NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4410 8.3049 120.3485 55.4016 33.4451 174.5501 2 K 4.3020 7.8176 122.3618 56.4280 35.9133 173.5097 3 T 3.4670 7.7955 114.7814 64.5388 72.9596 173.4395 4 Y 4.8460 7.7479 117.9107 57.4645 40.1949 174.0671 5 V 4.4979 7.6029 120.6748 60.0999 34.7264 172.6905 6 P 4.8672 0.0000 0.0000 61.0911 33.1315 175.9413 7 K 4.2915 8.1733 119.9691 55.4214 34.1460 175.9051 8 Q 4.0515 8.4616 119.5658 56.7409 28.4147 176.8423 9 V 3.9035 7.9863 126.5960 62.2639 33.1243 174.8069 10 E 4.3451 8.5064 120.8033 53.8595 30.9405 173.2643 11 P 4.1024 0.0000 0.0000 63.2408 30.5941 176.1066 12 R 4.5144 8.3308 125.0903 54.4226 29.8101 175.9154 13 W 4.8292 9.0528 126.2960 58.0776 30.0841 174.9829 14 V 4.3129 8.4894 115.2122 62.7854 34.4700 171.8390 15 L 5.1637 8.3753 129.6860 53.8069 44.5072 174.5884 16 I 4.6365 8.8703 124.8796 60.4398 42.1647 172.6122 17 D 4.6131 8.0928 120.8160 53.1911 43.6244 176.1282 18 A 4.7747 7.7668 130.3415 50.6774 19.2720 176.3951 19 E 4.0152 8.4446 118.9720 57.8620 30.0262 178.9133 20 G 3.9727 7.8430 107.2127 45.9204 0.0000 173.6609 21 K 4.4953 8.9363 121.1217 55.2955 35.2531 175.3426 22 T 5.0096 8.3822 117.7001 61.2720 69.7343 174.9382 23 L 3.8206 8.5606 127.4726 57.5900 40.8635 176.1533 24 G 4.3488 9.5326 116.4731 45.6633 0.0000 175.6417 25 R 4.1026 7.7186 121.2137 58.0655 30.5377 178.3597 26 L 4.2131 8.1280 119.6956 57.4440 42.3513 178.3588 27 A 3.9438 7.8088 120.2141 56.1596 18.4145 178.4678 28 T 3.7835 8.5366 111.0525 65.4518 67.1553 175.6706 29 K 3.8117 7.8992 120.2318 59.1961 32.2775 179.0311 30 I 3.6317 7.8975 119.4302 64.2600 36.7236 178.1091 31 A 4.0766 8.6892 122.3124 55.7325 17.8462 179.4424 32 T 3.7884 8.5181 114.9811 66.9859 68.3065 176.2316 33 L 3.7366 7.9569 120.5322 59.3194 42.6033 178.2877 34 L 3.1866 8.8348 115.0853 58.2701 42.3951 177.2844 35 R 4.3669 7.5375 119.0842 56.2381 30.7577 179.0256 36 G 3.9557 8.5162 111.1505 45.8855 0.0000 172.8874 37 K 3.3260 7.8557 122.6431 57.2977 33.3774 177.1567 38 H 4.3773 7.9499 112.9865 57.3629 29.6007 175.2440 39 R 3.9065 6.9606 122.4997 54.9822 29.3986 176.0651 40 P 4.6302 0.0000 0.0000 62.8993 31.0093 176.4923 41 D 5.0050 8.5285 114.4253 53.8196 41.1307 175.9417 42 W 5.0444 8.0523 128.8757 58.2885 32.0746 175.7658 43 T 3.9034 6.9294 113.8661 61.9109 69.9517 171.8903 44 P 3.1642 0.0000 0.0000 64.1850 31.3157 177.5487 45 N 4.5822 7.4300 114.4591 52.7745 37.8237 176.3419 46 V 3.5304 7.2029 119.7185 63.2259 32.4031 177.1408 47 A 4.2307 7.9556 124.3696 52.1399 16.0490 177.6105 48 M 4.7960 8.0159 118.7003 53.4319 34.4741 176.6177 49 G 4.8186 8.2835 108.7885 45.7797 0.0000 171.9066 50 D 4.7130 8.8673 119.5668 54.2902 41.6001 176.6174 51 F 4.2867 8.7941 118.5343 60.5507 39.8168 175.8342 52 V 3.5008 6.7834 116.9682 58.7959 33.2784 174.3598 53 V 4.9013 9.5622 127.8238 61.2373 34.7238 173.9271 54 V 5.5883 8.5334 127.8939 60.7656 33.7126 174.9013 55 V 4.7461 8.3399 126.9966 60.5554 34.5145 174.2035 56 N 4.1836 8.8707 115.8965 52.9099 36.7655 172.4625 57 A 4.1932 7.9240 121.3820 53.6453 20.2101 178.5730 58 D 3.9870 9.4296 114.6732 53.8854 40.6767 175.6239 59 K 3.8683 8.7659 116.9641 56.9387 30.5000 175.3923 60 I 4.1008 7.4417 120.1939 60.3417 37.6543 176.4388 61 R 4.2710 8.3472 124.7361 56.4471 31.3160 177.0193 62 V 4.5122 8.2881 113.5899 64.6222 32.4550 173.5983 63 T 3.2331 7.9375 112.3145 62.5453 70.9549 171.3689 64 G 4.0752 8.4474 110.7647 45.2360 0.0000 171.4170 65 K 4.3831 8.4107 118.1651 55.5265 33.0744 177.7870 66 K 4.6938 8.3833 124.4464 55.9576 32.9684 178.0380 67 L 4.2710 7.6280 119.1906 53.3159 40.2938 177.3580 68 E 4.0525 8.2891 115.9347 56.3920 27.2844 175.7651 69 Q 4.0855 7.8580 117.9842 57.1640 29.5502 175.3317 70 K 4.4831 7.9564 119.5662 55.1452 33.2187 175.0773 71 I 4.9423 8.3881 128.1899 60.0907 39.6964 175.8976 72 Y 4.4396 9.9300 124.2093 56.2759 37.5041 176.5633 73 T 3.6675 8.7499 120.3397 67.6771 69.2921 178.0482 74 R 3.0088 7.3141 