NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4433 8.3049 120.3495 55.0039 33.8299 175.4153 2 N 4.8082 8.0284 112.8279 53.5865 39.9231 174.2837 3 R 4.4319 8.3542 114.6309 57.5071 36.0472 178.8652 4 G 3.2793 8.5467 105.4529 45.4961 0.0000 176.9133 5 A 3.6118 9.0105 134.4898 54.2300 18.8713 178.7659 6 L 4.1616 8.9934 117.8666 56.5615 42.5908 178.0181 7 I 4.0588 8.6248 120.7570 64.3455 37.1209 178.0817 8 K 4.9712 7.8664 120.0462 58.5947 31.7371 178.5049 9 L 4.2061 7.3721 117.4796 55.2700 41.4616 178.1639 10 V 4.0398 7.5786 119.2213 64.8542 32.2959 177.4655 11 E 4.1453 7.5562 117.6186 58.7683 29.1787 179.4779 12 S 4.0432 7.8494 113.2829 59.1047 62.3305 174.9804 13 R 4.2075 8.0987 119.5322 56.7094 29.3086 176.7905 14 Y 4.5357 7.4081 113.1920 57.1070 40.7202 176.7807 15 V 3.4262 6.8028 118.3201 61.5866 32.1771 176.0131 16 R 4.8170 7.4040 119.7009 57.4974 32.6379 175.9206 17 T 4.3861 7.5526 119.3496 62.9939 70.2638 173.7243 18 D 4.6989 8.3429 117.0772 52.6263 39.7879 175.6895 19 L 4.4796 7.5071 120.4128 52.6465 42.1694 174.5134 20 P 4.1854 0.0000 0.0000 63.2345 31.7296 176.8000 21 E 3.8860 8.3407 123.6670 54.8083 28.7301 176.7143 22 F 5.5982 6.6125 125.2073 55.9833 39.0641 176.1176 23 R 4.9081 9.5409 120.1246 56.7698 30.8532 174.2100 24 P 4.4406 0.0000 0.0000 64.2562 27.5460 174.3939 25 G 4.7340 8.1535 116.3549 44.2821 0.0000 173.2072 26 D 4.7710 8.4691 118.9244 51.9895 41.3955 173.6973 27 T 4.7145 7.3145 118.9793 61.1935 70.3065 172.1903 28 V 4.6489 7.5777 118.7377 62.9312 33.8804 171.9342 29 R 4.4978 8.6836 124.2893 55.4270 32.1547 174.4155 30 V 4.6619 8.2008 115.4208 61.7746 33.0090 174.7352 31 S 4.8007 8.7603 114.7241 58.5659 66.2129 176.9915 32 Y 4.1155 7.9809 111.0247 57.0770 38.1163 178.7296 33 K 4.3249 8.6285 111.5016 56.7710 28.4226 174.0731 34 V 3.7011 7.1586 118.4281 62.6812 32.0166 175.2168 35 K 4.3561 8.8179 124.9699 56.7993 35.2998 174.9194 36 E 3.4727 9.0972 117.9722 58.2309 26.0626 175.2980 37 G 4.2082 8.2428 113.9730 45.6776 0.0000 171.0332 38 N 4.3469 7.3851 115.5024 52.4893 40.4549 174.2180 39 R 4.9390 8.4864 120.4219 54.9123 28.8700 174.7412 40 T 4.5643 6.8918 109.0836 60.3485 72.5361 169.8911 41 R 3.7504 8.6928 128.7607 55.6943 31.0685 175.1357 42 I 5.4736 8.1614 117.9700 58.5955 39.2472 174.8171 43 Q 4.2484 8.3193 129.4908 56.0760 30.2894 175.7217 44 D 5.0735 8.4725 125.6653 53.7589 43.3851 176.1871 45 F 4.5348 8.0147 115.3047 57.8064 40.1748 175.1145 46 E 4.1425 7.8471 122.4030 56.9472 28.8239 176.0999 47 G 4.2488 8.1293 111.8590 45.4343 0.0000 169.2414 48 I 4.6747 8.6827 114.0823 59.2523 40.5006 174.8671 49 V 4.2393 7.5248 119.9854 60.9071 32.6633 174.1467 50 I 3.9273 8.8336 123.1804 61.8922 39.5527 176.7727 51 R 4.2632 6.7895 116.6541 56.3674 32.1875 176.5803 52 I 4.4256 7.9756 120.3737 59.8156 39.4670 175.9594 53 R 4.3788 8.2431 131.6696 54.9188 27.7257 176.8111 54 R 4.0799 7.7156 117.3845 57.1388 31.3737 178.2438 55 N 4.9158 8.7171 123.1215 52.6024 41.0335 175.9214 56 G 3.9226 8.6172 112.5589 46.3629 0.0000 173.8499 57 F 4.4027 9.2715 122.2158 61.4947 39.9682 174.0337 58 N 4.2210 7.8051 120.9319 52.4789 37.4307 176.2247 59 T 4.7491 8.0076 109.0967 62.9741 69.8627 174.5986 60 T 5.2445 8.7276 114.9849 58.4824 70.8503 173.3124 61 F 5.0856 9.2606 125.0917 57.1716 40.4803 173.8611 62 T 4.3768 8.3739 107.2943 59.9815 72.1238 173.1123 63 V 4.7643 7.9549 123.8927 61.3826 34.5564 174.2732 64 R 5.7824 9.2562 126.1681 53.7586 34.0044 173.6406 65 K 4.3220 7.9839 122.6262 56.4148 35.5418 173.8783 66 V 5.1237 8.3471 118.9194 59.2534 31.3220 174.0629 67 S 4.1047 8.1788 119.2500 58.2308 62.6917 174.8586 68 Y 3.9710 7.9889 119.6540 57.3512 36.3117 170.6920 69 G 3.9389 8.6434 109.1916 46.8844 0.0000 173.0537 70 V 4.5122 10.2913 119.1245 60.7481 35.2731 174.3813 71 G 4.4691 8.5701 111.4143 44.8797 0.0000 173.2460 72 V 4.7400 8.7686 122.4341 61.0205 35.6832 174.0575 73 E 5.1477 8.7382 124.6729 55.2150 32.8765 175.2982 74 R 4.3099 8.9996 124.0438 54.6405 33.1494 175.2133 75 I 4.3350 6.9612 