NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4714 8.3344 115.4169 57.5479 63.6403 173.8609 3 N 3.9263 7.1968 125.8296 54.6160 43.7429 171.6944 4 T 4.8357 9.5012 115.4801 62.1349 72.4387 173.3303 5 L 4.8707 8.0665 119.4489 54.1641 44.2210 176.5578 6 F 4.6689 7.8040 117.9716 58.0771 41.8438 171.5643 7 D 5.3830 6.5655 122.5148 52.2567 44.3442 173.4879 8 D 4.9443 7.4907 125.4734 53.5670 44.6158 175.1471 9 I 4.9537 7.4420 124.6734 59.8551 39.4770 174.8771 10 F 5.3058 10.2930 125.4286 55.7435 43.3264 173.6661 11 Q 4.9925 10.7000 119.7553 54.7282 32.0449 174.0518 12 V 4.2537 9.0197 127.5660 62.8623 32.8332 175.5624 13 S 4.5449 8.8837 122.2142 59.7522 64.6253 173.3266 14 E 4.9349 8.0294 120.8012 53.3245 32.8248 174.8904 15 V 4.3428 8.3877 122.6335 60.2908 33.4586 174.9345 16 D 4.7396 8.5858 127.4703 51.4171 40.6506 174.0716 17 P 4.5412 0.0000 0.0000 62.4763 28.7334 176.8970 18 G 3.6281 8.1614 117.7023 46.4296 0.0000 169.7154 19 R 3.4445 7.8276 117.0492 56.9596 27.1825 174.2870 20 Y 5.5438 7.5779 124.8630 58.2778 40.6169 172.7488 21 N 4.7343 8.7466 122.2166 53.8943 39.4812 175.8239 22 K 4.6862 7.7085 117.4111 55.5606 33.9863 175.3400 23 V 4.9532 7.5144 117.2097 63.2468 34.5056 172.4998 24 C 4.9517 8.3511 122.1047 58.3008 32.8634 173.1136 25 R 4.8518 8.6852 119.7723 55.4366 31.4336 175.2242 26 I 4.9551 9.1706 122.6164 59.4395 41.4783 173.9586 27 E 5.1553 8.6989 125.6135 54.5218 31.9123 174.5786 28 A 5.1878 9.1663 127.3457 49.3935 23.1850 174.2465 29 A 5.2787 9.7518 121.3065 49.6946 23.1368 175.7669 30 S 3.8669 8.3176 113.6925 58.5877 62.4618 174.3891 31 T 4.1292 7.8709 124.3833 63.1208 69.2067 176.2051 32 T 3.4407 8.5902 116.6152 62.1186 65.0292 175.0440 33 Q 4.0389 8.7022 132.4159 57.4207 27.5428 176.6108 34 D 4.5810 8.7021 119.5175 55.2010 40.4662 177.2493 35 Q 4.6741 8.5662 115.8299 55.7040 29.1145 174.5682 36 C 5.5458 7.6618 117.9049 57.7292 34.8804 172.7706 37 K 5.2114 8.5069 123.7944 54.9228 36.9709 174.7813 38 L 5.0365 8.7277 122.1567 53.8503 46.3003 175.1247 39 T 5.6602 8.6755 120.4578 60.8371 71.8222 172.5832 40 L 5.1263 8.3748 128.1847 53.2159 45.2020 174.5845 41 D 5.1740 8.5187 126.0091 53.5741 42.2082 176.3513 42 I 4.4650 8.7058 123.8177 59.7048 41.7894 173.0296 43 N 5.2687 9.4483 128.2458 52.9632 38.0293 175.0113 44 V 3.7444 7.9005 123.1047 62.7468 31.8793 176.1483 45 E 4.5240 8.2521 119.9783 57.0548 31.2920 177.2068 46 L 4.2505 7.9297 117.5746 57.4873 41.9221 177.4921 47 F 5.1404 7.9957 117.7763 56.1012 40.4651 171.0810 48 P 4.0831 0.0000 0.0000 62.2978 32.1815 175.0373 49 V 3.9197 6.9886 116.8213 62.6339 34.1033 171.5249 50 A 4.1724 8.8643 122.8373 51.9442 23.4744 175.7462 51 A 3.8317 9.3591 118.1805 53.8186 19.0265 180.2861 52 Q 3.5104 6.9688 114.3884 56.7471 24.7196 174.9178 53 D 5.2343 7.7604 121.8234 52.1329 45.0532 174.7978 54 S 5.3163 8.6075 115.3830 56.7974 64.5354 173.3231 55 L 5.0207 9.5430 124.1317 53.2558 46.3431 175.6694 56 T 4.8673 8.1601 116.5410 62.3842 71.7324 173.8112 57 V 4.8885 8.9696 122.7782 62.2347 35.5843 173.6597 58 T 5.4943 8.3890 121.5057 62.6729 73.0033 172.0604 59 I 4.5663 9.2013 119.3251 58.0719 39.4774 178.8135 60 A 4.1259 9.5839 122.1737 52.7388 17.6017 178.2218 61 S 4.8085 7.7750 110.6000 57.5998 65.2749 175.9684 62 S 4.4435 6.9880 122.2753 58.0471 63.1785 177.2415 63 L 4.0800 8.5849 114.7296 53.5881 39.4666 177.8895 *76 T 3.9556 7.2766 114.0435 64.6950 69.0811 175.3491 77 R 3.1995 8.2642 119.5388 56.1534 29.7190 176.1472 78 S 4.1541 8.3562 117.3139 58.3834 63.2295 174.1852 79 W 4.5554 8.5766 131.0215 56.1065 30.6812 176.3774 80 R 4.2883 7.7751 131.7080 55.5678 31.6754 172.7093 81 P 3.7897 0.0000 0.0000 61.9495 34.6344 176.1038 82 P 4.3762 0.0000 0.0000 62.4881 30.7898 175.0856 83 Q 4.0829 9.0047 116.3108 56.4701 26.1088 173.6841 84 A 4.6919 7.0121 118.6878 