NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.1805 8.0700 122.2805 51.3168 21.7450 175.5060 3 L 4.7490 7.8839 117.6011 53.2473 43.3929 174.5629 4 F 4.9309 9.6553 125.3201 55.6368 43.7479 173.9655 5 G 4.5852 9.2472 105.6264 45.0585 0.0000 171.2517 6 Y 5.7116 9.1480 123.6224 55.6168 42.0729 174.3472 7 A 4.6332 8.1756 126.7046 50.2013 22.9299 174.8351 8 R 4.9465 8.1607 119.8787 55.0427 33.2821 174.4500 9 V 4.6709 8.5390 118.6141 59.4772 35.4589 176.7324 10 S 4.1375 8.7036 116.8547 61.4140 63.9512 175.0540 11 T 4.4195 7.8814 114.9223 64.6372 73.5015 174.9830 *15 S 4.5055 7.8405 112.5093 58.1219 63.9731 176.0967 16 L 4.4954 8.6991 124.2724 55.4291 43.1959 175.7774 17 D 4.3939 7.9879 118.4184 57.2727 40.6039 178.3661 18 I 3.6913 7.6556 120.1599 64.4603 37.1608 178.3085 19 Q 3.9739 7.8921 118.3997 58.8208 28.5946 178.6397 20 V 3.5404 7.5640 118.9414 65.9230 31.5652 177.9266 21 R 3.8289 8.3019 118.5890 59.4643 29.7636 178.3333 22 A 3.9984 7.7927 120.6057 55.0382 18.4680 179.6511 23 L 3.9198 7.9600 117.4778 57.9352 41.8206 179.8026 24 K 4.2077 8.1835 120.0144 59.1149 31.8053 179.0607 25 D 4.4668 8.1943 117.2441 56.2362 40.8174 177.5172 26 A 4.4685 7.4212 119.3980 51.7905 19.2354 177.6694 27 G 3.9166 7.6857 105.7959 44.8511 0.0000 174.0862 28 V 3.7059 7.7205 120.5318 61.8000 32.1340 175.8233 29 K 4.0890 8.4656 126.4646 56.2088 32.6951 177.6949 30 A 3.8910 8.6611 125.5120 55.3238 18.3593 179.0214 31 N 4.4392 7.9548 110.2623 54.2841 38.0318 175.4889 32 R 4.5570 7.9333 117.9853 56.1452 31.6231 175.1961 33 I 4.9288 7.0544 121.3191 59.8382 38.5432 175.2285 34 F 5.0888 9.2907 125.7064 55.8229 42.6283 174.4346 35 T 5.1162 8.5633 111.0108 60.1966 72.7708 172.1819 36 D 5.1243 8.7634 120.8420 52.7584 45.5652 174.7227 37 K 4.9422 8.3671 119.5889 55.7809 35.3817 176.3089 38 A 4.4572 8.6862 130.4130 53.0604 18.3319 179.2207 *44 D 4.3644 7.4969 112.9704 53.3897 40.6399 176.9930 45 R 4.2674 8.1906 118.4848 57.9548 30.0746 177.5350 46 K 4.1055 7.8889 115.8312 60.1642 32.0885 179.2779 47 G 4.1416 8.8258 107.5007 47.0082 0.0000 175.6411 48 L 3.9720 8.4417 122.7060 57.9212 41.8242 178.8507 49 D 4.3024 8.1409 118.2857 57.3743 40.8821 178.2875 50 L 4.0702 7.3615 117.8923 57.8049 41.8778 179.1140 51 L 3.1720 7.4004 119.9142 57.4984 41.6271 179.7800 52 R 4.3043 7.1950 115.1233 56.5671 29.9966 177.7942 *54 K 4.3555 8.0740 120.5044 56.1722 34.1244 177.2252 55 V 3.4111 6.9164 116.8844 61.0991 32.1196 175.3721 56 K 4.6202 8.8315 120.1680 53.9776 36.1477 175.4686 57 E 4.1909 8.1612 120.0124 57.6412 29.5504 176.8391 58 G 4.0528 8.9918 115.2422 45.3778 0.0000 173.3871 59 D 4.8442 8.0919 119.2806 54.4708 42.5590 175.6350 60 V 4.7780 9.3876 120.2502 61.3703 34.8481 174.0961 61 I 4.7908 8.5557 129.2659 59.9256 38.8300 174.8781 62 L 4.8349 9.0293 127.9274 53.9767 43.4914 176.1139 63 V 4.8302 8.8196 121.9364 61.2344 35.2025 175.9022 64 K 4.0971 9.0871 128.4448 59.1385 33.1066 176.6854 65 K 5.1514 8.0806 117.3776 54.1810 36.1556 176.9461 66 L 3.1630 9.0723 121.7579 58.0512 41.6249 179.8396 67 D 4.3305 7.9548 116.6117 57.1469 40.7556 176.8704 68 H 4.7775 7.9225 114.0671 56.1331 29.1773 176.2075 69 L 4.3710 7.7848 121.9413 57.0119 42.2877 177.5888 70 G 4.2032 7.6177 106.0470 43.7529 0.0000 173.1907 71 R 4.1386 8.8649 118.0360 58.6648 30.1576 176.1616 72 D 4.6716 7.4755 114.4472 52.5427 42.1087 174.9002 73 T 3.9262 8.6332 114.8266 67.0052 68.7411 175.7471 74 A 4.1158 8.2548 123.8059 55.5176 18.5600 179.9895 75 D 4.5744 8.1928 111.9043 55.2627 40.9673 178.0069 *77 I 4.1125 7.8966 119.8272 60.9748 39.3248 177.6224 78 Q 3.9367 8.3500 120.8689 59.2273 28.7465 178.5847 79 L 3.8508 8.0583 119.7377 57.8238 41.6481 179.2448 80 I 3.8448 7.9465 119.2368 64.8136 37.1578 178.5307 81 K 4.0640 8.3472 119.2400 59.1344 31.7237 179.2249 82 E 3.9821 8.1309 118.0061 59.0846 29.6953 179.1258 83 F 4.2006 8.0627 118.8524 60.2950 38.9377 177.0806 84 D 4.5068 