NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3714 8.1814 116.7823 58.6551 65.8837 175.6855 3 G 3.0468 7.5533 107.4366 46.7008 0.0000 173.8383 4 L 4.1478 8.5210 122.6478 57.3556 41.7316 177.3896 5 D 4.5486 7.6172 117.1014 55.9646 41.1532 178.2396 6 K 3.9712 6.7816 118.2036 59.5261 32.7043 177.9023 7 Y 4.3629 7.4219 117.2131 59.7956 37.6403 176.5808 8 L 4.9626 6.9588 116.3732 52.2702 44.1109 175.0423 9 P 4.4372 0.0000 0.0000 63.4285 31.3149 177.1364 10 G 3.8747 7.5743 106.0785 45.7347 0.0000 174.8384 11 I 3.7762 7.4522 118.1119 61.6409 38.2827 176.0223 12 E 4.5535 8.8803 124.6210 56.7411 31.7922 175.3850 13 K 5.2117 8.0413 115.9360 54.4707 36.1717 175.4555 14 L 4.9720 9.2490 122.1828 52.9515 45.3956 177.4258 15 R 3.9184 9.4252 118.4677 59.2479 30.2793 181.0192 16 R 3.2064 8.6231 116.7509 56.4417 32.7754 175.9749 17 G 4.2312 9.2774 108.2302 45.8082 0.0000 174.0128 18 D 4.6133 9.3309 122.2180 57.3735 43.7412 176.0399 19 G 4.3398 7.8710 105.0476 46.0210 0.0000 175.8991 20 E 5.2031 9.3780 116.8906 54.8886 34.4182 174.7242 21 V 4.5739 8.8347 120.5293 61.1235 35.0484 174.7129 22 E 4.4799 8.8786 125.9927 56.4655 30.2698 178.3853 23 V 3.7791 9.1091 121.4081 65.6180 31.2927 178.4700 24 K 4.0650 8.2218 117.7698 60.1416 32.0872 178.3000 25 S 4.2779 7.7213 111.8439 59.6638 63.1774 173.8232 26 L 4.7656 8.3303 120.8451 54.3502 41.5671 178.5110 27 A 4.4099 7.8543 121.9004 51.1163 19.0567 177.4221 28 G 4.0054 9.8243 114.2534 45.3091 0.0000 169.3515 29 K 4.6192 7.4160 116.7086 55.6771 37.5536 176.4114 30 L 4.5268 8.6888 122.2374 54.1076 42.6132 174.8384 31 V 5.2481 8.4510 126.9117 60.9203 33.6073 174.7123 32 F 5.0299 8.5261 124.1758 55.7796 43.2566 174.6337 33 F 5.4717 9.5764 119.3331 55.6137 42.7659 173.2083 34 Y 4.5466 8.6768 126.3096 56.3525 40.4816 173.9398 35 F 5.7632 7.7499 126.2624 56.0492 40.9685 175.2542 36 S 4.8186 8.0120 116.4223 58.1242 65.9006 173.9191 37 A 5.4438 7.4393 121.3696 49.1238 22.0399 177.3391 38 S 4.2280 8.7065 114.0011 60.5633 62.5987 175.1610 39 W 4.7769 7.3662 115.0159 56.0429 28.4833 175.1617 40 C 4.2453 7.0332 114.4543 55.2359 41.5505 172.3165 41 P 4.4374 0.0000 0.0000 65.5896 30.1929 176.1698 42 P 4.3770 0.0000 0.0000 62.4229 31.8472 177.9196 43 C 4.4656 8.2906 114.7039 57.2377 38.2088 174.7977 44 R 4.4997 7.3759 115.0782 55.5518 29.6892 172.9385 45 G 3.7389 8.1411 119.6575 46.2673 0.0000 172.2610 46 F 4.3789 7.5953 131.1588 56.6800 38.2427 173.6262 47 T 4.2871 7.6609 127.7839 62.4950 74.8485 173.5974 48 P 4.6120 0.0000 0.0000 64.4281 31.5715 178.1036 49 Q 4.0081 7.9337 118.7858 58.7823 28.7444 177.3687 50 L 3.9665 7.5463 120.4429 58.4723 41.9470 179.2148 51 I 3.8585 7.9724 118.9248 64.3720 37.2365 177.8727 52 E 4.0824 8.0115 119.6646 59.3360 29.0419 178.6585 53 F 4.4644 8.7949 121.1097 61.6010 39.4103 176.7809 54 Y 3.7986 8.5385 116.6715 61.1394 37.5942 177.6170 55 D 4.3352 9.0227 118.6237 57.1038 41.3477 177.9289 56 K 4.3757 8.0370 117.7207 58.0178 32.4634 177.4202 57 F 4.6097 7.6449 114.5418 56.6638 41.1959 175.9332 58 H 3.6002 9.1730 123.0607 58.7169 29.9942 177.2446 59 E 3.6128 7.9788 116.5557 59.1700 29.5073 177.9830 60 S 4.0483 7.2894 112.6580 59.3425 62.8514 174.9794 61 K 3.4105 7.9909 119.4480 56.6479 32.4341 176.4056 62 N 4.0802 7.6091 116.4581 54.6355 37.3049 171.3805 63 F 5.2757 7.4090 112.2288 55.1887 42.2405 175.5946 64 E 5.0158 9.0125 118.0601 54.7636 33.2978 173.6784 65 V 4.4905 8.4708 125.4290 61.0366 34.4138 174.1829 66 V 5.3739 8.2589 127.4279 60.6420 34.4663 173.7966 67 F 5.1586 8.9717 128.3341 