NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3742 8.3049 120.3442 55.6250 33.3648 174.9652 2 K 3.9173 8.0124 120.5428 55.6825 35.9043 175.4624 3 T 3.9628 7.0682 123.5625 66.3153 69.7172 176.2709 4 Y 4.2867 5.3700 119.6493 59.7108 39.7057 177.1544 5 V 3.3205 8.0223 119.9442 58.2559 33.1178 174.8084 6 P 4.6869 0.0000 0.0000 62.4035 33.2345 174.8357 7 K 4.5459 8.2697 115.8055 55.2918 36.1774 175.0695 8 Q 3.7982 8.3164 119.2431 55.9344 27.6860 177.8871 9 V 3.9524 8.0756 122.9054 61.6663 32.6702 175.3965 10 E 4.2190 8.5586 126.3857 54.0853 29.0485 174.1270 11 P 4.3708 0.0000 0.0000 63.3159 31.4210 175.9254 12 R 4.4186 8.6612 124.1715 55.8494 31.4183 175.0243 13 W 5.2447 8.2509 121.9444 55.2578 31.6688 175.7649 14 V 4.5840 8.8980 121.7807 61.2653 34.7929 173.9354 15 L 5.2722 8.1949 128.2290 53.8344 45.2249 174.4698 16 I 4.2269 7.5536 120.4883 60.6607 42.1403 172.1328 17 D 5.3257 8.2860 122.3672 53.8062 42.4423 175.7073 18 A 4.4727 7.9620 132.6674 56.4828 19.5139 181.3490 19 E 3.7425 8.2373 122.1913 59.7442 31.1573 178.9886 20 G 4.1516 7.7285 107.6048 45.3539 0.0000 172.8194 21 K 4.8115 7.9397 119.7931 53.9419 36.5551 175.3200 22 T 5.0247 8.6319 115.7247 60.7262 69.7424 173.8436 23 L 4.1116 8.5316 127.3139 57.2326 41.0726 176.4316 24 G 4.4391 9.3114 116.9876 46.2548 0.0000 176.2269 25 R 3.8930 7.6178 118.6772 57.9920 30.5869 177.8476 26 L 4.1442 8.0638 119.8449 57.1571 42.9476 178.2123 27 A 3.9789 8.2686 119.8087 56.2666 18.3757 179.4787 28 T 3.7471 8.0880 113.8981 67.0274 68.4628 176.4248 29 K 4.0189 8.1203 119.7751 59.6661 32.1549 179.6102 30 I 3.6799 7.9952 119.8195 63.7232 36.7501 178.3283 31 A 4.0159 7.6814 121.2562 55.2954 18.6607 179.4504 32 T 3.7431 8.2694 114.4782 66.5337 68.0770 176.3580 33 L 3.9831 8.0854 122.2732 57.6613 42.2990 178.6163 34 L 3.9679 7.8945 118.4991 55.8157 41.5333 176.9537 35 R 4.9975 6.9397 117.2343 54.0400 32.9813 177.1522 36 G 4.0272 8.7605 110.0534 45.4536 0.0000 173.7003 37 K 3.4867 7.5300 119.7263 58.2367 33.3032 177.5358 38 H 4.4829 7.9342 113.7184 57.5529 29.4525 176.2087 39 R 4.0538 7.3393 117.8195 54.9212 29.7487 175.5549 40 P 4.7044 0.0000 0.0000 63.7478 30.8663 176.6844 41 D 4.2737 8.8680 121.1099 56.8763 41.3174 178.0785 42 W 4.3317 7.3267 125.2302 57.7007 28.8779 174.8337 43 T 3.9198 7.2565 123.7149 60.5139 69.5254 172.7878 44 P 3.3297 0.0000 0.0000 64.3477 31.1024 177.0524 45 N 4.9122 7.6703 114.6836 52.2245 37.5322 175.2178 46 V 4.0684 7.4015 118.1406 60.8473 33.3801 173.3971 47 A 3.5343 7.9840 124.0219 52.2591 14.4046 176.3384 48 M 4.7314 8.0102 115.4902 54.4646 32.4796 177.1260 49 G 4.4441 8.0281 105.6157 46.3788 0.0000 173.5756 50 D 4.9770 8.2247 120.8121 54.0720 42.2397 175.8518 51 F 4.2305 8.6744 119.0308 56.1142 40.4409 175.2881 52 V 4.6305 8.0075 123.7855 61.0142 34.0979 174.4261 53 V 4.8570 9.2180 127.7901 61.2617 34.2497 174.0728 54 V 4.8245 8.5803 129.1116 61.6443 33.0470 175.9795 55 V 4.2706 8.2648 128.3636 60.6578 33.7138 176.7090 56 N 4.1449 8.2483 114.2848 54.9808 37.0127 175.1424 57 A 4.4320 8.3560 133.8502 50.5912 18.8889 176.9813 58 D 3.9368 9.5968 113.3119 56.0985 41.0400 175.7945 59 K 3.9693 8.6073 119.0354 58.4069 31.5083 175.7682 60 I 4.0341 9.1790 109.3334 60.2613 37.9829 176.4551 61 R 4.4309 8.9059 124.9894 56.2589 31.8034 176.3498 62 V 4.4840 7.9458 120.2818 60.9090 32.2780 174.7736 63 T 3.9546 8.8221 122.6287 63.2666 69.1895 175.2192 64 G 3.9112 8.3046 110.7882 46.4241 0.0000 173.8776 65 K 4.2847 8.1755 115.3795 55.7702 31.2478 176.4601 66 K 4.2914 8.1804 122.9912 57.1500 33.0781 176.2928 67 L 4.7473 7.6571 120.7101 54.5293 42.7313 177.0328 68 E 4.1666 9.0926 122.9287 56.5398 28.2885 175.6973 69 Q 4.1628 7.5957 116.0594 57.6750 29.7009 176.0888 70 K 4.0953 7.9440 121.1633 56.2378 33.0430 175.7538 71 I 4.9886 8.1095 128.1408 59.7650 39.7687 174.8353 72 Y 4.4111 10.4968 124.1277 57.1471 39.9668 174.6724 73 T 5.2240 8.4836 118.0459 62.0142 71.9010 173.8339 74 R 4.6543 8.9225 