NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.0924 8.2549 120.8601 56.7262 31.1525 171.5974 4 K 3.5137 8.8348 130.6221 55.4190 31.5460 174.0386 5 L 4.2807 9.1421 125.3890 54.3787 43.3864 176.1499 6 K 4.4618 8.1125 119.3889 54.9347 33.4763 177.1528 7 T 3.8385 8.4717 118.9954 63.9249 68.7123 174.3804 8 L 4.2066 8.3285 126.0555 53.8022 42.6481 175.2825 9 P 4.4256 0.0000 0.0000 61.7427 31.8662 175.8880 10 P 4.4611 0.0000 0.0000 66.3764 30.9587 177.6766 11 T 4.1029 7.8961 114.1720 65.3402 68.6465 175.1148 12 L 4.5250 8.0802 119.7979 54.6840 42.9567 177.2069 13 R 4.1602 7.7146 114.6391 55.4092 30.1759 176.1229 14 D 4.3660 8.4591 119.3693 54.6920 41.5963 176.1464 15 K 4.4946 8.5448 122.3741 55.3149 33.5307 175.3183 16 N 5.4200 8.7207 121.8689 51.4293 42.0990 174.3260 17 R 4.6827 8.6091 118.5527 54.7422 34.6140 173.9957 18 Y 4.9819 9.5167 120.9451 56.3367 40.7461 174.6159 19 I 4.9726 8.9258 124.6901 59.5120 39.9654 174.4649 20 A 4.9342 8.6750 129.5650 50.8842 20.6056 176.0257 21 F 5.3160 8.4118 115.9433 55.2999 42.3401 172.9546 22 E 5.0044 9.5870 119.7512 54.5186 33.1094 174.0108 23 I 4.8081 9.0524 127.4573 59.9480 38.9766 175.0233 24 I 4.5677 8.6942 129.0073 60.0861 38.7534 175.0966 25 S 4.9339 8.2896 119.9180 58.4141 64.5457 176.4589 26 D 4.5101 9.2488 119.8572 55.6036 41.0829 177.0186 27 G 3.9368 7.3018 108.3500 44.0868 0.0000 172.4608 28 D 5.0668 7.9681 118.5193 52.6273 42.9758 176.3410 29 F 5.0799 8.5213 118.6194 55.4301 43.0887 175.5302 30 T 4.6472 8.8576 115.2487 60.4061 71.7101 176.0861 31 K 4.1289 8.6292 121.5413 59.8360 32.1909 178.3484 32 D 4.3864 8.1380 118.6997 57.4949 40.7871 178.4813 33 E 4.2386 8.3121 119.1129 59.3992 29.5947 179.6458 34 V 3.1725 7.5394 117.9117 65.5772 31.5165 178.0017 35 K 3.8739 8.0353 119.4681 59.3252 31.9709 178.4364 36 E 3.9192 8.0834 119.8131 59.2458 29.7022 178.8340 37 L 3.5483 7.2639 119.7395 58.3862 40.0859 179.4550 38 I 3.4193 7.2894 120.4062 64.0653 37.0622 178.4195 39 W 3.7705 8.0368 119.7501 59.4086 28.8163 178.8555 40 K 4.0379 8.5597 119.0234 59.5207 31.5569 179.4035 41 S 3.9866 7.9873 113.3696 61.2813 62.3293 175.9525 42 S 3.9704 8.0614 116.0039 61.4790 62.2104 176.1773 43 L 4.0711 8.0309 121.5938 57.6416 41.1007 179.2666 44 E 3.9102 7.9082 118.3102 59.3004 29.7728 178.7354 45 V 3.7759 8.0674 117.2042 65.4906 32.1683 177.1717 46 L 4.5333 8.4726 117.1944 53.4112 42.4585 177.6199 47 G 4.3261 7.8689 108.0086 44.8916 0.0000 174.4771 48 E 4.0336 8.5248 116.9833 59.5868 29.4701 179.7667 49 T 3.9194 7.8702 115.4600 66.6044 68.6467 176.8952 50 G 3.8606 7.8348 108.4510 47.6445 0.0000 175.7286 51 T 3.8838 8.0320 117.8941 66.1797 68.1494 176.6605 52 A 4.0061 7.6464 122.1044 54.9411 18.4103 179.4487 53 I 3.6910 7.1129 117.3341 64.3130 37.5295 178.4312 54 V 3.5268 8.0750 119.4821 63.3837 32.0626 175.9264 55 K 3.8821 8.1504 116.7331 56.5865 29.7455 173.9174 56 P 4.4338 0.0000 0.0000 62.8331 32.3996 176.3848 57 W 4.7636 8.5859 130.5790 56.3358 34.2407 173.1033 58 L 4.3508 8.2470 130.6754 55.5785 41.4555 176.4478 59 I 4.3859 9.1278 128.7206 63.9387 37.9923 176.4622 60 K 4.6557 7.8710 119.4629 55.6588 35.4015 173.6829 61 F 5.3560 8.9237 127.0531 56.6273 42.9049 173.4165 62 D 4.3228 8.5460 126.5515 51.7033 41.7687 174.4587 63 P 4.2537 0.0000 0.0000 65.7552 31.7885 177.9490 64 N 4.4254 8.3533 114.3515 56.3096 38.3790 175.9096 65 T 4.3959 7.6188 103.8311 60.4309 69.8174 174.2152 66 K 3.8305 7.9873 121.8669 58.2429 30.3752 174.3697 67 T 4.6900 6.8050 106.0993 60.2478 72.9911 173.0167 68 G 4.2778 7.1002 108.0160 46.0140 0.0000 171.8253 69 I 5.4926 9.2426 120.3497 59.3556 40.8590 175.5608 70 V 5.0009 9.1512 125.9128 60.0307 34.4536 174.9115 71 R 4.7573 9.4523 125.3586 55.8110 32.2059 174.7567 72 S 4.9256 8.4571 116.9795 56.6089 66.6886 172.7643 73 D 4.5236 9.1296 124.9882 54.4444 41.5579 177.0724 74 R 3.8694 9.0348 126.6924 59.7569 30.0779 177.5551 75 E 4.0789 8.6238 114.8018 58.0070 29.7986 176.8084 76 Y 4.8658 7.9304 117.0966 57.2261 39.1924 177.8181 77 V 3.6929 8.1689 123.1286 65.7729 31.4547 177.3362 78 E 3.9445 8.2394 117.3519 59.4726 29.2381 178.7906 79 Y 3.9866 8.1019 117.0753 60.5935 37.9959 177.7764 80 L 3.9611 7.9716 121.0378 57.9446 42.2994 178.4954 81 R 3.8212 8.3161 119.1751 59.4724 