NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4158 8.4293 121.4665 56.3415 30.9215 175.5097 2 T 4.3725 8.3528 116.7046 58.7585 72.4868 170.3041 3 V 3.5526 8.3576 120.4902 66.3291 31.7358 178.6722 4 Q 4.0037 8.1901 118.5342 59.4934 28.6021 178.0515 5 D 4.3794 7.6614 117.9219 57.6572 41.1087 177.8571 6 C 4.4699 8.2746 116.8309 60.1778 37.8530 176.1008 7 E 3.9488 8.6534 120.4788 59.5490 28.8549 179.1250 8 N 4.3861 8.4827 115.7695 55.4543 38.6491 176.2111 9 K 4.3340 7.3749 118.1686 55.2423 33.0695 176.3759 10 L 4.0731 7.2465 119.4668 54.9361 42.3514 174.9780 11 P 4.7359 0.0000 0.0000 61.3762 32.9688 175.0023 12 P 4.6412 0.0000 0.0000 64.5868 31.2354 178.7766 13 S 4.2961 8.0681 112.1305 60.5061 63.2872 175.2684 14 L 4.3857 8.3268 122.4025 55.7813 41.9474 178.1922 15 K 4.1149 7.8267 118.3811 58.3857 32.4529 178.0986 16 S 4.3788 7.6368 111.6313 59.8336 63.2901 174.8361 17 R 4.5513 7.3813 121.1178 55.9328 30.7023 177.2236 18 L 3.8846 8.2008 122.4224 58.9801 41.5204 179.8415 19 C 4.3039 8.0443 114.1968 59.8475 35.7309 175.1131 20 E 4.1701 8.2761 119.7264 59.8378 29.0795 179.0882 21 I 3.7101 7.6839 119.1199 64.8333 37.1705 178.1804 22 R 4.0495 7.8929 114.9923 57.2007 30.1670 177.8544 23 R 4.3649 7.4938 117.1499 55.6443 30.3778 176.0804 24 Y 3.7345 7.2677 114.6367 58.6268 35.9036 169.5018 25 E 4.2043 8.0628 118.9017 56.2500 30.2013 176.4642 26 I 4.2980 8.2506 123.6458 60.6143 37.9638 175.4192 27 I 4.5300 8.3707 125.8055 59.5092 39.7031 175.4539 28 E 4.3738 8.6988 124.7830 55.3531 31.1120 175.8403 29 G 4.0166 8.7548 105.5830 45.0439 0.0000 172.2751 30 P 4.9001 0.0000 0.0000 63.1245 31.8460 177.9221 31 E 3.8384 8.0114 118.9121 59.9199 29.5018 178.8354 32 M 4.1000 7.9934 118.1947 58.3764 31.8375 178.3405 33 D 4.3896 8.1939 119.0696 56.4549 41.0328 177.9033 34 K 4.4141 7.5163 118.5929 57.2715 33.0820 177.7095 35 H 4.1582 8.0437 118.7621 59.5783 29.8447 177.3851 36 I 3.5356 7.8150 121.4438 64.1453 36.7870 178.1383 37 H 4.1127 7.8987 118.1349 59.2705 29.7566 176.1082 38 C 4.1095 7.9911 119.9127 60.1573 44.4050 176.2398 39 V 3.5250 8.0186 113.8893 64.6316 31.1362 178.5031 40 M 4.1891 8.2815 118.5066 58.4461 31.7270 179.1615 41 R 3.8336 8.0670 118.1003 59.0615 30.0684 178.6017 42 A 4.0309 7.7819 119.4774 54.9463 18.4272 178.8230 43 L 3.8008 7.5891 114.2393 53.7015 42.2256 176.0146 44 D 4.2801 7.4605 117.3656 55.4950 39.8702 174.2557 45 F 5.1161 8.3345 117.6311 57.7062 40.3000 176.5500 46 V 4.7963 7.3901 111.8431 59.1369 35.0170 174.6956 47 Y 4.3569 8.7534 120.4792 57.5259 38.6961 177.2512 48 E 4.0658 8.9734 120.0901 59.8713 29.4541 178.4973 49 D 4.4668 8.0733 115.4482 54.4612 39.8938 176.7787 50 G 4.1038 8.5901 109.6365 45.3067 0.0000 172.5755 51 R 4.3767 8.0848 120.4059 54.6608 31.5162 176.0436 52 G 2.3890 8.0064 112.6372 46.6718 0.0000 172.3119 53 D 4.7950 8.8360 124.8358 52.7357 41.6413 176.0163 54 Y 4.0831 8.9800 128.3483 61.2088 38.7145 178.2509 55 H 4.6607 8.3537 113.9620 57.6397 29.0790 177.1773 56 K 4.3136 8.0668 118.1869 57.9176 32.1536 177.9408 57 L 4.5381 7.5870 118.1379 55.4765 43.5459 177.6738 58 Y 3.7885 7.9329 119.6042 60.7809 38.6612 178.1160 59 D 4.2059 8.1563 118.9252 57.0041 40.9505 176.5824 60 P 4.2213 0.0000 0.0000 65.7606 31.2081 178.5975 61 L 3.8550 7.9627 117.6212 57.9325 41.3013 179.4171 62 N 4.4202 7.5774 114.8631 55.8959 38.4508 177.2830 63 I 3.8083 7.7898 121.3195 64.3489 37.2373 178.1962 64 I 4.1686 7.0851 118.0232 62.7611 37.5231 176.1438 65 E 4.3150 8.0907 121.9607 53.7181 30.3910 173.7436 66 L 4.1793 8.3369 127.6047 55.1051 42.7213 176.0060 67 D 4.3292 8.7383 122.6978 51.9662 44.3397 176.5349 68 K 4.1549 8.5030 126.6989 59.6637 32.5292 179.0336 69 R 4.0678 8.0570 119.1664 58.6452 29.8615 178.3974 70 H 4.3350 7.7771 117.9066 58.1933 28.6487 176.8148 71 D 4.5864 8.3048 119.3811 57.6786 41.0525 178.5052 72 V 3.6384 7.5004 117.4084 66.2098 31.4632 177.7890 73 N 4.3657 8.5746 116.6229 56.0453 38.3302 177.3870 74 L 4.0438 8.2792 120.8383 58.0165 41.7796 179.4859 75 E 4.0919 8.5226 118.4291 59.1888 29.3901 179.2696 76 K 3.9153 8.1878 119.5819 60.0035 32.3356 178.3141 77 C 4.4100 8.5487 116.9427 59.9153 39.4792 176.2126 78 I 3.8880 8.3951 121.8819 64.2182 