NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3870 8.1776 115.2795 57.8296 63.3926 174.3470 2 I 3.1750 8.1376 122.3607 63.3174 37.5679 176.6117 3 Q 4.0617 8.3695 120.9094 58.7194 29.4968 178.9225 4 A 4.1016 7.7108 119.1541 53.6182 19.0393 177.4541 5 E 3.7423 7.8841 117.8712 55.3689 29.8124 178.0210 6 E 3.9047 8.3965 121.9825 58.6785 30.0169 177.7072 7 W 4.5758 7.3882 114.7160 56.8438 28.5818 174.6817 8 Y 5.2544 7.7934 122.5534 57.1161 38.1251 175.2477 9 F 4.5495 9.4169 126.2172 56.3640 40.7057 177.8943 10 G 3.3785 5.4314 111.5589 46.7315 0.0000 176.5363 11 K 4.4033 8.5765 120.3786 54.3405 30.2843 174.9449 12 I 4.5898 7.2865 114.4061 58.4121 40.8500 176.9000 13 T 4.3632 8.0382 112.4189 60.8358 71.2493 175.7409 14 R 3.7953 9.4655 121.3540 59.5123 29.9113 178.3926 15 R 3.8728 7.9254 117.9853 59.4370 30.0771 177.9159 16 E 3.9446 8.2274 119.3293 59.2847 29.6268 178.7519 17 S 4.1053 8.4288 114.7094 61.7117 62.8231 176.4818 18 E 3.9592 8.3352 122.0872 59.0327 28.9788 179.1721 19 R 3.9008 8.0418 118.2403 59.4992 30.2072 178.3193 20 L 4.1844 7.9443 117.8817 57.6646 41.7655 179.0337 21 L 4.2159 8.0058 117.6567 56.3586 42.2307 177.5799 22 L 4.5341 7.9420 119.6389 53.6318 42.1692 176.1979 23 N 4.7853 7.5272 117.2716 51.5620 40.5298 174.9655 24 A 4.1368 8.7956 128.7532 55.3696 18.4750 178.0570 25 E 4.1297 8.6606 113.8809 57.8402 29.8006 176.6366 26 N 4.5990 8.1699 118.4980 51.6410 39.4988 173.5939 27 P 4.5607 0.0000 0.0000 61.2189 32.9931 175.4188 28 R 4.0206 8.1030 117.4664 57.9634 30.2682 177.6860 29 G 4.1377 9.1493 110.0753 46.4004 0.0000 173.3950 30 T 4.6416 7.6363 117.3547 63.9857 69.5908 173.4051 31 F 5.9774 9.1667 119.7402 55.4162 42.2764 172.8271 32 L 4.5813 8.3037 117.0364 54.5974 43.4830 174.0172 33 V 5.1045 9.3186 121.3406 61.3649 34.2995 174.6044 34 R 5.1102 9.2856 123.1173 54.2216 33.5786 174.0640 35 E 4.5922 8.9472 119.6374 56.2411 30.0925 177.3728 36 S 4.2568 8.3980 118.5791 58.4240 62.5492 174.4039 37 E 4.1492 9.0027 126.1302 58.9680 29.4880 177.8027 38 T 4.5472 7.8156 104.7226 61.0096 70.0175 173.3203 39 T 4.4675 7.9477 119.6898 61.2926 70.6534 173.5930 40 K 3.9921 8.6704 126.4874 58.2509 32.7773 177.4095 41 G 3.6693 8.7773 109.5980 45.6088 0.0000 172.6113 42 A 4.6772 7.3470 120.8488 50.3031 22.3265 175.3723 43 Y 5.2939 8.6827 115.8518 56.4406 42.7664 174.4282 44 C 5.3757 9.4018 117.1954 58.1183 32.5717 173.3857 45 L 5.0090 9.0547 125.6807 53.8824 43.4642 174.9679 46 S 5.2620 9.0333 123.8084 56.9927 65.0483 173.7160 47 V 5.1366 8.8440 124.6883 61.0854 34.9413 174.6468 48 S 5.0287 9.3794 122.4518 58.0473 65.0501 172.4069 49 D 5.1740 9.1492 120.6941 53.3460 45.5174 173.4693 50 F 5.6176 8.7976 121.6506 57.8208 42.3690 172.4843 51 D 4.6592 7.5331 123.5972 52.1269 42.4414 175.9132 52 N 4.0673 8.7186 116.0543 55.9849 38.6911 176.7945 53 A 3.9934 7.8042 120.5083 54.7645 18.5970 178.3094 54 K 4.1595 9.3135 114.0463 55.4408 33.6222 179.4790 55 G 3.2914 7.7146 108.6520 45.3000 0.0000 172.1821 56 L 4.9025 8.5148 124.1493 55.2005 42.8627 177.1256 57 N 5.0594 9.2788 122.8080 51.9581 41.4743 173.0282 58 V 4.9173 8.2238 117.9347 60.9865 34.5880 174.5132 59 K 4.5087 8.9539 125.8268 54.7375 35.5718 174.6607 60 H 5.1519 8.3337 120.3556 54.1474 31.4107 172.6387 61 Y 4.6827 8.6094 121.1035 55.8683 40.4783 174.9910 62 K 4.6183 8.8448 125.8348 56.2198 33.5990 175.6725 63 I 4.6536 8.9786 128.4541 59.8264 39.5287 174.9621 64 R 4.6394 8.9618 126.7064 54.6689 32.2265 175.4414 65 K 4.5041 8.1012 122.8316 54.3466 34.6449 175.8075 66 L 4.2863 8.8431 128.4591 54.4211 42.3500 178.2416 67 D 4.3747 8.5445 121.7691 57.4798 40.9594 177.7385 68 S 4.3048 7.9332 112.3746 59.0944 62.8318 174.5043 69 G 4.0134 8.1694 110.2082 44.8786 0.0000 