29.8879 178.1966 82 F 4.1641 8.2524 119.9200 61.3016 39.2106 176.8251 83 A 3.7235 7.8087 118.8977 55.2030 18.5619 179.2656 84 L 3.8449 8.2508 117.7317 58.0726 41.4267 179.4828 85 M 4.0260 7.7699 117.1089 58.0254 32.2247 177.3521 86 L 4.0941 7.0566 116.3556 54.1230 42.2896 176.8745 87 V 3.8747 6.8778 119.7470 62.3922 32.2206 175.5635 88 S 4.6916 8.3327 117.4249 56.6176 64.2174 172.7722 89 E 5.1939 7.8934 118.1124 55.3044 32.4397 173.7897 90 F 4.8362 9.0485 127.0192 58.0140 42.5969 174.0513 91 N 3.6293 9.0484 125.0977 54.4207 35.8636 175.1002 92 G 3.8671 8.4275 102.5285 45.6167 0.0000 173.7955 93 K 4.5727 7.7531 119.5734 53.9537 34.2402 176.2390 94 R 4.6546 8.5945 123.5558 56.5324 30.4959 175.6560 95 L 4.8975 8.5190 120.1175 55.0985 44.5471 173.8764 96 I 4.7796 8.8608 120.6672 59.6940 40.7527 174.5207 97 I 4.7285 8.3619 127.4578 59.9290 38.9496 175.0453 98 R 4.6938 8.9725 126.8678 54.6105 32.9608 174.1020 99 T 4.6594 8.5440 116.9149 61.3526 69.4216 174.7110 100 L 4.1411 9.1218 126.5149 56.0988 42.9305 176.7498 101 G 2.7798 6.5535 104.0014 45.8315 0.0000 171.8045 102 V 5.1284 7.8606 118.2104 61.5140 34.8873 174.2934 103 S 4.7718 9.0105 118.6466 57.3227 65.8989 175.1868 104 G 3.9193 8.9884 112.3679 47.0894 0.0000 174.2854 105 T 4.7534 7.9195 109.9779 59.0202 73.2084 174.8914 106 I 3.3595 7.5733 123.3498 64.1793 37.2212 178.3807 107 K 3.8148 7.9278 119.9920 59.8468 32.0959 178.6177 108 R 3.9045 7.8957 118.4523 58.9898 29.8584 178.1917 109 L 4.1023 7.9659 120.3053 58.1140 42.1877 179.0476 110 K 3.8419 8.2106 118.7113 59.5373 31.8590 179.3360 111 R 3.9085 7.7435 114.7633 59.3751 29.1005 178.3758 112 K 3.8596 7.6255 117.4799 57.6339 32.4091 177.6416 113 F 4.9544 8.3062 114.4793 56.7529 41.1587 175.5410 114 L 4.6336 7.7165 118.3502 54.4951 43.2454 178.0894 115 A 4.1165 8.2591 121.8306 55.0095 18.0354 179.5702 116 K 3.9466 8.0820 115.2994 59.2685 32.6121 177.6590 117 Y 4.6140 8.0139 116.8076 57.4667 38.1782 176.1927 118 G 4.0196 8.3817 108.4710 45.1532 0.0000 174.1165 119 W 4.0515 8.2884 119.3822 57.1168 29.7511 176.1547 120 K 4.1962 8.7295 122.5933 57.0326 32.5748 174.9650 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 3 R 8.25 4.09 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 4 K 8.83 3.51 0.00 2.02 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.47 7.81 5 L 9.14 4.28 0.00 1.62 1.60 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.11 4.46 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 7 T 8.47 3.84 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 1.22 0.00 0.00 8 L 8.33 4.21 0.00 1.61 1.60 0.96 1.09 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 9 P 0.00 4.43 0.00 2.17 1.97 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 10 P 0.00 4.46 0.00 2.18 2.24 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 11 T 7.90 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 L 8.08 4.53 0.00 1.56 1.70 0.92 0.90 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 13 R 7.71 4.16 0.00 1.92 1.94 0.00 3.06 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 14 D 8.46 4.37 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 15 K 8.54 4.49 0.00 1.68 1.75 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 16 N 8.72 5.42 0.00 2.37 2.29 0.00 0.00 6.94 7.66 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 17 R 8.61 4.68 0.00 1.60 1.73 0.00 3.27 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 18 Y 9.52 4.98 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.93 4.97 2.00 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 1.15 0.76 0.95 0.00 0.00 20 A 8.67 4.