NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2132 8.3149 122.1398 54.1966 34.2093 175.5719 5 R 3.9823 7.9166 116.9442 54.8573 29.5272 174.4101 6 S 4.4881 9.1470 119.6251 56.0706 64.5148 172.9705 7 I 3.9417 8.2550 129.1939 60.6599 37.5103 175.8229 8 A 4.2856 8.3902 128.6451 51.2465 19.5538 176.8477 9 I 4.1230 8.0969 123.5757 60.2125 36.9764 175.5176 10 D 4.5006 8.7514 126.4959 56.8031 41.4397 176.3809 11 S 4.7029 7.4979 109.8628 57.2514 65.5540 172.6791 12 Y 4.7535 8.3792 121.9747 55.8957 41.0915 174.0786 13 Q 4.2355 8.3635 128.0919 54.2394 30.4694 174.3339 14 E 3.8786 8.2175 126.2228 57.8368 30.4181 176.2766 15 D 4.5774 7.5819 117.0180 52.7148 41.7226 174.2265 16 P 4.3064 0.0000 0.0000 63.2971 31.2833 175.3551 17 S 4.4703 7.9173 116.2560 58.2790 66.5712 174.3254 18 V 4.3059 7.3357 115.6065 58.6762 33.7471 175.6474 19 V 4.2252 7.8577 120.2008 61.0636 34.0939 174.9729 20 V 4.0269 8.3085 126.7442 61.4047 31.6973 174.5723 21 S 4.3534 8.2792 122.1574 56.4454 63.6208 172.6918 22 N 4.8593 8.1795 125.1910 52.0200 41.4440 173.2498 23 F 4.6196 8.9427 124.5986 57.2351 38.4259 178.4960 24 F 5.0960 8.3517 122.5417 55.2638 41.2755 174.2012 25 K 4.0237 8.7127 121.5071 58.0734 32.0875 177.6408 26 G 3.9949 8.9865 112.0832 45.0185 0.0000 173.5753 27 V 3.1269 6.8154 119.1810 61.4600 31.4759 175.8952 28 R 4.3580 8.2739 121.4719 54.3579 32.2901 174.8914 29 V 4.1745 8.0925 123.0645 59.9550 33.1166 173.5695 30 P 4.3174 0.0000 0.0000 62.5603 31.7090 177.4154 31 K 3.9991 8.7933 121.9758 59.8650 32.4671 177.9209 32 D 4.4302 8.0242 118.0022 55.7665 39.7557 176.8731 33 T 3.7031 7.6763 116.7751 64.1003 68.7522 172.8840 34 E 4.7265 8.4611 125.5488 54.5071 31.5502 175.3468 35 F 5.0310 8.7401 121.0316 55.7022 42.3454 174.5545 36 Q 4.6055 8.6155 120.6825 53.9511 32.0081 174.6511 37 L 4.7053 8.0362 122.1945 53.3280 44.1523 175.2301 38 Y 4.7363 8.4627 122.1492 55.9551 41.1670 174.5849 39 K 4.5955 8.5032 124.8040 53.9873 34.4390 175.5340 40 K 4.1131 8.4866 127.0457 55.9616 32.7949 176.5770 41 R 4.0732 8.5902 125.3876 56.3266 30.3275 176.1604 42 K 4.6590 8.4823 121.8944 54.4232 35.4523 175.1100 43 Q 4.6132 8.4369 122.7373 54.4141 30.6714 175.1826 44 D 4.6046 8.5789 124.5368 53.8694 41.9827 175.3487 45 Q 4.7171 7.9897 119.2738 54.2994 30.9884 175.3065 46 F 5.0970 8.9473 119.9143 55.6384 43.4659 173.9617 47 V 4.8846 8.5816 119.9735 61.0666 34.1857 174.2337 48 L 4.8268 9.3698 129.8690 53.5010 44.5258 174.3159 49 H 5.3802 9.0172 125.4938 54.3954 32.7236 172.5800 50 G 4.3335 9.1963 111.7765 44.6301 0.0000 171.1363 51 E 5.3209 8.6996 119.7673 54.7579 33.7427 174.6395 52 N 5.2265 9.0480 121.1788 51.2016 41.7226 174.2289 53 E 4.2038 8.7331 115.6933 58.9324 30.2925 177.5889 54 R 4.5339 7.9556 116.3388 55.6436 33.7084 175.4761 55 L 5.0591 7.8646 117.1222 52.6921 45.7805 175.2285 56 E 5.0661 9.0928 120.1729 54.8098 33.0462 174.5744 57 Y 5.1325 9.1401 122.0857 56.3403 40.8425 174.5997 58 D 5.3056 9.1927 123.6579 52.7352 45.1576 174.9263 59 G 4.6786 9.5914 109.7480 44.7265 0.0000 170.9753 60 E 5.4801 8.6335 117.3860 54.5411 33.5718 174.9032 61 T 4.6649 8.4639 111.0659 61.5000 70.4668 173.4709 62 D 4.7012 8.5008 122.1241 52.9626 42.3540 176.2508 63 E 3.9495 9.1991 127.6841 59.7362 29.8489 178.4396 64 L 4.1223 7.8869 119.4277 58.4063 42.2381 178.7460 65 T 3.9189 8.0772 115.3021 67.0591 68.1874 176.4655 66 T 3.9807 7.8596 116.4693 66.8134 68.5394 176.1908 67 K 4.2028 7.8197 118.9534 58.7474 32.3081 178.8834 68 T 4.2834 7.6771 114.4974 64.2692 69.3936 174.5592 69 N 5.0497 8.1892 115.7106 51.1297 42.5294 173.5543 70 Q 4.6748 8.2416 117.2323 54.6350 31.4700 174.3793 71 Y 4.7161 8.1767 117.2139 56.1806 42.1321 173.9426 *73 V 4.2039 8.1504 118.3548 63.3026 32.8419 174.8586 74 G 4.5717 8.8602 113.9735 44.4171 0.0000 172.1675 75 L 4.8108 8.9128 123.5508 53.1615 43.5401 174.5835 76 Y 5.1495 8.6270 125.4039 56.0551 40.7440 174.2422 77 D 4.4389 8.2871 126.7147 52.4245 42.1285 176.7262 78 K 3.6204 8.5681 126.4627 59.8051 32.2894 178.6936 79 Q 4.0790 7.8848 116.0007 59.0260 28.8270 177.9812 80 S 4.1741 8.5327 111.9990 59.1151 63.4712 174.7062 81 G 3.8575 8.0347 108.2108 46.2067 0.0000 172.8211 82 K 4.7438 7.7638 117.6684 54.1595 35.0025 175.2771 83 I 5.1351 8.4146 123.1019 59.3050 41.4166 174.1798 84 N 4.8939 9.0412 125.4162 51.6383 40.7688 173.4895 85 L 5.1166 8.2418 123.9239 53.5569 43.7424 176.0360 86 Y 4.6623 8.6426 119.7786 