NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.6026 8.3293 121.9668 56.3683 30.5564 173.7898 3 S 4.3052 8.3338 118.7014 56.3561 67.0639 171.6525 4 W 5.1037 9.1381 121.1476 56.6940 31.3045 176.2259 5 Y 5.5772 9.4167 117.9425 57.1722 42.9341 173.7639 6 L 5.2003 9.1106 121.4513 53.2042 44.3090 175.2860 7 L 5.0210 8.8768 124.2929 52.9896 44.6826 174.7830 8 Y 4.3967 8.8668 124.6240 56.2879 40.4712 174.2902 9 C 4.9820 7.4012 123.7829 57.5261 31.1698 173.8859 10 K 4.1438 8.7891 120.4428 56.7044 32.4561 179.2189 11 R 3.7935 8.3203 121.1437 59.4331 30.2580 178.2303 12 G 4.1455 7.7629 103.0595 44.9586 0.0000 173.0812 13 Q 4.4848 7.9746 116.6870 55.0545 28.9776 176.9066 14 L 3.8092 7.6699 123.4466 58.3456 42.1272 178.3458 15 Q 3.9504 8.1001 118.7039 59.5007 28.8725 178.6762 16 R 3.8671 7.9480 117.8296 59.3322 30.2133 178.7354 17 A 4.0177 8.3083 120.8612 55.2471 18.1947 179.4380 18 Q 3.9619 8.5293 118.4461 59.2813 29.0207 178.3165 19 E 3.9953 8.1768 119.5375 59.9647 29.4805 178.5698 20 H 4.0452 8.2438 116.0191 59.2040 28.6290 177.6556 21 L 4.0592 7.9862 120.4976 57.4254 41.5695 178.9492 22 E 4.7462 7.4990 119.0809 57.9165 29.9956 178.2590 23 R 4.0262 7.9766 117.6129 58.3696 30.7892 177.4304 24 Q 4.1396 8.2376 119.1027 55.1681 29.6903 176.3866 25 A 4.1423 8.5413 125.3663 54.0593 18.7101 178.2327 26 V 3.8818 7.6184 116.7395 62.8285 33.0952 174.6118 27 N 4.9634 8.6162 125.0366 52.6517 39.7482 174.2637 28 C 5.4458 8.8017 121.1697 58.4454 31.5984 173.7680 29 L 4.4831 9.0238 122.8055 54.5567 44.4602 174.0453 30 A 4.8281 8.6215 129.1889 48.7969 19.2825 173.3641 31 P 4.4154 0.0000 0.0000 63.2706 32.9202 174.9947 32 M 5.1641 8.4816 120.6595 53.5755 35.5550 174.8849 33 I 4.5743 9.1770 121.4103 59.6164 41.6450 174.0728 34 T 4.9598 8.5135 125.5089 62.5206 69.5649 174.0775 35 L 4.8101 9.2951 126.2254 52.8653 46.4704 175.7642 36 E 4.4115 8.8220 123.0223 55.1639 29.4466 174.8221 37 K 4.6817 8.3435 127.8611 54.2774 35.9841 175.1987 38 I 4.4439 8.2001 125.0200 60.7249 36.7666 175.9416 39 V 3.9339 8.2903 127.2548 64.3595 32.3122 176.9760 40 R 4.4771 7.0133 118.7128 54.6866 30.6506 176.5415 41 G 4.0128 8.3431 105.6002 45.5272 0.0000 171.1512 42 K 4.5401 7.7389 119.3354 54.4220 34.9247 176.5143 43 R 4.4267 8.1879 123.7341 55.5099 27.8226 175.3819 44 T 4.3824 8.1487 117.9539 62.4030 70.3666 175.2396 45 A 4.3371 8.5971 128.0926 52.2151 19.3415 176.5983 46 V 4.6285 9.4473 120.7661 61.0954 36.0398 174.3358 47 S 5.1937 8.6874 118.6761 56.5795 64.8973 172.7599 48 E 4.8597 9.0230 122.2683 53.1905 33.3869 173.3350 49 P 4.5379 0.0000 0.0000 62.3966 31.5566 176.3757 50 L 3.6920 8.5696 126.8242 57.5593 42.0363 177.9413 51 F 4.9981 6.5674 124.1365 55.5370 40.6211 175.3192 52 P 4.3568 0.0000 0.0000 58.0750 34.2005 177.7808 53 N 4.5817 9.0371 122.0589 55.2906 38.3201 172.6745 54 Y 4.8788 8.2878 116.8017 57.2068 39.8598 175.3732 55 L 4.7067 8.7250 123.8491 53.7169 45.6803 175.2705 56 F 5.0677 9.2395 125.8824 57.6682 40.4824 174.9283 57 V 5.2606 10.3802 123.2524 61.3307 35.3232 173.4557 58 E 4.9634 9.1561 128.5533 53.5401 31.6922 174.6228 59 F 5.0095 8.0050 120.5736 56.3540 42.0168 172.0345 60 D 5.2369 8.8467 117.8360 51.7645 42.7101 174.4177 61 P 4.5493 0.0000 0.0000 66.1384 31.5457 177.4916 62 E 4.1564 8.0020 114.8445 58.8932 29.5949 178.3159 63 V 3.9257 7.7270 117.0909 64.7516 32.0463 175.9405 64 I 4.3166 7.8596 120.5809 60.1164 38.8701 174.1595 65 H 4.6856 8.2068 121.1276 55.1793 30.0917 177.9514 66 T 3.8112 8.1590 116.2942 66.8764 68.0516 175.9734 67 T 3.9025 7.8570 116.2008 67.2358 68.8400 175.9658 68 T 3.9946 8.0064 117.0023 66.9019 68.4234 176.7278 69 I 3.7086 7.6434 122.3950 63.8079 36.7898 178.0794 70 N 4.2755 8.1039 116.2654 56.2471 38.5085 177.0185 71 A 4.2485 7.6922 120.7972 53.8940 18.2683 177.5490 72 T 3.6817 7.2290 114.6533 63.7764 68.6402 173.6383 73 R 3.8244 8.4842 126.1449 58.7558 30.2691 176.2083 74 G 3.8491 8.8625 111.4786 45.5564 0.0000 173.0519 75 V 3.9919 7.7840 121.1154 62.2244 31.8312 175.5634 76 S 4.5824 8.8721 123.5891 61.0684 63.9691 173.7600 77 H 4.7403 7.7614 