NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3346 8.0433 122.7547 55.1401 43.6157 174.9039 4 I 4.7498 8.3378 127.7003 58.6909 39.0838 170.0357 5 V 4.3288 9.8117 129.0316 61.2749 34.3125 173.7372 6 N 5.0104 8.9850 125.7694 52.1473 40.3891 174.1677 7 V 4.7156 9.1409 125.3454 61.4925 33.4705 174.4075 8 I 4.8973 8.9884 130.4076 59.7042 39.7403 174.4728 9 N 5.3380 9.5979 125.6586 51.7987 40.8831 175.6516 10 G 4.3212 9.1854 114.0050 43.5510 0.0000 170.6358 11 P 4.4310 0.0000 0.0000 64.6094 31.9203 176.6780 12 N 4.4915 9.4234 117.7447 53.7568 37.2744 176.2172 13 L 4.2167 7.7087 118.3800 56.8569 41.9626 178.8418 14 G 3.7167 8.0354 105.8356 47.0658 0.0000 174.0657 15 R 4.4391 7.7759 118.9049 55.7310 30.4728 176.1097 16 L 4.0942 7.4144 119.0537 56.4165 41.8843 177.0759 17 G 4.0412 9.0029 120.6304 46.7746 0.0000 175.8055 18 R 3.8558 7.2761 111.2669 56.8391 29.2748 178.8679 *25 G 3.8538 7.7036 106.8594 46.8482 0.0000 173.2303 26 G 3.9171 8.4742 107.8091 45.5149 0.0000 173.9147 27 T 4.1986 7.6679 117.9054 63.1813 68.9372 175.3219 28 T 4.9443 9.3100 119.5767 60.8084 71.1631 175.2049 29 H 4.0345 8.6165 120.4308 59.4057 29.9277 176.9139 30 D 4.3541 8.0933 120.3221 57.4853 40.6171 178.5103 31 E 3.9616 8.0946 118.6969 59.1594 29.3787 179.1254 32 L 3.7929 7.9804 120.5535 57.9567 42.0814 179.1530 33 V 3.4172 7.7991 118.0526 65.8835 31.5166 177.9095 34 A 3.9497 7.8670 120.3458 55.1580 18.3654 179.5907 35 L 3.9455 8.0924 117.7070 58.0418 41.5858 179.9044 36 I 3.7321 7.9181 119.8880 64.0698 37.1159 177.9525 37 E 3.8843 8.1210 120.2776 59.5313 29.4683 179.2747 38 R 3.9391 7.8192 117.4742 59.1670 30.1351 178.6832 39 E 3.9268 8.1653 118.6561 59.1589 29.6549 178.6592 40 A 3.9966 8.3456 120.9196 55.0872 18.3388 179.5108 41 A 3.9613 7.8413 118.9004 55.2622 18.2192 179.7655 42 E 3.9079 7.9205 116.1623 59.5650 29.7045 179.2262 43 L 4.2433 7.9745 116.9205 55.0046 41.9870 177.1534 44 G 3.8172 7.7546 106.4209 46.4454 0.0000 172.9424 45 L 4.9436 7.9914 120.1725 54.1033 44.3060 176.2299 46 K 4.6712 8.7250 122.5167 53.7851 33.8617 175.6670 47 A 5.0742 8.4500 125.0360 49.4872 21.9277 175.2896 48 V 4.1295 8.7588 123.2670 61.1404 33.6575 174.4808 49 V 4.5780 8.2521 128.4103 61.5445 32.7152 175.0684 50 R 4.5473 9.1008 126.5822 54.3126 34.0351 174.2584 51 Q 5.1624 8.5452 122.2582 54.7519 32.0238 173.9307 52 S 4.7952 9.2027 119.5479 57.3577 66.1057 174.1712 53 D 4.6298 8.9284 124.6470 54.9869 41.4457 176.6526 54 S 4.4984 7.9620 115.7234 56.6168 63.4341 173.7139 55 E 3.8333 8.7309 129.9336 59.4574 29.5279 178.3425 56 A 3.8917 7.9071 120.1820 55.3141 18.5172 179.2588 57 Q 3.4309 7.5469 117.4148 58.9914 29.0115 178.3947 58 L 4.0723 7.6229 120.0831 57.6348 41.6069 179.3866 59 L 3.8592 7.9337 119.0567 57.7847 41.5544 179.0658 60 D 4.3013 7.8020 117.8251 57.2123 41.1869 178.4048 61 W 4.5505 7.9107 119.0997 59.7186 28.9402 178.7075 62 I 3.7954 7.9701 119.9740 64.6550 36.5777 177.9171 63 H 4.2482 8.2281 117.1187 59.2544 28.5078 177.7814 64 Q 4.0521 8.3123 119.3251 59.0630 28.5092 178.8623 65 A 4.0125 8.0805 120.9228 54.6956 18.1941 179.7032 66 A 3.9404 8.1768 119.8300 55.6122 18.3194 179.6693 67 D 4.2546 8.0074 115.8548 57.3266 40.9700 177.5204 68 A 4.1639 8.3060 119.1285 51.7390 18.9931 176.5793 69 A 3.8040 7.2854 117.8839 53.2074 16.7589 176.8714 70 E 4.7840 8.0923 118.7540 54.6451 31.9649 175.9723 71 P 4.6364 0.0000 0.0000 62.8553 33.0243 175.2805 72 V 4.8165 8.6079 122.1013 61.2292 34.9509 174.1494 73 I 4.7925 9.0519 128.8912 59.6479 39.2167 174.2333 74 L 5.1213 8.9853 130.0835 53.1881 44.9107 174.5235 75 N 5.2192 9.4161 125.3946 51.1497 40.2124 174.5033 76 A 4.3853 8.7283 128.7712 51.5997 20.4113 178.2450 77 G 3.8315 7.8833 106.2990 46.5146 0.0000 178.1916 78 G 3.7545 8.6908 112.2886 