NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.6811 0.0000 0.0000 61.9364 33.0329 176.0750 4 K 4.0343 8.8730 123.5160 56.1808 33.3689 174.3834 5 L 5.2337 9.2661 123.8938 53.1783 45.4094 175.1557 6 I 4.9994 8.6005 122.4414 59.7612 41.3598 174.9075 7 L 5.4537 9.0492 126.6190 52.1222 45.0122 175.5326 *9 S 4.7716 8.3222 113.8300 58.1062 63.8962 173.3158 10 H 4.0801 9.5190 118.9618 57.1108 29.1486 177.7173 11 G 3.6920 8.5653 111.6082 46.6614 0.0000 174.1591 12 R 4.3369 8.1714 116.3766 54.4640 29.8588 176.0318 *14 A 4.2306 8.1637 125.0072 51.9443 21.0206 178.5333 15 E 3.9090 8.3059 115.6021 59.8921 29.4983 178.9540 16 E 4.0921 8.3027 117.9402 59.1480 29.4157 179.4226 17 T 3.8343 7.7857 115.7938 66.4443 68.4917 176.0199 18 L 3.8998 8.1255 122.0543 58.0952 41.8967 178.7538 19 A 4.1334 7.6676 119.2739 55.4649 18.3963 179.4688 20 S 4.2188 8.0599 112.4414 61.9979 63.1012 176.6758 21 T 4.0685 8.1250 118.5475 66.5291 68.3480 177.9850 22 Q 4.5276 8.2875 121.6365 55.5419 28.2776 178.7907 *24 I 4.0656 7.6986 121.4423 61.1589 39.0898 177.5222 25 V 4.0127 7.9466 110.7456 60.6534 32.7890 175.5522 26 G 3.8581 8.0997 106.1300 44.0128 0.0000 174.1798 27 E 4.1182 8.4128 115.6204 58.3535 29.5791 178.0282 28 L 4.0553 7.7966 118.2012 56.1640 42.0742 176.7231 29 A 4.1203 7.8601 122.9335 51.9838 18.3766 176.4212 30 D 4.7654 8.3759 121.5294 52.7898 44.5094 174.1120 31 A 4.8397 8.1175 124.9258 50.7440 22.1345 175.8320 32 A 4.3377 8.8250 122.7021 51.8816 20.1420 176.6564 33 I 5.0083 8.1141 118.8695 59.4758 40.9491 175.1974 34 V 4.2737 8.5624 126.1449 61.6182 33.1370 174.9615 35 S 5.1471 8.6106 125.2494 56.1354 65.7053 172.6874 *37 T 4.1024 8.0296 110.0360 61.8237 69.4241 174.3538 38 A 4.0895 8.4683 123.3388 54.6295 18.3498 178.1906 39 E 4.3912 7.6675 113.7279 57.0876 30.6181 177.5569 40 D 4.2714 8.2741 120.2547 57.1201 41.4263 178.3606 41 G 3.8661 7.9434 107.0593 45.1784 0.0000 173.0915 42 L 3.8919 8.3931 118.2093 58.5245 42.1108 179.8562 43 S 4.3963 8.0728 114.7697 61.5811 62.8223 176.8327 44 G 3.6108 7.7857 107.2144 47.8519 0.0000 176.1113 45 T 3.8670 7.9754 118.0404 66.6048 68.4393 176.7314 46 Q 4.0049 8.4180 120.1351 59.1188 28.7521 179.0998 47 A 3.9975 8.1819 121.6307 54.9124 18.2069 179.9019 48 K 3.9102 8.0425 117.1256 59.5786 32.0818 179.4007 49 L 3.9951 8.0343 120.3952 57.9947 41.9818 178.7856 50 A 3.9600 8.3411 120.8363 55.0469 18.1511 179.4012 51 A 3.9933 8.1274 119.2957 55.3348 18.2914 180.0507 52 I 3.6403 7.3763 116.8327 64.6060 37.3812 178.7653 53 L 3.7729 8.0390 120.0688 57.4766 41.0555 179.7501 54 K 4.1644 8.3343 118.3453 59.3672 32.0506 178.6644 55 E 4.0469 7.8712 118.6047 58.9981 29.6473 178.1795 56 A 4.2705 7.8312 119.2127 53.7498 19.4888 179.0301 57 G 3.8317 8.0646 105.4060 46.0883 0.0000 173.8900 58 N 4.8025 8.6861 114.2585 52.3799 37.5430 175.4690 59 V 4.4604 7.2108 118.6827 58.5721 34.4522 174.7125 60 P 4.6022 0.0000 0.0000 63.9299 32.2766 175.3065 61 T 5.0833 9.0678 120.0361 61.8401 73.5430 172.4948 62 L 5.0839 9.2783 127.3784 53.2734 45.2030 175.0157 63 V 4.6437 8.8374 126.7662 61.6411 33.4591 174.3444 64 L 5.0357 9.0623 128.3760 53.3366 43.4014 175.3034 65 A 4.8608 9.0339 126.8928 50.0146 21.2538 177.1347 66 D 4.2743 8.7463 120.3286 56.0483 40.4639 174.4219 67 L 4.3400 7.6078 124.6471 53.7442 43.9452 176.7807 *69 G 3.9315 8.7446 103.7695 44.9103 0.0000 173.4878 70 G 3.9166 7.7604 106.6850 44.2649 0.0000 174.6204 71 T 3.8824 8.4529 117.9866 66.1577 68.4584 174.9042 72 P 4.1815 0.0000 0.0000 65.8106 31.1889 178.1259 73 C 4.0864 7.9554 115.3109 62.6231 31.6075 174.7578 74 N 4.4597 8.4347 117.3450 56.3516 38.1682 177.2372 75 V 3.8019 7.9231 118.8232 65.1241 32.9622 177.5343 76 A 4.2172 7.5225 120.7386 51.9083 15.7638 177.2364 *79 A 4.0893 7.8267 130.7545 51.4313 20.1765 178.7779 *81 G 3.9575 7.7853 109.5101 45.3373 0.0000 173.3785 82 T 4.0793 7.9675 115.2696 64.2183 69.9647 174.0104 83 Y 4.4124 7.6189 119.8619 55.3174 38.0334 174.3556 84 P 4.4503 0.0000 0.0000 64.5841 31.9787 177.4337 85 Q 4.5793 8.1235 117.6453 55.4751 29.1762 173.7031 86 L 5.0370 7.7148 120.4366 54.0304 43.2841 175.8881 87 R 4.8734 8.9727 123.9520 54.3938 34.7369 174.4392 88 V 4.8808 8.2012 119.0385 61.3599 34.6899 174.4129 89 V 4.5032 8.9508 127.2930 61.1008 34.2231 