56.8368 41.7747 173.7957 68 C 4.4594 8.5242 124.4434 57.8792 29.6095 173.6414 69 T 4.0438 7.8305 118.6596 61.5916 68.1624 173.3419 70 W 5.0132 8.6081 123.0255 56.3941 30.2708 174.7939 71 D 5.6123 8.0950 119.2625 52.9906 43.1408 176.9573 72 E 4.4461 9.0574 116.5649 56.7403 30.6795 175.7747 73 E 4.8271 7.9499 118.8855 53.8849 32.4678 176.2684 74 E 4.3274 8.4501 122.9270 59.3414 29.6801 179.1298 75 D 4.5523 8.3801 118.9825 57.1904 40.2367 179.0042 76 G 3.8988 8.1017 105.7593 47.9398 0.0000 176.0455 77 F 4.5926 8.6388 117.4744 59.0093 37.5672 177.0862 78 A 3.7664 8.8596 122.0477 55.1038 18.0716 179.7730 79 G 3.4893 7.3666 100.4407 46.8637 0.0000 174.9171 80 Y 4.0197 7.2128 120.9982 60.3737 39.0038 176.8862 81 F 4.2422 8.6730 114.5180 58.3377 38.0621 177.0234 82 A 3.5078 6.4254 120.1259 54.8063 17.9573 176.8993 83 K 4.0302 6.9396 112.9740 56.7848 34.5254 175.8802 84 M 2.6575 6.9022 115.2680 54.4519 31.1469 174.9417 85 P 4.2204 0.0000 0.0000 64.3466 32.2432 176.3670 86 W 4.6265 7.5664 114.9904 56.4714 28.9066 175.6875 87 L 4.7009 8.4978 120.0954 54.4499 42.5168 176.0174 88 A 5.5913 8.6594 124.4247 48.7441 22.5758 175.2868 89 V 4.1496 8.7720 122.2220 62.1794 32.2743 174.3360 90 P 4.5708 0.0000 0.0000 62.3102 32.1489 176.8105 91 F 3.6702 9.0603 121.8473 61.2901 39.3863 177.0994 92 A 4.0225 8.2876 122.2729 54.7533 18.3141 177.9574 93 Q 4.6119 8.2780 114.3981 55.5308 29.6666 178.0272 94 S 3.8857 7.7637 116.9235 61.3306 62.6962 175.4852 95 E 3.7600 7.9806 121.7672 59.2516 28.5641 178.8361 96 A 3.9180 7.9297 120.7273 55.1999 18.4546 179.7492 97 V 3.5764 7.3743 116.3474 66.1203 31.1751 178.3916 98 Q 3.7383 7.4875 116.5572 58.7191 28.9798 178.0883 99 K 4.1155 7.8368 118.9967 58.9153 32.2337 178.8638 100 L 3.7588 9.1145 121.2987 58.3448 41.8541 178.9883 101 S 4.4388 7.9687 112.2537 61.5785 62.1776 176.0476 102 K 3.9033 7.7884 120.9343 59.9295 31.8557 178.0320 103 H 4.0799 7.7164 115.6236 57.6080 28.6675 176.6177 104 F 4.8145 7.5316 116.3159 56.0488 39.3642 174.8183 105 N 4.0333 8.0624 116.0026 53.8724 37.7705 173.9065 106 V 3.4936 8.0051 115.8698 62.6839 31.2859 174.9653 107 E 4.0998 8.7709 128.4051 58.5315 29.7264 177.0594 108 S 4.4068 7.1531 109.9949 57.4918 66.5536 175.2623 109 I 3.6050 7.3607 116.9059 59.4970 38.3932 173.7285 110 P 4.4858 0.0000 0.0000 63.1131 32.7828 174.3741 111 T 4.0743 7.0939 113.8203 61.1859 71.9184 171.7252 112 L 4.3445 7.6757 123.8748 53.5129 45.4847 174.4619 113 I 4.6700 8.5336 126.2823 59.2334 41.3912 174.4798 114 G 3.0965 9.1611 112.7596 44.0640 0.0000 172.4563 115 V 4.9118 8.9488 118.0435 59.6508 36.8731 174.1262 116 D 5.1176 8.1200 122.0302 52.7776 41.8235 177.3546 117 A 3.8639 8.7029 126.8745 55.5547 18.4949 178.5162 118 D 4.3828 8.3494 113.4305 57.6109 41.8098 177.4273 119 S 4.1608 8.0999 113.8801 60.7807 62.9497 175.2409 120 G 4.3874 8.8538 115.3683 45.7230 0.0000 173.7431 121 D 4.6896 7.7765 119.4922 53.3215 41.6088 176.0204 122 V 3.9642 8.2187 121.1099 63.5518 31.7922 175.7121 123 V 4.2388 8.3384 125.8941 64.2134 34.1712 175.1875 124 T 4.8293 8.0670 113.8067 61.5470 70.5305 174.2328 125 T 3.8111 8.8505 118.2889 62.1411 70.9665 174.7490 126 R 4.2703 7.7294 119.9402 55.8934 29.2284 177.1488 127 A 5.1047 8.2968 120.5821 53.6017 18.9157 179.2097 128 R 4.0060 7.7496 114.4264 58.9363 30.1537 178.1181 129 A 4.1876 7.7640 121.1138 54.3331 18.9507 179.4882 130 T 3.9995 7.1116 109.6172 64.3740 68.4702 176.3858 131 L 3.3614 6.6041 121.8851 57.1625 41.9699 178.0197 132 V 3.5986 7.3021 116.6623 64.3218 31.9838 176.3937 