NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0676 8.5404 119.7245 56.2171 33.3027 171.2113 2 A 3.7057 9.0880 133.8522 50.8180 19.1683 174.5320 3 D 5.1896 8.1361 120.5964 52.5115 46.4206 172.4682 4 T 5.2494 8.4269 111.8566 59.8467 70.8405 174.0242 5 I 4.2800 8.5660 118.9963 60.1348 40.2826 174.2085 6 E 4.8417 8.6558 123.9670 54.6635 30.7630 175.5494 7 V 4.2431 8.2556 127.3009 62.1080 33.6098 174.8344 8 D 4.5678 9.7811 125.9760 55.2804 38.0378 175.2950 9 G 3.9380 9.1520 107.0030 45.2856 0.0000 174.3911 10 K 4.1404 7.8722 120.1381 55.5975 33.8317 176.2393 11 Q 4.4661 8.2552 123.2586 54.9193 29.5401 174.8548 12 F 4.8949 8.4715 123.6659 55.7239 41.4367 175.3587 13 A 4.6467 8.7883 125.5974 51.8019 19.4512 176.5812 14 V 4.9602 8.4479 115.5265 59.3727 35.9439 175.4904 15 D 4.6125 9.3116 123.0613 54.0473 41.8463 177.1750 16 E 4.2224 8.7207 124.5508 58.7020 29.8616 178.2607 17 E 4.1502 8.7391 117.4081 57.7733 29.7874 177.0623 18 G 3.8563 8.8577 107.5976 46.1765 0.0000 173.2845 19 Y 4.4491 7.8963 116.1370 55.0685 40.8877 175.1084 20 L 4.2483 8.8257 127.3901 55.6516 42.4720 176.4747 21 S 4.4833 8.7302 120.7154 60.1331 64.0817 174.4138 22 N 4.7386 7.9008 120.3274 52.8565 36.7622 174.0499 23 L 4.5684 7.9209 126.6233 55.1116 42.4574 177.2623 24 N 4.9116 7.7742 112.9020 53.0195 38.9940 174.7602 25 D 4.4961 7.8791 119.4757 50.3711 47.3800 171.1690 26 W 3.1615 8.5796 135.0000 56.9411 31.0888 173.5600 27 V 4.1350 6.8657 117.7756 58.2049 34.3987 175.0591 28 P 4.0899 0.0000 0.0000 65.8086 30.8268 179.1835 29 G 3.5619 7.7962 103.9663 47.5264 0.0000 175.6678 30 V 3.4322 7.3202 120.1335 65.8969 31.4675 178.0677 31 A 4.0754 7.6150 119.9198 55.0658 18.2017 178.9414 32 D 4.0980 8.3224 116.6732 57.5522 40.9540 178.6952 33 V 3.5553 8.1006 119.1402 66.2697 31.2641 177.9252 34 M 4.1350 7.8594 117.4490 58.0487 32.0912 178.2809 35 A 3.7963 7.8594 121.3793 54.6846 18.3675 179.4266 36 K 3.7994 8.2105 118.5124 59.8282 32.0242 178.7211 37 Q 4.1490 7.7017 115.9132 57.5062 28.7854 176.6815 38 D 4.6211 7.8310 117.2592 52.7383 42.2349 175.1208 39 N 4.1248 7.6734 115.5864 55.0350 37.7925 172.9573 40 L 4.5430 7.8428 117.6074 52.5739 43.7568 174.9324 41 E 4.0697 8.4656 126.8805 55.2148 30.5338 175.4624 42 L 3.9863 8.0777 125.8099 53.3997 42.1357 176.8002 43 T 4.5872 8.0799 115.9516 60.5199 72.4186 174.7885 44 E 4.3485 8.7725 118.8874 59.5290 29.3303 179.3723 45 E 4.0367 7.9226 117.6409 59.6979 29.5413 178.9671 46 H 4.1493 8.0296 115.5965 58.8516 28.8060 177.8354 47 W 4.4493 8.6709 121.0841 59.7422 28.7777 178.1657 48 D 4.5133 8.5288 118.2401 57.4677 40.6326 178.4309 49 I 3.8893 7.8603 119.9013 64.3738 37.1160 178.4296 50 I 3.7727 8.6362 121.0359 64.6227 37.0394 178.0855 51 N 4.4010 8.8974 118.2009 56.3975 38.7223 176.5865 52 F 4.2012 8.5173 122.3023 61.4887 39.4694 177.1351 53 L 3.9031 8.3670 118.7384 57.5811 41.4247 179.4162 54 R 3.6426 8.0161 118.7200 59.3742 29.8780 178.2569 55 E 3.8743 8.5574 119.2755 59.3558 29.6996 177.9039 56 Y 4.0004 8.3747 119.9008 61.0809 38.8279 177.6526 57 Y 4.4524 8.4030 121.9665 60.1027 38.6317 177.4502 58 E 3.8561 7.8809 119.2804 58.7456 29.8054 177.7867 59 E 3.9691 8.1653 118.4862 58.4621 29.2836 177.1707 60 Y 4.0774 8.1850 115.9677 57.4552 38.0594 176.9422 61 Q 3.2173 7.5340 116.5746 56.0677 26.6158 172.8515 62 I 4.4495 7.1742 119.1985 59.3828 39.4976 174.6081 63 A 4.7968 8.6231 127.9528 49.8030 19.3059 174.9866 64 P 4.1354 0.0000 0.0000 62.7531 31.7114 177.4786 65 A 4.3092 8.3600 125.8497 51.1506 20.6125 177.9805 66 V 3.6041 8.1831 119.8423 65.3437 30.5992 178.7653 67 R 3.9380 7.9343 118.1227 58.4939 29.8370 178.8552 68 V 3.6895 7.4433 117.5619 65.3173 31.8692 177.3676 69 L 3.8781 8.3168 120.3872 58.8001 41.3568 179.0899 70 T 3.9532 7.6379 115.4057 66.5154 68.1333 176.8423 71 K 3.9549 7.4565 116.8328 59.2823 32.1412 179.2227 72 A 4.0092 8.1413 121.2814 55.3551 18.3527 179.9431 73 V 3.1987 8.0716 117.1873 65.6882 31.0760 178.3764 74 G 3.5983 