NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8960 8.1976 109.7406 43.5991 0.0000 174.5687 2 S 4.0383 8.9398 114.9278 58.3911 61.4606 168.7009 3 E 4.5460 7.6482 122.1903 56.1376 30.8204 177.0970 4 G 4.1434 8.2844 110.2880 44.7443 0.0000 170.9607 5 A 4.4461 8.1870 123.3925 50.8832 22.0153 175.3964 6 A 4.5148 8.2934 122.9217 51.0695 19.7128 176.9799 7 T 4.5759 7.8712 115.8005 61.4758 70.2497 173.3509 8 M 4.4312 8.6404 125.1519 55.3780 31.9878 175.8837 9 A 4.8788 7.1555 121.0047 51.0038 21.6344 176.5479 10 T 4.8414 7.8488 114.3441 62.8581 72.8059 172.8605 11 K 4.7983 8.6896 122.8769 55.0871 37.3491 174.6413 12 I 4.9612 8.0109 119.4847 59.0850 41.2375 174.9904 13 D 4.7342 9.3071 129.6239 58.3241 40.9775 179.9853 14 K 4.4302 7.4837 121.5884 58.8901 32.6192 177.1455 15 E 3.8959 8.3384 117.5084 59.9438 29.1312 179.0418 16 A 4.1127 7.8899 121.9680 54.4890 18.4599 178.8349 17 C 4.2409 8.6816 115.7442 62.7868 28.3044 175.9814 18 R 3.8297 8.6981 120.0345 59.6850 29.5992 178.1223 19 A 3.9242 7.6700 118.5236 55.2591 18.2218 179.4584 20 A 3.8274 7.7866 118.9655 55.5419 18.4337 179.2346 21 Y 3.4746 8.4592 117.8885 59.9505 38.6370 177.8398 22 N 3.9220 7.6464 117.0038 55.6352 39.0134 177.0861 23 L 4.0735 7.7046 119.4894 57.1637 41.7124 179.0211 24 V 4.7579 6.6188 118.3150 62.3495 32.8141 177.2547 25 R 3.8271 7.0091 118.8498 58.5569 30.0652 176.3479 26 D 4.4818 8.1664 116.9860 53.5128 41.5450 175.0802 27 D 4.5049 8.5029 122.1113 56.2759 39.1122 178.4520 28 G 4.1728 8.2741 109.4474 43.8321 0.0000 172.1662 29 S 4.3269 8.0513 113.9887 58.5142 62.6917 173.7451 30 A 3.7248 8.1136 118.1725 52.0611 16.5527 178.5593 31 V 4.2627 7.3072 117.3057 62.9332 34.6671 174.5770 32 I 4.6266 8.1617 118.5410 60.3740 40.3354 174.7902 33 W 5.7986 7.5764 118.8888 54.9444 32.0959 174.6667 34 V 4.6988 8.8311 118.9341 61.0359 34.5370 172.5937 35 T 5.1401 8.8015 114.2148 60.1610 71.8954 173.5920 36 F 5.3673 9.5932 122.4279 56.0032 41.6942 174.6801 37 R 4.6343 8.6368 120.9514 54.8332 32.3590 174.7836 38 Y 4.9823 8.4857 116.5206 56.8956 39.2467 175.4565 39 D 4.8518 9.0957 120.5142 53.6966 42.3421 175.1161 40 G 3.3587 9.5543 104.8464 46.0210 0.0000 173.7183 41 A 3.7256 8.8918 120.6219 53.0690 16.8152 177.7382 42 T 4.8430 7.6758 115.2482 64.1320 72.8098 173.3680 43 I 4.1564 9.0654 129.5298 61.6292 38.1899 175.8844 44 V 4.8140 9.2401 119.6006 58.6578 36.4294 172.6769 45 P 4.2083 0.0000 0.0000 64.6927 31.6596 175.4198 46 G 3.6213 9.3863 116.5121 48.0318 0.0000 175.2718 47 D 5.0222 6.0941 124.7776 53.8873 43.7632 175.6621 48 Q 3.7025 7.6434 117.1988 54.8196 32.0174 173.0637 49 G 3.5970 5.3800 112.1228 46.4303 0.0000 173.2357 50 A 4.3252 8.5244 121.3052 52.6847 19.9206 176.9088 51 D 4.7585 8.1361 116.0048 53.3073 40.8084 175.8509 52 Y 4.0033 8.9841 128.9583 60.8968 38.3023 177.8727 53 Q 4.1569 8.2782 118.1135 58.7250 28.6158 177.7998 54 H 4.1917 8.5380 117.0699 58.0417 29.0782 177.2227 55 F 3.2056 6.9134 122.2048 60.8326 38.7220 177.3123 56 I 2.5708 6.6901 118.6199 63.4809 36.5274 177.4946 57 Q 4.0581 6.9222 116.2777 56.6435 28.6319 176.2426 58 Q 4.2834 7.3359 119.2739 56.7217 30.6417 175.8414 59 C 3.9717 6.6719 116.1166 59.1319 27.9924 172.6654 60 T 4.9321 8.5216 113.8583 59.9556 71.2072 173.8245 61 D 4.8738 9.0106 118.1374 55.1020 41.5634 177.2793 62 D 5.2617 7.8739 117.5087 53.4829 42.2420 175.8898 63 V 4.7265 7.9177 117.2708 61.0675 35.0872 172.6059 64 R 5.0852 8.1984 117.8141 54.9325 32.3751 173.8163 65 L 4.3683 8.6317 121.3277 55.4575 44.4294 173.2522 66 F 5.2277 8.6107 118.1921 57.1553 41.1238 175.6410 67 A 5.1324 9.4644 122.8130 50.5675 21.8445 175.3010 68 F 4.9887 10.1676 126.1164 58.5379 40.5059 174.5763 69 V 4.9189 8.1144 126.8336 60.9941 34.4342 174.1822 70 R 4.4958 8.6213 127.7903 55.2621 31.3914 175.6787 71 F 4.7327 7.9308 123.5292 55.5840 42.7360 174.2846 72 T 4.1258 8.7756 115.3825 61.8055 68.5439 173.8346 73 T 4.5176 7.9119 115.1221 61.2515 69.3297 175.5390 74 G 4.2253 7.6730 112.9177 43.7897 0.0000 173.7023 75 D 4.7919 8.1571 121.8958 54.0263 42.5369 176.8902 76 A 4.1673 7.3578 122.2938 52.5862 18.6577 177.9459 77 M 4.2032 7.1242 115.6554 55.1093 34.2070 