NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4420 8.3049 118.1962 54.7855 32.8392 174.7918 2 H 4.3429 8.3691 116.3015 55.1140 30.3150 172.8332 3 K 5.0662 10.1626 123.3049 54.6501 35.5976 174.5289 4 V 4.8099 9.2565 127.3082 61.0107 34.5729 174.1467 5 V 4.9734 8.5858 127.1213 61.2015 34.6068 174.0780 6 I 4.8422 9.2743 129.1642 60.4397 38.9471 175.0051 7 V 4.7933 9.2182 125.9991 59.0245 35.0643 174.7162 8 G 4.6869 8.6156 116.2673 45.8193 0.0000 172.0058 9 R 2.5100 7.9754 117.0652 54.0800 29.5316 174.7841 10 P 3.9435 0.0000 0.0000 63.9062 31.7217 176.5682 11 N 4.2999 8.5206 116.4565 54.3339 35.8377 175.6214 12 V 3.8160 6.9712 117.8783 61.8498 32.3096 176.7697 13 G 4.1231 8.1230 110.1366 45.7946 0.0000 175.8696 14 K 3.9852 8.3289 121.2369 59.2899 32.0928 179.2691 15 S 4.2916 7.9860 114.0269 61.5028 63.1016 176.5468 16 S 4.1534 7.9921 118.3445 61.3268 62.7054 176.1949 17 L 4.3309 8.0384 124.4268 57.4556 41.8331 178.6987 18 F 4.1045 8.6994 121.1093 61.5139 39.4938 176.8954 19 N 4.3580 8.5350 116.0438 56.3102 38.2650 177.6984 20 R 3.9216 7.9080 119.0467 59.2942 29.9660 179.1525 21 L 3.9925 7.6679 117.6293 57.6182 41.6570 179.0311 22 L 3.8234 7.4701 119.4876 57.7468 42.0281 178.7128 23 K 4.0882 7.5729 116.6909 57.0534 32.5424 177.6848 24 K 3.8675 6.9528 118.2023 57.0215 32.4394 175.9331 25 R 4.7229 8.2528 119.9739 54.7840 33.7736 174.9998 26 S 4.5709 8.3644 110.3403 58.6102 62.9458 173.7065 *38 D 4.5054 8.0267 115.9167 52.0986 40.5484 173.5540 39 L 4.8372 7.8007 120.8033 53.9228 44.0592 175.4381 40 K 4.4825 8.4066 125.0982 54.6542 34.1731 175.0580 41 E 5.3687 8.7495 124.0325 54.7649 32.8188 175.5164 42 G 4.2673 9.3216 109.1200 45.2060 0.0000 172.0632 43 V 4.4616 8.2520 122.8050 61.3829 32.6286 175.2299 44 V 3.9273 7.9992 129.0595 61.7583 32.9619 174.3809 45 E 5.2858 8.4312 127.8392 55.0856 32.6804 174.1621 46 T 4.6574 8.7818 116.0208 60.2238 71.9978 173.8864 47 D 4.3265 8.5354 119.7952 55.8556 39.3091 177.5587 48 R 3.5604 7.3520 118.0691 57.0939 30.7144 176.0519 49 G 3.5394 6.4442 104.4206 43.7295 0.0000 172.3192 50 R 5.5980 8.6023 116.1692 54.7725 32.5910 174.7160 51 F 5.0258 8.5502 114.2020 55.7562 42.0892 172.5438 52 L 4.7497 9.3971 123.1917 54.1914 43.4419 174.8140 53 L 5.3463 9.4108 129.4098 53.5692 44.2623 175.0037 54 V 4.9966 9.2115 126.2425 61.1653 34.8198 173.3169 55 D 5.1900 9.1282 128.1403 52.8203 42.6117 176.4630 56 T 4.4329 8.6004 115.3282 61.4305 69.9392 176.6035 57 G 3.7791 8.6023 113.4736 49.0459 0.0000 176.2110 58 G 4.1313 7.8905 106.4953 47.1591 0.0000 174.4349 59 L 4.1866 8.0110 119.2370 56.3912 41.9136 177.3091 60 W 4.6178 8.0710 118.6853 56.0813 30.1128 176.5030 61 S 4.4665 8.9146 119.1802 60.6508 63.2506 174.0425 62 G 4.4098 7.7424 108.1464 44.5720 0.0000 172.2244 63 D 4.8820 8.9069 122.2470 53.1407 39.9375 175.6629 64 K 4.6091 7.9474 121.1757 54.7978 33.5075 175.3659 65 W 4.1290 8.8933 135.0000 56.7226 31.2188 175.4249 66 E 4.4469 7.3046 122.7366 53.2683 33.5615 175.6550 67 K 3.3880 8.3283 119.8556 59.6940 31.4793 178.3965 68 K 3.7034 7.6133 118.9305 59.5156 32.0642 178.7516 69 I 3.3345 6.9615 119.4589 64.1424 36.9265 177.9061 70 Q 2.9029 6.9022 120.5240 58.9293 28.2595 178.4119 71 E 3.8761 8.0349 119.6853 59.0400 29.4339 179.4378 72 K 3.9694 7.4257 118.2191 59.2071 32.1689 179.5857 73 V 3.6818 7.9231 118.8899 65.9222 31.2062 177.6555 74 D 4.6513 8.0866 119.5451 57.0478 41.1309 178.9020 75 R 4.2459 7.8066 117.7172 59.1353 29.8597 178.9613 76 A 4.1130 7.9763 119.6435 54.4673 18.6878 178.6872 77 L 4.3845 8.1603 115.9578 56.3388 41.8355 178.8696 78 E 3.6019 