NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3081 8.1844 122.4934 55.5655 43.2623 176.7859 4 E 4.6347 8.2021 118.3278 53.7411 31.4953 172.1445 5 P 4.2183 0.0000 0.0000 62.3821 33.3671 175.0993 6 I 4.2129 8.0648 120.8433 59.6363 39.3778 174.4527 7 D 4.5767 8.6499 126.4460 52.8449 41.9760 175.3382 8 Y 4.7837 7.6572 123.2060 56.7167 39.1425 175.9489 9 T 4.5393 7.8192 111.6853 63.1896 70.5596 176.7465 10 T 3.9186 8.6822 119.2071 66.3588 68.6763 174.8595 11 H 4.9844 8.1246 117.5822 55.1447 29.7207 176.2397 12 S 4.2457 7.9744 118.1115 61.7065 62.2509 175.8988 13 R 3.9095 7.9726 121.7551 59.3991 29.6837 178.2386 14 E 4.0384 8.1555 117.8320 59.4390 29.5728 179.1619 15 I 3.9108 7.9925 119.7751 64.7477 37.1865 178.2966 16 D 4.5880 8.4727 119.4777 57.2585 40.4722 178.7388 17 A 4.0362 7.9214 121.4818 55.3796 18.5442 179.6291 18 E 3.9384 8.0397 116.8710 59.4135 29.5327 178.7953 19 Y 4.1227 8.3816 119.8446 60.9319 38.9016 178.3692 20 L 3.6063 8.2591 120.0516 57.5181 41.6821 179.6308 21 K 3.9725 7.6799 119.6629 58.8153 31.8272 179.4872 22 I 3.6045 7.4763 119.5871 64.5848 36.9506 179.0337 23 V 3.6340 7.3472 111.1244 63.4534 31.3711 177.8829 24 R 4.3362 7.7583 116.1882 54.8790 30.7307 176.2963 25 G 3.9417 7.4785 106.7398 46.5021 0.0000 174.7589 26 S 4.2730 7.7729 113.7419 58.8117 64.0562 173.1106 27 D 4.7396 7.6409 120.9849 51.7949 42.7738 173.6771 28 P 4.3908 0.0000 0.0000 64.8510 31.4175 176.7561 29 D 4.4957 7.9454 117.4397 55.0349 41.2889 176.4349 30 T 4.4182 7.7116 115.3466 61.9271 69.9245 173.2732 31 T 4.7399 9.0318 116.3157 60.6734 70.5244 173.4550 32 W 5.6559 7.4517 118.5055 55.3484 32.2959 173.3689 33 L 4.9968 9.3988 121.5825 54.1383 45.7239 174.1378 34 I 5.5045 9.0897 125.3395 59.6324 41.0618 174.3141 35 I 5.1722 9.4408 120.9062 59.5937 40.3248 174.6000 36 S 5.0574 9.0992 118.3529 55.9216 66.4952 170.8704 37 P 4.3746 0.0000 0.0000 62.3241 32.1675 176.3022 38 N 4.6164 8.8400 121.8957 51.5266 39.3279 175.1267 39 A 3.9704 8.5758 119.8826 55.2966 18.1985 178.4127 40 K 4.4193 8.6591 114.5977 56.0469 32.1544 177.2073 41 K 4.2475 7.9645 115.7886 57.3928 30.3381 174.6251 42 E 4.7825 7.6986 118.2873 54.8857 31.3792 175.3516 43 Y 4.7291 8.8579 123.1493 58.2017 38.9271 174.6897 44 E 4.8404 8.8744 119.6058 54.5705 33.7651 172.5227 45 P 4.6857 0.0000 0.0000 63.3848 31.1539 175.8606 46 E 4.6063 9.2510 126.0287 57.6897 31.3753 175.8609 47 S 4.8155 7.7624 111.3112 57.7692 66.2340 173.6837 48 T 3.8258 7.0710 110.2715 59.3994 72.3902 172.5518 49 G 3.4491 5.5779 106.3100 45.8125 0.0000 172.9736 50 S 5.2104 8.7288 110.1593 55.7728 64.5945 173.9614 51 S 4.7866 8.3499 116.6937 56.8485 63.5536 173.7226 52 F 4.2671 9.0215 131.4859 61.7411 39.0465 176.2252 53 H 4.1267 8.3232 117.6273 58.6911 29.9056 176.2211 54 D 4.4006 8.1679 119.5460 57.1817 41.0639 177.4466 55 F 2.3000 7.7533 121.3306 61.0791 38.9071 177.2735 56 L 3.5059 7.0905 116.4370 56.5752 41.3686 178.4699 57 Q 4.3437 7.2752 116.0022 55.3637 29.1925 175.5893 58 L 4.3130 6.8516 119.2490 54.2932 41.8815 176.4904 59 F 3.9085 7.0915 117.5529 56.3934 39.9385 174.5399 60 D 4.6935 9.6371 125.1703 52.7775 41.5003 177.0137 61 E 4.4433 9.1233 127.9945 58.3996 29.8957 176.8759 62 T 4.7123 9.2805 107.9970 61.6582 69.6076 173.8785 63 K 4.6500 7.9558 120.4474 54.6112 36.0798 175.8431 64 V 4.0513 8.3858 122.3066 63.0193 32.1183 175.0559 65 Q 5.0913 9.4459 126.0266 54.4845 34.0002 173.5318 66 Y 5.3314 9.0730 117.0624 56.4727 41.5623 175.1905 67 G 5.1560 9.8307 111.5675 44.6538 0.0000 171.8891 68 L 5.4471 9.5813 123.9537 53.1479 45.5748 175.0052 69 A 5.0139 9.1066 126.8793 50.3274 23.0835 174.4966 70 R 4.8350 9.1456 122.4448 54.9439 31.3540 176.0258 71 V 4.4005 9.0025 119.4288 59.5760 36.3756 174.7414 72 S 5.1511 8.3268 118.4965 55.2188 63.0405 171.7467 73 P 4.2094 0.0000 0.0000 61.4346 