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.41 5.32 0.00 3.20 3.02 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 0.00 0.00 0.00 22 E 9.59 5.00 0.00 1.76 1.74 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 2.21 2.19 0.00 23 I 9.05 4.81 2.05 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.03 0.79 0.00 0.00 24 I 8.69 4.57 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.08 0.96 0.00 0.00 25 S 8.29 4.93 0.00 4.19 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 26 D 9.25 4.51 0.00 2.73 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 27 G 7.30 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.97 5.07 0.00 2.61 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 29 F 8.52 5.08 0.00 3.03 2.85 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 0.00 0.00 0.00 0.00 30 T 8.86 4.65 4.34 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 1.28 0.00 0.00 31 K 8.63 4.13 0.00 2.03 1.95 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.72 7.81 32 D 8.14 4.39 0.00 2.81 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 33 E 8.31 4.24 0.00 2.42 2.43 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 2.71 2.46 0.00 34 V 7.54 3.17 1.82 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 0.76 0.00 0.00 -0.27 0.00 0.00 35 K 8.04 3.87 0.00 1.80 1.87 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.60 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.36 1.36 7.81 36 E 8.08 3.92 0.00 2.26 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 0.00 2.54 2.41 0.00 37 L 7.26 3.55 0.00 1.10 0.13 0.51 0.24 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 38 I 7.29 3.42 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.54 0.00 0.00 39 W 8.04 3.77 0.00 3.44 3.27 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 40 K 8.56 4.04 0.00 1.87 1.92 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.71 1.75 7.81 41 S 7.99 3.99 0.00 3.85 3.68 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 S 8.06 3.97 0.00 3.69 3.56 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 43 L 8.03 4.07 0.00 2.00 1.76 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.91 3.91 0.00 2.09 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 0.00 2.32 2.32 0.00 45 V 8.07 3.78 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 1.00 0.00 0.00 0.80 0.00 0.00 46 L 8.47 4.53 0.00 1.75 1.64 0.98 1.16 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 47 G 7.87 4.33 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 0.00 48 E 8.52 4.03 0.00 2.04 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 0.00 2.45 2.43 0.00 49 T 7.87 3.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 50 G 7.83 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 51 T 8.03 3.88 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 1.02 0.00 0.00 52 A 7.65 4.01 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 53 I 7.11 3.69 1.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 -0.07 0.00 0.00 54 V 8.07 3.53 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 0.99 0.00 0.00 0.87 0.00 0.00 55 K 8.15 3.88 0.00 1.89 1.85 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 56 P 0.00 4.43 0.00 1.64 1.74 0.00 3.59 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.29 0.00 57 W 8.59 4.76 0.00 3.59 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.25 4.35 0.00 1.62 1.45 1.32 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.13 4.39 2.24 0.00 0.00 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 1.62 1.40 1.11 0.00 0.00 60 K 7.87 4.66 0.00 2.01 1.92 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.37 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.36 1.69 7.81 61 F 8.92 5.36 0.00 3.13 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 62 D 8.55 4.32 0.00 2.16 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 63 P 0.00 4.25 0.00 2.08 2.37 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.38 0.00 64 N 8.35 4.43 0.00 2.81 2.86 0.00 0.00 6.79 7.54 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 65 T 7.62 4.40 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 1.39 0.00 0.00 66 K 7.99 3.83 0.00 2.04 2.18 0.00 1.74 0.00 0.00 1.94 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.65 1.47 7.81 67 T 6.81 4.69 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 0.40 0.00 0.00 68 G 7.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 9.24 5.49 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.46 1.11 0.00 0.00 70 V 9.15 5.00 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 0.87 0.00 0.00 0.85 0.00 0.00 71 R 9.45 4.76 0.00 1.98 2.04 0.00 3.14 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.00 72 S 8.46 4.93 0.00 3.