NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3229 8.3049 120.2983 54.1870 34.2488 175.3973 2 K 4.3137 7.5146 116.7897 53.4639 34.9590 174.9257 3 F 4.1761 9.6324 124.0041 57.8889 40.0793 175.4715 4 E 4.5208 8.8925 123.8254 56.3345 29.7238 174.8865 5 T 4.7675 7.7685 112.5196 60.4658 70.8952 172.4763 6 I 4.5785 8.2596 124.1218 59.2776 39.2217 175.4222 7 N 4.9792 8.6632 122.4558 50.4797 41.8094 174.7733 8 Q 3.9722 8.7464 120.0860 59.4767 28.7929 178.0952 9 E 3.8801 8.0175 119.7872 59.2836 29.8122 178.7887 10 S 2.9665 7.3141 113.7460 61.1093 62.8574 176.3033 11 I 3.6998 7.7244 123.2779 63.9211 36.8475 178.2686 12 A 4.0436 8.0748 121.7290 54.9868 18.2207 179.6260 13 K 3.8850 8.0203 118.2117 59.3603 32.2161 178.7302 14 L 3.8353 7.9526 120.7432 58.5305 42.0108 178.8873 15 M 4.4528 8.4677 118.8544 58.4912 31.9471 178.4829 16 E 4.0343 8.3573 118.6103 59.6433 29.7280 179.5691 17 I 3.6639 7.8215 119.4656 64.3040 37.1552 178.4211 18 F 4.1528 8.3774 123.1104 61.1126 39.2227 176.7870 19 Y 3.8570 7.9084 115.6292 60.1777 37.7380 178.0158 20 E 3.7653 7.9830 119.8341 59.1086 29.3249 179.2254 21 K 3.7820 7.5169 117.4772 59.3242 32.4710 179.2142 22 V 3.3060 7.4220 118.7731 65.8491 31.1071 178.0205 23 R 3.5780 7.5220 117.2250 59.1436 29.8608 178.1322 24 K 4.0256 7.4830 116.0778 56.8641 32.8021 176.9507 25 D 4.3619 7.2531 120.4347 53.4620 41.7802 176.8573 26 K 3.9161 8.6532 127.5119 59.3646 32.6363 177.3901 27 D 4.4454 8.0334 116.9509 56.6594 41.7676 178.3158 28 L 4.2409 9.0423 120.0048 57.3183 41.5807 179.2988 29 G 3.9938 8.0609 105.9336 47.7797 0.0000 173.6749 30 P 4.3715 0.0000 0.0000 65.1060 31.2390 178.5955 31 I 3.7126 7.9221 117.9706 64.6001 37.0201 178.3920 32 F 3.8563 8.4300 118.1407 60.4904 38.7870 177.4580 33 N 4.8696 8.8991 117.8958 56.1505 38.2324 177.2805 34 N 4.4066 8.6063 116.3519 55.7159 38.5813 176.7730 35 A 4.2512 7.4296 121.6376 53.7220 19.4490 178.5306 36 I 4.1561 7.7645 109.2436 59.9313 38.9407 174.6472 37 G 4.0941 8.1516 105.5366 45.6538 0.0000 173.5905 38 T 4.8054 8.2374 106.5136 61.3464 70.5257 175.5064 39 S 4.3994 8.1391 118.1725 58.4663 65.1087 174.6909 40 D 4.4930 8.6882 123.1423 57.5605 40.5336 179.0657 41 E 4.0455 8.1727 118.8270 59.4006 29.7172 178.7282 42 E 4.1268 8.0580 118.6673 59.5213 29.5563 179.6220 43 W 4.0333 8.4097 118.5107 59.4455 29.1067 178.8803 44 K 4.1537 8.4106 118.8195 59.5001 31.4839 179.2871 45 E 4.0479 8.6882 119.3811 59.3438 29.2254 178.9544 46 H 4.0501 8.1405 118.3445 59.1819 29.9179 177.4877 47 K 3.8925 8.1602 120.1021 59.2081 31.8425 179.0785 48 A 4.0345 8.1622 121.0655 55.0838 18.3040 179.4744 49 K 3.9700 7.9750 117.8919 60.0149 32.3444 179.0616 50 I 3.8485 8.0691 120.3385 64.2398 36.9347 178.6075 51 G 3.9087 8.7781 107.1904 48.1316 0.0000 175.5271 52 N 4.4913 8.5036 118.8982 55.7758 38.5435 177.1878 53 F 3.7743 8.3902 122.3100 61.2210 39.2990 177.3792 54 W 4.1430 8.4700 118.1914 59.5201 28.8369 178.4337 55 A 4.1717 8.5404 121.1838 55.1739 17.9565 179.9542 56 G 3.5390 8.1938 104.2510 48.0645 0.0000 175.7157 57 M 3.9839 7.6612 119.6940 57.7679 32.3048 177.3951 58 L 4.5381 8.1758 117.4272 55.1536 43.1877 177.2249 59 L 4.5170 8.3639 116.2204 53.5258 43.3034 177.0362 60 G 3.9467 8.0394 105.2566 45.9162 0.0000 172.9924 61 E 4.6118 8.3237 115.3208 54.5009 32.6833 173.0020 62 G 3.9337 8.3641 104.9956 44.4554 0.0000 173.3778 63 D 4.8833 8.7007 116.2095 52.8853 39.4521 175.7713 64 Y 4.1920 8.0394 121.2360 58.4626 39.0601 174.8067 65 N 4.6943 7.6946 122.6107 52.9045 40.6443 174.0472 66 G 3.7121 5.6085 105.8937 44.6627 0.0000 173.8786 67 Q 4.5807 8.0658 117.0297 52.9243 29.3012 174.6345 68 P 4.2980 0.0000 