NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2431 8.3344 116.7850 58.4331 65.1629 173.7807 -7 D 5.2054 7.5215 124.3647 51.2937 40.7835 174.3020 -6 P 4.1148 0.0000 0.0000 65.5103 32.2264 177.7113 -5 S 5.0153 8.2345 111.2748 58.5128 63.1403 174.5496 -4 S 4.7702 8.3890 117.2999 58.4162 63.9752 176.1118 -3 I 4.4177 7.8475 121.9585 62.9842 37.7908 177.7055 -2 N 5.0945 7.5243 115.6974 52.1520 39.5289 176.1735 -1 G 3.9898 7.8799 107.2562 44.6434 0.0000 172.4451 -7 G 4.5254 7.5115 112.7647 42.1937 0.0000 172.9020 -6 I 3.8648 9.2780 128.5856 63.3103 38.9264 176.8113 -5 V 4.6653 7.9545 114.7748 62.4128 32.2403 176.2496 -4 V 4.4202 8.1090 120.7999 62.3162 33.0752 177.8118 -3 A 4.5677 8.0875 125.8585 54.3842 18.0908 179.1055 -2 M 4.8345 7.4043 116.5974 54.4520 33.5289 177.2735 -1 T 4.3798 7.6999 112.0562 61.3434 68.2211 172.2451 8 G 3.9123 8.4742 111.3228 44.3128 0.0000 171.5193 9 K 3.9861 8.6180 121.7006 56.9094 31.6895 177.1437 10 D 4.6007 8.7476 126.7421 54.6347 38.5886 173.0965 11 C 4.6972 7.3156 111.7859 57.6563 32.7288 172.5338 12 V 4.9706 7.8271 111.5931 59.8986 35.3147 174.5854 13 A 4.6824 8.4059 123.5113 50.2060 22.2013 175.3480 14 I 5.2127 8.1613 120.0010 59.3950 40.8243 174.0833 15 A 4.9981 8.5304 129.7816 50.6292 22.4106 174.2247 16 C 5.3612 8.2519 112.1892 57.3547 32.4871 173.3169 17 D 4.7273 8.5726 120.4865 52.7546 41.1985 175.7373 18 L 5.0535 8.2019 114.3956 53.6280 43.3879 176.6837 19 R 4.7571 8.0860 119.4346 56.2752 31.3915 175.9886 20 L 4.4467 8.7193 126.4799 54.1891 45.1191 174.6366 21 G 4.4954 8.4555 113.0979 44.5484 0.0000 171.8552 22 S 4.5882 8.9949 113.5342 55.6005 62.8040 175.4254 23 Q 3.5763 8.6254 128.4078 56.4399 27.0414 177.4095 24 S 4.1527 8.8313 121.8594 61.4050 63.2149 173.8082 25 L 4.1865 7.8033 124.3662 53.8744 42.0105 175.9595 26 G 3.9898 8.5773 115.9102 45.4455 0.0000 172.5598 27 V 4.2054 8.6487 122.7948 63.5181 33.8597 175.9171 28 S 4.6930 7.6988 112.4554 56.6769 65.3077 173.1623 29 N 5.0314 8.8699 122.5249 52.6790 37.3368 174.4926 30 K 4.6128 8.0979 116.1930 56.7074 33.7452 176.8763 31 F 4.5677 8.5697 125.5052 57.0876 38.9123 174.0870 32 E 4.0369 8.1928 123.9731 55.6533 30.3770 176.6049 33 K 4.2739 8.3747 120.7977 55.9943 33.9629 175.0745 34 I 4.7230 6.9182 120.7152 59.4904 39.5110 174.7844 35 F 4.9635 9.2213 124.0636 56.1672 44.1047 173.1183 36 H 4.9915 7.4582 113.6125 53.6888 31.9591 172.4980 *38 Y 4.6989 7.9530 116.7803 58.7793 39.0528 175.6719 39 G 3.9253 8.1442 117.3604 47.2587 0.0000 173.0383 40 H 4.7081 8.9493 120.1603 54.8769 28.9634 174.0915 41 V 4.2154 7.3881 121.7375 61.8368 32.9852 174.5398 42 F 5.0549 9.3475 126.7661 55.6846 42.0241 174.5246 43 L 5.2326 9.4012 124.2521 53.5404 45.2895 175.0999 44 G 4.5249 9.4512 114.1188 44.7283 0.0000 172.1628 45 I 5.1506 9.0324 124.5941 59.6081 40.4972 175.3097 46 T 4.4729 8.4012 117.0497 60.1192 71.7906 172.2080 47 G 4.1019 8.7521 104.9964 43.8863 0.0000 172.9415 48 L 4.1184 8.9549 123.7651 55.0402 42.5995 178.2585 49 A 4.1481 10.0642 128.8020 56.0087 18.1760 178.9009 50 T 3.8513 8.0342 110.6497 65.6729 67.3344 175.6546 51 D 4.4154 8.1722 120.1881 56.8476 40.9731 178.7421 52 V 3.6577 7.9370 119.0308 66.3414 31.6196 178.2329 53 T 3.8241 8.4135 115.8086 66.9814 68.2466 176.8334 54 T 3.7611 7.9708 117.5768 66.6007 68.3647 176.7770 55 L 3.3991 8.1195 121.2145 57.4204 41.4790 179.1011 56 N 4.4787 7.7573 118.3248 56.2754 38.7922 176.8248 57 E 3.9159 7.9708 119.9563 59.4361 29.3755 179.1444 58 M 3.7338 7.8531 118.4651 58.6631 32.2184 178.4239 59 F 4.2912 7.9426 118.0993 60.0235 38.9812 177.8519 60 R 3.8266 8.1944 118.9253 59.4896 29.9816 177.5846 61 Y 4.0677 7.9315 119.3368 61.0355 38.7257 178.5932 62 K 4.2711 8.6123 119.7367 59.6927 32.2073 179.5551 63 T 4.0260 8.3963 110.2887 64.3491 68.6548 176.7166 64 N 4.3362 8.2893 119.8184 56.4246 38.7130 177.3482 65 L 4.0114 7.7768 119.9117 57.6752 41.6306 178.9259 66 Y 3.9795 8.2714 119.6745 60.6853 38.7430 178.1118 