NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5856 8.0333 117.3298 63.5130 70.3377 172.9117 2 L 4.0971 8.5136 126.0717 53.5096 43.1433 175.7227 3 G 4.0819 8.5589 110.6322 45.3755 0.0000 172.5136 4 D 4.3870 8.8168 121.8636 55.4481 41.3506 177.1348 5 Q 4.4716 8.5742 124.2700 55.5519 29.1674 175.9395 6 G 3.7049 8.3399 108.3043 45.9152 0.0000 174.7405 7 G 3.9701 8.7429 107.1163 44.9816 0.0000 175.5063 8 Q 4.0313 8.0409 119.3203 58.6821 28.8619 178.8869 9 G 3.7601 7.9908 105.4770 47.9093 0.0000 174.6258 10 Q 4.1618 7.8569 118.5232 58.5227 29.3008 176.6837 11 E 4.7914 7.9286 116.3069 54.1226 30.5076 173.1133 12 P 4.5026 0.0000 0.0000 61.3384 32.7382 175.6768 13 P 3.1186 0.0000 0.0000 61.8011 31.5551 174.3013 14 P 4.4898 0.0000 0.0000 61.8651 32.2805 175.7196 15 E 4.1937 8.3278 118.0148 55.4813 30.1323 174.5631 16 P 4.6454 0.0000 0.0000 62.6855 32.5060 175.3289 17 R 5.2018 8.4325 119.5908 54.5090 33.0726 174.3396 18 I 4.7643 8.5735 119.2223 60.1024 42.1893 173.4401 19 T 5.0791 8.8995 125.4645 62.3829 70.3279 173.7325 20 L 5.1905 9.1788 125.7266 52.7672 46.6395 175.1183 21 K 4.8665 8.4466 122.1649 55.2009 34.0113 175.2969 22 V 4.6736 8.7731 127.7225 61.3222 34.5928 175.6553 23 G 3.8250 10.4069 118.4641 46.5870 0.0000 174.8464 24 G 3.9369 8.6783 107.3969 44.6253 0.0000 173.9250 25 Q 4.8479 7.7346 118.7078 53.0761 32.2814 173.1803 26 P 4.9106 0.0000 0.0000 62.7223 32.5787 175.6278 27 V 4.1785 9.0800 122.9817 61.2720 34.6447 174.0224 28 T 4.8272 8.7012 124.9656 62.4101 69.5135 174.2474 29 F 5.1517 9.1933 125.8571 55.5787 42.1998 174.7710 30 L 4.5758 8.7110 124.4575 54.6796 43.3329 175.8639 31 V 4.3216 8.7053 127.6116 62.4487 32.1770 175.0695 32 D 4.9521 9.1734 129.6103 52.4836 42.4583 176.3651 33 T 4.0279 8.7584 116.5723 63.7028 69.1987 175.9746 34 G 3.6812 8.2692 109.9194 46.4937 0.0000 172.9182 35 A 4.6057 7.8617 123.4732 50.1265 20.7459 177.5784 36 Q 3.9456 8.9578 124.5985 58.8894 30.1776 175.6887 37 H 5.7348 7.8614 113.1554 53.0133 32.1422 174.1635 38 S 4.7653 8.8399 116.2847 58.4933 64.5981 173.4651 39 V 5.0159 9.2010 121.5267 61.3816 35.1277 174.0110 40 L 5.1122 9.0511 127.3045 53.4125 43.8057 177.4249 41 T 4.4243 8.7587 111.3145 61.6586 70.0671 174.3530 42 Q 4.5217 7.7065 117.9982 55.5261 32.0694 173.9029 43 N 4.0200 8.5915 114.9223 54.0526 35.7875 173.2113 44 P 4.3362 0.0000 0.0000 62.5285 32.7402 177.8576 45 G 3.8890 8.0572 106.7418 44.9405 0.0000 171.2569 46 P 4.4268 0.0000 0.0000 62.7142 31.9367 175.0404 47 L 4.9566 8.1492 120.1636 52.8835 43.8133 176.9963 48 S 4.5481 8.8474 117.8039 58.1258 64.2717 173.4985 49 D 4.6957 8.4719 118.1517 54.9992 41.3959 177.1284 50 K 4.6762 7.9176 119.7227 56.2101 33.5611 176.0783 51 S 5.1785 8.6737 115.9445 57.1769 66.5135 172.6693 52 A 4.9492 9.0736 121.4158 49.8819 22.7941 174.9105 53 W 4.8893 8.9858 130.3480 56.8057 31.9657 175.6086 54 V 4.0459 8.2536 128.1510 60.8799 33.6302 174.3732 55 Q 3.9287 8.4294 130.1451 54.9297 28.8877 175.0533 *60 G 3.3969 8.3089 114.1071 45.5087 0.0000 170.9330 61 K 4.3109 7.7603 117.7737 56.0251 35.9904 173.7300 62 R 5.0550 8.1316 119.6663 55.2557 31.9443 175.4417 63 Y 4.8101 8.8393 122.4602 56.2806 42.7843 174.5255 64 R 4.9236 8.4541 119.8043 55.0633 32.4540 176.0590 65 W 4.9746 8.8493 122.9435 56.6468 30.3880 176.3604 66 T 4.7251 9.4958 114.9195 61.5618 69.4147 173.8646 67 T 4.2430 8.1889 113.4340 61.4374 69.8047 173.4329 68 D 4.6016 8.6826 121.2167 54.9586 41.3922 176.6138 69 R 4.8527 9.0674 121.4411 54.0835 34.1082 175.2070 70 K 4.5806 8.7278 122.2265 56.4492 33.6772 176.0254 71 V 4.8819 9.1398 125.1318 61.4807 33.9838 174.0395 72 H 4.8226 9.9369 127.6400 55.3097 29.6355 175.2025 73 L 4.8769 8.6790 123.6348 52.6660 43.7699 176.7243 74 A 4.1508 9.3031 125.3660 55.4217 18.7322 178.9445 75 T 4.6425 8.2237 101.7730 58.7190 68.6286 172.1004 76 G 4.0093 6.6704 110.7069 46.3075 0.0000 169.7024 77 K 5.2323 8.0359 117.5440 54.4900 35.9073 176.3992 78 V 4.6118 8.8108 121.8667 60.3650 35.4564 174.0549 79 T 5.1307 8.3493 117.3139 62.3990 70.3850 173.6545 80 H 4.9152 9.4458 124.8170 54.8662 33.8634 171.9583 81 S 5.3276 8.0758 118.2424 56.6956 65.2436 173.1284 82 F 5.2804 9.4024 120.5806 55.6786 