491 176.1491 21 I 4.0125 8.2155 122.1751 60.7829 38.0565 176.8843 22 S 4.3247 8.4994 119.4781 58.2844 64.7736 175.6020 23 K 3.8991 8.6266 122.5356 59.6306 31.8292 179.3486 24 A 3.9789 7.9504 120.4660 55.0823 18.3739 179.4851 25 K 3.8663 8.1249 118.0427 59.8624 32.3217 178.6074 26 M 4.0480 8.1363 118.4832 59.0104 32.0402 178.3357 27 T 3.8770 8.2887 116.1530 66.7071 68.6449 176.5902 28 Q 4.0348 8.0581 119.9113 59.0456 28.7097 179.0797 29 I 3.7349 7.8242 120.6335 64.6915 37.1131 178.6146 30 T 3.9063 7.9505 116.4715 66.6595 68.3424 176.7585 31 K 3.9577 8.5313 120.5179 59.5275 32.0832 179.1899 32 A 4.1276 8.2480 120.7302 55.0669 18.0833 179.4673 33 A 3.6652 8.2328 118.3410 55.4250 18.6645 179.6206 34 I 4.0432 8.0133 118.3786 64.6519 37.0022 178.9364 35 K 4.2219 8.2681 117.8368 58.5567 31.9521 177.8904 36 A 4.8274 7.7012 120.2775 52.3200 19.8381 178.9218 37 I 3.6843 7.7165 123.8062 65.4243 37.6845 177.3931 38 K 3.6455 8.0544 119.9822 58.8009 32.2236 177.3994 39 F 4.8845 8.0669 118.1565 57.0100 40.2059 177.5532 40 Y 4.1375 7.8325 119.8419 60.1510 37.6068 177.5576 41 K 3.4926 6.8418 119.7218 59.3584 32.1489 178.5528 42 H 4.0986 8.0492 118.0124 59.0398 29.8840 177.0749 43 V 3.3923 7.8705 120.1190 66.0973 31.2247 178.1602 44 V 3.2118 7.7411 117.6955 65.8587 31.2035 177.6370 45 Q 3.9654 8.0600 119.2158 59.4574 28.8606 178.5127 46 S 4.2122 8.5196 116.5274 61.6692 62.8863 176.9594 47 V 3.8121 8.2646 120.9926 66.0363 31.2876 177.9569 48 E 4.1414 8.7260 118.6853 59.3974 29.3451 179.3095 49 K 4.0002 8.6139 120.0983 59.1802 32.2684 178.5075 50 F 3.9905 8.5488 121.1836 61.6186 39.0990 177.2807 51 I 3.8492 7.9612 117.8040 64.2509 36.9150 177.9791 52 Q 4.0821 8.1797 119.7825 59.0691 29.0762 177.9241 53 K 4.2367 7.7922 117.2788 56.8312 32.7712 177.1528 54 C 4.0688 7.0034 113.4129 57.1617 30.3436 173.6661 55 K 4.1907 8.1898 119.7159 55.6409 32.5362 176.3566 56 P 4.2048 0.0000 0.0000 66.0064 30.9832 178.6165 57 E 3.9733 8.0753 113.9807 58.4357 29.7478 177.4239 58 Y 4.5268 7.9073 117.0667 57.8876 38.4898 177.4104 59 K 3.8951 7.7040 120.7672 59.5467 32.2586 179.1426 60 V 3.1479 7.4963 117.6168 65.3749 31.4991 175.7352 61 P 4.3317 0.0000 0.0000 65.7484 31.2604 178.4654 62 G 3.7020 8.4062 104.3351 47.8609 0.0000 175.3604 63 L 3.8587 7.8489 122.9755 58.0484 42.0186 178.5714 64 Y 4.4603 8.2351 117.0290 61.1042 37.6352 178.9991 65 V 3.6145 7.9258 119.1486 66.0126 31.6326 177.9136 66 I 3.3262 7.5591 119.2842 64.4300 36.9542 177.7042 67 D 4.7810 8.6078 118.9060 57.7614 41.1248 178.3941 68 S 4.1390 8.5955 113.8940 61.2943 62.3173 176.0176 69 I 3.5723 7.9953 122.7284 64.3800 36.7956 178.4799 70 V 3.6386 7.9375 118.9521 66.2305 31.3521 178.2799 71 R 3.9203 8.1512 117.7344 59.2534 29.8099 178.9088 72 Q 3.9682 8.2564 119.4257 59.1453 28.9984 178.1504 73 S 4.4320 8.4468 114.4844 61.6178 62.6501 176.2051 74 R 4.1042 8.3674 121.0979 59.5878 29.5637 178.5646 75 H 4.1204 8.0442 116.9058 59.4115 30.0114 176.8427 76 Q 3.8442 8.2481 120.2951 57.9656 28.9608 176.2769 77 F 4.6406 8.3844 116.3200 56.2857 41.1359 176.2483 78 G 4.1035 8.0046 108.7873 44.9727 0.0000 174.9251 79 Q 3.9616 8.6095 121.1460 58.7538 28.9231 177.8958 80 E 4.0635 8.0782 117.0267 58.1294 29.9381 177.2196 81 K 4.1998 7.6865 116.1944 56.9733 33.0330 176.4478 82 D 4.3036 7.7064 118.7279 54.9564 41.3471 176.5085 83 V 3.7632 7.8398 118.1197 62.1476 32.8393 178.3155 84 F 4.1181 8.7137 119.5678 60.2937 38.8304 177.3660 85 A 4.0757 8.4195 120.3640 54.9530 17.9043 177.9063 86 P 4.2717 0.0000 0.0000 65.6188 31.6910 178.6109 87 R 4.0785 7.8731 117.6115 59.5949 29.8449 178.6475 88 F 4.4875 8.8702 118.1313 60.5162 38.7113 177.7746 89 S 4.4038 8.4178 114.1482 61.1262 62.5221 176.1503 90 N 4.4242 7.8846 119.2842 56.0734 38.5595 176.4817 