47.8355 0.0000 174.9871 79 L 4.2078 7.7367 121.3050 56.8442 41.4158 179.1293 80 T 3.9041 7.5440 116.6356 66.9537 68.2650 175.1508 81 H 4.9961 7.6679 114.1980 56.4418 29.3657 175.9225 82 T 4.6324 7.8140 109.0179 61.0394 70.2705 173.0732 83 S 4.5811 8.1920 117.5467 56.5226 62.7690 174.5826 84 V 3.3154 7.9301 128.3129 65.5317 31.3089 177.3796 85 A 3.9494 7.8680 120.2541 55.2316 18.1897 179.2571 86 L 3.8880 8.1506 118.9074 58.0513 42.2885 178.9790 87 R 3.9035 7.6201 117.7729 59.7706 29.8173 178.3069 88 D 4.3856 8.3674 117.4026 57.1397 40.9042 178.3374 89 A 4.2028 8.0226 121.4199 55.4929 18.5423 179.5546 90 C 4.1932 8.2683 114.7149 62.4718 27.9233 175.9820 91 A 4.1450 7.6351 121.1679 54.5621 17.9760 178.9649 92 E 4.1918 7.8398 116.3529 57.4750 29.7199 177.3844 93 L 4.1205 7.2480 120.0018 54.9118 41.9471 177.0079 94 S 4.4028 8.6693 118.0825 59.7755 64.1529 174.5869 95 A 4.4038 7.6929 121.1721 50.4778 19.4672 175.7148 96 P 4.4102 0.0000 0.0000 62.8084 32.9926 175.1883 97 L 5.1694 8.7838 124.8036 53.3967 44.8546 174.9271 98 I 4.7432 8.6562 127.7400 59.4123 39.5431 174.5747 99 E 4.5776 8.8770 129.3505 55.8334 30.5679 175.4744 100 V 4.5364 8.6548 125.9852 61.3459 35.1022 173.7295 101 H 5.0048 8.8153 123.7778 54.1873 32.1901 174.5423 102 I 3.8433 8.6828 124.2689 64.3514 37.8991 176.8259 103 S 4.6422 7.9131 114.2973 56.9118 64.5380 173.5951 104 N 4.5018 8.3994 120.1846 52.9545 37.6627 175.9305 105 V 3.6703 8.0984 125.8640 63.8623 31.7855 176.8122 106 H 4.4519 8.0062 115.8934 56.2988 28.8886 175.4100 107 A 4.5341 7.7437 121.5338 51.9540 19.6908 177.3369 108 R 4.8054 7.1623 116.0297 54.6910 32.6385 175.5199 109 E 3.9813 8.2540 118.4666 57.2746 30.2867 177.7966 110 E 3.9330 8.7434 121.5031 59.4486 29.7206 179.5398 111 F 4.3326 7.8401 112.3002 59.2632 38.0504 176.2859 112 R 3.5751 6.8264 118.9320 57.6165 30.0036 177.2231 113 R 4.1592 7.6656 115.9531 56.3733 30.2915 175.5016 114 H 4.9151 7.8643 117.6789 54.1431 32.2378 172.9395 115 S 4.6603 7.7407 119.0584 56.7365 65.1370 173.5961 116 Y 4.2476 8.5000 125.3605 60.4769 38.3944 177.1432 117 L 4.2707 7.9699 119.7269 57.3596 42.4633 178.9307 118 S 4.2847 8.0106 113.9676 60.4612 62.8839 175.1657 119 P 4.2449 0.0000 0.0000 64.7417 31.1175 177.0641 120 I 4.1883 7.4832 108.6783 60.5497 38.3983 175.7679 121 A 4.3650 7.3829 124.3567 51.9497 19.3543 177.8192 122 T 4.0518 8.7338 117.7294 66.4559 68.8809 175.0723 123 G 4.0957 7.6011 105.8527 45.1254 0.0000 171.5306 124 V 4.9263 8.1205 119.2865 60.8723 34.5432 174.4893 125 I 4.5241 8.6376 128.3055 59.4713 39.5858 174.7277 126 V 4.5976 7.9680 125.9164 61.8262 34.8405 175.9762 127 G 4.1642 8.6174 114.5026 46.3619 0.0000 173.6058 128 L 4.4670 7.4654 117.4117 53.6962 42.5081 178.9200 129 G 3.8801 7.8888 108.3603 46.0366 0.0000 175.3819 130 I 3.9964 8.3868 118.1571 64.6874 37.0018 177.9600 131 Q 4.2076 8.3371 118.6285 58.7646 28.5893 178.6541 132 G 3.7110 8.0523 106.6647 48.1912 0.0000 175.2948 133 Y 4.0142 8.0860 118.6014 61.0251 38.0439 178.6380 134 L 4.1150 8.0220 119.3978 57.7469 41.7742 179.4479 135 L 4.0656 8.3908 119.1895 57.5980 41.5579 179.3372 136 A 4.0491 7.9835 120.5061 55.0470 18.2940 179.6075 137 L 4.0027 8.0795 117.6089 58.0381 41.5897 179.7930 138 R 3.9257 8.0639 118.5012 59.3628 29.7873 177.7539 139 Y 4.0666 7.8863 118.5942 60.9647 38.5674 178.1127 140 L 4.1262 8.0803 118.9353 57.4555 41.4744 179.2994 141 A 4.0780 7.8388 120.3537 54.3410 18.3200 178.4928 142 E 4.4535 7.5619 114.0276 56.3201 29.9173 175.9994 143 H 4.2585 7.5039 121.7481 55.9003 29.4906 173.3547 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 3 L 8.04 4.33 0.00 1.79 1.65 0.92 0.71 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 4 I 8.34 4.75 1.86 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 