NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 5.4730 8.2348 116.5548 59.1123 64.4085 172.5753 3 H 4.8315 8.8647 120.0766 52.9841 34.1789 170.6394 4 S 4.6221 8.8994 115.1310 58.2224 63.0838 174.3923 5 L 4.5115 9.0958 129.4727 58.0145 41.9642 178.6257 6 K 4.0512 8.1736 119.3137 59.7672 32.2458 178.1938 7 D 4.4846 8.1881 119.0999 57.4335 40.5316 178.7765 8 F 3.7917 8.2407 119.9575 61.1151 39.7852 176.7783 9 L 4.2534 8.6219 119.0289 58.1266 41.5530 179.4174 10 E 4.0438 8.4229 118.1321 59.4517 29.4262 179.3505 11 A 4.0810 8.1199 120.5378 54.9083 18.4243 179.0299 12 C 4.1220 7.6917 114.7558 61.7823 27.6158 175.3786 13 E 4.6531 8.3792 123.2678 58.7444 28.9529 178.1935 14 T 4.1266 7.8218 107.9586 63.2440 69.0478 175.4982 15 L 4.3669 7.8298 121.0687 55.7563 42.5135 178.8660 16 G 3.7916 8.0605 106.8993 46.2064 0.0000 173.9740 17 T 4.1282 8.7199 119.4617 63.7379 69.5271 173.9546 18 L 5.2724 9.2298 125.5060 52.9009 46.4691 175.4741 19 R 4.7793 9.0865 121.6659 54.8656 31.8805 174.7172 20 L 4.8644 8.9136 128.2008 53.6746 43.5806 175.9185 21 I 5.0404 8.9654 124.9060 59.4649 40.5074 174.6692 22 V 4.7692 8.6309 126.6676 61.3013 34.5799 174.2294 23 T 5.2025 8.6340 123.5161 62.1114 70.1941 173.9943 24 S 4.8755 8.7147 121.9990 56.9177 65.5312 174.5859 25 S 4.2914 8.6675 113.0730 61.1462 62.9324 174.3980 26 A 4.6111 7.5700 119.4100 51.0153 20.6597 175.1541 27 A 4.8403 8.2087 118.0710 50.0346 22.3664 174.9487 28 V 4.9181 8.1209 118.2319 61.0365 34.9385 174.3598 29 L 4.7218 8.8070 128.9165 53.2666 45.0329 174.7482 30 E 4.6624 8.9164 125.0196 54.7139 31.7278 174.6916 31 A 4.4613 8.8334 127.4622 49.8768 21.6172 175.2182 32 R 4.5344 8.1121 122.4285 55.1477 31.4159 175.6863 33 G 4.2322 8.5376 113.1404 46.3380 0.0000 171.1859 34 K 5.0924 8.6902 120.9507 54.5404 34.4433 175.6592 35 I 4.0637 8.2011 127.6170 60.8451 37.7582 174.9010 36 E 4.8332 8.7707 121.0171 56.3053 31.7731 174.9919 37 K 3.8660 8.7205 116.3955 57.5546 29.5315 176.0441 38 L 4.3821 7.7430 117.2143 54.5466 42.9358 176.9836 39 F 5.0358 8.2051 116.8852 55.2270 41.4523 173.2674 40 Y 5.3680 8.6832 116.6112 56.6369 41.1736 174.9108 41 A 4.7844 8.9367 122.3043 50.9205 23.2915 174.6543 42 E 5.1246 8.8959 122.2211 54.6769 31.4796 174.9028 43 L 4.9102 9.2269 125.4359 52.5512 45.9833 177.2763 44 A 4.0187 8.9280 124.0244 56.3131 18.1784 180.1660 *45 K 4.1099 8.3442 115.2482 55.7060 32.3286 178.4902 46 G 3.9537 6.6835 102.9435 45.7424 0.0000 170.5924 47 K 4.8834 8.2591 119.2292 55.0508 33.7122 175.6454 48 Y 4.9394 9.3390 123.7032 56.1871 40.6325 174.8085 49 A 4.6732 8.6882 125.1868 50.9038 21.3509 176.0933 50 N 5.1904 7.9660 118.3616 50.5161 43.6438 172.7513 *52 H 4.4961 8.6832 118.5324 56.8177 29.8676 172.4057 53 T 4.3843 7.8996 119.9477 59.8780 71.2660 175.0851 54 E 4.0230 8.6762 116.7572 58.9778 29.6688 175.3324 55 G 3.9876 7.9332 106.9694 46.8385 0.0000 173.1648 56 F 4.9557 7.8326 113.5217 55.6166 40.9740 172.5837 57 E 4.9162 8.7201 121.2044 54.2760 32.6957 174.6088 58 F 5.0983 8.3455 125.1776 56.9173 43.2220 172.8386 59 H 4.8686 8.0709 121.0920 53.7368 32.7535 172.3569 60 L 4.4774 8.5050 124.4355 53.1334 44.5318 175.6884 61 N 3.9508 8.4227 124.7377 52.9615 40.3588 174.8926 *63 E 4.3332 8.6552 119.2484 56.0461 31.9589 178.0135 64 K 4.1753 7.9997 117.2214 56.8451 32.6909 176.2564 65 I 4.3518 7.5358 121.0541 60.8933 37.4363 175.3517 66 T 4.3770 8.4689 116.3630 62.6719 70.2999 174.7171 67 Q 4.4514 7.4323 121.3189 54.7596 32.8291 172.8865 68 V 4.2432 7.8564 124.4757 60.6607 34.6500 174.3700 69 K 5.0791 8.3383 126.0698 54.6246 35.9118 175.3764 70 F 4.9490 9.0721 123.0375 56.9009 40.4445 