NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1592 8.2649 123.5839 51.7391 19.4976 179.3607 *2 K 4.1254 9.1167 116.7107 56.4027 33.7185 174.7079 3 K 4.3066 8.9615 125.8839 55.8193 33.2698 175.2898 4 I 4.8752 8.3373 127.6499 59.4773 40.3172 174.0798 5 E 4.9303 9.2689 127.3086 54.5600 33.1848 173.8016 6 I 4.9704 8.8091 127.7989 59.6536 40.3420 174.6607 7 F 4.7875 9.5316 126.2680 55.7660 40.2008 175.1868 8 D 5.0670 9.2275 124.4021 53.2266 41.5843 174.6378 9 P 4.6580 0.0000 0.0000 62.1865 32.8958 175.6465 10 A 4.2215 8.3054 121.9094 52.7575 18.6317 178.0087 *12 C 4.4607 8.6489 116.1591 59.4209 30.2194 172.6022 13 C 4.8936 7.4619 112.9125 53.5171 43.9028 173.1160 14 P 4.0852 0.0000 0.0000 65.2461 30.9679 177.8195 15 T 4.1288 7.9070 106.2127 61.2855 69.4911 175.8243 16 G 3.8994 7.8782 110.1483 45.7498 0.0000 174.0749 17 L 4.4728 7.5691 121.1342 54.1379 40.5394 176.1760 18 C 4.7684 7.9379 113.4433 56.7679 42.0358 174.3424 19 G 4.2281 7.4832 108.4196 44.4559 0.0000 172.1878 20 T 3.9496 8.6292 114.8984 66.4726 68.7191 174.8723 21 N 4.4760 7.9322 119.6008 52.4158 38.2902 175.0233 22 I 3.8893 8.1830 125.6493 60.2694 37.0712 175.7324 23 N 4.4143 8.6457 125.2755 52.9170 39.0849 173.0137 24 P 4.4104 0.0000 0.0000 65.6134 32.0768 177.7505 25 E 4.1298 8.4540 117.5633 59.5524 29.6794 180.0416 26 L 3.9251 8.2738 116.5539 55.1393 41.2711 179.1195 *28 R 4.1525 8.1697 120.5206 56.4328 31.7548 177.3850 29 I 3.7328 7.7124 117.0445 63.6274 37.7140 177.6808 30 A 3.9225 8.0413 122.1021 54.9915 18.0980 179.7856 31 V 3.4721 7.6356 116.3231 65.9299 31.6106 178.0283 32 V 3.5608 7.7477 118.0356 66.3563 31.2491 178.1493 33 I 3.7296 7.8654 119.2765 64.2522 36.8968 178.2951 34 E 3.9432 8.4010 119.6521 59.6264 28.8382 179.6100 35 S 4.1412 8.3032 115.3041 61.5076 62.8240 176.7528 36 L 4.0256 8.2624 122.0500 57.7409 41.3403 179.4749 37 K 4.1328 8.2782 121.1484 58.9407 31.8743 178.8716 38 K 3.9565 8.0065 117.9078 59.2387 31.9876 178.2270 39 Q 4.4225 7.4423 114.7162 55.4793 28.7991 176.7202 40 G 3.8806 8.0565 108.2479 45.5751 0.0000 173.4096 41 I 4.2481 7.8565 121.5456 59.4787 38.2404 174.7341 42 I 4.3997 8.2890 126.6909 59.7110 37.9284 175.2188 43 V 4.4255 8.2458 126.7414 61.4687 32.2806 175.1507 44 T 4.4973 8.0190 119.2772 60.9636 70.4984 174.0350 45 R 4.9949 8.1912 118.7074 54.8758 33.0303 173.7585 46 H 5.0204 8.8748 116.1497 53.9960 33.5412 171.9270 47 N 5.2733 8.6288 118.8406 51.6428 40.7020 174.8165 48 L 3.2061 8.3406 128.4116 57.9713 42.0911 178.4273 49 R 4.0000 8.6401 118.9938 58.7388 30.1001 176.7679 50 D 4.7814 8.0007 114.8249 54.6373 42.5778 175.9529 51 E 5.0839 8.0061 118.0885 52.8036 30.3486 175.2657 52 P 4.2658 0.0000 0.0000 65.8692 31.4121 178.3552 53 Q 4.0891 8.1982 116.1994 59.3383 28.4673 178.9517 54 V 3.9230 7.8271 121.7864 63.9093 31.3370 177.7859 55 Y 4.0232 8.1342 116.5540 59.8550 37.7170 177.3697 56 V 4.3292 7.8491 119.6246 64.3235 32.3600 177.4848 57 S 4.4681 8.3639 113.9900 59.6544 63.0480 173.3139 58 N 4.6229 7.9509 122.2620 52.7205 38.9278 175.2718 59 K 3.9338 8.7361 127.4914 59.8664 32.2987 178.5990 60 T 3.8195 7.8157 115.5323 66.6331 68.3454 176.6335 61 V 3.3698 8.1504 120.3460 65.8245 31.4164 177.4789 62 N 4.2948 8.5017 117.1599 56.9443 38.9280 176.4407 63 D 4.4588 8.5580 120.6042 57.3917 40.8125 178.7010 64 F 4.0719 8.0416 121.2737 61.2648 39.4438 177.3571 65 L 4.1057 8.5605 119.1277 57.7422 41.1494 179.3671 66 Q 4.0154 8.2309 117.9095 58.6852 28.6651 178.7128 67 K 3.8970 7.6181 119.1696 59.3594 32.4816 177.9278 68 H 4.6974 8.0560 112.9435 53.8790 30.1195 175.7780 69 G 4.0342 8.2017 106.8858 44.8244 