8.6911 118.0256 57.3342 40.7521 178.1974 85 A 4.1048 7.8132 120.7085 54.1759 18.0185 177.9256 86 Q 4.3930 7.6601 114.0620 55.8745 29.0959 176.4550 87 G 3.7847 8.0918 105.2807 47.0641 0.0000 173.2445 88 V 4.8241 8.2191 120.0520 60.7639 33.0939 175.2883 89 S 4.8843 8.5220 121.7541 56.8182 66.2865 172.7728 90 I 4.7249 8.6382 121.0889 59.3578 40.5418 174.5974 91 R 4.6891 8.5809 126.9937 54.5972 32.4106 174.6447 92 F 5.0751 9.1646 126.6146 56.3132 40.1062 176.7505 93 I 3.6741 9.3388 126.1677 64.7719 37.3111 178.8320 94 D 4.2600 8.7033 119.9035 57.3995 40.8552 178.0103 95 D 4.3954 7.6389 117.0039 54.9908 41.1923 176.2669 96 G 3.8856 7.9166 106.5760 46.7935 0.0000 173.8472 97 I 4.6038 7.6378 118.4329 59.1844 41.0069 174.9689 98 S 5.2400 8.4121 120.8900 56.6024 64.8226 175.4445 99 T 4.0413 8.7476 116.0493 64.0409 68.5541 174.6850 100 D 4.6543 7.9697 119.8830 53.2392 40.2398 176.3862 101 S 4.6165 7.5864 115.7057 57.2305 64.5249 174.6486 102 Y 4.1806 8.2771 118.9134 59.9943 38.1467 177.7552 103 I 3.8081 7.1253 120.7530 64.1591 37.6713 177.2748 104 G 4.4173 8.0805 108.8329 48.1704 0.0000 176.2697 105 K 4.3636 8.2856 118.4345 56.5933 31.5954 179.3039 *107 V 3.9428 7.9841 120.0866 63.0205 33.2071 177.5212 108 V 3.6133 7.9664 118.9288 66.4344 31.2276 178.1482 109 T 3.9014 7.9784 115.4576 66.5703 68.2504 176.8584 110 I 3.7317 7.6836 121.3316 64.4014 37.2174 178.3469 111 L 4.0268 8.2958 120.2180 57.8199 41.3600 179.7467 112 S 4.1233 8.4905 115.3581 61.4180 62.7461 176.5658 113 A 3.9709 8.0494 123.5592 55.0437 18.1186 179.8562 114 V 3.4978 7.8285 116.5152 66.1877 31.6513 178.1769 115 A 4.2444 8.0599 121.8691 54.6421 18.1148 179.4082 116 Q 3.8808 8.3588 118.0303 59.1752 29.0734 178.2797 117 A 3.9818 8.1357 121.8390 55.2297 18.3917 179.3489 118 E 3.9107 8.3104 117.1382 59.5275 29.2864 179.7277 119 R 3.9668 7.7518 117.6021 59.6224 30.3097 178.2965 120 Q 4.1113 8.4109 118.2825 58.7013 28.4312 178.3927 121 R 3.9351 8.0732 119.3607 59.8526 30.1292 178.0311 122 I 3.8361 7.2462 117.7456 64.3396 37.2070 176.0983 123 L 4.1663 7.4721 122.7001 55.0281 41.4132 176.7695 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 2 A 8.07 5.18 1.35 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 3 L 7.88 4.75 0.00 1.67 1.50 0.92 0.32 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 4 F 9.66 4.93 0.00 2.85 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 5 G 9.25 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 6 Y 9.15 5.71 0.00 2.90 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 7 A 8.18 4.63 1.06 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 0.00 0.00 8 R 8.16 4.95 0.00 1.53 1.97 0.00 3.36 0.00 0.00 3.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 9 V 8.54 4.67 2.17 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 0.81 0.00 0.00 0.91 0.00 0.00 10 S 8.70 4.14 0.00 3.91 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 11 T 7.88 4.42 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 *15 S 7.84 4.51 0.00 3.98 3.25 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 0.00 16 L 8.70 4.50 0.00 1.71 1.62 0.83 1.13 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 17 D 7.99 4.39 0.00 2.71 2.68 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 18 I 7.66 3.69 1.85 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 1.63 0.79 0.91 0.00 0.00 19 Q 7.89 3.97 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 20 V 7.56 3.54 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 1.04 0.00 0.00 0.94 0.00 0.00 21 R 8.30 3.83 0.00 1.99 1.92 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 22 A 7.79 4.00 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 23 L 7.96 3.92 0.00 1.87 1.72 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.18 4.21 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 25 D 8.19 4.47 0.00 2.80 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 26 A 7.42 4.47 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 27 G 7.69 3.92 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 0.00 0.00 0.00 28 V 7.72 3.71 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 0.94 0.00 0.00 1.02 0.00 0.00 29 K 8.47 4.09 0.00 1.73 1.75 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.36 7.81 30 A 8.66 3.89 1.24 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 0.00 0.00 31 N 7.95 4.44 0.00 2.77 2.88 0.00 0.00 5.91 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 32 R 7.93 4.56 0.00 1.66 1.56 0.00 2.32 0.00 0.00 2.