113.6424 54.6293 31.2968 172.4843 78 F 5.1216 8.8709 117.4553 56.2672 40.7493 176.1490 79 V 4.2526 8.7864 121.6363 62.7451 32.8636 175.3366 80 R 5.1900 8.4966 123.7301 53.3330 33.1507 173.6108 81 F 4.2658 8.4232 123.7063 59.1014 39.9626 175.5225 82 G 3.5021 8.8263 114.6451 46.4139 0.0000 173.1013 83 A 3.9627 8.3684 129.2899 55.1921 18.3990 178.1613 84 S 4.0882 7.7855 108.5881 60.8258 62.6411 172.4855 85 P 4.2157 0.0000 0.0000 62.8927 31.8211 175.8630 86 A 4.3417 8.2215 124.5995 52.0047 19.1993 177.1864 87 I 4.3723 8.7861 122.3126 60.8310 38.7504 176.0824 88 V 4.7269 8.0896 124.6411 60.0005 32.1536 173.6718 89 P 4.5640 0.0000 0.0000 62.1148 32.1496 177.0875 90 S 4.1936 8.7628 119.1875 58.5019 63.6977 175.1703 91 A 4.0878 8.8845 125.3551 55.8466 17.7813 180.4882 92 V 3.6751 7.7751 115.9199 65.9514 31.4457 178.2307 93 I 3.8938 7.6874 119.3628 64.5852 37.2292 177.7419 94 H 3.7786 7.7740 116.5311 58.7622 28.5108 177.2198 95 Q 3.8673 7.7361 119.2680 59.3156 28.4548 179.2439 96 L 3.5378 7.2333 119.0670 57.3490 41.6738 179.5038 97 S 3.7409 6.8421 112.6220 59.9362 62.4874 175.2355 98 V 3.4947 7.3804 120.4215 64.5577 30.4538 176.4835 99 Y 4.3722 8.1380 116.8099 59.8321 40.4989 179.1648 100 K 4.2977 6.7052 117.5026 56.1708 31.3496 177.8091 *115 K 4.3138 9.0279 128.6628 57.4779 33.5310 177.7381 116 V 3.4315 7.7325 115.7455 64.5150 31.4590 176.2484 117 I 4.2757 7.4422 118.1128 61.7589 39.3638 177.6767 118 I 4.4955 7.4982 122.8286 64.2380 37.0787 178.1419 119 T 3.5633 8.7517 117.2012 66.6901 68.2074 176.6649 120 E 4.2268 7.9494 117.4229 57.8455 29.7838 178.7231 121 G 3.7638 7.4383 106.6764 46.9183 0.0000 175.8454 122 A 4.0152 7.8908 123.9793 54.9687 18.7100 178.9155 123 F 4.0586 9.1219 112.9354 62.0195 38.8056 177.3517 124 E 4.1592 9.1375 121.0544 60.0174 30.0479 179.3349 125 G 3.4439 8.1729 105.4439 48.0450 0.0000 175.8916 126 F 4.1201 8.3857 120.9734 59.6410 38.6284 177.8345 127 Q 4.1625 7.9479 116.9053 59.1737 28.8952 178.6163 128 A 4.1685 7.8853 121.1991 55.0979 18.2398 179.8139 129 I 3.6880 7.5586 118.3091 64.4611 37.0344 178.0621 130 F 4.8548 8.4355 115.5982 58.9407 38.9121 175.9460 131 T 4.4470 7.4971 113.8653 63.2140 69.9725 174.0173 132 E 4.1466 7.8011 123.3743 55.0413 29.6516 174.0610 133 P 4.4189 0.0000 0.0000 65.2546 31.5626 176.0265 134 D 5.0542 7.8668 116.0789 51.1959 41.8036 177.2301 135 G 3.7861 8.2496 105.8677 48.1551 0.0000 175.5008 136 E 4.0896 8.5570 121.4424 59.4171 29.5331 178.7860 137 A 4.1607 8.5208 120.2583 54.8120 18.4715 179.8705 138 R 3.9753 8.5854 117.4001 59.3237 30.1542 179.1876 139 S 3.7780 8.1703 114.5609 61.7409 62.8723 176.3646 140 M 3.9403 7.6039 119.9767 58.5882 31.7802 178.6731 141 L 3.9069 7.6388 118.4116 57.7298 41.7028 179.5462 142 L 3.4998 8.0083 120.3080 57.8710 41.9707 178.8829 143 L 3.8189 7.9125 119.1928 57.9630 41.6013 179.2393 144 N 4.2711 8.3655 116.6108 56.3950 38.4219 177.2738 145 L 3.9382 7.8592 121.5405 57.9841 42.0072 179.1731 146 I 3.6481 8.0490 120.3752 64.0583 37.0696 177.6220 147 N 4.4093 8.6288 118.2379 56.9379 38.8168 176.5652 148 K 3.8402 8.4153 119.9217 59.7714 32.1320 178.7286 149 E 3.9385 8.3578 118.4681 59.8765 29.4846 179.9313 150 I 3.4353 7.7605 119.4173 64.1853 37.0727 178.4309 151 K 3.8279 7.6641 119.3189 59.9368 31.6710 178.7188 152 H 4.2191 8.0313 117.3082 59.2323 29.7776 177.0133 153 S 4.1050 7.7381 114.2375 61.9345 62.3813 175.5743 154 V 3.6033 7.7486 120.9614 65.1310 31.0235 177.3879 155 K 3.9258 8.3080 122.3257 58.9030 32.3574 176.8088 156 N 4.5673 7.7184 120.6255 53.3459 39.5441 173.9686 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 Q 8.33 4.60 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.73 0.00 0.00 0.00 0.00 0.00 2.01 2.31 0.00 3 S 8.33 4.31 0.00 3.52 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 4 W 9.14 5.10 0.00 3.20 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 5 Y 9.42 5.58 0.00 3.48 3.43 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 6 L 9.11 5.20 0.00 1.69 1.69 0.67 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.88 5.02 0.00 1.42 1.27 0.71 -0.09 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 8 Y 8.87 4.40 0.00 2.40 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 0.00 0.00 0.00 0.00 9 C 7.40 4.98 0.00 2.62 2.63 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 10 K 8.79 4.14 0.00 1.64 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.53 7.81 11 R 8.32 3.79 0.00 1.81 1.98 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 12 G 7.76 4.15 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 0.00 0.00 0.00 13 Q 7.97 4.48 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 14 L 7.67 3.81 0.00 1.63 1.61 0.90 0.65 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 15 Q 8.10 3.95 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 16 R 7.95 3.87 0.00 1.85 1.93 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 17 A 8.31 4.02 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 18 Q 8.53 3.96 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 19 E 8.18 4.00 0.00 2.25 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 2.35 2.64 0.00 20 H 8.24 4.05 0.00 3.46 3.34 0.00 5.83 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 21 L 7.99 4.06 0.00 1.67 1.79 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.50 4.75 0.00 2.07 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 2.54 0.00 23 R 7.98 4.03 0.00 1.82 1.96 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 24 Q 8.24 4.14 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 25 A 8.54 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 26 V 7.62 3.88 2.26 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 1.19 0.00 0.00 0.92 0.00 0.00 27 N 8.62 4.96 0.00 2.46 2.80 0.00 0.00 6.79 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 28 C 8.80 5.45 0.00 2.96 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 29 L 9.02 4.48 0.00 2.02 1.75 0.44 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.62 4.83 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 31 P 0.00 4.42 0.00 1.94 1.93 0.00 3.67 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 32 M 8.48 5.16 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 33 I 9.18 4.57 1.86 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 1.31 2.12 0.96 0.00 0.00 34 T 8.51 4.96 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 1.26 0.00 0.00 35 L 9.30 4.81 0.00 1.51 1.51 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.82 4.41 0.00 1.97 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 2.33 2.23 0.00 37 K 8.34 4.68 0.00 1.86 1.61 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.39 7.81 38 I 8.20 4.44 1.88 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 1.30 0.67 0.92 0.00 0.00 39 V 8.29 3.93 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 0.77 0.00 0.00 0.93 0.00 0.00 40 R 7.01 4.48 0.00 1.85 1.78 0.00 3.30 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 41 G 8.34 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 42 K 7.74 4.54 0.00 1.72 1.70 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 43 R 8.19 4.43 0.00 1.69 2.08 0.00 3.20 0.00 0.00 3.65 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 44 T 8.15 4.38 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 45 A 8.60 4.34 1.21 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 46 V 9.45 4.63 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 0.99 0.00 0.00 1.02 0.00 0.00 47 S 8.69 5.19 0.00 3.85 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 48 E 9.02 4.86 0.00 2.02 2.07 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 2.17 2.25 0.00 49 P 0.00 4.54 0.00 1.99 2.05 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 50 L 8.57 3.69 0.00 1.35 0.33 0.58 0.20 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 51 F 6.57 5.00 0.00 3.16 2.84 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 0.00 0.00 0.00 0.00 52 P 0.00 4.36 0.00 2.50 1.44 0.00 3.82 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.24 0.00 53 N 9.04 4.58 0.00 1.90 2.18 0.00 0.00 6.80 7.48 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 54 Y 8.29 