NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 P 4.3819 0.0000 0.0000 62.2041 31.4476 174.6230 23 F 3.8929 8.1408 125.5628 57.5419 40.2424 173.5689 24 R 4.0825 8.8815 126.6259 54.1158 35.0745 175.7482 25 F 4.9904 7.8663 124.5578 57.7860 39.0907 175.1392 26 S 4.8128 8.4919 120.1020 56.9406 66.2476 172.9810 27 P 4.5328 0.0000 0.0000 64.0132 31.3083 175.7249 28 E 4.8041 7.1728 113.8312 54.9479 32.3194 173.8226 29 P 4.6163 0.0000 0.0000 62.2248 32.3305 177.1166 30 T 4.1895 8.2132 117.7916 63.0966 70.6092 175.7698 31 L 4.0552 8.4120 121.8455 57.2207 41.3221 179.1950 32 E 4.0687 7.9308 118.3891 59.2722 30.3622 176.8731 33 D 4.3153 8.1367 117.9668 57.3210 40.8703 178.3945 34 I 3.7141 8.1842 119.5808 64.9585 37.4788 178.1203 35 R 3.8928 7.7394 119.0292 59.7884 29.8530 178.7342 36 R 3.9154 8.7184 118.1081 59.3467 30.2793 178.7088 37 L 3.9871 8.0382 118.2761 58.1883 41.4886 179.0947 38 H 4.1675 8.1871 117.2943 59.0011 29.7479 177.1223 39 A 4.0626 7.8155 121.3380 55.0321 18.3883 179.0457 40 E 4.0589 8.1477 117.3971 59.5032 29.6587 178.8363 41 F 4.1084 7.9953 118.5321 60.4281 39.1614 175.9028 42 A 4.3265 8.1040 118.8232 52.2833 19.0282 178.9270 43 A 4.1580 7.8481 120.5357 55.5359 18.5061 179.0273 44 E 4.2163 8.1112 111.9921 57.8199 30.2798 177.3596 45 R 4.7138 6.9106 118.3936 54.9389 31.8961 176.1343 46 D 4.4791 8.6543 121.5719 55.7843 41.0224 177.0479 47 W 4.4675 8.9228 135.0000 58.9522 30.9810 176.7224 48 E 3.5894 8.6631 119.8370 59.3038 28.9423 179.2763 49 Q 3.7664 7.3573 118.0618 58.3199 29.0790 177.0855 50 F 4.7982 8.6026 116.1908 58.4113 39.3690 176.7604 51 H 4.3369 7.5465 118.6680 56.0919 29.7986 174.1943 52 Q 3.6900 7.7397 119.6758 55.7271 28.6916 176.4311 53 P 4.1015 0.0000 0.0000 66.2798 31.4471 178.4624 54 R 3.9453 7.9424 115.9002 58.7597 29.9865 178.8158 55 N 4.2793 8.2060 117.2650 56.1589 38.4941 177.3468 56 L 3.8476 8.1205 120.8199 57.4979 41.6582 179.2843 57 L 3.8913 7.7347 119.8028 58.2477 42.1051 178.9443 58 L 3.9320 7.8649 118.5785 57.4963 41.4456 179.3461 59 A 3.8206 7.4733 120.6678 54.4873 18.1698 179.5065 60 L 3.9015 7.7110 119.1583 58.2475 42.3716 179.1993 61 V 3.6629 8.0535 118.6855 65.9711 31.3633 177.8883 62 G 3.7235 8.2788 105.7166 48.1107 0.0000 175.0404 63 E 3.9667 8.1756 122.2767 58.9047 29.5104 179.0581 64 V 3.7815 8.0030 118.4260 65.8656 31.5186 178.3009 65 G 3.3764 7.9968 105.2501 47.3823 0.0000 175.4985 66 E 4.7821 8.0842 121.7710 59.4268 29.8807 178.5467 67 L 4.8587 9.1976 122.2317 57.1544 42.0036 178.3807 68 A 4.3401 9.2870 121.8435 55.6996 18.5316 179.5015 69 E 4.7796 8.2635 118.1248 58.6752 29.1460 179.6073 70 L 3.8004 8.1247 118.7824 57.7422 42.3181 179.0184 71 F 4.5271 8.1534 117.4150 60.2307 38.7912 177.2433 72 Q 3.8023 8.3264 117.4856 58.9287 27.9598 179.0762 73 W 4.8852 7.6078 115.1904 56.6750 29.8111 176.4641 74 K 4.3568 7.9052 118.4932 56.5587 31.5236 177.1186 75 S 4.5819 10.3275 122.0846 57.9618 63.7252 175.5406 76 D 4.4128 8.7277 123.0484 57.8914 40.9101 178.2217 77 T 3.9651 8.0617 114.8587 66.3972 68.5410 174.2310 78 E 4.3417 7.4784 117.7965 54.5419 30.7471 174.3172 79 P 4.3200 0.0000 0.0000 63.2594 31.8416 176.1531 80 G 4.1529 8.2864 109.0535 43.0474 0.0000 172.9909 81 P 2.0000 0.0000 0.0000 64.9105 31.3010 178.8339 82 Q 3.7702 7.8906 114.8154 58.8625 28.5791 177.7950 83 A 4.2269 8.1540 118.4178 52.4890 19.0225 177.0473 84 W 4.3725 7.8621 116.0086 56.4165 29.2799 174.5601 85 P 4.5925 0.0000 0.0000 61.4670 32.1187 174.8538 86 P 3.5928 0.0000 0.0000 65.4321 30.9845 177.6849 87 K 3.8835 8.6381 124.9269 59.2115 32.7192 178.0325 88 E 3.7278 8.1927 119.6751 59.0466 29.8458 178.7874 89 R 4.0418 7.9526 117.2157 59.1974 30.0983 178.7054 90 A 3.9240 8.0537 120.4246 55.0890 18.3528 179.2296 91 A 4.7339 7.4109 120.4101 54.5931 18.2382 179.5384 92 L 3.9383 8.0793 118.5719 58.6495 42.1519 178.7081 93 Q 4.0079 8.5093 118.0514 59.5339 28.7179 