178.1433 78 S 4.6533 7.5258 113.3853 57.8706 65.1713 174.7480 79 K 5.3321 8.1501 116.9867 55.5968 32.6545 176.7982 80 R 4.1213 7.7746 120.0740 56.3800 30.7107 174.9251 81 S 4.7644 8.2686 114.5822 56.3378 64.9444 173.3111 82 K 4.5005 7.6110 120.5372 55.1156 34.1625 177.9743 83 F 4.3665 7.6513 115.1401 57.7304 38.1033 173.4434 84 A 4.0731 7.3625 116.0531 51.8260 22.0537 176.1088 85 L 4.6385 8.8253 126.1317 54.5005 42.2966 175.1551 86 I 4.6714 9.3242 126.8677 61.2079 37.7966 175.4791 87 T 4.6168 9.5141 126.3085 62.4279 68.9118 173.9530 88 W 5.2424 9.6490 135.0000 56.9375 32.6313 175.7901 89 I 4.1653 6.9320 127.2446 59.7913 39.3544 174.3403 90 G 3.6006 8.2102 114.2218 44.8849 0.0000 171.8482 91 E 4.3066 8.6992 123.9106 56.8115 29.4506 176.0673 92 D 4.8526 7.6738 117.6034 55.0634 43.5365 177.0136 93 V 3.7078 7.0339 110.4050 61.1534 32.2924 175.8412 94 S 4.2010 8.5787 116.1952 58.1071 63.2243 175.1951 95 G 4.0146 8.8425 114.6077 48.4921 0.0000 174.9037 96 L 3.8031 8.2056 121.9427 58.2910 41.8560 178.7825 97 Q 3.8057 8.0479 117.1415 59.3598 28.4011 180.1306 98 R 3.9258 7.8047 118.7320 59.1550 30.0428 178.0351 99 A 3.8003 8.1866 119.8074 53.9595 18.6443 178.9902 100 K 4.2164 8.5350 117.4023 59.3006 31.4582 179.1133 101 T 4.1643 8.2772 116.3187 67.0300 68.4093 176.5542 102 G 3.8748 7.7912 107.2205 48.0400 0.0000 176.0698 103 T 4.0245 8.6327 118.5269 66.4259 68.5828 176.1882 104 D 4.7031 7.7740 117.0489 55.6992 40.6873 178.2307 105 K 3.9610 8.0702 121.1823 59.8819 31.9767 178.5148 106 T 3.8106 7.6299 114.6843 66.2357 68.4946 176.3138 107 L 4.0372 7.8056 121.1154 57.7872 41.9825 179.4916 108 V 3.1292 7.2469 117.5077 65.5303 31.0410 177.7530 109 K 3.6744 7.7646 119.0490 59.1046 32.0179 177.9505 110 E 3.8695 7.2938 117.9169 59.4380 29.4200 179.0861 111 V 3.7746 7.1444 115.9269 63.6098 32.2849 176.2460 112 V 3.1388 6.6010 118.9196 61.2884 31.5040 174.5782 113 Q 4.3760 7.7625 123.5946 56.7137 30.7665 177.6155 114 N 4.4667 8.3234 116.1984 55.8719 39.3570 174.6888 115 F 4.8803 7.6398 108.9903 57.6072 37.4288 173.3335 116 A 4.1915 7.2480 120.4251 52.7200 18.9715 177.6053 117 K 3.9884 6.0343 112.4710 54.9491 36.2765 173.3440 118 E 5.0858 9.0997 122.0090 55.7600 31.1444 175.7434 119 F 4.9445 9.6123 124.4091 56.0755 40.3473 175.6638 120 V 4.6343 8.6349 125.5122 62.4017 31.2326 174.8558 121 I 4.8012 8.9818 129.0995 59.7790 39.5431 176.8738 122 S 4.1670 8.9847 119.1933 57.7923 65.5075 173.6644 123 D 5.2267 8.0810 120.0536 52.0168 43.2210 176.4563 124 R 3.8409 9.1595 125.5693 59.4124 30.1991 178.7058 125 K 4.0695 8.3395 115.5667 58.6544 32.0437 177.0447 126 E 4.4343 8.5968 117.5809 56.7856 30.6288 177.8371 127 L 4.0823 8.3962 118.2280 56.4382 41.9408 176.1363 128 E 3.9639 7.8695 118.8791 56.7631 29.4881 177.2422 129 E 3.7712 8.7082 125.6778 59.4342 28.8372 178.5558 130 D 4.3459 8.0238 118.3894 57.4214 40.7508 178.3959 131 F 4.4097 8.6533 120.1071 61.1254 39.7076 176.9477 132 I 3.6576 7.7508 119.0489 64.3874 37.0061 177.9297 133 R 3.5716 7.7420 118.6430 59.6768 29.9901 178.9068 134 S 4.0584 7.5358 113.2150 61.9388 62.8763 176.9861 135 E 3.7728 7.6220 120.5545 59.5131 28.9925 179.5633 136 L 4.0902 7.5843 116.9255 57.4701 41.7684 178.7561 137 K 3.9118 8.2396 119.5990 58.7589 31.9936 177.7640 138 K 4.2175 7.3803 116.3227 56.4403 34.4705 176.4400 139 A 3.8014 8.2769 122.1418 52.9873 16.6449 176.4586 140 G 4.0783 7.8821 109.2608 45.5962 0.0000 173.1197 141 G 3.8929 9.5341 109.9937 45.8991 0.0000 172.6721 142 A 4.8724 8.1465 125.0240 50.2127 22.3115 175.5083 143 N 4.1931 8.6884 117.0727 55.4341 39.0188 176.4317 144 Y 3.9518 7.8595 112.8044 57.3894 37.2921 169.6021 145 D 4.6555 7.1106 118.3213 52.1800 40.9195 175.2736 146 A 4.4184 7.8210 124.1595 51.9018 21.8721 174.8942 147 Q 4.6012 8.3063 117.3302 54.7310 32.2661 175.5929 148 S 4.6408 8.7225 117.0846 58.7203 63.0972 174.2390 149 E 4.2539 8.0285 125.9714 56.5468 29.4536 175.9163 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 G 8.20 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 0.00 0.00 0.00 2 S 8.94 4.04 0.00 4.20 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 3 E 7.65 4.55 0.00 2.00 