NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4338 8.1776 115.2866 57.8319 63.3177 174.2884 3 V 3.3121 8.0969 129.1111 64.5047 30.5968 176.7392 4 Y 4.0111 8.0372 118.3333 61.1866 38.0725 179.1286 5 D 4.3952 7.6445 117.6179 56.9792 41.0502 178.5441 6 A 4.0608 7.8692 121.2782 55.1641 18.3762 179.6009 7 A 3.8927 8.1686 118.8275 54.6966 18.1615 179.0797 8 A 4.1594 7.3703 117.5671 54.0031 18.6745 178.9186 9 Q 4.3238 8.0550 115.9375 56.5552 29.7003 176.7740 10 L 4.1767 7.2886 120.5526 54.0478 40.2111 177.2526 11 T 4.2860 7.8493 115.0987 60.1780 71.8099 175.0635 12 A 3.9593 8.4465 122.0261 55.6277 18.2022 179.5590 13 D 4.2825 7.9561 116.6478 57.4673 41.0074 179.0021 14 V 3.5553 7.2931 118.4349 65.9044 31.4450 178.1714 15 K 3.8779 8.1541 118.3348 59.3557 31.8276 179.2646 16 K 3.9945 7.9619 119.4223 59.6006 32.1133 178.7100 17 D 4.7020 8.2906 119.3019 57.1611 40.6936 178.7154 18 L 3.7066 8.2425 120.0360 57.7506 41.7372 179.7677 19 R 4.0131 8.2748 118.1999 59.5209 29.2990 178.9011 20 D 4.5086 8.6603 119.3433 57.4647 40.8309 179.0725 21 S 3.3124 8.3026 114.8291 60.7131 63.0969 176.3396 22 W 4.3303 8.5276 131.9983 59.9296 30.1949 177.8176 23 K 3.8981 7.8456 118.8945 59.0611 31.6733 178.6129 24 V 3.7259 7.0263 115.3658 65.6708 31.6936 178.1840 25 I 3.6043 7.3540 112.9782 63.6018 37.2159 177.7664 26 G 2.2868 7.0666 105.8265 45.3592 0.0000 175.3087 27 S 4.2875 7.1856 116.0556 59.7837 64.0838 173.8212 28 D 4.5978 7.2845 120.2411 51.0043 41.3586 175.4626 29 K 3.8374 8.0647 124.1007 58.5115 32.2792 178.4688 30 K 4.0394 7.9506 119.7264 59.2879 32.3153 179.0798 31 G 3.6701 8.3879 107.4542 47.6008 0.0000 175.5865 32 N 4.4453 8.2729 119.8306 55.3434 38.5579 177.9371 33 G 3.5491 8.0593 107.3657 47.8330 0.0000 175.9809 34 V 3.5750 7.7686 120.9917 65.5113 31.6737 177.8728 35 A 3.9074 8.0016 120.5260 55.0640 18.2741 179.6589 36 L 3.6882 8.0195 117.5890 58.1507 41.7194 179.7110 37 M 3.6675 7.8152 118.6683 58.4116 31.9014 179.0022 38 T 3.9801 8.0018 110.1568 65.0655 68.8236 176.8055 39 T 3.8254 7.6392 118.3273 66.0550 68.3940 176.4732 40 L 3.7505 7.2891 121.9794 58.2303 41.9407 179.1787 41 F 4.5925 7.7501 117.3379 60.2649 38.5490 177.6284 42 A 4.1697 7.9044 120.0783 54.8630 18.4167 178.7753 43 D 4.6634 8.1903 115.8398 55.1439 42.8716 176.9158 44 N 5.2098 8.1287 115.7759 49.0104 39.4945 174.4880 45 Q 4.3107 8.5034 123.4905 58.3181 29.3311 177.2922 46 E 4.0710 8.3418 118.4051 59.4828 29.4047 179.0041 47 T 4.2702 8.3664 110.6217 64.4466 68.8909 176.4112 48 I 3.7350 7.9768 122.9997 64.6605 36.8409 178.1414 49 G 3.5909 7.5218 104.9753 48.0398 0.0000 174.9711 50 Y 4.3199 8.1750 117.8862 59.6291 38.0389 176.3975 51 F 4.8969 8.2730 119.0087 56.7935 39.7558 177.8976 52 K 3.8505 8.3360 123.2641 59.6865 32.0043 179.3282 53 R 3.9184 7.9622 117.5826 59.0119 30.1197 176.8853 54 L 4.2885 8.1671 115.7851 54.5358 42.3674 179.0733 55 G 3.6674 7.5633 107.3748 46.1871 0.0000 175.2672 56 N 4.5008 8.4281 120.2617 52.9972 39.0190 176.3969 57 V 3.8800 8.0034 121.6462 62.7945 31.6624 177.7761 58 S 4.3398 7.9601 113.5551 60.4738 63.1920 175.6268 59 Q 4.1700 8.1103 121.4519 56.0208 28.8435 177.2564 60 G 3.8294 8.5119 109.9668 46.2126 0.0000 176.0343 61 M 3.8522 9.0743 121.4918 58.5061 31.8122 176.8947 62 A 4.0377 7.6835 119.3594 53.3146 18.7945 177.1879 63 N 4.6723 8.2688 115.9030 52.0118 39.3858 174.6903 64 D 4.4220 8.6721 129.0308 57.6840 41.0357 179.1105 65 K 4.0735 8.1336 118.1422 59.4446 32.0192 179.0497 66 L 4.0921 8.5147 120.7368 58.0004 42.0044 179.0018 67 R 4.0185 8.5944 119.4876 59.2298 30.0997 178.7575 68 G 3.6409 8.7118 106.0477 48.0591 0.0000 175.2205 69 H 4.2705 8.5022 120.8559 59.0247 29.7699 177.5685 70 S 4.0912 8.4372 117.2042 61.7105 62.4825 176.7714 71 I 3.7552 7.5814 121.0901 64.8307 37.0451 178.4267 72 T 4.2230 7.9319 116.0618 66.4332 68.3237 176.4948 73 L 3.9671 7.8796 122.5388 58.4525 42.1183 178.9961 74 M 4.2427 7.9284 118.3906 58.2621 31.8182 177.9232 75 Y 4.1778 7.7729 116.0874 59.8328 38.1220 177.6131 76 A 3.6844 7.6514 122.0648 54.7542 18.5218 179.6286 77 L 3.5654 7.4153 117.0369 57.5095 41.7043 