NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8121 8.0549 120.2685 61.5104 32.6753 174.4796 2 H 4.5774 8.1349 119.2456 53.2383 31.5495 171.6013 3 W 5.0719 8.4567 123.9276 55.3567 32.2037 176.1909 4 T 4.5126 8.6600 112.9396 60.6726 71.1993 175.9816 5 Q 3.9637 8.4797 122.1229 59.2516 29.0313 177.9696 6 E 3.8995 8.1446 120.0337 59.2377 29.7067 178.5798 7 E 3.8638 8.1218 118.1459 59.3229 29.5484 179.4001 8 R 3.4845 7.8015 118.0131 59.2724 30.0721 178.8443 9 D 4.2477 8.1659 118.7182 57.2492 40.9480 178.4162 10 E 3.8894 8.1289 119.7626 59.3193 29.7100 179.0500 11 I 3.0694 7.2094 119.8355 64.1319 36.8670 178.5882 12 S 4.0561 8.0677 115.5053 61.4202 62.7748 176.6493 13 K 4.0084 8.3922 122.5940 59.4880 31.8045 179.4974 14 T 3.9963 7.9604 115.5969 66.7039 68.1832 176.6458 15 F 4.0281 8.2240 118.0755 59.5015 39.0521 176.6129 16 Q 4.5483 7.8025 117.6899 56.2277 29.4940 175.8717 17 G 4.1017 8.1186 105.8249 45.2543 0.0000 172.8431 18 T 4.6052 7.6568 116.1646 61.5268 71.5758 175.0650 19 D 4.6022 8.1666 124.1698 53.5538 39.1194 176.7287 20 M 3.9818 7.9436 123.8787 57.1753 32.3036 177.7291 21 K 3.9412 7.9330 119.8629 59.8243 32.4732 178.8331 22 T 3.8613 7.9148 115.5479 66.4030 68.4542 176.7475 23 V 3.4897 7.5869 120.0488 66.1658 31.5939 178.3832 24 V 3.6052 8.2349 118.1844 65.9853 31.2131 178.1643 25 T 3.8294 7.8811 115.7678 66.7968 68.3044 176.7068 26 Q 4.0619 8.2309 119.5524 58.5576 28.6141 178.5655 27 A 3.8965 7.8455 122.2231 54.7868 18.3721 179.7367 28 L 3.5140 7.8525 117.5474 57.9698 41.2495 179.4286 29 D 4.4179 7.7461 118.3490 57.2368 40.6257 178.8700 30 R 3.7618 7.9687 119.2954 59.5426 30.0505 178.1845 31 M 3.9432 7.8917 118.0210 58.7879 31.7736 178.2584 32 F 4.5013 7.8513 117.5766 59.8013 38.7360 177.3399 33 K 4.0149 7.3013 117.9787 58.8488 32.4460 178.4649 34 V 3.5487 7.5278 117.3964 64.2113 32.9540 175.6433 35 Y 3.8330 7.2406 115.7732 53.9506 37.9481 173.8129 36 P 4.4822 0.0000 0.0000 64.5521 31.9788 177.8319 37 W 4.3776 8.1493 114.8178 59.2615 27.7753 177.6532 38 T 4.3653 7.3375 109.2918 63.5956 68.5458 175.7933 39 N 4.3327 8.5330 120.1823 55.7912 38.2331 177.0546 40 R 3.6009 7.3742 119.8432 59.7981 30.2010 177.6312 41 Y 3.9650 7.0824 113.7415 59.7620 38.1933 176.8775 42 F 4.6019 7.6840 117.8254 57.6115 40.1824 177.4104 43 Q 4.0749 7.9738 116.3554 58.2024 28.2746 177.2608 44 K 4.0602 7.7607 119.1031 58.5189 33.7855 176.8261 45 R 4.3279 7.7480 119.4413 54.9761 29.0422 176.8768 46 T 3.9071 8.5999 121.1503 66.2110 68.6178 175.1917 47 D 4.8222 7.9523 117.8986 52.7874 39.7423 176.1099 48 F 4.2799 7.9916 122.0015 58.7322 40.1152 175.0598 49 R 4.2082 7.0053 125.1328 53.5714 33.5370 176.0426 50 S 3.9421 8.3550 122.0625 61.7781 62.7955 176.9297 51 S 4.1452 7.7133 118.4896 61.0805 62.6255 176.7861 52 I 3.6696 7.4197 121.8320 64.5097 36.8939 177.7311 53 H 4.1140 8.0630 118.8394 59.2606 29.7186 176.9514 54 A 4.0573 8.3601 123.0309 55.2782 18.2656 179.8143 55 G 3.6618 7.8688 104.0430 48.1085 0.0000 176.0324 56 I 3.8248 7.6996 122.1631 63.9488 37.0854 178.7722 57 V 3.6586 7.9903 119.6071 65.9624 31.3927 178.3778 58 V 4.0209 8.5613 118.5277 65.8563 30.9109 178.2573 59 G 3.7559 8.2486 105.3357 47.3477 0.0000 175.6505 60 A 4.2528 7.6406 122.3298 54.9784 18.5508 179.6707 61 L 4.1607 8.2069 117.5879 58.1045 41.5453 179.4353 62 Q 3.3658 8.3358 118.8563 59.0860 29.2314 177.7406 63 D 4.4420 7.8171 117.6531 57.2242 40.8543 178.0578 64 A 3.8010 8.2025 121.5329 55.0520 18.0748 179.7946 65 V 3.3433 7.6685 116.2556 65.8036 31.5410 178.0698 66 K 4.0754 7.5709 116.9560 57.9327 32.8133 176.8299 67 H 4.9456 7.7693 115.1912 54.7962 29.2957 175.2467 68 M 4.0032 7.9945 119.4534 58.1815 32.1532 177.6852 69 D 4.8874 7.9916 115.7797 54.8468 42.3226 175.8025 70 D 4.8918 8.1300 120.0379 52.7837 42.0352 177.5134 71 V 3.3624 7.7206 120.2283 65.6399 