NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4162 8.2893 120.3233 55.1331 34.0803 175.8103 2 S 4.3308 7.9195 111.1518 57.0422 63.6501 172.4864 3 M 4.0738 8.5395 122.5777 54.9552 33.4340 175.1742 4 P 4.1807 0.0000 0.0000 63.4077 32.1978 176.1204 5 R 4.6912 8.3430 121.8009 54.8095 33.0946 174.4080 6 Y 5.4209 7.6612 117.3987 55.6218 41.2234 174.2626 7 Y 4.5299 9.0641 122.6130 56.3560 40.5421 173.6128 8 E 5.0505 8.1232 127.3513 54.5268 31.9391 173.9112 9 Y 4.7181 9.0286 128.4329 55.9194 41.1438 174.2292 10 R 4.7338 8.1059 125.2792 54.6873 32.7791 175.1224 11 H 4.5035 8.4381 121.9161 54.5569 33.8005 171.9774 12 V 4.3858 7.8285 125.3979 61.1490 32.6118 175.5679 13 V 3.8819 8.5718 129.1990 63.4226 32.4821 175.6119 14 G 4.2646 9.3703 115.4394 44.5225 0.0000 174.0504 15 F 4.0856 8.7996 116.9883 59.9015 39.2580 177.9448 16 E 4.0524 8.3405 120.5494 58.9724 29.7257 177.2540 17 E 4.2336 8.0041 117.0747 57.4956 29.9573 176.4230 18 T 4.9014 7.4764 109.4970 60.1542 70.7313 173.5791 19 N 4.9993 8.2278 120.4535 50.4265 39.9354 175.2820 20 L 3.9994 8.3953 117.4300 58.7471 40.3883 178.6897 21 V 3.5949 7.6547 118.5369 64.5901 31.4548 176.7301 22 G 4.0611 8.2963 106.4035 44.6640 0.0000 172.1307 23 N 5.2363 7.7944 116.7888 50.5876 41.1085 173.3266 24 V 4.3855 8.1914 119.3481 62.7099 32.3336 175.5491 25 Y 4.3417 8.9920 130.3219 57.7939 39.4030 176.2232 26 Y 3.9096 8.3709 124.6460 60.2494 38.1905 178.6394 27 V 3.0538 5.6369 118.9406 65.8562 31.1491 177.5046 28 N 3.7811 7.7069 115.5917 56.2082 37.9113 176.9195 29 Y 3.8953 7.7001 117.4937 60.9546 38.1073 178.2040 30 L 4.1641 7.8489 119.4511 57.4205 41.7798 179.4968 31 R 3.8011 7.5493 118.1915 59.1382 29.9664 179.1433 32 W 4.4101 8.0720 118.5135 59.5853 28.8546 178.6918 33 Q 3.3281 7.7947 118.4594 58.5508 27.9520 178.8152 34 G 3.5143 7.8120 106.3392 47.5608 0.0000 175.6294 35 R 3.7381 8.0063 121.1519 59.1693 30.0663 178.1727 36 C 3.9313 7.9514 118.9793 62.4993 31.7810 175.7821 37 R 4.1212 8.3454 118.1272 59.2206 28.9089 178.4647 38 E 4.1285 8.5391 118.4019 59.1952 29.8455 178.8577 39 M 4.1637 8.3381 119.7031 57.7441 31.9859 178.4688 40 F 3.0299 8.0531 121.2476 60.8110 39.4453 177.1279 41 L 3.5668 7.6114 118.2101 57.7675 41.1857 178.7782 42 Y 4.0369 7.9524 118.5151 60.8953 38.7866 177.8288 43 E 3.8427 8.0515 118.0326 58.7040 29.7907 177.9264 44 H 4.5459 7.8026 113.8679 55.6126 31.0830 175.3925 45 A 4.7704 8.1136 124.3880 48.7927 19.7139 175.6792 46 P 4.2170 0.0000 0.0000 65.9673 31.3792 177.3105 47 E 4.1605 8.0172 115.7801 58.1644 29.4154 178.5841 48 I 3.8944 7.9356 121.6006 63.8628 37.0693 177.7394 49 L 3.9450 7.8071 121.6409 58.3781 41.6556 178.6705 50 D 4.4136 7.6949 118.1813 57.4992 40.6076 178.7524 51 E 4.1242 7.9994 118.6261 59.2054 29.4319 178.9632 52 L 4.8650 7.9283 119.4432 56.7230 41.7428 178.9395 53 R 4.2361 7.8968 116.7880 55.9402 30.4942 177.6828 54 A 4.0375 7.8085 118.6150 53.1798 18.2087 176.7833 55 D 4.8646 9.0708 125.8691 52.7624 44.8172 175.0853 56 L 4.7676 8.3146 121.8313 55.4702 43.5585 175.6486 57 K 4.9387 9.3698 125.0715 54.7178 36.2908 175.3815 58 L 4.8434 8.7288 125.0203 53.4298 42.3848 175.4902 59 F 4.4783 9.2653 128.5012 57.1890 40.7513 174.7875 60 T 4.5129 8.0410 123.7878 63.4530 68.1188 174.7068 61 L 4.5806 9.2523 128.2032 57.0521 42.7523 177.5299 62 K 4.6286 7.7474 117.3259 55.2973 35.6318 174.2232 63 A 5.2870 8.5659 127.7847 50.3286 22.0941 174.9268 64 E 4.7996 9.2856 119.2641 55.3475 33.6675 173.7871 65 C 4.9884 8.3501 119.6444 58.1747 34.9386 172.6297 66 E 4.4969 8.7332 124.9691 54.3531 32.4100 174.7171 67 F 4.5803 8.5503 122.0280 55.7430 40.4351 175.3221 68 F 5.1641 8.7666 121.3878 57.9702 41.2699 174.8238 69 A 4.6413 7.8549 118.8118 51.3745 21.9140 174.2165 70 E 4.9568 8.5884 116.6945 54.9671 32.2974 176.0263 71 L 5.0827 8.6292 120.8816 53.0743 45.2875 175.6050 72 A 5.0326 9.7845 125.2321 49.0768 22.3896 174.2849 73 P 4.0990 0.0000 0.0000 64.1103 31.6227 177.4823 74 F 4.2433 9.1292 119.2934 57.7978 37.6741 175.3081 75 D 4.6017 7.8989 121.4755 54.3930 42.2712 175.4541 76 R 4.5895 8.4573 120.7212 