0.0000 65.2605 31.5777 177.6481 69 L 3.3870 8.0540 118.4921 58.1072 41.9665 178.8029 70 K 3.8007 8.0519 117.7261 59.4714 31.7486 179.0160 71 K 3.7935 7.7565 117.3752 60.0786 31.7952 178.8204 72 H 4.2366 7.8539 115.6476 58.4269 28.3085 177.6077 73 L 3.8294 7.7839 121.9272 58.0300 42.0163 178.1596 74 D 4.4800 7.9042 116.3659 54.4676 41.3481 176.8936 75 L 4.1739 6.6315 118.9659 53.4566 42.3221 175.2388 76 P 4.2975 0.0000 0.0000 62.0342 31.8291 174.8576 77 P 4.1801 0.0000 0.0000 62.9831 31.8187 175.5223 78 F 4.9577 7.4708 114.6971 54.1627 41.2746 172.6118 79 P 4.2000 0.0000 0.0000 62.2702 31.9055 177.5369 80 Q 3.7128 8.1020 123.9552 58.6041 28.5366 178.6844 81 E 4.1703 8.1748 118.8730 59.2928 29.3984 179.0182 82 F 4.6599 8.6345 117.8344 60.3735 38.8731 177.5091 83 F 4.2616 8.8809 117.9999 60.4409 38.6535 177.3448 84 E 4.1998 8.4494 118.2727 59.4915 29.1929 179.5165 85 I 3.7815 7.8533 119.2394 64.1407 37.2942 177.7527 86 W 4.3958 8.5491 129.3723 60.9667 30.4172 178.0037 87 L 4.4739 8.6525 118.6688 57.6338 41.0830 179.3419 88 K 3.9804 8.4417 119.6470 59.7395 32.2476 178.8567 89 L 4.0337 8.2914 119.4054 57.6678 41.4139 179.3995 90 F 3.3679 8.3697 120.7571 60.9360 39.1527 176.7990 91 E 3.7947 8.4198 119.0647 59.2493 29.3102 178.4283 92 E 3.9052 8.2241 118.5705 59.6735 29.2308 179.6706 93 S 4.0095 7.9405 114.8431 61.4973 62.8933 176.6371 94 L 3.9099 7.6988 121.9776 57.9187 41.1211 179.1611 95 N 4.4826 8.0905 115.8102 56.5926 38.8270 176.6993 96 I 3.8639 7.1581 120.6258 64.0699 37.5439 178.0179 97 V 3.6981 7.5652 118.7811 63.9944 31.4730 175.3195 98 Y 5.2252 7.5730 114.5394 55.4976 40.9380 174.9643 99 N 4.6488 8.5509 120.2193 52.3147 38.5546 175.7068 100 E 3.9288 8.7756 118.0755 59.2901 28.9250 178.1369 101 E 3.8690 8.1413 118.7409 59.6299 29.9337 178.6121 102 M 3.9299 8.4039 118.5682 58.1530 31.9833 178.3454 103 K 3.6091 7.9722 119.8090 60.0318 32.3705 178.3983 104 N 4.3398 8.0848 116.0663 55.8819 38.2697 177.7522 105 V 3.5623 7.3741 119.0606 66.0802 31.6540 178.2192 106 I 3.7250 7.4762 119.4025 63.9451 36.9152 178.0105 107 L 4.1329 8.0438 121.4520 58.2969 41.9356 178.6566 108 Q 4.2846 7.8668 120.2375 58.7605 28.9268 178.7975 109 R 4.0029 7.8381 118.7494 59.2872 30.0763 178.9110 110 A 4.2587 8.5012 120.6012 55.3448 17.8711 179.6984 111 Q 3.9812 8.6941 117.0329 59.2640 28.9103 178.6429 112 M 4.0232 8.1334 119.1407 58.7335 32.2846 178.3799 113 I 3.4023 7.6576 119.5909 64.1791 37.1642 178.2549 114 A 3.8062 7.9682 121.8677 55.1239 18.2028 179.5915 115 S 3.9232 8.1898 111.8165 61.6769 62.3226 175.9454 116 H 4.1802 8.0215 120.6218 59.2502 29.6681 177.0686 117 F 4.3324 8.3446 120.0172 60.9628 38.6511 177.7969 118 Q 3.9824 8.0234 117.5242 59.0432 28.2613 178.5598 119 N 4.4315 8.0236 116.3968 56.2961 38.5661 176.8339 120 M 4.1855 7.5542 119.0624 57.2369 32.3891 177.8304 121 L 4.0483 7.7001 117.4782 54.3686 42.8139 176.4454 122 Y 4.6564 7.2066 116.2793 55.8577 41.5283 176.3163 123 K 3.9882 8.7900 125.6048 58.1859 32.6442 177.9400 124 Y 3.8676 8.2032 116.3318 57.4308 39.5158 168.9680 125 G 3.5794 8.1629 107.2678 46.8147 0.0000 173.7256 126 G 3.6402 9.1585 116.2868 42.2236 0.0000 173.5141 127 H 4.3214 8.7693 121.3725 55.7055 28.5792 175.0085 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.32 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 2 K 7.51 4.31 0.00 1.73 1.66 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.47 7.81 3 F 9.63 4.18 0.00 3.02 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 4 E 8.89 4.52 0.00 1.99 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 2.26 2.45 0.00 5 T 7.77 4.77 4.33 