7.4646 116.0770 58.1678 29.9666 178.0065 79 D 4.9445 7.5744 119.9744 52.7844 40.4232 176.5175 80 A 4.2745 7.9019 122.8296 53.5337 19.0517 178.2667 81 E 4.3605 9.0552 121.9323 58.0392 30.8475 177.1515 82 V 4.5649 7.4417 117.4798 61.1720 35.6179 173.6756 83 V 4.8095 8.5522 126.1213 61.0793 34.3986 174.2709 84 L 4.8579 8.9614 128.3704 53.2016 43.3195 175.7061 85 F 5.1716 9.0212 128.7951 57.1088 40.0906 174.2380 86 A 4.7781 9.0643 129.9523 51.0477 19.5408 176.7731 87 V 4.2090 8.0277 115.7330 58.8956 35.7994 174.9424 88 D 4.6774 8.1328 124.1051 54.3522 41.0621 176.4057 89 G 3.7525 9.1915 113.1165 47.6647 0.0000 174.2145 90 R 4.4162 8.2030 117.4264 57.6226 31.8930 176.7171 91 A 4.1939 8.4340 118.9658 51.6755 18.9634 177.0003 92 E 4.2629 8.3072 118.9797 55.5893 30.3561 177.4159 93 L 4.0991 8.3302 121.4177 55.2875 42.4188 177.2383 94 T 4.7180 8.8511 112.3269 59.4454 72.7252 175.2183 95 Q 4.1647 8.7255 120.9929 59.6548 28.8603 178.2767 96 A 4.2058 8.1807 121.0145 55.3379 18.4254 179.1646 97 D 4.3819 8.0634 117.3095 57.8946 40.9073 178.6854 98 Y 4.2301 8.0960 117.1742 61.0913 37.8500 178.4460 99 E 4.0524 8.5444 119.7449 59.3384 29.5615 179.5252 100 V 2.6772 7.8363 118.2896 65.3882 31.4859 177.9776 101 A 3.8486 8.1675 120.7824 55.0419 18.2797 179.2535 102 E 3.9271 8.2563 117.8878 59.4873 29.5894 178.2949 103 Y 4.1647 8.0638 119.5913 60.8733 38.9934 178.2573 104 L 3.7559 7.9994 119.8404 57.5764 41.4033 179.7046 105 R 4.0435 7.9966 117.2769 59.3357 30.0905 178.9576 106 R 4.0340 7.8049 116.6488 59.2703 30.1491 178.9083 107 K 3.9204 7.8175 117.5781 57.3902 31.9646 178.3487 108 G 3.8883 7.6362 104.5293 45.7448 0.0000 173.6142 109 K 4.2924 7.5997 117.9785 54.5276 33.3476 174.9543 110 P 4.3911 0.0000 0.0000 63.2234 32.4033 175.3751 111 V 4.7533 8.3440 122.7763 61.0872 34.4432 174.3633 112 I 4.3787 8.8711 128.7973 59.3576 39.4878 174.5151 113 L 4.4329 8.4953 130.1917 54.6108 43.3957 175.2900 114 V 4.7171 8.6675 127.2209 61.0628 33.8010 174.0480 115 A 4.9177 8.7028 130.7961 51.2257 20.2621 176.4874 116 T 4.6257 8.6101 112.8997 59.8266 72.0939 174.6389 117 K 3.9656 8.4193 117.6439 57.6209 29.8258 177.3523 118 V 4.0401 7.7242 119.7033 61.7605 29.6575 175.3818 119 D 4.4693 8.0463 122.5454 56.0535 41.7504 176.4764 120 D 4.9388 7.8711 116.9243 50.7548 44.6403 174.0467 121 P 4.4783 0.0000 0.0000 65.7481 31.3368 179.0395 122 K 3.9753 9.4652 118.7351 60.2441 32.3848 178.9414 123 H 4.5865 8.2261 117.1502 58.5279 28.3219 177.4419 124 E 4.0921 7.9619 119.8968 58.9330 29.2981 178.5597 125 L 3.9970 7.5316 118.8890 56.7704 42.0326 176.7073 126 Y 4.8763 7.4063 115.7437 58.2404 38.3858 176.0984 127 L 4.5917 8.0606 118.2336 54.4924 42.8279 178.6701 128 G 4.0805 8.3345 109.8160 48.4241 0.0000 174.2672 129 P 4.4181 0.0000 0.0000 64.9999 31.8292 178.7518 130 L 4.0230 8.5226 118.7530 57.8592 41.5867 178.7836 131 Y 4.1494 8.2146 114.8405 60.0728 37.7257 177.0769 132 G 3.9943 8.0054 108.2885 45.8928 0.0000 175.6151 133 L 3.9334 7.8518 119.9295 56.3448 41.7418 178.0865 134 G 3.6325 7.7928 106.4300 45.6814 0.0000 173.7290 135 F 4.7990 7.9220 114.3918 56.4965 40.0620 176.3965 136 G 3.8604 8.1328 109.7306 44.3689 0.0000 172.8950 137 D 3.9361 8.3806 118.5034 53.6323 41.2333 174.7406 138 P 4.5374 0.0000 0.0000 62.6646 32.9409 175.6434 139 I 4.3890 8.5495 123.3824 59.0529 38.5080 173.3570 140 P 4.9345 0.0000 0.0000 62.9586 32.4483 175.5697 141 T 4.8834 9.1538 113.7611 60.1766 73.2170 172.9486 142 S 4.6280 8.6976 116.6187 57.4776 65.3537 174.9939 143 S 4.1848 8.9415 124.2291 61.1710 63.3173 176.3377 144 E 3.9893 8.3000 120.3240 