NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7605 8.2085 109.7347 44.4472 0.0000 176.0350 2 A 3.6991 8.4691 123.2130 50.7906 17.7816 175.9538 3 L 4.0785 7.6459 115.2139 56.2111 39.9979 172.8786 4 T 4.2949 8.8448 113.7121 60.5559 71.4915 175.3781 5 E 3.9101 8.6304 121.6393 59.2535 29.3959 178.9773 6 S 4.1805 7.9643 114.1001 61.3773 63.4303 176.3179 7 Q 3.9722 8.2321 121.5485 58.5962 28.3996 178.5823 8 A 4.0077 8.3029 121.7582 54.8136 18.2989 179.5463 9 A 4.0591 7.8096 119.5014 55.1019 18.3707 179.9045 10 L 4.0240 7.6800 117.8449 57.9515 41.7135 179.8026 11 V 3.7675 7.8172 119.6759 65.1324 31.3797 178.0713 12 K 4.1464 8.2416 119.5907 59.5807 32.2031 178.7290 13 S 4.1859 8.0335 113.4984 61.5688 62.2010 176.3516 14 S 4.3956 8.4319 116.8404 61.0418 62.8812 176.1817 15 W 4.4443 9.1923 132.7164 60.3000 30.1130 177.9232 16 E 3.4317 8.1833 118.1583 59.1247 29.1966 178.6769 17 E 4.0151 8.0708 118.2393 59.2086 29.4408 179.2217 18 F 3.9538 7.9315 120.7170 61.2272 39.2383 176.6126 19 N 4.0434 7.4225 114.1635 55.4035 38.6975 176.1624 20 A 3.9958 6.9365 119.6761 54.0375 19.8574 177.2897 21 N 4.6790 7.7334 115.8878 50.7843 39.8031 174.3236 22 I 3.2809 7.5108 125.4528 64.4414 37.6309 176.2868 23 P 4.2387 0.0000 0.0000 65.1019 31.1422 178.7959 24 K 3.8805 7.6244 118.0767 59.9219 32.3793 178.6099 25 H 4.2785 7.9709 116.9724 58.8801 28.5891 178.0040 26 T 4.1813 8.2470 112.2914 65.0628 68.7112 176.3434 27 H 4.3851 8.1931 121.3444 59.0118 29.8881 177.2785 28 R 3.9342 8.2935 120.7316 59.1321 29.8888 178.2411 29 F 4.2417 8.5358 120.5414 61.5659 39.5624 177.1886 30 F 3.5496 8.0902 116.8994 60.3933 38.5704 177.8138 31 I 3.7341 7.8315 119.5621 64.2364 36.8547 178.4977 32 L 3.9166 7.7512 120.0191 57.4525 41.3092 179.6551 33 V 3.3615 7.4491 118.2491 66.0596 31.2651 178.2371 34 L 4.1695 7.7125 116.9248 57.5211 41.4647 179.0023 35 E 4.1116 8.1564 118.3592 59.0607 29.4292 178.7480 36 I 4.2496 7.3635 118.4595 62.6829 38.2488 176.1456 37 A 4.4909 8.2747 123.5417 49.2530 20.2004 174.3300 38 P 4.2942 0.0000 0.0000 66.2408 31.4038 178.1288 39 A 4.0829 8.0849 118.5923 54.6920 18.2852 179.0762 40 A 4.1161 8.0998 119.5305 54.9216 18.2902 179.5278 41 K 4.0313 8.0807 118.5921 59.9454 32.0490 178.4335 42 D 4.5040 7.6026 116.0756 56.6717 40.7031 178.3246 43 L 4.0082 7.7046 119.4382 55.5901 41.8297 176.9948 44 F 4.3608 7.5655 118.9923 55.2847 39.6941 176.7607 45 S 4.1949 8.5565 121.5611 61.0781 62.6997 175.2435 46 F 4.6159 7.5174 112.8398 57.0794 38.6012 175.7581 47 L 4.4986 7.2769 121.1371 55.7049 43.2045 176.7909 48 K 4.1455 8.2136 119.1877 57.9737 32.0902 176.9615 49 G 3.9795 9.0297 113.2166 45.4718 0.0000 173.3502 50 T 4.2754 7.2565 109.1229 61.3831 70.1132 173.6111 51 S 4.5129 8.6399 113.1489 59.5519 63.9346 173.6516 52 E 4.5824 7.7140 117.1363 54.0010 31.3246 175.8701 53 V 3.6158 8.2435 121.1058 62.2242 31.5253 174.1602 54 P 4.3335 0.0000 0.0000 63.6827 31.2817 176.0277 55 Q 4.4399 8.5361 117.9855 56.4221 30.3588 175.4983 56 N 5.1168 7.7563 114.6036 52.0793 39.7571 174.5008 57 N 4.6829 7.8195 116.9177 51.6041 40.8746 172.2444 58 P 4.2206 0.0000 0.0000 65.7774 31.3863 178.5236 59 E 3.6226 8.0808 118.4722 59.0516 29.3304 178.5632 60 L 2.8513 7.2896 119.7363 58.1854 41.8389 179.0587 61 Q 3.9885 7.8980 117.3370 58.8912 28.4472 178.5135 62 A 4.0649 7.5586 120.2399 55.3715 18.2639 179.2733 63 H 4.5043 8.4321 114.4797 59.2424 28.8103 177.9727 64 A 4.3174 8.7505 122.9711 55.1402 18.0661 179.9143 65 G 3.8580 8.4084 104.5562 48.0799 0.0000 176.1409 66 K 4.2000 8.0731 120.4025 59.0252 31.9874 179.3931 67 V 3.6273 7.6394 118.7368 66.4203 