NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.8291 8.1827 115.7963 56.3991 39.8341 176.7309 13 V 3.4523 8.0334 123.2148 66.6888 31.1397 175.5725 14 A 3.9955 8.7420 121.3679 55.2491 18.5812 178.8024 15 E 3.9690 8.1949 115.4723 59.5972 29.8524 179.2039 16 L 4.1649 8.2065 119.0522 57.7577 41.6058 178.9722 17 N 4.5490 8.4806 116.9036 56.3550 38.6145 175.8072 18 N 4.7688 7.7497 115.5378 54.1915 38.9143 175.2885 19 L 4.6108 7.9447 120.9286 54.1037 42.1268 176.0621 20 L 4.2776 7.2328 118.5973 56.6237 41.7405 177.9163 21 G 3.9904 9.1489 112.5398 45.0919 0.0000 173.4160 22 R 4.6015 7.9773 119.1047 54.5837 32.6600 175.2262 23 E 4.6805 8.6176 122.6319 56.3395 30.4949 176.0691 24 V 4.7558 9.0371 119.3188 59.6546 36.7670 173.8981 25 Q 5.1376 8.8651 122.6249 54.3765 32.0055 174.2573 26 V 4.7787 9.2046 125.7291 61.1559 34.5556 174.0606 27 V 4.5651 8.4322 128.4443 61.6503 33.0310 174.6946 28 L 5.3827 8.8328 128.4144 53.1112 43.7679 177.9503 29 S 4.3221 9.3279 116.7386 60.2984 63.1438 174.6260 30 N 4.6519 8.2612 117.8954 52.8700 37.3093 175.9736 31 G 3.9882 8.3035 108.0811 45.3924 0.0000 173.9581 32 E 4.3167 8.3557 119.6088 56.0451 31.4079 176.0526 33 V 4.7587 8.0103 121.1253 61.5512 34.8817 173.4509 34 Y 4.9968 9.0539 125.9827 56.0051 40.6986 174.6869 35 K 4.9665 8.7987 125.1918 54.5443 35.5596 175.4540 36 G 4.3005 8.1849 112.2648 46.1427 0.0000 171.7449 37 V 4.3643 7.7552 120.1929 62.2230 32.9091 175.4320 38 L 4.1920 9.0127 130.5948 55.9369 42.1183 176.2724 39 H 4.6030 8.9612 127.1572 57.9072 31.2814 174.8806 40 A 4.6563 7.5493 116.5507 51.0704 22.3288 175.4796 41 V 5.0568 8.3500 119.1524 61.3826 35.2011 173.8540 42 D 5.1084 8.3597 125.6396 51.0394 42.1625 176.4263 43 N 4.2537 8.6600 115.4320 56.2475 38.4121 176.2555 44 Q 3.8836 8.0110 114.3632 55.3998 29.1572 175.6222 45 L 3.7606 7.8686 117.0222 55.6691 39.5165 174.3991 46 N 4.9263 8.9368 116.1705 53.5556 39.8989 174.4194 47 I 4.8986 8.7667 122.0986 59.5697 41.6171 174.3824 48 V 4.6388 8.5930 125.7652 61.1054 33.8790 174.2183 49 L 5.2143 8.9103 127.4606 52.9408 44.7479 175.1133 50 A 4.7946 9.3404 125.0392 50.6627 21.5263 176.4645 51 N 4.0898 8.7936 118.4819 54.2778 36.7883 173.3750 52 A 5.1235 7.9915 120.3716 51.0273 22.3658 177.5837 53 S 5.6818 9.3383 112.4880 56.8532 67.1285 173.0671 54 N 5.6208 8.2566 117.9637 49.9530 39.9583 175.3528 55 K 3.7982 8.4514 116.9263 59.4315 32.0908 178.2248 56 A 4.0588 7.9430 119.1126 52.5725 18.3603 178.0130 57 G 3.8975 8.2757 104.4103 45.4420 0.0000 173.8567 58 E 4.1922 8.1407 119.3674 55.7960 30.7764 175.9033 59 K 5.0076 7.9854 121.5698 54.6561 35.3272 175.6129 60 F 4.7318 9.0350 121.6130 55.6774 42.9606 175.2447 61 N 4.5615 9.1859 121.8463 56.5253 39.9148 174.7731 62 R 4.9569 7.8421 115.0122 54.3307 34.5454 174.8895 63 V 4.0744 8.3354 122.5866 60.9857 34.5484 174.0085 64 F 5.0104 8.8062 126.7439 56.3238 40.1101 174.9674 65 I 4.4507 8.9018 130.5371 60.6747 39.8133 176.7078 *67 Y 4.7690 8.5038 119.7498 58.1146 39.7964 177.6421 68 R 3.7021 7.1974 118.0992 58.4827 30.3205 176.6463 69 Y 4.3127 7.8184 113.2697 57.6130 38.7161 174.6077 70 I 4.4134 7.5306 122.0499 61.0287 37.2715 176.0614 71 V 4.0577 8.9866 128.8700 65.4947 32.0863 175.5964 72 H 4.8576 7.7012 112.8287 54.9022 31.4222 172.2207 73 I 5.0027 8.3751 120.0514 59.7215 39.5530 174.7423 74 D 5.1853 9.0994 126.6243 52.1467 44.0733 176.1485 75 S 4.5680 8.6761 116.6130 58.5869 63.8011 174.1528 76 T 4.4776 8.4113 110.8016 61.3684 69.8174 173.6330 77 E 4.6764 7.8153 121.7862 54.5166 31.5397 176.0167 78 R 4.1669 