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 2.26 2.36 0.00 4 G 8.28 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 5 A 8.19 4.45 1.20 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 0.00 0.00 6 A 8.29 4.51 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.87 4.58 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 1.29 0.00 0.00 8 M 8.64 4.43 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 9 A 7.16 4.88 1.22 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 0.00 0.00 10 T 7.85 4.84 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 1.34 0.00 0.00 11 K 8.69 4.80 0.00 1.65 1.69 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 12 I 8.01 4.96 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.84 0.00 0.00 13 D 9.31 4.73 0.00 3.00 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 14 K 7.48 4.43 0.00 1.76 1.73 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.47 7.81 15 E 8.34 3.90 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 16 A 7.89 4.11 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 17 C 8.68 4.24 0.00 2.94 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 18 R 8.70 3.83 0.00 1.79 2.02 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 19 A 7.67 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 20 A 7.79 3.83 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 3.47 0.00 2.68 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.65 3.92 0.00 2.95 2.68 0.00 0.00 6.81 6.45 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 23 L 7.70 4.07 0.00 1.60 1.61 0.83 0.78 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 24 V 6.62 4.76 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.32 0.00 0.00 25 R 7.01 3.83 0.00 0.67 1.30 0.00 2.61 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 26 D 8.17 4.48 0.00 2.55 2.52 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 27 D 8.50 4.50 0.00 2.80 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 28 G 8.27 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 29 S 8.05 4.33 0.00 3.88 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 30 A 8.11 3.72 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 31 V 7.31 4.26 2.05 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 0.75 0.00 0.00 0.85 0.00 0.00 32 I 8.16 4.63 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.91 0.00 0.00 33 W 7.58 5.80 0.00 3.02 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 V 8.83 4.70 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 0.90 0.00 0.00 0.47 0.00 0.00 35 T 8.80 5.14 4.39 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 1.53 0.00 0.00 36 F 9.59 5.37 0.00 3.09 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 37 R 8.64 4.63 0.00 1.97 2.17 0.00 2.84 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 38 Y 8.49 4.98 0.00 2.96 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 39 D 9.10 4.85 0.00 2.70 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 40 G 9.55 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 0.00 0.00 0.00 41 A 8.89 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 42 T 7.68 4.84 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 1.30 0.00 0.00 43 I 9.07 4.16 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.97 0.78 0.00 0.00 44 V 9.24 4.81 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 1.16 0.00 0.00 1.01 0.00 0.00 45 P 0.00 4.21 0.00 1.91 1.97 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 46 G 9.39 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 47 D 6.09 5.02 0.00 2.99 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 48 Q 7.64 3.70 0.00 1.74 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.87 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 49 G 5.38 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.52 4.33 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 51 D 8.14 4.76 0.00 2.79 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 52 Y 8.98 4.00 0.00 3.18 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 53 Q 8.28 4.16 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 54 H 8.54 4.19 0.00 3.66 3.69 