NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7433 8.4093 119.2074 53.6907 40.0801 173.4060 4 T 4.7130 8.2638 114.6159 57.7517 72.1711 172.4066 5 T 4.5127 9.0431 114.6271 60.6159 72.2806 176.5096 6 Y 3.9236 8.5587 121.9410 60.9977 38.7520 178.5083 7 V 3.6686 7.9367 118.4456 66.1786 31.8325 177.8002 8 Q 4.1065 8.1019 117.6145 59.1960 28.4930 178.7634 9 E 4.1284 8.2071 119.3782 59.1427 29.4898 178.4397 10 Y 3.6719 8.1329 120.1754 61.2263 38.7822 178.3089 11 H 4.3172 8.4139 116.5734 58.5506 28.6128 177.7055 12 A 4.0039 7.9364 122.4667 55.3007 18.1877 179.8109 13 I 3.3356 7.5875 118.5606 64.2720 36.9784 178.7440 14 V 3.2649 7.6596 119.5102 65.8934 31.0088 177.5330 15 E 3.8066 7.8160 118.0430 59.2348 29.3296 178.8855 16 V 3.6618 7.4694 118.0244 66.1047 31.7228 178.1809 17 L 3.7515 7.9450 118.9454 57.4522 41.3170 179.2785 18 S 4.0938 8.6814 113.8485 61.4140 62.2367 176.3662 19 K 3.9864 7.7629 120.6786 59.5511 31.7636 178.6435 20 Y 4.1969 7.9412 119.1775 60.8931 38.8755 177.7062 21 N 4.1555 8.2752 117.3724 56.1601 38.5558 177.1389 22 E 3.9979 8.7492 121.2134 59.2417 29.7943 178.9058 23 G 3.7553 8.5530 106.3899 47.9087 0.0000 175.8648 24 G 3.5061 8.0491 108.0679 47.3106 0.0000 175.8353 25 K 4.0447 8.1941 122.1246 58.9597 32.0828 178.3425 26 K 4.1752 8.3702 115.9199 55.5659 33.0568 176.2743 27 A 3.7528 7.6633 121.8416 53.1023 16.5440 178.3082 28 D 4.5857 8.2645 120.4720 52.5705 42.9702 175.6697 29 S 4.1075 9.3140 123.4829 61.1659 63.1293 176.3664 30 T 3.8065 7.7147 110.4614 64.3942 68.5646 175.7788 31 I 3.8235 7.2347 119.5603 62.2327 36.7826 176.5608 *33 R 4.1305 8.0569 122.8748 55.9173 31.2340 175.7281 34 P 4.4181 0.0000 0.0000 64.6496 31.6158 177.0722 35 A 4.1382 8.1313 119.8425 53.5036 19.4492 176.9077 36 F 5.3187 8.1033 114.0533 55.3517 41.4971 176.0587 37 S 4.4481 9.0971 118.3385 58.2659 62.9048 175.3781 38 S 4.2593 9.0240 120.0694 61.0789 62.6829 175.0082 39 Q 4.3800 7.9751 117.8897 55.5604 29.0658 175.5555 40 A 5.1159 8.1291 121.6017 51.6771 19.7629 177.0273 41 T 4.8795 8.4692 109.4867 59.7312 72.8906 172.4329 42 I 4.9613 8.0926 122.1919 59.3460 41.2851 174.1288 43 F 5.3779 9.1684 126.5320 56.4372 43.9328 174.1788 44 G 3.5157 9.1157 107.4866 45.2527 0.0000 170.9586 45 V 5.0030 8.0234 119.0384 61.1486 34.1721 176.1665 46 D 4.8663 8.9526 127.8167 51.8724 41.4711 177.2634 47 V 3.7157 8.3299 117.5096 64.5691 30.7123 176.3752 48 D 4.6830 8.6642 120.0620 53.7023 40.6086 176.5107 49 N 4.1433 8.0995 114.6619 54.1460 36.7876 174.0537 50 K 4.5358 7.3867 114.0321 54.1222 33.9793 176.0114 51 L 4.4204 8.3638 124.3489 55.6174 42.6411 176.2578 52 T 4.7247 9.9718 120.1330 59.9252 70.8266 173.3824 53 G 3.3698 9.2270 114.6673 45.8718 0.0000 171.7830 54 G 3.5330 6.6817 109.7816 44.2179 0.0000 170.2528 55 P 4.4718 0.0000 0.0000 62.9181 32.0581 177.1506 56 I 3.1563 8.0749 121.4299 63.6115 37.6450 177.8296 57 Q 3.8601 7.9813 120.3568 59.4393 28.5398 178.8870 58 G 3.4829 7.8711 106.3756 47.4603 0.0000 175.4598 59 L 3.6338 7.3995 122.5205 57.9475 42.0104 179.0357 60 F 4.3851 7.3213 117.1673 60.7646 38.7262 177.2573 61 D 4.3180 8.1850 118.5028 57.2257 40.5148 178.9443 62 V 3.5082 7.4420 118.3049 66.0069 30.0902 178.0307 63 I 3.1742 7.5067 119.4644 64.5298 36.7156 178.2028 64 D 4.6821 8.1693 118.4249 56.4025 40.8525 177.5722 65 N 4.8892 8.3494 114.2652 52.8143 39.9885 175.2355 66 V 4.2625 7.8912 118.4644 64.2715 33.4441 176.1786 67 F 4.5102 7.6416 116.4001 57.7630 39.3754 174.0672 68 H 5.1744 8.3305 118.9686 53.0108 32.6648 171.8202 69 P 4.4395 0.0000 0.0000 63.8934 31.9158 176.9898 70 S 4.6886 9.2488 120.5575 55.5976 63.3779 172.8965 71 P 4.2762 0.0000 0.0000 65.2225 31.4890 177.9827 72 E 4.2533 8.0585 115.6339 56.2575 29.8125 176.1721 73 A 4.5445 7.5537 122.0767 51.6722 19.1758 177.4544 74 K 4.6606 9.0629 120.8025 54.4899 35.6595 175.2484 75 A 5.3768 8.8594 125.9147 50.0103 22.0739 175.1502 76 A 4.5706 9.0217 122.2851 50.2212 22.0354 175.8644 77 I 4.3715 8.6292 124.0922 60.6512 35.8890 175.6490 78 A 4.2555 8.7169 129.7581 54.7406 19.1017 177.8040 79 R 4.6951 7.7597 113.4710 55.3785 33.8713 174.0816 80 I 4.9459 8.5153 125.7550 59.8256 40.2898 174.2398 81 D 5.1214 9.1267 128.0427 52.2027 42.8329 175.9098 82 I 4.8134 8.5538 123.0775 59.5494 40.7946 175.1760 83 V 4.3284 8.9258 127.0111 61.4694 34.4617 