NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.3340 8.2929 117.1018 56.5156 63.8320 177.8048 10 I 3.1364 8.9080 118.1011 61.2771 33.4012 172.4929 11 I 4.1287 7.6681 119.1021 60.6015 35.4840 181.3855 12 R 4.4092 8.3023 125.3767 54.3730 30.4141 172.8532 13 F 4.9645 7.6822 115.1481 55.5924 40.7220 173.0794 14 S 4.8209 8.6372 115.1985 56.8589 63.9212 173.2323 15 V 4.5193 8.1690 125.9990 62.0897 34.4147 174.8560 16 S 4.9020 8.1432 122.3509 56.4014 65.0463 171.3345 17 L 4.3457 7.9237 122.4008 54.7864 44.7705 175.1085 18 Q 4.2227 8.3851 124.3579 54.5198 29.1742 174.3531 19 Q 3.9712 8.9605 122.6580 59.2263 29.0314 178.9505 20 N 4.2238 8.2644 117.1436 57.0521 38.8130 176.4140 21 L 4.1685 8.1391 119.9443 56.9510 41.8836 179.1334 22 L 3.8933 7.8154 120.1491 58.0668 42.1631 178.1332 23 D 4.3713 8.2833 119.2904 57.6093 40.8271 178.5290 24 E 3.8588 7.9243 118.8531 59.2808 29.6872 178.2136 25 L 3.8814 8.4948 120.7750 58.7375 42.0008 178.9774 26 D 4.3737 8.5650 118.6974 57.2112 40.7033 178.3757 27 N 4.3034 8.8305 118.0734 56.6410 38.8921 176.7201 28 R 4.0125 8.0307 120.1489 59.8087 29.9520 178.5206 29 I 3.8728 7.6773 119.3870 64.2042 36.8682 178.4934 30 I 3.7177 7.3772 119.3825 64.7046 37.4377 177.8618 31 K 3.4635 8.8985 115.7663 60.9272 31.6244 177.5868 32 N 4.5626 7.2040 124.3524 55.0771 39.4092 175.7305 33 G 3.8828 7.8435 108.1455 45.4755 0.0000 173.5075 34 Y 4.0424 7.7829 116.6789 57.8504 38.3248 176.2543 35 S 4.5109 9.5395 118.9320 60.0315 63.9136 174.8173 36 S 4.6616 7.7317 113.9403 55.8821 66.8360 175.2267 37 R 3.8517 8.4666 121.0406 59.5758 29.8650 179.2397 38 S 4.0883 7.9811 112.3483 61.2702 62.3744 175.7050 39 E 3.9538 8.1912 122.0957 59.0988 29.4561 178.5920 40 L 3.3096 7.7830 120.2291 57.9815 42.0432 179.0673 41 V 3.5603 8.1839 118.5577 65.8097 31.3408 178.0278 42 R 3.8844 7.9171 118.5706 59.5678 29.9922 178.3148 43 D 4.4450 7.9751 118.2125 57.3615 40.6400 178.8289 44 M 4.0057 7.9666 119.3556 58.4182 31.9751 178.4735 45 I 3.7615 8.1234 122.7829 65.3383 37.1074 179.3251 46 R 3.9617 7.7875 119.7402 61.2707 29.5613 179.9298 47 E 4.2901 8.2016 120.3546 59.1571 29.9219 178.9586 48 K 4.1924 8.3650 117.5414 58.2114 31.8815 178.4770 49 L 4.3989 7.5254 118.0017 55.2753 41.9210 177.2119 50 V 4.3926 7.3877 117.9999 62.5175 31.6088 175.5205 51 E 4.4729 7.8921 115.5824 57.2266 32.3475 176.1313 52 D 4.2847 7.8195 118.7921 54.9795 41.4534 176.6752 *58 N 4.5179 8.2876 115.4954 51.3982 38.8878 170.1337 59 P 4.1832 0.0000 0.0000 62.4257 31.9698 174.9482 60 N 4.8450 7.7924 116.5631 52.4729 40.1029 174.8038 61 D 4.7333 8.8717 119.1934 55.8967 41.5047 177.4956 62 E 4.1258 8.5910 119.9535 56.4151 30.7428 181.6870 63 S 4.5605 8.7902 120.3606 57.6081 63.0525 173.3127 64 K 4.7634 9.5032 126.5757 54.5360 36.3236 174.8468 65 I 4.8082 8.1853 121.7279 60.1169 39.9751 174.2018 66 A 5.0963 9.4686 129.7794 50.5454 23.6798 174.7264 67 V 4.7705 8.8134 118.5704 61.1091 34.6475 173.9085 68 L 5.0294 9.1712 130.5770 53.4515 44.2205 174.8653 69 V 4.7639 8.6607 127.1273 61.5369 33.5772 174.5886 70 V 5.1812 9.1304 127.8567 61.3387 34.6092 173.9011 71 I 5.0689 8.7449 128.8191 60.0373 39.3930 174.3547 72 Y 5.3483 8.3278 123.2580 55.5156 42.1133 173.4718 73 D 5.5116 9.4195 121.4968 53.9189 41.6257 176.8376 74 H 4.5422 9.1282 122.0408 57.9691 29.0042 175.5784 75 H 4.6338 8.2292 116.0089 55.5877 28.6462 174.4430 76 Q 4.3243 7.9077 122.7167 54.5533 28.6197 175.2987 77 R 3.9938 8.3428 125.3383 57.5718 30.7505 177.0783 78 E 3.8843 9.0370 119.8410 57.0738 27.4071 176.0927 79 L 3.8631 7.7045 121.8042 58.3451 42.0824 178.5973 80 N 4.1185 8.0213 115.9240 56.3092 38.4108 176.9486 81 Q 3.9173 7.9619 120.3185 59.3924 29.1521 