NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4507 8.3049 120.3266 54.5781 33.4398 175.0029 1 I 3.6206 8.1158 121.5832 61.8058 37.6008 174.4771 2 Q 4.8628 9.2669 123.9052 54.7817 33.4437 173.9770 3 R 4.8097 9.3437 123.5115 54.5626 33.7909 175.1336 4 T 4.9120 8.8387 119.8290 61.5057 69.5625 172.9262 5 P 4.8039 0.0000 0.0000 63.0500 32.1627 176.2229 6 K 4.4787 9.3884 122.8746 56.3069 33.8282 176.0386 7 I 5.2058 8.2247 122.5098 59.9236 40.8807 174.6105 8 Q 4.9493 9.4306 125.8434 53.9767 32.2381 174.6636 9 V 5.1310 8.4337 123.3820 60.2732 33.7374 174.3577 10 Y 5.2621 8.4202 120.9557 56.5460 41.5213 173.1716 11 S 4.9722 9.1382 115.0801 57.2195 64.6574 174.2246 12 R 4.1354 9.0502 123.0070 59.4358 30.1463 176.4570 13 H 5.0547 8.5941 113.7296 52.7309 31.4660 172.3929 14 P 4.3262 0.0000 0.0000 62.9320 31.6035 176.3772 15 A 4.2831 8.7674 125.9643 52.1360 19.1715 176.5925 16 E 4.6492 8.5604 121.7475 54.0391 32.6511 175.1510 17 N 4.6688 8.8805 121.6237 55.1250 38.9319 175.5104 18 G 3.9253 9.2162 111.2991 45.3342 0.0000 173.0719 19 K 4.5417 7.5529 119.1605 53.8207 34.1934 176.4074 20 S 4.0841 8.2903 117.7260 58.7173 63.9523 172.8235 21 N 4.8061 8.2229 118.5398 53.4757 43.0288 172.4553 22 F 5.2674 8.9218 116.4851 55.6398 43.2753 173.9468 23 L 4.1248 8.7317 125.0383 53.2936 43.6679 174.7432 24 N 5.3788 8.6841 123.9089 51.5222 41.7713 173.0737 25 C 5.3658 9.3335 122.3135 55.1923 47.9838 171.8622 26 Y 5.4545 9.4541 129.0783 56.3413 40.2905 174.4904 27 V 5.1577 8.7005 120.7570 59.7127 34.7896 175.1541 28 S 4.9784 9.0098 118.5427 57.8353 66.9572 174.7990 29 G 4.3133 8.5161 106.9213 46.8823 0.0000 173.4682 30 F 5.2929 7.3349 114.4489 55.9527 40.9722 174.1173 31 H 5.2739 8.9630 117.7186 54.8107 33.7579 171.9791 32 P 4.9666 0.0000 0.0000 62.3873 32.3527 176.0282 33 S 4.1125 8.5245 112.9491 60.2211 63.2828 174.2041 34 D 4.3704 7.9118 121.5756 54.6685 40.7374 175.1336 35 I 4.5594 7.8658 122.8150 59.7525 41.2569 172.8891 36 E 4.6163 8.9352 128.3006 54.2840 32.2687 174.7516 37 V 4.5312 7.9723 125.6497 61.1376 34.3515 174.0393 38 D 4.9465 8.9202 126.8654 52.4483 45.1359 174.4961 39 L 5.0397 8.3514 121.0294 53.2900 44.2332 175.2764 40 L 5.1908 9.0453 123.3511 52.7367 45.1020 175.2325 41 K 4.2699 8.9120 124.8376 54.7040 34.3270 175.9104 42 N 4.0835 9.9997 127.7674 54.3755 36.6688 175.6310 43 G 3.8721 8.3809 106.5293 46.0572 0.0000 173.9670 *44 E 4.5029 7.8787 117.1096 53.6029 31.0906 180.9328 45 R 4.2950 8.5132 124.6673 55.6181 30.5496 175.9616 46 I 4.0364 8.6547 129.8823 61.7246 37.9033 176.6920 *47 E 4.1701 8.7769 120.8946 58.0166 30.5239 175.3305 48 K 4.3010 7.6991 121.4992 54.7972 30.6587 174.8505 49 V 4.4484 7.4016 119.2041 61.0409 33.8105 175.1568 50 E 4.5837 8.3577 127.4268 55.0901 32.1356 174.5039 51 H 5.1835 7.7406 115.4111 53.4857 31.6778 173.2073 52 S 4.4965 8.7777 115.0280 58.2897 63.8359 173.7334 53 D 4.4644 8.5360 120.8731 53.7114 41.2124 176.2335 54 L 3.9499 8.5489 125.2713 56.3365 42.6559 175.8635 55 S 4.7130 8.2446 119.0058 57.0290 66.6904 171.6885 56 F 5.1911 7.4720 114.6078 55.7522 40.9619 174.1144 57 S 4.6935 9.1814 119.1582 57.4956 64.5008 176.3183 *58 K 3.9083 8.5748 122.3558 58.0867 31.2020 174.8193 59 D 4.4749 7.7731 115.2128 53.2050 39.2260 177.1221 60 W 3.6649 7.8718 119.7857 56.6923 28.3229 174.6943 61 S 4.3382 8.1508 114.3631 58.2062 63.6835 173.9663 62 F 4.9747 8.5122 121.9333 57.2210 40.5874 174.2003 63 Y 5.3053 8.2988 118.2519 55.7528 41.7906 173.9956 64 L 5.0931 9.3844 119.8600 53.3653 47.0640 174.6624 65 L 5.3528 9.3320 124.9861 53.8956 44.2849 