174.4037 70 G 4.0676 7.8905 106.7780 45.6976 0.0000 172.6963 71 F 5.4284 9.7661 122.9167 56.1323 41.2569 174.5782 72 Y 5.2579 8.4740 119.3191 57.0886 41.1001 175.3367 73 I 4.2025 9.0018 120.8608 63.1779 38.4088 176.1665 74 T 4.7815 7.7846 114.4812 59.7698 69.1278 175.0332 75 S 2.8096 8.5914 122.7528 60.6352 63.0866 175.7763 76 R 3.8740 7.8026 119.0090 58.2981 29.9366 176.4630 77 T 4.1475 7.7824 113.8345 61.4401 69.3648 173.0211 78 Q 4.8488 7.7190 123.9810 53.8481 31.7042 175.2842 79 F 4.8617 8.7638 117.4709 55.7242 42.7859 176.2842 80 N 4.4335 8.9908 120.1006 55.6840 39.0432 175.8852 81 S 4.5055 7.7790 112.0219 55.6635 67.4551 174.7950 82 L 3.4962 7.1329 123.5721 57.9638 41.6840 179.2600 83 Q 4.2368 7.8695 117.8857 59.1319 28.7029 178.4307 84 Q 4.0214 8.0870 119.1221 58.5211 28.6790 178.5818 85 L 2.4400 7.4922 121.4119 57.5837 41.9296 179.1646 86 V 3.1167 7.3020 116.6752 65.8143 31.4687 177.5409 87 A 4.0040 8.1731 120.9236 55.0108 18.1629 179.0928 88 Y 3.7785 7.9134 118.4694 60.9676 38.9864 177.2231 89 Y 4.5170 7.6433 116.9066 58.8352 37.7518 177.4019 90 S 4.9133 7.2937 117.3319 58.9823 63.2407 174.7215 91 K 4.2659 7.5712 119.5041 56.2629 33.6564 176.0798 92 H 4.6708 7.4419 115.4035 53.6043 31.4493 174.5236 93 A 4.0352 8.7055 127.0748 54.1031 19.8921 179.3390 94 D 4.4968 7.7520 113.1279 55.9569 40.3937 175.1839 95 G 3.9132 8.9301 116.5420 46.5764 0.0000 173.3646 96 L 3.9453 7.9550 121.4187 53.7667 42.3037 177.9200 97 C 4.3847 8.9945 116.0831 61.3539 29.7788 173.3821 98 H 4.4705 7.1583 117.2785 54.8621 33.0453 173.5472 99 R 4.1333 7.6926 120.5201 55.7732 30.2282 175.8202 100 L 3.9151 8.7102 120.6976 55.9796 42.1096 175.4594 101 T 4.6270 9.2652 111.3357 61.0138 70.7498 173.5983 102 T 4.7833 8.0059 113.6696 59.0607 71.2549 173.7874 103 V 3.4563 8.2258 126.7036 62.4877 32.4024 175.2375 104 C 4.2492 8.2740 128.5257 59.0720 31.8297 171.8143 105 P 4.6149 0.0000 0.0000 62.5663 32.0265 176.4774 106 T 4.2557 8.3100 115.6118 63.9786 68.5409 175.0807 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 8.18 4.39 0.00 3.84 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 2 I 8.14 3.18 1.26 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.28 0.65 0.00 0.00 3 Q 8.37 4.06 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 4 A 7.71 4.10 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.88 3.74 0.00 1.16 1.12 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 2.00 1.48 0.00 6 E 8.40 3.90 0.00 2.04 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 2.36 2.29 0.00 7 W 7.39 4.58 0.00 3.46 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 8 Y 7.79 5.25 0.00 2.81 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 9 F 9.42 4.55 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.43 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 0.00 0.00 0.00 11 K 8.58 4.40 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 12 I 7.29 4.59 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.97 0.00 0.00 13 T 8.04 4.36 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 1.22 0.00 0.00 14 R 9.47 3.80 0.00 1.76 2.03 0.00 2.99 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.31 0.00 15 R 7.93 3.87 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 16 E 8.23 3.94 0.00 2.16 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 0.00 2.35 2.42 0.00 17 S 8.43 4.11 0.00 4.04 4.22 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 18 E 8.34 3.96 0.00 2.22 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 2.38 2.56 0.00 19 R 8.04 3.90 0.00 1.91 2.13 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 L 7.94 4.18 0.00 1.82 1.75 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.01 4.22 0.00 1.66 1.72 