119.0912 59.6555 41.4339 175.0493 76 F 5.0644 8.1594 123.1621 55.2193 41.6977 174.3150 77 P 4.1016 0.0000 0.0000 64.1714 31.2780 177.1781 78 L 4.1347 8.8278 117.9666 54.7819 41.1967 173.3397 79 H 5.0422 7.6588 113.2303 55.7737 33.8558 170.1784 80 S 4.4906 9.6750 120.3478 56.8324 58.7804 167.9101 81 P 4.0686 0.0000 0.0000 65.4961 31.8040 174.6731 82 L 3.7962 7.5368 117.7633 55.4035 41.4058 177.3252 83 I 4.3647 7.6138 124.2352 61.0058 40.2081 174.9860 84 Q 3.9097 8.2933 120.5630 55.1049 30.5898 178.3457 85 K 4.5150 8.3231 117.2014 55.5126 33.5182 176.1384 86 I 3.5041 8.0677 118.3322 61.5665 38.0098 174.7334 87 D 4.8483 8.4248 126.7713 53.6151 40.8691 175.5961 88 I 3.7712 8.5832 121.0060 62.1557 36.6461 177.4720 89 V 4.2608 6.2166 126.9475 61.4075 31.7468 175.7467 90 Q 3.5435 8.5830 123.7337 59.4700 29.1079 181.4628 91 R 3.5839 9.6838 114.7485 53.4698 31.0717 178.9396 92 G 3.6293 8.7019 110.7471 44.4361 0.0000 174.0897 93 R 3.7405 9.1067 112.8196 56.5682 28.6475 177.2843 94 A 4.3394 7.4622 121.4704 52.3443 16.2167 180.2316 95 R 4.2987 8.3043 119.7041 56.2437 29.6304 176.8357 96 R 4.4884 8.7116 115.9229 55.4086 33.6961 173.3692 97 A 3.9399 8.5947 126.4560 54.2073 17.8391 179.1695 98 K 4.2372 8.6052 125.5625 55.5297 31.5452 176.3890 99 L 4.9755 8.1164 125.5296 56.0491 41.3013 179.0800 100 Y 4.1412 8.3638 120.4178 61.8888 37.5997 178.7464 101 F 4.2762 9.0581 115.0872 60.0564 37.7193 177.5257 102 I 3.5427 5.9252 113.4624 63.3464 38.0586 177.0129 103 R 3.7700 8.5941 117.6435 58.4153 29.2059 177.8391 104 N 4.1756 5.7700 126.5052 56.6031 40.1846 175.8235 105 L 4.6544 8.0620 117.8333 53.6040 43.4914 174.1639 106 S 4.7142 8.6014 115.4617 56.8078 67.0418 172.4495 107 D 5.1707 7.7907 123.3929 52.4042 34.0200 179.0480 108 R 4.4910 8.7862 119.2374 56.1431 30.7904 177.6944 109 E 4.1623 9.0668 118.5368 59.1225 29.1874 177.5591 110 I 3.6286 6.7255 118.3691 64.9395 37.6163 176.4223 111 R 4.6574 7.6833 123.5891 54.6106 27.4780 175.0254 112 R 4.5470 7.6443 127.7055 56.8847 31.8176 176.2409 113 K 4.4754 8.4957 116.7589 56.6362 33.7450 176.5547 114 L 4.7777 7.5560 117.0491 52.9576 41.8217 175.4374 115 R 4.2373 7.7058 119.7613 54.8999 31.8570 176.2275 116 A 4.1464 8.3466 121.9182 52.6743 19.1748 177.9784 117 D 4.8085 8.3156 123.1861 51.7443 40.1814 176.3596 118 R 4.0522 8.1501 122.5208 58.8241 29.6653 178.7523 119 K 3.8526 8.3257 118.4460 59.6127 31.9687 177.6820 120 R 4.5862 8.2933 115.4325 56.2792 30.3111 176.9661 121 I 4.7171 7.4608 117.0959 62.3342 40.9955 177.3656 122 D 4.1582 9.5064 118.6061 56.5349 40.7159 177.3429 123 Q 4.7540 7.4126 114.9199 56.0481 28.9729 176.1416 124 D 4.6944 9.4161 119.3736 57.0657 43.2867 177.9008 125 R 4.5018 8.0501 113.8641 56.0772 30.2475 176.5043 126 A 4.5917 8.0072 120.8023 52.0850 21.0886 177.1319 127 A 4.7735 7.4061 118.3934 52.0274 19.4232 176.8312 128 E 4.0439 8.1013 116.8992 58.7895 30.4905 177.4579 129 R 3.2888 7.0716 112.8659 57.9952 27.3560 175.3817 130 A 4.6296 7.8937 135.0000 51.0143 19.6582 177.7688 131 A 4.1267 7.8163 125.0761 54.0615 17.2367 178.0701 132 K 4.5544 8.3494 119.9882 57.2515 32.1040 179.0331 133 E 3.9102 7.7885 121.3947 57.7531 29.5765 176.3578 134 E 3.5885 7.4139 118.6549 58.5240 29.9282 176.5234 135 A 3.6256 10.1903 129.5634 52.3223 14.5968 178.1678 136 Q 4.5976 7.6200 115.8646 57.1710 32.3696 174.2598 137 K 4.4304 7.7539 111.9105 57.3431 37.4505 175.6843 *138 A 4.1104 7.9750 126.0688 52.3032 18.7921 176.1161 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 4.44 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.03 4.81 0.00 2.79 2.79 0.00 0.00 6.81 6.78 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 3 R 8.35 4.43 0.00 1.79 1.86 0.00 3.29 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 4 G 8.55 3.28 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 0.00 0.00 0.00 0.00 5 A 9.01 3.61 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 6 L 8.99 4.16 0.00 1.82 1.68 0.92 1.03 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 7 I 8.62 4.06 