4.88 0.00 3.10 2.81 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 55 L 8.72 4.71 0.00 1.74 1.48 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.24 5.07 0.00 3.41 3.22 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 57 V 10.38 5.26 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 1.33 0.00 0.00 1.18 0.00 0.00 58 E 9.16 4.96 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 1.47 1.47 0.00 59 F 8.01 5.01 0.00 3.07 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 60 D 8.85 5.24 0.00 2.80 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 61 P 0.00 4.55 0.00 2.16 2.24 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 62 E 8.00 4.16 0.00 2.05 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 0.00 2.45 2.45 0.00 63 V 7.73 3.93 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 0.82 0.00 0.00 0.97 0.00 0.00 64 I 7.86 4.32 1.57 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 1.28 0.58 0.66 0.00 0.00 65 H 8.21 4.69 0.00 3.33 3.70 0.00 5.69 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 66 T 8.16 3.81 4.10 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 1.23 0.00 0.00 67 T 7.86 3.90 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 1.21 0.00 0.00 68 T 8.01 3.99 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 1.15 0.00 0.00 69 I 7.64 3.71 2.04 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 1.33 1.55 0.78 0.00 0.00 70 N 8.10 4.28 0.00 2.95 2.91 0.00 0.00 6.98 7.48 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 71 A 7.69 4.25 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 72 T 7.23 3.68 4.28 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 1.19 0.00 0.00 73 R 8.48 3.82 0.00 1.63 1.84 0.00 3.10 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 74 G 8.86 3.85 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 0.00 0.00 0.00 75 V 7.78 3.99 2.18 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 0.61 0.00 0.00 0.95 0.00 0.00 76 S 8.87 4.58 0.00 4.05 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 0.00 77 H 7.76 4.74 0.00 3.24 3.42 0.00 5.44 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.87 5.12 0.00 3.03 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 79 V 8.79 4.25 2.29 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 1.06 0.00 0.00 1.19 0.00 0.00 80 R 8.50 5.19 0.00 1.84 2.31 0.00 3.49 0.00 0.00 2.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 81 F 8.42 4.27 0.00 3.02 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 82 G 8.83 3.50 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 0.00 0.00 0.00 83 A 8.37 3.96 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 84 S 7.79 4.09 0.00 3.83 3.86 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 0.00 0.00 0.00 85 P 0.00 4.22 0.00 2.38 2.04 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 86 A 8.22 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.79 4.37 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 1.02 0.00 0.00 88 V 8.09 4.73 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 0.53 0.00 0.00 0.95 0.00 0.00 89 P 0.00 4.56 0.00 2.29 2.06 0.00 4.01 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 90 S 8.76 4.19 0.00 3.87 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 91 A 8.88 4.09 1.39 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 92 V 7.78 3.68 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 1.14 0.00 0.00 0.96 0.00 0.00 93 I 7.69 3.89 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 1.02 0.00 0.00 94 H 7.77 3.78 0.00 3.10 2.72 0.00 5.64 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 95 Q 7.74 3.87 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 96 L 7.23 3.54 0.00 1.33 1.09 1.10 1.24 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 97 S 6.84 3.74 0.00 3.48 3.49 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 98 V 7.38 3.49 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 0.88 0.00 0.00 0.83 0.00 0.00 99 Y 8.14 4.37 0.00 3.04 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 0.00 100 K 6.71 4.30 0.00 1.70 0.