178.4986 82 R 4.0874 8.2067 119.1494 59.3007 29.9863 178.9808 83 M 3.9833 8.2482 118.9926 58.3462 31.9407 178.7889 84 I 3.5803 7.8376 119.9662 64.3709 37.1828 177.9202 85 D 4.3358 8.3125 119.9919 57.7576 40.7726 178.8494 86 I 3.6389 7.9689 120.1740 64.7915 35.5314 178.2514 87 Q 3.9570 8.1381 120.1460 59.5023 28.6446 178.0180 88 H 4.5899 7.9376 116.2331 58.7273 28.7729 177.3870 89 A 4.1595 8.0961 122.4055 54.7152 18.2665 179.3470 90 S 4.3210 8.0850 113.1653 59.8209 63.3231 176.2501 91 G 4.0643 7.5890 108.4895 44.8859 0.0000 173.8681 92 T 4.1291 7.4103 109.5560 61.8530 69.6140 173.1045 93 H 4.8668 8.9083 123.9171 54.6294 31.5333 173.9857 94 V 3.9763 8.3670 126.5938 63.0789 31.4378 175.3257 95 L 4.3614 8.6236 128.1392 56.8418 42.9674 176.7602 96 C 4.7482 7.5509 115.9715 58.6198 34.9186 172.8562 97 T 5.1382 8.5565 121.0403 62.1172 71.7897 173.3734 98 T 4.7838 8.8393 121.1893 62.0983 72.4796 172.5853 99 H 5.5237 9.0617 122.3286 53.9556 31.9725 172.9869 100 I 4.7201 8.6827 115.2988 59.1659 41.5068 174.2182 101 H 4.7359 8.6664 120.5190 55.8004 29.1601 175.6778 102 M 4.1860 8.4488 124.9308 57.4007 32.5046 175.5835 103 D 4.3603 7.2335 117.5849 53.8765 42.0433 176.4288 104 E 3.8731 8.8506 114.0318 58.8900 30.1425 173.0426 105 H 4.8479 8.5023 113.5227 56.3779 30.1052 174.2057 106 N 5.4465 7.9776 116.4930 51.4728 42.9215 173.1828 107 C 5.0510 8.3794 119.1507 57.6903 31.8343 172.5483 108 L 5.1409 8.4463 124.3110 53.2503 44.3299 174.6591 109 E 5.2505 9.6199 126.7473 54.4928 33.4746 174.1386 110 T 5.0787 8.7505 115.9283 59.9387 71.7490 172.7624 111 I 4.8844 8.8580 126.8773 59.5736 40.0786 174.4061 112 I 4.9264 8.6695 129.1872 59.6365 38.8975 175.0500 113 L 5.2530 9.1158 126.7682 54.3670 44.7417 174.8465 114 Q 5.0847 8.8614 118.5333 54.1377 31.9872 175.5477 115 G 4.3707 8.6755 109.8416 46.2138 0.0000 172.1929 116 N 5.6179 8.4323 117.6993 51.1104 38.7731 176.4510 117 S 4.0122 8.1007 114.0574 61.3847 62.4883 177.1723 118 F 4.2197 7.8534 120.2696 60.3189 38.7879 177.5315 119 E 4.2959 9.0258 119.9907 59.0344 29.3233 179.5522 120 I 3.6943 7.6476 119.5433 64.3087 37.2367 178.3832 121 Q 3.8845 7.8762 119.9816 59.0789 28.8524 177.7607 122 R 3.8702 7.9386 119.8772 59.5331 30.0090 177.9004 123 L 3.9014 8.0316 119.9112 58.3991 42.0796 178.7405 124 Q 3.9518 8.0835 119.2808 59.1327 29.0687 178.3426 125 L 3.9627 7.8347 119.8241 57.9139 41.5320 179.3391 126 E 4.0352 8.2254 117.5417 59.1877 29.6675 179.2350 127 I 3.9689 7.9346 120.2300 64.1742 37.0201 178.2894 128 G 3.9305 8.0235 105.6769 47.9808 0.0000 175.1084 129 G 3.8407 7.6343 103.7619 44.1687 0.0000 173.6746 130 L 4.2371 7.5605 122.3434 53.7445 42.4510 176.5550 131 R 4.1097 8.3531 123.3949 57.7484 30.7367 175.7763 132 G 4.0851 9.1326 112.8410 45.4742 0.0000 173.2215 133 V 4.3561 7.2884 119.2857 62.5098 31.7513 175.6081 134 K 4.5079 8.9136 126.9711 57.4052 33.6408 176.8463 135 F 4.6284 7.8667 120.5089 57.1788 42.8739 172.5504 136 A 4.6662 8.3032 127.3817 50.1971 21.3786 174.5482 137 K 4.3298 8.7275 123.0997 55.1716 35.0872 174.6922 138 L 5.0405 8.4959 129.0972 54.1236 43.8686 175.3647 139 T 4.6691 9.0991 124.6317 62.3112 71.4582 173.5949 140 K 4.8647 8.7705 129.2852 53.2699 34.2721 172.8222 141 A 4.3887 8.4849 125.2692 51.3452 18.7715 176.0572 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 9 S 8.29 4.33 0.00 3.67 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 10 I 8.91 3.14 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 1.27 0.89 0.91 0.00 0.00 11 I 7.67 4.13 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 1.16 1.10 0.91 0.00 0.00 12 R 8.30 4.41 0.00 1.82 1.73 0.00 3.25 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 