31.6643 176.7501 72 K 3.9875 7.8389 117.3359 59.8318 31.7650 178.9499 73 T 4.0746 7.7844 115.5099 66.3942 68.2505 176.6041 74 L 4.0444 7.6698 121.2066 57.4640 42.3477 178.0125 75 F 5.0312 8.0774 115.7421 57.1787 39.1268 177.2926 76 K 3.8958 7.7462 121.4710 60.0284 31.8582 178.5661 77 D 4.3592 8.0563 118.4244 57.1756 40.9242 178.2669 78 L 3.8889 7.8872 120.4552 58.1380 42.0448 178.8812 79 S 4.2084 8.5300 113.5529 61.3930 62.2917 176.3500 80 K 3.8920 7.9139 121.0699 59.1158 31.6820 179.3129 81 K 3.8895 8.3235 120.4062 59.7915 32.0922 178.6775 82 H 4.1404 8.3023 116.2843 58.3490 28.4204 177.7438 83 A 3.3541 7.3821 121.8206 55.0315 18.3620 178.9587 84 D 4.3726 7.9093 115.8500 56.5147 41.2382 177.8704 85 D 4.4735 7.6595 117.8539 56.6728 41.5096 177.8043 86 L 4.0733 7.9369 117.9076 55.6085 42.2774 176.7919 87 H 4.1859 7.8180 114.1973 56.6200 26.0401 174.9978 88 V 3.4925 7.8061 118.0837 61.5213 32.4882 174.6939 89 D 4.3775 9.0617 127.8176 53.4084 41.2980 175.0525 90 P 3.2833 0.0000 0.0000 65.0462 30.7743 178.0458 91 G 3.7137 8.1391 104.5654 46.7146 0.0000 174.9790 92 S 4.4521 7.9814 117.0575 59.6468 63.0179 176.1233 93 F 4.4855 7.3761 121.2822 61.0154 38.7531 177.1851 94 H 4.8106 8.2298 114.9990 57.8151 28.0345 177.3993 95 L 3.7308 7.3692 121.8203 57.1911 41.2505 179.1439 96 L 3.9151 7.7136 120.1446 58.3636 42.3916 178.8422 97 T 3.2373 7.5031 109.7132 64.7479 68.5483 176.0353 98 D 4.4223 8.5825 122.0536 57.3923 40.8405 178.4857 99 C 4.2193 7.7373 116.9046 62.6004 27.9945 176.1723 100 I 3.6489 7.6528 121.7229 64.2710 36.5324 178.5045 101 I 3.6764 7.7343 120.8514 64.2254 36.8260 178.6610 102 V 3.5290 7.5640 118.7700 65.9890 31.3626 178.0317 103 E 3.9223 8.1372 118.3995 59.2422 29.1807 179.3079 104 L 3.6306 7.9033 119.2362 57.3559 41.5310 179.4104 105 A 3.3374 7.3691 120.8615 55.1155 18.1005 179.1366 106 Y 4.0388 7.9339 117.1910 60.3588 38.8517 177.6305 107 L 3.9337 7.5580 120.7450 57.7769 42.6444 178.3957 108 R 4.1421 8.2485 116.4896 55.8620 30.7987 177.9405 109 K 3.5479 8.5391 119.7904 57.0327 31.6742 177.3390 110 D 4.5933 8.8535 126.0504 56.4376 38.9823 176.8872 111 C 4.3697 8.1424 117.1811 61.0663 28.7266 174.2802 112 F 4.5982 8.2126 124.1106 57.0322 37.4805 175.6161 113 T 4.2479 7.5236 115.9448 60.0164 71.4023 173.4483 114 P 4.2676 0.0000 0.0000 66.1604 31.1389 178.4826 115 H 4.1545 8.0922 116.3448 59.3775 29.9871 177.2796 116 I 3.6284 7.5236 121.2731 64.3098 36.8136 178.1948 117 Q 3.8426 8.1546 120.9912 58.9991 28.8350 178.5223 118 G 3.7058 8.0915 106.7872 47.8425 0.0000 175.7875 119 I 3.7652 7.4448 121.8593 64.0665 37.0795 178.6293 120 W 3.9940 8.1381 119.3943 59.5917 28.9084 178.0865 121 D 4.6669 8.9023 118.6240 57.3444 40.7930 178.2791 122 K 3.9906 8.2739 120.1297 59.4712 32.2256 178.5376 123 F 4.6431 8.5251 121.0365 61.6602 39.2927 177.2027 124 F 4.5375 8.6710 117.5663 60.1946 38.7264 177.3960 125 E 4.0185 8.4560 119.6250 59.2204 29.4413 178.9752 126 V 3.6022 7.8086 118.2349 65.8862 31.5986 178.2672 127 V 3.5494 7.6782 118.1664 65.8540 31.4175 178.1485 128 I 3.6302 8.0296 119.8172 64.2988 36.7196 177.9124 129 D 4.3257 8.1108 118.5509 57.2673 40.8542 178.1744 130 A 4.0323 7.7416 120.1900 55.1382 18.5633 178.9811 131 I 3.8764 7.7444 114.5903 62.6467 38.2163 176.9466 132 S 4.8668 7.5359 113.3914 58.9142 63.5279 174.9184 133 K 4.0636 7.7201 123.8720 59.8899 31.9480 178.2097 134 Q 4.1912 8.1134 113.7239 56.3651 28.1682 175.4628 135 Y 4.1100 7.7354 117.6359 57.6671 37.9860 175.4801 136 H 4.6803 8.6592 121.3757 55.9339 29.3850 173.9661 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 V 8.05 3.81 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 0.72 0.00 0.00 0.04 0.00 0.00 2 H 8.13 4.58 0.00 3.06 3.14 0.00 5.87 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 3 W 8.46 5.07 0.00 3.24 