67 K 4.4076 8.2084 121.7991 59.1337 32.0653 178.6722 68 L 3.9729 7.7933 118.1811 57.2900 41.5363 179.1363 69 K 4.1719 7.6339 117.1646 58.9897 32.6381 178.8637 70 E 3.8850 8.3256 117.3683 56.7269 29.4482 176.8112 71 E 3.9155 8.3413 117.2853 56.5331 27.6398 174.2102 72 R 4.5542 7.3895 111.0244 55.0502 31.9470 173.8072 73 A 4.3109 8.4457 122.5766 51.7253 19.2161 177.6138 74 I 3.7539 8.1095 121.2589 60.9487 38.5672 176.0114 75 E 4.5738 8.2994 125.1863 54.2519 32.4723 175.6824 76 P 4.3466 0.0000 0.0000 66.1192 31.3136 178.7942 77 E 3.9931 8.1905 116.5279 59.8851 29.4593 179.5705 78 T 3.9079 7.8455 115.1732 66.5266 68.5495 176.4744 79 F 4.0502 8.5775 123.0422 61.5000 39.3885 177.1488 80 T 3.6778 8.0683 115.3912 66.8425 68.2552 176.5449 81 Q 3.9430 7.6856 119.9574 58.7808 28.6953 178.5203 82 L 3.9210 7.7221 121.4488 57.8204 41.9504 179.3151 83 V 3.3365 7.4942 118.6415 65.8259 31.4696 177.6971 84 S 4.0886 7.9113 113.1198 61.7128 62.0912 176.4996 85 S 4.2212 8.1747 116.5948 61.4525 62.5208 176.5734 86 S 4.1822 7.9519 118.2659 61.2645 62.8119 176.3445 87 L 4.2266 8.3208 121.9958 58.0986 41.5036 178.9180 88 Y 3.7995 8.2031 119.2782 60.3929 38.3982 177.6201 89 E 4.0425 7.9644 119.2075 57.9468 29.8459 177.1453 90 R 4.4234 7.6234 118.3672 55.4408 30.9457 178.0473 91 R 3.1787 7.1325 120.7456 59.0669 29.7907 176.9886 92 F 4.8569 7.2961 112.8508 56.7695 39.7008 176.6441 93 G 4.0751 7.5441 105.1197 44.1586 0.0000 172.2614 94 P 4.0515 0.0000 0.0000 62.3938 32.5425 176.0603 95 Y 4.1738 7.7503 117.1287 57.8628 38.8859 176.8186 96 F 4.7790 9.0980 125.0098 56.4460 37.5049 174.7294 97 V 5.0376 7.8480 113.8190 59.6447 36.7053 176.0912 98 G 4.1492 8.9412 108.7783 43.8512 0.0000 170.4474 99 P 5.1119 0.0000 0.0000 62.6345 33.0032 175.8323 100 V 4.4456 8.8916 121.7099 61.5131 34.8857 173.8872 101 V 5.1013 8.6202 127.3412 61.3472 33.5728 174.5412 102 A 4.7492 9.2498 128.2002 49.7991 22.9199 175.5778 103 G 4.2539 7.7556 107.8696 46.7283 0.0000 171.6160 104 I 4.6340 8.0330 120.1312 58.9337 39.6779 175.6838 105 N 4.9732 8.7580 121.4739 53.4823 38.7639 174.3572 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 -8 S 8.33 4.24 0.00 3.84 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 -7 D 7.52 5.21 0.00 2.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.11 0.00 1.22 1.44 0.00 3.25 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.56 0.00 -5 S 8.23 5.02 0.00 4.03 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 -4 S 8.39 4.77 0.00 3.78 3.78 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 0.00 0.00 0.00 -3 I 7.85 4.42 1.84 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 1.46 0.67 0.88 0.00 0.00 -2 N 7.52 5.09 0.00 2.75 2.73 0.00 0.00 7.55 7.59 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 -1 G 7.88 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 -7 G 7.51 4.53 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 0.00 0.00 0.00 -6 I 9.28 3.86 1.87 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 1.41 1.13 0.91 0.00 0.00 -5 V 7.95 4.67 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 8.11 4.42 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 0.98 0.00 0.00 0.93 0.00 0.00 -3 A 8.09 4.57 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 -2 M 7.40 4.83 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.70 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 8 G 8.47 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.62 3.99 0.00 1.84 1.72 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.51 7.81 10 D 8.75 4.60 0.00 2.83 2.71 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 11 C 7.32 4.70 0.00 3.15 2.96 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 12 V 7.83 4.97 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 0.67 0.00 0.00 0.88 0.00 0.00 13 A 8.41 4.68 1.10 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 0.00 0.00 14 I 8.16 5.21 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.10 