13 F 7.68 4.96 0.00 3.02 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 14 S 8.64 4.82 0.00 3.89 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 15 V 8.17 4.52 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 0.86 0.00 0.00 1.11 0.00 0.00 16 S 8.14 4.90 0.00 3.64 3.59 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 0.00 0.00 0.00 0.00 17 L 7.92 4.35 0.00 1.52 1.51 0.93 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 18 Q 8.39 4.22 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.54 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 19 Q 8.96 3.97 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 20 N 8.26 4.22 0.00 2.87 2.83 0.00 0.00 7.17 6.66 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 21 L 8.14 4.17 0.00 1.89 1.70 0.94 0.74 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 L 7.82 3.89 0.00 1.75 1.65 0.91 1.27 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 23 D 8.28 4.37 0.00 3.02 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 24 E 7.92 3.86 0.00 2.28 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 2.32 2.37 0.00 25 L 8.49 3.88 0.00 1.84 1.85 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.57 4.37 0.00 2.87 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 27 N 8.83 4.30 0.00 2.71 2.81 0.00 0.00 6.78 7.55 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 28 R 8.03 4.01 0.00 2.03 2.19 0.00 3.20 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 29 I 7.68 3.87 2.08 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 1.50 0.61 1.03 0.00 0.00 30 I 7.38 3.72 2.02 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 1.74 0.75 0.93 0.00 0.00 31 K 8.90 3.46 0.00 1.93 1.74 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.85 7.81 32 N 7.20 4.56 0.00 3.09 3.20 0.00 0.00 7.34 8.80 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 33 G 7.84 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 0.00 0.00 0.00 34 Y 7.78 4.04 0.00 3.05 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 35 S 9.54 4.51 0.00 3.96 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 0.00 36 S 7.73 4.66 0.00 3.99 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 37 R 8.47 3.85 0.00 1.84 1.98 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 38 S 7.98 4.09 0.00 3.81 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 39 E 8.19 3.95 0.00 2.16 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 0.00 2.60 2.42 0.00 40 L 7.78 3.31 0.00 1.21 1.52 0.07 0.60 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 41 V 8.18 3.56 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 1.03 0.00 0.00 0.91 0.00 0.00 42 R 7.92 3.88 0.00 2.04 2.15 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 43 D 7.98 4.44 0.00 2.92 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 44 M 7.97 4.01 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 45 I 8.12 3.76 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.95 0.00 0.00 46 R 7.79 3.96 0.00 1.93 1.85 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 47 E 8.20 4.29 0.00 2.25 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 2.32 2.51 0.00 48 K 8.36 4.19 0.00 1.92 1.83 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.62 7.81 49 L 7.53 4.40 0.00 1.73 1.72 0.93 1.27 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 50 V 7.39 4.39 2.09 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 0.79 0.00 0.00 0.98 0.00 0.00 51 E 7.89 4.47 0.00 2.07 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 2.20 2.31 0.00 52 D 7.82 4.28 0.00 2.81 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 *58 N 8.29 4.52 0.00 2.77 2.65 0.00 0.00 6.62 