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.00 33 I 7.05 4.93 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.87 0.00 0.00 34 F 9.29 5.09 0.00 3.24 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 35 T 8.56 5.12 4.17 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 1.14 0.00 0.00 36 D 8.76 5.12 0.00 2.63 2.61 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 37 K 8.37 4.94 0.00 1.59 1.66 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.39 7.81 38 A 8.69 4.46 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 *44 D 7.50 4.36 0.00 2.89 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 45 R 8.19 4.27 0.00 2.09 2.15 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 46 K 7.89 4.11 0.00 1.95 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.67 7.81 47 G 8.83 4.14 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 0.00 0.00 0.00 48 L 8.44 3.97 0.00 1.93 1.87 0.64 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.14 4.30 0.00 2.92 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 50 L 7.36 4.07 0.00 1.86 1.79 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.40 3.17 0.00 1.31 1.60 0.63 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.20 4.30 0.00 1.99 1.85 0.00 3.13 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.89 0.00 *54 K 8.07 4.36 0.00 1.66 2.12 0.00 2.14 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.62 7.81 55 V 6.92 3.41 1.55 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 0.61 0.00 0.00 0.35 0.00 0.00 56 K 8.83 4.62 0.00 1.79 1.69 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.51 7.81 57 E 8.16 4.19 0.00 1.92 1.91 0.00 0.00 0.00 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 2.31 0.00 58 G 8.99 4.05 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 0.00 0.00 0.00 59 D 8.09 4.84 0.00 2.65 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 60 V 9.39 4.78 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 0.95 0.00 0.00 0.92 0.00 0.00 61 I 8.56 4.79 1.54 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.27 0.82 0.00 0.00 62 L 9.03 4.83 0.00 1.55 1.55 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.82 4.83 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 1.29 0.00 0.00 0.97 0.00 0.00 64 K 9.09 4.10 0.00 1.98 1.92 0.00 1.99 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.66 7.81 65 K 8.08 5.15 0.00 1.52 1.52 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 66 L 9.07 3.16 0.00 1.41 1.39 0.81 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.95 4.33 0.00 2.45 2.68 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 68 H 7.92 4.78 0.00 3.38 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.78 4.37 0.00 1.98 1.85 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.62 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 0.00 0.00 0.00 0.00 71 R 8.86 4.14 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 72 D 7.48 4.67 0.00 2.72 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 73 T 8.63 3.93 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 1.19 0.00 0.00 74 A 8.25 4.12 1.30 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 0.00 0.00 75 D 8.19 4.57 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 *77 I 7.90 4.11 2.03 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 