NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3769 8.3149 120.0848 55.7250 34.4069 175.0683 4 I 4.4103 7.4400 120.5968 58.4826 40.4311 173.0046 5 R 5.5952 9.4946 125.6780 53.5458 33.4843 173.4589 6 I 5.0665 8.6078 120.0053 59.0959 40.5332 174.4912 7 K 4.5740 8.7839 125.1962 54.7734 34.3780 175.0892 8 L 5.0653 8.6200 125.7231 53.1598 43.9751 175.9731 9 R 5.1679 9.4428 122.5073 52.5732 35.0085 174.9743 10 G 3.8137 7.7600 107.1189 47.0572 0.0000 173.1634 11 F 5.1664 8.1731 116.7144 58.4393 40.1559 176.4214 12 D 4.5887 8.0006 121.7847 53.7710 41.1765 176.0135 13 H 4.4044 8.7064 122.6523 56.8355 28.8914 176.6427 14 K 3.9275 8.4462 123.7999 59.0887 32.5490 178.3124 15 T 3.9916 7.7807 109.5150 64.3512 68.8044 176.3435 16 L 4.0312 7.6767 122.3023 57.4192 42.2450 178.1127 17 D 4.4237 7.5604 117.6557 57.6985 40.6316 177.4107 18 A 4.1269 8.0313 121.8870 54.5958 18.0693 180.4234 19 S 4.3473 8.1057 109.2874 58.3111 62.9324 174.8612 20 A 4.4475 9.5207 123.0787 54.9645 20.3479 179.2722 21 Q 4.3234 7.8789 112.0387 56.5424 28.8240 175.9521 22 K 4.4028 8.5064 118.9273 57.8133 33.7261 178.1494 23 I 4.3601 7.4940 117.0779 61.8872 36.5083 176.3257 24 V 4.2463 7.8579 118.3827 64.4877 33.1737 177.3132 25 E 4.0241 8.2801 118.5425 58.6266 29.4563 177.7066 26 A 4.5210 8.0004 119.0462 51.7681 18.4542 176.8502 27 A 5.1630 8.9925 119.3859 52.2711 21.1781 179.1385 28 R 3.7974 7.8360 114.0113 59.4296 30.7015 177.9328 29 R 4.0097 8.0686 117.7009 59.5584 30.4349 178.6761 30 S 4.4694 7.5821 106.9629 58.6990 62.5285 172.7457 31 G 3.9392 8.2779 107.1088 45.2401 0.0000 173.0276 32 A 3.6607 8.3059 120.7441 49.0241 19.0403 177.6218 33 Q 4.1484 8.6718 121.9204 56.2797 30.2924 176.0966 34 V 4.6754 7.9152 118.5005 61.5268 34.6075 174.2792 35 S 4.3752 9.2234 123.7449 58.3649 63.4757 173.8753 36 G 3.9390 8.4315 113.7298 41.1513 0.0000 171.1499 37 P 4.5699 0.0000 0.0000 62.6208 31.8973 175.7836 38 I 4.3669 9.4730 121.1446 58.9771 39.4901 172.9825 39 P 5.3050 0.0000 0.0000 60.9639 32.0676 175.5110 40 L 4.6907 8.4436 124.8122 52.0220 43.5742 174.6523 41 P 4.2321 0.0000 0.0000 63.9030 31.4115 175.5369 42 T 4.4588 8.1679 116.4252 62.5494 70.4493 175.1817 43 R 4.2838 8.3915 125.1303 55.3077 30.5979 175.3206 44 V 4.2646 8.2033 124.6163 62.0197 32.6131 174.9143 45 R 4.5969 8.6167 128.8208 54.8093 32.1541 174.7355 46 R 5.2682 8.6208 125.0356 54.8913 33.1787 176.2004 47 F 4.6461 9.4869 119.4602 56.3937 42.5920 173.9641 48 T 4.9479 8.6289 121.4202 62.0447 69.5771 174.8736 49 V 4.6851 7.9761 124.9112 59.7405 35.6517 174.3109 50 I 4.1658 8.3132 115.4501 60.0849 38.2723 175.5998 51 R 3.7713 7.7103 124.8251 59.4829 30.2090 177.6450 52 G 4.0609 7.6424 105.7366 43.8400 0.0000 171.8754 53 P 4.3783 0.0000 0.0000 64.7952 31.7843 176.5316 54 F 4.4421 8.6403 120.0780 56.7769 40.6503 175.2905 55 K 4.5540 6.3858 124.7825 54.9307 31.5077 174.9143 56 H 4.8680 8.5836 119.8428 56.3823 31.3371 176.3291 57 K 3.9710 8.0547 121.4281 58.7949 33.1974 175.3774 58 D 4.6696 7.7073 119.6201 55.7275 42.1127 177.6932 59 S 3.5209 7.8090 109.0234 60.7974 60.4350 171.5746 60 R 4.8321 7.7057 134.8636 55.7556 30.9888 177.1159 61 E 5.1699 7.3507 127.6867 57.1990 32.7654 175.7410 62 H 4.7116 8.3789 122.0350 53.5386 31.2856 173.1974 63 F 5.1801 8.2552 114.0926 55.7310 42.0450 172.7703 64 E 5.3800 8.6040 116.9483 55.2863 32.6826 175.5485 65 L 4.2428 8.7670 121.5162 54.8208 44.1962 174.7871 66 R 4.4537 8.4424 124.9360 55.7898 31.9449 175.7265 67 T 5.0797 8.6681 121.1638 62.1804 69.2603 173.4465 68 H 4.6260 9.2571 124.1382 55.6939 29.8521 174.2997 69 N 5.3501 8.6335 117.8120 51.8947 42.8828 173.7552 70 R 5.0142 8.7587 120.1121 55.1771 35.1467 173.8493 71 L 5.2321 9.7062 126.9362 53.4741 45.7506 175.1837 72 V 4.7607 8.2347 122.8352 61.6607 35.5143 172.9468 73 D 5.5724 8.5151 127.0425 52.4010 44.8561 175.1800 74 I 4.2404 7.9444 116.2741 59.8504 38.5852 175.8830 75 I 3.2549 7.8926 118.0105 61.8795 37.0998 174.3812 76 N 5.0126 7.8274 121.2617 49.6872 41.4304 172.2617 77 P 4.2275 0.0000 0.0000 63.4636 30.8033 175.4317 78 N 4.9044 8.0674 120.4275 51.9942 40.8073 176.5195 79 R 4.2201 8.2375 117.9235 58.3981 30.8446 178.9081 80 K 4.2279 8.0009 118.7894 59.1385 31.9415 178.0905 81 T 4.1436 7.8064 110.2821 64.4267 69.0222 176.4730 82 I 3.7948 7.4735 123.5833 62.5785 37.6267 177.2745 83 E 3.9114 8.7807 120.8247 57.6713 28.8580 178.2069 84 Q 3.4295 6.1802 111.4493 59.0199 29.5066 178.4363 85 L 3.4554 7.0091 126.4420 58.4553 42.5984 178.8314 86 M 4.2714 7.9801 117.2111 57.7423 32.2868 177.0307 87 T 4.8412 8.5604 107.8500 61.3727 70.0623 174.2785 88 L 4.6363 7.8400 120.8633 54.7667 41.3155 175.9470 89 D 4.7406 7.5719 120.3335 53.7478 42.3233 