123.3048 54.7507 34.5617 173.4669 75 Y 5.1909 8.7541 125.2969 55.5964 40.5336 174.7778 76 S 4.1767 8.5371 122.7894 57.5105 64.1045 175.9338 77 G 3.7131 8.8775 112.6175 47.8616 0.0000 173.0337 78 Y 4.2410 8.4105 118.3572 56.4005 38.7249 173.1865 79 P 4.5356 0.0000 0.0000 63.9426 31.5359 176.7863 80 G 3.9946 9.0297 111.5445 46.7282 0.0000 173.1951 81 G 4.0512 8.1990 106.5133 44.6937 0.0000 173.4155 82 L 4.9374 8.0284 122.6414 53.7578 43.1030 175.6572 83 K 4.5325 9.6550 127.7441 55.0710 33.9889 175.6960 84 K 4.8897 8.7441 124.6198 54.8187 33.8851 175.6416 85 I 4.7375 8.7876 126.6908 58.7432 40.2298 173.7458 86 P 4.9761 0.0000 0.0000 61.7017 32.8740 176.4988 87 L 4.1029 9.1473 122.8814 58.8643 41.7644 179.0549 88 E 3.9507 8.3919 117.5465 59.9612 29.2717 179.4974 89 K 4.0806 7.6623 116.0290 58.8278 32.1043 178.8218 90 M 4.1865 8.3262 120.2352 57.8223 32.1485 178.3054 91 L 4.1862 7.7902 118.2341 57.0654 42.0528 178.4256 92 A 4.2208 8.1396 118.9272 52.4679 18.4855 177.1776 93 T 3.8337 7.4178 108.4013 62.8539 71.6977 172.1506 94 H 4.9266 8.5321 125.3333 57.0428 25.4960 175.0027 95 P 4.5398 0.0000 0.0000 64.8979 31.6553 176.8993 96 E 4.0662 8.1476 116.9102 58.7051 29.5625 178.6550 97 R 4.2279 7.7513 121.3811 58.3569 29.6130 178.1138 98 V 3.3988 7.3952 118.3435 65.7452 31.3573 177.5504 99 L 4.1563 7.7576 118.9632 57.5886 41.8141 177.9834 100 E 4.0892 8.0325 118.1223 60.6654 29.3951 178.0569 101 H 4.0956 9.4906 118.6321 57.5297 29.5309 177.7292 102 A 3.9201 7.9431 124.1497 54.8695 19.1803 179.6390 103 V 3.6491 8.1089 117.0059 66.0055 31.7420 177.7332 104 K 3.5676 8.0075 120.1093 59.6851 31.8587 178.6550 105 G 3.7932 7.8399 102.6395 46.3862 0.0000 173.6097 106 M 4.6932 8.5394 116.5633 54.2791 33.8472 175.4503 107 L 4.6283 7.6790 118.9108 52.0854 43.8744 174.5810 108 P 4.4227 0.0000 0.0000 63.1563 31.7551 177.7026 109 K 4.1128 8.4974 118.9597 58.2461 32.2367 178.2782 110 G 3.9164 7.7689 105.5851 43.5025 0.0000 172.1326 111 P 4.3761 0.0000 0.0000 64.9811 31.0838 178.8956 112 L 4.0317 7.9012 119.3752 58.1229 42.1488 178.9383 113 G 4.0601 8.0403 105.7978 46.3963 0.0000 175.1173 114 R 4.1169 7.3053 119.5158 58.9356 30.7436 177.8856 115 R 4.0208 8.0169 118.5637 59.2918 30.0806 178.4596 116 L 3.8197 8.5214 119.0288 57.8217 41.5696 179.1791 117 F 4.3137 7.6914 118.4859 60.4358 39.2822 176.7004 118 K 3.8198 7.3913 116.8232 59.2695 32.5375 178.8990 119 R 3.8079 7.9904 119.0011 55.8988 29.2915 175.7431 120 L 4.7093 7.3615 119.6568 53.3862 44.8506 175.8391 121 K 4.1594 9.0663 127.5523 54.6588 33.9296 175.1263 122 V 4.4688 7.8022 125.1841 61.3616 32.8786 174.1974 123 Y 4.7530 8.7295 125.8870 55.5544 40.6129 176.5953 124 A 5.0182 8.4422 128.5244 51.0191 19.0822 176.5146 125 G 3.9665 7.7476 116.1476 43.9516 0.0000 174.2590 126 P 4.3059 0.0000 0.0000 62.7106 31.0412 174.7963 127 D 4.5113 9.0153 117.6383 55.6103 37.5454 174.2063 128 H 3.8558 8.2692 120.4265 52.4524 29.0610 173.9828 129 P 3.9062 0.0000 0.0000 64.4595 31.0738 175.5153 130 H 4.6807 7.7962 114.6428 54.1514 29.1414 173.7548 131 Q 4.3992 8.4094 124.4155 53.7573 28.6379 174.5740 132 A 4.3063 7.6170 123.9914 52.9869 21.0626 176.2026 133 Q 4.4190 6.5166 112.5177 57.4417 32.7396 172.1670 134 R 5.4480 8.6688 124.5383 56.1665 29.3081 173.4467 135 P 4.4944 0.0000 0.0000 62.6465 30.4998 175.8640 136 E 4.4426 7.7731 120.2245 55.3974 30.9921 176.2316 137 K 4.7399 8.2391 120.9073 54.8999 36.5922 176.6023 138 L 4.5629 8.2386 121.8244 53.9029 41.4507 177.3833 *139 E 4.1515 7.9031 117.4416 56.0687 30.3597 177.2963 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 M 8.30 4.37 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 2 K 8.01 3.92 0.00 1.68 1.28 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.53 7.81 3 T 7.07 3.96 4.07 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 0.00 0.00 1.14 0.00 0.00 4 Y 5.37 4.29 0.00 3.13 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 5 V 8.02 3.32 