54.8579 31.9202 174.9936 77 L 5.0663 8.7658 126.5300 53.1010 45.1012 174.8487 78 A 4.8067 8.7870 126.2177 50.1189 22.1688 174.9270 79 V 4.4669 9.0920 123.7729 61.4627 33.6557 174.6091 80 R 5.0749 8.9439 128.2911 54.7955 32.1320 174.9731 81 M 5.4345 9.2445 124.2979 53.1657 35.0249 174.7501 82 R 5.0589 7.8619 122.1587 54.3280 35.4237 173.9286 83 L 4.1904 8.8786 125.1141 54.6831 42.2417 177.3527 84 V 3.6309 8.4743 120.8785 62.8327 32.8426 176.4169 85 E 4.6586 7.6228 119.9182 54.8527 33.1790 173.9736 86 L 4.9163 8.4118 127.5256 53.7159 44.4984 175.2050 87 T 4.7079 8.1476 119.5834 60.3860 71.4511 173.9865 88 Q 4.1476 8.7596 118.5762 59.2800 29.0464 177.3492 89 T 4.8049 7.8716 104.1195 61.1237 70.7525 173.3628 90 Q 5.2487 8.3851 120.9642 54.6731 33.4872 174.1208 91 M 5.1597 9.0193 119.4432 53.6411 36.7275 173.9220 92 E 5.0439 9.0924 123.6698 54.3825 32.4956 174.3928 93 L 4.8465 9.2358 127.0843 52.8088 44.8061 175.5216 94 G 4.3132 8.5308 110.2787 44.3930 0.0000 172.1997 95 F 5.4542 9.3344 122.2843 55.5066 42.7064 173.6253 96 D 5.3571 9.1452 123.7059 52.7509 43.7311 174.5822 97 Y 5.2141 9.3618 121.5744 56.4356 40.1644 174.7970 98 L 5.3470 9.0556 124.2715 52.8598 46.0384 175.5306 99 R 4.6720 9.1324 124.0595 55.2782 31.3941 175.1860 100 L 4.6804 9.0229 128.0641 54.6876 42.2379 177.0598 101 G 3.9675 8.3114 112.3567 45.3764 0.0000 172.7099 102 G 3.6734 9.0831 108.5619 48.3426 0.0000 173.3374 103 D 4.7632 7.7344 122.0763 51.5804 41.8577 175.9532 104 D 4.6278 8.7168 125.1512 54.5918 41.5721 175.6423 105 L 4.5779 8.6016 126.6859 53.2596 44.0391 175.0590 106 L 4.7714 8.6771 128.9352 55.4394 42.2103 176.4788 107 V 4.4959 9.0550 119.9182 61.9897 33.6769 175.3962 108 A 3.6417 7.5686 119.9946 51.1485 22.3864 175.1687 109 R 5.2499 7.9594 117.5381 54.7016 34.6670 175.0915 110 G 4.7428 9.9266 109.7876 44.9767 0.0000 170.9669 111 R 5.4787 8.8819 118.2427 55.3849 34.0676 173.6797 112 Q 5.2027 9.4791 123.1755 54.2266 33.8597 173.8426 113 R 5.0311 9.0855 122.5498 54.6775 32.8872 174.4049 114 I 5.2162 9.1976 126.6316 59.4422 41.1315 174.1619 115 A 5.1790 9.5515 127.9334 50.3718 22.0356 175.0151 116 C 5.0041 8.7447 119.8719 59.3883 29.9963 172.9435 117 M 5.3726 9.0114 121.5127 54.1197 36.9704 174.1661 118 R 5.7947 9.0585 118.7008 53.4475 34.7950 174.7734 119 G 4.5254 9.7421 110.5378 42.1579 0.0000 171.0502 120 P 4.0460 0.0000 0.0000 62.5893 31.3391 174.2006 121 N 4.3222 8.8068 122.3812 56.4979 36.3621 173.5402 122 G 4.0166 8.5383 113.2031 45.7939 0.0000 172.6900 123 R 4.6574 9.6149 117.7297 54.6959 30.1192 175.1281 124 T 4.6723 7.5285 108.1359 59.9473 71.3889 174.5808 125 E 4.8711 8.5285 122.2807 53.5930 32.4894 173.6002 126 P 4.9060 0.0000 0.0000 63.1883 32.1731 175.7408 127 V 4.6437 8.2694 114.3715 59.2900 35.5900 175.7486 128 R 4.3069 8.5520 121.4751 55.9245 30.7992 176.8561 129 V 3.6167 8.1385 122.6673 62.9360 32.0865 174.2373 130 P 4.2500 0.0000 0.0000 63.0437 32.1374 176.7418 131 A 4.1156 9.0575 124.7611 55.5336 18.2807 180.1695 132 G 3.5962 8.1103 103.5172 47.8138 0.0000 175.5410 133 L 4.0312 7.8727 122.1380 57.9075 42.0743 178.8493 134 V 3.7771 7.8888 117.2025 66.3107 31.7920 177.9210 135 R 4.1097 8.3035 117.4557 59.2529 29.6998 178.8539 136 A 4.0823 7.9779 119.4758 55.2569 18.5798 179.3163 137 F 4.6927 8.8693 115.3878 59.6841 39.0728 177.6432 138 A 4.0313 7.9047 120.9595 54.9257 18.3303 177.8241 139 P 4.1252 0.0000 0.0000 64.7228 31.6822 177.5130 140 F 5.3385 8.2400 117.1350 56.3625 39.2567 174.7273 141 R 4.4789 7.8822 122.5961 55.9304 30.2568 175.7314 142 S 4.5740 9.1366 121.0995 57.1789 63.4408 173.6550 143 A 4.4190 8.5303 129.2668 53.2190 19.5995 177.3370 144 T 4.2234 7.9774 105.0398 63.7417 70.6554 175.0761 *145 V 3.9054 7.6810 122.7490 60.1987 32.3498 176.9372 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 8.29 4.42 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 S 7.92 4.33 0.00 4.02 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 3 M 8.54 4.07 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 4 P 0.00 4.18 0.00 2.11 2.24 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 