177.6955 90 L 4.3663 8.1571 127.6944 53.7000 42.3694 174.6307 91 P 4.6148 0.0000 0.0000 60.9139 31.2158 174.9008 92 T 3.9145 8.4637 118.4103 64.5925 67.7008 175.6830 93 G 4.2179 7.6159 108.5514 45.3130 0.0000 171.4520 94 V 4.4838 7.6200 116.8424 60.7263 35.4372 174.4519 95 E 4.8050 8.8158 124.2447 54.4040 32.9441 174.0307 96 I 5.6947 8.3527 118.9601 58.3944 40.7991 174.3767 97 E 4.8061 8.5952 121.7937 54.5591 33.5873 174.3337 98 I 4.7197 8.2873 122.4197 59.2666 40.1785 174.6926 99 K 4.6555 8.8709 127.3021 55.6866 37.0510 175.5846 100 T 4.8104 8.2421 120.8555 62.5093 69.5538 175.1382 *101 V 3.8961 7.8695 121.3244 60.7493 32.4044 175.8952 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 K 8.31 4.38 0.00 1.66 1.93 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.78 7.81 4 I 7.44 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.40 0.96 0.00 0.00 5 R 9.49 5.60 0.00 1.80 1.83 0.00 3.09 0.00 0.00 3.31 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 6 I 8.61 5.07 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.90 0.00 0.00 7 K 8.78 4.57 0.00 1.67 1.74 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.53 7.81 8 L 8.62 5.07 0.00 1.91 1.55 0.91 0.73 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 9 R 9.44 5.17 0.00 1.59 1.69 0.00 3.25 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.30 0.00 10 G 7.76 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 0.00 0.00 0.00 11 F 8.17 5.17 0.00 3.09 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 12 D 8.00 4.59 0.00 2.76 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 13 H 8.71 4.40 0.00 3.25 3.05 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.45 3.93 0.00 1.59 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 15 T 7.78 3.99 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 1.23 0.00 0.00 16 L 7.68 4.03 0.00 1.81 1.75 0.92 1.26 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 17 D 7.56 4.42 0.00 3.20 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 18 A 8.03 4.13 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 19 S 8.11 4.35 0.00 4.01 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 20 A 9.52 4.45 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 21 Q 7.88 4.32 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 22 K 8.51 4.40 0.00 1.94 1.72 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.50 7.81 23 I 7.49 4.36 1.86 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 1.29 0.78 0.90 0.00 0.00 24 V 7.86 4.25 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 1.00 0.00 0.00 1.01 0.00 0.00 25 E 8.28 4.02 0.00 1.99 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 2.32 2.32 0.00 26 A 8.00 4.52 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 27 A 8.99 5.16 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 28 R 7.84 3.80 0.00 1.87 1.99 0.00 3.23 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 29 R 8.07 4.01 0.00 1.84 1.93 0.00 3.18 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 30 S 7.58 4.47 0.00 4.09 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 31 G 8.28 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 32 A 8.31 3.66 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 33 Q 8.67 4.15 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 34 V 7.92 4.68 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 0.86 0.00 0.00 0.93 0.00 0.00 35 S 9.22 4.38 0.00 3.92 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 36 G 8.43 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 37 P 0.00 4.57 0.00 1.95 2.03 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 38 I 9.47 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.91 0.00 0.00 39 P 0.00 5.30 0.00 2.11 2.13 0.00 3.36 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 40 L 8.44 4.69 0.00 1.56 1.64 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.23 0.00 2.17 2.10 0.00 3.76 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 2.01 2.03 0.00 42 T 8.17 4.46 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 1.15 0.00 0.00 43 R 8.39 4.28 0.00 1.73 1.93 0.00 3.29 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 44 V 8.20 4.26 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 0.76 0.00 0.00 0.93 0.00 0.00 45 R 8.62 4.60 0.00 1.92 1.99 0.00 3.26 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 46 R 8.62 5.27 0.00 1.71 1.85 0.00 3.18 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 47 F 9.49 4.65 0.00 3.35 3.15 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 48 T 8.63 4.95 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 49 V 7.98 4.69 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 