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 0.78 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.69 0.00 2.22 2.17 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 7 K 8.27 4.55 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.46 7.81 8 Q 8.32 3.80 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 9 V 8.08 3.95 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 1.08 0.00 0.00 10 E 8.56 4.22 0.00 1.98 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 2.29 2.40 0.00 11 P 0.00 4.37 0.00 2.37 2.49 0.00 3.89 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 2.06 2.09 0.00 12 R 8.66 4.42 0.00 2.02 2.16 0.00 3.22 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 13 W 8.25 5.24 0.00 3.22 3.21 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 14 V 8.90 4.58 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 0.96 0.00 0.00 0.97 0.00 0.00 15 L 8.19 5.27 0.00 1.86 1.50 0.93 0.67 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 16 I 7.55 4.23 1.88 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 1.12 0.95 1.01 0.00 0.00 17 D 8.29 5.33 0.00 2.72 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 18 A 7.96 4.47 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 19 E 8.24 3.74 0.00 2.22 2.59 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 2.30 2.33 0.00 20 G 7.73 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 21 K 7.94 4.81 0.00 1.99 1.60 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 22 T 8.63 5.02 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 1.24 0.00 0.00 23 L 8.53 4.11 0.00 1.70 1.74 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.31 4.44 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 25 R 7.62 3.89 0.00 2.03 2.01 0.00 3.36 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 26 L 8.06 4.14 0.00 1.73 1.69 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.27 3.98 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 28 T 8.09 3.75 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 1.19 0.00 0.00 29 K 8.12 4.02 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 30 I 8.00 3.68 2.02 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 1.45 0.94 0.90 0.00 0.00 31 A 7.68 4.02 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 32 T 8.27 3.74 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 1.11 0.00 0.00 33 L 8.09 3.98 0.00 2.06 1.72 0.69 0.42 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 34 L 7.89 3.97 0.00 2.01 1.67 0.86 0.89 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 35 R 6.94 5.00 0.00 1.56 2.04 0.00 3.16 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 36 G 8.76 4.03 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 0.00 0.00 0.00 37 K 7.53 3.49 0.00 1.74 1.65 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.34 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.09 0.94 7.81 38 H 7.93 4.48 0.00 3.30 3.36 0.00 5.58 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 39 R 7.34 4.05 0.00 2.20 2.13 0.00 3.12 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 40 P 0.00 4.70 0.00 2.22 2.20 0.00 3.78 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 2.02 2.01 0.00 41 D 8.87 4.27 0.00 2.75 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 42 W 7.33 4.33 0.00 3.39 3.25 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 43 T 7.26 3.92 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 1.03 0.00 0.00 44 P 0.00 3.33 0.00 2.00 1.93 0.00 3.10 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 45 N 7.67 4.91 0.00 2.72 2.79 0.00 0.00 5.83 7.68 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 46 V 7.40 4.07 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 0.70 0.00 0.00 0.90 0.00 0.00 47 A 7.98 3.53 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.01 4.73 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 49 G 8.03 4.44 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 50 D 8.22 4.98 