0.0000 174.5170 70 A 4.0904 8.3789 121.0644 54.7770 18.3979 179.5085 71 D 4.5033 8.0499 114.0584 56.4315 41.2138 177.4184 72 A 4.6801 8.1815 121.8090 53.8085 18.7118 177.4647 73 L 4.6659 7.6192 116.2985 53.9450 42.7073 175.5674 74 P 4.7762 0.0000 0.0000 62.8487 33.0852 174.8488 75 I 4.8255 8.6303 122.8218 59.8824 40.2629 174.5018 76 T 5.0979 8.9821 123.2159 61.8388 71.2006 173.0791 77 L 4.9484 9.0568 126.9369 53.1554 44.3236 175.6687 78 V 4.2814 8.2970 123.1628 61.2710 34.0045 175.3262 79 D 4.1277 9.9461 129.7675 55.4360 38.8680 175.1343 80 G 3.9302 8.3066 105.2009 45.4886 0.0000 173.6595 81 E 4.5705 7.5832 119.4463 53.8861 31.6743 175.5512 82 I 3.8297 8.1874 122.7605 61.9673 37.3963 175.4876 83 A 4.6366 8.8102 127.3753 52.5634 21.3800 176.6725 84 V 4.6565 7.4216 113.5628 61.6618 35.2878 173.8797 85 S 5.2692 8.0787 119.4863 57.1851 66.1457 172.9400 86 Q 4.3154 9.5395 122.7897 55.8373 27.6984 173.9786 87 T 4.7722 7.1458 103.6052 59.3889 71.9930 172.8474 88 Y 4.2312 8.2035 119.2386 56.7799 38.6785 174.3050 89 P 4.5799 0.0000 0.0000 62.8463 32.0652 176.7487 90 T 4.2053 8.3061 111.6817 61.4127 69.5537 174.9267 91 T 3.9027 8.4005 119.2793 66.7022 68.9326 175.8636 92 K 3.9182 8.1290 121.9830 59.7214 32.3585 179.4113 93 Q 3.4222 7.7910 114.5852 56.5587 28.3694 178.3999 *95 S 4.5306 8.1159 113.7879 58.5230 64.4949 175.7616 96 E 3.9799 8.1104 119.9062 59.2093 28.8370 179.4043 97 W 4.3965 8.0745 118.4474 58.8705 29.2230 177.6073 98 T 4.5750 7.3868 105.6005 60.4883 69.4075 175.4572 99 G 3.8685 7.9161 109.2200 45.8462 0.0000 173.0758 100 V 4.1442 7.3403 119.6499 60.4267 32.8261 174.4908 101 N 4.5898 8.7445 125.8621 54.0241 38.4538 173.7969 102 L 4.6106 8.2519 125.1511 54.4789 42.2065 176.5990 103 D 4.5510 8.0110 124.5892 55.0243 40.7760 176.5979 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 A 8.26 4.16 1.11 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 0.00 0.00 *2 K 9.12 4.13 0.00 1.99 1.70 0.00 1.85 0.00 0.00 1.44 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.43 7.81 3 K 8.96 4.31 0.00 1.81 1.63 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81 4 I 8.34 4.88 1.91 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.97 1.00 0.00 0.00 5 E 9.27 4.93 0.00 1.97 1.80 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 1.95 2.21 0.00 6 I 8.81 4.97 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 1.14 0.00 0.00 7 F 9.53 4.79 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.23 5.07 0.00 2.83 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 9 P 0.00 4.66 0.00 2.12 2.05 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 10 A 8.31 4.22 1.19 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 0.00 0.00 0.00 *12 C 8.65 4.46 0.00 3.01 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 13 C 7.46 4.89 0.00 3.06 3.14 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 0.00 14 P 0.00 4.09 0.00 2.05 2.15 0.00 3.66 0.00 0.00 3.71 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 15 T 7.91 4.13 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 1.18 0.00 0.00 16 G 7.88 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 0.00 0.00 0.00 17 L 7.57 4.47 0.00 1.64 1.64 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.94 4.77 0.00 2.94 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 19 G 7.48 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 0.00 0.00 0.00 0.00 20 T 8.63 3.95 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 21 N 7.93 4.48 0.00 2.72 2.79 0.00 0.00 6.93 7.45 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 22 I 8.18 3.89 1.87 