51.2008 19.3765 177.3224 85 G 3.9607 7.6278 106.1652 45.1803 0.0000 174.5065 86 D 5.3404 7.1753 123.2348 53.4117 42.9733 173.6856 87 R 4.4763 7.0481 118.5950 55.5128 34.5976 175.1582 88 S 4.2757 8.3823 113.3506 58.3346 63.8419 174.1331 89 L 4.4179 8.0582 116.7602 54.3673 43.2470 174.8485 90 A 4.0251 8.1273 127.3464 53.3345 18.6639 178.4721 91 D 4.6167 8.5332 119.7987 53.1896 38.5944 177.3147 92 D 4.5254 7.5864 118.3550 56.1871 41.7561 176.8707 93 Y 4.6965 6.8171 114.0720 57.4693 38.4158 173.9518 94 D 4.3893 7.8406 122.8384 56.4683 40.3568 175.9864 95 Y 4.2535 7.4159 119.8730 57.7845 41.0038 174.8431 96 V 5.5308 7.7375 124.9027 62.3790 35.1257 172.8779 97 M 5.0417 8.6451 125.9510 53.9747 36.8209 173.2633 98 Y 5.1391 8.7632 119.6930 56.8817 41.7673 174.0790 99 G 3.6430 7.2888 112.6342 43.8832 0.0000 171.2484 100 T 4.8717 8.1830 114.3472 61.0365 71.2007 173.8659 101 A 5.2909 8.5558 125.2822 50.5257 21.1058 175.7502 102 Y 4.7684 9.6640 118.1255 56.5294 40.1971 176.0009 103 K 4.2183 6.6992 118.9061 54.7788 36.9745 174.9176 104 F 4.7236 8.5470 123.4271 55.9288 40.2858 174.4277 105 E 4.5493 8.6664 126.0121 54.2247 32.3234 174.4597 106 E 4.5561 8.5659 127.7462 54.5657 30.4366 176.3496 107 V 3.7522 8.0185 125.2112 63.0999 30.6228 176.1156 108 S 4.3138 8.2882 113.6848 58.7250 64.2148 169.5439 109 K 4.1592 8.5945 115.0492 55.5717 29.9155 176.9332 110 D 4.8196 8.5356 125.5207 54.0423 39.4358 175.7273 111 L 5.0604 7.3762 120.3209 53.4626 45.2652 175.6564 112 I 4.9109 9.3752 123.0718 59.5591 41.8851 174.0882 113 A 5.7123 8.6693 125.4941 49.4447 22.5461 175.5181 114 V 4.2096 7.5614 111.3315 59.3861 36.4026 174.2604 115 Y 5.7779 7.6334 120.0092 55.7549 40.4771 174.5581 116 Y 5.0780 8.7414 121.4073 56.3541 42.0343 175.2923 117 S 4.6955 8.4685 115.9117 57.2091 65.3642 172.9942 118 F 4.2154 9.5434 128.8612 57.0749 37.8232 175.8519 119 G 3.8434 9.0379 117.5139 46.2903 0.0000 172.0124 120 G 3.9020 7.9744 103.0081 45.5826 0.0000 172.9695 121 L 4.2295 7.9716 121.5929 54.3896 42.5709 176.3062 122 L 5.2549 9.7805 124.6641 53.7598 44.6030 175.1610 123 M 5.3654 9.2116 119.9284 54.0019 35.7075 173.7819 124 R 5.1553 9.0310 126.4520 54.5166 32.8401 173.9992 125 L 5.2207 8.7346 127.9840 53.2529 45.8981 174.5769 126 E 4.8582 8.8511 124.9455 53.8296 32.8589 174.4552 127 G 4.2447 8.8003 115.2771 46.6055 0.0000 174.4430 128 N 4.7696 8.2771 122.2057 54.7492 41.1525 174.4989 129 Y 4.6614 6.3396 113.9398 57.3758 39.9415 176.4838 130 R 4.3024 6.9963 121.1781 56.1827 28.3799 174.7798 131 N 4.6395 7.0311 115.3358 54.9021 41.2579 176.7759 132 L 4.2710 7.9178 118.0423 56.0716 41.8683 177.5112 133 N 5.0207 8.3317 115.6792 52.8031 40.6004 174.4233 134 N 5.0124 7.9060 114.4314 50.4391 39.6635 174.6726 135 L 4.3499 8.2648 122.3803 54.8452 41.3854 177.7012 136 K 4.2995 8.4740 119.6075 57.1073 32.6488 176.3662 137 Q 4.3697 7.8529 120.1849 55.2575 29.6336 175.1222 138 E 4.0381 9.0650 122.7187 59.8506 29.6072 177.8324 139 N 4.4728 8.1314 113.4191 53.5297 39.4477 172.7635 140 A 3.8971 8.5985 118.6627 53.0840 17.7710 176.5870 141 Y 5.0081 8.4435 122.1836 57.7954 41.6119 173.6414 142 L 4.9242 8.2814 118.0884 55.6958 46.2395 174.2870 143 L 5.2736 8.3559 124.8985 53.0121 46.2149 175.1372 144 I 5.1035 9.4013 124.1765 58.4456 40.5295 174.7894 145 R 4.7372 7.9807 122.1361 55.1921 33.1031 175.7176 146 R 4.2313 8.1596 119.3012 56.9780 30.7398 176.1112 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 8.33 4.47 0.00 4.00 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 3 N 7.20 3.93 0.00 2.89 2.84 0.00 0.00 7.09 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 9.50 4.84 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 1.32 0.00 0.00 5 L 8.07 4.87 0.00 1.73 2.05 1.05 0.92 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 6 F 7.80 4.67 