115.1644 58.4292 30.4777 175.9634 75 Y 4.3601 9.7197 118.4555 56.6127 38.4917 175.4112 76 S 4.4661 8.4631 119.3591 55.6045 62.8726 173.3800 77 G 3.5204 7.8040 115.0320 46.7508 0.0000 171.6436 78 Y 5.3022 7.3294 129.7883 56.7879 38.7530 173.3092 79 P 4.6282 0.0000 0.0000 65.2468 31.9097 176.3498 80 G 4.0567 7.5392 105.3823 45.0055 0.0000 172.9304 81 G 4.0867 7.7479 110.3242 43.6055 0.0000 173.6102 82 L 4.7626 8.1305 126.5228 54.0923 39.4799 175.9477 83 K 3.9112 7.4345 119.2388 56.5103 32.5607 175.0040 84 K 4.9604 8.4551 125.5839 55.1454 33.9964 176.1815 85 I 4.7563 8.2349 122.8294 59.1850 41.1918 173.4598 86 P 5.0798 0.0000 0.0000 61.5694 33.0566 176.5602 87 L 3.7168 9.1415 119.4006 58.5041 41.3989 180.4189 88 E 3.7735 7.5089 117.2995 59.7358 29.7942 179.0888 89 K 3.8047 7.8100 117.1060 59.6526 32.0027 178.6871 90 M 4.2265 7.7539 119.0401 58.1659 31.9275 178.5959 91 L 3.9324 7.6081 117.2487 58.8010 41.9497 178.9637 92 A 4.1704 8.2060 120.6632 53.9379 18.3235 176.9585 93 T 3.4240 8.6072 113.7436 63.1584 67.7602 175.5193 94 H 4.3017 8.4123 120.0870 55.8900 28.2781 172.4676 95 P 5.1504 0.0000 0.0000 61.3619 29.8284 177.5445 96 E 3.7778 9.5311 115.7633 57.8447 30.4331 176.6271 97 R 3.9546 8.1817 117.8629 59.3692 29.9244 179.4173 98 V 3.5049 7.3030 115.6762 65.6782 32.3532 177.2410 99 L 4.1603 8.2891 120.3660 58.2283 42.0070 177.9945 100 E 3.9709 8.2518 117.7669 60.2776 29.4118 178.7957 101 H 4.1328 8.8191 115.6355 59.3617 28.7718 177.4979 102 A 4.0688 7.6815 120.8118 55.2524 18.1933 179.5322 103 V 3.7998 8.2726 117.0107 65.6194 31.7641 177.8109 104 K 4.0708 8.4524 119.1542 59.6548 31.6482 179.9392 105 G 4.0337 7.6163 101.9037 45.2640 0.0000 174.0033 106 M 4.7562 8.5648 120.3631 54.4753 34.8789 175.9508 107 L 4.4928 7.4231 118.7815 52.4124 43.0354 174.8398 108 P 4.3871 0.0000 0.0000 62.8525 31.4535 177.4449 109 K 3.8829 8.5735 118.7696 59.3062 32.9465 177.9111 110 G 3.8908 7.7685 106.6257 43.3735 0.0000 172.0012 111 P 4.3584 0.0000 0.0000 64.4353 30.8698 178.3787 112 L 4.1211 7.8041 120.0303 57.7974 42.3727 178.5067 113 G 4.3296 8.0187 106.4959 47.0380 0.0000 175.3199 114 R 3.8970 8.0391 120.3964 59.4561 30.4535 178.2222 115 R 4.0314 7.8843 118.5611 59.2872 29.9711 178.4874 116 L 3.9380 9.4566 119.0095 57.6404 40.2023 179.1842 117 F 4.0334 8.4539 120.3541 60.7152 39.0636 177.0424 118 K 4.1249 7.7711 117.0608 58.4926 31.8011 179.2316 119 R 3.2651 7.5535 118.6368 57.8235 30.5040 176.4577 120 L 3.7238 6.0725 116.2684 55.5280 42.8135 176.7652 121 K 4.1617 8.7824 126.1724 54.8277 34.0922 174.0991 122 V 4.7149 7.7502 125.6424 61.3402 33.2191 174.0932 123 Y 4.8194 8.8853 123.1571 56.0655 42.5830 174.8777 124 A 4.6571 8.5681 124.4941 50.3950 16.2266 177.9783 125 G 4.0672 7.9835 122.8434 43.4782 0.0000 170.1497 126 P 4.1546 0.0000 0.0000 63.2447 31.4869 176.2681 127 D 4.7425 8.9310 117.6928 55.5168 39.4797 176.1474 128 H 4.2821 8.3426 121.7679 52.9286 28.1363 172.8567 129 P 4.4776 0.0000 0.0000 62.9841 29.3494 175.3311 130 H 4.6934 7.4195 126.2764 56.6809 32.4103 173.6295 131 Q 4.3936 7.6882 115.5577 54.8296 30.9819 175.1663 132 A 4.5361 7.7573 119.8567 51.8984 20.9571 177.0029 133 Q 4.4004 7.0860 115.3682 54.8112 29.7203 173.0410 134 R 4.2525 7.7593 115.3403 54.7844 30.1942 176.3082 135 P 4.6646 0.0000 0.0000 67.1006 31.6341 176.4719 136 E 4.3374 6.8019 117.1993 58.6613 29.1560 175.5101 137 K 4.5107 8.4040 127.2812 55.1336 34.5285 176.1934 138 L 4.5193 8.1415 124.9572 54.1240 41.1985 177.2649 *139 E 4.1515 7.8372 117.7755 56.1500 30.3597 177.5196 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 4.44 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 7.82 4.30 0.00 1.69 1.46 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.58 7.81 3 T 7.80 3.47 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 4 Y 7.75 4.85 0.00 2.93 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 5 V 7.60 4.50 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 