174.5449 90 A 4.8478 8.8064 128.9186 50.6224 21.4415 176.4872 91 G 3.7880 8.3835 104.4232 45.3565 0.0000 173.5949 92 L 3.7744 7.3983 120.6003 55.3993 42.1215 176.0838 93 N 5.1241 8.2907 121.4963 50.4918 40.8762 174.0193 94 L 4.0142 8.4597 119.2418 58.1515 42.3889 179.4856 95 A 4.2057 7.3841 119.7352 52.2212 17.8714 179.0791 *97 A 4.2650 8.1922 123.9738 53.9893 20.6943 180.1216 98 I 3.6929 8.0919 116.7759 64.8010 37.2601 178.5964 99 E 4.0523 8.4205 119.1029 59.3006 29.0121 179.2963 100 A 4.0785 8.0068 119.4893 55.1629 18.5871 179.0952 101 A 4.1054 7.9056 118.4038 54.4348 18.5582 179.2147 102 V 4.2077 7.2300 108.0374 60.1962 32.9495 176.3397 103 S 4.1640 7.5277 114.6699 57.8333 62.5913 171.8891 104 P 4.5685 0.0000 0.0000 62.4954 31.7407 176.0830 105 V 3.5446 7.5360 119.7945 63.5868 31.7614 174.9047 106 E 4.2723 8.6644 127.3188 57.7168 30.6507 176.2671 107 N 4.5821 7.8609 117.3470 53.0586 40.5340 175.9856 108 V 3.6449 8.3702 121.0520 64.6584 31.7953 178.4825 109 D 4.3569 8.1680 118.2929 57.1940 40.7173 178.2424 110 E 3.9635 8.6269 119.9756 59.0665 29.6074 178.6585 111 L 4.0032 8.3169 120.5170 58.1409 42.1647 178.6701 112 A 3.9940 8.3794 120.8549 55.1966 18.2745 179.5123 113 A 3.9341 8.1361 119.2166 55.3378 18.3884 179.1510 114 Y 4.1010 8.2619 118.1607 61.1029 38.8502 178.5295 115 L 3.7569 8.2275 119.6972 57.5330 41.6654 179.6041 116 T 3.7954 8.0430 116.1972 66.6457 68.3536 176.3331 117 Q 3.9064 7.9557 121.3605 59.0934 29.0876 178.1497 118 I 3.5907 7.7168 121.2678 64.4268 36.9199 178.6682 119 G 3.5722 7.9400 105.1650 47.8248 0.0000 175.5031 120 Q 4.1310 8.0923 120.4171 58.9302 28.5780 179.0050 121 S 4.1873 8.0893 114.6046 61.0863 62.8728 176.2187 122 A 4.2885 7.9285 122.6746 52.9487 18.1263 177.2709 123 V 4.0238 7.1664 117.1017 61.8722 31.5054 174.8839 124 T 4.6578 7.8696 120.3555 60.7093 70.3243 173.0091 125 T 4.1683 8.3188 122.9508 63.2903 69.2501 174.3185 126 I 4.4368 8.1610 126.9505 59.7394 38.8328 174.8754 127 D 4.8332 8.1999 122.7904 51.0540 42.2939 175.1893 128 L 4.1462 8.3298 123.2566 54.1292 42.8519 174.9104 129 P 4.4011 0.0000 0.0000 62.4745 31.8648 175.9263 130 E 4.6157 8.5308 117.7942 54.8518 30.8009 175.5476 131 L 4.7511 8.3504 121.3392 53.7529 44.3149 176.7974 132 T 4.0431 7.9627 113.7459 61.8833 68.6491 174.0370 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 3 P 0.00 4.68 0.00 1.96 2.06 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 1.93 2.25 0.00 4 K 8.87 4.03 0.00 1.66 1.71 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.62 7.81 5 L 9.27 5.23 0.00 1.71 1.54 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.60 5.00 1.84 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 1.19 0.68 0.88 0.00 0.00 7 L 9.05 5.45 0.00 1.55 1.57 0.92 0.92 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 *9 S 8.32 4.77 0.00 4.18 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 10 H 9.52 4.08 0.00 3.08 3.31 0.00 6.00 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 11 G 8.57 3.69 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 12 R 8.17 4.34 0.00 1.87 1.88 0.00 3.16 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 *14 A 8.16 4.23 1.30 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 15 E 8.31 3.91 0.00 2.04 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 0.00 2.38 2.42 0.00 16 E 8.30 4.09 0.00 2.03 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 2.46 2.49 0.00 17 T 7.79 3.83 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 1.21 0.00 0.00 18 L 8.13 3.90 0.00 1.75 1.82 0.92 1.02 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 19 A 7.67 4.13 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 20 S 8.06 4.22 0.00 3.98 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 21 T 8.13 4.07 4.42 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 1.27 0.00 0.00 22 Q 8.29 4.53 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.39 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 *24 I 7.70 4.07 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.91 0.00 0.00 25 V 7.95 4.01 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 0.68 0.00 0.00 0.98 0.00 0.00 26 G 8.10 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 27 E 8.41 4.12 0.00 2.09 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 