0.00 5.67 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 55 F 6.91 3.21 0.00 1.51 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 56 I 6.69 2.57 1.62 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.60 0.00 0.00 57 Q 6.92 4.06 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 58 Q 7.34 4.28 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 59 C 6.67 3.97 0.00 1.47 1.18 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 60 T 8.52 4.93 4.32 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 1.17 0.00 0.00 61 D 9.01 4.87 0.00 2.69 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 62 D 7.87 5.26 0.00 2.58 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 63 V 7.92 4.73 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 1.04 0.00 0.00 1.08 0.00 0.00 64 R 8.20 5.09 0.00 1.81 1.74 0.00 3.34 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 65 L 8.63 4.37 0.00 1.98 1.90 1.20 1.12 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 66 F 8.61 5.23 0.00 3.29 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 67 A 9.46 5.13 1.03 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 0.00 0.00 68 F 10.17 4.99 0.00 3.50 3.28 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 69 V 8.11 4.92 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 0.57 0.00 0.00 0.73 0.00 0.00 70 R 8.62 4.50 0.00 2.23 1.79 0.00 3.38 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.00 71 F 7.93 4.73 0.00 2.89 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 72 T 8.78 4.13 4.22 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 1.16 0.00 0.00 73 T 7.91 4.52 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 1.19 0.00 0.00 74 G 7.67 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 0.00 0.00 0.00 0.00 75 D 8.16 4.79 0.00 2.61 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 76 A 7.36 4.17 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 7.12 4.20 0.00 2.01 1.99 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 2.48 0.00 78 S 7.53 4.65 0.00 3.89 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 79 K 8.15 5.33 0.00 1.72 1.78 0.00 1.80 0.00 0.00 2.29 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.34 7.81 80 R 7.77 4.12 0.00 1.87 1.84 0.00 3.22 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 81 S 8.27 4.76 0.00 3.46 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 82 K 7.61 4.50 0.00 1.88 1.75 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 83 F 7.65 4.37 0.00 2.95 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 84 A 7.36 4.07 0.42 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 85 L 8.83 4.64 0.00 2.09 1.95 1.15 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 I 9.32 4.67 2.17 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.54 1.33 0.00 0.00 87 T 9.51 4.62 4.39 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 1.03 0.00 0.00 88 W 9.65 5.24 0.00 3.48 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 89 I 6.93 4.17 1.55 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 0.99 0.42 0.70 0.00 0.00 90 G 8.21 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.70 4.31 0.00 2.11 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 2.26 2.24 0.00 92 D 7.67 4.85 0.00 2.67 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 93 V 7.03 3.71 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 0.72 0.00 0.00 0.84 0.00 0.00 94 S 8.58 4.20 0.00 3.83 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 95 G 8.84 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 96 L 8.21 3.80 0.00 1.73 1.62 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.05 3.81 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 98 R 7.80 3.93 0.00 1.79 2.06 0.00 3.10 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 99 A 8.19 3.80 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.22 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 101 T 8.28 4.16 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 1.04 0.00 0.00 102 G 7.79 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 0.00 0.00 0.00 103 T 8.63 4.02 4.39 