1.22 0.86 0.89 0.00 0.00 5 V 9.81 4.33 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 1.08 0.00 0.00 0.95 0.00 0.00 6 N 8.98 5.01 0.00 2.78 2.67 0.00 0.00 6.16 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 7 V 9.14 4.72 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 0.88 0.00 0.00 0.96 0.00 0.00 8 I 8.99 4.90 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.52 1.15 0.00 0.00 9 N 9.60 5.34 0.00 2.80 2.82 0.00 0.00 6.42 7.51 0.00 0.00 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 G 9.19 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.43 0.00 2.08 2.06 0.00 4.05 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 2.06 2.31 0.00 12 N 9.42 4.49 0.00 2.98 3.01 0.00 0.00 6.84 6.29 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 13 L 7.71 4.22 0.00 1.95 1.81 1.15 1.43 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 14 G 8.04 3.72 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 0.00 0.00 0.00 15 R 7.78 4.44 0.00 2.08 1.96 0.00 3.31 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 16 L 7.41 4.09 0.00 1.86 1.87 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.00 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 0.00 0.00 0.00 0.00 18 R 7.28 3.86 0.00 1.85 1.84 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 *25 G 7.70 3.85 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 0.00 0.00 0.00 26 G 8.47 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 27 T 7.67 4.20 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 1.18 0.00 0.00 28 T 9.31 4.94 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 29 H 8.62 4.03 0.00 3.20 3.32 0.00 5.68 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 30 D 8.09 4.35 0.00 2.72 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 0.00 31 E 8.09 3.96 0.00 2.19 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 2.31 2.30 0.00 32 L 7.98 3.79 0.00 1.58 1.60 0.45 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.80 3.42 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 0.85 0.00 0.00 34 A 7.87 3.95 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 35 L 8.09 3.95 0.00 1.80 1.70 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.92 3.73 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.88 0.00 0.00 37 E 8.12 3.88 0.00 2.13 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 2.29 2.34 0.00 38 R 7.82 3.94 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 39 E 8.17 3.93 0.00 2.24 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 0.00 2.33 2.38 0.00 40 A 8.35 4.00 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 41 A 7.84 3.96 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 42 E 7.92 3.91 0.00 2.15 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 2.34 2.47 0.00 43 L 7.97 4.24 0.00 1.63 1.72 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.75 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 0.00 0.00 0.00 45 L 7.99 4.94 0.00 1.77 1.61 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.73 4.67 0.00 1.48 1.71 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.25 7.81 47 A 8.45 5.07 1.17 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 0.00 0.00 48 V 8.76 4.13 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 0.77 0.00 0.00 0.87 0.00 0.00 49 V 8.25 4.58 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 0.73 0.00 0.00 0.84 0.00 0.00 50 R 9.10 4.55 0.00 0.87 0.66 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.99 0.00 51 Q 8.55 5.16 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.16 0.00 52 S 9.20 4.80 0.00 4.02 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.93 4.63 0.00 2.71 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 54 S 7.96 4.50 0.00 3.82 