2.28 2.33 0.00 28 L 7.80 4.06 0.00 1.66 1.76 0.92 0.79 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 29 A 7.86 4.12 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.38 4.77 0.00 2.56 2.48 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 31 A 8.12 4.84 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 32 A 8.83 4.34 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 33 I 8.11 5.01 1.86 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 1.22 0.98 0.90 0.00 0.00 34 V 8.56 4.27 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 0.75 0.00 0.00 0.90 0.00 0.00 35 S 8.61 5.15 0.00 3.87 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 *37 T 8.03 4.10 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 38 A 8.47 4.09 1.31 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 39 E 7.67 4.39 0.00 1.89 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 0.00 2.29 2.31 0.00 40 D 8.27 4.27 0.00 2.87 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 41 G 7.94 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.39 3.89 0.00 1.77 1.67 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 43 S 8.07 4.40 0.00 3.90 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 44 G 7.79 3.61 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 0.00 0.00 0.00 45 T 7.98 3.87 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 1.18 0.00 0.00 46 Q 8.42 4.00 0.00 2.30 2.17 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 2.39 2.54 0.00 47 A 8.18 4.00 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 48 K 8.04 3.91 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.62 7.81 49 L 8.03 4.00 0.00 1.74 1.64 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.34 3.96 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 51 A 8.13 3.99 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 52 I 7.38 3.64 1.96 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 1.49 1.43 0.85 0.00 0.00 53 L 8.04 3.77 0.00 1.28 0.45 0.46 0.65 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 54 K 8.33 4.16 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.69 7.81 55 E 7.87 4.05 0.00 1.95 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 2.32 2.37 0.00 56 A 7.83 4.27 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 57 G 8.06 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 58 N 8.69 4.80 0.00 2.71 2.80 0.00 0.00 6.66 7.71 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 59 V 7.21 4.46 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 0.93 0.00 0.00 0.94 0.00 0.00 60 P 0.00 4.60 0.00 2.10 2.06 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 61 T 9.07 5.08 4.21 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 1.19 0.00 0.00 62 L 9.28 5.08 0.00 1.68 1.48 0.98 0.79 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 63 V 8.84 4.64 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 0.97 0.00 0.00 0.90 0.00 0.00 64 L 9.06 5.04 0.00 1.58 1.57 0.92 0.43 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 65 A 9.03 4.86 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 66 D 8.75 4.27 0.00 2.75 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 67 L 7.61 4.34 0.00 1.70 1.43 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.74 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 0.00 0.00 0.00 70 G 7.76 3.92 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 0.00 0.00 0.00 71 T 8.45 3.88 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 72 P 0.00 4.18 0.00 2.10 2.05 0.00 3.39 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 73 C 7.96 4.09 0.00 3.05 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 74 N 8.43 4.46 0.00 2.82 2.87 0.00 0.00 7.03 7.72 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 75 V 7.92 3.80 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 0.80 0.00 0.00 0.99 0.00 0.00 76 A 7.52 4.22 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 *79 A 7.83 4.09 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 *81 G 7.79 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 0.00 0.00 0.00 82 T 7.97 4.08 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 0.72 0.00 0.00 83 Y 7.62 4.41 0.00 3.02 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 