91 N 4.9957 7.4661 115.8229 53.2393 39.2731 176.8852 92 I 3.8938 7.6560 124.3481 64.0554 37.8766 177.9715 93 I 3.7472 7.8015 120.4569 64.4754 37.0614 178.0761 94 S 4.1445 8.1316 113.3641 61.6578 62.2018 175.9106 95 T 3.8993 8.2449 118.5566 67.0346 68.2081 176.5668 96 F 3.6184 8.7496 119.5026 60.0482 38.6670 177.6745 97 Q 4.1852 8.3428 117.6506 59.4313 28.9816 178.7926 98 N 4.5123 8.1834 117.0983 56.2179 38.5047 177.4706 99 L 3.8187 7.9210 120.6398 57.8874 41.4241 178.5716 100 Y 4.7445 7.7643 113.8405 59.0620 37.9079 175.8077 101 R 4.4666 7.6511 118.8864 56.5060 30.5870 176.5156 102 C 4.4669 7.2874 111.6954 56.1905 31.1929 171.3436 103 P 4.3655 0.0000 0.0000 62.3373 31.8332 177.8406 104 G 3.7599 8.9262 110.6004 48.9733 0.0000 175.1771 105 D 4.5513 7.9798 116.8566 54.7344 39.9148 177.0602 106 D 4.5551 8.2232 120.3205 55.6563 41.0604 178.3388 107 K 4.0517 7.8506 119.7394 59.5932 32.0719 179.1972 108 S 4.2382 8.0428 113.6646 61.1339 62.9662 176.5349 109 K 4.0506 7.9160 122.3339 59.1303 31.6822 179.3806 110 I 3.5464 7.6146 119.7489 64.3952 37.1982 178.4201 111 V 3.5999 7.6748 118.6212 65.8460 31.3069 177.8292 112 R 3.8339 8.1183 118.5236 59.4583 29.8206 178.5469 113 V 3.3641 7.5675 117.6531 65.9310 31.4831 177.7871 114 L 3.7236 7.7172 118.6392 57.9912 41.4310 179.3506 115 N 4.3924 8.6281 116.5366 56.3884 38.3676 177.5381 116 L 4.1092 8.0320 120.4181 57.4188 41.6403 179.3708 117 W 4.6277 8.5545 119.4406 59.9939 29.1458 178.3373 118 Q 4.0416 8.5036 119.2979 59.1341 28.3760 177.8615 119 K 3.9201 8.2377 119.6514 59.5270 32.3139 177.5006 120 N 4.7176 8.4262 113.1706 52.1007 39.0546 174.5489 121 N 4.2779 8.0207 116.6033 54.2610 36.8410 176.0777 122 V 3.5774 8.3400 119.8278 65.0529 31.9561 175.7566 123 F 4.8220 7.7022 115.4699 54.8476 42.9126 174.6247 124 K 4.2151 8.4876 121.7241 56.3040 32.7604 178.1051 125 S 4.1431 8.9415 116.2201 61.9588 61.8899 176.4132 126 E 3.9268 8.1904 120.2010 59.1724 29.3756 178.4012 127 I 3.9766 7.7689 119.9263 64.1523 37.3856 178.3282 128 I 3.7754 7.6548 120.1993 64.0881 37.0935 177.9802 129 Q 3.9708 8.3936 120.8143 58.8926 28.9473 176.7740 130 P 4.4322 0.0000 0.0000 65.3127 31.1972 178.6382 131 L 4.0430 7.2819 117.9601 57.6037 41.4618 179.4184 132 L 4.0583 8.0648 119.0480 57.9160 41.5303 179.2456 133 D 4.3913 8.5974 119.2921 57.5766 40.5689 178.7724 134 M 3.9948 8.2446 119.0887 58.1536 31.6307 178.6018 135 A 3.2148 7.6469 120.7828 54.8866 18.5901 179.6007 136 A 3.8545 7.8907 119.0123 55.2013 18.2374 179.5960 137 A 3.9844 7.8950 118.3433 55.3918 18.4512 179.5326 138 L 4.0166 7.3484 116.4318 57.9923 41.7148 179.3037 139 E 4.0331 7.5087 117.3918 59.3123 29.4369 177.3066 140 H 4.5861 8.0445 119.8552 55.9962 29.0524 175.0397 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 8.16 3.98 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 2 E 8.05 3.80 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 3 A 8.20 4.09 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 4 V 7.57 3.71 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 0.94 0.00 0.00 0.44 0.00 0.00 5 K 8.15 4.00 0.00 2.01 1.83 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.55 7.81 6 T 8.01 3.87 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 7 F 8.35 4.16 0.00 3.26 3.33 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 8 N 8.55 4.20 0.00 2.94 2.90 0.00 0.00 7.10 8.28 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 9 S 8.22 4.10 0.00 3.99 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 10 E 7.90 3.89 0.00 1.93 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 2.49 2.48 0.00 11 L 7.65 3.73 0.00 0.73 1.30 0.35 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.18 3.97 0.00 3.22 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 