0.00 3.17 2.95 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 7 D 6.57 5.38 0.00 2.51 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 0.00 0.00 0.00 8 D 7.49 4.94 0.00 2.53 2.23 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 9 I 7.44 4.95 1.83 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 1.39 1.36 0.91 0.00 0.00 10 F 10.29 5.31 0.00 2.76 3.06 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 11 Q 10.70 4.99 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 12 V 9.02 4.25 2.06 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 0.92 0.00 0.00 0.96 0.00 0.00 13 S 8.88 4.54 0.00 3.95 4.09 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 14 E 8.03 4.93 0.00 1.90 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 0.00 2.27 2.26 0.00 15 V 8.39 4.34 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 0.68 0.00 0.00 0.85 0.00 0.00 16 D 8.59 4.74 0.00 2.68 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 17 P 0.00 4.54 0.00 2.13 2.10 0.00 3.89 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 1.98 1.97 0.00 18 G 8.16 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 19 R 7.83 3.44 0.00 1.67 1.78 0.00 3.45 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 20 Y 7.58 5.54 0.00 3.00 2.80 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 21 N 8.75 4.73 0.00 2.73 2.87 0.00 0.00 6.97 7.61 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 22 K 7.71 4.69 0.00 1.60 1.70 0.00 1.72 0.00 0.00 1.95 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 23 V 7.51 4.95 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 0.98 0.00 0.00 0.76 0.00 0.00 24 C 8.35 4.95 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 4.85 0.00 2.10 2.07 0.00 2.92 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 I 9.17 4.96 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.68 0.83 0.00 0.00 27 E 8.70 5.16 0.00 2.06 1.78 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 0.00 2.19 2.27 0.00 28 A 9.17 5.19 1.18 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 0.00 0.00 0.00 29 A 9.75 5.28 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 30 S 8.32 3.87 0.00 4.18 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 31 T 7.87 4.13 4.19 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 1.20 0.00 0.00 32 T 8.59 3.44 4.14 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 1.13 0.00 0.00 33 Q 8.70 4.04 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 34 D 8.70 4.58 0.00 2.68 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 35 Q 8.57 4.67 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 36 C 7.66 5.55 0.00 3.33 2.86 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 37 K 8.51 5.21 0.00 1.77 1.71 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.58 7.81 38 L 8.73 5.04 0.00 1.58 1.12 0.70 -0.15 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 39 T 8.68 5.66 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 1.32 0.00 0.00 40 L 8.37 5.13 0.00 1.57 1.32 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.52 5.17 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.71 4.47 1.68 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.09 0.61 0.00 0.00 43 N 9.45 5.27 0.00 2.83 2.90 0.00 0.00 6.71 7.80 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 44 V 7.90 3.74 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 0.73 0.00 0.00 0.88 0.00 0.00 45 E 8.25 4.52 0.00 1.95 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 2.22 2.24 0.00 46 L 7.93 4.25 0.00 1.98 1.76 0.82 0.77 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 47 F 8.00 5.14 0.00 3.07 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 48 P 0.00 4.08 0.00 2.07 1.97 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 49 V 6.99 3.92 