NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3192 8.2644 123.5805 52.4257 19.7725 176.0009 2 S 4.2438 8.2518 110.2399 56.6480 64.4409 172.2911 3 A 3.7340 8.4229 127.7447 50.7092 16.3419 178.1963 4 A 5.6952 7.6936 134.5582 51.8762 21.7645 177.9676 5 K 4.4513 6.7982 115.1408 55.9571 31.1534 176.3461 6 G 3.6454 8.9034 122.4770 46.7389 0.0000 177.3854 7 D 3.4000 8.4754 114.7944 52.3428 43.4528 174.9185 8 H 3.9827 9.3089 119.8414 57.0251 28.3455 176.5750 9 G 3.4462 8.6700 107.3489 46.5378 0.0000 173.6543 10 G 3.7149 6.9163 105.5537 45.8794 0.0000 170.6487 *12 G 3.8650 7.5927 106.5864 45.3571 0.0000 172.7663 13 A 4.1157 8.7033 119.4030 55.3801 18.2832 179.9300 14 R 3.9199 8.0741 116.6459 59.9324 30.1742 178.7348 15 T 3.9103 7.9015 114.9755 66.5635 68.5507 176.6380 16 W 4.0366 8.1942 120.5260 59.2292 28.9541 178.6497 17 R 3.9563 8.2251 119.3000 59.0803 29.5003 178.0550 18 F 4.3039 8.3912 120.5981 61.5398 39.2883 177.1893 19 L 3.9855 8.1978 118.6050 57.7813 41.3437 179.5954 20 T 3.7731 7.8751 115.7856 66.7767 68.2159 176.5828 21 F 4.9417 8.1125 117.7969 59.4927 39.2452 177.6763 22 G 4.0934 8.6485 104.4339 45.4415 0.0000 173.5253 23 L 4.5124 7.6908 119.6751 56.2380 44.1652 177.7685 24 A 3.9860 8.2206 120.3211 55.4277 18.2023 179.5791 25 L 3.9805 8.5436 117.1201 57.4462 41.7070 178.1309 26 P 4.2763 0.0000 0.0000 65.6537 31.2787 178.8199 27 S 4.1006 8.0671 113.9799 61.5493 62.7382 176.8915 28 V 3.5723 7.7901 120.8018 65.6794 31.2458 178.0252 29 A 3.9820 8.2240 120.9727 55.0701 18.2178 179.6067 30 L 3.9232 8.1153 117.6844 58.3063 41.7298 179.6969 31 C 4.1983 8.1280 116.3866 62.8568 27.9155 176.3138 32 T 3.5490 7.8109 117.6823 65.9570 67.7234 176.6373 33 L 3.9203 7.5884 121.6951 58.0883 42.6229 177.8827 34 N 4.2790 8.3943 117.3301 56.9556 38.8860 176.9648 35 S 4.0013 7.9297 116.0382 61.0612 63.5991 175.9421 36 W 5.2944 7.8642 120.6552 55.5705 27.1526 175.5511 37 L 4.7811 7.4591 120.7850 57.1455 48.6157 175.6030 38 H 4.8524 8.0863 112.2386 56.2270 30.1078 177.1665 39 S 4.6164 7.4374 115.1807 56.3897 62.1154 174.0340 40 G 3.7930 9.2365 115.1098 44.5115 0.0000 172.5597 41 H 4.2699 8.6577 121.7529 56.1939 28.9931 175.3382 42 R 4.1642 8.4641 124.1668 54.9759 30.8317 175.7742 43 E 3.8629 8.8591 123.1029 56.1862 29.6617 176.8231 44 R 4.0284 8.5350 123.4426 55.6413 29.8406 174.8954 45 P 4.4479 0.0000 0.0000 62.0176 32.1550 175.9232 46 A 4.1637 8.5362 122.7045 52.5792 18.7736 177.3571 47 F 4.5330 8.9782 124.5054 58.0291 40.1854 174.8132 48 I 3.9424 7.1314 127.2159 58.7725 40.4439 175.1685 49 P 4.2011 0.0000 0.0000 61.7922 29.5106 176.7850 50 Y 4.2947 7.2363 116.5774 58.8173 38.6907 178.0568 51 H 4.4112 9.0342 120.8080 58.0354 29.1786 175.7906 52 H 4.6842 8.3635 113.1147 55.5228 28.9827 174.2758 53 L 4.7355 7.1330 118.3869 53.1296 44.8652 175.5562 54 R 3.8395 8.6294 115.4438 57.0447 27.6548 177.3873 55 I 3.7828 7.7161 116.5196 61.9281 37.7764 177.2624 56 R 4.2756 8.1809 123.2425 55.1400 31.4254 174.4925 57 T 4.3466 7.8743 111.7959 61.3801 70.3062 175.2329 58 K 4.2969 7.1955 121.0389 54.3731 35.0112 173.0069 59 P 4.2225 0.0000 0.0000 62.2951 32.1454 176.2589 60 F 3.9178 7.9593 119.3672 57.7326 39.1210 175.8728 61 S 4.4504 8.0307 118.8643 58.1669 62.9694 173.9429 62 W 5.2106 7.8912 116.1512 55.6475 31.8710 175.6053 63 G 3.7097 8.5466 108.3549 47.4236 0.0000 174.0711 64 D 4.5719 8.9018 124.1801 52.8783 39.8157 177.7737 65 G 3.8148 8.4308 108.6075 46.0112 0.0000 174.3228 66 N 4.9448 8.6155 116.2150 53.2563 39.9222 173.4057 67 H 4.8751 7.9922 114.5213 54.4534 30.8989 174.4802 68 T 3.5084 8.3121 114.0132 61.0232 69.5255 174.8042 69 F 3.2554 9.0226 124.7256 60.8569 39.3287 176.7650 70 F 4.8737 7.6554 117.0701 56.3963 39.2824 175.6777 71 H 4.1321 7.8629 120.1033 56.7147 30.3766 173.5878 72 N 4.8120 9.5036 125.5339 51.0041 39.6556 172.6191 