42.5982 174.6377 83 L 4.2212 8.7626 121.8533 54.7801 42.9066 175.9100 84 H 4.9831 9.0294 124.4974 55.4695 30.3855 174.8646 85 V 3.5905 8.2549 127.8119 59.7192 31.8127 174.0972 86 P 4.7136 0.0000 0.0000 64.8267 31.6035 178.0144 87 D 4.7847 7.7468 117.6390 54.6354 40.6344 175.2339 88 C 4.7430 7.5683 118.6167 56.6082 34.1113 172.2123 89 P 4.1846 0.0000 0.0000 65.3373 31.2780 175.5455 90 Y 4.9178 6.5188 114.1482 54.5282 41.1726 173.1028 91 P 4.6221 0.0000 0.0000 63.2042 32.7453 175.2484 92 L 5.3980 9.0937 123.0094 52.9790 45.2370 175.2497 93 L 4.4157 9.2305 126.5163 53.8790 43.5134 175.6605 94 G 4.2400 8.5734 118.8757 44.2633 0.0000 173.1846 95 R 3.9690 8.8455 117.8502 58.9275 29.6920 178.6415 96 D 4.3684 8.0054 119.1644 56.7880 39.1438 178.9027 97 L 3.8219 7.6705 119.9647 56.7719 41.8201 179.0233 98 L 3.9411 7.8981 119.3230 58.0343 41.3718 179.7281 99 T 3.9192 8.0784 109.7685 64.4583 68.6226 176.7272 100 K 3.8920 7.5895 121.2465 59.1857 32.3945 178.2654 101 L 4.1656 8.0674 116.5952 54.2981 42.1842 176.7105 102 K 3.7635 7.5762 117.2120 57.1657 30.1992 175.3311 103 A 4.4575 7.7493 118.5475 52.1089 19.5346 178.1495 104 Q 4.7348 9.1194 118.3875 54.0958 32.6566 174.7317 105 I 4.8401 8.4886 123.0421 59.9035 39.8059 174.4729 106 H 4.9345 9.5085 124.8841 54.0286 31.1089 173.4376 107 F 4.7543 8.9937 122.1374 56.4885 40.0500 175.6917 108 E 4.5299 9.7251 120.2457 55.5977 31.0445 176.7370 109 G 4.3438 8.3604 114.3601 45.9576 0.0000 175.2971 110 S 4.3859 7.5368 118.4992 57.0526 61.8938 176.2039 111 G 3.8278 8.3639 112.1925 45.0013 0.0000 169.6486 112 A 4.7841 8.3388 121.2132 50.1776 22.5050 175.9529 113 Q 4.5145 9.0447 122.0320 54.1373 32.0640 174.5171 114 V 4.6870 8.3104 125.2941 61.4205 33.4185 174.6360 115 V 4.6026 8.6830 120.6553 59.3841 36.4039 175.6700 116 G 4.1197 8.8069 112.0288 43.6412 0.0000 172.9634 117 P 4.4512 0.0000 0.0000 65.0298 31.1300 176.9426 118 M 4.4660 8.0621 117.3804 55.0682 32.2950 176.3615 119 G 3.8831 8.5460 106.4594 45.7154 0.0000 174.1638 120 Q 4.2181 7.6740 118.7166 54.0684 29.6204 173.6765 121 P 4.4049 0.0000 0.0000 63.5978 31.9428 176.0448 122 L 4.3895 8.4307 121.4615 56.0055 42.9803 176.8454 123 Q 4.4832 7.8408 119.1837 55.9285 29.6760 175.9961 124 V 3.8805 8.3084 117.4538 61.7382 31.6050 175.9954 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 T 8.03 4.59 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 1.27 0.00 0.00 2 L 8.51 4.10 0.00 1.47 1.63 0.77 0.56 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 3 G 8.56 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 4 D 8.82 4.39 0.00 2.62 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 5 Q 8.57 4.47 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 6 G 8.34 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.74 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 8 Q 8.04 4.03 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 9 G 7.99 3.76 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 0.00 0.00 0.00 10 Q 7.86 4.16 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.19 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 11 E 7.93 4.79 0.00 1.96 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 2.22 2.29 0.00 12 P 0.00 4.50 0.00 2.14 2.04 0.00 3.81 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 1.99 1.95 0.00 13 P 0.00 3.12 0.00 1.87 1.43 0.00 3.67 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 1.84 1.98 0.00 14 P 0.00 4.49 0.00 2.18 2.08 0.00 3.24 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 15 E 8.33 4.19 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 16 P 0.00 4.65 0.00 2.02 1.90 0.00 3.72 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 2.28 1.99 0.00 17 R 8.43 5.20 0.00 1.81 1.99 0.00 2.96 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 18 I 8.57 4.76 1.89 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 1.30 1.55 0.99 0.00 0.00 19 T 8.90 5.08 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 1.25 0.00 0.00 20 L 9.18 5.19 0.00 1.88 1.79 0.93 0.66 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 21 K 8.45 4.87 0.00 1.78 1.68 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.39 