36.4705 178.4498 79 G 3.7644 7.9583 105.5399 47.9644 0.0000 175.1596 80 E 4.1842 8.3747 121.4286 59.3401 29.0846 179.4185 81 C 4.2963 8.2683 114.3594 61.2772 29.4460 175.9695 82 V 3.6901 7.7872 119.9803 65.4091 31.1442 177.2065 83 Q 4.3113 7.9087 115.9763 55.9434 29.1403 176.2683 84 V 4.1728 6.6817 112.0931 59.2373 33.2779 174.0655 85 P 4.5215 0.0000 0.0000 62.4330 31.8109 177.9100 86 T 3.9415 8.4090 114.9755 65.0147 67.3982 175.7217 87 S 4.2654 8.1003 114.7492 60.0838 63.2756 174.0625 88 E 4.6567 8.2665 119.9077 55.4418 31.2210 177.5100 89 R 3.9468 8.1946 118.0115 60.1430 30.2701 177.9210 90 A 4.5335 8.0405 121.5366 54.8796 18.5017 178.9102 91 H 4.3224 8.3467 116.3926 59.4794 29.9740 177.4669 92 V 3.6361 8.2018 120.2373 65.8968 31.3510 177.4301 93 F 4.2435 8.6395 120.7244 61.6932 39.1890 176.4908 94 Y 3.9859 8.4056 118.7020 60.7045 38.5676 178.0915 95 K 3.9878 8.7464 119.7735 59.6040 32.2344 178.4578 96 C 4.1662 8.3529 118.8590 59.6805 43.3137 175.6554 97 L 3.5866 7.3127 119.2705 57.6829 41.1384 179.2635 98 L 3.9824 7.3647 117.7915 57.4202 41.5309 179.0849 99 K 4.0914 7.5479 118.9051 57.7630 32.5826 177.1655 100 S 4.4201 7.2463 113.7893 57.3414 63.8459 175.0363 101 T 3.9468 8.1797 110.2724 64.1824 68.5444 175.4589 102 T 4.1012 7.7810 119.0033 65.2173 69.2708 176.7478 103 G 3.8246 8.0618 109.4589 47.9978 0.0000 175.1337 104 R 3.7409 7.9443 121.1060 59.6936 29.9427 178.2794 105 T 3.7829 7.7036 114.3102 65.9089 68.6287 176.5554 106 F 4.2180 8.5860 123.1383 61.4847 39.2362 177.3947 107 K 3.2703 7.7049 117.7586 58.9400 31.5949 179.6062 108 K 3.8555 7.2382 118.6537 59.3810 31.8708 179.6012 109 V 3.5850 7.7290 118.5434 65.7597 31.3917 177.8275 110 F 4.2733 8.5095 120.8276 61.4716 39.2677 176.6131 111 D 4.7334 8.7935 118.8839 57.6746 40.7090 178.9507 112 L 3.7982 8.2259 119.1960 58.1082 41.6083 179.3379 113 M 3.9933 8.2983 118.1293 58.3998 32.1780 177.7615 114 E 3.7687 8.2934 119.4823 59.4694 29.8095 178.9301 115 L 3.9400 7.9818 118.6595 57.1055 41.6592 179.6690 116 K 4.1123 8.4250 119.2603 59.5526 31.8364 179.5750 117 K 4.0185 8.0026 116.9896 58.8729 32.0052 178.4805 118 A 4.3458 7.6776 118.8704 52.0276 18.6468 177.9700 119 G 3.8653 7.7599 105.2751 45.9697 0.0000 174.8921 120 K 4.3472 8.2341 120.6677 57.0075 32.8996 177.3757 121 V 4.5994 7.3452 109.8429 58.3231 35.7182 173.3322 122 P 4.5395 0.0000 0.0000 62.5726 31.8585 177.5446 123 Q 4.0115 8.6556 118.3563 58.8190 28.7107 177.1788 124 H 4.6804 8.1619 110.9329 54.7886 29.0599 174.7687 125 Q 3.6600 7.5070 121.3725 57.2820 28.9984 176.7819 126 R 4.4231 8.1025 123.3537 54.7611 32.3138 176.4989 127 Y 4.0269 8.1068 121.2630 56.6674 37.2079 174.6687 128 T 4.5285 7.4708 115.8452 59.0365 73.1396 175.1163 129 A 3.9175 8.2738 121.8720 55.1391 18.2914 179.0545 130 E 3.8157 8.1790 117.3367 59.5909 29.5992 178.5955 131 F 3.9534 8.2517 120.4802 61.2575 39.3723 176.9311 132 V 3.3200 7.6124 117.7141 66.1927 31.1688 177.7928 133 Q 3.8994 7.7908 118.4666 59.1678 28.8279 178.2227 134 I 3.5935 7.6661 120.8870 64.4618 37.0180 178.0677 135 M 3.8009 7.7041 119.3079 58.5116 32.0460 178.3854 136 K 3.9474 8.0050 118.5910 59.6446 32.2054 179.1335 137 D 4.3515 8.3279 119.2821 57.1945 40.5222 177.9542 138 Y 3.9454 7.9359 119.3128 61.0306 39.0659 177.8470 139 D 4.5096 8.4993 119.8185 57.2500 40.9205 178.7270 140 K 3.9033 8.1763 119.9749 59.3591 31.9848 178.6718 141 A 4.0288 7.8401 119.9875 54.2182 18.2566 178.4601 142 L 4.3111 7.4902 115.4724 54.0931 42.0001 176.1930 143 N 4.4430 8.1145 116.3720 54.3693 37.8534 173.4341 144 C 4.5993 8.0248 118.7158 56.6076 42.1616 173.9306 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 E 8.43 4.42 0.00 1.93 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 2.18 2.30 0.00 2 T 8.35 4.37 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 1.20 0.00 0.00 3 V 8.36 3.55 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 1.16 0.00 0.00 0.85 0.00 0.00 4 Q 8.19 4.00 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 5 D 7.66 4.38 0.00 3.00 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 6 C 8.27 4.47 0.00 3.18 3.17 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 7 E 8.65 3.95 0.00 2.13 