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 1.42 0.00 0.00 6 I 8.26 4.58 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.90 0.00 0.00 7 N 8.66 4.98 0.00 2.92 2.91 0.00 0.00 6.15 7.39 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 8 Q 8.75 3.97 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 9 E 8.02 3.88 0.00 2.10 1.89 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 2.46 2.43 0.00 10 S 7.31 2.97 0.00 2.97 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 11 I 7.72 3.70 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 1.51 0.84 1.11 0.00 0.00 12 A 8.07 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 13 K 8.02 3.88 0.00 1.91 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.44 7.81 14 L 7.95 3.84 0.00 1.79 1.82 0.46 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.47 4.45 0.00 2.36 2.39 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 3.19 0.00 16 E 8.36 4.03 0.00 2.21 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 2.52 2.54 0.00 17 I 7.82 3.66 1.89 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 1.37 0.74 0.86 0.00 0.00 18 F 8.38 4.15 0.00 2.75 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 19 Y 7.91 3.86 0.00 3.49 3.32 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 20 E 7.98 3.77 0.00 2.03 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 2.76 2.37 0.00 21 K 7.52 3.78 0.00 1.68 1.71 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.50 7.81 22 V 7.42 3.31 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 0.02 0.00 0.00 -0.43 0.00 0.00 23 R 7.52 3.58 0.00 1.12 1.54 0.00 2.21 0.00 0.00 2.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 24 K 7.48 4.03 0.00 1.73 1.73 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.34 7.81 25 D 7.25 4.36 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 3.92 0.00 1.72 1.78 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 27 D 8.03 4.45 0.00 2.29 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 9.04 4.24 0.00 1.54 1.81 0.92 0.44 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 29 G 8.06 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 0.00 0.00 0.00 30 P 0.00 4.37 0.00 2.26 2.19 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 31 I 7.92 3.71 2.06 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.82 0.61 0.00 0.00 32 F 8.43 3.86 0.00 3.52 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 33 N 8.90 4.87 0.00 2.89 3.02 0.00 0.00 6.57 6.81 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 34 N 8.61 4.41 0.00 2.76 2.90 0.00 0.00 7.03 7.21 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 35 A 7.43 4.25 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 36 I 7.76 4.16 1.55 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.21 0.56 0.00 0.00 37 G 8.15 4.09 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 0.00 0.00 0.00 38 T 8.24 4.81 4.30 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 1.36 0.00 0.00 39 S 8.14 4.40 0.00 4.13 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 40 D 8.69 4.49 0.00 2.75 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 41 E 8.17 4.05 0.00 2.06 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 2.43 2.44 0.00 42 E 8.06 4.13 0.00 2.20 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 2.33 2.39 0.00 43 W 8.41 4.03 0.00 3.46 3.35 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 44 K 8.41 4.15 0.00 2.10 1.92 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.72 7.81 45 E 8.69 4.05 0.00 2.14 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 2.35 2.43 0.00 46 H 8.14 4.05 0.00 3.02 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.16 