8.2795 121.6283 55.8992 30.9230 176.9327 79 R 4.2042 8.1948 119.4546 55.6909 30.8774 176.8823 80 I 3.7357 7.8575 120.7992 61.4237 37.6994 175.9654 81 D 4.5430 8.3650 123.2758 53.8339 42.6339 176.8019 *83 R 3.6935 8.3596 117.8538 56.1154 32.0418 178.2534 84 E 4.0117 8.3248 116.8206 59.4169 29.5522 178.7322 85 F 3.9480 8.4305 120.5889 61.3188 39.1626 177.1107 86 A 4.0116 8.0359 119.7359 54.8856 18.0445 179.0225 87 K 3.7801 7.9779 118.1938 60.2000 32.0017 179.0403 88 Q 4.0149 8.5221 117.9894 58.6350 28.5987 178.5200 89 A 3.8588 7.9065 122.1669 54.8094 18.2486 179.0723 90 E 4.0014 8.5230 118.3356 59.6519 29.4313 179.3739 91 K 3.9857 7.4165 117.2994 59.1599 32.1037 178.9176 92 I 3.8323 6.9297 118.9918 62.1475 38.5578 176.2643 93 F 4.8909 8.1802 117.2453 54.0822 39.0127 172.3362 94 P 4.5833 0.0000 0.0000 63.3620 32.1527 176.6903 95 G 3.6388 8.3032 109.4367 46.6289 0.0000 173.7564 *97 V 4.1788 7.5747 117.0112 62.5621 32.9821 174.9001 98 K 4.7031 9.2138 125.8960 55.1527 37.0599 174.2968 99 Y 4.8520 8.7946 125.8790 56.3267 40.9536 174.4301 100 I 4.1293 8.2817 129.5171 59.4049 36.9213 176.1057 101 E 3.6072 8.2846 129.1887 58.6614 29.8764 178.5584 102 E 3.8991 8.1783 118.8503 58.9067 29.5430 177.2496 103 T 4.4862 7.3014 104.0616 60.0218 69.9765 172.9602 104 N 4.1696 7.4943 117.9843 54.2965 38.0655 173.7266 105 V 4.6516 7.1852 115.1768 60.9462 35.5795 174.1384 106 V 4.9668 8.8518 126.3888 61.2229 33.9424 174.1288 107 L 5.1616 9.3320 127.9864 53.1033 44.6776 175.5997 108 I 4.4370 8.3327 123.5418 60.4160 39.9468 176.0838 109 G 3.9057 8.6786 118.5730 45.4605 0.0000 172.2800 110 D 4.8495 8.6661 119.9116 54.1440 41.8147 176.5388 111 K 4.5080 7.9616 116.6243 55.6791 33.8060 175.6181 112 V 4.6199 7.4831 119.2921 60.9154 34.2414 174.1681 113 R 5.0328 8.7833 127.3673 54.4936 33.4805 173.7215 114 V 4.7708 9.0944 126.5491 61.0946 34.4382 174.5732 115 S 5.1792 8.6907 122.0770 55.9363 66.2096 174.7024 116 E 4.1968 8.9930 117.1527 57.9599 29.2725 177.3421 117 I 4.3904 8.6321 111.8857 59.4530 38.1000 175.4831 118 G 3.3862 6.5105 110.0718 45.4020 0.0000 171.1702 119 V 4.4735 7.3371 118.8476 60.8409 33.3866 174.5254 120 E 4.3666 9.5397 127.7596 55.7697 30.8205 174.9580 121 G 4.0680 8.5429 107.8712 44.5285 0.0000 173.1161 122 V 4.3714 8.3320 110.8029 60.0364 35.5933 174.5976 123 G 4.0451 8.7170 107.5227 43.0118 0.0000 172.9996 124 P 4.3622 0.0000 0.0000 65.3469 31.0359 179.3340 125 V 3.7784 7.7970 116.6935 65.7136 31.5834 177.5849 126 A 3.9517 7.9776 120.1006 55.2316 18.3145 178.8909 127 E 3.8979 8.5491 117.9728 59.6370 29.7845 178.9665 128 R 4.0032 8.4693 118.6754 59.5777 30.0570 178.3330 129 A 4.3855 8.5781 120.6841 54.9490 18.3656 179.8299 130 K 4.0052 8.2629 117.2943 59.8417 32.2574 179.7013 131 R 4.1672 8.1090 118.1958 59.0804 29.9474 178.9985 132 L 4.1122 8.1991 120.1223 58.1590 42.2930 178.5420 133 F 4.0660 8.8978 120.9035 61.7340 39.2045 176.9894 134 E 4.2444 9.1467 118.3511 59.4154 28.9746 179.0223 135 E 4.0274 8.1177 118.6540 59.1632 29.7628 178.5868 136 F 4.1180 8.2004 116.9713 60.6695 39.1248 177.2915 137 L 4.1399 7.7729 116.9000 57.6145 41.4370 178.0875 138 K 4.3224 7.6324 122.2934 56.6046 32.2554 176.5867 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 12 F 8.18 4.83 0.00 3.14 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 13 V 8.03 3.45 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 1.09 0.00 0.00 0.92 0.00 0.00 14 A 8.74 4.00 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 15 E 8.19 3.97 0.00 2.04 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 