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 9.13 4.52 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.03 3.87 0.00 1.76 1.96 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 75 E 8.62 4.08 0.00 1.86 1.52 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 2.31 2.34 0.00 76 Y 7.93 4.87 0.00 3.06 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 77 V 8.17 3.69 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 1.28 0.00 0.00 1.01 0.00 0.00 78 E 8.24 3.94 0.00 1.84 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 0.00 2.35 2.25 0.00 79 Y 8.10 3.99 0.00 3.40 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 80 L 7.97 3.96 0.00 1.74 1.79 0.74 0.76 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 81 R 8.32 3.82 0.00 1.95 2.10 0.00 3.11 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 82 F 8.25 4.16 0.00 3.08 3.19 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 0.00 83 A 7.81 3.72 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 84 L 8.25 3.84 0.00 1.65 1.50 0.65 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 M 7.77 4.03 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 86 L 7.06 4.09 0.00 1.46 1.47 0.37 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 87 V 6.88 3.87 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 0.61 0.00 0.00 0.75 0.00 0.00 88 S 8.33 4.69 0.00 3.81 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 89 E 7.89 5.19 0.00 1.97 1.79 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 2.25 2.35 0.00 90 F 9.05 4.84 0.00 3.10 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 91 N 9.05 3.63 0.00 2.73 2.69 0.00 0.00 7.13 7.65 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 92 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 93 K 7.75 4.57 0.00 2.02 1.75 0.00 1.13 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.24 1.27 7.81 94 R 8.59 4.65 0.00 1.86 1.91 0.00 3.45 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 95 L 8.52 4.90 0.00 1.77 1.89 0.50 1.19 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 96 I 8.86 4.78 1.89 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 1.23 0.74 0.91 0.00 0.00 97 I 8.36 4.73 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.37 0.78 0.00 0.00 98 R 8.97 4.69 0.00 1.85 1.88 0.00 3.11 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 99 T 8.54 4.66 4.18 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 1.16 0.00 0.00 100 L 9.12 4.14 0.00 1.29 1.70 0.74 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 101 G 6.55 2.78 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 0.00 0.00 0.00 102 V 7.86 5.13 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 0.90 0.00 0.00 0.87 0.00 0.00 103 S 9.01 4.77 0.00 4.11 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 0.00 104 G 8.99 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 0.00 105 T 7.92 4.75 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 1.27 0.00 0.00 106 I 7.57 3.36 1.62 0.00 0.00 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 0.82 -0.36 0.86 0.00 0.00 107 K 7.93 3.81 0.00 1.84 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.56 7.81 108 R 7.90 3.90 0.00 1.97 1.94 0.00 3.18 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 109 L 7.97 4.10 0.00 2.05 1.82 1.14 0.57 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 0.00 110 K 8.21 3.84 0.00 1.99 1.92 0.00 2.07 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.64 7.81 111 R 7.74 3.91 0.00 1.94 2.17 0.00 3.02 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 112 K 7.63 3.86 0.00 1.11 0.74 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.32 7.81 113 F 8.31 4.95 0.00 2.88 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 0.00 114 L 7.72 4.63 0.00 1.27 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.26 4.12 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 0.00 116 K 8.08 3.95 0.00 1.70 1.85 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.27 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 0.69 7.81 117 Y 8.01 4.61 0.00 3.33 3.23 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 0.00 118 G 8.38 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 119 W 8.29 4.05 0.00 3.37 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 0.00 120 K 8.73 4.20 0.00 2.01 1.86 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.46 7.81