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 1.29 0.73 0.90 0.00 0.00 23 N 8.65 4.41 0.00 2.70 2.75 0.00 0.00 7.27 7.69 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 24 P 0.00 4.41 0.00 2.09 2.10 0.00 3.75 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 2.03 2.11 0.00 25 E 8.45 4.13 0.00 2.23 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 0.00 2.45 2.37 0.00 26 L 8.27 3.93 0.00 1.81 1.73 0.95 0.49 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 *28 R 8.17 4.15 0.00 1.94 2.08 0.00 3.16 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 29 I 7.71 3.73 1.66 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.38 0.00 0.00 30 A 8.04 3.92 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 31 V 7.64 3.47 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 1.09 0.00 0.00 0.91 0.00 0.00 32 V 7.75 3.56 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 1.08 0.00 0.00 0.97 0.00 0.00 33 I 7.87 3.73 1.85 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 1.53 0.66 0.89 0.00 0.00 34 E 8.40 3.94 0.00 2.22 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 2.31 2.48 0.00 35 S 8.30 4.14 0.00 3.98 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 36 L 8.26 4.03 0.00 1.84 1.85 0.96 0.85 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 37 K 8.28 4.13 0.00 1.89 1.98 0.00 1.68 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.33 7.81 38 K 8.01 3.96 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 Q 7.44 4.42 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.90 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 40 G 8.06 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 41 I 7.86 4.25 2.01 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 1.31 1.32 0.94 0.00 0.00 42 I 8.29 4.40 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 1.29 0.81 0.89 0.00 0.00 43 V 8.25 4.43 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 0.84 0.00 0.00 0.97 0.00 0.00 44 T 8.02 4.50 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 1.16 0.00 0.00 45 R 8.19 4.99 0.00 1.84 1.83 0.00 2.95 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 46 H 8.87 5.02 0.00 2.74 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.63 5.27 0.00 2.78 2.70 0.00 0.00 6.60 6.66 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 48 L 8.34 3.21 0.00 0.96 1.46 0.26 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.64 4.00 0.00 1.79 2.01 0.00 3.29 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 50 D 8.00 4.78 0.00 2.73 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 51 E 8.01 5.08 0.00 2.20 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 2.27 2.28 0.00 52 P 0.00 4.27 0.00 2.18 2.09 0.00 3.64 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 2.13 2.14 0.00 53 Q 8.20 4.09 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 54 V 7.83 3.92 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 1.05 0.00 0.00 0.89 0.00 0.00 55 Y 8.13 4.02 0.00 3.16 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 56 V 7.85 4.33 2.25 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 0.95 0.00 0.00 1.05 0.00 0.00 57 S 8.36 4.47 0.00 4.09 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 58 N 7.95 4.62 0.00 2.80 2.60 0.00 0.00 6.68 6.61 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 59 K 8.74 3.93 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.52 7.81 60 T 7.82 3.82 4.26 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 1.11 0.00 0.00 61 V 8.15 3.37 1.59 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 0.71 0.00 0.00 -0.28 0.00 0.00 