NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4288 8.3349 115.4124 57.6034 63.8672 173.1482 2 K 3.6369 8.5235 124.3873 56.3561 32.3243 174.8871 3 T 4.2811 8.5004 116.5381 62.6333 69.7276 174.2899 4 N 4.5326 7.9433 120.5671 52.7779 40.2070 173.7014 5 P 4.3306 0.0000 0.0000 65.4855 31.4589 178.9844 6 R 3.9664 8.4093 117.3770 58.9662 29.9991 178.7045 7 L 3.9374 7.8353 119.7800 58.1236 42.2192 178.9472 8 S 4.1374 7.9022 114.7694 61.6639 62.7803 176.9609 9 S 4.0250 7.9755 117.3690 61.5722 62.5964 176.1006 10 L 3.8743 8.0301 123.1957 58.6311 41.6778 179.3049 11 I 3.6863 7.8687 119.0759 64.2413 37.0219 178.1961 12 A 4.0056 7.8404 121.5320 55.2190 18.2030 179.4283 13 D 4.2266 8.5995 117.5629 57.6394 40.9918 178.8466 14 L 3.9087 8.0657 119.5996 57.8083 41.5777 180.0001 15 K 3.9518 8.1206 118.1997 59.6705 32.0579 179.1447 16 S 4.1022 8.2309 113.1839 61.5760 62.0950 176.3062 17 A 3.9887 8.1830 123.0312 55.0888 18.0253 179.5077 18 A 4.6646 7.8587 119.2931 54.3817 18.4155 179.7166 19 R 4.1951 7.8179 115.8557 59.1470 30.7165 178.8920 20 S 4.2673 8.0547 113.4994 61.7268 63.2487 175.6616 21 S 4.5580 8.1095 115.9667 57.6772 64.1897 174.4580 22 G 3.9176 8.5696 108.7637 45.8552 0.0000 174.2522 23 G 3.6002 8.0999 110.2975 44.9381 0.0000 174.1936 24 A 4.5997 8.2675 125.5232 52.4264 21.3012 178.9895 25 V 3.5905 7.3819 109.5439 64.0773 31.5695 178.3056 26 W 4.7736 7.6187 118.3509 60.0606 28.7460 178.6705 27 G 3.6388 8.1991 104.9127 47.3913 0.0000 175.1981 28 D 4.3497 7.6689 119.1802 57.1783 41.2709 178.5026 29 V 3.6455 8.5674 119.1006 65.8843 31.5548 177.7977 30 A 4.0392 8.4205 120.8906 55.3711 17.9853 179.5194 31 E 3.9797 7.7767 116.0375 59.3681 29.2697 179.1594 32 R 4.1020 7.6647 117.7695 58.9831 29.9218 178.4346 33 L 3.9085 7.6924 118.3403 57.4590 41.6823 178.8720 34 E 4.1588 8.0549 117.8939 58.0359 29.5504 177.6911 35 K 4.2831 6.9041 116.5102 54.9326 33.0737 174.8757 36 P 4.2981 0.0000 0.0000 62.9842 31.9634 177.8860 37 R 3.5154 8.6373 120.4435 59.2508 30.2032 179.3522 38 R 3.8993 7.9096 113.2631 59.1162 29.4267 177.7016 39 T 4.0991 7.7139 107.3073 63.3330 69.2389 174.6779 40 H 4.4151 7.9412 119.4347 55.6507 29.5359 174.3279 41 A 4.3997 8.0364 121.8449 51.6022 20.1155 176.6431 42 E 4.9209 8.7871 121.1909 54.2490 30.8792 174.0696 43 V 4.3663 8.5880 123.7724 61.0753 34.1368 174.7030 44 N 5.4197 8.5012 124.4016 51.4192 40.6350 176.1577 45 L 4.1275 8.6883 120.2604 58.0915 41.4280 179.9944 46 G 3.7341 8.0859 105.1281 47.5151 0.0000 175.2730 47 R 3.9867 7.9149 120.0700 58.8122 30.2058 178.4537 48 I 3.8722 7.5962 119.4656 64.1849 37.0082 177.7478 49 E 3.9202 8.1858 119.4666 58.9768 29.4559 178.5607 50 R 3.8389 7.2198 117.9358 58.5972 30.2876 177.0433 51 Y 4.6959 7.4802 112.5155 56.9979 39.4119 175.9016 52 A 4.5274 7.5498 123.2147 51.3163 19.7948 176.6249 53 Q 4.6568 8.1234 116.6763 53.7955 31.7886 175.2196 54 E 4.0045 8.7345 118.9999 57.9097 30.2901 176.3378 55 D 4.2877 8.5250 118.5457 54.6518 38.2778 175.2025 56 E 4.6322 7.7840 117.6680 55.6688 31.6140 175.0196 57 T 4.1548 8.3115 124.2039 64.0688 69.9897 173.7217 58 V 4.4642 9.2614 126.8452 61.8505 32.9281 174.5762 59 V 4.6956 8.7616 129.5647 61.4976 33.1277 174.5489 60 V 4.8416 9.1105 128.6942 58.9147 33.7115 174.5016 61 P 4.6022 0.0000 0.0000 62.2300 32.2936 174.8991 62 G 4.1596 6.7036 113.5086 47.7404 0.0000 174.5792 63 K 5.0080 9.5223 126.9041 54.2649 35.5569 174.2815 64 V 4.8090 8.6959 126.4877 61.4827 33.3671 174.9293 65 L 4.9925 9.3009 127.8328 52.6564 45.1725 176.2079 66 G 4.3258 8.3818 104.9017 46.7221 0.0000 174.0247 67 S 4.6073 8.3929 116.0306 58.3026 64.9356 176.0055 68 G 4.1880 8.8196 110.9385 44.9574 0.0000 172.2499 69 V 4.3586 7.9655 117.1613 60.6450 33.5120 174.5343 70 L 4.8569 8.4122 127.3318 53.4696 44.1523 175.5684 71 Q 4.5126 9.1087 124.7236 56.7112 30.9687 176.8832 72 K 4.0273 8.1993 116.2365 56.8582 32.5884 177.0007 73 D 5.5381 8.5256 123.3193 52.6466 40.0091 174.8751 