2.34 2.46 0.00 16 L 8.21 4.16 0.00 2.00 1.77 1.11 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.48 4.55 0.00 2.93 2.94 0.00 0.00 7.25 6.37 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 18 N 7.75 4.77 0.00 2.90 2.85 0.00 0.00 6.90 9.11 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 19 L 7.94 4.61 0.00 1.79 1.66 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.23 4.28 0.00 1.67 1.63 1.00 0.90 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 21 G 9.15 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 22 R 7.98 4.60 0.00 1.86 1.86 0.00 3.51 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 23 E 8.62 4.68 0.00 2.00 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 2.31 2.36 0.00 24 V 9.04 4.76 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 0.72 0.00 0.00 1.01 0.00 0.00 25 Q 8.87 5.14 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 26 V 9.20 4.78 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 1.02 0.00 0.00 0.98 0.00 0.00 27 V 8.43 4.57 1.69 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 0.96 0.00 0.00 0.89 0.00 0.00 28 L 8.83 5.38 0.00 1.95 1.66 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.33 4.32 0.00 4.01 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 30 N 8.26 4.65 0.00 2.86 2.96 0.00 0.00 6.26 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 31 G 8.30 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 32 E 8.36 4.32 0.00 2.20 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 2.35 2.41 0.00 33 V 8.01 4.76 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 1.01 0.00 0.00 0.92 0.00 0.00 34 Y 9.05 5.00 0.00 2.97 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 35 K 8.80 4.97 0.00 1.80 1.63 0.00 2.07 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.53 7.81 36 G 8.18 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 0.00 0.00 0.00 0.00 37 V 7.76 4.36 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 0.96 0.00 0.00 0.95 0.00 0.00 38 L 9.01 4.19 0.00 1.82 1.72 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.96 4.60 0.00 3.12 3.33 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.55 4.66 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 41 V 8.35 5.06 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 0.92 0.00 0.00 0.98 0.00 0.00 42 D 8.36 5.11 0.00 2.87 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 43 N 8.66 4.25 0.00 2.68 2.86 0.00 0.00 6.83 7.69 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 44 Q 8.01 3.88 0.00 2.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 45 L 7.87 3.76 0.00 1.74 1.88 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.94 4.93 0.00 3.03 2.86 0.00 0.00 6.81 7.35 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 47 I 8.77 4.90 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.94 0.00 0.00 48 V 8.59 4.64 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 0.57 0.00 0.00 1.10 0.00 0.00 49 L 8.91 5.21 0.00 1.49 1.52 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.34 4.79 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.79 4.09 0.00 2.78 2.84 0.00 0.00 6.87 5.12 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 52 A 7.99 5.12 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 53 S 9.34 5.68 0.00 3.90 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 54 N 8.26 5.62 0.00 2.31 1.58 0.00 0.00 6.75 7.79 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 55 K 8.45 3.80 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 