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 1.25 0.00 0.00 104 D 7.77 4.70 0.00 3.07 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 0.00 105 K 8.07 3.96 0.00 2.21 2.10 0.00 1.75 0.00 0.00 2.05 0.00 0.00 3.15 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.48 1.71 7.81 106 T 7.63 3.81 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 1.19 0.00 0.00 107 L 7.81 4.04 0.00 1.64 1.63 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.25 3.13 1.13 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 0.28 0.00 0.00 -0.46 0.00 0.00 109 K 7.76 3.67 0.00 1.65 1.82 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.29 7.81 110 E 7.29 3.87 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 111 V 7.14 3.77 1.61 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 0.45 0.00 0.00 0.70 0.00 0.00 112 V 6.60 3.14 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.61 0.00 0.00 113 Q 7.76 4.38 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 114 N 8.32 4.47 0.00 2.86 3.11 0.00 0.00 7.28 7.24 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 0.00 115 F 7.64 4.88 0.00 3.32 3.32 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 0.00 116 A 7.25 4.19 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 0.00 117 K 6.03 3.99 0.00 1.73 1.58 0.00 1.81 0.00 0.00 2.09 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.73 1.58 7.81 118 E 9.10 5.09 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 119 F 9.61 4.94 0.00 3.04 3.08 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 0.00 120 V 8.63 4.63 2.17 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 0.80 0.00 0.00 1.06 0.00 0.00 121 I 8.98 4.80 2.34 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 1.29 0.00 0.00 122 S 8.98 4.17 0.00 3.74 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 0.00 123 D 8.08 5.23 0.00 2.71 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 0.00 124 R 9.16 3.84 0.00 1.87 1.83 0.00 2.86 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.57 0.00 125 K 8.34 4.07 0.00 1.74 1.85 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.41 7.81 126 E 8.60 4.43 0.00 2.31 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 0.00 1.91 2.20 0.00 127 L 8.40 4.08 0.00 1.71 1.75 1.21 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.87 3.96 0.00 2.18 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 2.37 2.45 0.00 129 E 8.71 3.77 0.00 1.16 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 2.38 2.16 0.00 130 D 8.02 4.35 0.00 2.76 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 0.00 131 F 8.65 4.41 0.00 2.88 3.29 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 0.00 132 I 7.75 3.66 1.84 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.46 0.58 0.00 0.00 133 R 7.74 3.57 0.00 2.02 1.94 0.00 3.37 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 134 S 7.54 4.06 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.62 3.77 0.00 2.10 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 136 L 7.58 4.09 0.00 1.56 1.62 0.30 0.76 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 0.00 137 K 8.24 3.91 0.00 1.75 1.98 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 138 K 7.38 4.22 0.00 2.01 1.86 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.71 7.81 139 A 8.28 3.80 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 0.00 140 G 7.88 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 9.53 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.15 4.87 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.69 4.19 0.00 2.84 2.97 0.00 0.00 6.76 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 0.00 144 Y 7.86 3.95 0.00 3.18 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 0.00 145 D 7.11 4.66 0.00 2.55 2.39 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 0.00 146 A 7.82 4.42 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.31 4.60 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.45 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 148 S 8.72 4.64 0.00 3.86 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 0.00 149 E 8.03 4.25 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00