74 V 4.4791 7.7810 115.1893 59.2831 36.1297 174.5616 75 T 4.7849 8.3746 119.4616 62.3966 70.2648 173.6851 76 V 4.8425 8.7631 127.4495 61.1825 33.7773 174.1333 77 A 5.9400 9.8523 130.1100 49.6973 21.6022 175.1278 78 A 4.8769 8.2453 122.1028 51.1170 22.5773 177.0783 79 V 3.5887 8.2166 119.1836 66.1056 32.1502 175.7160 80 D 4.4758 6.9966 116.2647 53.4605 44.2926 174.5813 81 F 5.4473 8.8393 121.4076 55.3873 42.6877 175.1648 82 S 4.3585 9.1478 117.3936 57.9575 64.1289 175.4278 83 G 3.7723 8.9754 107.1070 48.6256 0.0000 176.0276 84 T 3.9205 7.9184 117.5375 66.1649 68.4812 176.2510 85 A 3.9976 8.1319 122.7179 55.4205 18.5500 179.0934 86 E 3.5814 8.4598 117.0085 59.6312 29.3733 179.6352 87 T 3.8543 7.4597 114.9553 66.5972 68.9932 176.7223 88 K 4.0971 8.4668 120.7758 59.4533 31.9085 179.4552 89 I 3.7785 7.9751 120.2061 64.5447 36.9531 178.0941 90 D 4.6020 7.6162 119.6153 56.3560 40.6954 179.0793 91 Q 4.1463 7.5227 116.8113 58.3172 29.0653 177.3605 92 V 4.4412 7.4787 109.9847 61.0712 34.0363 174.5811 93 G 4.1907 8.1111 112.2729 44.8612 0.0000 174.7926 94 E 4.7720 9.3945 127.2523 54.7907 33.2383 173.0565 95 A 4.6442 8.8833 130.0078 50.7876 19.8481 176.4645 96 V 4.5931 9.1592 123.1036 60.8492 35.3028 175.4677 97 S 4.8584 8.6012 120.2384 57.8124 63.9809 175.0505 98 L 4.0469 8.2778 122.9927 57.9940 41.6433 179.2818 99 E 3.8738 8.0458 118.4145 59.0402 29.3677 179.0510 100 Q 3.8787 8.0073 118.0742 58.9447 28.9057 178.0297 101 A 4.0377 7.7863 121.6898 55.7062 18.0892 179.7779 102 I 2.9686 6.7721 116.9343 64.1017 37.0860 177.9950 103 E 4.0537 7.3088 118.8971 59.1854 29.5776 178.2409 104 N 4.6173 8.3688 116.1624 55.0206 40.2490 175.1780 105 N 5.1213 8.6586 118.4345 50.9561 38.8750 172.7288 106 P 4.5409 0.0000 0.0000 65.2885 31.7446 178.2396 107 E 4.1511 8.5186 117.2750 56.3593 30.2098 176.1455 108 G 3.5503 8.1170 107.9140 46.2318 0.0000 173.3546 109 S 4.5033 8.2729 111.0592 57.6618 65.5470 174.0292 110 H 4.0109 8.4464 116.9120 56.7055 25.8007 174.5633 111 V 4.8119 7.1002 116.0294 60.0222 34.9495 176.2584 112 R 4.4985 8.9122 125.2508 54.5858 32.0214 174.8581 113 V 4.4388 8.3208 126.7685 62.3873 32.2142 174.9900 114 I 4.7840 8.8267 128.7641 59.4461 40.9255 176.1109 115 R 4.1628 8.3130 121.1610 56.5924 29.2604 174.7355 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 S 8.33 4.43 0.00 3.99 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 2 K 8.52 3.64 0.00 1.85 1.85 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.47 1.45 7.81 3 T 8.50 4.28 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 1.21 0.00 0.00 4 N 7.94 4.53 0.00 2.87 2.68 0.00 0.00 7.25 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.33 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.41 3.97 0.00 1.86 1.96 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 7 L 7.84 3.94 0.00 1.75 1.83 0.92 1.02 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 8 S 7.90 4.14 0.00 4.09 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 9 S 7.98 4.02 0.00 4.02 3.88 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 10 L 8.03 3.87 0.00 1.84 1.90 0.83 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.87 3.69 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 1.45 0.70 0.92 0.00 0.00 12 A 7.84 4.01 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 13 D 8.60 4.23 0.00 2.75 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 14 L 8.07 3.91 0.00 1.89 1.98 0.94 1.03 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 15 K 8.12 3.95 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.23 4.10 0.00 3.88 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 17 A 8.18 3.99 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 18 A 7.86 4.66 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.82 4.20 0.00 1.83 2.00 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 20 S 8.05 4.27 0.00 3.90 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 21 S 8.11 4.56 0.00 4.24 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 22 G 8.57 3.92 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 0.00 0.00 0.00 23 G 8.