31.4457 178.2740 68 F 4.0467 8.4313 116.6967 60.2590 38.7518 177.5013 69 K 3.9491 8.3740 119.3698 59.3413 32.0025 178.9769 70 L 3.9499 7.8685 119.5036 57.7105 41.6569 179.5916 71 V 3.5811 7.7222 117.8949 65.9922 31.5566 177.5271 72 Y 3.7896 8.0302 119.4871 60.5865 38.5800 177.7516 73 E 3.0561 7.7268 119.1803 58.7867 29.3675 179.0397 74 A 3.8052 7.6737 120.7138 55.1335 18.3872 179.5852 75 A 3.7498 7.4628 118.8469 55.1304 18.2962 180.0252 76 I 3.5504 7.1936 118.0416 64.3554 37.0694 178.3273 77 Q 3.8222 7.7972 120.4463 59.0769 28.8358 178.2972 78 L 3.9583 7.9693 120.1674 57.8354 41.4205 179.2013 79 E 4.0421 7.8681 118.1980 59.0266 29.6191 178.8646 80 V 3.6764 7.7626 117.7688 66.0001 31.8482 176.9366 81 T 4.1382 7.9794 106.9531 61.5751 69.6313 175.8776 82 G 3.9643 8.6458 109.7573 44.9289 0.0000 173.0103 83 V 4.3801 7.3025 111.0586 59.4749 35.5955 174.9161 84 V 3.9417 8.0192 120.6851 61.2312 31.6878 175.4511 85 V 3.7222 8.1130 128.1958 62.1218 31.3871 175.7676 86 T 3.9377 8.4372 125.2346 63.7224 67.7745 173.4638 87 D 4.8555 8.1790 126.6720 50.8994 42.4168 176.7494 88 A 3.9790 8.6520 119.6263 56.0773 17.8392 179.8880 89 T 3.8285 7.7975 113.2868 66.8962 68.7193 176.8693 90 L 4.0062 8.0125 120.7729 57.5975 41.1217 179.7440 91 K 4.0528 7.9839 118.2281 59.2182 32.0490 178.6371 92 N 4.4715 8.2222 117.5143 56.2470 38.9705 176.9991 93 L 4.1634 8.3387 121.1252 57.7561 41.5798 179.6223 94 G 3.7387 8.1408 105.5640 47.6914 0.0000 175.7461 95 S 4.1046 7.7228 114.3709 61.3377 62.5584 176.6916 96 V 3.6585 7.8323 121.8318 65.0861 30.9788 178.0188 97 H 4.1435 8.1069 116.4342 58.6668 28.5007 177.8210 98 V 3.6364 7.6770 120.0077 66.2320 31.1056 178.2940 99 S 4.1352 7.8676 113.8788 61.2141 62.7587 175.9416 100 K 4.2654 7.9242 118.4428 56.1121 31.9743 177.4313 101 G 3.8091 7.9751 107.6083 46.0718 0.0000 173.8906 102 V 3.7272 7.8027 119.1646 62.0080 32.2510 175.2527 103 A 4.9270 8.6340 128.5135 49.8999 22.0978 176.6110 104 D 4.6872 8.8452 118.4465 57.8138 40.8535 178.9891 105 A 4.3605 7.9226 119.0971 53.8811 19.1957 178.5507 106 H 4.4242 8.4020 114.2314 58.5476 28.5775 177.3836 107 F 4.1856 8.3268 119.7200 60.5701 38.7623 176.1328 108 P 4.3148 0.0000 0.0000 65.1188 31.1091 178.6218 109 V 3.5330 7.7381 117.4618 66.1470 31.4497 178.2703 110 V 3.5966 7.6637 117.3680 65.5046 31.3463 177.9198 111 K 2.7496 8.0234 119.7378 59.2425 31.9377 178.7560 112 E 3.8751 8.2153 118.6789 59.1427 29.3122 179.1665 113 A 3.9419 7.8740 120.9475 55.2390 18.4230 179.8325 114 I 3.8339 8.1291 118.7369 64.4818 37.1132 178.7263 115 L 4.0294 8.1436 120.2494 57.5892 41.4172 179.7634 116 K 3.9189 8.3615 118.8567 59.5497 31.9471 179.4998 117 T 3.8819 7.8431 116.0127 66.9732 68.4096 176.8436 118 I 3.5580 8.2138 121.7701 63.9215 36.8055 178.4968 119 K 3.9108 8.1989 120.9306 59.4610 31.7407 178.8009 120 E 3.9416 7.8474 118.1331 59.0550 29.4352 179.1653 121 V 3.6469 7.7059 117.8797 65.6998 31.8733 177.8533 122 V 4.3131 7.8135 112.1395 58.6653 32.2171 178.6087 123 G 3.8700 8.4257 107.6161 46.2311 0.0000 177.2332 124 A 4.1987 8.9523 128.3616 54.0594 18.2260 178.9349 125 K 4.3892 7.7412 113.9565 56.1295 32.3490 177.0652 126 W 4.3018 8.0569 130.6232 57.3417 31.3820 175.7388 127 S 4.4826 7.2747 118.4992 55.6598 67.0684 174.9861 128 E 3.5045 8.2565 121.7149 59.2663 29.3162 178.9350 129 E 3.8328 8.0299 118.9342 59.3798 29.5514 178.6772 130 L 3.9873 7.6392 120.0698 58.0252 42.3098 178.3250 131 N 4.5082 7.7477 117.3120 56.6631 38.8788 177.0122 132 S 4.1543 8.1978 115.5647 61.3969 63.1346 176.3664 133 A 3.9535 7.8569 124.2499 54.7367 18.0608 179.7157 134 W 4.0941 8.5411 117.3571 