133 K 4.4101 8.1439 117.2293 56.0785 31.6789 176.8201 134 D 4.6549 7.7154 120.9404 52.0326 40.8740 173.7116 135 P 4.7124 0.0000 0.0000 62.5221 32.1392 177.4664 136 E 4.4092 8.1266 119.9634 55.8597 30.3321 177.0995 137 G 4.4445 7.9740 106.4046 46.3606 0.0000 174.9457 138 E 4.2537 8.0173 116.5360 58.1417 29.4164 177.3630 139 Q 4.6664 8.1089 118.4900 56.8636 30.6969 177.8647 140 F 3.6538 8.8921 115.4778 59.2616 38.3164 175.1631 141 P 3.7699 0.0000 0.0000 64.3597 31.2353 178.1380 142 W 4.1814 8.3596 119.5072 58.1277 25.1938 175.5499 143 K 4.8626 7.4333 117.9891 55.9063 32.6454 176.4353 144 D 4.2763 8.6228 118.0630 55.1837 41.6222 177.0500 145 A 4.5319 8.2862 124.2762 50.0978 18.6077 174.8770 146 P 4.7162 0.0000 0.0000 63.9540 31.9610 177.1870 147 L 4.3319 7.2614 118.0981 55.1448 40.9531 176.9337 148 E 3.5912 8.0957 116.1027 58.3738 27.9200 175.7274 *149 H 4.5315 8.0748 120.5302 54.7758 28.7348 177.4819 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 2 S 8.18 4.37 0.00 3.86 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 3 G 7.55 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 0.00 0.00 0.00 4 L 8.52 4.15 0.00 1.76 1.85 1.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.62 4.55 0.00 2.51 2.64 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 6 K 6.78 3.97 0.00 1.59 1.52 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 7 Y 7.42 4.36 0.00 2.79 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 0.00 0.00 0.00 0.00 8 L 6.96 4.96 0.00 1.63 1.55 0.94 0.95 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 9 P 0.00 4.44 0.00 2.18 2.04 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 10 G 7.57 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.45 3.78 1.92 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 1.32 0.70 0.97 0.00 0.00 12 E 8.88 4.55 0.00 2.09 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 2.30 2.39 0.00 13 K 8.04 5.21 0.00 1.66 1.69 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 14 L 9.25 4.97 0.00 1.70 1.65 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 R 9.43 3.92 0.00 1.79 1.83 0.00 3.36 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 16 R 8.62 3.21 0.00 1.89 1.94 0.00 3.33 0.00 0.00 3.28 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 17 G 9.28 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 0.00 0.00 0.00 0.00 18 D 9.33 4.61 0.00 2.63 2.76 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 19 G 7.87 4.34 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 0.00 20 E 9.38 5.20 0.00 1.82 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 2.33 2.30 0.00 21 V 8.83 4.57 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 0.96 0.00 0.00 0.97 0.00 0.00 22 E 8.88 4.48 0.00 2.15 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 23 V 9.11 3.78 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 1.07 0.00 0.00 24 K 8.22 4.06 0.00 1.97 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.55 7.81 25 S 7.72 4.28 0.00 3.97 4.11 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 26 L 8.33 4.77 0.00 1.66 1.67 1.01 0.80 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 27 A 7.85 4.41 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 28 G 9.82 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 0.00 0.00 0.00 29 K 7.42 4.62 0.00 1.89 1.96 0.00 1.60 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.53 7.81 30 L 8.69 4.53 0.00 1.99 1.93 0.88 1.12 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 31 V 8.45 5.25 