3.89 0.00 2.09 1.98 0.00 1.92 0.00 0.00 1.98 0.00 0.00 3.35 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.78 7.81 48 A 8.16 4.03 1.46 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 0.00 0.00 49 K 7.97 3.97 0.00 1.99 1.97 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.74 7.81 50 I 8.07 3.85 2.07 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 1.28 0.59 1.49 0.00 0.00 51 G 8.78 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 0.00 0.00 0.00 52 N 8.50 4.49 0.00 3.10 3.16 0.00 0.00 6.65 7.75 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 53 F 8.39 3.77 0.00 2.13 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.47 4.14 0.00 3.58 3.22 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 0.00 55 A 8.54 4.17 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 56 G 8.19 3.54 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 0.00 0.00 0.00 57 M 7.66 3.98 0.00 2.03 1.43 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 58 L 8.18 4.54 0.00 1.76 1.71 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.36 4.52 0.00 1.70 1.70 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.04 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 0.00 0.00 0.00 61 E 8.32 4.61 0.00 2.05 1.90 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 2.20 2.33 0.00 62 G 8.36 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 0.00 0.00 0.00 63 D 8.70 4.88 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 64 Y 8.04 4.19 0.00 3.04 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 65 N 7.69 4.69 0.00 2.52 2.52 0.00 0.00 7.12 7.98 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 66 G 5.61 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 67 Q 8.07 4.58 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 68 P 0.00 4.30 0.00 2.39 2.01 0.00 3.80 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 69 L 8.05 3.39 0.00 1.93 1.72 0.72 0.88 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 70 K 8.05 3.80 0.00 1.95 1.81 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 71 K 7.76 3.79 0.00 1.86 1.72 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.62 7.81 72 H 7.85 4.24 0.00 2.71 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.78 3.83 0.00 1.44 1.85 0.78 1.45 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 74 D 7.90 4.48 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 6.63 4.17 0.00 1.89 1.68 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.30 0.00 2.08 2.01 0.00 3.70 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 2.03 2.11 0.00 77 P 0.00 4.18 0.00 1.97 1.86 0.00 3.60 0.00 0.00 3.66 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 78 F 7.47 4.96 0.00 2.94 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 79 P 0.00 4.20 0.00 1.62 1.85 0.00 2.20 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.78 0.00 80 Q 8.10 3.71 0.00 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.20 1.85 0.00 81 E 8.17 4.17 0.00 2.27 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 0.00 2.46 2.49 0.00 82 F 8.63 4.66 0.00 3.38 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 83 F 8.88 4.26 0.00 3.48 3.32 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 84 E 8.45 4.20 0.00 2.39 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 2.46 2.52 0.00 85 I 7.85 3.78 2.06 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 1.57 0.78 0.91 0.00 0.00 86 W 8.55 4.40 0.00 3.58 3.44 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 87 L 8.65 4.47 0.00 2.09 1.95 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.44 3.98 0.00 2.02 2.07 