59.0365 29.4465 176.9143 145 H 4.7296 8.2626 112.1291 54.4969 29.5593 174.3366 146 A 3.8064 7.1610 120.4730 53.4814 16.5152 177.5979 147 R 4.5474 8.2157 120.3011 55.6871 32.9918 178.3586 148 G 3.9867 8.6807 107.6186 46.5311 0.0000 175.5264 149 L 4.0671 7.6953 121.0850 57.5075 41.6054 179.1188 150 E 3.9995 8.1069 118.2832 59.3519 29.5532 178.6210 151 E 3.9570 8.1904 118.9068 59.1688 29.6143 178.5002 152 L 3.9381 8.0513 120.2448 58.2690 42.2521 178.9876 153 L 4.1340 8.0686 118.9584 57.7133 41.6239 179.1672 154 E 4.0444 8.4743 119.1777 59.2622 29.3921 178.7677 155 A 4.3644 7.7562 121.0197 54.6145 18.8239 179.3537 156 I 3.5676 7.8951 118.3997 64.4462 37.0640 178.8670 157 W 4.0723 8.2209 119.3435 59.4169 28.7043 178.3176 158 E 4.1397 8.3976 118.1099 58.2043 28.6704 178.1846 159 R 4.6091 7.5506 115.5980 54.6853 31.2814 175.8016 160 L 4.0742 6.9064 120.5297 52.8895 41.9831 175.0823 161 P 4.4497 0.0000 0.0000 62.9838 31.4364 176.1336 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 2.19 2.23 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 H 8.37 4.34 0.00 3.12 3.07 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 10.16 5.07 0.00 1.78 1.88 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 4 V 9.26 4.81 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 0.78 0.00 0.00 0.17 0.00 0.00 5 V 8.59 4.97 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 1.06 0.00 0.00 1.02 0.00 0.00 6 I 9.27 4.84 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.51 0.96 0.00 0.00 7 V 9.22 4.79 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 1.18 0.00 0.00 1.03 0.00 0.00 8 G 8.62 4.69 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 0.00 0.00 0.00 9 R 7.98 2.51 0.00 1.48 1.74 0.00 3.00 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 10 P 0.00 3.94 0.00 2.04 1.87 0.00 3.26 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 2.21 1.63 0.00 11 N 8.52 4.30 0.00 2.79 2.85 0.00 0.00 6.94 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 12 V 6.97 3.82 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 0.61 0.00 0.00 0.81 0.00 0.00 13 G 8.12 4.12 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 0.00 0.00 0.00 14 K 8.33 3.99 0.00 1.77 2.01 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.42 7.81 15 S 7.99 4.29 0.00 4.04 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 16 S 7.99 4.15 0.00 4.03 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 17 L 8.04 4.33 0.00 1.84 1.91 0.94 0.52 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 18 F 8.70 4.10 0.00 3.25 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 19 N 8.54 4.36 0.00 2.99 2.89 0.00 0.00 7.09 7.18 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 20 R 7.91 3.92 0.00 2.02 1.97 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 21 L 7.67 3.99 0.00 1.63 1.68 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.47 3.82 0.00 1.15 1.58 0.73 0.35 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 23 K 7.57 4.09 0.00 1.95 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.61 1.60 7.81 24 K 6.95 3.87 0.00 1.87 1.77 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.60 7.81 25 R 8.25 4.72 0.00 1.73 1.80 0.00 3.13 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 26 S 8.36 4.57 0.00 3.71 3.73 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 *38 D 8.03 4.51 0.00 2.99 2.91 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 39 L 7.80 4.84 0.00 1.64 1.57 0.94 0.62 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 40 K 8.41 4.48 0.00 1.06 0.74 0.00 1.29 0.00 0.00 1.49 0.00 