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 2.44 2.70 0.00 8 N 8.48 4.39 0.00 2.83 2.90 0.00 0.00 6.93 7.30 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 9 K 7.37 4.33 0.00 1.91 1.98 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 10 L 7.25 4.07 0.00 1.76 1.53 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.74 0.00 2.20 2.15 0.00 3.66 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 2.09 2.02 0.00 12 P 0.00 4.64 0.00 2.17 2.12 0.00 3.59 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 2.10 2.12 0.00 13 S 8.07 4.30 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.39 0.00 1.83 1.67 0.88 0.45 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 15 K 7.83 4.11 0.00 1.72 1.81 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.25 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.46 7.81 16 S 7.64 4.38 0.00 4.11 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 17 R 7.38 4.55 0.00 1.98 1.93 0.00 3.16 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 18 L 8.20 3.88 0.00 1.89 1.68 0.97 0.95 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 19 C 8.04 4.30 0.00 2.98 3.13 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 0.00 0.00 0.00 0.00 20 E 8.28 4.17 0.00 2.22 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 2.54 2.44 0.00 21 I 7.68 3.71 2.04 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 1.53 1.07 0.94 0.00 0.00 22 R 7.89 4.05 0.00 1.75 1.93 0.00 3.38 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 23 R 7.49 4.36 0.00 2.03 2.01 0.00 3.29 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 24 Y 7.27 3.73 0.00 3.08 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 25 E 8.06 4.20 0.00 2.19 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 2.35 2.38 0.00 26 I 8.25 4.30 1.92 0.00 0.00 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 1.45 0.79 0.99 0.00 0.00 27 I 8.37 4.53 1.93 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 1.45 0.67 0.94 0.00 0.00 28 E 8.70 4.37 0.00 1.99 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 2.32 2.27 0.00 29 G 8.75 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 30 P 0.00 4.90 0.00 2.29 2.32 0.00 3.89 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 2.03 1.92 0.00 31 E 8.01 3.84 0.00 2.01 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 2.41 2.35 0.00 32 M 7.99 4.10 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 33 D 8.19 4.39 0.00 2.83 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 34 K 7.52 4.41 0.00 1.69 1.79 0.00 1.53 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.48 7.81 35 H 8.04 4.16 0.00 3.28 3.38 0.00 5.84 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 36 I 7.82 3.54 1.71 0.00 0.00 0.51 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 0.26 0.64 0.00 0.00 37 H 7.90 4.11 0.00 3.44 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.99 4.11 0.00 3.23 3.30 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 39 V 8.02 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 0.54 0.00 0.00 1.03 0.00 0.00 40 M 8.28 4.19 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 3.04 0.00 41 R 8.07 3.83 0.00 1.92 1.91 0.00 3.37 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 42 A 7.78 4.03 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 43 L 7.59 3.80 0.00 0.79 0.41 -0.16 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.46 4.28 0.00 2.62 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 45 F 8.33 5.12 0.00 3.24 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 46 V 7.39 4.80 2.26 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 0.86 0.00 0.00 0.95 0.00 0.00 47 Y 8.75 4.36 0.00 3.05 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 48 E 8.97 4.07 0.00 2.04 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 0.00 2.37 2.36 0.00 49 D 8.07 4.47 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 50 G 8.59 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 0.00 0.00 0.00 51 R 8.08 4.38 0.00 1.91 1.84 0.00 3.08 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 52 G 8.01 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 0.00 0.00 0.00 53 D 8.84 4.79 0.00 