179.0359 94 E 3.6898 8.4829 119.1128 59.4528 29.5313 179.3874 95 E 4.5400 8.3343 120.7746 58.9791 29.8398 178.7469 96 L 4.0497 9.6014 118.8854 57.9669 41.5864 179.8504 97 S 4.0393 8.7906 115.8407 61.8129 62.8147 176.5636 98 D 4.1372 8.9686 122.6979 57.1373 40.4617 179.0951 99 V 3.7075 7.9898 119.0222 65.6973 31.3540 177.8188 100 L 3.8802 7.9225 120.0653 58.2569 41.8947 178.7520 101 I 3.6866 7.7294 119.9188 64.8897 36.9849 178.1364 102 Y 3.7712 7.4407 116.6324 60.6944 37.6722 178.1120 103 L 4.0089 7.9574 121.5564 57.9038 42.1191 179.3065 104 V 3.6418 8.8536 113.4950 64.1105 31.4786 178.2794 105 A 3.9647 8.8761 121.7698 55.0506 18.2784 179.0221 106 L 3.8831 8.5853 118.8040 58.5734 42.0162 179.1062 107 A 4.0010 7.9978 119.9424 55.1164 18.3216 179.2624 108 A 3.9462 7.7229 119.0327 55.5495 18.3209 179.8927 109 R 4.0411 8.0288 114.9520 58.6096 30.1642 177.2799 110 C 4.5946 7.4659 113.8261 59.0713 28.6962 173.1230 111 H 4.0867 7.9376 118.9508 56.8717 28.3784 173.9366 112 V 4.2279 7.8761 117.1744 60.7555 32.4872 175.8314 113 D 4.5720 8.3943 127.1662 52.6212 39.2752 176.0214 114 L 3.8846 7.8088 123.2523 57.0680 41.0543 176.6591 115 P 4.1653 0.0000 0.0000 66.5747 31.5141 178.2012 116 Q 3.9081 8.1908 115.8532 57.7900 29.0648 177.8293 117 A 4.5106 8.3928 122.0208 53.7952 20.2690 178.7519 118 V 3.3985 7.0722 115.8768 67.0021 31.4333 176.9996 119 I 3.7986 7.9899 118.6264 63.3205 37.3343 177.6529 120 S 3.9641 7.4970 117.0873 62.0390 63.7563 175.6942 121 K 4.1250 8.7566 123.0061 57.0584 30.1777 176.6901 *123 D 4.5645 8.0146 123.0789 54.5372 43.4083 178.1431 124 T 3.8514 7.6589 115.5859 67.1288 68.4525 176.3123 125 N 4.3369 8.1175 117.4370 56.2617 38.5907 177.3897 126 R 4.1811 8.0908 117.3779 58.1951 30.1975 177.6533 127 Q 4.4903 7.4323 116.4239 56.7794 30.7648 176.7393 128 R 3.6526 8.5624 119.6635 58.1542 30.1274 176.0716 129 Y 4.5868 7.5689 114.8143 56.3962 40.0521 173.1189 130 P 4.4438 0.0000 0.0000 62.8447 31.3879 176.7499 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 22 P 0.00 4.38 0.00 2.17 2.17 0.00 3.78 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 1.87 1.95 0.00 23 F 8.14 3.89 0.00 3.04 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 24 R 8.88 4.08 0.00 1.65 1.56 0.00 3.22 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 25 F 7.87 4.99 0.00 2.74 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 26 S 8.49 4.81 0.00 3.76 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 27 P 0.00 4.53 0.00 2.17 2.16 0.00 3.80 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 1.98 1.94 0.00 28 E 7.17 4.80 0.00 2.07 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 2.11 2.13 0.00 29 P 0.00 4.62 0.00 2.17 2.06 0.00 3.34 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 30 T 8.21 4.19 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 1.24 0.00 0.00 31 L 8.41 4.06 0.00 1.69 1.72 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.93 4.07 0.00 1.94 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 2.26 2.45 0.00 33 D 8.14 4.32 0.00 3.07 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 34 I 8.18 3.71 1.82 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 1.33 1.09 0.82 0.00 0.00 35 R 7.74 3.89 0.00 2.10 2.19 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 36 R 8.72 3.92 0.00 2.07 1.97 0.00 3.48 0.00 0.00 3.