NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2743 8.4444 120.2276 55.7473 30.6663 178.8755 3 S 4.2647 8.0878 119.6888 57.7721 62.8401 174.4208 4 K 4.5039 8.2460 134.8070 56.1661 32.3659 176.8551 5 R 4.6296 8.7744 111.2553 55.5366 30.1530 175.7684 6 N 5.1112 8.0258 111.7168 52.8505 40.8970 174.5040 7 K 4.3313 7.9992 118.3688 55.1341 33.0221 175.0584 8 P 4.7822 0.0000 0.0000 62.8045 32.3580 175.3278 9 G 3.8088 8.4915 107.3254 45.8086 0.0000 172.1543 10 K 5.0017 8.3066 119.2155 54.2275 34.3596 176.5015 11 A 4.5303 9.0594 127.2179 52.6333 19.2333 176.6053 12 T 4.6497 8.3783 116.4942 61.4615 72.4002 175.2559 13 G 4.1364 9.0032 108.1835 45.9447 0.0000 172.9967 14 K 4.3006 8.7140 116.0642 55.2371 34.5202 177.6818 15 G 3.8515 9.6885 104.3664 44.8266 0.0000 172.1981 16 K 4.5441 7.9544 115.2818 54.3730 36.4346 174.0475 17 P 4.3020 0.0000 0.0000 62.7135 31.8075 175.9797 18 V 4.4915 7.9367 114.3818 59.7097 35.8299 174.1942 19 G 4.1897 8.1601 109.3944 43.4826 0.0000 173.8461 20 D 4.7486 8.7002 115.4403 54.5296 38.6700 176.4903 21 K 4.6703 8.4160 120.6590 56.0156 33.1129 177.7402 22 W 4.3082 8.5687 116.9145 58.6770 28.2505 177.1351 23 L 3.9077 7.2455 117.0956 54.7058 41.4499 177.0575 24 D 4.5575 7.8011 120.9930 57.0118 41.3838 178.6626 25 D 4.4035 7.8349 117.4766 56.9509 41.1719 178.3780 26 A 4.2046 8.1646 122.0684 54.9785 18.3598 178.8980 27 G 3.9822 7.9079 102.0626 46.1560 0.0000 173.6808 28 K 4.7304 7.7698 119.3808 55.3465 36.4510 177.5480 29 D 4.2057 8.2633 121.1250 56.2158 39.7749 176.5551 30 S 4.2141 8.8713 123.7774 59.9070 62.9139 174.4951 31 G 3.8669 8.1920 108.3469 44.3799 0.0000 172.6650 32 A 4.6257 8.3230 120.0120 50.5254 19.9755 175.8763 33 P 4.7850 0.0000 0.0000 62.5312 33.1655 175.7437 34 I 4.0981 8.1966 121.1002 60.1008 38.2367 174.0683 35 P 4.4621 0.0000 0.0000 62.9750 32.0196 177.3720 36 D 4.2995 8.4475 123.1949 56.5073 39.1326 179.3400 37 R 3.8684 7.6981 118.4953 58.9612 30.4648 178.5127 38 I 3.7154 7.4787 118.9103 64.3868 37.3728 178.2708 39 A 4.0707 8.2555 121.6864 55.0479 17.8723 179.4173 40 D 4.4223 7.6872 116.9382 57.1460 40.8779 178.8689 41 K 4.0945 7.6416 118.2647 59.3594 32.5471 178.8764 42 L 4.4017 7.7360 116.8977 54.3218 42.2477 176.7462 43 R 4.3529 6.8611 118.3517 57.9832 30.3572 176.7222 44 D 4.6767 8.6818 122.4518 54.6327 40.3943 174.5512 45 K 4.0944 7.8570 119.7475 55.9512 33.1268 176.0771 46 E 4.6038 8.2580 125.0535 55.3785 31.2335 175.2021 47 F 4.8552 8.8530 122.7185 55.6142 42.8941 176.0888 48 K 4.0094 9.1159 124.3276 59.1923 32.7172 176.5686 49 S 4.9279 7.8700 110.8313 55.5890 65.9981 174.3233 50 F 4.0386 9.0141 123.1786 61.7554 38.6918 177.1375 51 D 4.4666 8.3260 118.2570 57.3266 40.5685 178.1535 52 D 4.3661 8.1820 118.5382 56.7411 41.2536 177.8236 53 F 2.4967 7.9009 120.8993 60.8090 39.2141 176.6342 54 R 3.4145 7.5613 117.9927 59.2641 29.8655 177.9392 55 K 4.4004 7.8443 120.2663 59.1027 32.0138 178.5248 56 A 4.0028 7.7983 120.4313 54.6993 17.9405 179.9157 57 V 3.0447 7.0833 117.1108 65.9183 31.3269 178.3774 58 W 4.5313 7.6680 116.9703 59.2140 29.1480 178.3850 59 E 4.3702 8.2449 119.0134 59.6646 28.9246 179.2215 60 E 4.0566 7.9232 117.9933 58.8799 29.2960 179.7362 61 V 3.6185 7.4214 117.8779 65.9513 31.4474 178.0968 62 S 4.2124 7.9301 112.9220 61.2625 62.8049 175.7684 63 K 4.5428 7.3769 118.6509 55.7788 32.4143 176.2491 64 D 4.7571 8.0402 120.8393 51.5821 41.6053 174.3749 65 P 4.2664 0.0000 0.0000 65.8182 31.5283 177.9113 66 E 4.1510 8.2346 116.4110 59.6280 29.2520 179.4178 67 L 4.2006 7.6778 116.6429 57.1108 42.0323 178.6957 68 S 4.7094 8.0913 112.1502 58.0868 63.2288 175.6173 69 K 3.8452 7.6572 124.1540 60.1243 32.0542 177.0022 70 N 4.6732 8.0225 111.9806 53.8004 38.8753 175.1438 71 L 4.3477 