175.0183 71 E 5.0279 9.7965 122.4548 55.3001 33.2860 173.8974 72 T 4.9115 8.7030 115.7943 60.3502 72.0908 173.1739 73 G 4.2317 8.3135 108.0908 45.4209 0.0000 170.6698 74 E 5.0581 8.4327 118.1289 53.7635 32.1159 175.5034 75 A 3.7030 8.2062 126.3268 52.3833 17.3670 180.8649 *78 G 3.7526 8.9637 113.2562 47.7573 0.0000 173.9942 79 N 4.6813 8.3590 117.1229 50.0531 36.0925 171.1680 80 F 5.0804 6.7945 117.6334 55.7070 42.1397 174.8012 81 T 4.6874 8.6998 116.6318 63.2969 69.4736 174.4022 82 T 5.0394 8.4160 115.5185 59.5565 72.1677 173.0201 83 Y 4.2720 8.6950 119.6354 56.1978 41.1969 174.2616 84 A 5.0198 9.6447 125.9851 49.9394 23.2462 174.5071 85 I 4.6205 8.6423 119.7206 59.4830 40.9610 174.8213 86 R 4.9856 8.7750 126.1058 54.3563 33.0912 175.0661 87 F 4.6365 9.3317 122.6474 55.8913 40.9898 174.6958 88 L 5.1592 8.8717 125.0191 53.3873 44.2729 176.4688 89 D 5.3202 8.5506 124.4318 51.7649 42.0356 177.3305 90 E 3.9037 8.8608 113.4064 59.1908 29.6112 173.8224 91 K 4.3115 8.1227 114.7300 56.2489 32.1667 176.5516 92 Q 3.5962 8.0700 117.0216 57.0498 26.7987 173.1367 93 E 4.6356 8.3993 116.4463 54.3257 31.8022 175.6551 94 S 4.6266 8.5350 116.8197 58.2230 62.6206 173.7075 95 A 4.4444 8.9526 130.6842 53.6764 19.5203 176.9767 96 L 4.7819 7.6930 115.9985 54.2322 45.8139 174.1717 97 S 5.3790 9.2949 121.2753 56.7551 67.0458 172.8238 98 L 5.2867 9.2167 123.8201 53.0609 44.6301 175.4226 99 F 5.4084 9.1303 122.5179 55.2447 42.1327 175.1342 100 L 4.4813 8.8858 123.2879 55.2191 42.1368 176.2630 101 Q 4.3268 8.9139 125.8914 54.1298 30.0348 175.4801 102 W 4.7205 8.0364 123.8123 55.2751 31.2106 176.8832 103 G 3.4681 9.2011 111.6345 47.0809 0.0000 176.5101 104 K 4.2072 9.0689 118.7835 54.8060 33.6343 174.4682 105 P 3.4909 0.0000 0.0000 64.4689 30.8855 176.7191 106 G 2.1747 5.6994 110.0622 44.7678 0.0000 173.1873 107 E 4.1753 7.4945 120.7561 54.8276 28.6557 175.4388 108 Y 4.7916 7.8663 121.7238 56.9318 39.3533 175.4895 109 E 4.2008 9.7659 121.5520 55.3215 30.2269 175.2312 110 P 4.3438 0.0000 0.0000 64.3779 31.8240 177.2028 111 G 3.9442 9.0264 110.1426 46.2987 0.0000 175.0632 112 Q 3.9091 8.3311 121.3934 59.3441 29.1628 178.2750 113 V 3.1624 7.5951 118.7154 65.6412 31.3810 177.4168 114 E 3.9435 8.1267 118.5498 59.2362 29.6030 178.4403 115 A 4.0345 8.2447 120.8966 54.8034 18.3715 179.4931 116 W 4.1009 8.1823 126.5406 61.0797 30.7600 178.0271 117 H 4.0603 8.5244 116.1806 59.0593 28.1351 177.8282 118 T 3.8333 8.3174 117.9435 66.7345 68.2702 176.6083 119 L 4.1242 7.9007 120.7728 57.6795 41.5787 179.5039 120 K 2.5286 7.4837 122.0144 59.5232 31.6450 179.4373 121 E 3.8676 7.9794 118.2011 60.6414 29.6905 180.9208 122 K 4.0911 7.7522 119.3795 59.2629 32.4090 177.8914 123 Y 3.6975 8.0976 115.3434 56.7969 38.7876 176.7032 124 G 4.0461 7.7320 106.0831 44.3973 0.0000 172.9257 125 E 4.1466 9.0421 121.5360 58.8468 30.2246 176.9732 126 V 5.1219 7.7400 116.3629 61.0847 34.8528 173.9508 127 W 5.2837 8.6382 122.5498 55.5265 32.1750 172.8241 128 E 4.9053 8.8064 120.1812 53.8565 31.4873 174.0015 129 P 5.3303 0.0000 0.0000 62.6917 32.2132 176.3089 130 L 4.4151 8.8938 123.4505 53.4913 42.7063 175.2980 131 P 4.2456 0.0000 0.0000 63.0722 31.7496 176.4836 132 V 3.8991 8.3630 124.5233 62.8996 32.1980 175.8874 133 Q 4.5457 8.4677 124.6573 53.2228 31.3575 172.0843 134 L 4.2804 8.5879 122.0506 53.9246 41.8926 176.4793 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 2 S 8.23 5.47 0.00 3.77 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 3 H 8.86 4.83 0.00 2.55 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.90 4.62 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.10 