59.8302 29.1100 179.1555 135 T 4.0588 8.1118 115.8047 66.5851 67.8510 176.7803 136 I 3.6994 7.7974 121.4294 64.5185 37.2289 178.2714 137 A 3.8933 8.0348 121.4367 55.2739 18.1118 179.1724 138 Y 3.9261 8.4845 118.1800 60.9028 39.0592 177.4542 139 D 4.4815 8.3877 119.8227 57.7296 41.1697 178.8462 140 E 3.9421 8.4342 119.1344 59.3128 29.4152 179.2366 141 L 3.9566 7.8924 120.1652 57.7631 42.1198 178.8277 142 A 3.7131 8.1767 121.3380 54.7180 17.7538 179.5571 143 I 3.4976 7.4174 118.1634 64.4661 37.1335 178.8444 144 V 3.5140 7.1275 117.7838 66.1201 31.4094 178.2789 145 I 3.7428 7.5982 119.5701 64.2036 36.8465 178.6330 146 K 3.7903 7.8178 119.4403 58.8039 31.7132 179.3933 147 K 3.8445 7.4596 119.5502 59.6509 32.2444 178.8691 148 E 4.0552 8.0299 118.4926 59.2479 29.0168 179.4090 149 M 4.2479 7.9370 118.5532 58.4482 32.3890 178.0439 150 D 4.5053 7.8934 118.6659 57.5528 40.7933 178.6338 151 D 4.4087 7.9768 117.9030 56.7512 40.8547 177.8601 152 A 4.3303 7.6667 119.0099 52.7211 19.1455 176.9892 153 A 4.1625 7.6345 124.6947 52.2633 18.7282 177.2200 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 8.21 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 2 A 8.47 3.70 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 3 L 7.65 4.08 0.00 1.68 2.03 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.84 4.29 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 1.30 0.00 0.00 5 E 8.63 3.91 0.00 2.04 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 2.38 2.36 0.00 6 S 7.96 4.18 0.00 4.08 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 7 Q 8.23 3.97 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 8 A 8.30 4.01 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 9 A 7.81 4.06 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 10 L 7.68 4.02 0.00 1.89 1.78 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.82 3.77 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 0.54 0.00 0.00 0.56 0.00 0.00 12 K 8.24 4.15 0.00 2.13 1.92 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.69 7.81 13 S 8.03 4.19 0.00 4.02 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 14 S 8.43 4.40 0.00 4.46 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 0.00 15 W 9.19 4.44 0.00 3.57 3.03 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 16 E 8.18 3.43 0.00 2.15 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 2.66 0.00 17 E 8.07 4.02 0.00 2.25 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 2.33 2.52 0.00 18 F 7.93 3.95 0.00 2.91 2.88 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 19 N 7.42 4.04 0.00 1.44 2.10 0.00 0.00 7.26 7.50 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 20 A 6.94 4.00 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 21 N 7.73 4.68 0.00 2.43 2.00 0.00 0.00 6.98 7.27 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 22 I 7.51 3.28 1.73 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.87 0.00 0.00 23 P 0.00 4.24 0.00 2.06 2.21 0.00 3.43 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 2.01 2.06 0.00 24 K 7.62 3.88 0.00 1.65 1.68 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.46 7.81 25 H 7.97 4.28 0.00 2.15 2.86 0.00 5.67 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 26 T 8.25 4.18 4.46 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 1.30 0.00 0.00 27 H 8.19 4.39 0.00 3.32 3.61 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.29 3.93 0.00 2.14 2.19 0.00 3.21 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 29 F 8.54 4.24 0.00 3.48 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 30 F 8.09 3.55 