7.6648 119.8280 53.8621 42.6848 177.2030 72 N 4.6915 8.4971 120.6909 51.7787 39.7702 174.2931 73 P 4.2383 0.0000 0.0000 65.8498 31.3579 178.5610 74 S 4.1243 8.1422 111.2360 61.8824 62.1039 176.0295 75 N 4.6085 9.3052 118.9752 55.8830 38.0802 177.6287 76 K 4.0294 8.0940 119.5685 60.0333 32.3309 178.5013 77 S 4.1061 8.3799 114.3854 61.9915 62.5784 177.3152 78 S 4.0603 8.1548 115.0258 62.0817 62.8603 177.6870 79 V 3.8128 7.9009 115.1648 64.3828 31.0913 178.9933 80 S 4.1958 8.0510 114.7747 61.1915 62.7828 175.4159 81 K 4.0758 8.0385 118.0447 56.6372 32.6973 177.4819 82 G 3.8605 8.2261 107.9093 45.8147 0.0000 172.1428 83 Y 4.8627 7.6433 116.8442 56.1150 39.2231 175.7799 84 S 2.7900 8.3280 118.7616 56.9975 63.2863 172.1263 85 P 4.3884 0.0000 0.0000 62.6138 32.6182 175.3120 86 F 4.6195 8.7375 120.4452 57.5605 39.4915 175.8284 87 T 3.9712 8.0315 113.3976 59.7801 70.2319 172.8431 88 P 4.3188 0.0000 0.0000 62.6654 32.3323 177.6644 89 K 3.9466 8.5950 121.6645 59.4854 32.3082 178.6917 90 N 4.5010 8.1049 114.2847 54.7586 37.6446 175.2342 91 Q 4.4168 7.9642 117.5642 55.7825 29.3896 175.3587 92 Q 4.5243 7.5084 117.4990 54.8387 30.0857 176.0072 93 V 4.1984 8.1926 119.3467 61.3174 33.8718 178.7684 94 G 3.9163 9.1312 119.3043 46.6119 0.0000 172.9267 95 G 3.7120 9.3133 111.5506 45.9844 0.0000 173.8279 96 R 4.4619 8.1958 120.7994 54.6858 30.8225 176.6281 97 K 4.5509 8.4597 120.7087 55.4637 34.3820 176.0872 98 V 4.5481 7.2737 111.3336 58.8881 34.3959 175.1728 99 Y 4.4361 7.6731 120.6848 59.1653 38.5683 175.9073 100 E 4.8148 10.0029 123.4567 54.6293 32.7278 175.4542 101 L 4.8716 8.9436 124.9560 54.2933 41.6502 176.0076 102 H 4.7270 9.6932 124.8310 55.5896 31.7633 173.7816 103 A 4.4437 7.9014 124.7652 50.4054 19.3045 176.0527 104 D 4.2112 8.8659 123.5714 57.8203 41.0507 176.4724 105 K 4.1389 9.0988 122.1469 54.8242 32.7003 175.1752 106 P 4.4308 0.0000 0.0000 62.4445 32.3112 177.5569 107 I 3.8827 8.7626 122.2503 64.1457 37.3681 178.5091 108 S 4.0653 8.0955 113.3978 61.1809 62.7160 175.8117 109 Q 4.4011 7.9046 118.1006 55.2592 28.4098 176.2185 110 G 3.8799 8.6692 106.2768 45.7888 0.0000 174.1147 111 G 3.7522 7.8592 109.1929 44.8654 0.0000 173.4210 112 E 4.1945 8.5901 124.4812 56.6138 30.3314 177.2990 113 V 3.5702 8.3811 122.5408 65.9310 31.9788 176.6041 114 Y 3.8577 7.7524 115.2875 57.6070 38.0534 174.5263 115 D 4.8417 7.6737 120.6628 53.2381 40.6970 176.7773 116 M 4.3099 8.1103 127.5248 58.0117 32.3360 178.1867 117 D 4.5036 8.0307 118.0512 57.1069 41.4796 177.3377 118 N 4.4078 8.2062 117.6609 56.4270 39.1496 174.8141 119 I 4.5795 7.4459 118.8134 61.3066 37.7371 176.1060 120 R 4.9255 8.9550 125.7042 54.3343 34.0025 174.8404 121 V 4.6978 8.9467 123.0159 62.1881 32.9965 174.9869 122 T 5.7308 9.4306 117.5830 58.8671 72.7275 173.5345 123 T 4.4840 8.7053 112.5829 60.8039 70.2533 173.8183 124 P 4.1378 0.0000 0.0000 65.9208 31.3682 178.6732 125 K 3.9133 8.1320 118.2085 59.4447 32.0401 178.8797 126 R 3.8921 7.8760 118.9575 59.5365 29.5270 177.7125 127 H 3.9801 8.6256 118.5369 59.4601 29.8567 177.1407 128 I 3.7865 8.0612 121.5657 64.7020 35.6992 178.2567 129 D 4.4107 8.0112 119.2417 57.1757 40.3996 178.6757 130 I 3.8292 7.9224 120.2137 64.6873 37.1465 177.6537 131 H 4.2087 7.6713 116.8260 59.9152 29.8989 176.6666 132 R 3.8418 8.0347 116.8468 58.4845 29.7773 176.8800 133 G 3.7332 7.4064 112.3499 45.9702 0.0000 172.3929 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 E 8.44 4.27 0.00 1.99 1.46 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 2.22 2.27 0.00 3 S 8.09 4.26 0.00 3.88 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 4 K 8.25 4.50 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 5 R 8.77 4.63 0.00 1.71 1.84 0.00 2.69 