84 P 0.00 4.45 0.00 2.19 2.18 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 85 Q 8.12 4.58 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 86 L 7.71 5.04 0.00 1.72 1.83 0.91 0.71 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 87 R 8.97 4.87 0.00 1.73 1.78 0.00 3.30 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 88 V 8.20 4.88 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 0.78 0.00 0.00 0.93 0.00 0.00 89 V 8.95 4.50 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 0.70 0.00 0.00 0.94 0.00 0.00 90 A 8.81 4.85 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 91 G 8.38 3.79 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 0.00 0.00 0.00 92 L 7.40 3.77 0.00 1.73 1.64 0.91 0.90 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 93 N 8.29 5.12 0.00 2.77 2.73 0.00 0.00 6.20 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 94 L 8.46 4.01 0.00 1.74 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.38 4.21 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 *97 A 8.19 4.27 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 98 I 8.09 3.69 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.93 0.00 0.00 99 E 8.42 4.05 0.00 1.98 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 2.51 2.43 0.00 100 A 8.01 4.08 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 0.00 101 A 7.91 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 0.00 102 V 7.23 4.21 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 0.78 0.00 0.00 1.05 0.00 0.00 103 S 7.53 4.16 0.00 4.08 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 0.00 104 P 0.00 4.57 0.00 2.18 2.10 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 105 V 7.54 3.54 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 0.83 0.00 0.00 0.72 0.00 0.00 106 E 8.66 4.27 0.00 1.95 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 2.22 2.27 0.00 107 N 7.86 4.58 0.00 2.80 2.67 0.00 0.00 7.24 7.71 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 0.00 108 V 8.37 3.64 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 0.88 0.00 0.00 0.95 0.00 0.00 109 D 8.17 4.36 0.00 2.88 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 0.00 110 E 8.63 3.96 0.00 2.05 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 2.30 2.33 0.00 111 L 8.32 4.00 0.00 1.87 1.82 1.04 1.23 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 0.00 112 A 8.38 3.99 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 0.00 113 A 8.14 3.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 4.10 0.00 3.12 3.21 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 0.00 115 L 8.23 3.76 0.00 1.72 1.65 0.96 0.65 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 0.00 116 T 8.04 3.80 4.38 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 1.19 0.00 0.00 117 Q 7.96 3.91 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 118 I 7.72 3.59 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.33 0.81 0.00 0.00 119 G 7.94 3.57 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 0.00 0.00 0.00 120 Q 8.09 4.13 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 121 S 8.09 4.19 0.00 3.78 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 0.00 122 A 7.93 4.29 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 0.00 123 V 7.17 4.02 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 0.76 0.00 0.00 0.98 0.00 0.00 124 T 7.87 4.66 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 0.00 125 T 8.32 4.17 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 0.00 126 I 8.16 4.44 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 0.91 0.00 0.00 127 D 8.20 4.83 0.00 2.71 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 0.00 128 L 8.33 4.15 0.00 1.61 1.60 0.92 0.96 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 0.00 129 P 0.00 4.40 0.00 2.08 1.97 0.00 3.67 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 2.02 2.07 0.00 130 E 8.53 4.62 0.00 2.02 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 2.15 2.22 0.00 131 L 8.35 4.75 0.00 1.59 1.67 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.96 4.04 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 * Residues marked with a * may have inaccurate shift predictions.