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 59 P 0.00 4.18 0.00 1.58 1.58 0.00 3.92 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 2.03 1.89 0.00 60 N 7.79 4.85 0.00 2.97 2.90 0.00 0.00 7.11 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 61 D 8.87 4.73 0.00 2.75 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 62 E 8.59 4.13 0.00 1.65 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 2.24 2.14 0.00 63 S 8.79 4.56 0.00 3.89 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 64 K 9.50 4.76 0.00 1.64 1.62 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.32 7.81 65 I 8.19 4.81 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 1.28 1.57 0.91 0.00 0.00 66 A 9.47 5.10 1.19 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 0.00 0.00 0.00 67 V 8.81 4.77 2.09 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 1.02 0.00 0.00 0.93 0.00 0.00 68 L 9.17 5.03 0.00 1.74 1.51 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.66 4.76 2.33 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 0.98 0.00 0.00 1.00 0.00 0.00 70 V 9.13 5.18 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 0.96 0.00 0.00 0.98 0.00 0.00 71 I 8.74 5.07 1.95 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 1.17 0.48 0.90 0.00 0.00 72 Y 8.33 5.35 0.00 3.18 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 73 D 9.42 5.51 0.00 2.91 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 74 H 9.13 4.54 0.00 3.27 3.28 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.23 4.63 0.00 3.15 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.91 4.32 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 77 R 8.34 3.99 0.00 1.85 1.86 0.00 3.33 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 78 E 9.04 3.88 0.00 2.17 2.10 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 2.27 2.22 0.00 79 L 7.70 3.86 0.00 1.87 1.59 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.02 4.12 0.00 2.73 2.81 0.00 0.00 6.70 7.95 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 81 Q 7.96 3.92 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 82 R 8.21 4.09 0.00 1.96 1.93 0.00 3.17 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 83 M 8.25 3.98 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 84 I 7.84 3.58 1.97 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 1.48 0.79 0.82 0.00 0.00 85 D 8.31 4.34 0.00 2.81 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 86 I 7.97 3.64 2.03 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 1.57 0.92 0.89 0.00 0.00 87 Q 8.14 3.96 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 88 H 7.94 4.59 0.00 3.33 3.33 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.10 4.16 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 90 S 8.08 4.32 0.00 4.32 4.22 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 91 G 7.59 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 92 T 7.41 4.13 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 93 H 8.91 4.87 0.00 3.25 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.37 3.98 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 0.83 0.00 0.00 0.91 0.00 0.00 95 L 8.62 4.36 0.00 1.66 1.67 0.92 0.91 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 96 C 7.55 4.75 0.00 2.96 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 97 T 8.56 5.14 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 1.33 0.00 0.00 98 T 8.84 4.78 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 99 H 9.06 5.52 0.00 2.98 3.19 0.00 5.64 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 0.00 100 I 8.68 4.72 1.85 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 1.29 