NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4475 8.3349 115.4084 57.3684 65.1396 173.6377 2 K 4.2555 7.7156 121.2704 55.4388 33.0883 174.3008 3 T 5.3994 8.5945 111.9440 60.2355 73.0518 172.3600 4 I 4.5092 8.7809 121.8421 59.1885 41.3619 173.8038 5 V 4.7195 8.4529 128.8314 61.1894 33.4183 174.3172 6 L 4.6846 9.1176 128.3936 53.2081 43.8510 175.4472 7 S 5.1221 8.6232 119.7352 56.7748 65.1178 174.0979 8 V 4.1624 8.4946 124.5053 61.3797 33.0594 176.1269 9 G 3.7321 8.0816 119.6910 47.1832 0.0000 173.1313 10 E 4.2697 8.8960 123.7042 56.0300 29.9135 175.8610 11 A 4.2992 7.9377 123.9372 51.9538 19.3281 176.5076 12 T 5.0824 8.3363 118.1878 61.7254 71.6337 173.8888 13 R 4.5270 9.2833 124.8110 54.8520 33.3768 174.4911 14 T 4.7613 8.5168 121.4472 61.8664 70.8064 173.5514 15 L 4.9707 8.9274 127.6113 53.5085 43.8974 175.6378 16 T 5.0916 8.8628 121.1502 61.3202 71.3230 173.4822 17 E 3.7309 9.2682 128.4012 56.5476 29.4295 176.3072 18 I 4.3888 8.3962 120.3333 61.0450 39.5328 175.4752 19 Q 4.6906 7.5765 123.3874 55.0646 32.6099 173.3221 20 S 4.9209 8.4372 119.9855 57.9754 65.9564 173.3769 21 T 4.6652 8.9022 116.3817 59.0670 71.4800 174.0667 22 A 4.1144 8.7132 123.3776 55.6210 18.2732 179.0326 23 D 4.9459 7.9032 112.4971 53.9944 44.1125 174.6562 24 R 5.1923 8.0800 117.9376 54.9554 33.7319 173.8494 25 Q 5.0599 9.5382 124.3687 54.1589 33.4003 174.1904 26 I 5.0678 8.5954 122.3888 59.6339 40.7292 174.5441 27 F 5.2744 9.6752 125.4803 55.7174 42.3461 174.1495 28 E 5.1179 9.2892 122.4105 54.4486 33.5764 174.2018 29 E 4.7317 8.8952 127.4798 54.4112 29.5553 177.4968 30 K 4.3927 8.2018 131.4340 54.4240 30.8544 176.5307 31 V 4.3696 7.2509 111.7424 61.1965 36.3752 176.5332 32 G 3.8296 8.4796 109.6443 44.2627 0.0000 171.4911 33 P 4.3382 0.0000 0.0000 62.6548 31.8992 177.3333 34 L 4.1860 8.5780 121.5325 57.6812 41.8190 178.4359 35 V 3.9350 7.1113 109.4107 61.5396 32.2711 175.9165 36 G 3.9443 8.7205 110.7242 46.4966 0.0000 174.1345 37 R 4.0248 8.0036 117.6922 55.2352 30.9214 176.5713 38 L 4.2379 8.5111 123.6139 55.8673 43.2898 175.6284 39 R 5.1435 8.8991 125.2399 54.4618 34.0727 173.3348 40 L 5.3078 9.3324 127.4724 53.6308 45.2478 174.8956 41 T 5.2615 9.0413 122.6728 61.7511 71.5065 173.0681 42 A 5.4735 9.3551 127.9488 50.2822 22.5260 174.9609 43 S 5.1528 9.2395 115.1212 56.8314 67.2934 172.6402 44 L 5.3512 8.6602 122.5537 53.4743 44.7128 175.6873 45 R 4.8642 9.0446 121.3788 54.7188 33.4071 174.1112 46 Q 4.7774 8.5618 118.8443 54.7081 30.5795 175.3847 47 N 4.5378 8.6839 120.2165 52.2035 38.6397 176.2222 48 G 3.6109 8.7978 107.6672 48.6622 0.0000 174.5339 49 A 4.0797 7.8899 119.9209 51.8858 18.8605 176.9733 50 K 3.7237 7.7246 115.7895 57.4684 31.2287 175.6225 51 T 4.5520 8.0233 106.2259 61.2017 70.6114 173.3559 52 A 5.0146 7.7343 122.8517 51.0095 23.2552 174.1999 53 Y 5.0378 9.3819 117.0118 56.2326 41.2050 175.1048 54 R 5.0545 9.3031 123.8005 54.7320 32.7721 174.3663 55 V 4.8394 8.8737 127.5629 61.3345 33.5764 173.8027 56 N 5.6448 9.1880 126.6618 51.8082 42.0263 172.9344 57 L 5.2471 8.9001 124.9238 52.8412 45.7919 175.3164 58 K 4.8407 9.3954 125.0392 54.6312 35.2883 174.4045 59 L 4.9740 8.9788 131.0200 53.8998 43.8814 174.6363 60 D 5.3321 9.2798 127.4090 52.6763 43.3270 175.2137 61 Q 4.5027 9.3440 125.6537 54.1539 31.1223 174.2347 62 A 4.6375 8.6007 128.5436 51.4927 20.1569 175.7475 63 D 4.5452 8.6981 121.4305 52.5607 42.8732 175.1167 64 V 4.7293 8.2365 126.4780 61.2867 32.8527 175.7145 65 V 4.2023 8.5764 125.7146 61.2485 32.2010 174.5319 *76 P 4.3252 0.0000 0.0000 62.0349 33.0411 176.1201 77 K 4.3988 7.4992 120.3971 54.4861 34.7952 174.8575 78 V 4.0776 8.4115 126.7697 62.4593 31.7303 175.7259 79 R 4.1766 8.5878 125.5934 58.9918 30.0504 175.9193 80 Y 4.9486 6.8722 113.9309 56.2009 41.2912 173.6235 81 T 5.1998 8.6370 116.1201 62.0354 71.9599 173.4621 82 Q 4.8881 9.2108 124.6074 54.2316 32.1432 174.8137 83 V 4.9776 8.2824 120.6657 61.0217 35.0724 174.3405 84 W 4.7873 9.3581 135.0000 56.0109 33.0358 173.9055 85 S 5.5113 8.8820 123.0961 57.2703 65.0746 173.4668 86 H 5.0554 9.5452 119.8521 54.0631 32.1683 172.4029 87 D 5.1471 8.8666 121.4536 52.6929 43.6318 