31.8899 175.0103 74 P 4.1519 0.0000 0.0000 65.8767 31.5057 177.7320 75 G 4.0626 7.5880 108.5125 42.8194 0.0000 172.0983 76 S 4.6012 7.7348 111.2043 57.2241 66.0593 173.0740 77 D 4.8217 8.3876 121.5997 52.9394 40.7437 176.4796 78 V 3.8469 7.6753 121.9010 62.8649 32.7412 174.3085 79 E 4.8980 8.6791 126.7743 54.7924 31.2895 175.4599 80 K 4.5971 9.2411 123.3779 54.6584 36.0759 174.9352 81 I 5.0323 8.4922 121.6573 59.6753 40.1149 174.4902 82 I 5.2893 8.9623 127.5972 59.1129 41.0843 173.9967 83 I 5.3082 9.0061 121.7814 59.2689 40.6215 174.1875 84 I 5.0702 9.7129 126.1424 59.6189 40.5517 174.7885 85 G 3.1868 9.5380 115.6071 44.2706 0.0000 172.4660 86 W 4.7390 8.6148 135.0000 55.6676 31.7788 174.3684 87 C 4.2993 7.9085 129.3351 56.2956 31.7743 171.1835 88 P 4.2830 0.0000 0.0000 60.6856 32.1779 177.8675 89 D 4.2121 8.3189 119.9931 57.8169 40.8047 177.8324 90 S 4.3872 7.8383 111.7241 58.6254 62.7604 173.8035 91 A 4.7758 7.3695 123.2447 49.6276 19.7748 176.8093 92 P 4.3078 0.0000 0.0000 62.5836 33.2686 177.2382 93 L 3.9039 8.5990 123.1947 58.6330 41.8242 179.6984 94 K 4.0073 8.0716 117.7524 59.7730 31.8182 179.3106 95 T 4.1337 7.8323 108.4880 64.9098 68.9372 176.4529 96 R 4.0515 8.1875 120.7569 58.8926 29.8358 178.7795 97 A 4.1022 8.0117 119.7362 54.3041 18.6166 178.7688 98 S 4.5938 7.7393 111.8882 58.4387 63.2419 175.7508 99 F 4.2817 7.8927 125.0542 61.4584 39.1765 176.5069 100 A 3.7438 8.2352 119.3805 55.2446 18.1214 179.3115 101 A 3.8965 7.8785 118.4095 55.4699 18.4817 179.5094 102 N 4.2532 8.4572 115.3742 56.2661 38.5043 177.4967 103 F 4.1844 8.7459 122.8317 61.2353 39.4218 177.0717 104 A 3.6706 7.9850 120.2043 54.8186 18.0232 179.5164 105 A 3.8705 7.7450 119.3316 55.2176 18.4332 180.0211 106 V 2.8282 7.7085 116.7206 65.9187 31.3014 178.0661 107 A 3.8866 7.7064 119.3465 54.9728 18.2138 178.7035 108 N 4.6040 8.0158 113.2478 54.6024 39.1015 176.4346 109 N 4.7810 8.2018 116.4218 53.7301 40.7264 174.8353 110 L 3.7616 7.2655 120.2114 55.9634 43.4169 177.1015 111 F 4.6316 7.7923 119.3547 56.6246 38.5088 176.8156 112 K 4.2191 7.4586 119.6157 57.7870 32.9069 178.1620 113 G 3.9412 8.7708 110.1844 45.2910 0.0000 173.3333 114 Y 4.4276 7.4120 116.8540 57.1548 38.9003 174.7561 115 H 4.7748 9.4484 117.8662 56.1590 31.2810 175.3169 116 V 4.6440 8.0498 117.4195 60.9469 34.6447 174.0517 117 Q 5.1566 8.9914 128.1889 54.3580 31.4207 174.5831 118 V 4.6531 9.0892 125.1923 61.5693 35.3084 173.8345 119 T 5.1798 8.8705 123.7415 61.9867 70.1487 173.7009 120 A 4.6098 9.2009 128.0267 50.2329 22.2127 176.3560 121 R 3.6435 9.4282 120.0151 56.1525 31.8893 175.3310 122 D 4.7360 7.3920 114.9458 51.6881 42.5674 175.1056 123 E 4.0081 9.2527 117.5891 60.0792 29.2943 179.3631 124 D 4.6088 8.4638 116.5192 56.2463 40.8325 176.6695 125 D 4.7148 8.1946 118.2776 54.5350 41.5033 176.8058 126 L 4.5922 7.7783 119.8471 54.1013 42.3351 176.7692 127 D 4.3180 8.0639 118.6674 54.1656 41.9441 174.5242 128 E 3.9482 8.9080 128.0703 59.8081 29.5947 178.5417 129 N 4.4854 8.1391 115.5772 56.3114 38.2051 176.7153 130 E 3.9625 9.1023 121.0198 59.4164 29.8067 179.0237 131 L 4.1439 8.3600 119.1133 57.9049 41.8028 179.2928 132 L 4.0148 8.3839 119.1657 57.9358 41.2712 179.2274 133 M 3.9957 7.8488 117.3037 58.8663 32.3272 178.4170 134 K 4.1678 7.5987 115.5382 59.0817 32.5715 178.9326 135 I 4.0559 7.6281 119.6559 63.5462 36.9960 177.6534 136 S 4.6375 7.8525 114.1640 59.0130 63.5887 174.3248 137 N 4.8236 7.2229 118.1002 49.8997 38.6149 174.3391 138 A 4.0988 8.0180 123.9358 52.8484 19.1734 176.5414 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 3 L 8.18 4.31 0.00 1.63 1.65 0.92 0.57 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 4 E 8.20 4.63 0.00 1.94 1.83 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 2.24 2.38 0.00 5 P 0.00 4.22 0.00 2.04 1.96 