2.35 2.58 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 54 Y 8.98 4.08 0.00 3.06 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 55 H 8.35 4.66 0.00 3.44 3.44 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.07 4.31 0.00 2.02 2.09 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.59 1.70 7.81 57 L 7.59 4.54 0.00 1.59 1.52 0.84 0.35 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 58 Y 7.93 3.79 0.00 2.46 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 59 D 8.16 4.21 0.00 2.81 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 60 P 0.00 4.22 0.00 2.14 2.14 0.00 3.64 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 2.40 2.23 0.00 61 L 7.96 3.86 0.00 1.47 1.04 0.71 0.85 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 62 N 7.58 4.42 0.00 2.47 2.68 0.00 0.00 7.12 7.49 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 63 I 7.79 3.81 1.82 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 1.50 0.50 0.89 0.00 0.00 64 I 7.09 4.17 1.76 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 1.36 0.54 0.78 0.00 0.00 65 E 8.09 4.31 0.00 1.80 1.81 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 2.18 2.19 0.00 66 L 8.34 4.18 0.00 1.69 1.55 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.74 4.33 0.00 2.55 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 0.00 0.00 0.00 68 K 8.50 4.15 0.00 2.05 2.07 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 69 R 8.06 4.07 0.00 1.88 1.94 0.00 3.08 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 70 H 7.78 4.33 0.00 3.06 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.30 4.59 0.00 3.21 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 72 V 7.50 3.64 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 0.99 0.00 0.00 1.01 0.00 0.00 73 N 8.57 4.37 0.00 2.74 2.75 0.00 0.00 7.07 6.32 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 74 L 8.28 4.04 0.00 1.89 1.79 0.49 0.79 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 75 E 8.52 4.09 0.00 2.06 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 2.75 2.55 0.00 76 K 8.19 3.92 0.00 1.96 1.97 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 77 C 8.55 4.41 0.00 3.01 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 78 I 8.40 3.89 1.98 0.00 0.00 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 1.33 1.15 0.93 0.00 0.00 79 G 7.96 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 80 E 8.37 4.18 0.00 2.26 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 2.36 2.48 0.00 81 C 8.27 4.30 0.00 3.53 3.49 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 82 V 7.79 3.69 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 0.85 0.00 0.00 0.98 0.00 0.00 83 Q 7.91 4.31 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 84 V 6.68 4.17 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 0.71 0.00 0.00 1.04 0.00 0.00 85 P 0.00 4.52 0.00 2.20 1.98 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 86 T 8.41 3.94 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 1.21 0.00 0.00 87 S 8.10 4.27 0.00 4.03 3.99 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 88 E 8.27 4.66 0.00 2.03 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 0.00 2.25 2.42 0.00 89 R 8.19 3.95 0.00 2.12 1.99 0.00 3.46 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 90 A 8.04 4.53 1.50 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 0.00 0.00 91 H 8.35 4.32 0.00 3.27 3.57 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.20 3.64 2.37 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 1.10 0.00 0.00 1.00 0.00 0.00 93 F 8.64 4.24 0.00 3.25 3.37 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 94 Y 8.41 3.99 0.00 3.40 3.38 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 95 K 8.75 3.99 0.00 1.89 1.85 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.56 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.73 7.81 96 C 8.35 4.17 0.00 3.01 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 97 L 7.31 3.59 0.00 1.10 0.90 -0.54 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.36 3.98 0.00 1.55 1.57 0.17 0.69 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 99 K 7.55 4.09 