0.00 3.33 2.97 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 31 I 7.83 3.73 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.88 0.00 0.00 32 L 7.75 3.92 0.00 1.74 1.62 1.00 0.80 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 33 V 7.45 3.36 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 1.05 0.00 0.00 0.02 0.00 0.00 34 L 7.71 4.17 0.00 1.75 1.72 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.16 4.11 0.00 2.06 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 2.32 2.59 0.00 36 I 7.36 4.25 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.89 0.00 0.00 37 A 8.27 4.49 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.29 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 39 A 8.08 4.08 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 40 A 8.10 4.12 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 41 K 8.08 4.03 0.00 1.98 1.90 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 42 D 7.60 4.50 0.00 2.70 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 43 L 7.70 4.01 0.00 0.70 0.97 0.51 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.57 4.36 0.00 2.65 1.64 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 45 S 8.56 4.19 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 46 F 7.52 4.62 0.00 3.01 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 47 L 7.28 4.50 0.00 1.97 1.73 0.62 0.69 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 48 K 8.21 4.15 0.00 1.82 1.76 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 49 G 9.03 3.98 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 0.00 0.00 0.00 50 T 7.26 4.28 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 51 S 8.64 4.51 0.00 3.82 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 52 E 7.71 4.58 0.00 2.00 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 0.00 2.24 2.28 0.00 53 V 8.24 3.62 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 0.81 0.00 0.00 0.94 0.00 0.00 54 P 0.00 4.33 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 55 Q 8.54 4.44 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.55 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 56 N 7.76 5.12 0.00 2.59 2.70 0.00 0.00 6.79 8.00 0.00 0.00 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 7.82 4.68 0.00 2.66 2.47 0.00 0.00 6.80 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 58 P 0.00 4.22 0.00 2.23 2.24 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 59 E 8.08 3.62 0.00 2.02 1.73 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 2.27 2.27 0.00 60 L 7.29 2.85 0.00 0.73 1.50 0.67 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.90 3.99 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 62 A 7.56 4.06 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 63 H 8.43 4.50 0.00 3.53 3.62 0.00 5.65 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 A 8.75 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.41 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.07 4.20 0.00 2.16 1.99 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.79 7.81 67 V 7.64 3.63 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 0.79 0.00 0.00 1.08 0.00 0.00 68 F 8.43 4.05 0.00 2.92 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 69 K 8.37 3.95 0.00 2.25 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.55 7.81 70 L 7.87 3.95 0.00 1.90 1.67 0.99 1.01 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 71 V 7.72 3.58 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 1.29 0.00 0.00 0.99 0.00 0.00 72 Y 8.03 3.79 0.00 2.87 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 73 E 7.73 3.06 0.00 1.95 1.68 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 1.88 2.14 0.00 74 A 7.67 3.81 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 75 A 7.46 3.