A 7.94 4.06 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 57 G 8.28 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.14 4.19 0.00 2.09 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 59 K 7.99 5.01 0.00 1.40 1.57 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.45 7.81 60 F 9.04 4.73 0.00 3.04 2.93 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 61 N 9.19 4.56 0.00 2.83 2.85 0.00 0.00 6.95 7.65 0.00 0.00 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 R 7.84 4.96 0.00 1.55 1.05 0.00 3.01 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.00 63 V 8.34 4.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.70 0.00 0.00 64 F 8.81 5.01 0.00 2.86 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 65 I 8.90 4.45 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 0.94 0.00 0.00 *67 Y 8.50 4.77 0.00 3.22 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 68 R 7.20 3.70 0.00 1.40 1.39 0.00 2.93 0.00 0.00 2.98 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.00 69 Y 7.82 4.31 0.00 3.13 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 70 I 7.53 4.41 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 1.03 0.00 0.00 71 V 8.99 4.06 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 0.99 0.00 0.00 72 H 7.70 4.86 0.00 3.17 3.36 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.38 5.00 1.79 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.99 0.00 0.00 74 D 9.10 5.19 0.00 2.54 2.54 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 75 S 8.68 4.57 0.00 3.98 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 76 T 8.41 4.48 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 1.20 0.00 0.00 77 E 7.82 4.68 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 78 R 8.28 4.17 0.00 1.81 1.87 0.00 3.21 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 79 R 8.19 4.20 0.00 1.80 1.85 0.00 3.56 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 80 I 7.86 3.74 1.38 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.21 0.36 0.00 0.00 81 D 8.37 4.54 0.00 2.80 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 *83 R 8.36 3.69 0.00 1.90 1.76 0.00 3.03 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 84 E 8.32 4.01 0.00 2.38 2.40 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 2.54 2.38 0.00 85 F 8.43 3.95 0.00 2.45 2.89 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 86 A 8.04 4.01 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 87 K 7.98 3.78 0.00 1.96 2.08 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 88 Q 8.52 4.01 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 89 A 7.91 3.86 1.22 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 0.00 0.00 0.00 90 E 8.52 4.00 0.00 2.27 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 2.36 2.54 0.00 91 K 7.42 3.99 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.46 7.81 92 I 6.93 3.83 1.46 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.08 0.00 0.00 93 F 8.18 4.89 0.00 2.89 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 94 P 0.00 4.58 0.00 2.05 2.03 0.00 3.83 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 2.02 2.18 0.00 95 G 8.30 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 0.00 0.00 0.00 *97 V 7.57 4.