0.84 0.00 0.00 0.97 0.00 0.00 50 I 8.31 4.17 1.86 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 1.41 0.88 0.89 0.00 0.00 51 R 7.71 3.77 0.00 2.03 2.03 0.00 3.30 0.00 0.00 3.22 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 52 G 7.64 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 53 P 0.00 4.38 0.00 2.29 2.24 0.00 3.83 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 2.10 2.01 0.00 54 F 8.64 4.44 0.00 2.98 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 55 K 6.39 4.55 0.00 1.66 1.70 0.00 0.75 0.00 0.00 1.06 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.28 7.81 56 H 8.58 4.87 0.00 3.18 3.22 0.00 5.66 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.05 3.97 0.00 1.66 1.84 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.56 7.81 58 D 7.71 4.67 0.00 2.67 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 59 S 7.81 3.52 0.00 3.91 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 0.00 60 R 7.71 4.83 0.00 1.66 1.88 0.00 3.28 0.00 0.00 3.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 61 E 7.35 5.17 0.00 1.79 1.73 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 1.78 1.95 0.00 62 H 8.38 4.71 0.00 3.11 3.08 0.00 5.54 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 63 F 8.26 5.18 0.00 3.00 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 64 E 8.60 5.38 0.00 2.08 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 2.24 2.31 0.00 65 L 8.77 4.24 0.00 1.59 1.59 0.19 1.05 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 66 R 8.44 4.45 0.00 1.81 1.70 0.00 3.17 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 67 T 8.67 5.08 4.34 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 1.24 0.00 0.00 68 H 9.26 4.63 0.00 3.19 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.63 5.35 0.00 2.61 2.67 0.00 0.00 6.82 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 70 R 8.76 5.01 0.00 1.74 1.78 0.00 3.09 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 71 L 9.71 5.23 0.00 1.61 1.60 1.01 0.64 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 72 V 8.23 4.76 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 0.93 0.00 0.00 73 D 8.52 5.57 0.00 2.62 2.50 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 74 I 7.94 4.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.91 0.00 0.00 75 I 7.89 3.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.95 0.00 0.00 76 N 7.83 5.01 0.00 2.70 2.72 0.00 0.00 6.95 7.69 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 77 P 0.00 4.23 0.00 2.21 2.09 0.00 3.80 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 1.98 1.99 0.00 78 N 8.07 4.90 0.00 2.87 2.76 0.00 0.00 6.66 7.54 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 79 R 8.24 4.22 0.00 1.81 1.96 0.00 3.29 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 80 K 8.00 4.23 0.00 1.82 2.02 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.50 7.81 81 T 7.81 4.14 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 1.33 0.00 0.00 82 I 7.47 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.80 0.91 0.00 0.00 83 E 8.78 3.91 0.00 2.20 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 2.30 2.34 0.00 84 Q 6.18 3.43 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 85 L 7.01 3.46 0.00 1.75 1.77 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.98 4.27 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 87 T 8.56 4.84 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 88 L 7.84 4.64 0.00 1.66 1.61 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.57 4.74 0.00 2.74 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 90 L 8.16 4.37 0.00 1.51 1.54 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.61 0.00 2.33 2.05 0.00 3.82 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.46 3.91 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 93 G 7.62 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 0.00 0.00 0.00 94 V 7.62 4.48 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 0.78 0.00 0.00 0.90 0.00 0.00 95 E 8.82 4.81 0.00 2.00 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 2.14 2.24 0.00 96 I 8.35 5.69 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.89 0.00 0.00 97 E 8.60 4.81 0.00 1.85 1.82 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 0.00 2.26 2.19 0.00 98 I 8.29 4.72 1.86 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 1.34 0.75 0.91 0.00 0.00 99 K 8.87 4.66 0.00 1.68 1.61 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.56 7.81 100 T 8.24 4.81 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 1.33 0.00 0.00 *101 V 7.87 3.90 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.