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.22 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.54 0.87 7.81 *115 K 9.03 4.31 0.00 1.82 1.84 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.42 7.81 116 V 7.73 3.43 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 0.75 0.00 0.00 0.90 0.00 0.00 117 I 7.44 4.28 1.20 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 1.30 0.71 0.62 0.00 0.00 118 I 7.50 4.50 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.06 0.92 0.00 0.00 119 T 8.75 3.56 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 0.00 0.00 120 E 7.95 4.23 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 2.19 2.45 0.00 121 G 7.44 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 0.00 122 A 7.89 4.02 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 123 F 9.12 4.06 0.00 3.24 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 0.00 124 E 9.14 4.16 0.00 2.04 2.07 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 2.54 2.63 0.00 125 G 8.17 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 0.00 0.00 0.00 126 F 8.39 4.12 0.00 3.33 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 0.00 127 Q 7.95 4.16 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 128 A 7.89 4.17 1.35 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 0.00 0.00 129 I 7.56 3.69 1.81 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.05 1.01 0.00 0.00 130 F 8.44 4.85 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 0.00 131 T 7.50 4.45 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 1.25 0.00 0.00 132 E 7.80 4.15 0.00 2.17 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 2.34 2.44 0.00 133 P 0.00 4.42 0.00 2.10 2.15 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 134 D 7.87 5.05 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 135 G 8.25 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 0.00 136 E 8.56 4.09 0.00 2.21 2.07 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 2.46 2.55 0.00 137 A 8.52 4.16 1.45 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 0.00 138 R 8.59 3.98 0.00 2.11 2.30 0.00 3.18 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 139 S 8.17 3.78 0.00 4.12 3.84 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 0.00 0.00 0.00 0.00 140 M 7.60 3.94 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 141 L 7.64 3.91 0.00 1.83 1.59 0.89 0.28 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 0.00 142 L 8.01 3.50 0.00 0.77 1.21 0.68 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.91 3.82 0.00 1.72 1.65 0.92 0.60 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 0.00 144 N 8.37 4.27 0.00 2.60 2.81 0.00 0.00 6.74 6.48 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 0.00 145 L 7.86 3.94 0.00 1.53 1.71 0.77 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.05 3.65 1.95 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 1.36 0.55 0.92 0.00 0.00 147 N 8.63 4.41 0.00 2.94 2.94 0.00 0.00 7.24 6.02 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 0.00 148 K 8.42 3.84 0.00 1.89 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.66 7.81 149 E 8.36 3.94 0.00 2.16 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 2.29 2.50 0.00 150 I 7.76 3.44 1.16 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 1.24 0.41 -0.42 0.00 0.00 151 K 7.66 3.83 0.00 2.02 1.96 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.33 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.98 1.99 7.81 152 H 8.03 4.22 0.00 3.08 3.51 0.00 5.77 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.74 4.10 0.00 3.82 3.86 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 0.00 0.00 0.00 154 V 7.75 3.60 2.22 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 1.06 0.00 0.00 0.91 0.00 0.00 155 K 8.31 3.93 0.00 1.81 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.65 7.81 156 N 7.72 4.57 0.00 2.76 2.58 0.00 0.00 6.82 7.44 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 * Residues marked with a * may have inaccurate shift predictions.