177.1532 84 G 3.9588 8.8290 119.8065 47.2486 0.0000 173.4380 85 T 4.0230 8.9091 115.9873 61.3118 69.6009 173.5974 86 A 5.6128 8.3256 124.2266 50.7058 22.5210 175.1368 87 A 5.0614 9.1749 120.6294 50.7321 23.3502 175.1822 88 S 5.3298 9.0722 113.9527 56.5109 65.7997 172.8718 89 A 5.3155 9.1590 126.5352 50.2185 23.1225 174.6184 90 R 5.1227 9.1255 120.3104 54.5995 33.2676 174.5554 91 I 5.1376 8.8508 126.4326 59.6978 40.9456 173.9554 92 D 5.5159 9.1537 126.6839 52.9812 43.6457 175.5927 93 T 5.1709 9.0707 118.7814 62.1158 72.6613 172.5613 94 D 4.9557 9.2101 126.5675 53.0272 43.2006 176.3129 95 D 4.2653 8.4197 119.7952 55.7209 38.0768 174.0632 96 I 4.2684 7.8961 119.8823 60.0015 38.9928 175.2858 97 S 3.5536 9.5596 126.9184 59.5665 60.7515 173.7377 98 G 3.5956 8.1483 105.2627 45.3407 0.0000 173.4453 99 F 4.7801 7.8209 118.4730 55.3205 42.4401 174.5620 100 R 4.9589 8.1373 120.7021 54.7118 32.7116 174.0869 101 F 5.7079 9.2802 124.7639 56.0743 43.2524 174.2196 102 T 5.0155 8.9927 117.8835 62.0157 71.1087 172.9875 103 D 5.3463 9.2757 126.2135 52.4136 44.2790 175.1253 104 F 5.4684 8.8921 120.7287 55.7657 42.3951 174.3359 105 F 5.3221 9.6046 121.5657 55.7976 42.6838 173.6095 106 N 5.4623 9.2193 120.6068 51.7444 40.7100 174.0310 107 L 5.4346 9.2012 123.1996 52.9866 45.9951 175.5380 108 L 5.3213 8.9032 120.9210 53.0039 45.8985 176.1057 109 K 3.8294 8.2495 124.5344 54.9341 31.7023 175.1655 110 V 4.0113 8.4911 127.2704 61.5857 32.4276 175.8000 111 E 3.8024 9.7182 128.1292 57.4822 26.8166 175.8537 112 G 3.8825 8.4315 105.6070 44.9808 0.0000 173.8854 113 K 4.6138 7.5531 119.2149 53.9933 35.5321 175.7638 114 W 4.7186 8.7511 124.3957 57.0423 30.1226 175.6132 115 T 4.6895 8.9737 117.6283 60.4094 70.9853 172.7383 116 V 4.3728 8.8223 128.9785 63.0681 32.3352 176.5998 117 V 4.3644 9.0156 120.2602 61.8401 34.1724 175.6028 118 S 5.0943 7.9745 115.0202 56.7737 66.0742 172.4313 119 K 4.8284 9.2015 128.5156 54.4200 34.8529 174.7191 120 I 5.7634 8.7834 119.9257 58.5847 41.1258 173.6739 121 Y 5.3498 7.7543 119.3663 55.9581 41.3604 173.3411 122 H 4.9987 9.6061 120.6609 54.8120 32.9263 172.3950 123 T 4.9128 8.4879 122.2517 62.6899 69.4370 174.2691 124 H 4.7096 9.0279 124.9627 54.2130 30.1665 174.0179 125 P 4.4187 0.0000 0.0000 63.1684 31.3914 176.1819 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 N 8.41 4.74 0.00 2.69 2.82 0.00 0.00 6.78 6.82 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 4 T 8.26 4.71 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 1.27 0.00 0.00 5 T 9.04 4.51 4.32 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 1.31 0.00 0.00 6 Y 8.56 3.92 0.00 3.12 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 7 V 7.94 3.67 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 1.14 0.00 0.00 0.97 0.00 0.00 8 Q 8.10 4.11 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 9 E 8.21 4.13 0.00 1.87 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 2.60 2.60 0.00 10 Y 8.13 3.67 0.00 2.83 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 11 H 8.41 4.32 0.00 3.30 3.36 0.00 5.68 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 12 A 7.94 4.00 1.52 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 0.00 0.00 13 I 7.59 3.34 1.23 0.00 0.00 -0.66 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 -0.36 0.42 0.00 0.00 14 V 7.66 3.26 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 0.91 0.00 0.00 0.12 0.00 0.00 15 E 7.82 3.81 0.00 2.00 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 2.32 2.31 0.00 16 V 7.47 3.66 2.11 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 0.82 0.00 0.00 1.04 0.00 0.00 17 L 7.94 3.75 0.00 1.47 1.45 0.56 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.68 4.09 0.00 3.87 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 19 K 7.76 3.99 0.00 2.04 2.06 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 20 Y 7.94 4.20 0.00 3.07 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 21 N 8.28 4.16 0.00 2.96 2.86 0.00 0.00 6.73 7.01 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 22 E 8.75 4.00 0.00 2.03 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 2.30 2.32 0.00 23 G 8.55 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 24 G 8.05 3.51 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 0.00 0.00 0.00 25 K 8.19 