7.81 22 V 8.77 4.67 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 0.75 0.00 0.00 1.16 0.00 0.00 23 G 10.41 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.68 3.94 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 0.00 0.00 0.00 25 Q 7.73 4.85 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.60 0.00 26 P 0.00 4.91 0.00 2.03 2.02 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 27 V 9.08 4.18 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.83 0.00 0.00 28 T 8.70 4.83 4.14 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 1.16 0.00 0.00 29 F 9.19 5.15 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.71 4.58 0.00 1.47 1.61 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.71 4.32 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 0.75 0.00 0.00 0.97 0.00 0.00 32 D 9.17 4.95 0.00 2.79 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 33 T 8.76 4.03 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 1.26 0.00 0.00 34 G 8.27 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.86 4.61 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.96 3.95 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 37 H 7.86 5.73 0.00 3.05 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.84 4.77 0.00 3.63 3.98 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 39 V 9.20 5.02 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 0.93 0.00 0.00 0.95 0.00 0.00 40 L 9.05 5.11 0.00 1.63 1.44 0.62 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.76 4.42 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 1.19 0.00 0.00 42 Q 7.71 4.52 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 43 N 8.59 4.02 0.00 2.92 2.78 0.00 0.00 6.68 8.03 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 44 P 0.00 4.34 0.00 2.13 2.01 0.00 3.64 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.46 0.00 45 G 8.06 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 46 P 0.00 4.43 0.00 2.26 2.21 0.00 3.68 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 2.10 2.01 0.00 47 L 8.15 4.96 0.00 1.69 1.69 0.99 0.96 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 48 S 8.85 4.55 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.47 4.70 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 50 K 7.92 4.68 0.00 1.96 1.92 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.43 7.81 51 S 8.67 5.18 0.00 3.97 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 52 A 9.07 4.95 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 53 W 8.99 4.89 0.00 3.49 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 54 V 8.25 4.05 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 0.82 0.00 0.00 0.92 0.00 0.00 55 Q 8.43 3.93 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 *60 G 8.31 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 0.00 0.00 0.00 61 K 7.76 4.31 0.00 1.58 1.80 0.00 1.14 0.00 0.00 1.45 0.00 0.00 2.21 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.18 0.58 7.81 62 R 8.13 5.06 0.00 1.98 1.78 0.00 3.22 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.81 0.00 63 Y 8.84 4.81 0.00 2.69 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 64 R 8.45 4.92 0.00 1.84 1.92 0.00 3.16 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 65 W 8.85 4.97 0.00 3.41 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 66 T 9.50 4.73 4.39 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 1.43 0.00 0.00 67 T 8.19 4.24 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 1.26 0.00 0.00 68 D 8.68 4.60 0.00 2.61 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 69 R 9.07 4.85 0.00 2.15 1.93 0.00 3.33 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 70 K 8.73 4.58 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.48 7.81 71 V 9.14 4.88 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 1.20 0.00 0.00 1.25 0.00 0.00 72 H 9.94 4.82 0.00 3.26 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.68 4.88 0.00 1.62 1.59 0.92 0.90 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 74 A 9.30 4.15 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 75 T 8.22 4.64 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 