4.51 0.00 2.02 1.82 1.32 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.17 4.05 0.00 1.80 1.78 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.40 1.01 7.81 7 D 8.19 4.48 0.00 3.12 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 8 F 8.24 3.79 0.00 2.70 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.62 4.25 0.00 2.07 1.86 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.42 4.04 0.00 2.25 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 0.00 2.50 2.68 0.00 11 A 8.12 4.08 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 12 C 7.69 4.12 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 13 E 8.38 4.65 0.00 2.16 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 2.32 2.33 0.00 14 T 7.82 4.13 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 1.22 0.00 0.00 15 L 7.83 4.37 0.00 1.80 1.85 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.06 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 0.00 0.00 0.00 17 T 8.72 4.13 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 1.19 0.00 0.00 18 L 9.23 5.27 0.00 1.64 1.54 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 R 9.09 4.78 0.00 1.88 1.80 0.00 2.98 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 20 L 8.91 4.86 0.00 1.33 1.39 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.97 5.04 2.01 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 1.11 0.86 0.95 0.00 0.00 22 V 8.63 4.77 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 1.02 0.00 0.00 1.03 0.00 0.00 23 T 8.63 5.20 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 1.27 0.00 0.00 24 S 8.71 4.88 0.00 3.98 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 25 S 8.67 4.29 0.00 4.00 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 26 A 7.57 4.61 1.28 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 27 A 8.21 4.84 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 28 V 8.12 4.92 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 0.87 0.00 0.00 0.94 0.00 0.00 29 L 8.81 4.72 0.00 1.78 1.45 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.92 4.66 0.00 1.76 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 2.14 2.22 0.00 31 A 8.83 4.46 0.45 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 32 R 8.11 4.53 0.00 1.71 1.78 0.00 3.24 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 33 G 8.54 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 0.00 0.00 0.00 0.00 34 K 8.69 5.09 0.00 2.05 1.71 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.01 7.81 35 I 8.20 4.06 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.92 0.00 0.00 36 E 8.77 4.83 0.00 2.02 1.87 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 2.26 2.23 0.00 37 K 8.72 3.87 0.00 1.94 1.95 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.46 7.81 38 L 7.74 4.38 0.00 1.65 1.23 1.03 0.92 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 39 F 8.21 5.04 0.00 3.01 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 40 Y 8.68 5.37 0.00 2.97 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 41 A 8.94 4.78 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 42 E 8.90 5.12 0.00 2.04 1.90 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 2.26 2.37 0.00 43 L 9.23 4.91 0.00 1.79 1.57 0.68 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.93 4.02 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 *45 K 8.34 4.11 0.00 1.79 1.75 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 46 G 6.68 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.26 4.88 0.00 1.58 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.55 7.81 48 