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 6 N 8.03 5.11 0.00 2.80 2.87 0.00 0.00 7.11 7.61 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 7 K 8.00 4.33 0.00 1.83 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.50 7.81 8 P 0.00 4.78 0.00 1.94 2.07 0.00 3.81 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 9 G 8.49 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 10 K 8.31 5.00 0.00 1.58 1.69 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.32 7.81 11 A 9.06 4.53 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 0.00 0.00 0.00 0.00 0.00 12 T 8.38 4.65 4.27 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 1.29 0.00 0.00 13 G 9.00 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 14 K 8.71 4.30 0.00 1.66 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 15 G 9.69 3.85 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 0.00 0.00 0.00 16 K 7.95 4.54 0.00 1.78 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.56 7.81 17 P 0.00 4.30 0.00 2.01 1.94 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 2.00 2.07 0.00 18 V 7.94 4.49 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 0.72 0.00 0.00 0.33 0.00 0.00 19 G 8.16 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 0.00 0.00 0.00 0.00 20 D 8.70 4.75 0.00 3.00 2.86 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 21 K 8.42 4.67 0.00 1.88 1.80 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.55 7.81 22 W 8.57 4.31 0.00 3.63 3.35 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 23 L 7.25 3.91 0.00 1.16 1.25 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.80 4.56 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.83 4.40 0.00 3.03 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 26 A 8.16 4.20 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 27 G 7.91 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 28 K 7.77 4.73 0.00 1.82 1.69 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.38 7.81 29 D 8.26 4.21 0.00 2.81 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.87 4.21 0.00 3.90 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 31 G 8.19 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 32 A 8.32 4.63 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.79 0.00 2.10 2.12 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 34 I 8.20 4.10 1.88 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 1.56 1.42 0.84 0.00 0.00 35 P 0.00 4.46 0.00 1.66 1.43 0.00 3.27 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.65 0.00 36 D 8.45 4.30 0.00 2.80 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 37 R 7.70 3.87 0.00 1.67 1.93 0.00 3.16 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 1.57 1.64 0.00 38 I 7.48 3.72 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.71 0.00 0.00 39 A 8.26 4.07 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 40 D 7.69 4.42 0.00 2.88 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 41 K 7.64 4.09 0.00 1.90 1.96 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.77 7.81 42 L 7.74 4.40 0.00 1.78 1.99 0.63 0.91 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 43 R 6.86 4.35 0.00 2.10 1.86 0.00 3.36 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 44 D 8.68 4.68 0.00 2.87 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 45 K 7.86 4.09 0.00 1.84 1.23 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.32 7.81 46 E 8.26 4.60 0.00 1.81 1.63 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 2.11 2.35 0.00 47 F 8.85 4.86 0.00 2.88 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 48 K 9.12 4.01 0.00 1.91 1.90 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.54 7.81 49 S 7.87 4.93 0.00 4.14 