0.74 0.00 0.00 15 A 8.53 5.00 1.15 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 16 C 8.25 5.36 0.00 3.09 2.83 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 17 D 8.57 4.73 0.00 2.72 2.75 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 18 L 8.20 5.05 0.00 1.64 1.78 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.09 4.76 0.00 1.86 1.99 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.72 4.45 0.00 1.59 1.39 0.75 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.46 4.50 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 22 S 8.99 4.59 0.00 3.79 3.68 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 23 Q 8.63 3.58 0.00 2.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.83 4.15 0.00 3.97 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 25 L 7.80 4.19 0.00 1.74 1.73 0.92 1.34 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 26 G 8.58 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 27 V 8.65 4.21 2.20 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 0.78 0.00 0.00 0.97 0.00 0.00 28 S 7.70 4.69 0.00 3.86 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 29 N 8.87 5.03 0.00 2.86 2.87 0.00 0.00 5.88 7.13 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 30 K 8.10 4.61 0.00 1.68 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.57 4.57 0.00 3.19 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 32 E 8.19 4.04 0.00 1.59 1.61 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 2.22 2.23 0.00 33 K 8.37 4.27 0.00 1.62 2.00 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.56 7.81 34 I 6.92 4.72 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.77 1.00 0.00 0.00 35 F 9.22 4.96 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 36 H 7.46 4.99 0.00 1.92 1.68 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.70 0.00 2.70 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 39 G 8.14 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 0.00 0.00 0.00 40 H 8.95 4.71 0.00 3.34 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.39 4.22 1.80 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 0.68 0.00 0.00 0.70 0.00 0.00 42 F 9.35 5.05 0.00 3.11 2.91 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 0.00 0.00 0.00 43 L 9.40 5.23 0.00 2.00 1.75 1.17 1.71 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 44 G 9.45 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.03 5.15 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.24 1.06 0.00 0.00 46 T 8.40 4.47 4.32 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 1.28 0.00 0.00 47 G 8.75 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 0.00 0.00 0.00 48 L 8.95 4.12 0.00 1.99 1.77 0.99 1.59 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 49 A 10.06 4.15 1.09 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 0.00 0.00 50 T 8.03 3.85 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 1.29 0.00 0.00 51 D 8.17 4.42 0.00 3.07 2.78 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 0.00 0.00 0.00 52 V 7.94 3.66 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 1.39 0.00 0.00 1.23 0.00 0.00 53 T 8.41 3.82 4.45 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 1.25 0.00 0.00 54 T 7.97 3.76 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 1.02 0.00 0.00 55 L 8.12 3.40 0.00 1.60 1.69 0.92 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.76 4.48 0.00 1.55 2.38 0.00 0.00 6.84 7.76 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 57 E 7.97 3.92 0.00 2.11 1.95 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 2.30 2.40 0.00 58 M 7.85 3.73 0.00 1.50 1.63 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 59 F 7.94 4.29 0.00 2.94 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 60 R 8.19 3.83 0.00 2.17 2.15 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 61 Y 7.93 4.07 0.00 3.15 2.96 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 