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 3.83 0.00 2.04 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 2.34 2.36 0.00 56 A 7.91 3.89 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 57 Q 7.55 3.43 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 58 L 7.62 4.07 0.00 1.87 1.75 0.96 0.89 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 59 L 7.93 3.86 0.00 1.74 1.56 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.80 4.30 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.91 4.55 0.00 3.65 3.06 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 62 I 7.97 3.80 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.87 0.98 0.00 0.00 63 H 8.23 4.25 0.00 3.40 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.31 4.05 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 65 A 8.08 4.01 1.42 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 0.00 0.00 66 A 8.18 3.94 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 67 D 8.01 4.25 0.00 2.73 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 68 A 8.31 4.16 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 69 A 7.29 3.80 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 70 E 8.09 4.78 0.00 1.85 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 0.00 2.26 2.49 0.00 71 P 0.00 4.64 0.00 2.10 2.01 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.61 4.82 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 1.15 0.00 0.00 0.96 0.00 0.00 73 I 9.05 4.79 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.90 0.00 0.00 74 L 8.99 5.12 0.00 1.72 1.48 1.01 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.42 5.22 0.00 2.77 3.01 0.00 0.00 6.94 7.67 0.00 0.00 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 A 8.73 4.39 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 77 G 7.88 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 0.00 0.00 0.00 0.00 78 G 8.69 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 0.00 0.00 0.00 79 L 7.74 4.21 0.00 1.83 1.75 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.54 3.90 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 1.25 0.00 0.00 81 H 7.67 5.00 0.00 3.30 3.47 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 82 T 7.81 4.63 4.30 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 1.36 0.00 0.00 83 S 8.19 4.58 0.00 3.86 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 84 V 7.93 3.32 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 0.89 0.00 0.00 0.36 0.00 0.00 85 A 7.87 3.95 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 86 L 8.15 3.89 0.00 1.75 1.67 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.62 3.90 0.00 2.00 2.09 0.00 3.39 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 88 D 8.37 4.39 0.00 2.77 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 89 A 8.02 4.20 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 90 C 8.27 4.19 0.00 3.19 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 91 A 7.64 4.14 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 92 E 7.84 4.19 0.00 2.09 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 0.00 2.36 2.37 0.00 93 L 7.25 4.12 0.00 1.77 1.79 0.97 0.83 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 94 S 8.67 4.40 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.40 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 96 P 0.00 4.41 0.00 2.20 2.11 0.00 3.58 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 2.20 2.16 0.00 97 L 8.78 5.17 0.00 1.75 1.49 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.66 4.74 1.80 0.00 0.00 0.67 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 0.91 0.79 0.00 0.00 99 E 8.88 4.58 0.00 2.01 1.74 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 2.15 