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.19 3.55 1.63 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.30 0.77 0.00 0.00 77 Q 7.80 3.82 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 78 L 7.97 3.96 0.00 1.82 1.63 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.87 4.04 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 80 V 7.76 3.68 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 0.87 0.00 0.00 0.93 0.00 0.00 81 T 7.98 4.14 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 82 G 8.65 3.96 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 0.00 0.00 0.00 83 V 7.30 4.38 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 0.67 0.00 0.00 0.88 0.00 0.00 84 V 8.02 3.94 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 0.69 0.00 0.00 0.84 0.00 0.00 85 V 8.11 3.72 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 86 T 8.44 3.94 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 1.22 0.00 0.00 87 D 8.18 4.86 0.00 2.78 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 88 A 8.65 3.98 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 89 T 7.80 3.83 4.42 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 1.23 0.00 0.00 90 L 8.01 4.01 0.00 1.69 1.69 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.98 4.05 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.79 7.81 92 N 8.22 4.47 0.00 2.87 2.82 0.00 0.00 7.13 6.70 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 93 L 8.34 4.16 0.00 1.96 1.84 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.14 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 95 S 7.72 4.10 0.00 3.96 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 96 V 7.83 3.66 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 0.83 0.00 0.00 0.87 0.00 0.00 97 H 8.11 4.14 0.00 3.52 3.47 0.00 5.82 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 98 V 7.68 3.64 2.30 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 1.12 0.00 0.00 1.05 0.00 0.00 99 S 7.87 4.14 0.00 4.03 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 0.00 100 K 7.92 4.27 0.00 1.83 1.67 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.51 7.81 101 G 7.98 3.81 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 0.00 0.00 0.00 102 V 7.80 3.73 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 0.74 0.00 0.00 0.83 0.00 0.00 103 A 8.63 4.93 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 0.00 104 D 8.85 4.69 0.00 2.81 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 0.00 105 A 7.92 4.36 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 0.00 106 H 8.40 4.42 0.00 3.37 3.17 0.00 5.67 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 0.00 107 F 8.33 4.19 0.00 3.35 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 0.00 108 P 0.00 4.31 0.00 2.19 2.14 0.00 3.92 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 2.17 2.22 0.00 109 V 7.74 3.53 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 0.96 0.00 0.00 0.97 0.00 0.00 110 V 7.66 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 1.31 0.00 0.00 0.91 0.00 0.00 111 K 8.02 2.75 0.00 1.36 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.03 7.81 112 E 8.22 3.88 0.00 1.96 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 2.48 2.44 0.00 113 A 7.87 3.94 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 0.00 114 I 8.13 3.83 1.73 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 