174.5397 66 Y 5.0244 9.3450 125.1100 56.8822 40.2042 174.4354 67 Y 5.4309 8.5777 120.6066 56.5529 42.0182 173.4356 68 T 5.0645 8.9352 114.1498 60.6372 71.4893 172.6965 69 E 3.9167 8.5933 125.9112 56.4965 30.2837 176.2148 70 F 4.8446 8.9503 117.0661 56.1094 42.1921 173.4832 71 T 4.5143 8.2342 116.9482 60.7346 70.5984 171.7572 72 P 4.6128 0.0000 0.0000 63.0108 32.0161 175.3506 73 T 4.9385 8.6334 116.9837 60.4768 70.9710 175.0041 *74 E 4.1329 9.0346 119.7531 58.1551 29.6151 177.0636 75 K 4.5394 7.2654 113.1597 56.9302 34.2034 176.6490 76 D 4.5807 8.1977 119.8635 54.4729 41.4238 174.9973 77 E 4.9776 9.2734 123.3025 54.9076 32.2288 174.7060 78 Y 5.3876 8.8797 119.7311 56.5843 42.3184 174.1779 79 A 5.1706 8.9155 121.9307 51.2186 23.6329 174.0824 80 C 5.3492 9.4023 119.5717 54.7401 47.4041 172.6115 81 R 5.0783 9.1663 126.0881 54.4955 32.5601 174.1746 82 V 4.7572 8.8773 126.2282 61.0903 34.7434 173.7799 83 N 5.3153 8.7553 124.5278 52.0062 42.0298 172.9223 84 H 4.9350 8.4099 120.2017 55.0392 32.9255 174.6891 85 V 3.5924 8.1258 122.2938 64.7082 31.2163 177.3008 86 T 4.1713 7.9862 108.9979 62.2822 69.3277 173.5629 87 L 4.7675 7.7836 123.5456 52.9256 43.2422 176.7538 88 S 4.3120 8.7557 118.9128 60.0916 63.6185 174.1975 89 Q 4.7219 7.5700 117.7550 52.7360 31.9427 173.1619 90 P 4.4930 0.0000 0.0000 62.8798 32.3310 175.5904 91 K 4.4866 8.9697 125.2082 54.9633 34.0050 174.8340 92 I 4.8978 8.4060 128.1386 59.5430 39.4988 174.9363 93 V 4.4095 8.6812 127.7087 60.8652 33.5633 174.9390 94 K 4.7442 8.7274 127.6715 55.8405 33.0141 176.6049 95 W 4.5630 9.2013 135.0000 57.3614 31.6187 174.8544 96 D 4.4924 8.4252 126.1943 51.8510 42.6862 176.4778 97 R 3.6981 7.8002 123.1765 58.0512 29.5115 176.4156 98 D 4.9506 8.1771 118.4516 54.0599 41.6166 175.7801 99 M 4.3950 7.9517 122.9072 55.1856 33.1184 175.1311 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 0 M 8.30 4.45 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 1 I 8.12 3.62 1.80 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 1.39 0.03 0.87 0.00 0.00 2 Q 9.27 4.86 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 3 R 9.34 4.81 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 4 T 8.84 4.91 4.29 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 1.24 0.00 0.00 5 P 0.00 4.80 0.00 2.00 1.83 0.00 3.72 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 6 K 9.39 4.48 0.00 1.76 1.83 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 7 I 8.22 5.21 1.92 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 1.34 0.61 0.97 0.00 0.00 8 Q 9.43 4.95 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 9 V 8.43 5.13 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 1.03 0.00 0.00 1.03 0.00 0.00 10 Y 8.42 5.26 0.00 3.18 3.16 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 0.00 0.00 0.00 0.00 11 S 9.14 4.97 0.00 4.32 4.09 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 12 R 9.05 4.14 0.00 1.85 2.26 0.00 3.24 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 13 H 8.59 5.05 0.00 3.23 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.33 0.00 2.10 2.08 0.00 3.78 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 2.09 2.17 0.00 15 A 8.77 4.28 1.63 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 0.00 0.00 16 E 8.56 4.65 0.00 1.98 1.82 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 2.30 2.50 0.00 17 N 8.88 4.67 0.00 2.72 2.80 0.00 0.00 7.22 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 18 G 9.22 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 19 K 7.55 4.54 0.00 1.79 1.67 