174.5410 88 V 4.4026 9.0700 127.4031 61.4775 33.8475 174.3256 89 T 4.9503 8.6395 124.8765 62.2272 70.0406 174.0447 90 I 4.5032 8.8784 128.7271 59.2805 39.9452 175.3820 91 V 4.0829 8.4650 127.6466 62.4104 32.2074 176.7447 92 A 4.2963 9.1207 132.1088 55.3210 18.3619 178.0361 93 N 4.8807 7.9878 111.1053 52.9493 37.8491 175.4628 94 S 4.4428 7.7424 113.4742 58.7014 64.1296 174.3909 95 T 4.2305 7.7128 112.8137 61.1895 70.7407 175.3915 96 E 3.8758 8.7153 122.8896 59.5390 29.6603 178.8744 97 A 4.0278 8.1024 120.4972 55.4021 18.3924 179.6255 98 S 4.0877 8.1836 112.5917 61.6201 63.0493 177.0452 99 R 3.9523 7.8920 121.4181 58.8173 29.8574 178.7829 100 K 3.9655 8.4447 119.9214 59.5439 32.1483 178.7760 101 S 4.0854 8.3797 113.5442 61.2342 62.3514 175.6672 102 L 3.9439 7.9738 123.0665 58.3804 41.7245 178.2440 103 Y 3.9698 8.1930 119.2004 60.9902 38.8031 177.8490 104 D 4.1933 8.6567 120.0635 57.3709 40.8476 178.9227 105 L 4.0020 8.3895 119.8786 57.9578 41.5907 179.7760 106 T 3.8328 7.8217 115.8408 66.2584 68.5425 176.5764 107 K 3.6201 7.8450 122.0177 59.6643 31.8554 178.6980 108 S 4.0340 7.6981 111.8604 61.0657 62.6005 175.4253 109 L 4.0843 8.0521 123.2567 58.3943 41.6577 179.2458 110 V 3.7029 7.6552 116.3289 65.8336 31.5526 177.3055 111 A 4.1559 7.7124 118.4267 52.9153 18.9750 177.8844 112 T 4.0819 7.2637 108.9463 61.0015 69.7247 175.9177 113 S 4.1763 8.6774 118.6302 61.7324 62.8362 176.7783 114 Q 3.9674 8.0304 121.2061 58.9312 28.5517 178.7916 115 V 3.6203 7.8556 119.2634 65.6832 31.4740 177.5336 116 E 3.9975 8.1653 118.9815 59.6875 29.5332 178.7509 117 D 4.4068 8.4547 118.9742 56.9275 40.8959 178.6119 118 L 4.4328 8.0525 122.5124 57.8578 41.9694 179.3044 119 V 3.5233 7.5648 116.7686 65.7205 31.5383 177.7137 120 V 3.9085 8.0756 117.3898 64.7940 31.4059 176.7743 121 N 4.8848 7.9574 112.9581 51.5698 39.3629 174.5595 122 L 3.6616 7.6782 118.7149 55.6209 40.1621 174.5016 123 V 4.1040 6.9758 115.2821 60.5618 32.2046 173.6254 124 P 4.5419 0.0000 0.0000 62.2884 31.8394 176.3002 125 L 4.0336 8.1232 120.6638 55.6038 42.1812 177.5891 126 G 4.0575 9.9012 109.6398 46.0839 0.0000 174.3724 127 R 4.1867 8.2596 122.0340 56.4659 31.1837 175.0062 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 S 8.33 4.45 0.00 4.00 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 2 K 7.72 4.26 0.00 2.01 1.88 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 3 T 8.59 5.40 4.37 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 1.31 0.00 0.00 4 I 8.78 4.51 1.51 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.57 0.38 0.00 0.00 5 V 8.45 4.72 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 0.85 0.00 0.00 0.92 0.00 0.00 6 L 9.12 4.68 0.00 1.53 1.50 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.62 5.12 0.00 3.71 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 8 V 8.49 4.16 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 0.98 0.00 0.00 0.91 0.00 0.00 9 G 8.08 3.73 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 10 E 8.90 4.27 0.00 1.96 1.99 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 2.27 2.24 0.00 11 A 7.94 4.30 1.33 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 0.00 0.00 0.00 12 T 8.34 5.08 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 1.20 0.00 0.00 13 R 9.28 4.53 0.00 1.69 1.80 0.00 3.25 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 14 T 8.52 4.76 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 1.23 0.00 0.00 15 L 8.93 4.97 0.00 1.68 1.69 0.86 0.46 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 16 T 8.86 5.09 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 1.28 0.00 0.00 17 E 9.27 3.73 0.00 1.47 1.64 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 1.96 1.47 0.00 18 I 8.40 4.39 1.83 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 1.15 0.76 0.94 0.00 0.00 19 Q 7.58 4.69 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 20 S 8.44 4.92 0.00 3.80 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 21 T 8.90 4.67 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 22 A 8.71 4.11 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 23 D 7.90 4.95 0.00 2.57 2.79 