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 50 F 9.01 4.04 0.00 3.05 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 51 D 8.33 4.47 0.00 2.95 2.80 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 52 D 8.18 4.37 0.00 2.95 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 53 F 7.90 2.50 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.56 3.41 0.00 1.72 2.05 0.00 3.38 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 55 K 7.84 4.40 0.00 1.91 1.91 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.30 7.81 56 A 7.80 4.00 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 57 V 7.08 3.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 -0.27 0.00 0.00 58 W 7.67 4.53 0.00 3.31 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 59 E 8.24 4.37 0.00 2.01 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 2.47 2.47 0.00 60 E 7.92 4.06 0.00 1.83 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 2.40 2.39 0.00 61 V 7.42 3.62 2.54 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 1.45 0.00 0.00 1.11 0.00 0.00 62 S 7.93 4.21 0.00 4.13 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 63 K 7.38 4.54 0.00 2.01 1.89 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.64 7.81 64 D 8.04 4.76 0.00 2.79 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 65 P 0.00 4.27 0.00 2.06 2.14 0.00 3.74 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 2.04 2.21 0.00 66 E 8.23 4.15 0.00 2.12 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 2.40 2.34 0.00 67 L 7.68 4.20 0.00 1.85 1.90 0.74 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.09 4.71 0.00 4.16 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 0.00 69 K 7.66 3.85 0.00 1.77 2.12 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.55 7.81 70 N 8.02 4.67 0.00 2.86 2.87 0.00 0.00 6.92 7.85 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 71 L 7.66 4.35 0.00 1.84 1.65 1.02 1.06 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 72 N 8.50 4.69 0.00 3.00 2.98 0.00 0.00 6.23 7.76 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 73 P 0.00 4.24 0.00 2.19 2.17 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 74 S 8.14 4.12 0.00 3.88 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 75 N 9.31 4.61 0.00 2.94 2.90 0.00 0.00 7.10 7.69 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 76 K 8.09 4.03 0.00 1.93 1.92 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.53 7.81 77 S 8.38 4.11 0.00 4.26 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 78 S 8.15 4.06 0.00 4.10 4.03 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 79 V 7.90 3.81 2.55 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 0.99 0.00 0.00 1.14 0.00 0.00 80 S 8.05 4.20 0.00 4.01 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 81 K 8.04 4.08 0.00 1.94 1.78 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.55 7.81 82 G 8.23 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 83 Y 7.64 4.86 0.00 2.92 2.64 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 84 S 8.33 2.79 0.00 3.43 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.39 0.00 2.18 2.06 0.00 2.20 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.77 0.00 86 F 8.74 4.62 0.00 2.89 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 87 T 8.03 3.97 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 0.22 0.00 0.00 88 P 0.00 4.32 0.00 2.30 2.02 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 89 K 8.60 3.95 0.00 1.78 1.76 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.46 7.81 90 N 8.10 4.50 0.00 2.86 2.92 0.00 0.00 5.93 7.39 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 91 Q 7.96 4.42 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 