0.66 0.72 0.62 0.00 0.00 115 L 8.14 4.03 0.00 1.65 1.76 1.01 1.20 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 0.00 116 K 8.36 3.92 0.00 1.82 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.59 7.81 117 T 7.84 3.88 4.66 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 1.32 0.00 0.00 118 I 8.21 3.56 1.49 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.36 0.58 0.00 0.00 119 K 8.20 3.91 0.00 1.74 1.72 0.00 1.19 0.00 0.00 0.75 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.96 0.25 7.81 120 E 7.85 3.94 0.00 2.10 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 2.28 2.50 0.00 121 V 7.71 3.65 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 0.79 0.00 0.00 0.71 0.00 0.00 122 V 7.81 4.31 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 1.30 0.00 0.00 1.24 0.00 0.00 123 G 8.43 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 0.00 124 A 8.95 4.20 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 0.00 125 K 7.74 4.39 0.00 1.91 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.43 7.81 126 W 8.06 4.30 0.00 3.50 3.21 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 0.00 127 S 7.27 4.48 0.00 3.87 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.26 3.50 0.00 1.92 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 2.37 2.29 0.00 129 E 8.03 3.83 0.00 2.00 1.88 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 2.35 2.41 0.00 130 L 7.64 3.99 0.00 1.72 1.50 1.22 0.50 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 0.00 131 N 7.75 4.51 0.00 2.68 2.82 0.00 0.00 6.99 6.46 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 0.00 132 S 8.20 4.15 0.00 4.10 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 0.00 133 A 7.86 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 0.00 134 W 8.54 4.09 0.00 3.54 3.44 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 0.00 135 T 8.11 4.06 4.54 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 1.34 0.00 0.00 136 I 7.80 3.70 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.97 0.89 0.00 0.00 137 A 8.03 3.89 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 0.00 138 Y 8.48 3.93 0.00 3.15 2.97 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 0.00 139 D 8.39 4.48 0.00 3.03 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 0.00 140 E 8.43 3.94 0.00 1.90 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 2.55 2.42 0.00 141 L 7.89 3.96 0.00 1.72 1.56 0.82 0.88 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 0.00 142 A 8.18 3.71 0.99 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 0.00 0.00 143 I 7.42 3.50 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.84 0.00 0.00 144 V 7.13 3.51 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 0.97 0.00 0.00 0.92 0.00 0.00 145 I 7.60 3.74 1.78 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 1.51 0.56 1.00 0.00 0.00 146 K 7.82 3.79 0.00 1.63 1.60 0.00 0.61 0.00 0.00 0.66 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 0.21 7.81 147 K 7.46 3.84 0.00 1.90 1.95 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 148 E 8.03 4.06 0.00 2.15 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 2.55 2.49 0.00 149 M 7.94 4.25 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.85 0.00 150 D 7.89 4.51 0.00 2.88 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 0.00 151 D 7.98 4.41 0.00 2.78 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 0.00 152 A 7.67 4.33 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 0.00 153 A 7.63 4.16 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