179.2600 78 Q 3.2896 7.5430 119.6330 58.7872 28.7727 177.6385 79 N 4.1606 7.4116 116.8473 56.7953 39.2548 176.2569 80 F 4.5373 7.3082 118.8251 60.8558 38.9193 177.6447 81 I 3.4661 7.3977 119.0452 64.5988 36.6779 178.2092 82 D 4.4762 7.9735 117.5455 56.3232 40.9568 177.6522 83 Q 4.4352 7.7715 117.5103 55.8147 28.9686 177.1983 84 L 3.9987 7.4810 120.7874 57.7459 41.6232 178.1966 85 D 4.3512 8.0561 117.8918 56.1816 41.1698 175.3381 86 N 4.8135 7.9056 118.1976 50.2671 39.3569 172.3063 87 P 4.2138 0.0000 0.0000 66.2510 30.8634 177.9164 88 D 4.4223 8.2972 118.1030 57.0833 40.6691 178.3059 89 D 4.4189 8.4165 119.6199 56.6811 40.8799 178.4503 90 L 3.9083 7.8159 120.4759 58.0970 42.0578 178.9249 91 V 3.4510 7.8236 118.2705 66.2380 31.4859 177.7281 92 C 4.1359 7.8619 114.0587 61.5351 29.3464 176.2317 93 V 3.7908 7.9859 114.8394 63.9444 31.0851 178.7364 94 V 3.7109 8.0836 118.6271 66.0393 31.1619 178.0099 95 E 3.9848 8.5280 118.6795 58.8897 29.0369 179.1720 96 K 3.9819 7.9369 119.2339 59.4062 32.3486 178.3456 97 F 4.4135 8.5538 120.6862 61.4088 39.3596 176.7697 98 A 3.6549 8.4043 120.7784 55.0833 18.0015 179.2156 99 V 3.4131 7.3742 116.4550 66.6531 31.2415 177.6598 100 N 4.1645 7.3580 114.9583 57.1378 38.8954 176.8701 101 H 4.1740 7.8882 116.5401 58.5545 28.8551 177.8060 102 I 3.6963 7.9803 122.5666 64.3986 36.7832 178.0707 103 T 4.1356 7.9188 108.0944 63.1915 68.7299 175.5542 104 R 4.3941 7.3501 119.7607 54.9994 30.6031 175.8244 105 K 3.8253 7.7982 116.9042 57.4472 30.0202 175.5845 106 I 3.9714 7.6829 120.0709 60.2331 37.6720 176.9711 107 S 4.5190 8.4076 121.0267 57.3913 65.7197 174.7303 108 A 4.0545 8.4288 122.3137 54.9857 17.7763 179.6394 109 A 4.0251 7.9309 118.4962 55.2467 19.0066 179.1093 110 E 4.1642 8.1606 116.7362 59.7196 29.6132 179.4037 111 F 4.0671 8.4416 120.7054 61.2232 39.4748 177.3043 112 G 3.8681 8.3168 105.1797 47.5136 0.0000 175.4803 113 K 4.2074 8.0398 119.9848 58.6764 32.1513 178.4574 114 F 4.1644 8.4370 120.7713 60.1138 39.2868 176.6899 115 N 4.5634 8.3487 116.5802 56.4236 38.2643 177.2950 116 G 3.4795 7.7009 105.8455 47.4612 0.0000 173.8834 117 P 4.0531 0.0000 0.0000 64.9289 31.2058 178.8665 118 I 3.4245 7.2603 118.0488 64.1040 36.9546 178.3175 119 K 3.9384 7.9179 120.4685 59.3570 31.9974 179.0247 120 K 3.8919 8.0241 118.6487 59.4842 31.8174 179.4140 121 V 3.4973 7.4366 116.9864 65.9411 31.6710 177.6916 122 L 4.0302 7.8281 118.2993 57.8791 41.5190 179.2398 123 A 4.3020 8.2390 121.0325 55.2851 18.0632 179.3687 124 S 4.3240 8.0464 110.6091 59.9519 63.2972 175.5513 125 K 4.4339 8.2007 121.2021 55.6331 32.4041 175.5825 126 N 4.2938 7.9937 116.6589 54.1634 37.6817 173.3778 127 F 4.5480 8.2018 114.9810 55.1335 40.7729 177.1225 128 G 4.0694 8.6560 115.3049 44.5456 0.0000 172.6952 129 D 4.4856 8.8319 118.7464 57.3056 40.7179 178.2547 130 K 3.8041 8.1321 119.7041 59.9662 32.0859 178.2445 131 Y 4.2499 7.9791 116.0346 60.9166 38.1352 177.6489 132 A 4.2167 8.1584 121.4920 55.4813 18.2843 179.4500 133 N 4.4715 8.6215 113.9968 55.8076 38.9673 177.4772 134 A 4.1234 7.7654 122.7774 55.1238 18.4989 179.7828 135 W 3.9677 8.5728 117.2103 59.7067 29.0659 178.6427 136 A 4.1547 8.1490 120.5853 54.9303 17.5070 179.8951 137 K 3.9225 7.7015 116.3553 59.4543 32.3844 179.0157 138 L 3.9322 7.7443 120.0933 58.1720 42.0667 178.8503 139 V 3.7180 8.2846 118.3374 66.1693 31.5399 177.7926 140 A 4.3018 8.1225 121.7040 54.4168 17.8819 179.8385 141 V 3.4128 7.5155 116.5246 66.0616 31.8182 178.1657 142 V 3.5167 7.4670 117.5388 65.9891 31.0497 177.8022 143 Q 3.7959 8.2029 117.6956 58.7525 28.3108 178.3453 144 A 4.0995 7.6290 119.3812 53.3635 18.5540 178.1341 145 A 4.4428 7.5509 117.4870 51.5960 19.9328 176.5430 146 L 4.0515 7.3559 122.3972 54.7740 41.8149 176.6203 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 S 8.18 4.43 0.00 3.93 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 3 V 8.10 3.31 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 -0.15 0.00 0.00 0.68 0.00 0.00 4 Y 8.04 4.01 0.00 3.04 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 5 D 7.64 4.40 0.00 2.92 