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 0.76 0.00 0.00 1.02 0.00 0.00 32 F 8.53 5.03 0.00 2.83 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 33 F 9.58 5.47 0.00 2.73 3.18 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 34 Y 8.68 4.55 0.00 2.86 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 35 F 7.75 5.76 0.00 2.47 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 0.00 0.00 0.00 36 S 8.01 4.82 0.00 4.04 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 0.00 37 A 7.44 5.44 0.24 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 38 S 8.71 4.23 0.00 4.25 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 39 W 7.37 4.78 0.00 3.62 3.27 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 40 C 7.03 4.25 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.44 0.00 2.12 2.24 0.00 3.71 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 2.11 2.25 0.00 42 P 0.00 4.38 0.00 2.27 2.06 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 43 C 8.29 4.47 0.00 3.14 3.23 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 0.00 44 R 7.38 4.50 0.00 1.94 1.94 0.00 3.13 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 45 G 8.14 3.74 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 0.00 0.00 0.00 46 F 7.60 4.38 0.00 3.10 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 47 T 7.66 4.29 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 1.27 0.00 0.00 48 P 0.00 4.61 0.00 2.27 2.28 0.00 3.95 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 2.07 2.05 0.00 49 Q 7.93 4.01 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 50 L 7.55 3.97 0.00 1.76 1.65 0.23 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.97 3.86 1.98 0.00 0.00 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 1.95 1.05 0.98 0.00 0.00 52 E 8.01 4.08 0.00 2.25 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 0.00 2.37 2.51 0.00 53 F 8.79 4.46 0.00 3.12 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 54 Y 8.54 3.80 0.00 3.16 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 55 D 9.02 4.34 0.00 2.78 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 56 K 8.04 4.38 0.00 2.07 2.03 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.92 7.81 57 F 7.64 4.61 0.00 2.70 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 58 H 9.17 3.60 0.00 3.49 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.98 3.61 0.00 1.91 1.90 0.00 0.00 0.00 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 1.99 0.00 60 S 7.29 4.05 0.00 3.41 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 61 K 7.99 3.41 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.20 7.81 62 N 7.61 4.08 0.00 2.53 2.67 0.00 0.00 6.99 6.98 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 63 F 7.41 5.28 0.00 3.11 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.01 5.02 0.00 2.35 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 2.30 2.40 0.00 65 V 8.47 4.49 1.56 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 0.36 0.00 0.00 -0.54 0.00 0.00 66 V 8.26 5.37 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 1.34 0.00 0.00 0.71 0.00 0.00 67 F 8.97 5.16 0.00 3.25 3.44 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 68 C 8.52 4.46 0.00 3.13 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 0.00 0.00 0.00 0.00 69 T 7.83 4.04 4.46 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 0.00 0.00 0.00 1.02 0.00 0.00 70 W 8.61 5.01 0.00 3.10 3.04 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 71 D 8.09 5.61 0.00 3.18 3.12 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 0.00 0.00 0.00 0.00 72 E 9.06 4.45 0.00 2.07 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 0.00 2.09 2.39 0.00 73 E 7.95 4.83 0.00 2.09 1.90 0.00 0.00 0.00 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 2.36 0.00 74 E 8.45 4.33 0.00 1.97 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 0.00 1.47 1.51 0.00 75 D 8.38 4.55 0.00 2.75 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 76 G 8.