5 R 8.34 4.69 0.00 1.60 1.69 0.00 2.88 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 6 Y 7.66 5.42 0.00 3.06 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 7 Y 9.06 4.53 0.00 2.05 2.60 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 8 E 8.12 5.05 0.00 2.22 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 2.11 2.25 0.00 9 Y 9.03 4.72 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 10 R 8.11 4.73 0.00 1.50 1.57 0.00 3.14 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 11 H 8.44 4.50 0.00 2.33 2.32 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.83 4.39 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 0.75 0.00 0.00 0.79 0.00 0.00 13 V 8.57 3.88 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 0.97 0.00 0.00 0.93 0.00 0.00 14 G 9.37 4.26 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 0.00 0.00 0.00 15 F 8.80 4.09 0.00 3.18 3.09 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 16 E 8.34 4.05 0.00 2.00 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 2.32 2.35 0.00 17 E 8.00 4.23 0.00 2.41 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 2.58 2.39 0.00 18 T 7.48 4.90 4.26 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 1.18 0.00 0.00 19 N 8.23 5.00 0.00 2.94 2.94 0.00 0.00 6.96 6.69 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 20 L 8.40 4.00 0.00 1.75 1.85 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.65 3.59 2.36 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 0.78 0.00 0.00 0.96 0.00 0.00 22 G 8.30 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 23 N 7.79 5.24 0.00 3.00 3.00 0.00 0.00 5.89 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 24 V 8.19 4.39 2.33 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 0.74 0.00 0.00 1.16 0.00 0.00 25 Y 8.99 4.34 0.00 2.96 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 26 Y 8.37 3.91 0.00 2.19 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 27 V 5.64 3.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 -0.01 0.00 0.00 28 N 7.71 3.78 0.00 2.19 1.55 0.00 0.00 7.00 7.30 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 29 Y 7.70 3.90 0.00 3.09 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 30 L 7.85 4.16 0.00 1.82 1.68 1.09 1.00 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 31 R 7.55 3.80 0.00 1.60 1.82 0.00 2.98 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 32 W 8.07 4.41 0.00 3.71 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 33 Q 7.79 3.33 0.00 1.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.52 2.46 0.00 34 G 7.81 3.51 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 0.00 0.00 0.00 35 R 8.01 3.74 0.00 1.85 1.69 0.00 3.20 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.99 0.00 36 C 7.95 3.93 0.00 3.00 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 37 R 8.35 4.12 0.00 2.27 2.54 0.00 2.96 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 38 E 8.54 4.13 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 39 M 8.34 4.16 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.83 0.00 40 F 8.05 3.03 0.00 2.07 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 41 L 7.61 3.57 0.00 1.95 1.65 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.95 4.04 0.00 2.88 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.05 3.84 0.00 1.79 1.80 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 2.48 2.81 0.00 44 H 7.80 4.55 0.00 1.96 2.94 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.11 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.22 0.00 2.15 2.27 0.00 3.53 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 1.95 1.82 0.00 47 E 8.02 4.16 0.00 2.16 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 2.33 2.32 0.00 48 I 7.94 3.89 1.87 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 1.66 0.90 0.94 0.00 0.00 49 L 7.81 3.94 0.00 1.81 1.80 0.94 1.17 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 50 D 7.69 4.41 0.00 2.98 2.71 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 51 E 