13 S 7.94 4.64 0.00 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 0.00 14 L 7.61 3.97 0.00 1.64 1.82 0.50 0.96 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 15 M 7.88 3.79 0.00 1.63 1.73 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.94 0.00 16 D 8.11 4.77 0.00 2.86 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 17 M 7.44 4.94 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 18 K 8.71 4.17 0.00 1.75 1.71 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.44 7.81 19 P 0.00 4.49 0.00 2.08 1.87 0.00 3.57 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.44 0.00 20 P 0.00 4.52 0.00 2.24 2.13 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 21 I 8.22 4.01 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 0.96 0.00 0.00 22 S 8.50 4.32 0.00 4.05 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 23 K 8.63 3.90 0.00 1.77 1.89 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.43 7.81 24 A 7.95 3.98 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 25 K 8.12 3.87 0.00 1.91 1.83 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 26 M 8.14 4.05 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 27 T 8.29 3.88 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 1.22 0.00 0.00 28 Q 8.06 4.03 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 29 I 7.82 3.73 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.97 0.00 0.00 30 T 7.95 3.91 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 1.24 0.00 0.00 31 K 8.53 3.96 0.00 1.81 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.62 7.81 32 A 8.25 4.13 1.58 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 33 A 8.23 3.67 1.16 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 0.00 0.00 34 I 8.01 4.04 2.11 0.00 0.00 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 1.79 1.73 1.23 0.00 0.00 35 K 8.27 4.22 0.00 1.85 1.98 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.68 7.81 36 A 7.70 4.83 1.49 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 37 I 7.72 3.68 2.08 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.98 0.90 0.00 0.00 38 K 8.05 3.65 0.00 1.50 1.03 0.00 1.60 0.00 0.00 1.12 0.00 0.00 2.64 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.66 1.15 7.81 39 F 8.07 4.88 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.83 4.14 0.00 2.15 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 41 K 6.84 3.49 0.00 1.47 1.62 0.00 1.37 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.88 0.21 7.81 42 H 8.05 4.10 0.00 3.29 3.54 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.87 3.39 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 0.44 0.00 0.00 0.72 0.00 0.00 44 V 7.74 3.21 1.81 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 0.77 0.00 0.00 0.20 0.00 0.00 45 Q 8.06 3.97 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 46 S 8.52 4.21 0.00 4.32 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 47 V 8.26 3.81 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 1.21 0.00 0.00 1.38 0.00 0.00 48 E 8.73 4.14 0.00 2.35 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 2.55 2.73 0.00 49 K 8.61 4.00 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 50 F 8.55 3.99 0.00 3.34 3.26 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 51 I 7.96 3.85 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 0.86 0.00 0.00 52 Q 8.18 4.08 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 53 K 7.79 4.24 0.00 1.72 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.56 7.81 54 C 7.00 4.07 0.00 2.58 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 0.00 0.00 0.00 55 K 8.19 4.19 0.00 1.95 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.43 7.81 56 P 0.00 4.20 0.00 2.11 2.09 