4.04 0.00 2.01 1.95 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 26 K 8.37 4.18 0.00 1.84 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.55 7.81 27 A 7.66 3.75 1.38 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 28 D 8.26 4.59 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.31 4.11 0.00 3.82 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 3.81 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 1.17 0.00 0.00 31 I 7.23 3.82 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.98 0.00 0.00 *33 R 8.06 4.13 0.00 1.54 1.77 0.00 2.98 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 34 P 0.00 4.42 0.00 2.09 2.10 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 35 A 8.13 4.14 1.10 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 36 F 8.10 5.32 0.00 3.24 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 37 S 9.10 4.45 0.00 3.97 3.89 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 38 S 9.02 4.26 0.00 4.05 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 39 Q 7.98 4.38 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 40 A 8.13 5.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.88 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 1.23 0.00 0.00 42 I 8.09 4.96 1.59 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.87 0.57 0.00 0.00 43 F 9.17 5.38 0.00 2.92 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 44 G 9.12 3.52 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 0.00 0.00 0.00 45 V 8.02 5.00 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 0.86 0.00 0.00 0.88 0.00 0.00 46 D 8.95 4.87 0.00 2.95 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 47 V 8.33 3.72 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.66 4.68 0.00 2.87 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 49 N 8.10 4.14 0.00 2.89 2.91 0.00 0.00 6.80 6.92 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 50 K 7.39 4.54 0.00 2.15 1.71 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.55 7.81 51 L 8.36 4.42 0.00 1.51 1.55 0.80 0.44 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 52 T 9.97 4.72 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 1.34 0.00 0.00 53 G 9.23 3.37 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 0.00 54 G 6.68 3.53 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 0.00 0.00 0.00 55 P 0.00 4.47 0.00 2.06 1.92 0.00 3.49 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 56 I 8.07 3.16 1.58 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 0.12 -0.34 0.61 0.00 0.00 57 Q 7.98 3.86 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 58 G 7.87 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.40 3.63 0.00 1.35 1.14 0.60 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.32 4.39 0.00 3.10 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 61 D 8.19 4.32 0.00 2.78 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 62 V 7.44 3.51 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 0.87 0.00 0.00 0.85 0.00 0.00 63 I 7.51 3.17 1.93 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.87 0.00 0.00 64 D 8.17 4.68 0.00 2.69 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 65 N 8.35 4.89 0.00 2.78 2.85 0.00 0.00 6.77 8.48 0.00 0.00 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 V 7.89 4.26 2.46 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 1.06 0.00 0.00 1.00 0.00 0.00 67 F 7.64 4.51 0.00 3.28 3.01 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 68 H 8.33 5.17 0.00 3.02 3.16 0.00 5.68 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 69 P 0.00 4.44 0.00 1.96 2.04 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 70 S 9.25 4.69 0.00 3.72 3.87 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 71 P 0.00 4.28 0.00 2.17 2.19 0.00 3.75 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 1.98 1.99 0.00 72 E 8.06 4.25 0.00 1.96 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 0.00 2.28 2.23 0.00 73 A 7.55 4.54 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 74 K 9.06 4.66 0.00 1.71 1.70 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 75 A 8.86 5.38 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 76 A 9.02 4.57 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 77 I 8.63 4.37 