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 4 T 8.66 4.51 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 1.24 0.00 0.00 5 Q 8.48 3.96 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 6 E 8.14 3.90 0.00 2.08 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 2.39 2.42 0.00 7 E 8.12 3.86 0.00 2.42 2.14 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 2.38 2.42 0.00 8 R 7.80 3.48 0.00 1.93 1.79 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.89 0.00 9 D 8.17 4.25 0.00 2.85 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 10 E 8.13 3.89 0.00 2.01 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 2.13 2.09 0.00 11 I 7.21 3.07 1.17 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.36 -0.14 0.00 0.00 12 S 8.07 4.06 0.00 3.89 4.06 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 13 K 8.39 4.01 0.00 2.17 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.53 7.81 14 T 7.96 4.00 4.80 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 1.23 0.00 0.00 15 F 8.22 4.03 0.00 3.30 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 16 Q 7.80 4.55 0.00 2.06 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 17 G 8.12 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 18 T 7.66 4.61 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 1.09 0.00 0.00 19 D 8.17 4.60 0.00 2.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 7.94 3.98 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.08 0.00 21 K 7.93 3.94 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 22 T 7.91 3.86 4.38 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 1.20 0.00 0.00 23 V 7.59 3.49 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 0.83 0.00 0.00 0.83 0.00 0.00 24 V 8.23 3.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 25 T 7.88 3.83 4.36 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 1.17 0.00 0.00 26 Q 8.23 4.06 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 27 A 7.85 3.90 1.31 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 0.00 0.00 28 L 7.85 3.51 0.00 1.76 1.40 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.75 4.42 0.00 2.80 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 30 R 7.97 3.76 0.00 1.86 1.97 0.00 2.99 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 31 M 7.89 3.94 0.00 1.84 1.97 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 2.65 2.54 0.00 32 F 7.85 4.50 0.00 3.22 3.08 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 0.00 0.00 0.00 33 K 7.30 4.01 0.00 1.72 1.87 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 34 V 7.53 3.55 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 0.15 0.00 0.00 0.70 0.00 0.00 35 Y 7.24 3.83 0.00 2.53 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 0.00 0.00 0.00 0.00 36 P 0.00 4.48 0.00 2.25 2.15 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 37 W 8.15 4.38 0.00 3.52 3.46 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 0.00 0.00 0.00 38 T 7.34 4.37 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 39 N 8.53 4.33 0.00 3.01 2.77 0.00 0.00 6.46 7.02 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 40 R 7.37 3.60 0.00 1.79 1.09 0.00 3.06 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.49 0.00 41 Y 7.08 3.97 0.00 1.83 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.68 4.60 0.00 2.42 1.97 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 43 Q 7.97 4.07 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 44 K 7.76 4.06 0.00 1.86 1.92 0.00 1.49 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 45 R 7.75 4.33 0.00 2.15 2.09 0.00 3.40 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 46 T 8.60 3.91 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 1.23 0.00 0.00 47 D 7.95 4.82 0.00 2.80 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 48 F 