1.31 0.52 0.92 0.00 0.00 78 Q 8.35 3.94 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 79 L 8.06 3.85 0.00 1.82 1.81 0.95 0.68 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 80 I 7.95 3.84 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.88 1.00 0.00 0.00 81 K 8.35 4.06 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 82 E 8.13 3.98 0.00 2.00 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 0.00 2.23 1.69 0.00 83 F 8.06 4.20 0.00 3.17 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 84 D 8.69 4.51 0.00 2.84 2.87 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 85 A 7.81 4.10 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 86 Q 7.66 4.39 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.03 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 87 G 8.09 3.78 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 0.00 0.00 0.00 88 V 8.22 4.82 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 0.62 0.00 0.00 1.04 0.00 0.00 89 S 8.52 4.88 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 90 I 8.64 4.72 1.62 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 0.79 0.63 0.03 0.00 0.00 91 R 8.58 4.69 0.00 1.81 1.66 0.00 3.32 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 92 F 9.16 5.08 0.00 3.06 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 93 I 9.34 3.67 1.92 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 1.00 0.93 0.00 0.00 94 D 8.70 4.26 0.00 2.73 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 95 D 7.64 4.40 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 3.89 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 0.00 0.00 0.00 97 I 7.64 4.60 2.00 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 1.41 0.79 1.01 0.00 0.00 98 S 8.41 5.24 0.00 3.84 3.80 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 99 T 8.75 4.04 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 1.45 0.00 0.00 100 D 7.97 4.65 0.00 2.82 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 0.00 101 S 7.59 4.62 0.00 3.86 3.97 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 0.00 102 Y 8.28 4.18 0.00 3.06 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 0.00 103 I 7.13 3.81 1.59 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.16 0.84 0.00 0.00 104 G 8.08 4.42 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 0.00 0.00 0.00 105 K 8.29 4.36 0.00 2.03 1.88 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.68 7.81 *107 V 7.98 3.94 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 1.00 0.00 0.00 0.97 0.00 0.00 108 V 7.97 3.61 2.12 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 1.10 0.00 0.00 1.01 0.00 0.00 109 T 7.98 3.90 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 0.00 110 I 7.68 3.73 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.58 0.91 0.00 0.00 111 L 8.30 4.03 0.00 1.94 1.70 0.88 0.83 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 0.00 112 S 8.49 4.12 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.05 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.83 3.50 2.20 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 0.99 0.00 0.00 0.92 0.00 0.00 115 A 8.06 4.24 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 0.00 116 Q 8.36 3.88 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 117 A 8.14 3.98 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 0.00 118 E 8.31 3.91 0.00 2.20 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 2.33 2.51 0.00 119 R 7.75 3.97 0.00 1.91 2.12 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 120 Q 8.41 4.11 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 121 R 8.07 3.94 0.00 1.98 2.20 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 122 I 7.25 3.84 2.02 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 1.52 0.80 0.91 0.00 0.00 123 L 7.47 4.17 0.00 1.77 1.58 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.