8.00 4.12 0.00 2.19 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 2.41 2.57 0.00 52 L 7.93 4.86 0.00 1.77 1.76 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.90 4.24 0.00 2.03 1.99 0.00 3.29 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 54 A 7.81 4.04 1.26 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 0.00 0.00 55 D 9.07 4.86 0.00 2.74 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 56 L 8.31 4.77 0.00 1.83 1.59 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.37 4.94 0.00 1.88 1.74 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 58 L 8.73 4.84 0.00 1.58 1.72 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.27 4.48 0.00 3.10 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 60 T 8.04 4.51 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 61 L 9.25 4.58 0.00 1.69 1.83 0.98 1.00 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 62 K 7.75 4.63 0.00 1.84 1.63 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.45 7.81 63 A 8.57 5.29 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 64 E 9.29 4.80 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 2.43 2.28 0.00 65 C 8.35 4.99 0.00 2.77 2.37 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 66 E 8.73 4.50 0.00 1.73 1.71 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 2.17 2.19 0.00 67 F 8.55 4.58 0.00 2.56 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 68 F 8.77 5.16 0.00 2.92 2.98 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 69 A 7.85 4.64 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 8.59 4.96 0.00 1.91 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 2.26 2.35 0.00 71 L 8.63 5.08 0.00 1.77 1.64 1.04 1.00 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 72 A 9.78 5.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.10 0.00 1.21 0.77 0.00 3.61 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 1.72 1.83 0.00 74 F 9.13 4.24 0.00 3.03 3.08 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 75 D 7.90 4.60 0.00 2.74 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 76 R 8.46 4.59 0.00 1.70 1.75 0.00 3.01 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 77 L 8.77 5.07 0.00 1.41 1.25 0.98 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.79 4.81 1.12 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 79 V 9.09 4.47 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 0.78 0.00 0.00 0.93 0.00 0.00 80 R 8.94 5.07 0.00 1.49 1.40 0.00 2.63 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.31 0.00 81 M 9.24 5.43 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.02 0.00 82 R 7.86 5.06 0.00 1.69 1.74 0.00 3.20 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 83 L 8.88 4.19 0.00 1.36 1.48 0.42 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.47 3.63 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 0.63 0.00 0.00 0.94 0.00 0.00 85 E 7.62 4.66 0.00 1.96 1.67 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 0.00 2.25 2.28 0.00 86 L 8.41 4.92 0.00 1.48 1.46 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.15 4.71 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 1.20 0.00 0.00 88 Q 8.76 4.15 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 89 T 7.87 4.80 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 90 Q 8.39 5.25 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 91 M 9.02 5.16 0.00 1.61 1.78 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 92 E 9.09 5.04 0.00 1.95 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 2.15 2.36 0.00 93 L 9.24 4.85 0.00 1.40 0.93 1.04 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.53 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 0.00 0.00 0.00 0.00 95 F 9.33 5.45 0.00 2.91 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 9.15 5.36 0.00 2.51 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.36 5.21 0.00 3.06 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 98 L 9.06 5.35 0.00 1.56 1.52 0.91 0.51 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 99 R 9.13 4.67 0.00 1.90 