NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 3.9755 8.2549 120.8043 55.7371 31.9935 175.2378 6 I 2.3024 6.7651 118.1872 58.2854 37.0527 173.3026 7 P 4.1180 0.0000 0.0000 62.6207 32.3187 177.0740 8 K 3.8635 8.6607 119.9821 59.7133 32.0214 177.6890 9 N 4.7410 8.1500 113.0949 53.4010 37.9024 175.0283 10 W 4.8217 8.3139 120.0287 56.7173 30.3520 175.3583 11 T 4.8860 8.5210 116.1104 59.9557 70.6397 173.0015 12 I 3.6474 7.4954 127.2204 61.5927 36.7232 176.0241 13 Q 4.2134 8.8726 127.4560 57.9739 29.6345 176.7916 14 R 4.5475 7.4580 114.7345 55.3084 34.5050 174.0101 15 S 5.1283 8.6601 118.4477 56.9908 66.0619 173.5451 16 T 4.4406 8.3773 118.4158 60.3485 68.6930 172.7259 17 P 4.2940 0.0000 0.0000 61.7898 33.1189 175.3887 18 F 4.4004 8.1652 118.3064 57.7383 39.4850 175.2727 19 F 5.5004 9.1999 122.1636 56.1456 42.2623 174.6300 20 T 5.4775 9.1525 111.0275 58.9208 72.4501 174.4032 21 K 4.2259 8.9764 121.4182 58.6583 32.3734 177.1715 22 D 4.6165 7.9669 117.9425 56.4076 41.0658 176.7760 23 N 4.9999 8.0106 112.4304 51.7513 38.4118 174.7728 24 V 3.2107 7.7581 119.8219 61.2277 31.9271 174.4454 25 P 4.2334 0.0000 0.0000 62.5712 31.7139 177.2979 26 E 4.0901 8.7590 121.3448 58.7819 29.1642 179.2999 27 A 4.0119 7.9011 120.7754 54.6966 18.4840 179.0724 28 L 3.7765 7.8616 117.2876 56.8881 41.6565 178.7842 29 L 4.5241 7.7183 117.1005 55.6541 41.8791 175.9135 30 T 4.8111 7.0861 107.3575 59.1695 72.2229 173.2505 31 H 4.2562 8.7543 117.7674 57.2899 29.0876 174.6369 32 H 4.6972 8.6339 115.9323 55.2365 31.9534 172.4303 33 N 5.3458 8.1526 115.9772 50.8350 40.1520 173.6934 34 T 4.4206 8.3671 109.8755 60.7735 71.2093 173.6008 35 A 4.1666 8.2539 123.9043 51.5628 19.0498 177.5755 36 V 3.7312 8.5832 117.1715 65.9640 31.6149 176.7932 37 D 5.2089 7.8521 117.1978 54.1567 41.6383 175.7946 38 V 4.9268 7.9175 117.9060 61.3345 34.3777 174.7121 39 F 4.9494 10.2512 127.5399 56.4273 41.0839 174.8857 40 G 4.4627 9.2856 110.6607 44.6238 0.0000 172.0834 41 Q 5.0829 9.2801 127.1306 54.4237 31.5296 174.3087 42 I 4.7322 8.9480 129.5203 60.8642 38.6583 174.8348 43 C 5.2606 9.2982 125.6203 58.0317 30.7586 173.6552 44 V 4.8138 8.4799 122.7066 61.0743 34.7581 173.6927 *46 E 4.1148 8.4954 123.0744 57.2084 30.6315 176.8430 47 G 4.1280 8.8077 112.3213 45.1074 0.0000 172.0639 48 V 4.8604 8.1487 118.3907 60.0012 35.2692 174.8862 49 V 4.7266 8.7113 123.5591 61.4524 34.2260 174.1010 50 T 4.7342 8.8893 125.4274 62.5354 70.2887 173.0045 51 Y 5.0348 9.3019 129.1841 56.1849 41.2748 173.7757 52 Y 4.9541 8.3749 123.7381 56.2243 41.1550 174.7030 53 G 4.5946 9.0074 112.4403 44.6312 0.0000 172.0972 54 F 5.2202 8.4006 121.0001 55.1012 41.6413 175.4173 55 A 4.3870 9.3299 125.1230 54.3729 18.5634 176.8145 56 N 5.0383 7.6770 110.5904 51.5501 40.2294 174.9256 57 S 2.7900 8.1630 111.9832 59.9687 62.8302 174.6053 58 E 4.1241 7.5153 115.8706 55.5128 30.2844 175.9738 59 A 4.1502 7.2290 121.7644 52.7645 18.9622 177.1179 60 T 4.4047 8.4461 113.7007 62.1327 69.3600 174.3600 61 E 4.6766 8.0295 120.1694 53.8217 31.0432 173.9109 62 P 3.8297 0.0000 0.0000 62.5682 32.0740 175.9735 63 E 4.5117 8.6071 120.1950 56.2536 31.0930 175.3172 64 I 4.2362 6.9799 118.0564 60.2625 41.5968 172.4433 65 K 4.8018 8.8236 130.0055 54.5960 34.6261 175.0003 66 V 4.3410 8.8354 127.8041 61.0016 34.4423 174.1391 67 V 4.4828 8.3745 127.8400 61.7166 32.6736 174.6804 68 I 4.4029 8.7276 129.6084 59.8633 39.4504 175.2912 69 N 5.5184 8.8117 124.7063 50.9609 41.8730 174.1210 70 A 4.3044 7.7129 123.5747 54.2154 18.5970 178.2486 71 G 4.0313 9.4777 111.6893 45.0660 0.0000 172.7549 72 Q 4.9334 7.8699 117.8826 53.9912 32.9373 174.2427 73 F 5.4917 8.0294 113.7593 55.7544 41.1489 173.3893 74 A 4.8512 9.1938 121.2913 50.2947 22.5730 174.9127 75 T 5.1263 8.3714 109.4987 60.0366 71.4746 173.6586 76 S 4.8614 9.3875 121.6644 56.1023 65.1357 172.3238 77 P 4.3875 0.0000 0.0000 61.4584 32.7011 174.2862 78 P 4.4337 0.0000 0.0000 63.6143 31.5382 177.0744 79 Q 3.5039 8.2826 118.9182 56.3581 27.5592 173.0516 80 Y 4.4382 7.6520 120.7602 57.3400 40.0696 174.7041 81 W 4.8018 8.3319 126.3434 56.6070 31.1283 174.8241 82 H 5.2576 8.5753 117.7397 55.7654 31.9976 172.2711 83 R 5.1341 8.6409 114.8592 55.0919 32.9308 173.7230 84 I 5.3906 8.7302 111.5784 59.4395 41.5239 173.8852 85 E 4.9361 9.1405 122.2787 54.6607 33.0059 174.9048 86 L 5.3103 8.4636 122.6962 52.7133 44.7273 176.5177 87 S 4.4122 8.6617 117.4361 57.9212 64.1506 174.8204 88 D 4.3479 8.8683 119.9563 56.7948 41.0625 176.3326 