7.9586 105.2578 47.6814 0.0000 175.5267 75 K 3.9836 7.5089 119.6671 58.4798 32.3512 179.2001 76 K 4.0687 8.0166 119.4897 59.4904 32.3019 177.9168 77 L 4.1954 8.0696 120.4140 57.8367 43.1557 176.5695 78 G 3.7585 7.0024 110.0723 45.5370 0.0000 174.1171 79 K 4.2342 8.8614 123.5000 58.0748 32.2920 179.0016 80 E 4.6835 7.4880 116.4915 55.2886 29.4841 176.6103 81 K 3.4684 8.1967 121.8748 59.4857 32.6281 177.7151 82 G 3.9794 7.0723 107.5449 44.2343 0.0000 172.5478 83 N 5.1071 7.9016 121.4839 51.3260 43.1012 174.9161 84 S 4.2793 8.6186 120.1347 61.9334 63.1133 177.1174 85 K 4.0442 8.1295 121.6922 59.5760 32.0828 177.9696 86 Y 4.1469 8.1036 119.4147 60.7844 38.7681 177.9543 87 L 4.0111 8.2230 119.9080 58.0635 41.8644 179.0613 88 Y 4.3064 8.2679 116.0866 60.5448 37.5855 178.0131 89 S 4.3843 7.9004 115.2529 60.3163 63.0716 176.0063 90 L 4.1431 7.1297 120.6270 55.4456 42.6625 177.0232 91 F 4.8004 8.0878 121.1661 54.9578 39.2476 174.0035 92 P 4.7840 0.0000 0.0000 63.3027 31.4864 176.7628 93 Y 4.1283 9.2414 118.3954 57.3489 39.6454 172.9094 94 G 2.8613 7.8346 105.9114 43.7620 0.0000 171.9145 95 P 3.9597 0.0000 0.0000 66.7875 30.8543 177.8839 96 A 3.7684 7.5343 119.5880 53.9431 18.6886 179.4695 97 K 3.8707 7.7329 117.7582 59.5574 32.4225 178.7697 98 Q 3.4868 8.4296 120.0319 58.5451 28.8449 177.8571 99 A 3.4149 7.1414 122.0473 55.0775 18.3792 179.4406 100 C 3.9362 7.8011 113.0060 61.1447 29.1970 175.7923 101 R 3.3384 7.4171 120.7803 59.4314 29.2703 178.5323 102 F 4.5923 7.1754 114.8980 60.1239 39.0615 177.2094 103 A 4.1548 8.0685 119.1798 52.7864 18.1621 178.1462 104 G 3.8720 7.6957 104.8197 45.7229 0.0000 173.4718 105 L 4.2527 7.7719 119.1740 51.9341 43.0004 174.9858 106 P 4.2775 0.0000 0.0000 61.6738 32.0574 175.7729 107 K 3.3054 7.9001 119.9857 56.0455 31.7866 174.3246 108 P 4.6413 0.0000 0.0000 61.9381 31.7195 174.6653 109 T 4.1762 8.4321 118.3722 64.2039 70.8890 175.4285 110 G 3.7434 8.0532 106.5804 44.9216 0.0000 172.7462 111 C 4.4240 8.2766 116.7389 58.2903 27.0711 174.5014 112 V 4.0075 7.9933 122.9667 61.4977 31.1090 176.0621 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.54 5.07 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 A 9.09 3.71 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 D 8.14 5.19 0.00 2.84 2.50 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 0.00 0.00 0.00 0.00 4 T 8.43 5.25 4.26 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 1.23 0.00 0.00 5 I 8.57 4.28 1.94 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 1.45 1.02 0.96 0.00 0.00 6 E 8.66 4.84 0.00 1.99 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 2.20 2.22 0.00 7 V 8.26 4.24 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.01 0.00 0.00 8 D 9.78 4.57 0.00 2.94 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 9 G 9.15 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 10 K 7.87 4.14 0.00 1.34 1.03 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.42 7.81 11 Q 8.26 4.47 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 12 F 8.47 4.89 0.00 2.99 2.95 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 0.00 0.00 0.00 13 A 8.79 4.65 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 14 V 8.45 4.96 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 1.01 0.00 0.00 1.04 0.00 0.00 15 D 9.31 4.61 0.00 2.70 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 16 E 8.72 4.22 0.00 2.15 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 2.40 2.36 0.00 17 E 8.74 4.15 0.00 2.24 2.23 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 2.40 2.50 0.00 18 G 8.86 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 19 Y 7.90 4.45 0.00 2.99 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 20 L 8.83 4.25 0.00 1.70 1.86 1.