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.31 7.81 20 S 8.29 4.08 0.00 3.76 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 21 N 8.22 4.81 0.00 2.52 2.40 0.00 0.00 7.10 7.44 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 22 F 8.92 5.27 0.00 3.00 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 23 L 8.73 4.12 0.00 0.27 0.67 -0.29 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.68 5.38 0.00 1.44 2.05 0.00 0.00 5.96 7.70 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 25 C 9.33 5.37 0.00 2.92 2.97 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 26 Y 9.45 5.45 0.00 3.40 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 27 V 8.70 5.16 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 0.69 0.00 0.00 1.17 0.00 0.00 28 S 9.01 4.98 0.00 3.87 3.43 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 29 G 8.52 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 30 F 7.33 5.29 0.00 3.04 3.20 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 31 H 8.96 5.27 0.00 3.30 3.22 0.00 5.58 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 32 P 0.00 4.97 0.00 2.17 2.18 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 33 S 8.52 4.11 0.00 3.21 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 34 D 7.91 4.37 0.00 2.64 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 35 I 7.87 4.56 1.46 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.39 0.77 0.00 0.00 36 E 8.94 4.62 0.00 1.97 1.65 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 0.00 2.08 2.13 0.00 37 V 7.97 4.53 0.67 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 0.36 0.00 0.00 0.44 0.00 0.00 38 D 8.92 4.95 0.00 2.50 2.43 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 39 L 8.35 5.04 0.00 1.57 1.53 0.88 0.49 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 40 L 9.05 5.19 0.00 1.53 1.51 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.91 4.27 0.00 1.76 1.58 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 0.74 7.81 42 N 10.00 4.08 0.00 2.73 2.77 0.00 0.00 7.14 7.78 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 43 G 8.38 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 *44 E 7.88 4.50 0.00 1.90 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 2.17 2.10 0.00 45 R 8.51 4.30 0.00 1.74 1.87 0.00 3.33 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 46 I 8.65 4.04 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.92 0.00 0.00 *47 E 8.78 4.17 0.00 1.99 1.85 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 2.21 1.86 0.00 48 K 7.70 4.30 0.00 1.70 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.36 7.81 49 V 7.40 4.45 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 0.98 0.00 0.00 1.00 0.00 0.00 50 E 8.36 4.58 0.00 1.16 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 2.09 2.32 0.00 51 H 7.74 5.18 0.00 2.23 1.73 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.78 4.50 0.00 4.00 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 53 D 8.54 4.46 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 54 L 8.55 3.95 0.00 1.61 1.62 0.78 0.56 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 55 S 8.24 4.71 0.00 3.78 2.85 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 56 F 7.47 5.19 0.00 2.89 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.18 4.69 0.00 4.10 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 *58 K 8.57 3.91 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.01 7.81 59 D 7.77 4.47 0.00 2.77 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 