7.99 4.28 0.00 3.17 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 49 R 7.01 4.21 0.00 1.59 1.44 0.00 3.32 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 50 S 8.36 3.94 0.00 3.87 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 51 S 7.71 4.15 0.00 3.77 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 52 I 7.42 3.67 1.73 0.00 0.00 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 1.43 0.84 0.89 0.00 0.00 53 H 8.06 4.11 0.00 3.21 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.36 4.06 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 55 G 7.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.70 3.82 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.93 0.00 0.00 57 V 7.99 3.66 2.21 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 1.07 0.00 0.00 0.92 0.00 0.00 58 V 8.56 4.02 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 1.23 0.00 0.00 1.06 0.00 0.00 59 G 8.25 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 60 A 7.64 4.25 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 61 L 8.21 4.16 0.00 2.23 2.11 1.42 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.34 3.37 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 63 D 7.82 4.44 0.00 3.10 2.83 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 64 A 8.20 3.80 1.14 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 65 V 7.67 3.34 1.84 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 0.52 0.00 0.00 0.11 0.00 0.00 66 K 7.57 4.08 0.00 1.92 1.69 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.38 7.81 67 H 7.77 4.95 0.00 3.08 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 7.99 4.00 0.00 1.56 1.85 0.00 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.01 0.00 69 D 7.99 4.89 0.00 2.70 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 70 D 8.13 4.89 0.00 2.69 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 71 V 7.72 3.36 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 0.45 0.00 0.00 0.89 0.00 0.00 72 K 7.84 3.99 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 73 T 7.78 4.07 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 74 L 7.67 4.04 0.00 1.62 1.73 0.80 0.26 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 75 F 8.08 5.03 0.00 3.15 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 76 K 7.75 3.90 0.00 2.07 1.85 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 77 D 8.06 4.36 0.00 2.75 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 78 L 7.89 3.89 0.00 1.59 1.59 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.53 4.21 0.00 4.01 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 80 K 7.91 3.89 0.00 1.98 1.79 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.68 7.81 81 K 8.32 3.89 0.00 1.86 2.03 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.44 7.81 82 H 8.30 4.14 0.00 3.61 3.68 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.38 3.35 0.30 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 84 D 7.91 4.37 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.66 4.47 0.00 2.70 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 86 L 7.94 4.07 0.00 1.53 1.62 0.70 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.82 4.19 0.00 3.33 3.43 0.00 5.89 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.81 3.49 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 0.03 0.00 0.00 0.48 0.00 0.00 89 D 9.06 4.38 0.00 2.84 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 90 P 0.00 3.28 0.00 1.99 1.36 0.00 3.50 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.00 0.00 91 G 8.14 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 92 S 7.98 4.45 0.00 3.