56.0444 41.3138 175.2698 87 R 4.3821 8.9001 125.3845 56.4333 30.9494 175.4905 88 A 4.8137 8.7701 127.4475 49.5176 22.2176 174.1703 89 P 4.3315 0.0000 0.0000 62.4247 32.3346 175.8707 90 V 4.0413 8.0750 120.2748 61.3179 32.7897 174.6196 91 V 4.5076 8.2109 128.1266 61.4719 33.2431 174.8035 92 T 4.4276 8.5689 125.0397 62.7637 69.2490 174.0667 93 S 5.0551 8.6627 122.3484 56.7077 66.4717 173.2467 94 K 4.6940 9.0498 121.6393 54.7423 35.3020 175.0737 95 I 4.6709 8.2569 123.9524 59.5355 39.1808 175.1659 96 V 4.3668 8.6161 126.4869 60.9564 34.8832 174.0414 97 S 4.4851 8.4534 121.8901 57.5424 62.5224 173.7102 98 K 4.0953 9.0164 128.2248 59.7665 32.1399 177.4252 99 F 4.0654 7.8800 121.3949 57.6442 38.2612 174.5624 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 4 K 8.31 4.21 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 5 R 7.92 3.98 0.00 1.87 1.92 0.00 3.11 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 6 S 9.15 4.49 0.00 3.77 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 7 I 8.26 3.94 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 0.92 0.91 0.00 0.00 8 A 8.39 4.29 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 8.10 4.12 1.86 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 1.28 0.59 0.93 0.00 0.00 10 D 8.75 4.50 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 7.50 4.70 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 8.38 4.75 0.00 2.81 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 13 Q 8.36 4.24 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 14 E 8.22 3.88 0.00 1.69 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 2.27 0.00 15 D 7.58 4.58 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 7.92 4.47 0.00 3.87 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 18 V 7.34 4.31 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 0.69 0.00 0.00 0.91 0.00 0.00 19 V 7.86 4.23 1.97 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 0.71 0.00 0.00 0.88 0.00 0.00 20 V 8.31 4.03 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 0.80 0.00 0.00 0.90 0.00 0.00 21 S 8.28 4.35 0.00 3.60 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.86 0.00 2.58 2.57 0.00 0.00 6.96 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 8.94 4.62 0.00 2.71 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 0.00 0.00 0.00 0.00 24 F 8.35 5.10 0.00 3.25 3.15 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 0.00 0.00 0.00 25 K 8.71 4.02 0.00 1.86 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.51 7.81 26 G 8.99 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 0.00 0.00 0.00 27 V 6.82 3.13 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 0.00 0.00 0.49 0.00 0.00 0.06 0.00 0.00 28 R 8.27 4.36 0.00 1.75 1.83 0.00 3.17 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 29 V 8.09 4.17 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 0.99 0.00 0.00 0.62 0.00 0.00 30 P 0.00 4.32 0.00 2.37 1.96 0.00 3.64 0.00 0.00 3.78 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 8.79 4.00 0.00 1.87 1.97 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 32 D 8.02 4.43 0.00 2.78 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 33 T 7.68 3.70 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 0.74 0.00 0.00 34 E 8.46 4.73 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 2.40 0.00 35 F 8.74 5.03 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 2.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 37 L 8.04 4.71 0.00 1.50 1.42 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.46 4.74 0.00 2.93 2.81 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 39 K 8.50 4.60 0.00 1.70 1.69 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 40 K 8.49 4.11 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.59 4.07 0.00 1.85 1.89 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 42 K 8.48 4.66 0.00 1.70 1.67 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 43 Q 8.44 4.61 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 44 D 8.58 4.60 0.00 2.52 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 0.00 0.00 0.00 0.00 45 Q 7.99 4.72 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 46 F 8.95 5.10 0.00 2.87 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 47 V 8.58 4.88 2.13 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 0.83 0.00 0.00 0.97 0.00 0.00 48 L 9.37 4.83 