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.54 7.81 89 L 8.29 4.03 0.00 2.14 1.87 0.91 1.14 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 90 F 8.37 3.37 0.00 1.84 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 91 E 8.42 3.79 0.00 2.20 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 2.30 2.34 0.00 92 E 8.22 3.91 0.00 2.20 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 2.32 2.54 0.00 93 S 7.94 4.01 0.00 3.66 3.77 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 94 L 7.70 3.91 0.00 1.61 1.60 0.63 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.09 4.48 0.00 2.82 2.93 0.00 0.00 7.32 8.74 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 96 I 7.16 3.86 1.94 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 1.36 0.74 0.86 0.00 0.00 97 V 7.57 3.70 1.65 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 0.16 0.00 0.00 0.83 0.00 0.00 98 Y 7.57 5.23 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 99 N 8.55 4.65 0.00 2.91 3.01 0.00 0.00 6.81 7.70 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 0.00 100 E 8.78 3.93 0.00 2.10 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 2.38 2.43 0.00 101 E 8.14 3.87 0.00 2.07 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 2.37 2.39 0.00 102 M 8.40 3.93 0.00 1.79 2.27 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 2.66 2.74 0.00 103 K 7.97 3.61 0.00 1.90 2.07 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 104 N 8.08 4.34 0.00 2.87 2.83 0.00 0.00 6.71 7.63 0.00 0.00 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 V 7.37 3.56 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 0.99 0.00 0.00 0.93 0.00 0.00 106 I 7.48 3.73 1.49 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 1.13 0.40 0.44 0.00 0.00 107 L 8.04 4.13 0.00 1.83 1.74 1.11 0.82 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 0.00 108 Q 7.87 4.28 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 R 7.84 4.00 0.00 2.22 2.27 0.00 3.41 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 110 A 8.50 4.26 1.62 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 0.00 0.00 111 Q 8.69 3.98 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 112 M 8.13 4.02 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 113 I 7.66 3.40 1.59 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 1.29 0.25 -0.15 0.00 0.00 114 A 7.97 3.81 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 0.00 115 S 8.19 3.92 0.00 3.92 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 0.00 116 H 8.02 4.18 0.00 3.20 3.34 0.00 5.66 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 0.00 117 F 8.34 4.33 0.00 2.94 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 0.00 118 Q 8.02 3.98 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 1.56 1.35 0.00 119 N 8.02 4.43 0.00 2.85 2.90 0.00 0.00 7.09 7.31 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 0.00 120 M 7.55 4.19 0.00 1.84 2.18 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 2.49 2.74 0.00 121 L 7.70 4.05 0.00 1.09 0.62 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.21 4.66 0.00 2.94 2.65 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 0.00 123 K 8.79 3.99 0.00 1.81 1.84 0.00 1.84 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.46 7.81 124 Y 8.20 3.87 0.00 3.23 3.04 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 0.00 0.00 0.00 125 G 8.16 3.58 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 0.00 0.00 0.00 126 G 9.16 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 0.00 127 H 8.77 4.32 0.00 3.33 3.31 0.00 5.74 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