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 7.38 4.49 0.00 3.18 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 94 H 8.23 4.81 0.00 3.44 3.62 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.37 3.73 0.00 1.67 1.28 0.87 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.71 3.92 0.00 1.75 1.82 0.83 0.82 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 97 T 7.50 3.24 3.43 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 1.05 0.00 0.00 98 D 8.58 4.42 0.00 2.77 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 99 C 7.74 4.22 0.00 3.07 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 0.00 100 I 7.65 3.65 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.93 0.00 0.00 101 I 7.73 3.68 2.14 0.00 0.00 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 1.87 1.05 1.16 0.00 0.00 102 V 7.56 3.53 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 1.04 0.00 0.00 0.98 0.00 0.00 103 E 8.14 3.92 0.00 2.05 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 2.41 2.61 0.00 104 L 7.90 3.63 0.00 1.07 0.73 -0.43 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.37 3.34 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.93 4.04 0.00 2.92 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 0.00 107 L 7.56 3.93 0.00 1.66 1.70 0.84 0.65 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 0.00 108 R 8.25 4.14 0.00 1.97 2.02 0.00 3.42 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 109 K 8.54 3.55 0.00 1.92 1.29 0.00 1.38 0.00 0.00 1.56 0.00 0.00 2.65 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.29 7.81 110 D 8.85 4.59 0.00 2.80 2.82 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 0.00 111 C 8.14 4.37 0.00 3.31 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 0.00 112 F 8.21 4.60 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 0.00 113 T 7.52 4.25 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 1.29 0.00 0.00 114 P 0.00 4.27 0.00 2.19 2.18 0.00 3.60 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 2.13 2.18 0.00 115 H 8.09 4.15 0.00 3.16 3.28 0.00 5.67 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 0.00 116 I 7.52 3.63 1.67 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 1.40 1.05 1.08 0.00 0.00 117 Q 8.15 3.84 0.00 1.71 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 118 G 8.09 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 0.00 119 I 7.44 3.77 1.83 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 1.43 0.55 0.63 0.00 0.00 120 W 8.14 3.99 0.00 3.84 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 0.00 121 D 8.90 4.67 0.00 2.99 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 0.00 122 K 8.27 3.99 0.00 2.04 2.16 0.00 1.65 0.00 0.00 1.40 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.31 7.81 123 F 8.53 4.64 0.00 2.96 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 0.00 124 F 8.67 4.54 0.00 3.41 3.16 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 0.00 125 E 8.46 4.02 0.00 2.40 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 2.34 2.37 0.00 126 V 7.81 3.60 2.34 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 0.99 0.00 0.00 0.96 0.00 0.00 127 V 7.68 3.55 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 1.13 0.00 0.00 0.45 0.00 0.00 128 I 8.03 3.63 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.14 1.02 0.00 0.00 129 D 8.11 4.33 0.00 2.75 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 0.00 130 A 7.74 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.74 3.88 1.74 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 -0.02 0.00 0.00 132 S 7.54 4.87 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.72 4.06 0.00 2.12 1.88 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 134 Q 8.11 4.19 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 135 Y 7.74 4.11 0.00 3.11 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 0.00 136 H 8.66 4.68 0.00 3.12 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00