0.86 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.87 0.00 2.24 2.06 0.00 3.83 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 1.92 2.00 0.00 7 K 8.17 4.29 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 8 Q 8.46 4.05 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 V 7.99 3.90 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 0.80 0.00 0.00 1.04 0.00 0.00 10 E 8.51 4.35 0.00 1.91 1.83 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 2.21 2.38 0.00 11 P 0.00 4.10 0.00 1.86 2.22 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 12 R 8.33 4.51 0.00 1.93 2.01 0.00 3.32 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 13 W 9.05 4.83 0.00 3.13 3.39 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 14 V 8.49 4.31 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 0.90 0.00 0.00 1.04 0.00 0.00 15 L 8.38 5.16 0.00 1.84 1.58 0.90 0.92 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 16 I 8.87 4.64 1.89 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 0.44 1.01 0.00 0.00 17 D 8.09 4.61 0.00 2.77 2.50 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 18 A 7.77 4.77 1.24 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 19 E 8.44 4.02 0.00 2.25 2.48 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 2.38 2.79 0.00 20 G 7.84 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 21 K 8.94 4.50 0.00 1.53 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 22 T 8.38 5.01 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 23 L 8.56 3.82 0.00 1.68 1.71 1.05 0.60 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 24 G 9.53 4.35 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 0.00 25 R 7.72 4.10 0.00 1.99 2.03 0.00 3.36 0.00 0.00 3.15 7.61 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 L 8.13 4.21 0.00 1.78 1.74 0.92 0.96 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 27 A 7.81 3.94 1.38 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 0.00 0.00 28 T 8.54 3.78 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 1.32 0.00 0.00 29 K 7.90 3.81 0.00 1.97 1.87 0.00 1.99 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.53 7.81 30 I 7.90 3.63 2.01 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 1.44 1.07 0.87 0.00 0.00 31 A 8.69 4.08 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 32 T 8.52 3.79 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 1.14 0.00 0.00 33 L 7.96 3.74 0.00 1.79 1.85 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.83 3.19 0.00 1.85 1.50 0.83 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.54 4.37 0.00 2.20 2.09 0.00 3.11 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 36 G 8.52 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 37 K 7.86 3.33 0.00 1.22 1.98 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.22 7.81 38 H 7.95 4.38 0.00 3.27 3.33 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 6.96 3.91 0.00 1.61 1.69 0.00 3.40 0.00 0.00 3.57 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 40 P 0.00 4.63 0.00 2.23 2.13 0.00 3.74 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 2.00 2.00 0.00 41 D 8.53 5.00 0.00 2.65 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 42 W 8.05 5.04 0.00 3.14 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 43 T 6.93 3.90 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 1.09 0.00 0.00 44 P 0.00 3.16 0.00 1.91 1.76 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 45 N 7.43 4.58 0.00 2.73 2.83 0.00 0.00 6.09 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 7.20 3.53 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 0.68 0.00 0.00 0.92 0.00 0.00 47 A 7.96 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.80 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 49 G 8.28 4.82 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 0.00 0.00 0.00 50 D 8.87 4.71 0.00 2.59 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 