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 6 A 7.87 4.06 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 7 A 8.17 3.89 1.28 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 8 A 7.37 4.16 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 9 Q 8.05 4.32 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.19 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 10 L 7.29 4.18 0.00 1.61 1.56 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.85 4.29 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 1.19 0.00 0.00 12 A 8.45 3.96 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 13 D 7.96 4.28 0.00 2.68 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 14 V 7.29 3.56 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 0.93 0.00 0.00 0.89 0.00 0.00 15 K 8.15 3.88 0.00 1.94 1.79 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.69 7.81 16 K 7.96 3.99 0.00 1.99 1.94 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.52 7.81 17 D 8.29 4.70 0.00 2.90 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 18 L 8.24 3.71 0.00 1.67 1.30 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.27 4.01 0.00 2.04 2.05 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 20 D 8.66 4.51 0.00 2.95 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 21 S 8.30 3.31 0.00 3.56 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 22 W 8.53 4.33 0.00 3.84 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 23 K 7.85 3.90 0.00 1.88 2.02 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 24 V 7.03 3.73 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 1.03 0.00 0.00 1.07 0.00 0.00 25 I 7.35 3.60 1.56 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 1.45 0.08 0.60 0.00 0.00 26 G 7.07 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.19 4.29 0.00 3.87 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 28 D 7.28 4.60 0.00 2.66 2.40 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 29 K 8.06 3.84 0.00 1.70 1.65 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.36 7.81 30 K 7.95 4.04 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.39 3.67 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 0.00 0.00 0.00 32 N 8.27 4.45 0.00 2.70 2.72 0.00 0.00 6.99 7.20 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 33 G 8.06 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.77 3.58 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 1.08 0.00 0.00 1.01 0.00 0.00 35 A 8.00 3.91 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 36 L 8.02 3.69 0.00 1.87 1.63 0.96 0.76 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 37 M 7.82 3.67 0.00 1.69 1.99 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.82 0.00 38 T 8.00 3.98 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 1.31 0.00 0.00 39 T 7.64 3.83 4.15 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 0.00 0.00 1.08 0.00 0.00 40 L 7.29 3.75 0.00 1.43 1.30 0.96 0.79 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 41 F 7.75 4.59 0.00 3.23 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 42 A 7.90 4.17 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 43 D 8.19 4.66 0.00 2.69 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 44 N 8.13 5.21 0.00 3.00 2.98 0.00 0.00 6.74 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 45 Q 8.50 4.31 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 46 E 8.34 4.07 0.00 2.23 2.24 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 2.49 2.40 0.00 47 T 8.37 4.27 4.77 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 1.49 0.00 0.00 48 I 7.98 3.74 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.74 0.66 0.00 0.00 49 G 7.52 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.17 4.32 0.00 2.92 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.90 0.00 3.15 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 52 K 8.34 3.85 0.00 1.81 1.88 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.66 7.81 53 R 7.96 3.92 0.00 1.79 2.01 0.00 3.26 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 54 L 8.17 4.29 