0.00 2.23 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.16 1.15 7.81 41 E 8.75 5.37 0.00 1.86 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 2.24 2.29 0.00 42 G 9.32 4.27 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 0.00 43 V 8.25 4.46 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 0.78 0.00 0.00 0.93 0.00 0.00 44 V 8.00 3.93 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 0.00 0.00 0.70 0.00 0.00 0.56 0.00 0.00 45 E 8.43 5.29 0.00 1.91 1.70 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 2.17 2.30 0.00 46 T 8.78 4.66 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 1.30 0.00 0.00 47 D 8.54 4.33 0.00 2.71 2.79 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 48 R 7.35 3.56 0.00 1.20 0.66 0.00 3.18 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 49 G 6.44 3.54 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 0.00 0.00 0.00 50 R 8.60 5.60 0.00 1.82 1.95 0.00 3.11 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 51 F 8.55 5.03 0.00 3.15 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 52 L 9.40 4.75 0.00 1.80 1.67 1.01 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 53 L 9.41 5.35 0.00 1.86 1.63 1.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 V 9.21 5.00 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 0.96 0.00 0.00 1.02 0.00 0.00 55 D 9.13 5.19 0.00 2.53 2.06 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 56 T 8.60 4.43 4.40 0.00 0.00 0.00 0.00 0.00 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 57 G 8.60 3.78 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 0.00 0.00 0.00 58 G 7.89 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.01 4.19 0.00 1.93 1.75 0.94 0.89 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 60 W 8.07 4.62 0.00 3.31 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.91 4.47 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.74 4.41 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 0.00 63 D 8.91 4.88 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.95 4.61 0.00 1.83 1.82 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.50 7.81 65 W 8.89 4.13 0.00 3.30 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.30 4.45 0.00 1.97 1.82 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 1.98 2.04 0.00 67 K 8.33 3.39 0.00 1.67 1.70 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 68 K 7.61 3.70 0.00 1.65 1.58 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.37 7.81 69 I 6.96 3.33 0.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.12 -0.15 0.00 0.00 70 Q 6.90 2.90 0.00 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 71 E 8.03 3.88 0.00 2.02 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 2.22 2.45 0.00 72 K 7.43 3.97 0.00 1.83 1.79 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 73 V 7.92 3.68 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 1.29 0.00 0.00 1.07 0.00 0.00 74 D 8.09 4.65 0.00 2.95 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 75 R 7.81 4.25 0.00 1.99 1.98 0.00 3.11 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 1.65 1.85 0.00 76 A 7.98 4.11 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 77 L 8.16 4.38 0.00 1.95 1.74 1.05 0.82 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 78 E 7.46 3.60 0.00 2.02 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 2.60 2.47 0.00 79 D 7.57 4.94 0.00 2.76 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 80 A 7.90 4.27 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 81 E 9.06 4.36 0.00 1.82 