NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2406 8.2544 117.2805 56.1002 29.7370 173.9477 6 S 4.3564 8.3517 118.5284 56.0936 63.4076 172.0939 7 I 3.9128 8.6440 131.0610 60.7602 38.2341 174.9200 8 A 4.1952 8.4207 129.0029 51.4891 19.2666 176.9073 9 I 4.1424 8.0869 123.8335 60.0930 36.7649 175.3800 10 D 4.5149 8.6876 126.5423 56.7439 41.4873 176.6084 11 S 4.6845 7.5231 110.1317 57.1788 65.5337 172.7924 12 Y 4.7304 8.4420 122.6835 55.9294 40.9125 174.0869 13 Q 4.2225 8.3546 128.3824 54.2630 30.2381 174.3280 14 E 3.8523 8.1928 126.5012 57.9489 30.3574 176.3959 15 D 4.5587 7.5854 116.9493 52.8308 41.6415 174.1696 16 P 4.3134 0.0000 0.0000 63.2258 31.1825 175.4185 17 S 4.4593 7.7890 116.0558 58.1359 66.7461 174.5136 18 V 4.2584 7.3241 115.7646 58.8195 33.6779 175.6949 19 V 4.2155 7.8357 120.0162 61.0941 34.1052 174.9887 20 V 4.0225 8.2777 126.7663 61.3684 31.5035 174.7013 21 S 4.3061 8.2169 122.0732 56.7131 63.4884 172.8334 22 N 4.8601 8.1199 124.4042 51.9644 41.6572 173.1765 23 F 4.5918 9.0751 125.0347 57.3034 38.2569 178.2598 24 F 5.0819 8.3119 122.0386 55.2187 41.4102 174.3675 25 K 3.9947 8.7156 121.4215 58.1365 32.0830 177.6051 26 G 3.9751 9.0084 111.8580 45.2362 0.0000 173.5327 27 V 3.0830 6.8964 119.0001 61.5482 31.3832 175.8976 28 R 4.3469 8.3341 121.7340 54.4089 31.9373 174.9977 29 V 4.2022 8.0715 123.2051 59.9183 33.1286 173.6207 30 P 4.2993 0.0000 0.0000 62.5197 31.8128 176.9956 31 K 3.8629 8.9088 123.6804 59.9043 32.0638 177.5761 32 D 4.4739 7.9960 116.8207 56.7712 41.0938 176.8965 33 T 3.7364 7.7082 116.1854 64.0163 68.7442 173.0271 34 E 4.7123 8.4486 125.5658 54.5406 31.4975 175.3320 35 F 5.0471 8.7373 120.9420 55.7192 42.4354 174.5081 36 Q 4.6100 8.6184 120.3869 53.9665 32.0998 174.6484 37 L 4.7117 8.0541 122.0900 53.3036 44.2165 175.2098 38 Y 4.7007 8.4941 122.2738 55.9585 40.9845 174.6103 39 K 4.5782 8.5108 125.1248 54.0138 34.2984 175.5379 40 K 4.1466 8.4723 127.0950 55.9953 32.8238 176.6241 41 R 4.0391 8.4555 125.5094 56.0908 30.4992 176.2335 42 K 4.4288 8.2967 123.5528 54.9446 34.5336 175.4785 43 Q 4.2800 8.5800 125.8046 55.6875 29.4937 175.8804 44 D 4.5961 8.4963 121.2654 53.8598 41.9778 175.5757 45 Q 4.7524 7.9644 119.0628 54.2637 31.2997 175.3173 46 F 5.0955 8.9142 119.6979 55.6964 43.6676 173.8163 47 V 4.8835 8.6127 120.1230 61.0596 34.1431 174.2538 48 L 4.8385 9.3286 129.6868 53.5050 44.5941 174.3560 49 H 5.3972 9.0068 125.3729 54.4307 32.8092 172.4943 50 G 4.3463 9.2238 111.7410 44.6787 0.0000 171.1005 51 E 5.3226 8.6952 119.3416 54.8842 33.7309 175.2123 52 N 5.2030 8.7865 119.5298 52.5382 41.6788 173.6407 53 E 4.3176 8.9443 116.7061 58.6537 30.8064 176.8061 54 R 4.4746 7.9543 117.7349 56.4580 32.7298 175.8870 55 L 5.1345 7.8588 117.3331 52.7168 45.3506 175.3130 56 E 5.0523 9.0113 121.1229 54.7528 33.0008 174.5179 57 Y 5.0744 9.1691 121.7460 56.3261 40.9309 174.5556 58 D 5.3318 9.1403 123.7828 52.7093 45.2204 174.9856 59 G 4.6518 9.5335 109.5207 45.4048 0.0000 171.0765 60 E 5.4831 8.6655 117.6125 54.5754 33.5329 174.9287 61 T 4.7381 8.3648 110.7758 60.9431 70.4927 173.5883 62 D 4.6573 8.5262 122.3393 53.0579 42.0213 176.2856 63 E 3.9434 9.1810 127.8024 59.6109 29.7563 178.4009 64 L 4.1185 7.8794 119.5986 58.4999 42.2087 178.8524 65 T 3.9625 8.0699 109.1752 65.1222 68.2783 176.2047 66 T 3.7824 7.7226 117.7010 66.5092 68.5265 175.9316 67 K 4.2357 7.9612 118.9322 58.4996 32.4393 178.6872 68 T 4.3068 7.6900 114.4066 64.0965 69.4629 174.5581 69 N 5.0419 8.5819 116.6232 51.1357 42.5788 173.5152 70 Q 4.8280 8.2533 117.3851 54.6686 31.3692 174.4458 71 Y 4.6901 8.1888 117.5101 56.2105 42.0841 173.9540 *73 V 4.1737 8.1403 118.3776 63.2834 32.8289 174.8115 74 G 4.6309 8.8657 113.9915 44.4123 0.0000 172.1873 75 L 4.8201 8.9328 123.3958 53.1521 43.5843 174.6366 76 Y 5.1596 8.6524 125.4265 56.0995 40.7091 174.4704 77 D 4.4373 8.3163 126.7091 52.4056 42.0113 176.5715 78 K 3.5659 8.5574 126.1965 59.7772 32.2346 178.8105 79 Q 4.0667 7.9250 115.7389 59.0476 28.7937 178.0318 80 S 4.1473 8.4054 111.5324 58.9817 63.4420 174.3290 81 G 3.8818 8.0118 109.2461 46.7982 0.0000 173.3158 82 K 4.7772 7.7109 117.2361 54.0824 35.6931 175.3668 83 I 5.1363 8.4489 122.7878 59.3169 41.3914 174.2400 84 N 4.8981 9.0089 125.2871 51.6127 40.8329 173.4958 85 L 5.0773 8.2558 123.9790 53.6811 43.6226 176.1077 86 Y 4.6597 8.6207 119.8221 56.0645 41.2530 175.2738 87 R 4.3965 8.9018 125.4219 56.4016 30.9609 175.4823 88 A 4.8429 8.7994 127.3674 49.3696 22.2145 