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.27 4.60 1.22 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 0.00 0.00 25 V 7.38 3.59 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 0.60 0.00 0.00 -0.31 0.00 0.00 26 W 7.62 4.77 0.00 3.35 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 27 G 8.20 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 28 D 7.67 4.35 0.00 3.05 2.80 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 0.00 29 V 8.57 3.65 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 1.04 0.00 0.00 1.10 0.00 0.00 30 A 8.42 4.04 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 0.00 0.00 31 E 7.78 3.98 0.00 2.09 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 2.36 2.59 0.00 32 R 7.66 4.10 0.00 1.96 2.05 0.00 3.33 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 7.69 3.91 0.00 1.80 1.68 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.05 4.16 0.00 2.14 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 2.36 2.60 0.00 35 K 6.90 4.28 0.00 2.06 1.77 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.30 0.00 2.15 1.97 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.64 3.52 0.00 1.79 1.91 0.00 3.11 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 38 R 7.91 3.90 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.71 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 H 7.94 4.42 0.00 3.28 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.04 4.40 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 42 E 8.79 4.92 0.00 1.82 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 2.19 2.27 0.00 43 V 8.59 4.37 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.50 5.42 0.00 2.71 2.93 0.00 0.00 7.62 6.74 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 45 L 8.69 4.13 0.00 1.89 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.09 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 0.00 0.00 0.00 47 R 7.91 3.99 0.00 1.99 2.09 0.00 3.17 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 48 I 7.60 3.87 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.47 0.97 0.00 0.00 49 E 8.19 3.92 0.00 1.99 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 2.40 2.31 0.00 50 R 7.22 3.84 0.00 1.78 1.53 0.00 2.49 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.27 0.00 51 Y 7.48 4.70 0.00 2.98 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 52 A 7.55 4.53 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 53 Q 8.12 4.66 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 54 E 8.73 4.00 0.00 1.98 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 2.33 2.35 0.00 55 D 8.52 4.29 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 56 E 7.78 4.63 0.00 1.96 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 2.20 2.34 0.00 57 T 8.31 4.15 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 1.36 0.00 0.00 58 V 9.26 4.46 2.16 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 0.97 0.00 0.00 0.98 0.00 0.00 59 V 8.76 4.70 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 1.06 0.00 0.00 1.14 0.00 0.00 60 V 9.11 4.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.60 0.00 2.23 2.23 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 62 G 6.70 4.16 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 63 K 9.52 5.01 0.00 1.70 1.58 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.30 7.81 64 V 8.70 4.81 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 1.18 0.00 0.00 0.79 0.00 0.00 65 L 9.30 4.99 0.00 1.85 1.57 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.38 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 0.00 0.00 0.00 0.00 67 S 8.39 4.61 0.00 4.06 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.82 4.19 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 