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 0.52 0.00 0.00 0.27 0.00 0.00 50 A 8.86 4.17 1.16 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 0.00 0.00 51 A 9.36 3.83 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 52 Q 6.97 3.51 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 53 D 7.76 5.23 0.00 2.75 2.54 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 54 S 8.61 5.32 0.00 3.89 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 55 L 9.54 5.02 0.00 1.59 1.61 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.16 4.87 4.39 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 1.31 0.00 0.00 57 V 8.97 4.89 2.47 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 1.09 0.00 0.00 0.89 0.00 0.00 58 T 8.39 5.49 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 1.39 0.00 0.00 59 I 9.20 4.57 2.06 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 1.47 1.73 0.92 0.00 0.00 60 A 9.58 4.13 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 61 S 7.77 4.81 0.00 3.91 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 62 S 6.99 4.44 0.00 3.80 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 63 L 8.58 4.08 0.00 1.61 1.62 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.28 3.96 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 1.25 0.00 0.00 77 R 8.26 3.20 0.00 1.90 2.11 0.00 3.25 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 78 S 8.36 4.15 0.00 4.05 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 79 W 8.58 4.56 0.00 3.35 3.38 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 80 R 7.78 4.29 0.00 1.55 1.59 0.00 3.18 0.00 0.00 3.19 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 81 P 0.00 3.79 0.00 1.77 0.49 0.00 3.23 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 82 P 0.00 4.38 0.00 1.99 2.05 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 83 Q 9.00 4.08 0.00 2.01 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 84 A 7.01 4.69 1.22 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 85 G 7.63 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 86 D 7.18 5.34 0.00 2.70 2.73 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 87 R 7.05 4.48 0.00 1.79 1.77 0.00 3.21 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 1.48 1.54 0.00 88 S 8.38 4.28 0.00 3.95 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 89 L 8.06 4.42 0.00 1.96 1.62 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.13 4.03 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 91 D 8.53 4.62 0.00 2.74 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 92 D 7.59 4.53 0.00 2.32 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 93 Y 6.82 4.70 0.00 3.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.39 0.00 2.21 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 95 Y 7.42 4.25 0.00 2.47 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 96 V 7.74 5.53 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 0.86 0.00 0.00 1.11 0.00 0.00 97 M 8.65 5.04 0.00 1.99 1.56 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 98 Y 8.76 5.14 0.00 2.12 2.53 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 99 G 7.29 3.64 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 0.00 0.00 0.00 100 T 8.18 4.87 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 1.19 0.00 0.00 101 A 8.56 5.29 1.05 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 0.00 102 Y 9.66 4.77 0.00 2.86 2.94 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 0.00 103 K 6.70 4.22 0.00 1.34 1.75 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.41 7.81 104 F 8.55 4.72 0.00 2.84 2.92 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 0.00 105 E 8.67 4.55 0.00 1.78 1.67 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 2.22 2.28 0.00 106 E 8.57 4.56 0.00 2.08 