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.94 4.53 0.00 1.67 1.69 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.53 4.79 0.00 2.72 2.68 0.00 0.00 6.91 8.47 0.00 0.00 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 8.80 4.14 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 25 E 8.66 4.13 0.00 2.13 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 2.33 2.27 0.00 26 N 8.17 4.60 0.00 2.79 2.76 0.00 0.00 6.97 7.64 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 27 P 0.00 4.56 0.00 2.18 2.15 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 28 R 8.10 4.02 0.00 1.52 1.62 0.00 3.30 0.00 0.00 3.62 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 29 G 9.15 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 0.00 0.00 0.00 0.00 30 T 7.64 4.64 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 1.18 0.00 0.00 31 F 9.17 5.98 0.00 3.21 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 32 L 8.30 4.58 0.00 0.71 0.80 0.74 -0.11 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 33 V 9.32 5.10 2.76 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 1.28 0.00 0.00 1.03 0.00 0.00 34 R 9.29 5.11 0.00 2.04 2.00 0.00 3.01 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 35 E 8.95 4.59 0.00 1.94 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 2.59 2.48 0.00 36 S 8.40 4.26 0.00 3.91 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 37 E 9.00 4.15 0.00 1.99 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 2.31 2.29 0.00 38 T 7.82 4.55 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 39 T 7.95 4.47 4.21 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 1.18 0.00 0.00 40 K 8.67 3.99 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 G 8.78 3.67 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 0.00 0.00 0.00 42 A 7.35 4.68 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.68 5.29 0.00 3.13 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 44 C 9.40 5.38 0.00 2.91 2.85 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 45 L 9.05 5.01 0.00 1.80 1.67 0.88 0.67 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 46 S 9.03 5.26 0.00 3.80 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 47 V 8.84 5.14 2.27 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 1.18 0.00 0.00 1.09 0.00 0.00 48 S 9.38 5.03 0.00 3.92 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 49 D 9.15 5.17 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 50 F 8.80 5.62 0.00 3.09 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 51 D 7.53 4.66 0.00 2.67 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 52 N 8.72 4.07 0.00 2.70 2.89 0.00 0.00 6.87 7.35 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 53 A 7.80 3.99 1.25 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 0.00 0.00 0.00 54 K 9.31 4.16 0.00 1.58 1.78 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.31 7.81 55 G 7.71 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.51 4.90 0.00 1.92 1.70 1.08 0.91 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 57 N 9.28 5.06 0.00 2.79 2.83 0.00 0.00 5.96 8.30 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 58 V 8.22 4.92 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 0.70 0.00 0.00 0.92 0.00 0.00 59 K 8.95 4.51 0.00 1.58 1.09 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.52 7.81 60 H 8.33 5.15 0.00 2.89 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.61 4.68 0.00 2.96 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 62 K 8.84 4.62 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.51 7.81 63 I 8.98 4.65 2.15 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 1.30 0.97 1.17 0.00 0.00 64 R 8.96 4.64 