2.13 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 1.52 0.84 0.92 0.00 0.00 8 K 7.87 4.97 0.00 1.83 1.90 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.41 7.81 9 L 7.37 4.21 0.00 1.79 1.71 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.58 4.04 2.24 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 1.04 0.00 0.00 0.97 0.00 0.00 11 E 7.56 4.15 0.00 2.23 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 0.00 2.37 2.37 0.00 12 S 7.85 4.04 0.00 3.87 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 13 R 8.10 4.21 0.00 1.55 1.74 0.00 3.21 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 14 Y 7.41 4.54 0.00 2.68 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 15 V 6.80 3.43 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 0.69 0.00 0.00 0.87 0.00 0.00 16 R 7.40 4.82 0.00 1.77 2.11 0.00 3.65 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 17 T 7.55 4.39 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 1.18 0.00 0.00 18 D 8.34 4.70 0.00 2.80 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 19 L 7.51 4.48 0.00 1.58 1.66 0.98 1.05 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 20 P 0.00 4.19 0.00 2.24 2.09 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 21 E 8.34 3.89 0.00 1.77 1.77 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 2.10 2.07 0.00 22 F 6.61 5.60 0.00 3.19 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 23 R 9.54 4.91 0.00 2.15 2.15 0.00 3.01 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 24 P 0.00 4.44 0.00 2.17 2.19 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 25 G 8.15 4.73 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 26 D 8.47 4.77 0.00 2.65 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 27 T 7.31 4.71 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 0.91 0.00 0.00 28 V 7.58 4.65 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 0.87 0.00 0.00 1.04 0.00 0.00 29 R 8.68 4.50 0.00 1.66 1.73 0.00 3.36 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 30 V 8.20 4.66 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 0.95 0.00 0.00 0.94 0.00 0.00 31 S 8.76 4.80 0.00 3.62 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 32 Y 7.98 4.12 0.00 3.21 2.38 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 33 K 8.63 4.32 0.00 2.01 2.20 0.00 1.73 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.36 7.81 34 V 7.16 3.70 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 0.82 0.00 0.00 0.94 0.00 0.00 35 K 8.82 4.36 0.00 1.86 1.68 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 36 E 9.10 3.47 0.00 2.16 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 2.31 2.28 0.00 37 G 8.24 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 0.00 0.00 0.00 0.00 38 N 7.39 4.35 0.00 2.82 2.88 0.00 0.00 6.95 8.79 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 39 R 8.49 4.94 0.00 1.83 1.98 0.00 3.22 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 T 6.89 4.56 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 1.23 0.00 0.00 41 R 8.69 3.75 0.00 1.97 1.98 0.00 3.36 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 42 I 8.16 5.47 1.97 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 1.24 0.87 1.05 0.00 0.00 43 Q 8.32 4.25 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 44 D 8.47 5.07 0.00 2.61 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 45 F 8.01 4.53 0.00 3.05 3.02 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 46 E 7.85 4.14 0.00 1.95 1.81 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 2.25 2.35 0.00 47 G 8.13 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 0.00 0.00 0.00 0.00 48 I 8.68 4.67 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.96 0.00 0.00 49 V 7.52 4.24 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 0.70 0.00 0.00 1.05 0.00 0.00 50 I 8.83 3.93 1.50 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 1.09 0.26 0.12 0.00 0.00 51 R 6.79 4.26 0.00 1.96 1.70 0.00 2.77 