73 P 4.3198 0.0000 0.0000 65.7473 31.7053 178.1879 74 R 4.0352 8.0681 117.0418 58.5409 30.0136 177.3389 75 V 4.4276 7.7520 107.2327 60.7039 33.7037 175.0245 76 N 4.8115 8.6452 118.0392 50.6304 38.2144 172.9384 77 P 4.1249 0.0000 0.0000 61.9829 32.3136 176.3362 78 L 4.3924 7.7832 120.1591 52.8589 42.8492 176.2033 79 P 4.2883 0.0000 0.0000 65.7200 31.1274 177.6514 80 T 4.2875 7.5408 105.4255 60.8803 69.3353 172.9730 81 G 2.0116 7.2611 108.8353 43.5408 0.0000 173.1909 82 Y 4.3442 7.4979 116.1653 57.9626 38.2955 176.3895 83 E 4.4057 8.4692 121.5097 55.0845 30.9182 177.0816 84 K 4.0491 8.6486 118.6742 57.2488 32.0875 177.0600 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 A 8.26 4.32 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 2 S 8.25 4.24 0.00 3.82 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 3 A 8.42 3.73 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 4 A 7.69 5.70 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 5 K 6.80 4.45 0.00 1.61 0.74 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.31 7.81 6 G 8.90 3.65 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 0.00 0.00 0.00 7 D 8.48 3.40 0.00 2.62 2.59 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 8 H 9.31 3.98 0.00 3.49 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.67 3.45 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 0.00 10 G 6.92 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 G 7.59 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 13 A 8.70 4.12 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 14 R 8.07 3.92 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 15 T 7.90 3.91 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 0.77 0.00 0.00 16 W 8.19 4.04 0.00 3.46 3.28 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 17 R 8.23 3.96 0.00 2.11 2.21 0.00 3.23 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 18 F 8.39 4.30 0.00 3.30 3.05 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 19 L 8.20 3.99 0.00 1.78 1.60 -0.09 0.31 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 20 T 7.88 3.77 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 0.73 0.00 0.00 21 F 8.11 4.94 0.00 3.10 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 22 G 8.65 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 0.00 0.00 0.00 23 L 7.69 4.51 0.00 1.65 1.73 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.22 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 25 L 8.54 3.98 0.00 1.79 1.82 1.07 1.10 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 26 P 0.00 4.28 0.00 2.19 2.13 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 27 S 8.07 4.10 0.00 4.09 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 28 V 7.79 3.57 2.23 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 0.98 0.00 0.00 0.98 0.00 0.00 29 A 8.22 3.98 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 30 L 8.12 3.92 0.00 1.81 1.71 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.13 4.20 0.00 2.96 2.86 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 32 T 7.81 3.55 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 1.05 0.00 0.00 33 L 7.59 3.92 0.00 1.84 1.85 0.94 0.81 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 34 N 8.39 4.28 0.00 2.68 2.84 0.00 0.00 7.34 6.85 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 35 S 7.93 4.00 0.00 3.42 3.33 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 36 W 7.86 5.29 0.00 3.31 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 37 L 7.46 4.78 0.00 1.82 1.88 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.09 4.85 0.00 3.22 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.44 4.62 0.00 4.13 3.27 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 0.00 40 G 9.24 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 