0.00 3.58 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 2.10 2.14 0.00 57 E 8.08 3.97 0.00 1.82 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 2.10 1.59 0.00 58 Y 7.91 4.53 0.00 3.15 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 59 K 7.70 3.90 0.00 1.63 1.73 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.54 7.81 60 V 7.50 3.15 1.80 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 0.12 0.00 0.00 0.71 0.00 0.00 61 P 0.00 4.33 0.00 2.57 2.25 0.00 3.64 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 2.20 2.17 0.00 62 G 8.41 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.85 3.86 0.00 1.42 1.51 0.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.24 4.46 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.93 3.61 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 1.21 0.00 0.00 0.91 0.00 0.00 66 I 7.56 3.33 2.03 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 0.64 0.44 0.31 0.00 0.00 67 D 8.61 4.78 0.00 3.14 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 68 S 8.60 4.14 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.00 3.57 1.87 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 1.30 0.68 0.09 0.00 0.00 70 V 7.94 3.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.12 0.00 0.00 71 R 8.15 3.92 0.00 2.01 1.99 0.00 3.41 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 72 Q 8.26 3.97 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 73 S 8.45 4.43 0.00 4.20 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 0.00 74 R 8.37 4.10 0.00 1.94 1.97 0.00 2.96 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 75 H 8.04 4.12 0.00 3.21 3.52 0.00 5.94 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 76 Q 8.25 3.84 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.51 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 77 F 8.38 4.64 0.00 3.13 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 78 G 8.00 4.10 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 0.00 0.00 0.00 79 Q 8.61 3.96 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 80 E 8.08 4.06 0.00 1.90 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 0.00 2.26 2.30 0.00 81 K 7.69 4.20 0.00 1.97 1.82 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.43 7.81 82 D 7.71 4.30 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 83 V 7.84 3.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 -0.51 0.00 0.00 84 F 8.71 4.12 0.00 3.38 3.31 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 85 A 8.42 4.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.27 0.00 2.00 2.12 0.00 3.74 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 87 R 7.87 4.08 0.00 2.10 2.02 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 88 F 8.87 4.49 0.00 3.58 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 89 S 8.42 4.40 0.00 4.22 4.57 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 90 N 7.88 4.42 0.00 2.85 2.98 0.00 0.00 6.90 8.70 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 91 N 7.47 5.00 0.00 3.05 2.87 0.00 0.00 6.75 7.20 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 92 I 7.66 3.89 2.10 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.84 0.92 0.00 0.00 93 I 7.80 3.75 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.97 0.00 0.00 94 S 8.13 4.14 0.00 3.95 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 95 T 8.24 3.90 4.61 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 1.21 0.00 0.00 96 F 8.75 3.62 0.00 3.19 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 97 Q 8.34 4.19 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 98 N 8.18 4.51 0.00 2.90 2.84 0.00 0.00 7.07 6.77 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 99 L 7.92 3.82 0.00 1.08 