0.00 0.67 1.39 0.00 3.18 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.61 0.00 65 K 8.10 4.50 0.00 1.57 1.68 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.14 1.27 7.81 66 L 8.84 4.29 0.00 1.92 1.58 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.54 4.37 0.00 2.65 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 68 S 7.93 4.30 0.00 3.86 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 69 G 8.17 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 0.00 0.00 0.00 70 G 7.89 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 0.00 0.00 0.00 71 F 9.77 5.43 0.00 3.25 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 72 Y 8.47 5.26 0.00 3.43 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 73 I 9.00 4.20 1.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.94 0.00 0.00 74 T 7.78 4.78 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 1.32 0.00 0.00 75 S 8.59 2.81 0.00 3.56 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 76 R 7.80 3.87 0.00 1.78 1.97 0.00 3.12 0.00 0.00 3.19 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 77 T 7.78 4.15 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 0.74 0.00 0.00 78 Q 7.72 4.85 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.79 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 79 F 8.76 4.86 0.00 3.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.99 4.43 0.00 3.06 2.98 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 81 S 7.78 4.51 0.00 3.71 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 82 L 7.13 3.50 0.00 0.80 1.43 0.78 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.87 4.24 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 84 Q 8.09 4.02 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 85 L 7.49 2.44 0.00 1.64 1.61 1.19 0.83 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 86 V 7.30 3.12 1.64 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 0.09 0.00 0.00 -0.09 0.00 0.00 87 A 8.17 4.00 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 88 Y 7.91 3.78 0.00 2.88 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 0.00 0.00 0.00 0.00 89 Y 7.64 4.52 0.00 2.92 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 90 S 7.29 4.91 0.00 3.81 3.81 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 91 K 7.57 4.27 0.00 1.34 1.53 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.38 7.81 92 H 7.44 4.67 0.00 2.66 3.15 0.00 5.61 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 93 A 8.71 4.04 1.25 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 0.00 0.00 0.00 94 D 7.75 4.50 0.00 3.10 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 0.00 0.00 0.00 95 G 8.93 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 96 L 7.96 3.95 0.00 1.62 1.31 0.46 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.99 4.38 0.00 3.34 3.21 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 98 H 7.16 4.47 0.00 3.29 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.69 4.13 0.00 1.92 1.92 0.00 3.26 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 100 L 8.71 3.92 0.00 0.99 0.33 0.03 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 101 T 9.27 4.63 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 1.35 0.00 0.00 102 T 8.01 4.78 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 103 V 8.23 3.46 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 0.91 0.00 0.00 0.97 0.00 0.00 104 C 8.27 4.25 0.00 2.90 2.60 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 0.00 105 P 0.00 4.61 0.00 2.11 1.98 0.00 3.74 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 2.03 2.11 0.00 106 T 8.31 4.26 4.22 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 1.19 0.00 0.00