174.2102 89 P 4.2772 0.0000 0.0000 62.5692 32.1547 175.9903 90 V 3.9993 8.1266 120.4484 61.4131 33.0876 174.1226 91 V 4.5563 8.1638 128.2474 61.4805 33.3483 174.8851 92 T 4.4002 8.6604 125.0976 62.9222 69.1244 174.1399 93 S 5.0894 8.6865 122.0790 56.6397 66.8613 173.2094 94 K 4.7004 9.0450 120.9156 54.7302 35.6439 175.1521 95 I 4.8403 8.3018 123.7359 59.3960 39.6253 175.3977 96 V 4.3185 8.3061 125.8483 59.8306 34.5022 174.4922 97 S 4.8041 8.7431 120.2932 56.8611 62.8611 174.1305 98 K 4.5786 8.2685 132.3179 56.5765 32.7092 177.2644 *99 F 4.2452 8.0891 122.1972 57.0203 37.9568 177.4406 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 4.24 0.00 1.93 2.06 0.00 2.99 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 6 S 8.35 4.36 0.00 3.92 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 7 I 8.64 3.91 1.86 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 1.34 0.91 0.91 0.00 0.00 8 A 8.42 4.20 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 9 I 8.09 4.14 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.93 0.00 0.00 10 D 8.69 4.51 0.00 2.63 2.70 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 0.00 0.00 0.00 0.00 11 S 7.52 4.68 0.00 3.99 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 12 Y 8.44 4.73 0.00 2.80 2.88 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 13 Q 8.35 4.22 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 14 E 8.19 3.85 0.00 1.68 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 2.23 2.22 0.00 15 D 7.59 4.56 0.00 2.64 2.53 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 0.00 0.00 0.00 0.00 16 P 0.00 4.31 0.00 2.00 1.96 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 17 S 7.79 4.46 0.00 3.87 3.74 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 18 V 7.32 4.26 2.05 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 0.68 0.00 0.00 0.91 0.00 0.00 19 V 7.84 4.22 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 0.71 0.00 0.00 0.87 0.00 0.00 20 V 8.28 4.02 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 0.80 0.00 0.00 0.90 0.00 0.00 21 S 8.22 4.31 0.00 3.62 3.56 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 22 N 8.12 4.86 0.00 2.57 2.56 0.00 0.00 6.95 7.02 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 23 F 9.08 4.59 0.00 2.67 2.24 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 0.00 24 F 8.31 5.08 0.00 3.25 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 25 K 8.72 3.99 0.00 1.87 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.51 7.81 26 G 9.01 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.90 3.08 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 0.00 0.00 0.49 0.00 0.00 0.05 0.00 0.00 28 R 8.33 4.35 0.00 1.77 1.85 0.00 3.19 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 29 V 8.07 4.20 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 1.03 0.00 0.00 0.65 0.00 0.00 30 P 0.00 4.30 0.00 2.20 1.96 0.00 3.66 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 2.09 2.07 0.00 31 K 8.91 3.86 0.00 1.72 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.51 7.81 32 D 8.00 4.47 0.00 2.70 2.70 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 0.00 0.00 0.00 0.00 33 T 7.71 3.74 4.28 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 0.70 0.00 0.00 34 E 8.45 4.71 0.00 1.88 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 2.23 2.45 0.00 35 F 8.74 5.05 0.00 2.95 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 36 Q 8.62 4.61 0.00 2.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 37 L 8.05 4.71 0.00 1.49 1.42 0.93 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 38 Y 8.49 4.70 0.00 2.95 2.82 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 0.00 0.00 0.00 39 K 8.51 4.58 0.00 1.70 1.69 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 40 K 8.47 4.15 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.46 4.04 0.00 1.86 1.88 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 42 K 8.30 4.43 0.00 1.64 1.65 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.51 7.81 43 Q 8.58 4.28 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 44 D 8.50 4.60 0.00 2.57 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 45 Q 7.96 4.75 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 46 F 8.91 5.10 0.00 2.87 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 47 V 8.61 4.88 2.14 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 0.83 0.00 0.00 0.97 0.00 0.00 48 L 9.33 4.84 0.00 