69 V 7.97 4.36 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.41 4.86 0.00 1.59 1.51 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.11 4.51 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.20 4.03 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.84 7.81 73 D 8.53 5.54 0.00 2.80 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 74 V 7.78 4.48 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 0.96 0.00 0.00 1.00 0.00 0.00 75 T 8.37 4.78 4.28 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 1.27 0.00 0.00 76 V 8.76 4.84 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.02 0.00 0.00 77 A 9.85 5.94 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 78 A 8.25 4.88 0.64 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 79 V 8.22 3.59 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.00 4.48 0.00 2.65 2.35 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 81 F 8.84 5.45 0.00 2.87 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 82 S 9.15 4.36 0.00 3.93 4.04 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 83 G 8.98 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 0.00 0.00 0.00 84 T 7.92 3.92 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 85 A 8.13 4.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.46 3.58 0.00 2.02 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 2.17 1.99 0.00 87 T 7.46 3.85 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 1.20 0.00 0.00 88 K 8.47 4.10 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 89 I 7.98 3.78 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.87 0.00 0.00 90 D 7.62 4.60 0.00 2.62 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 91 Q 7.52 4.15 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 92 V 7.48 4.44 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 0.80 0.00 0.00 0.96 0.00 0.00 93 G 8.11 4.19 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 94 E 9.39 4.77 0.00 2.03 1.75 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 2.17 2.23 0.00 95 A 8.88 4.64 0.50 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 96 V 9.16 4.59 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 1.12 0.00 0.00 0.94 0.00 0.00 97 S 8.60 4.86 0.00 4.11 4.04 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 98 L 8.28 4.05 0.00 1.85 1.65 1.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.05 3.87 0.00 2.06 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 0.00 100 Q 8.01 3.88 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 7.79 4.04 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 0.00 102 I 6.77 2.97 1.66 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 -0.11 -0.00 0.56 0.00 0.00 103 E 7.31 4.05 0.00 2.03 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 2.30 2.32 0.00 104 N 8.37 4.62 0.00 2.75 2.90 0.00 0.00 6.74 7.57 0.00 0.00 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 N 8.66 5.12 0.00 2.82 3.01 0.00 0.00 6.96 7.56 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 0.00 106 P 0.00 4.54 0.00 2.29 2.29 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 107 E 8.52 4.15 0.00 2.16 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 2.43 2.41 0.00 108 G 8.12 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.27 4.50 0.00 4.01 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 0.00 110 H 8.45 4.01 0.00 3.32 3.33 0.00 5.57 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.10 4.81 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 0.44 0.00 0.00 0.90 0.00 0.00 112 R 8.91 4.50 0.00 2.06 1.83 0.00 3.12 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 113 V 8.32 4.44 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 0.81 0.00 0.00 0.86 0.00 0.00 114 I 8.83 4.78 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.97 0.00 0.00 115 R 8.31 4.16 0.00 1.85 1.81 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00