0.00 1.74 1.76 1.06 0.88 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 55 G 7.56 3.67 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 0.00 0.00 0.00 56 N 8.43 4.50 0.00 2.83 2.73 0.00 0.00 6.96 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 57 V 8.00 3.88 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 0.64 0.00 0.00 0.31 0.00 0.00 58 S 7.96 4.34 0.00 4.05 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 59 Q 8.11 4.17 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 60 G 8.51 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 M 9.07 3.85 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 62 A 7.68 4.04 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 63 N 8.27 4.67 0.00 2.76 2.87 0.00 0.00 7.06 8.71 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 64 D 8.67 4.42 0.00 2.74 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 65 K 8.13 4.07 0.00 2.01 1.92 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.53 7.81 66 L 8.51 4.09 0.00 1.83 1.88 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.59 4.02 0.00 2.04 2.07 0.00 3.16 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.71 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 0.00 0.00 0.00 69 H 8.50 4.27 0.00 3.40 3.65 0.00 5.79 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 70 S 8.44 4.09 0.00 4.05 3.97 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 71 I 7.58 3.76 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 1.13 0.00 0.00 72 T 7.93 4.22 4.43 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 0.00 0.00 1.28 0.00 0.00 73 L 7.88 3.97 0.00 1.76 1.89 0.90 1.06 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 74 M 7.93 4.24 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.90 0.00 75 Y 7.77 4.18 0.00 3.14 2.99 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 76 A 7.65 3.68 0.95 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 0.00 0.00 77 L 7.42 3.57 0.00 1.68 1.39 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.54 3.29 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 79 N 7.41 4.16 0.00 2.72 2.57 0.00 0.00 7.29 7.18 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 80 F 7.31 4.54 0.00 3.01 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 81 I 7.40 3.47 1.51 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.24 0.77 0.00 0.00 82 D 7.97 4.48 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 83 Q 7.77 4.44 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 84 L 7.48 4.00 0.00 1.51 1.67 0.77 1.31 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 85 D 8.06 4.35 0.00 2.66 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 86 N 7.91 4.81 0.00 2.68 2.74 0.00 0.00 6.88 8.08 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 87 P 0.00 4.21 0.00 2.31 2.31 0.00 3.80 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 2.08 2.08 0.00 88 D 8.30 4.42 0.00 2.95 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 89 D 8.42 4.42 0.00 2.84 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 90 L 7.82 3.91 0.00 1.87 1.78 0.79 0.75 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 91 V 7.82 3.45 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 1.01 0.00 0.00 0.90 0.00 0.00 92 C 7.86 4.14 0.00 3.17 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 93 V 7.99 3.79 2.22 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 0.84 0.00 0.00 1.15 0.00 0.00 94 V 8.08 3.71 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 0.94 0.00 0.00 0.47 0.00 0.00 95 E 8.53 3.98 0.00 2.03 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 2.22 2.35 0.00 96 K 7.94 3.98 0.00 1.86 2.18 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.59 7.81 97 F 8.55 4.41 0.00 3.36 3.50 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 98 A 8.40 3.65 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 99 V 7.37 3.41 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 1.07 0.00 0.00 0.95 0.00 0.00 100 N 7.36 4.16 0.00 2.53 2.80 0.00 0.00 7.21 8.04 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 