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 37 L 8.04 3.99 0.00 1.64 1.68 0.89 0.98 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 38 H 8.19 4.17 0.00 3.17 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.82 4.06 1.44 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 40 E 8.15 4.06 0.00 2.09 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 0.00 2.33 2.49 0.00 41 F 8.00 4.11 0.00 3.11 3.13 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 42 A 8.10 4.33 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 43 A 7.85 4.16 1.44 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 44 E 8.11 4.22 0.00 1.89 1.98 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 2.62 2.27 0.00 45 R 6.91 4.71 0.00 1.79 1.84 0.00 2.21 0.00 0.00 2.62 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.00 46 D 8.65 4.48 0.00 2.63 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 47 W 8.92 4.47 0.00 3.61 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 48 E 8.66 3.59 0.00 2.38 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 2.44 2.41 0.00 49 Q 7.36 3.77 0.00 2.11 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 1.71 2.06 0.00 50 F 8.60 4.80 0.00 3.07 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 51 H 7.55 4.34 0.00 1.82 3.21 0.00 5.99 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 52 Q 7.74 3.69 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.40 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 53 P 0.00 4.10 0.00 2.11 2.07 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 54 R 7.94 3.95 0.00 1.81 1.95 0.00 3.10 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 55 N 8.21 4.28 0.00 3.02 2.83 0.00 0.00 6.85 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 56 L 8.12 3.85 0.00 1.84 1.79 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.73 3.89 0.00 1.73 1.62 0.91 0.64 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 58 L 7.86 3.93 0.00 1.76 1.63 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.47 3.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.71 3.90 0.00 1.86 1.92 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.05 3.66 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 0.94 0.00 0.00 1.00 0.00 0.00 62 G 8.28 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 63 E 8.18 3.97 0.00 2.35 2.20 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 2.49 2.44 0.00 64 V 8.00 3.78 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 0.97 0.00 0.00 0.99 0.00 0.00 65 G 8.00 3.38 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 0.00 66 E 8.08 4.78 0.00 2.15 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 2.61 2.37 0.00 67 L 9.20 4.86 0.00 1.92 1.86 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.29 4.34 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 69 E 8.26 4.78 0.00 2.18 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 2.25 2.30 0.00 70 L 8.12 3.80 0.00 1.27 1.17 0.66 0.66 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 71 F 8.15 4.53 0.00 3.15 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 72 Q 8.33 3.80 0.00 1.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.71 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 73 W 7.61 4.89 0.00 3.26 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 74 K 7.91 4.36 0.00 2.22 2.05 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.51 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.78 1.78 7.81 75 S 10.33 4.58 0.00 3.84 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 76 D 8.73 4.41 0.00 2.68 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 77 T 8.06 3.97 4.28 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 1.24 0.00 0.00 78 E 7.48 4.34 0.00 2.26 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 2.62 2.40 0.00 79 P 0.00 4.32 0.00 2.20 2.16 0.00 3.71 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 2.08 2.16 0.00 80 G 8.29 4.15 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 0.00 0.00 0.00 81 P 0.00 2.00 0.00 1.73 1.25 0.00 3.37 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.40 0.00 82 Q 7.89 3.77 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 83 A 8.15 4.23 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 84 W 7.86 4.37 0.00 3.46 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 85 P 0.00 4.59 0.00 2.20 2.21 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 