0.88 0.91 0.00 0.00 101 H 8.67 4.74 0.00 3.09 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.45 4.19 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 103 D 7.23 4.36 0.00 2.80 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 0.00 104 E 8.85 3.87 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 1.90 0.00 105 H 8.50 4.85 0.00 3.16 3.36 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.98 5.45 0.00 2.50 2.53 0.00 0.00 6.61 7.46 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 0.00 107 C 8.38 5.05 0.00 1.49 2.31 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 0.00 108 L 8.45 5.14 0.00 1.60 1.41 0.81 0.61 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 0.00 109 E 9.62 5.25 0.00 2.07 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 2.17 2.16 0.00 110 T 8.75 5.08 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 1.22 0.00 0.00 111 I 8.86 4.88 1.87 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 1.30 0.90 0.90 0.00 0.00 112 I 8.67 4.93 1.86 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 1.28 0.68 0.91 0.00 0.00 113 L 9.12 5.25 0.00 1.78 1.69 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.86 5.08 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 115 G 8.68 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 0.00 0.00 0.00 0.00 116 N 8.43 5.62 0.00 3.25 3.13 0.00 0.00 6.93 6.75 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 0.00 117 S 8.10 4.01 0.00 3.13 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.22 0.00 3.19 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 0.00 119 E 9.03 4.30 0.00 2.13 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 0.00 2.53 2.47 0.00 120 I 7.65 3.69 1.91 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 1.40 0.96 0.88 0.00 0.00 121 Q 7.88 3.88 0.00 2.20 2.10 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 2.32 2.40 0.00 122 R 7.94 3.87 0.00 2.10 2.14 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 123 L 8.03 3.90 0.00 1.88 1.84 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.08 3.95 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 125 L 7.83 3.96 0.00 1.91 1.68 0.91 0.88 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 0.00 126 E 8.23 4.04 0.00 1.91 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 0.00 2.34 2.56 0.00 127 I 7.93 3.97 2.00 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 1.41 0.86 0.89 0.00 0.00 128 G 8.02 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 0.00 129 G 7.63 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 0.00 130 L 7.56 4.24 0.00 1.81 1.58 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.35 4.11 0.00 1.78 1.85 0.00 3.21 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 1.63 1.65 0.00 132 G 9.13 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 0.00 0.00 0.00 133 V 7.29 4.36 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 0.89 0.00 0.00 0.97 0.00 0.00 134 K 8.91 4.51 0.00 1.75 1.92 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.61 7.81 135 F 7.87 4.63 0.00 3.16 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 0.00 136 A 8.30 4.67 1.14 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 0.00 0.00 137 K 8.73 4.33 0.00 1.22 1.63 0.00 1.37 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.37 7.81 138 L 8.50 5.04 0.00 1.63 1.49 0.90 0.89 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 0.00 139 T 9.10 4.67 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 1.21 0.00 0.00 140 K 8.77 4.86 0.00 1.52 1.56 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 0.98 7.81 141 A 8.48 4.39 1.19 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.