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.09 0.00 0.00 98 K 9.21 4.70 0.00 1.68 1.64 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.41 7.81 99 Y 8.79 4.85 0.00 3.15 2.93 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 0.00 100 I 8.28 4.13 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.76 0.79 0.00 0.00 101 E 8.28 3.61 0.00 2.02 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 2.50 2.64 0.00 102 E 8.18 3.90 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 103 T 7.30 4.49 4.20 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 1.17 0.00 0.00 104 N 7.49 4.17 0.00 2.84 2.91 0.00 0.00 6.87 7.60 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 0.00 105 V 7.19 4.65 2.00 0.00 0.00 0.00 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 0.94 0.00 0.00 106 V 8.85 4.97 2.34 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 1.19 0.00 0.00 1.30 0.00 0.00 107 L 9.33 5.16 0.00 1.58 1.52 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.33 4.44 1.61 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 0.21 0.00 0.00 109 G 8.68 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 0.00 0.00 0.00 110 D 8.67 4.85 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.96 4.51 0.00 1.65 1.76 0.00 1.56 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.42 7.81 112 V 7.48 4.62 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 0.88 0.00 0.00 0.88 0.00 0.00 113 R 8.78 5.03 0.00 1.87 1.67 0.00 3.05 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 114 V 9.09 4.77 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 0.65 0.00 0.00 1.07 0.00 0.00 115 S 8.69 5.18 0.00 3.87 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 0.00 116 E 8.99 4.20 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 117 I 8.63 4.39 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.92 0.00 0.00 118 G 6.51 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.34 4.47 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 0.84 0.00 0.00 0.81 0.00 0.00 120 E 9.54 4.37 0.00 2.16 1.79 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 2.20 2.18 0.00 121 G 8.54 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 0.00 0.00 0.00 0.00 122 V 8.33 4.37 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 0.74 0.00 0.00 0.92 0.00 0.00 123 G 8.72 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.36 0.00 2.23 2.16 0.00 3.63 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 2.14 2.16 0.00 125 V 7.80 3.78 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 0.56 0.00 0.00 1.01 0.00 0.00 126 A 7.98 3.95 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 0.00 127 E 8.55 3.90 0.00 2.35 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 2.34 2.41 0.00 128 R 8.47 4.00 0.00 2.35 2.40 0.00 3.41 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 129 A 8.58 4.39 1.58 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 0.00 0.00 130 K 8.26 4.01 0.00 2.06 2.06 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.66 7.81 131 R 8.11 4.17 0.00 2.23 2.08 0.00 3.25 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 132 L 8.20 4.11 0.00 2.10 2.17 0.29 1.24 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 0.00 133 F 8.90 4.07 0.00 3.40 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 9.15 4.24 0.00 2.15 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 0.00 2.46 2.60 0.00 135 E 8.12 4.03 0.00 2.38 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 0.00 2.34 2.40 0.00 136 F 8.20 4.12 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 0.00 137 L 7.77 4.14 0.00 1.96 1.84 1.22 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.63 4.32 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.77 7.81 * Residues marked with a * may have inaccurate shift predictions.