86 P 0.00 3.59 0.00 2.19 1.91 0.00 3.61 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 2.11 2.17 0.00 87 K 8.64 3.88 0.00 1.78 1.81 0.00 1.52 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.59 7.81 88 E 8.19 3.73 0.00 2.09 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 1.96 2.15 0.00 89 R 7.95 4.04 0.00 1.89 2.15 0.00 3.37 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.05 0.00 90 A 8.05 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.41 4.73 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 92 L 8.08 3.94 0.00 2.00 2.04 1.13 0.87 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 93 Q 8.51 4.01 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 94 E 8.48 3.69 0.00 2.11 1.98 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 2.30 2.36 0.00 95 E 8.33 4.54 0.00 2.28 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 2.39 2.49 0.00 96 L 9.60 4.05 0.00 1.87 1.72 0.98 0.99 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 97 S 8.79 4.04 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.97 4.14 0.00 2.80 2.86 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 99 V 7.99 3.71 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.06 0.00 0.00 100 L 7.92 3.88 0.00 1.86 1.76 0.92 0.86 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 0.00 101 I 7.73 3.69 1.39 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.34 0.00 0.00 102 Y 7.44 3.77 0.00 3.04 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 0.00 103 L 7.96 4.01 0.00 1.82 1.95 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.85 3.64 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 1.04 0.00 0.00 0.99 0.00 0.00 105 A 8.88 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 0.00 106 L 8.59 3.88 0.00 1.86 1.80 0.93 1.41 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 0.00 107 A 8.00 4.00 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 0.00 108 A 7.72 3.95 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 0.00 109 R 8.03 4.04 0.00 1.82 2.15 0.00 3.29 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 110 C 7.47 4.59 0.00 3.12 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 0.00 111 H 7.94 4.09 0.00 3.30 3.40 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.88 4.23 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 0.82 0.00 0.00 0.96 0.00 0.00 113 D 8.39 4.57 0.00 2.67 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 0.00 114 L 7.81 3.88 0.00 1.78 1.63 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.17 0.00 2.15 2.10 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 116 Q 8.19 3.91 0.00 2.63 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 117 A 8.39 4.51 1.40 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 0.00 0.00 118 V 7.07 3.40 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 0.88 0.00 0.00 1.02 0.00 0.00 119 I 7.99 3.80 1.88 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 1.42 0.52 0.91 0.00 0.00 120 S 7.50 3.96 0.00 3.98 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 0.00 121 K 8.76 4.12 0.00 1.80 1.75 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 *123 D 8.01 4.56 0.00 2.85 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 0.00 124 T 7.66 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 125 N 8.12 4.34 0.00 2.84 3.13 0.00 0.00 7.08 7.66 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 0.00 126 R 8.09 4.18 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 127 Q 7.43 4.49 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.59 0.00 128 R 8.56 3.65 0.00 1.54 1.06 0.00 3.07 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.23 0.00 129 Y 7.57 4.59 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.06 1.99 0.00 3.77 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 2.04 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.