1.12 -0.47 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.76 4.74 0.00 2.99 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 0.00 101 R 7.65 4.47 0.00 1.98 1.94 0.00 3.17 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 102 C 7.29 4.47 0.00 3.07 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 0.00 103 P 0.00 4.37 0.00 2.34 1.98 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 104 G 8.93 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 0.00 105 D 7.98 4.55 0.00 2.76 2.79 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 0.00 106 D 8.22 4.56 0.00 2.84 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 0.00 107 K 7.85 4.05 0.00 1.96 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.51 7.81 108 S 8.04 4.24 0.00 4.05 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 0.00 109 K 7.92 4.05 0.00 1.88 1.93 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.47 7.81 110 I 7.61 3.55 2.14 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 1.27 0.63 0.83 0.00 0.00 111 V 7.67 3.60 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 0.87 0.00 0.00 1.05 0.00 0.00 112 R 8.12 3.83 0.00 2.05 2.11 0.00 3.17 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 1.62 1.65 0.00 113 V 7.57 3.36 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 0.14 0.00 0.00 1.06 0.00 0.00 114 L 7.72 3.72 0.00 1.84 1.68 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.63 4.39 0.00 2.87 2.89 0.00 0.00 7.09 6.73 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 0.00 116 L 8.03 4.11 0.00 1.94 1.80 0.93 0.98 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 0.00 117 W 8.55 4.63 0.00 3.64 3.37 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 0.00 118 Q 8.50 4.04 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 K 8.24 3.92 0.00 1.92 2.05 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.53 7.81 120 N 8.43 4.72 0.00 2.89 2.89 0.00 0.00 7.15 7.99 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 0.00 121 N 8.02 4.28 0.00 2.91 2.91 0.00 0.00 6.86 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 0.00 122 V 8.34 3.58 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 0.14 0.00 0.00 1.01 0.00 0.00 123 F 7.70 4.82 0.00 2.95 2.83 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 0.00 124 K 8.49 4.22 0.00 1.88 1.77 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.46 7.81 125 S 8.94 4.14 0.00 3.92 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 0.00 126 E 8.19 3.93 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 127 I 7.77 3.98 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 0.77 0.00 0.00 128 I 7.65 3.78 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.91 1.01 0.00 0.00 129 Q 8.39 3.97 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 130 P 0.00 4.43 0.00 2.18 2.09 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 131 L 7.28 4.04 0.00 1.59 1.17 0.05 0.23 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 0.00 132 L 8.06 4.06 0.00 1.87 1.72 0.99 0.99 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 0.00 133 D 8.60 4.39 0.00 2.79 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 0.00 134 M 8.24 3.99 0.00 2.17 2.45 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 135 A 7.65 3.21 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 0.00 136 A 7.89 3.85 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 0.00 137 A 7.90 3.98 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 0.00 138 L 7.35 4.02 0.00 1.56 1.63 0.60 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.51 4.03 0.00 1.89 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 0.00 2.50 2.41 0.00 140 H 8.04 4.59 0.00 3.25 3.17 0.00 5.69 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