60 W 7.87 3.66 0.00 3.26 3.04 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 0.00 0.00 0.00 61 S 8.15 4.34 0.00 3.97 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 62 F 8.51 4.97 0.00 1.64 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 63 Y 8.30 5.31 0.00 2.87 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 64 L 9.38 5.09 0.00 1.90 1.62 1.19 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.33 5.35 0.00 2.09 1.76 1.15 0.77 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 66 Y 9.34 5.02 0.00 3.14 2.87 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 67 Y 8.58 5.43 0.00 3.06 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 68 T 8.94 5.06 4.22 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 1.10 0.00 0.00 69 E 8.59 3.92 0.00 1.71 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.91 0.00 70 F 8.95 4.84 0.00 2.81 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 71 T 8.23 4.51 4.16 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 0.00 0.00 0.00 1.11 0.00 0.00 72 P 0.00 4.61 0.00 2.23 2.15 0.00 3.37 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 2.08 1.60 0.00 73 T 8.63 4.94 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 1.44 0.00 0.00 *74 E 9.03 4.13 0.00 2.03 1.86 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 2.23 1.88 0.00 75 K 7.27 4.54 0.00 1.86 1.97 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 76 D 8.20 4.58 0.00 2.91 2.62 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 0.00 0.00 0.00 0.00 77 E 9.27 4.98 0.00 1.87 1.88 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 2.35 2.26 0.00 78 Y 8.88 5.39 0.00 3.06 2.75 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 0.00 0.00 0.00 79 A 8.92 5.17 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 80 C 9.40 5.35 0.00 2.96 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 81 R 9.17 5.08 0.00 1.80 1.67 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 82 V 8.88 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 0.85 0.00 0.00 0.82 0.00 0.00 83 N 8.76 5.32 0.00 2.74 2.60 0.00 0.00 6.13 8.81 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 84 H 8.41 4.94 0.00 3.02 3.04 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.13 3.59 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 0.71 0.00 0.00 0.91 0.00 0.00 86 T 7.99 4.17 4.32 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 1.35 0.00 0.00 87 L 7.78 4.77 0.00 1.63 1.82 0.92 0.76 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 88 S 8.76 4.31 0.00 3.98 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 89 Q 7.57 4.72 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 90 P 0.00 4.49 0.00 1.91 1.95 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 91 K 8.97 4.49 0.00 1.85 1.64 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.44 7.81 92 I 8.41 4.90 1.88 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 1.22 0.76 0.93 0.00 0.00 93 V 8.68 4.41 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 1.09 0.00 0.00 0.97 0.00 0.00 94 K 8.73 4.74 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.20 4.56 0.00 3.30 3.43 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 96 D 8.43 4.49 0.00 2.58 2.39 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 97 R 7.80 3.70 0.00 1.86 1.21 0.00 2.99 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.00 98 D 8.18 4.95 0.00 2.59 2.62 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 0.00 0.00 0.00 0.00 99 M 7.95 4.40 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.