1.84 0.00 3.11 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 100 L 9.02 4.68 0.00 1.48 1.56 0.85 0.86 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 0.00 101 G 8.31 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 0.00 102 G 9.08 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.73 4.76 0.00 2.67 2.63 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 0.00 104 D 8.72 4.63 0.00 2.57 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 0.00 105 L 8.60 4.58 0.00 1.82 1.58 0.97 0.47 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 0.00 106 L 8.68 4.77 0.00 1.76 1.68 1.17 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.06 4.50 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 0.81 0.00 0.00 1.26 0.00 0.00 108 A 7.57 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.96 5.25 0.00 1.92 1.93 0.00 3.29 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 110 G 9.93 4.74 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 0.00 111 R 8.88 5.48 0.00 1.96 1.79 0.00 3.22 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 112 Q 9.48 5.20 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 113 R 9.09 5.03 0.00 1.91 1.79 0.00 3.08 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 114 I 9.20 5.22 1.92 0.00 0.00 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 1.22 0.70 1.03 0.00 0.00 115 A 9.55 5.18 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 0.00 116 C 8.74 5.00 0.00 3.13 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 0.00 117 M 9.01 5.37 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 118 R 9.06 5.79 0.00 1.72 1.75 0.00 3.16 0.00 0.00 3.28 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 119 G 9.74 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 2.19 2.04 0.00 3.95 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 2.12 2.10 0.00 121 N 8.81 4.32 0.00 2.83 2.96 0.00 0.00 6.45 7.00 0.00 0.00 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 G 8.54 4.02 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 0.00 123 R 9.61 4.66 0.00 1.86 1.85 0.00 3.31 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 124 T 7.53 4.67 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 1.28 0.00 0.00 125 E 8.53 4.87 0.00 2.02 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 2.36 2.21 0.00 126 P 0.00 4.91 0.00 2.08 2.05 0.00 3.68 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 1.97 1.97 0.00 127 V 8.27 4.64 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 0.77 0.00 0.00 0.99 0.00 0.00 128 R 8.55 4.31 0.00 1.71 1.88 0.00 3.24 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 129 V 8.14 3.62 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 0.81 0.00 0.00 1.00 0.00 0.00 130 P 0.00 4.25 0.00 2.27 2.02 0.00 3.74 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 2.14 0.00 131 A 9.06 4.12 1.34 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 0.00 132 G 8.11 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 0.00 0.00 0.00 133 L 7.87 4.03 0.00 1.86 1.98 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.89 3.78 2.29 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 0.95 0.00 0.00 1.06 0.00 0.00 135 R 8.30 4.11 0.00 2.07 1.99 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 136 A 7.98 4.08 1.34 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 0.00 137 F 8.87 4.69 0.00 3.41 3.07 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 0.00 138 A 7.90 4.03 1.46 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 0.00 0.00 139 P 0.00 4.13 0.00 1.50 2.05 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.75 0.00 140 F 8.24 5.34 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.88 4.48 0.00 1.88 1.94 0.00 3.24 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 142 S 9.14 4.57 0.00 3.84 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 A 8.53 4.42 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 0.00 144 T 7.98 4.22 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 *145 V 7.68 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.