Y 9.34 4.94 0.00 2.96 2.90 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 49 A 8.69 4.67 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 50 N 7.97 5.19 0.00 1.44 1.91 0.00 0.00 6.48 7.75 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 *52 H 8.68 4.50 0.00 3.24 3.37 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.90 4.38 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 0.64 0.00 0.00 54 E 8.68 4.02 0.00 2.01 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 2.23 1.88 0.00 55 G 7.93 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 0.00 0.00 0.00 56 F 7.83 4.96 0.00 3.20 3.09 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 0.00 0.00 0.00 57 E 8.72 4.92 0.00 1.95 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 2.07 2.29 0.00 58 F 8.35 5.10 0.00 3.31 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 59 H 8.07 4.87 0.00 2.89 3.03 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.51 4.48 0.00 1.33 1.28 0.82 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.42 3.95 0.00 2.31 2.43 0.00 0.00 7.16 7.65 0.00 0.00 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 E 8.66 4.33 0.00 2.06 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 2.27 2.29 0.00 64 K 8.00 4.18 0.00 1.91 1.79 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.31 7.81 65 I 7.54 4.35 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 0.88 0.00 0.00 66 T 8.47 4.38 4.18 0.00 0.00 0.00 0.00 0.00 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 67 Q 7.43 4.45 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 68 V 7.86 4.24 0.67 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 -0.22 0.00 0.00 -0.26 0.00 0.00 69 K 8.34 5.08 0.00 1.55 1.58 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.22 7.81 70 F 9.07 4.95 0.00 2.79 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 71 E 9.80 5.03 0.00 2.05 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 2.25 2.31 0.00 72 T 8.70 4.91 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 1.10 0.00 0.00 73 G 8.31 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 0.00 0.00 0.00 0.00 74 E 8.43 5.06 0.00 1.98 1.68 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 2.20 1.84 0.00 75 A 8.21 3.70 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 G 8.96 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.36 4.68 0.00 2.75 2.65 0.00 0.00 6.40 7.43 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 80 F 6.79 5.08 0.00 2.95 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 81 T 8.70 4.69 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 0.54 0.00 0.00 82 T 8.42 5.04 4.67 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 1.19 0.00 0.00 83 Y 8.69 4.27 0.00 2.34 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 84 A 9.64 5.02 0.28 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 85 I 8.64 4.62 1.84 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 0.34 0.78 0.30 0.00 0.00 86 R 8.77 4.99 0.00 1.49 1.74 0.00 3.25 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.73 0.00 87 F 9.33 4.64 0.00 3.03 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 88 L 8.87 5.16 0.00 1.51 1.50 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.55 5.32 0.00 2.77 2.82 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 0.00 0.00 0.00 90 E 8.86 3.90 0.00 2.01 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 2.23 1.91 0.00 91 K 8.12 4.31 0.00 1.87 1.86 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 92 Q 8.07 3.60 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 93 E 8.40 4.64 0.00 2.27 1.83 