51 F 8.79 4.29 0.00 1.88 1.96 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 52 V 6.78 3.50 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 0.92 0.00 0.00 0.92 0.00 0.00 53 V 9.56 4.90 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 1.26 0.00 0.00 1.48 0.00 0.00 54 V 8.53 5.59 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 1.12 0.00 0.00 0.93 0.00 0.00 55 V 8.34 4.75 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 0.99 0.00 0.00 56 N 8.87 4.18 0.00 2.82 3.19 0.00 0.00 7.29 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 7.92 4.19 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 58 D 9.43 3.99 0.00 2.92 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 59 K 8.77 3.87 0.00 1.94 2.10 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 I 7.44 4.10 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 1.29 1.01 1.05 0.00 0.00 61 R 8.35 4.27 0.00 1.83 1.88 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 62 V 8.29 4.51 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 0.67 0.00 0.00 0.97 0.00 0.00 63 T 7.94 3.23 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 64 G 8.45 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 65 K 8.41 4.38 0.00 1.76 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 66 K 8.38 4.69 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.35 1.40 7.81 67 L 7.63 4.27 0.00 1.64 1.63 0.92 1.09 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 68 E 8.29 4.05 0.00 2.14 2.22 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 2.18 2.44 0.00 69 Q 7.86 4.09 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 70 K 7.96 4.48 0.00 1.96 1.81 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.70 2.03 7.81 71 I 8.39 4.94 1.92 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 1.40 0.79 0.99 0.00 0.00 72 Y 9.93 4.44 0.00 3.11 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 73 T 8.75 3.67 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 1.22 0.00 0.00 74 R 7.31 3.01 0.00 1.58 1.82 0.00 3.12 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 75 Y 9.72 4.36 0.00 3.11 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 76 S 8.46 4.47 0.00 3.78 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 77 G 7.80 3.52 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 78 Y 7.33 5.30 0.00 2.93 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 79 P 0.00 4.63 0.00 2.31 2.59 0.00 3.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 80 G 7.54 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 81 G 7.75 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 82 L 8.13 4.76 0.00 1.75 1.72 0.93 0.47 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 83 K 7.43 3.91 0.00 1.72 1.84 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.60 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 K 8.46 4.96 0.00 1.71 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.47 7.81 85 I 8.23 4.76 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.01 0.86 0.00 0.00 86 P 0.00 5.08 0.00 2.12 2.19 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 87 L 9.14 3.72 0.00 1.85 1.70 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.51 3.77 0.00 2.00 1.94 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 2.39 2.45 0.00 89 K 7.81 3.80 0.00 1.99 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 90 M 7.75 4.23 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 91 L 7.61 3.93 0.00 1.82 1.72 0.91 0.86 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 92 A 8.21 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 3.42 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 1.30 0.00 0.00 94 H 8.41 4.30 0.00 3.64 3.72 0.00 5.60 0.00 0.00 0.00 0.00 7.03 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 5.15 0.00 2.20 1.60 0.00 3.56 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 96 E 9.53 3.78 0.00 2.21 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 