2.18 0.00 100 V 8.65 4.54 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.63 0.00 0.00 101 H 8.82 5.00 0.00 3.03 3.09 0.00 5.67 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 0.00 102 I 8.68 3.84 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.23 0.97 0.00 0.00 103 S 7.91 4.64 0.00 3.97 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 0.00 104 N 8.40 4.50 0.00 2.74 2.76 0.00 0.00 6.65 7.71 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 0.00 105 V 8.10 3.67 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 0.50 0.00 0.00 0.84 0.00 0.00 106 H 8.01 4.45 0.00 3.13 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.74 4.53 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 0.00 108 R 7.16 4.81 0.00 1.61 1.70 0.00 3.18 0.00 0.00 3.14 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 109 E 8.25 3.98 0.00 1.16 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 110 E 8.74 3.93 0.00 2.00 2.01 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 2.37 2.25 0.00 111 F 7.84 4.33 0.00 3.06 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 0.00 112 R 6.83 3.58 0.00 1.62 1.72 0.00 2.86 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 113 R 7.67 4.16 0.00 1.91 1.99 0.00 3.08 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 114 H 7.86 4.92 0.00 2.99 3.12 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.74 4.66 0.00 3.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.50 4.25 0.00 3.06 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 0.00 117 L 7.97 4.27 0.00 1.72 1.71 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.01 4.28 0.00 3.88 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 0.00 119 P 0.00 4.24 0.00 2.06 2.13 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 120 I 7.48 4.19 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 1.27 0.69 0.94 0.00 0.00 121 A 7.38 4.37 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 0.00 122 T 8.73 4.05 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 1.22 0.00 0.00 123 G 7.60 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.12 4.93 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 0.95 0.00 0.00 0.97 0.00 0.00 125 I 8.64 4.52 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.86 0.00 0.00 126 V 7.97 4.60 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 1.00 0.00 0.00 0.95 0.00 0.00 127 G 8.62 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.47 4.47 0.00 1.45 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.89 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 0.00 130 I 8.39 4.00 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.42 0.94 0.00 0.00 131 Q 8.34 4.21 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 132 G 8.05 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 0.00 133 Y 8.09 4.01 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.02 4.11 0.00 1.83 1.75 1.05 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.39 4.07 0.00 1.68 1.73 0.93 1.14 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 0.00 136 A 7.98 4.05 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 0.00 137 L 8.08 4.00 0.00 2.00 1.77 0.95 0.70 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 0.00 138 R 8.06 3.93 0.00 1.95 2.13 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 139 Y 7.89 4.07 0.00 3.01 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 0.00 140 L 8.08 4.13 0.00 1.93 1.74 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.84 4.08 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 0.00 142 E 7.56 4.45 0.00 1.83 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 2.22 2.29 0.00 143 H 7.50 4.26 0.00 2.83 2.96 0.00 5.88 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.