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 6 I 8.06 4.21 1.91 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.78 0.00 0.00 7 D 8.65 4.58 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.66 4.78 0.00 2.89 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 9 T 7.82 4.54 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 1.26 0.00 0.00 10 T 8.68 3.92 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 11 H 8.12 4.98 0.00 3.44 3.43 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.97 4.25 0.00 4.32 4.31 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 13 R 7.97 3.91 0.00 1.93 2.00 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 14 E 8.16 4.04 0.00 2.31 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 2.47 2.51 0.00 15 I 7.99 3.91 2.00 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 1.71 0.90 1.11 0.00 0.00 16 D 8.47 4.59 0.00 2.87 2.87 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 17 A 7.92 4.04 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 18 E 8.04 3.94 0.00 2.20 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 2.60 2.49 0.00 19 Y 8.38 4.12 0.00 3.23 3.33 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 20 L 8.26 3.61 0.00 1.73 1.62 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.68 3.97 0.00 1.85 1.79 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.58 7.81 22 I 7.48 3.60 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.90 0.00 0.00 23 V 7.35 3.63 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 0.48 0.00 0.00 0.48 0.00 0.00 24 R 7.76 4.34 0.00 1.82 1.91 0.00 3.35 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 25 G 7.48 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 26 S 7.77 4.27 0.00 3.99 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 27 D 7.64 4.74 0.00 2.66 2.45 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 28 P 0.00 4.39 0.00 2.20 2.15 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 29 D 7.95 4.50 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.42 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 31 T 9.03 4.74 4.42 0.00 0.00 0.00 0.00 0.00 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 32 W 7.45 5.66 0.00 2.73 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 33 L 9.40 5.00 0.00 1.71 1.51 1.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 I 9.09 5.50 1.97 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.78 0.00 0.00 35 I 9.44 5.17 2.28 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 1.79 1.26 1.28 0.00 0.00 36 S 9.10 5.06 0.00 3.91 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.37 0.00 1.88 1.29 0.00 3.64 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 38 N 8.84 4.62 0.00 2.89 3.14 0.00 0.00 6.51 6.99 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 39 A 8.58 3.97 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 40 K 8.66 4.42 0.00 1.94 1.82 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.40 7.81 41 K 7.96 4.25 0.00 1.94 1.94 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 42 E 7.70 4.78 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 43 Y 8.86 4.73 0.00 3.18 3.07 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 44 E 8.87 4.84 0.00 2.03 1.83 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 2.13 2.27 0.00 45 P 0.00 4.69 0.00 2.01 2.12 0.00 3.73 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 2.11 2.22 0.00 46 E 9.25 4.61 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 47 S 7.76 4.82 0.00 4.03 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 48 T 7.07 3.