1.75 1.49 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.01 5.40 0.00 3.16 3.17 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.22 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 0.00 0.00 0.00 0.00 51 E 8.70 5.32 0.00 1.85 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 2.26 2.38 0.00 52 N 8.79 5.20 0.00 3.08 2.79 0.00 0.00 6.93 7.18 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 53 E 8.94 4.32 0.00 1.95 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 2.27 2.36 0.00 54 R 7.95 4.47 0.00 1.87 1.88 0.00 3.12 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 55 L 7.86 5.13 0.00 1.43 1.10 0.94 0.81 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 56 E 9.01 5.05 0.00 1.88 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 2.23 2.24 0.00 57 Y 9.17 5.07 0.00 2.74 2.83 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 58 D 9.14 5.33 0.00 2.66 2.55 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 59 G 9.53 4.65 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 60 E 8.67 5.48 0.00 2.01 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 0.00 2.21 2.28 0.00 61 T 8.36 4.74 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 1.44 0.00 0.00 62 D 8.53 4.66 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 63 E 9.18 3.94 0.00 2.02 2.02 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 2.32 2.41 0.00 64 L 7.88 4.12 0.00 1.82 1.81 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.07 3.96 4.41 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 1.36 0.00 0.00 66 T 7.72 3.78 4.50 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 1.27 0.00 0.00 67 K 7.96 4.24 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 68 T 7.69 4.31 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 1.20 0.00 0.00 69 N 8.58 5.04 0.00 2.29 2.27 0.00 0.00 6.85 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 70 Q 8.25 4.83 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 71 Y 8.19 4.69 0.00 3.12 2.92 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 *73 V 8.14 4.17 2.14 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 0.95 0.00 0.00 0.94 0.00 0.00 74 G 8.87 4.63 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 0.00 75 L 8.93 4.82 0.00 1.75 1.69 0.96 0.49 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 76 Y 8.65 5.16 0.00 2.89 2.88 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 77 D 8.32 4.44 0.00 2.59 2.31 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 78 K 8.56 3.57 0.00 1.70 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.51 7.81 79 Q 7.92 4.07 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.12 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 80 S 8.41 4.15 0.00 3.94 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 81 G 8.01 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 82 K 7.71 4.78 0.00 1.64 1.67 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.53 7.81 83 I 8.45 5.14 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.96 0.00 0.00 84 N 9.01 4.90 0.00 2.89 2.67 0.00 0.00 6.94 6.03 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 85 L 8.26 5.08 0.00 1.43 1.55 0.91 0.86 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 86 Y 8.62 4.66 0.00 2.90 2.83 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 87 R 8.90 4.40 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 88 A 8.80 4.84 1.17 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 0.00 0.00 89 P 0.00 4.28 0.00 1.96 1.81 0.00 3.49 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.00 90 V 8.13 4.00 1.44 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 0.64 0.00 0.00 -0.15 0.00 0.00 91 V 8.16 4.56 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 0.86 0.00 0.00 0.93 0.00 0.00 92 T 8.66 4.40 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 1.22 0.00 0.00 93 S 8.69 5.09 0.00 3.78 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 94 K 9.05 4.70 0.00 1.64 1.64 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 95 I 8.30 4.84 1.75 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.48 0.00 0.00 96 V 8.31 4.32 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 0.70 0.00 0.00 0.89 0.00 0.00 97 S 8.74 4.80 0.00 3.85 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 98 K 8.27 4.58 0.00 1.77 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.31 7.81 *99 F 8.09 4.25 0.00 2.30 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.