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 24 R 8.08 5.19 0.00 1.96 1.71 0.00 3.05 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 25 Q 9.54 5.06 0.00 2.09 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 26 I 8.60 5.07 1.82 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 1.25 0.84 0.93 0.00 0.00 27 F 9.68 5.27 0.00 2.92 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 28 E 9.29 5.12 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 29 E 8.90 4.73 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 30 K 8.20 4.39 0.00 1.80 1.77 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.65 7.81 31 V 7.25 4.37 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 0.63 0.00 0.00 0.98 0.00 0.00 32 G 8.48 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 0.00 0.00 0.00 33 P 0.00 4.34 0.00 2.34 1.99 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 34 L 8.58 4.19 0.00 1.63 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.11 3.94 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 0.64 0.00 0.00 0.92 0.00 0.00 36 G 8.72 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.00 4.02 0.00 1.98 2.04 0.00 3.23 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 38 L 8.51 4.24 0.00 1.78 1.57 1.01 0.77 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 39 R 8.90 5.14 0.00 2.09 1.73 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 40 L 9.33 5.31 0.00 1.74 1.54 0.97 0.43 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 41 T 9.04 5.26 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 1.31 0.00 0.00 42 A 9.36 5.47 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 43 S 9.24 5.15 0.00 3.96 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 44 L 8.66 5.35 0.00 1.68 1.74 0.90 1.04 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 45 R 9.04 4.86 0.00 1.89 1.98 0.00 2.83 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 46 Q 8.56 4.78 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 47 N 8.68 4.54 0.00 2.82 2.93 0.00 0.00 6.99 6.54 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 48 G 8.80 3.61 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 0.00 0.00 0.00 49 A 7.89 4.08 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 50 K 7.72 3.72 0.00 1.85 1.80 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.28 7.81 51 T 8.02 4.55 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 1.20 0.00 0.00 52 A 7.73 5.01 1.20 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 0.00 0.00 0.00 53 Y 9.38 5.04 0.00 2.85 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 54 R 9.30 5.05 0.00 1.88 1.81 0.00 3.16 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 55 V 8.87 4.84 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 0.89 0.00 0.00 0.97 0.00 0.00 56 N 9.19 5.64 0.00 2.89 2.66 0.00 0.00 6.55 7.25 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 57 L 8.90 5.25 0.00 1.67 1.52 0.82 0.52 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 58 K 9.40 4.84 0.00 1.82 1.70 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.42 7.81 59 L 8.98 4.97 0.00 1.85 1.73 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.28 5.33 0.00 2.63 2.60 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 61 Q 9.34 4.50 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 A 8.60 4.64 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 63 D 8.70 4.55 0.00 1.81 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 64 V 8.24 4.73 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 0.89 0.00 0.00 0.94 0.00 0.00 65 V 8.58 4.20 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 0.84 0.00 0.00 0.93 0.00 0.00 *76 P 0.00 4.33 0.00 2.22 2.25 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 77 K 7.50 4.40 0.00 1.73 1.62 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.39 7.81 78 V 8.41 4.08 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 0.91 0.00 0.00 0.90 0.00 0.00 79 R 8.59 4.18 0.00 2.04 2.04 0.00 3.31 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 80 Y 6.87 4.95 0.00 3.03 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 81 T 8.64 5.20 4.31 