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 52 I 7.98 4.43 1.96 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 1.66 0.65 0.98 0.00 0.00 53 R 8.24 4.38 0.00 1.91 1.91 0.00 3.16 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 54 R 7.72 4.08 0.00 1.81 1.92 0.00 3.25 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 55 N 8.72 4.92 0.00 2.62 2.68 0.00 0.00 7.20 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 56 G 8.62 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 57 F 9.27 4.40 0.00 2.93 2.89 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 58 N 7.81 4.22 0.00 2.57 2.16 0.00 0.00 6.00 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 59 T 8.01 4.75 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 1.26 0.00 0.00 60 T 8.73 5.24 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 1.21 0.00 0.00 61 F 9.26 5.09 0.00 3.32 3.25 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 62 T 8.37 4.38 4.12 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 1.06 0.00 0.00 63 V 7.95 4.76 1.74 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 1.06 0.00 0.00 0.61 0.00 0.00 64 R 9.26 5.78 0.00 1.70 1.61 0.00 3.39 0.00 0.00 3.12 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 65 K 7.98 4.32 0.00 1.82 1.43 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 1.20 7.81 66 V 8.35 5.12 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 0.92 0.00 0.00 0.88 0.00 0.00 67 S 8.18 4.10 0.00 3.70 3.59 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 68 Y 7.99 3.97 0.00 3.22 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 69 G 8.64 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 70 V 10.29 4.51 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 0.95 0.00 0.00 71 G 8.57 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.77 4.74 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 1.11 0.00 0.00 0.91 0.00 0.00 73 E 8.74 5.15 0.00 1.80 1.72 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 2.16 2.31 0.00 74 R 9.00 4.31 0.00 0.67 0.66 0.00 2.89 0.00 0.00 2.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.00 75 I 6.96 4.34 1.63 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 1.18 0.10 0.82 0.00 0.00 76 F 8.16 5.06 0.00 3.71 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 77 P 0.00 4.10 0.00 2.01 2.02 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 78 L 8.83 4.13 0.00 1.85 1.82 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.66 5.04 0.00 3.27 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.67 4.49 0.00 3.98 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 81 P 0.00 4.07 0.00 0.89 0.99 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 82 L 7.54 3.80 0.00 1.41 1.49 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.61 4.36 1.87 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 1.28 0.53 0.95 0.00 0.00 84 Q 8.29 3.91 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.51 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 85 K 8.32 4.51 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.29 1.60 7.81 86 I 8.07 3.50 1.89 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 1.49 0.76 0.98 0.00 0.00 87 D 8.42 4.85 0.00 2.75 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 88 I 8.58 3.77 2.09 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 1.23 0.95 0.91 0.00 0.00 89 V 6.22 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 0.79 0.00 0.00 0.93 0.00 0.00 90 Q 8.58 3.54 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.64 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 91 R 9.68 3.58 0.00 1.92 2.04 0.00 3.27 0.00 0.00 3.24 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 92 G 8.70 3.63 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 0.00 0.00 0.00 93 R 9.11 3.74 0.00 1.97 2.03 0.00 3.40 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 94 A 7.46 4.34 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 95 R 8.30 4.30 0.00 1.83 1.98 0.00 3.43 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 