K 8.61 4.27 0.00 1.97 1.98 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.56 1.63 7.81 63 T 8.40 4.03 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 1.00 0.00 0.00 64 N 8.29 4.34 0.00 2.91 2.86 0.00 0.00 6.85 6.04 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 65 L 7.78 4.01 0.00 1.77 1.75 0.96 0.90 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 66 Y 8.27 3.98 0.00 3.19 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 67 K 8.21 4.41 0.00 2.15 1.97 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 68 L 7.79 3.97 0.00 1.84 1.70 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.63 4.17 0.00 1.61 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.60 7.81 70 E 8.33 3.88 0.00 1.53 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 1.63 1.47 0.00 71 E 8.34 3.92 0.00 2.09 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 2.22 2.19 0.00 72 R 7.39 4.55 0.00 2.00 2.00 0.00 3.03 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 73 A 8.45 4.31 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 74 I 8.11 3.75 1.05 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 1.18 0.03 0.67 0.00 0.00 75 E 8.30 4.57 0.00 2.05 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 2.42 2.39 0.00 76 P 0.00 4.35 0.00 2.19 2.15 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 77 E 8.19 3.99 0.00 2.08 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 2.42 2.49 0.00 78 T 7.85 3.91 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 1.24 0.00 0.00 79 F 8.58 4.05 0.00 3.03 3.14 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 80 T 8.07 3.68 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 81 Q 7.69 3.94 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 82 L 7.72 3.92 0.00 1.68 1.49 0.98 0.76 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 83 V 7.49 3.34 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 0.90 0.00 0.00 -0.44 0.00 0.00 84 S 7.91 4.09 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 85 S 8.17 4.22 0.00 4.12 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 86 S 7.95 4.18 0.00 4.24 3.97 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 87 L 8.32 4.23 0.00 1.90 1.76 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.20 3.80 0.00 3.17 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 89 E 7.96 4.04 0.00 2.12 2.20 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 2.28 2.33 0.00 90 R 7.62 4.42 0.00 1.68 1.67 0.00 2.98 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.13 0.00 91 R 7.13 3.18 0.00 0.67 1.04 0.00 2.68 0.00 0.00 2.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.30 4.86 0.00 3.00 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 93 G 7.54 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 0.00 0.00 0.00 0.00 94 P 0.00 4.05 0.00 1.89 1.81 0.00 3.56 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 1.45 1.81 0.00 95 Y 7.75 4.17 0.00 2.92 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 96 F 9.10 4.78 0.00 3.07 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 97 V 7.85 5.04 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 0.81 0.00 0.00 1.08 0.00 0.00 98 G 8.94 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 99 P 0.00 5.11 0.00 1.99 2.08 0.00 3.69 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 2.11 2.19 0.00 100 V 8.89 4.45 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 0.99 0.00 0.00 0.97 0.00 0.00 101 V 8.62 5.10 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 0.97 0.00 0.00 1.12 0.00 0.00 102 A 9.25 4.75 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 0.00 103 G 7.76 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 0.00 0.00 0.00 0.00 104 I 8.03 4.63 1.91 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 1.31 0.73 0.92 0.00 0.00 105 N 8.76 4.97 0.00 2.71 2.73 0.00 0.00 7.19 7.56 0.00 0.00 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.