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 2.27 0.00 82 V 7.44 4.56 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.72 0.00 0.00 83 V 8.55 4.81 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 0.84 0.00 0.00 0.88 0.00 0.00 84 L 8.96 4.86 0.00 1.61 1.59 0.95 0.68 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 85 F 9.02 5.17 0.00 2.69 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 86 A 9.06 4.78 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 87 V 8.03 4.21 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 -0.31 0.00 0.00 0.62 0.00 0.00 88 D 8.13 4.68 0.00 2.59 2.51 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 0.00 0.00 0.00 0.00 89 G 9.19 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 90 R 8.20 4.42 0.00 1.85 1.88 0.00 3.06 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 91 A 8.43 4.19 1.21 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 0.00 0.00 92 E 8.31 4.26 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 2.30 2.27 0.00 93 L 8.33 4.10 0.00 1.58 1.09 0.78 0.55 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 94 T 8.85 4.72 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 1.26 0.00 0.00 95 Q 8.73 4.16 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 96 A 8.18 4.21 1.60 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 0.00 0.00 97 D 8.06 4.38 0.00 2.71 2.55 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 98 Y 8.10 4.23 0.00 3.25 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 99 E 8.54 4.05 0.00 2.10 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 2.45 2.70 0.00 100 V 7.84 2.68 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 0.46 0.00 0.00 0.32 0.00 0.00 101 A 8.17 3.85 1.75 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 0.00 102 E 8.26 3.93 0.00 2.30 2.18 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 2.37 2.42 0.00 103 Y 8.06 4.16 0.00 3.25 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 0.00 104 L 8.00 3.76 0.00 1.66 1.42 0.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.00 4.04 0.00 1.94 1.96 0.00 3.01 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.89 0.00 106 R 7.80 4.03 0.00 1.99 1.94 0.00 3.22 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 107 K 7.82 3.92 0.00 1.55 1.67 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.60 0.80 7.81 108 G 7.64 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 0.00 109 K 7.60 4.29 0.00 1.67 1.68 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.48 7.81 110 P 0.00 4.39 0.00 2.01 1.95 0.00 3.61 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 2.17 2.07 0.00 111 V 8.34 4.75 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 0.18 0.00 0.00 0.73 0.00 0.00 112 I 8.87 4.38 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 0.87 0.00 0.00 113 L 8.50 4.43 0.00 1.83 1.51 0.59 0.78 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 0.00 114 V 8.67 4.72 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 0.85 0.00 0.00 0.89 0.00 0.00 115 A 8.70 4.92 1.18 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 0.00 0.00 116 T 8.61 4.63 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 1.14 0.00 0.00 117 K 8.42 3.97 0.00 1.86 1.87 0.00 1.97 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.35 7.81 118 V 7.72 4.04 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 0.86 0.00 0.00 1.02 0.00 0.00 119 D 8.05 4.47 0.00 2.74 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 0.00 120 D 7.87 4.94 0.00 2.61 2.23 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 0.00 121 P 0.00 