41 H 8.66 4.27 0.00 3.14 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.46 4.16 0.00 1.84 1.89 0.00 3.27 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 43 E 8.86 3.86 0.00 1.93 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 2.28 2.26 0.00 44 R 8.54 4.03 0.00 1.96 1.88 0.00 2.54 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 45 P 0.00 4.45 0.00 2.32 2.18 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 46 A 8.54 4.16 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 47 F 8.98 4.53 0.00 3.03 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 48 I 7.13 3.94 1.23 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 1.17 0.77 -0.13 0.00 0.00 49 P 0.00 4.20 0.00 1.84 1.95 0.00 3.24 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 50 Y 7.24 4.29 0.00 2.90 2.71 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 0.00 0.00 0.00 0.00 51 H 9.03 4.41 0.00 3.23 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.36 4.68 0.00 3.27 3.38 0.00 5.46 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.13 4.74 0.00 1.66 1.61 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.63 3.84 0.00 1.95 2.02 0.00 3.44 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 55 I 7.72 3.78 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.89 0.00 0.00 56 R 8.18 4.28 0.00 1.66 1.69 0.00 3.17 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 57 T 7.87 4.35 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 1.17 0.00 0.00 58 K 7.20 4.30 0.00 1.59 1.51 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.30 7.81 59 P 0.00 4.22 0.00 2.09 1.92 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 60 F 7.96 3.92 0.00 2.35 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 61 S 8.03 4.45 0.00 4.14 4.02 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 62 W 7.89 5.21 0.00 3.44 3.33 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 63 G 8.55 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.90 4.57 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.43 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 0.00 0.00 0.00 66 N 8.62 4.94 0.00 2.61 2.84 0.00 0.00 6.98 7.57 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 67 H 7.99 4.88 0.00 3.14 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.31 3.51 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 1.33 0.00 0.00 69 F 9.02 3.26 0.00 2.54 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 70 F 7.66 4.87 0.00 3.12 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 71 H 7.86 4.13 0.00 3.27 3.29 0.00 5.89 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 72 N 9.50 4.81 0.00 2.68 2.80 0.00 0.00 6.79 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 73 P 0.00 4.32 0.00 2.10 2.19 0.00 3.73 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 2.07 2.20 0.00 74 R 8.07 4.04 0.00 1.83 1.92 0.00 3.29 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 75 V 7.75 4.43 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 0.82 0.00 0.00 1.01 0.00 0.00 76 N 8.65 4.81 0.00 2.64 2.83 0.00 0.00 6.99 8.22 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 77 P 0.00 4.12 0.00 1.29 0.49 0.00 3.74 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 1.91 1.81 0.00 78 L 7.78 4.39 0.00 1.71 1.54 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.29 0.00 2.03 2.15 0.00 3.62 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 2.16 2.24 0.00 80 T 7.54 4.29 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 1.21 0.00 0.00 81 G 7.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.50 4.34 0.00 2.93 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 83 E 8.47 4.41 0.00 2.03 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 2.31 2.35 0.00 84 K 8.65 4.05 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.