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.73 4.48 0.00 4.06 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 22 N 7.90 4.74 0.00 2.85 2.97 0.00 0.00 7.33 7.93 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 23 L 7.92 4.57 0.00 1.75 1.75 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.77 4.91 0.00 3.06 2.90 0.00 0.00 6.62 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 25 D 7.88 4.50 0.00 2.74 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 26 W 8.58 3.16 0.00 3.41 3.25 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 27 V 6.87 4.14 1.86 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 0.95 0.00 0.00 0.68 0.00 0.00 28 P 0.00 4.09 0.00 1.85 1.43 0.00 3.34 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 29 G 7.80 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 0.00 0.00 0.00 30 V 7.32 3.43 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 0.95 0.00 0.00 0.24 0.00 0.00 31 A 7.61 4.08 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 32 D 8.32 4.10 0.00 3.06 2.84 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 0.00 0.00 0.00 33 V 8.10 3.56 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 0.98 0.00 0.00 1.06 0.00 0.00 34 M 7.86 4.13 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.58 0.00 35 A 7.86 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.21 3.80 0.00 1.86 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 37 Q 7.70 4.15 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 38 D 7.83 4.62 0.00 2.67 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 39 N 7.67 4.12 0.00 2.85 2.87 0.00 0.00 6.91 9.06 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 40 L 7.84 4.54 0.00 1.85 1.55 1.26 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.47 4.07 0.00 1.87 1.72 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 2.23 2.33 0.00 42 L 8.08 3.99 0.00 1.36 0.62 -0.03 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.08 4.59 4.35 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 1.24 0.00 0.00 44 E 8.77 4.35 0.00 2.12 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 2.48 2.49 0.00 45 E 7.92 4.04 0.00 1.97 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 2.41 2.50 0.00 46 H 8.03 4.15 0.00 3.22 3.19 0.00 5.82 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 47 W 8.67 4.45 0.00 3.46 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.53 4.51 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.86 3.89 2.25 0.00 0.00 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 1.59 0.86 1.04 0.00 0.00 50 I 8.64 3.77 2.11 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 1.21 0.00 0.00 51 N 8.90 4.40 0.00 3.18 3.08 0.00 0.00 7.08 7.60 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 52 F 8.52 4.20 0.00 3.39 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.37 3.90 0.00 1.82 1.65 0.81 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.02 3.64 0.00 1.48 1.93 0.00 2.78 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.47 0.00 55 E 8.56 3.87 0.00 2.12 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 0.00 2.30 2.32 0.00 56 Y 8.37 4.00 0.00 2.46 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 57 Y 8.40 4.45 0.00 3.14 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 58 E 7.88 3.86 0.00 2.15 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 0.00 2.27 2.28 0.00 59 E 8.17 3.97 0.00 1.76 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 1.59 2.01 0.00 60 Y 8.19 4.08 0.00 2.58 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 61 Q 7.53 3.22 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 62 I 7.17 4.45 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.43 1.05 0.00 0.00 63 A 8.62 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.14 0.00 1.90 1.72 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.07 0.00 65 A 8.36 4.31 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 66 V 8.18 3.60 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 1.05 0.00 0.00 0.92 0.00 0.00 67 R 7.93 3.94 0.00 1.84 2.02 0.00 3.28 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 68 V 7.44 