92 Q 7.51 4.52 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 93 V 8.19 4.20 2.06 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 1.05 0.00 0.00 0.92 0.00 0.00 94 G 9.13 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 95 G 9.31 3.71 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 0.00 0.00 0.00 96 R 8.20 4.46 0.00 1.95 1.95 0.00 3.03 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 97 K 8.46 4.55 0.00 1.88 1.92 0.00 1.72 0.00 0.00 2.08 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.44 7.81 98 V 7.27 4.55 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 0.08 0.00 0.00 0.78 0.00 0.00 99 Y 7.67 4.44 0.00 2.86 3.06 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 0.00 100 E 10.00 4.81 0.00 1.95 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 2.49 2.27 0.00 101 L 8.94 4.87 0.00 1.91 1.93 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.69 4.73 0.00 3.30 3.37 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.90 4.44 1.12 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 0.00 0.00 104 D 8.87 4.21 0.00 2.85 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 0.00 105 K 9.10 4.14 0.00 1.79 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.38 7.81 106 P 0.00 4.43 0.00 2.18 1.91 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 107 I 8.76 3.88 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.00 0.85 0.00 0.00 108 S 8.10 4.07 0.00 3.95 4.03 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 0.00 109 Q 7.90 4.40 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 110 G 8.67 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 0.00 0.00 0.00 111 G 7.86 3.75 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 0.00 0.00 0.00 112 E 8.59 4.19 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 113 V 8.38 3.57 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 0.31 0.00 0.00 0.91 0.00 0.00 114 Y 7.75 3.86 0.00 3.18 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 0.00 115 D 7.67 4.84 0.00 3.00 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 0.00 116 M 8.11 4.31 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.78 0.00 117 D 8.03 4.50 0.00 2.86 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 0.00 118 N 8.21 4.41 0.00 2.98 2.98 0.00 0.00 7.17 7.81 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 0.00 119 I 7.45 4.58 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 1.12 0.00 0.00 120 R 8.96 4.93 0.00 1.81 2.00 0.00 3.31 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 121 V 8.95 4.70 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 0.94 0.00 0.00 1.09 0.00 0.00 122 T 9.43 5.73 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 1.28 0.00 0.00 123 T 8.71 4.48 4.37 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 1.35 0.00 0.00 124 P 0.00 4.14 0.00 2.28 2.16 0.00 3.46 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 125 K 8.13 3.91 0.00 1.86 2.02 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 126 R 7.88 3.89 0.00 2.04 2.06 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 127 H 8.63 3.98 0.00 3.21 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.06 3.79 2.02 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 1.79 1.10 0.92 0.00 0.00 129 D 8.01 4.41 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.92 3.83 1.92 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 1.39 0.57 0.86 0.00 0.00 131 H 7.67 4.21 0.00 3.30 3.44 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.03 3.84 0.00 2.00 1.84 0.00 3.16 0.00 0.00 3.23 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 133 G 7.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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