0.00 1.75 1.50 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.02 5.38 0.00 3.16 3.18 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 9.20 4.33 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 0.00 51 E 8.70 5.32 0.00 1.84 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 2.25 2.38 0.00 52 N 9.05 5.23 0.00 2.97 2.90 0.00 0.00 7.01 7.56 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 53 E 8.73 4.20 0.00 2.08 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 0.00 2.27 2.27 0.00 54 R 7.96 4.53 0.00 1.64 1.82 0.00 3.18 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 55 L 7.86 5.06 0.00 1.25 0.96 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.09 5.07 0.00 1.77 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 2.23 0.00 57 Y 9.14 5.13 0.00 2.71 2.81 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 58 D 9.19 5.31 0.00 2.59 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 59 G 9.59 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.63 5.48 0.00 2.04 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 2.27 0.00 61 T 8.46 4.66 4.36 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 0.00 0.00 1.46 0.00 0.00 62 D 8.50 4.70 0.00 2.81 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 63 E 9.20 3.95 0.00 2.01 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 2.32 2.41 0.00 64 L 7.89 4.12 0.00 1.81 1.82 0.93 0.84 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 65 T 8.08 3.92 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 1.44 0.00 0.00 66 T 7.86 3.98 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 1.29 0.00 0.00 67 K 7.82 4.20 0.00 1.96 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 68 T 7.68 4.28 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 8.19 5.05 0.00 2.38 2.27 0.00 0.00 6.87 7.94 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 70 Q 8.24 4.67 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 71 Y 8.18 4.72 0.00 3.10 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 8.15 4.20 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 0.97 0.00 0.00 0.94 0.00 0.00 74 G 8.86 4.57 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 0.00 0.00 0.00 75 L 8.91 4.81 0.00 1.76 1.69 0.98 0.49 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 76 Y 8.63 5.15 0.00 2.90 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 8.29 4.44 0.00 2.67 2.30 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 0.00 78 K 8.57 3.62 0.00 1.71 1.86 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 1.50 7.81 79 Q 7.88 4.08 0.00 2.09 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 8.53 4.17 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 81 G 8.03 3.86 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 0.00 0.00 0.00 82 K 7.76 4.74 0.00 1.66 1.69 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.38 7.81 83 I 8.41 5.14 2.07 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 1.41 1.22 0.96 0.00 0.00 84 N 9.04 4.89 0.00 2.89 2.67 0.00 0.00 6.91 6.21 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 85 L 8.24 5.12 0.00 1.42 1.54 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 8.64 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 4.38 0.00 1.87 1.90 0.00 3.25 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 88 A 8.77 4.81 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 4.33 0.00 1.98 1.80 0.00 3.48 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 0.00 90 V 8.07 4.04 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 0.48 0.00 0.00 0.04 0.00 0.00 91 V 8.21 4.51 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 0.93 0.00 0.00 92 T 8.57 4.43 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 8.66 5.06 0.00 3.80 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 94 K 9.05 4.69 0.00 1.65 1.66 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 95 I 8.26 4.67 1.74 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 1.14 0.57 0.38 0.00 0.00 96 V 8.62 4.37 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 0.95 0.00 0.00 0.90 0.00 0.00 97 S 8.45 4.49 0.00 3.56 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 4.10 0.00 1.67 1.89 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 99 F 7.88 4.07 0.00 3.08 3.34 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 * Residues marked with a * may have inaccurate shift predictions.