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 2.30 2.27 0.00 107 V 8.02 3.75 2.06 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 0.83 0.00 0.00 0.88 0.00 0.00 108 S 8.29 4.31 0.00 4.22 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 0.00 109 K 8.59 4.16 0.00 1.87 2.25 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.33 7.81 110 D 8.54 4.82 0.00 2.79 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 0.00 111 L 7.38 5.06 0.00 1.84 1.54 0.93 0.74 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 0.00 112 I 9.38 4.91 1.81 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 1.17 0.85 0.82 0.00 0.00 113 A 8.67 5.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.56 4.21 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 0.54 0.00 0.00 0.68 0.00 0.00 115 Y 7.63 5.78 0.00 2.03 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 0.00 116 Y 8.74 5.08 0.00 3.17 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 0.00 117 S 8.47 4.70 0.00 3.46 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 0.00 118 F 9.54 4.22 0.00 3.22 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 0.00 119 G 9.04 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 0.00 0.00 0.00 120 G 7.97 3.90 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 0.00 0.00 0.00 121 L 7.97 4.23 0.00 1.94 1.82 0.97 0.78 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 0.00 122 L 9.78 5.25 0.00 1.74 1.67 0.95 0.68 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 0.00 123 M 9.21 5.37 0.00 2.65 2.24 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 2.66 2.87 0.00 124 R 9.03 5.16 0.00 2.13 1.82 0.00 3.16 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 125 L 8.73 5.22 0.00 1.69 1.25 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.85 4.86 0.00 1.99 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 0.00 2.16 2.19 0.00 127 G 8.80 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 0.00 0.00 0.00 0.00 128 N 8.28 4.77 0.00 2.77 2.81 0.00 0.00 6.68 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 0.00 129 Y 6.34 4.66 0.00 3.21 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 0.00 130 R 7.00 4.30 0.00 1.63 1.85 0.00 2.78 0.00 0.00 2.87 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.31 0.00 131 N 7.03 4.64 0.00 2.76 2.68 0.00 0.00 7.00 6.74 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 0.00 132 L 7.92 4.27 0.00 1.68 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.33 5.02 0.00 2.80 3.14 0.00 0.00 6.67 7.36 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 0.00 134 N 7.91 5.01 0.00 2.72 2.88 0.00 0.00 6.93 7.85 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 0.00 135 L 8.26 4.35 0.00 1.72 1.82 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.47 4.30 0.00 1.62 1.31 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.97 1.22 7.81 137 Q 7.85 4.37 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 138 E 9.07 4.04 0.00 2.13 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 2.45 2.38 0.00 139 N 8.13 4.47 0.00 2.89 3.06 0.00 0.00 6.93 7.35 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 0.00 140 A 8.60 3.90 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 0.00 141 Y 8.44 5.01 0.00 3.31 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 0.00 142 L 8.28 4.92 0.00 1.82 1.34 0.91 -0.03 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 0.00 143 L 8.36 5.27 0.00 0.81 1.69 1.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.40 5.10 1.94 0.00 0.00 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 0.81 2.27 1.01 0.00 0.00 145 R 7.98 4.74 0.00 1.97 2.26 0.00 3.30 0.00 0.00 3.92 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 146 R 8.16 4.23 0.00 2.08 2.01 0.00 3.23 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.