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 1.26 0.00 0.00 82 Q 9.21 4.89 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 83 V 8.28 4.98 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 0.92 0.00 0.00 1.07 0.00 0.00 84 W 9.36 4.79 0.00 3.50 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 85 S 8.88 5.51 0.00 3.83 3.82 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 86 H 9.55 5.06 0.00 3.05 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.87 5.15 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.07 4.40 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 1.07 0.00 0.00 1.00 0.00 0.00 89 T 8.64 4.95 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 1.24 0.00 0.00 90 I 8.88 4.50 2.01 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 1.16 0.92 0.96 0.00 0.00 91 V 8.47 4.08 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 1.03 0.00 0.00 0.96 0.00 0.00 92 A 9.12 4.30 1.33 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 0.00 0.00 0.00 93 N 7.99 4.88 0.00 2.84 2.93 0.00 0.00 6.04 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 94 S 7.74 4.44 0.00 4.06 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 95 T 7.71 4.23 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 1.22 0.00 0.00 96 E 8.72 3.88 0.00 2.04 1.99 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 2.37 2.37 0.00 97 A 8.10 4.03 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 98 S 8.18 4.09 0.00 4.10 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 99 R 7.89 3.95 0.00 1.99 2.03 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 100 K 8.44 3.97 0.00 1.90 2.07 0.00 1.76 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.54 7.81 101 S 8.38 4.09 0.00 4.00 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 0.00 102 L 7.97 3.94 0.00 1.95 1.88 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.19 3.97 0.00 3.13 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 0.00 104 D 8.66 4.19 0.00 2.82 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 0.00 105 L 8.39 4.00 0.00 1.68 1.70 0.93 0.71 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 0.00 106 T 7.82 3.83 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 1.21 0.00 0.00 107 K 7.84 3.62 0.00 1.09 1.62 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.31 7.81 108 S 7.70 4.03 0.00 3.87 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 0.00 109 L 8.05 4.08 0.00 1.87 1.85 0.94 1.11 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 0.00 110 V 7.66 3.70 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.00 0.00 0.00 111 A 7.71 4.16 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 0.00 112 T 7.26 4.08 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 1.27 0.00 0.00 113 S 8.68 4.18 0.00 4.08 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 0.00 114 Q 8.03 3.97 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 115 V 7.86 3.62 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 1.24 0.00 0.00 1.05 0.00 0.00 116 E 8.17 4.00 0.00 2.16 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 2.35 2.41 0.00 117 D 8.45 4.41 0.00 2.85 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 0.00 118 L 8.05 4.43 0.00 1.90 1.84 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.56 3.52 2.16 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 0.89 0.00 0.00 0.66 0.00 0.00 120 V 8.08 3.91 2.19 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 0.92 0.00 0.00 1.03 0.00 0.00 121 N 7.96 4.88 0.00 2.91 2.76 0.00 0.00 7.05 6.12 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 0.00 122 L 7.68 3.66 0.00 1.80 1.71 0.88 0.58 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 0.00 123 V 6.98 4.10 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 0.97 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.54 0.00 2.06 1.96 0.00 3.72 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 2.01 2.09 0.00 125 L 8.12 4.03 0.00 1.62 1.61 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.90 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.26 4.19 0.00 1.75 1.76 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.