0.00 1.77 1.86 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.44 7.81 100 S 7.25 4.42 0.00 4.14 3.99 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 0.00 101 T 8.18 3.95 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 1.17 0.00 0.00 102 T 7.78 4.10 4.13 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 0.00 0.00 0.00 1.08 0.00 0.00 103 G 8.06 3.82 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 0.00 104 R 7.94 3.74 0.00 1.79 1.89 0.00 3.11 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 105 T 7.70 3.78 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 1.07 0.00 0.00 106 F 8.59 4.22 0.00 2.84 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 0.00 107 K 7.70 3.27 0.00 1.55 1.26 0.00 1.17 0.00 0.00 0.96 0.00 0.00 2.75 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.82 7.81 108 K 7.24 3.86 0.00 1.43 1.09 0.00 1.26 0.00 0.00 0.74 0.00 0.00 2.39 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 1.13 7.81 109 V 7.73 3.59 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 1.04 0.00 0.00 0.87 0.00 0.00 110 F 8.51 4.27 0.00 2.66 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 0.00 111 D 8.79 4.73 0.00 3.39 3.28 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 0.00 112 L 8.23 3.80 0.00 1.85 1.57 0.81 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.30 3.99 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 114 E 8.29 3.77 0.00 2.21 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 2.25 2.34 0.00 115 L 7.98 3.94 0.00 1.93 1.68 0.60 0.19 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 0.00 116 K 8.43 4.11 0.00 1.79 1.83 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.54 7.81 117 K 8.00 4.02 0.00 1.80 1.80 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.55 7.81 118 A 7.68 4.35 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 0.00 119 G 7.76 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 0.00 120 K 8.23 4.35 0.00 1.84 1.88 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.58 7.81 121 V 7.35 4.60 2.31 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 0.96 0.00 0.00 1.00 0.00 0.00 122 P 0.00 4.54 0.00 2.27 2.23 0.00 3.87 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 1.97 2.00 0.00 123 Q 8.66 4.01 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.12 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 124 H 8.16 4.68 0.00 3.26 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.51 3.66 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 126 R 8.10 4.42 0.00 1.80 1.84 0.00 3.25 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 127 Y 8.11 4.03 0.00 2.81 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 T 7.47 4.53 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 1.26 0.00 0.00 129 A 8.27 3.92 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 0.00 130 E 8.18 3.82 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 2.37 2.38 0.00 131 F 8.25 3.95 0.00 3.08 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 0.00 132 V 7.61 3.32 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 0.91 0.00 0.00 0.67 0.00 0.00 133 Q 7.79 3.90 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 134 I 7.67 3.59 1.70 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 1.37 0.46 0.80 0.00 0.00 135 M 7.70 3.80 0.00 1.95 1.39 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.82 0.00 136 K 8.00 3.95 0.00 1.97 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.55 7.81 137 D 8.33 4.35 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 0.00 138 Y 7.94 3.95 0.00 3.05 3.15 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 0.00 139 D 8.50 4.51 0.00 2.89 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 0.00 140 K 8.18 3.90 0.00 1.97 1.93 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 A 7.84 4.03 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 0.00 142 L 7.49 4.31 0.00 1.74 1.64 0.88 0.79 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 0.00 143 N 8.11 4.44 0.00 2.83 2.98 0.00 0.00 6.88 6.97 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 0.00 144 C 8.02 4.60 0.00 3.09 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