3.69 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 1.01 0.00 0.00 0.92 0.00 0.00 69 L 8.32 3.88 0.00 1.77 1.62 0.96 0.82 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 70 T 7.64 3.95 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 1.27 0.00 0.00 71 K 7.46 3.95 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 72 A 8.14 4.01 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 73 V 8.07 3.20 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 0.93 0.00 0.00 0.71 0.00 0.00 74 G 7.96 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 75 K 7.51 3.98 0.00 1.71 1.88 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.59 7.81 76 K 8.02 4.07 0.00 1.66 1.57 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.28 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.28 1.44 7.81 77 L 8.07 4.20 0.00 1.53 1.72 1.00 1.01 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 78 G 7.00 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 79 K 8.86 4.23 0.00 1.70 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 80 E 7.49 4.68 0.00 2.09 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 0.00 2.21 2.23 0.00 81 K 8.20 3.47 0.00 1.54 1.68 0.00 1.22 0.00 0.00 1.46 0.00 0.00 2.62 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.08 0.55 7.81 82 G 7.07 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 83 N 7.90 5.11 0.00 2.81 2.77 0.00 0.00 6.95 7.58 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 84 S 8.62 4.28 0.00 3.92 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 85 K 8.13 4.04 0.00 1.90 1.88 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.62 7.81 86 Y 8.10 4.15 0.00 3.08 3.20 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 87 L 8.22 4.01 0.00 1.99 1.69 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.27 4.31 0.00 3.23 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 89 S 7.90 4.38 0.00 3.88 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 90 L 7.13 4.14 0.00 1.20 0.62 0.34 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.09 4.80 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 92 P 0.00 4.78 0.00 2.15 2.17 0.00 3.84 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 2.08 2.06 0.00 93 Y 9.24 4.13 0.00 2.91 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 94 G 7.83 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 0.00 0.00 0.00 95 P 0.00 3.96 0.00 2.12 2.15 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.38 0.00 96 A 7.53 3.77 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 97 K 7.73 3.87 0.00 1.79 1.89 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.58 7.81 98 Q 8.43 3.49 0.00 2.15 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.63 2.18 0.00 99 A 7.14 3.41 0.82 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 0.00 0.00 100 C 7.80 3.94 0.00 3.10 3.10 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 0.00 101 R 7.42 3.34 0.00 1.15 1.30 0.00 2.44 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.17 0.00 102 F 7.18 4.59 0.00 3.14 2.90 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 0.00 103 A 8.07 4.15 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 0.00 104 G 7.70 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 0.00 105 L 7.77 4.25 0.00 1.53 1.22 0.79 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.28 0.00 2.04 1.98 0.00 3.27 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 107 K 7.90 3.31 0.00 1.08 1.50 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.18 7.81 108 P 0.00 4.64 0.00 2.16 1.99 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 109 T 8.43 4.18 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 1.18 0.00 0.00 110 G 8.05 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 0.00 111 C 8.28 4.42 0.00 2.97 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 0.00 112 V 7.99 4.01 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 0.80 0.00 0.00 0.93 0.00 0.00