1.21 0.00 0.00 76 G 6.67 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 0.00 0.00 0.00 77 K 8.04 5.23 0.00 1.55 1.61 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.05 1.26 7.81 78 V 8.81 4.61 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 0.82 0.00 0.00 0.92 0.00 0.00 79 T 8.35 5.13 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 1.28 0.00 0.00 80 H 9.45 4.92 0.00 3.10 2.96 0.00 5.74 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.08 5.33 0.00 4.24 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 82 F 9.40 5.28 0.00 3.08 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 83 L 8.76 4.22 0.00 1.44 1.24 0.56 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 84 H 9.03 4.98 0.00 3.14 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.25 3.59 1.72 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 0.04 0.00 0.00 0.40 0.00 0.00 86 P 0.00 4.71 0.00 2.21 2.25 0.00 3.80 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.87 0.00 87 D 7.75 4.78 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.57 4.74 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.18 0.00 1.36 1.82 0.00 3.52 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.48 0.00 90 Y 6.52 4.92 0.00 2.91 2.99 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 91 P 0.00 4.62 0.00 1.71 1.69 0.00 3.68 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 1.94 1.98 0.00 92 L 9.09 5.40 0.00 1.72 1.65 0.96 0.68 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 93 L 9.23 4.42 0.00 1.37 1.45 0.68 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.57 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 0.00 0.00 0.00 0.00 95 R 8.85 3.97 0.00 1.80 1.99 0.00 3.15 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 96 D 8.01 4.37 0.00 2.96 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 97 L 7.67 3.82 0.00 1.47 1.54 0.67 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.90 3.94 0.00 1.68 1.70 0.92 0.40 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 99 T 8.08 3.92 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 1.25 0.00 0.00 100 K 7.59 3.89 0.00 1.79 1.97 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 101 L 8.07 4.17 0.00 1.60 1.67 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.58 3.76 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.50 7.81 103 A 7.75 4.46 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 0.00 104 Q 9.12 4.73 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 105 I 8.49 4.84 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.72 0.00 0.00 106 H 9.51 4.93 0.00 2.95 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.99 4.75 0.00 3.01 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 0.00 108 E 9.73 4.53 0.00 2.01 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 2.22 2.37 0.00 109 G 8.36 4.34 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 0.00 110 S 7.54 4.39 0.00 3.88 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 0.00 111 G 8.36 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.34 4.78 0.51 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 0.00 113 Q 9.04 4.51 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 114 V 8.31 4.69 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 0.89 0.00 0.00 0.86 0.00 0.00 115 V 8.68 4.60 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 0.60 0.00 0.00 0.80 0.00 0.00 116 G 8.81 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 0.00 117 P 0.00 4.45 0.00 2.18 2.28 0.00 3.71 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 1.98 1.98 0.00 118 M 8.06 4.47 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 119 G 8.55 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.67 4.22 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 121 P 0.00 4.40 0.00 2.02 2.02 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 122 L 8.43 4.39 0.00 1.69 1.69 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.84 4.48 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 124 V 8.31 3.88 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 0.75 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.