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 4.59 0.00 3.63 3.55 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 0.00 0.00 0.00 0.00 78 A 8.86 3.77 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 79 G 7.37 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 4.02 0.00 3.29 3.17 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 0.00 0.00 0.00 0.00 81 F 8.67 4.24 0.00 3.22 3.29 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 82 A 6.43 3.51 0.95 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 0.00 0.00 83 K 6.94 4.03 0.00 1.41 1.47 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.23 7.81 84 M 6.90 2.66 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 85 P 0.00 4.22 0.00 2.15 2.09 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 86 W 7.57 4.63 0.00 3.59 3.36 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 87 L 8.50 4.70 0.00 1.88 1.77 1.02 0.99 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 88 A 8.66 5.59 1.84 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 89 V 8.77 4.15 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 0.92 0.00 0.00 1.11 0.00 0.00 90 P 0.00 4.57 0.00 2.32 2.23 0.00 3.84 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 2.10 2.00 0.00 91 F 9.06 3.67 0.00 2.99 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 92 A 8.29 4.02 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 Q 8.28 4.61 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 94 S 7.76 3.89 0.00 3.45 3.42 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 0.00 95 E 7.98 3.76 0.00 1.88 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 2.22 2.22 0.00 96 A 7.93 3.92 1.31 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 0.00 0.00 97 V 7.37 3.58 1.93 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 0.43 0.00 0.00 0.70 0.00 0.00 98 Q 7.49 3.74 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.68 0.00 0.00 0.00 0.00 0.00 2.02 2.33 0.00 99 K 7.84 4.12 0.00 1.76 1.82 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.54 7.81 100 L 9.11 3.76 0.00 1.89 1.88 0.34 0.55 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 0.00 101 S 7.97 4.44 0.00 4.77 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 0.00 102 K 7.79 3.90 0.00 1.88 1.72 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 103 H 7.72 4.08 0.00 2.66 2.37 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.53 4.81 0.00 2.82 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 0.00 105 N 8.06 4.03 0.00 2.80 2.84 0.00 0.00 7.03 7.29 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 0.00 106 V 8.01 3.49 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 0.55 0.00 0.00 0.83 0.00 0.00 107 E 8.77 4.10 0.00 1.93 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 2.27 0.00 108 S 7.15 4.41 0.00 3.76 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 0.00 109 I 7.36 3.60 1.39 0.00 0.00 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 1.20 -0.36 -0.56 0.00 0.00 110 P 0.00 4.49 0.00 1.95 2.12 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 111 T 7.09 4.07 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 0.67 0.00 0.00 112 L 7.68 4.34 0.00 1.51 1.43 1.06 1.04 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 0.00 113 I 8.53 4.67 0.