0.00 2.58 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 51 F 8.67 4.23 0.00 1.51 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 52 V 8.01 4.63 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 1.00 0.00 0.00 0.88 0.00 0.00 53 V 9.22 4.86 2.30 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 1.34 0.00 0.00 1.33 0.00 0.00 54 V 8.58 4.82 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 0.95 0.00 0.00 0.94 0.00 0.00 55 V 8.26 4.27 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 0.78 0.00 0.00 0.98 0.00 0.00 56 N 8.25 4.14 0.00 2.85 3.49 0.00 0.00 6.87 7.96 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 57 A 8.36 4.43 1.28 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 0.00 0.00 0.00 58 D 9.60 3.94 0.00 2.92 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 59 K 8.61 3.97 0.00 2.08 2.04 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.37 7.81 60 I 9.18 4.03 1.89 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 1.36 1.50 1.00 0.00 0.00 61 R 8.91 4.43 0.00 1.76 1.90 0.00 3.29 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 62 V 7.95 4.48 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 0.69 0.00 0.00 0.96 0.00 0.00 63 T 8.82 3.95 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 64 G 8.30 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 65 K 8.18 4.28 0.00 1.87 1.86 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.45 7.81 66 K 8.18 4.29 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.58 7.81 67 L 7.66 4.75 0.00 1.71 1.74 0.93 1.03 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 68 E 9.09 4.17 0.00 2.13 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 2.54 2.26 0.00 69 Q 7.60 4.16 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 70 K 7.94 4.10 0.00 1.87 1.86 0.00 1.23 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.36 0.99 7.81 71 I 8.11 4.99 1.81 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 1.35 0.87 0.94 0.00 0.00 72 Y 10.50 4.41 0.00 3.07 2.85 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 73 T 8.48 5.22 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 1.26 0.00 0.00 74 R 8.92 4.65 0.00 1.77 1.80 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 75 Y 8.75 5.19 0.00 2.93 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 76 S 8.54 4.18 0.00 3.88 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 77 G 8.88 3.71 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 0.00 78 Y 8.41 4.24 0.00 2.96 2.93 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 79 P 0.00 4.54 0.00 2.11 2.06 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 80 G 9.03 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 81 G 8.20 4.05 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 0.00 82 L 8.03 4.94 0.00 1.75 1.66 1.10 0.66 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 83 K 9.65 4.53 0.00 1.89 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.56 7.81 84 K 8.74 4.89 0.00 1.63 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 85 I 8.79 4.74 1.97 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 1.32 1.04 0.96 0.00 0.00 86 P 0.00 4.98 0.00 2.26 2.20 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 87 L 9.15 4.10 0.00 1.85 1.82 1.00 1.05 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 88 E 8.39 3.95 0.00 2.07 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 2.43 2.55 0.00 89 K 7.66 4.08 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.64 7.81 90 M 8.33 4.19 0.00 1.80 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.55 0.00 91 L 7.79 4.19 0.00 1.69 1.70 0.94 1.09 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 92 A 8.14 4.22 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 93 T 7.42 3.83 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 1.23 0.00 0.00 94 H 8.53 4.93 0.00 3.37 3.34 0.00 5.95 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.54 0.00 2.27 2.41 