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.84 0.00 0.00 78 A 8.72 4.26 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 79 R 7.76 4.70 0.00 1.96 1.84 0.00 3.46 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 80 I 8.52 4.95 1.95 0.00 0.00 0.20 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 0.76 0.63 0.00 0.00 81 D 9.13 5.12 0.00 2.69 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 82 I 8.55 4.81 1.37 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.22 0.78 0.00 0.00 83 V 8.93 4.33 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 1.04 0.00 0.00 1.02 0.00 0.00 84 G 8.83 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 0.00 0.00 0.00 85 T 8.91 4.02 4.08 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 1.12 0.00 0.00 86 A 8.33 5.61 1.33 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 87 A 9.17 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.07 5.33 0.00 3.91 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 89 A 9.16 5.32 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 0.00 0.00 0.00 0.00 0.00 90 R 9.13 5.12 0.00 2.15 1.89 0.00 3.26 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 0.00 91 I 8.85 5.14 2.18 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 1.14 0.00 0.00 92 D 9.15 5.52 0.00 2.69 2.59 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 93 T 9.07 5.17 4.52 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 1.40 0.00 0.00 94 D 9.21 4.96 0.00 2.59 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 95 D 8.42 4.27 0.00 2.86 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 96 I 7.90 4.27 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 1.34 0.00 0.00 97 S 9.56 3.55 0.00 2.96 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 98 G 8.15 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 99 F 7.82 4.78 0.00 2.73 1.79 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 0.00 100 R 8.14 4.96 0.00 1.76 1.68 0.00 3.08 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.82 0.00 101 F 9.28 5.71 0.00 3.10 2.93 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 0.00 102 T 8.99 5.02 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 0.95 0.00 0.00 103 D 9.28 5.35 0.00 2.58 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 0.00 104 F 8.89 5.47 0.00 2.89 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 0.00 105 F 9.60 5.32 0.00 2.87 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 0.00 106 N 9.22 5.46 0.00 2.70 2.80 0.00 0.00 6.55 7.09 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 0.00 107 L 9.20 5.43 0.00 1.69 1.87 0.84 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.90 5.32 0.00 1.58 1.47 0.95 0.72 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 0.00 109 K 8.25 3.83 0.00 0.79 0.94 0.00 1.21 0.00 0.00 1.23 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.76 0.21 7.81 110 V 8.49 4.01 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 0.89 0.00 0.00 0.93 0.00 0.00 111 E 9.72 3.80 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 2.17 2.24 0.00 112 G 8.43 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 0.00 0.00 0.00 113 K 7.55 4.61 0.00 1.68 1.65 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.41 7.81 114 W 8.75 4.72 0.00 3.13 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 0.00 115 T 8.97 4.69 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 1.24 0.00 0.00 116 V 8.82 4.37 1.69 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 1.28 0.00 0.00 0.55 0.00 0.00 117 V 9.02 4.36 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 0.70 0.00 0.00 1.05 0.00 0.00 118 S 7.97 5.09 0.00 3.93 3.72 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 0.00 119 K 9.20 4.83 0.00 1.58 1.51 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.05 0.35 7.81 120 I 8.78 5.76 1.89 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 1.02 1.10 1.00 0.00 0.00 121 Y 7.75 5.35 0.00 2.97 2.91 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 0.00 122 H 9.61 5.00 0.00 3.24 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.49 4.91 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 1.23 0.00 0.00 124 H 9.03 4.71 0.00 3.08 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.42 0.00 2.20 2.06 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.