2.28 2.26 0.00 97 R 8.18 3.95 0.00 1.93 2.12 0.00 3.09 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 98 V 7.30 3.50 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 0.85 0.00 0.00 0.89 0.00 0.00 99 L 8.29 4.16 0.00 1.74 1.75 0.92 0.98 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 0.00 100 E 8.25 3.97 0.00 2.15 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 2.32 2.55 0.00 101 H 8.82 4.13 0.00 3.31 3.40 0.00 5.64 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 7.68 4.07 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 0.00 103 V 8.27 3.80 2.32 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 1.00 0.00 0.00 1.07 0.00 0.00 104 K 8.45 4.07 0.00 1.75 1.67 0.00 1.17 0.00 0.00 1.43 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.25 7.81 105 G 7.62 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 0.00 106 M 8.56 4.76 0.00 1.91 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 107 L 7.42 4.49 0.00 1.77 1.64 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.39 0.00 2.23 2.24 0.00 3.74 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 2.12 2.05 0.00 109 K 8.57 3.88 0.00 1.86 1.97 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.42 7.81 110 G 7.77 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.36 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 112 L 7.80 4.12 0.00 1.74 1.62 0.90 1.15 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 0.00 113 G 8.02 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 0.00 0.00 0.00 0.00 114 R 8.04 3.90 0.00 1.99 2.09 0.00 3.26 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 115 R 7.88 4.03 0.00 2.15 2.04 0.00 3.14 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 116 L 9.46 3.94 0.00 1.91 1.69 0.99 0.91 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 0.00 117 F 8.45 4.03 0.00 3.22 3.19 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 0.00 118 K 7.77 4.12 0.00 1.95 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.77 7.81 119 R 7.55 3.27 0.00 1.58 1.35 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 120 L 6.07 3.72 0.00 1.24 1.16 0.72 0.44 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 0.00 121 K 8.78 4.16 0.00 1.87 1.68 0.00 1.13 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.08 7.81 122 V 7.75 4.71 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 0.80 0.00 0.00 0.85 0.00 0.00 123 Y 8.89 4.82 0.00 2.98 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 0.00 124 A 8.57 4.66 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 0.00 125 G 7.98 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 0.00 0.00 0.00 0.00 126 P 0.00 4.15 0.00 2.20 2.12 0.00 3.75 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 2.00 2.02 0.00 127 D 8.93 4.74 0.00 2.69 3.01 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 0.00 128 H 8.34 4.28 0.00 3.17 3.36 0.00 5.47 0.00 0.00 0.00 0.00 6.80 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 4.48 0.00 2.10 2.03 0.00 3.37 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 1.74 1.82 0.00 130 H 7.42 4.69 0.00 3.19 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.69 4.39 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 1.92 2.44 0.00 132 A 7.76 4.54 1.02 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 0.00 0.00 133 Q 7.09 4.40 0.00 1.75 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 134 R 7.76 4.25 0.00 1.96 2.07 0.00 3.00 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 135 P 0.00 4.66 0.00 2.24 2.19 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 136 E 6.80 4.34 0.00 1.98 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 2.29 2.32 0.00 137 K 8.40 4.51 0.00 1.77 1.68 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.45 7.81 138 L 8.14 4.52 0.00 1.65 1.59 0.92 0.86 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 *139 E 7.84 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.