62 N 8.50 4.29 0.00 3.11 2.81 0.00 0.00 7.28 8.53 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 63 D 8.56 4.46 0.00 2.71 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 64 F 8.04 4.07 0.00 3.20 3.12 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 65 L 8.56 4.11 0.00 1.77 1.77 1.11 0.98 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 66 Q 8.23 4.02 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 67 K 7.62 3.90 0.00 1.68 1.47 0.00 1.41 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.82 1.22 7.81 68 H 8.06 4.70 0.00 2.89 3.18 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.20 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 70 A 8.38 4.09 1.32 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 0.00 0.00 0.00 71 D 8.05 4.50 0.00 2.70 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 72 A 8.18 4.68 1.61 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 73 L 7.62 4.67 0.00 1.74 1.72 1.02 1.40 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 74 P 0.00 4.78 0.00 1.70 1.77 0.00 3.53 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 1.56 0.44 0.00 75 I 8.63 4.83 1.81 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 0.94 0.61 0.62 0.00 0.00 76 T 8.98 5.10 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 1.29 0.00 0.00 77 L 9.06 4.95 0.00 1.59 1.51 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.30 4.28 1.51 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 0.35 0.00 0.00 -0.39 0.00 0.00 79 D 9.95 4.13 0.00 2.66 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 80 G 8.31 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 81 E 7.58 4.57 0.00 1.94 1.77 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 2.17 2.18 0.00 82 I 8.19 3.83 1.67 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.27 0.42 0.00 0.00 83 A 8.81 4.64 1.01 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 84 V 7.42 4.66 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 0.99 0.00 0.00 1.19 0.00 0.00 85 S 8.08 5.27 0.00 4.05 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 9.54 4.32 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 87 T 7.15 4.77 4.26 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 1.22 0.00 0.00 88 Y 8.20 4.23 0.00 3.11 3.01 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 89 P 0.00 4.58 0.00 2.17 2.20 0.00 3.95 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 90 T 8.31 4.21 4.18 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 1.18 0.00 0.00 91 T 8.40 3.90 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 1.17 0.00 0.00 92 K 8.13 3.92 0.00 1.70 1.68 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.40 7.81 93 Q 7.79 3.42 0.00 1.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.17 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 *95 S 8.12 4.53 0.00 3.92 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 96 E 8.11 3.98 0.00 1.87 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 2.27 2.33 0.00 97 W 8.07 4.40 0.00 3.41 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 98 T 7.39 4.58 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 1.33 0.00 0.00 99 G 7.92 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 0.00 100 V 7.34 4.14 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 0.94 0.00 0.00 0.99 0.00 0.00 101 N 8.74 4.59 0.00 2.69 2.74 0.00 0.00 7.08 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 0.00 102 L 8.25 4.61 0.00 1.63 1.62 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.01 4.55 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.