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 2.23 2.41 0.00 94 S 8.54 4.63 0.00 3.85 3.83 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 95 A 8.95 4.44 1.28 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 96 L 7.69 4.78 0.00 1.78 1.46 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 97 S 9.29 5.38 0.00 3.97 3.80 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 98 L 9.22 5.29 0.00 1.64 1.63 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.13 5.41 0.00 3.00 3.05 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 0.00 100 L 8.89 4.48 0.00 1.74 1.76 0.32 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.91 4.33 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 102 W 8.04 4.72 0.00 3.12 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 0.00 103 G 9.20 3.47 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 0.00 104 K 9.07 4.21 0.00 1.93 1.70 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.42 7.81 105 P 0.00 3.49 0.00 1.97 2.07 0.00 3.84 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 1.94 2.02 0.00 106 G 5.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.49 4.18 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 108 Y 7.87 4.79 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 0.00 109 E 9.77 4.20 0.00 2.14 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 2.38 2.46 0.00 110 P 0.00 4.34 0.00 2.06 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 111 G 9.03 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 0.00 112 Q 8.33 3.91 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 113 V 7.60 3.16 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 0.49 0.00 0.00 0.18 0.00 0.00 114 E 8.13 3.94 0.00 2.08 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 2.40 2.39 0.00 115 A 8.24 4.03 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 0.00 116 W 8.18 4.10 0.00 3.36 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 0.00 117 H 8.52 4.06 0.00 3.52 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.32 3.83 4.43 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 1.20 0.00 0.00 119 L 7.90 4.12 0.00 1.93 2.01 0.74 0.87 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 0.00 120 K 7.48 2.53 0.00 0.79 1.17 0.00 1.52 0.00 0.00 0.66 0.00 0.00 3.04 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.90 0.29 7.81 121 E 7.98 3.87 0.00 2.09 1.85 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 2.26 2.18 0.00 122 K 7.75 4.09 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.80 1.20 7.81 123 Y 8.10 3.70 0.00 2.89 1.87 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 0.00 124 G 7.73 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 0.00 0.00 0.00 125 E 9.04 4.15 0.00 2.11 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 2.43 2.47 0.00 126 V 7.74 5.12 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 0.83 0.00 0.00 0.95 0.00 0.00 127 W 8.64 5.28 0.00 3.58 3.26 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 0.00 128 E 8.81 4.91 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.87 0.00 129 P 0.00 5.33 0.00 1.97 2.13 0.00 3.64 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.78 0.00 130 L 8.89 4.42 0.00 1.56 1.65 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.25 0.00 2.05 2.01 0.00 3.69 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 2.04 2.10 0.00 132 V 8.36 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 0.75 0.00 0.00 0.95 0.00 0.00 133 Q 8.47 4.55 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 134 L 8.59 4.28 0.00 1.65 1.63 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.