89 D 4.8635 7.9162 116.2294 52.9000 39.8822 175.9048 90 A 4.6778 7.6748 122.0742 52.8451 19.8448 177.4595 91 Q 4.9439 9.0499 122.3221 54.7917 32.1366 173.8710 92 F 5.4211 9.0225 120.4683 56.3546 42.0251 172.3306 93 N 5.0926 9.4028 115.8677 51.4340 41.3832 173.0780 94 I 4.9625 8.2119 119.3891 59.6477 40.6225 174.1865 95 N 5.0066 8.9260 124.2442 51.4639 41.2496 173.7817 96 F 5.3861 8.9890 122.5678 55.8664 41.1916 174.8086 97 W 5.2370 9.8015 124.8294 55.9662 31.6328 175.6814 98 S 3.9267 8.7547 116.5347 57.6768 66.2272 174.1878 99 D 3.9663 7.1234 119.4809 54.0630 41.2161 175.0502 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 5 R 8.25 3.98 0.00 1.66 1.81 0.00 3.26 0.00 0.00 3.54 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 6 I 6.77 2.30 1.08 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.29 0.38 0.00 0.00 7 P 0.00 4.12 0.00 2.27 1.93 0.00 2.69 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.88 0.00 8 K 8.66 3.86 0.00 1.76 1.94 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 9 N 8.15 4.74 0.00 3.00 3.05 0.00 0.00 6.04 8.88 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 10 W 8.31 4.82 0.00 3.53 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 4.89 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 1.29 0.00 0.00 12 I 7.50 3.65 1.32 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 -0.30 -0.36 0.60 0.00 0.00 13 Q 8.87 4.21 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 14 R 7.46 4.55 0.00 1.74 1.85 0.00 3.01 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 15 S 8.66 5.13 0.00 3.57 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 16 T 8.38 4.44 4.45 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 0.87 0.00 0.00 17 P 0.00 4.29 0.00 1.88 1.88 0.00 3.53 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.84 0.00 18 F 8.17 4.40 0.00 2.88 2.84 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 0.00 0.00 0.00 19 F 9.20 5.50 0.00 1.81 2.58 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 20 T 9.15 5.48 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 1.25 0.00 0.00 21 K 8.98 4.23 0.00 1.82 1.94 0.00 2.01 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.54 7.81 22 D 7.97 4.62 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 5.00 0.00 2.89 2.95 0.00 0.00 6.02 7.68 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 24 V 7.76 3.21 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 0.79 0.00 0.00 0.95 0.00 0.00 25 P 0.00 4.23 0.00 1.99 1.90 0.00 2.66 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 26 E 8.76 4.09 0.00 2.00 1.99 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 2.40 2.37 0.00 27 A 7.90 4.01 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 28 L 7.86 3.78 0.00 1.84 1.80 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.72 4.52 0.00 1.75 1.75 0.95 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 30 T 7.09 4.81 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 1.22 0.00 0.00 31 H 8.75 4.26 0.00 2.97 3.50 0.00 5.93 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.63 4.70 0.00 3.02 3.35 0.00 5.23 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 33 N 8.15 5.35 0.00 2.21 1.51 0.00 0.00 6.43 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 34 T 8.37 4.42 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 35 A 8.25 4.17 1.23 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 0.00 0.00 36 V 8.58 3.73 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 0.87 0.00 0.00 0.94 0.00 0.00 37 D 7.85 5.21 0.00 2.66 2.56 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 0.00 0.00 0.00 38 V 7.92 4.93 2.27 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 1.19 0.00 0.00 0.95 0.00 0.00 39 F 10.25 4.95 0.00 3.44 3.08 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 40 G 9.29 4.46 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 0.00 0.00 0.00 41 Q 9.28 5.08 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 42 I 8.95 4.73 1.99 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 1.05 0.00 0.00 43 C 9.30 5.26 0.00 3.16 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 44 V 8.48 4.81 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 1.18 0.00 0.00 1.01 0.00 0.00 *46 E 8.50 4.11 0.00 2.11 1.81 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 2.25 2.49 0.00 47 G 8.81 4.13 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 0.00 0.00 0.00 48 V 8.15 4.86 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 