0.00 101 H 7.89 4.17 0.00 3.13 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.98 3.70 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.87 0.00 0.00 103 T 7.92 4.14 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 0.00 104 R 7.35 4.39 0.00 1.85 1.87 0.00 3.08 0.00 0.00 3.08 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 105 K 7.80 3.83 0.00 2.00 1.97 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.57 7.81 106 I 7.68 3.97 1.94 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 0.94 0.00 0.00 107 S 8.41 4.52 0.00 4.08 4.05 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 0.00 108 A 8.43 4.05 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 0.00 109 A 7.93 4.03 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 0.00 110 E 8.16 4.16 0.00 2.30 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 0.00 2.43 2.55 0.00 111 F 8.44 4.07 0.00 3.36 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 0.00 112 G 8.32 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 0.00 113 K 8.04 4.21 0.00 2.08 1.94 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.78 7.81 114 F 8.44 4.16 0.00 3.03 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 0.00 115 N 8.35 4.56 0.00 3.06 2.91 0.00 0.00 6.72 6.95 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 0.00 116 G 7.70 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 0.00 0.00 0.00 117 P 0.00 4.05 0.00 1.23 1.78 0.00 3.40 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 118 I 7.26 3.42 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 0.67 0.00 0.00 119 K 7.92 3.94 0.00 1.93 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.52 7.81 120 K 8.02 3.89 0.00 1.88 1.76 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.54 7.81 121 V 7.44 3.50 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 0.67 0.00 0.00 0.79 0.00 0.00 122 L 7.83 4.03 0.00 1.93 1.90 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.24 4.30 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 0.00 124 S 8.05 4.32 0.00 4.03 3.97 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 0.00 125 K 8.20 4.43 0.00 2.02 2.05 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.49 7.81 126 N 7.99 4.29 0.00 2.81 2.73 0.00 0.00 6.99 7.19 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 0.00 127 F 8.20 4.55 0.00 3.09 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 0.00 128 G 8.66 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.83 4.49 0.00 2.81 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 0.00 130 K 8.13 3.80 0.00 1.70 1.50 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.46 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.14 1.39 7.81 131 Y 7.98 4.25 0.00 3.46 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 0.00 132 A 8.16 4.22 1.48 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 0.00 0.00 133 N 8.62 4.47 0.00 2.91 2.92 0.00 0.00 7.03 6.91 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 0.00 134 A 7.77 4.12 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 0.00 135 W 8.57 3.97 0.00 3.64 3.41 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 0.00 136 A 8.15 4.15 1.48 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 0.00 0.00 137 K 7.70 3.92 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.84 1.56 7.81 138 L 7.74 3.93 0.00 1.50 1.78 0.62 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.28 3.72 2.40 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 1.34 0.00 0.00 1.27 0.00 0.00 140 A 8.12 4.30 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 0.00 141 V 7.52 3.41 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 0.61 0.00 0.00 0.85 0.00 0.00 142 V 7.47 3.52 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 0.51 0.00 0.00 0.76 0.00 0.00 143 Q 8.20 3.80 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 144 A 7.63 4.10 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 0.00 145 A 7.55 4.44 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.36 4.05 0.00 1.54 1.49 0.58 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00