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.88 0.00 96 E 8.15 4.07 0.00 2.29 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 0.00 2.36 2.30 0.00 97 R 7.75 4.23 0.00 1.93 2.03 0.00 3.06 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 98 V 7.40 3.40 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 0.96 0.00 0.00 0.83 0.00 0.00 99 L 7.76 4.16 0.00 1.73 1.64 0.94 1.01 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 0.00 100 E 8.03 4.09 0.00 2.26 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 2.50 2.44 0.00 101 H 9.49 4.10 0.00 3.36 3.27 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.94 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 104 K 8.01 3.57 0.00 1.52 1.64 0.00 0.98 0.00 0.00 1.25 0.00 0.00 2.63 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.02 0.21 7.81 105 G 7.84 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 0.00 106 M 8.54 4.69 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.43 0.00 107 L 7.68 4.63 0.00 1.77 1.61 1.05 0.80 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 0.00 108 P 0.00 4.42 0.00 2.21 2.03 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 109 K 8.50 4.11 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 110 G 7.77 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 0.00 0.00 0.00 111 P 0.00 4.38 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 112 L 7.90 4.03 0.00 1.75 1.67 0.91 1.17 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 0.00 113 G 8.04 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 0.00 114 R 7.31 4.12 0.00 2.03 2.01 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 115 R 8.02 4.02 0.00 2.09 2.10 0.00 3.14 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 1.66 0.00 116 L 8.52 3.82 0.00 1.70 1.66 0.97 1.06 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 0.00 117 F 7.69 4.31 0.00 2.92 3.11 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 0.00 0.00 0.00 0.00 118 K 7.39 3.82 0.00 1.89 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.83 7.81 119 R 7.99 3.81 0.00 1.34 0.79 0.00 2.21 0.00 0.00 2.63 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 120 L 7.36 4.71 0.00 1.37 1.25 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.07 4.16 0.00 1.90 1.81 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.83 1.47 7.81 122 V 7.80 4.47 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 0.84 0.00 0.00 0.90 0.00 0.00 123 Y 8.73 4.75 0.00 3.04 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 0.00 124 A 8.44 5.02 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 0.00 125 G 7.75 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 0.00 0.00 0.00 126 P 0.00 4.31 0.00 2.21 2.18 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 127 D 9.02 4.51 0.00 2.70 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 0.00 128 H 8.27 3.86 0.00 3.12 3.40 0.00 5.50 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.91 0.00 2.07 2.09 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 130 H 7.80 4.68 0.00 3.03 3.33 0.00 5.70 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 0.00 131 Q 8.41 4.40 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 132 A 7.62 4.31 0.77 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 0.00 0.00 133 Q 6.52 4.42 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.80 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 134 R 8.67 5.45 0.00 2.16 2.20 0.00 3.15 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 135 P 0.00 4.49 0.00 2.11 2.13 0.00 4.21 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 136 E 7.77 4.44 0.00 1.95 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 2.33 2.37 0.00 137 K 8.24 4.74 0.00 1.72 1.63 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.52 7.81 138 L 8.24 4.56 0.00 1.59 1.59 0.93 0.86 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 *139 E 7.90 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.