0.72 0.00 0.00 0.95 0.00 0.00 49 V 8.71 4.73 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 0.82 0.00 0.00 0.55 0.00 0.00 50 T 8.89 4.73 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 0.69 0.00 0.00 51 Y 9.30 5.03 0.00 2.93 2.78 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 52 Y 8.37 4.95 0.00 2.85 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 53 G 9.01 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 5.22 0.00 2.82 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 55 A 9.33 4.39 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 56 N 7.68 5.04 0.00 2.73 2.93 0.00 0.00 5.97 7.64 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 57 S 8.16 2.79 0.00 2.72 2.84 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 0.00 0.00 0.00 58 E 7.52 4.12 0.00 1.93 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 2.03 2.17 0.00 59 A 7.23 4.15 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 60 T 8.45 4.40 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 1.22 0.00 0.00 61 E 8.03 4.68 0.00 2.02 1.89 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 2.27 2.40 0.00 62 P 0.00 3.83 0.00 2.03 1.79 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.80 0.00 63 E 8.61 4.51 0.00 2.10 2.22 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 2.49 2.36 0.00 64 I 6.98 4.24 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 1.20 0.00 0.00 65 K 8.82 4.80 0.00 1.75 1.60 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.14 0.84 7.81 66 V 8.84 4.34 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 0.77 0.00 0.00 0.88 0.00 0.00 67 V 8.37 4.48 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 0.87 0.00 0.00 0.88 0.00 0.00 68 I 8.73 4.40 1.92 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 1.15 0.59 0.91 0.00 0.00 69 N 8.81 5.52 0.00 2.72 2.75 0.00 0.00 6.45 7.53 0.00 0.00 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 A 7.71 4.30 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 71 G 9.48 4.03 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 0.00 0.00 0.00 72 Q 7.87 4.93 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 73 F 8.03 5.49 0.00 3.10 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 74 A 9.19 4.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 5.13 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 1.24 0.00 0.00 76 S 9.39 4.86 0.00 3.93 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 77 P 0.00 4.39 0.00 2.02 1.90 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.15 0.00 78 P 0.00 4.43 0.00 1.95 2.03 0.00 3.42 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 1.69 1.56 0.00 79 Q 8.28 3.50 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 80 Y 7.65 4.44 0.00 3.12 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 81 W 8.33 4.80 0.00 3.21 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 82 H 8.58 5.26 0.00 2.67 3.24 0.00 5.24 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 83 R 8.64 5.13 0.00 2.07 2.06 0.00 2.92 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 84 I 8.73 5.39 1.86 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 1.54 0.97 1.02 0.00 0.00 85 E 9.14 4.94 0.00 2.10 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 2.31 2.49 0.00 86 L 8.46 5.31 0.00 1.57 1.63 1.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.66 4.41 0.00 3.94 4.03 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 88 D 8.87 4.35 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.92 4.86 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 4.68 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 91 Q 9.05 4.94 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.58 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 92 F 9.02 5.42 0.00 3.58 3.22 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 93 N 9.40 5.09 0.00 2.66 2.55 0.00 0.00 7.18 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 94 I 8.21 4.96 1.89 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.11 0.35 0.00 0.00 95 N 8.93 5.01 0.00 2.83 2.46 0.00 0.00 6.52 8.87 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 96 F 8.99 5.39 0.00 3.12 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 97 W 9.80 5.24 0.00 3.64 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 98 S 8.75 3.93 0.00 3.81 3.51 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 99 D 7.12 3.97 0.00 1.58 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.