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 49 G 5.58 3.45 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 0.00 50 S 8.73 5.21 0.00 4.01 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 51 S 8.35 4.79 0.00 4.05 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 52 F 9.02 4.27 0.00 3.13 3.14 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 53 H 8.32 4.13 0.00 3.46 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.17 4.40 0.00 3.00 3.05 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 55 F 7.75 2.30 0.00 1.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.09 3.51 0.00 1.25 1.36 0.28 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.28 4.34 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.11 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 58 L 6.85 4.31 0.00 1.10 1.47 1.29 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.09 3.91 0.00 1.51 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 60 D 9.64 4.69 0.00 2.60 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 61 E 9.12 4.44 0.00 2.15 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 2.32 2.33 0.00 62 T 9.28 4.71 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 1.23 0.00 0.00 63 K 7.96 4.65 0.00 1.83 1.72 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 64 V 8.39 4.05 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 0.86 0.00 0.00 0.89 0.00 0.00 65 Q 9.45 5.09 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.77 0.00 66 Y 9.07 5.33 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.83 5.16 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 0.00 68 L 9.58 5.45 0.00 0.95 1.06 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.11 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.15 4.83 0.00 1.74 1.81 0.00 3.50 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 71 V 9.00 4.40 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 0.13 0.00 0.00 0.56 0.00 0.00 72 S 8.33 5.15 0.00 3.82 3.73 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 73 P 0.00 4.21 0.00 2.18 1.97 0.00 3.82 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 74 P 0.00 4.15 0.00 2.17 2.21 0.00 3.72 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 2.00 2.02 0.00 75 G 7.59 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 0.00 0.00 0.00 76 S 7.73 4.60 0.00 3.76 3.78 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 77 D 8.39 4.82 0.00 2.77 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 78 V 7.68 3.85 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 0.87 0.00 0.00 0.91 0.00 0.00 79 E 8.68 4.90 0.00 1.84 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 2.19 2.28 0.00 80 K 9.24 4.60 0.00 1.63 1.68 0.00 1.42 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.29 7.81 81 I 8.49 5.03 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 1.03 0.00 0.00 82 I 8.96 5.29 2.02 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.08 1.21 0.00 0.00 83 I 9.01 5.31 2.17 0.00 0.00 -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 1.07 0.83 1.08 0.00 0.00 84 I 9.71 5.07 2.08 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 1.34 1.20 0.61 0.00 0.00 85 G 9.54 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 0.00 0.00 0.00 86 W 8.61 4.74 0.00 2.68 2.87 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 87 C 7.91 4.30 0.00 1.23 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.16 1.30 0.00 3.53 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.18 0.00 89 D 8.32 4.21 0.00 2.54 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.84 4.39 0.00 4.11 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 91 A 7.37 4.78 1.24 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 0.00 0.00 0.00 92 P 0.00 4.31 0.00 2.18 2.01 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 93 L 8.60 3.90 0.00 1.74 1.68 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.07 4.01 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.51 7.81 95 T 7.83 4.13 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 