4.48 0.00 2.18 2.10 0.00 3.64 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 2.11 2.16 0.00 122 K 9.47 3.98 0.00 1.90 2.04 0.00 1.36 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.37 7.81 123 H 8.23 4.59 0.00 3.34 3.44 0.00 5.62 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 0.00 124 E 7.96 4.09 0.00 2.12 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 2.37 2.34 0.00 125 L 7.53 4.00 0.00 1.40 0.92 0.78 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.41 4.88 0.00 3.18 2.91 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 0.00 127 L 8.06 4.59 0.00 1.90 1.76 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.33 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 0.00 129 P 0.00 4.42 0.00 2.25 2.23 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 130 L 8.52 4.02 0.00 1.94 1.57 0.92 0.81 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 0.00 131 Y 8.21 4.15 0.00 3.05 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 0.00 132 G 8.01 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 0.00 133 L 7.85 3.93 0.00 1.96 2.10 0.87 0.94 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 0.00 134 G 7.79 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.92 4.80 0.00 3.10 3.03 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 0.00 136 G 8.13 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 0.00 0.00 0.00 137 D 8.38 3.94 0.00 2.65 2.57 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 0.00 0.00 0.00 138 P 0.00 4.54 0.00 1.90 1.80 0.00 2.48 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 139 I 8.55 4.39 1.83 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 1.26 0.69 0.97 0.00 0.00 140 P 0.00 4.93 0.00 2.12 2.19 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 141 T 9.15 4.88 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 1.31 0.00 0.00 142 S 8.70 4.63 0.00 3.99 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 0.00 143 S 8.94 4.18 0.00 3.93 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 0.00 144 E 8.30 3.99 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 145 H 8.26 4.73 0.00 3.17 3.27 0.00 5.88 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 0.00 146 A 7.16 3.81 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 0.00 147 R 8.22 4.55 0.00 1.87 1.84 0.00 3.45 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 148 G 8.68 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 0.00 149 L 7.70 4.07 0.00 1.72 1.75 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.11 4.00 0.00 1.99 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 0.00 2.41 2.32 0.00 151 E 8.19 3.96 0.00 2.04 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 2.39 2.39 0.00 152 L 8.05 3.94 0.00 1.94 1.86 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.07 4.13 0.00 2.01 1.96 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.47 4.04 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 155 A 7.76 4.36 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 0.00 156 I 7.90 3.57 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.17 -0.22 0.00 0.00 157 W 8.22 4.07 0.00 3.53 3.26 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 0.00 0.00 0.00 158 E 8.40 4.14 0.00 2.22 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 0.00 2.37 2.68 0.00 159 R 7.55 4.61 0.00 1.67 1.86 0.00 3.18 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 160 L 6.91 4.07 0.00 1.28 0.99 -0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.45 0.00 2.21 2.04 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.