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.19 -0.01 0.00 0.00 114 G 9.16 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 0.00 0.00 0.00 115 V 8.95 4.91 2.28 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 1.17 0.00 0.00 1.38 0.00 0.00 116 D 8.12 5.12 0.00 2.62 2.62 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 0.00 117 A 8.70 3.86 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 0.00 118 D 8.35 4.38 0.00 2.66 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 0.00 119 S 8.10 4.16 0.00 3.92 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 0.00 120 G 8.85 4.39 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 0.00 121 D 7.78 4.69 0.00 2.85 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 0.00 122 V 8.22 3.96 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 0.84 0.00 0.00 1.06 0.00 0.00 123 V 8.34 4.24 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 0.92 0.00 0.00 1.03 0.00 0.00 124 T 8.07 4.83 4.62 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 1.17 0.00 0.00 125 T 8.85 3.81 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 1.23 0.00 0.00 126 R 7.73 4.27 0.00 1.97 2.15 0.00 2.99 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 127 A 8.30 5.10 1.93 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 0.00 128 R 7.75 4.01 0.00 1.96 1.91 0.00 2.96 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 1.46 1.63 0.00 129 A 7.76 4.19 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 0.00 130 T 7.11 4.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 131 L 6.60 3.36 0.00 1.75 1.77 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.30 3.60 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 0.47 0.00 0.00 0.71 0.00 0.00 133 K 8.14 4.41 0.00 1.59 1.65 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.36 7.81 134 D 7.72 4.65 0.00 2.36 2.46 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 0.00 0.00 0.00 0.00 135 P 0.00 4.71 0.00 2.13 2.05 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 136 E 8.13 4.41 0.00 2.09 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 0.00 2.30 2.26 0.00 137 G 7.97 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 0.00 138 E 8.02 4.25 0.00 2.27 2.21 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 2.56 2.43 0.00 139 Q 8.11 4.67 0.00 2.49 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 140 F 8.89 3.65 0.00 3.04 3.24 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 0.00 141 P 0.00 3.77 0.00 1.93 1.79 0.00 2.68 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 1.57 1.28 0.00 142 W 8.36 4.18 0.00 3.66 3.36 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 0.00 143 K 7.43 4.86 0.00 1.86 1.86 0.00 1.21 0.00 0.00 2.28 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 144 D 8.62 4.28 0.00 2.67 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 0.00 145 A 8.29 4.53 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 0.00 146 P 0.00 4.72 0.00 2.20 2.16 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 147 L 7.26 4.33 0.00 1.71 1.69 0.92 0.85 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 0.00 148 E 8.10 3.59 0.00 2.09 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 0.00 2.21 2.34 0.00 *149 H 8.07 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.