1.33 0.00 0.00 96 R 8.19 4.05 0.00 2.04 1.97 0.00 2.96 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.92 0.00 97 A 8.01 4.10 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 98 S 7.74 4.59 0.00 3.92 3.95 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 99 F 7.89 4.28 0.00 3.12 3.27 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 0.00 100 A 8.24 3.74 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.88 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 0.00 102 N 8.46 4.25 0.00 2.84 2.86 0.00 0.00 6.70 8.58 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 0.00 103 F 8.75 4.18 0.00 2.24 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 0.00 104 A 7.98 3.67 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 0.00 105 A 7.74 3.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.71 2.83 1.71 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 0.37 0.00 0.00 0.01 0.00 0.00 107 A 7.71 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.02 4.60 0.00 2.72 2.86 0.00 0.00 6.87 7.28 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 0.00 109 N 8.20 4.78 0.00 2.59 2.80 0.00 0.00 6.86 7.79 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 0.00 110 L 7.27 3.76 0.00 0.27 0.80 0.50 -0.33 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 0.00 111 F 7.79 4.63 0.00 2.99 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 0.00 112 K 7.46 4.22 0.00 1.83 1.79 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.38 7.81 113 G 8.77 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 0.00 114 Y 7.41 4.43 0.00 3.18 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 0.00 115 H 9.45 4.77 0.00 3.12 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.05 4.64 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 1.20 0.00 0.00 1.08 0.00 0.00 117 Q 8.99 5.16 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 118 V 9.09 4.65 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 1.07 0.00 0.00 119 T 8.87 5.18 4.41 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 1.34 0.00 0.00 120 A 9.20 4.61 1.15 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 0.00 0.00 121 R 9.43 3.64 0.00 1.46 1.77 0.00 3.01 0.00 0.00 3.52 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 122 D 7.39 4.74 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.25 4.01 0.00 2.04 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 2.55 2.35 0.00 124 D 8.46 4.61 0.00 2.78 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 0.00 125 D 8.19 4.71 0.00 2.73 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 0.00 126 L 7.78 4.59 0.00 1.60 1.46 0.36 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.06 4.32 0.00 2.78 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 0.00 128 E 8.91 3.95 0.00 2.01 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 2.53 2.62 0.00 129 N 8.14 4.49 0.00 3.00 2.89 0.00 0.00 6.68 7.66 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 0.00 130 E 9.10 3.96 0.00 2.25 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 2.34 2.45 0.00 131 L 8.36 4.14 0.00 2.14 1.99 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.38 4.01 0.00 1.89 1.76 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 133 M 7.85 4.00 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 134 K 7.60 4.17 0.00 1.99 1.93 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.74 7.81 135 I 7.63 4.06 1.96 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 1.56 1.44 0.84 0.00 0.00 136 S 7.85 4.64 0.00 4.03 3.91 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 0.00 137 N 7.22 4.82 0.00 2.75 2.74 0.00 0.00 6.76 7.23 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 0.00 138 A 8.02 4.10 1.21 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 0.00 0.00