96 R 8.71 4.49 0.00 1.59 1.88 0.00 3.38 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 97 A 8.59 3.94 1.27 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 0.00 0.00 0.00 98 K 8.61 4.24 0.00 1.94 2.28 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.26 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.90 1.72 7.81 99 L 8.12 4.98 0.00 1.83 2.12 0.72 0.60 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 0.00 100 Y 8.36 4.14 0.00 3.09 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 0.00 101 F 9.06 4.28 0.00 3.21 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 5.93 3.54 1.59 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 1.08 0.44 0.24 0.00 0.00 103 R 8.59 3.77 0.00 2.00 1.82 0.00 3.21 0.00 0.00 3.40 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 104 N 5.77 4.18 0.00 2.98 2.96 0.00 0.00 6.92 7.73 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 0.00 105 L 8.06 4.65 0.00 1.66 1.63 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.60 4.71 0.00 3.94 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 0.00 107 D 7.79 5.17 0.00 2.90 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 0.00 0.00 0.00 0.00 108 R 8.79 4.49 0.00 1.99 2.19 0.00 2.97 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 109 E 9.07 4.16 0.00 2.12 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 0.00 2.37 2.77 0.00 110 I 6.73 3.63 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.89 0.00 0.00 111 R 7.68 4.66 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 112 R 7.64 4.55 0.00 1.91 2.05 0.00 3.03 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 1.68 1.50 0.00 113 K 8.50 4.48 0.00 2.15 2.08 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.65 7.81 114 L 7.56 4.78 0.00 1.60 1.73 0.88 1.10 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 0.00 115 R 7.71 4.24 0.00 1.82 1.92 0.00 3.38 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 116 A 8.35 4.15 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 0.00 117 D 8.32 4.81 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 118 R 8.15 4.05 0.00 1.92 2.24 0.00 3.22 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 119 K 8.33 3.85 0.00 1.79 2.26 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.51 7.81 120 R 8.29 4.59 0.00 1.94 1.95 0.00 3.20 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 121 I 7.46 4.72 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.92 0.00 0.00 122 D 9.51 4.16 0.00 2.81 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 0.00 0.00 0.00 0.00 123 Q 7.41 4.75 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 124 D 9.42 4.69 0.00 2.71 2.69 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 0.00 0.00 0.00 0.00 125 R 8.05 4.50 0.00 1.80 1.95 0.00 3.32 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 126 A 8.01 4.59 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 0.00 127 A 7.41 4.77 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 0.00 128 E 8.10 4.04 0.00 2.06 2.25 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 2.21 2.46 0.00 129 R 7.07 3.29 0.00 1.85 2.30 0.00 3.36 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 130 A 7.89 4.63 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 0.00 131 A 7.82 4.13 1.29 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 0.00 132 K 8.35 4.55 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.52 7.81 133 E 7.79 3.91 0.00 1.88 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 2.32 2.26 0.00 134 E 7.41 3.59 0.00 1.89 1.91 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 2.34 2.35 0.00 135 A 10.19 3.63 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 0.00 136 Q 7.62 4.60 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 137 K 7.75 4.43 0.00 1.73 1.76 0.00 2.17 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 *138 A 7.97 4.11 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 * Residues marked with a * may have inaccurate shift predictions.