NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 S 4.4881 8.3349 117.0992 57.8508 64.3998 174.3825 1 M 4.1154 8.1718 121.9235 54.0039 32.7214 173.5516 2 P 4.5895 0.0000 0.0000 62.9623 33.6817 175.2485 3 R 5.5027 9.3602 121.6209 54.4795 34.1368 174.4871 4 F 5.6864 9.2448 115.4008 55.2786 41.9057 173.9587 5 V 4.5997 8.9564 118.0045 59.9556 35.3550 174.4596 6 V 4.9414 9.1063 122.5893 61.6119 33.9852 174.0805 7 Q 5.1465 9.2555 128.2594 54.1927 31.0768 174.4914 8 E 4.0822 9.1497 126.3244 55.6201 31.3336 174.4776 9 H 4.9976 8.7359 127.5535 54.7688 32.1135 172.3839 10 H 4.9032 9.1538 126.6220 54.6228 27.2052 175.0887 11 A 5.0498 7.1876 123.4347 49.6395 21.8461 176.8482 12 R 4.0042 8.6154 113.2626 58.6169 30.2854 177.3060 13 R 4.5278 7.5878 116.1551 53.6677 32.2373 175.0493 14 L 4.2605 8.3768 125.9629 55.4044 42.9050 175.3815 15 H 4.7483 8.3455 120.4270 54.7063 32.7518 171.8397 16 W 5.0354 9.1319 117.5991 55.0730 31.8600 175.2332 17 D 5.4092 9.1173 122.0319 52.6086 43.6463 174.6339 18 L 5.0078 9.0753 126.8248 54.0410 43.8952 175.4024 19 R 5.1604 9.3066 125.0983 54.4977 33.9875 174.0927 20 L 4.8985 8.9441 124.2715 52.6625 44.4827 175.7057 21 E 4.6758 9.2828 123.9674 57.0854 29.8966 176.2653 22 M 4.5991 9.5756 123.0113 55.8958 35.6543 174.0668 23 D 4.2679 9.6436 123.2540 55.3581 38.6627 173.4237 24 N 4.2708 8.6325 112.7303 54.3994 37.4788 173.1328 25 V 4.5129 7.6928 109.3824 59.7776 37.0295 173.8824 26 L 4.9624 8.8047 122.1166 53.4951 42.6575 176.5344 27 K 4.3111 8.8578 125.3018 56.2339 33.2140 176.7641 28 S 5.2681 7.8191 119.9257 56.4905 67.2383 173.0272 29 W 5.4418 9.1919 121.9872 54.9396 33.3942 174.3046 30 A 4.9682 9.1647 126.8091 50.9687 19.9212 176.4339 31 L 5.0760 9.3326 122.0717 52.3147 43.1648 175.7981 32 P 4.4664 0.0000 0.0000 64.5446 31.5953 177.9090 33 K 4.4922 8.1623 115.0274 55.6203 32.7537 176.6426 34 G 2.9276 8.0270 107.4470 44.0380 0.0000 173.3895 35 V 3.5952 6.8621 118.3850 61.3498 31.9743 173.9279 36 P 4.3300 0.0000 0.0000 63.1366 31.5690 175.9119 37 E 4.6688 8.7546 120.2048 55.9684 30.9097 175.8205 38 K 4.6455 7.5653 118.7767 53.6513 35.5316 175.6595 39 R 4.0631 8.4543 118.7717 58.1147 29.4720 176.4214 40 G 4.0277 8.7406 109.6658 45.4336 0.0000 174.2576 41 V 3.7208 7.4209 119.8628 62.9014 32.6940 175.0535 42 K 4.8236 8.6310 126.8440 54.8423 34.0022 175.5941 43 R 4.6952 8.7034 124.5340 53.6673 33.1965 175.3819 44 L 4.4269 8.7419 125.2210 55.5204 42.5156 175.8424 45 A 5.0209 9.0373 127.1234 50.2278 22.4905 174.7162 46 I 4.7071 8.9743 123.7531 59.1397 39.4221 174.9706 47 E 3.8259 9.1657 129.3035 56.5126 30.0996 175.7298 48 T 4.7261 7.7754 115.9763 59.2969 72.3104 173.1992 49 E 4.1211 8.6021 120.4543 56.1569 30.0927 177.2438 50 D 4.6104 8.6087 122.3460 55.3909 41.7152 175.5363 51 H 4.8773 8.7845 118.4444 53.7001 32.6012 173.7182 52 D 4.7765 8.3580 119.3597 53.9776 41.7214 177.6923 53 L 4.0540 8.7555 122.5681 58.0855 41.8641 179.8562 54 S 4.1813 8.1981 111.7882 61.5138 62.9825 174.6924 55 Y 4.3352 8.3391 120.7273 58.8220 38.6868 177.0528 56 I 3.7332 7.7108 119.1740 64.2855 38.1243 175.9607 57 D 4.6774 7.8603 117.2587 53.7009 41.1036 176.1347 58 F 4.1365 7.6012 122.7555 58.0640 39.8234 174.2978 59 E 4.2656 7.8502 125.2952 54.2892 33.5998 175.8735 60 G 3.6558 7.0557 107.9248 44.1598 0.0000 171.1375 61 R 4.9450 7.9880 121.4283 54.8276 31.0938 176.4862 62 I 4.2524 8.7934 129.2044 60.2794 38.3412 174.3502 63 P 4.7625 0.0000 0.0000 62.3006 32.7271 175.9772 64 E 4.2101 8.6388 120.4805 57.7566 29.9303 178.0099 65 G 4.0386 8.7992 109.3281 45.9154 0.0000 173.6910 66 M 4.3902 7.4672 119.0566 54.0787 33.1033 175.3718 67 Y 4.2550 8.4426 124.0740 59.2455 39.2121 175.4800 68 G 3.7481 8.5968 115.3314 45.2085 0.0000 172.6052 69 A 4.2361 7.7688 123.0046 50.9327 19.1019 177.9759 70 G 4.4458 8.0120 108.5838 43.6995 0.0000 171.6590 71 E 4.5670 8.3676 121.6813 55.7781 31.1152 175.1125 72 V 4.8905 9.0464 127.4227 61.0191 33.9162 174.4999 73 K 5.0005 8.8597 126.1255 54.9599 36.6899 175.1162 74 I 4.3501 8.8916 122.6903 60.7235 36.9848 175.8944 75 W 4.5498 9.4756 135.0000 59.9564 31.5117 175.4333 76 D 4.7361 8.0827 116.8516 53.7697 44.4034 173.7470 77 S 4.0431 7.3732 114.4575 56.9993 66.2127 174.5231 78 G 4.0482 6.2506 105.4262 46.1689 0.0000 171.7606 79 E 5.1885 8.2043 119.1279 56.4175 31.0439 175.6544 80 Y 5.5041 8.7738 118.5875 55.7263 41.7718 174.2657 81 E 4.5969 9.4057 120.7733 54.4144 32.0442 175.1264 82 L 4.6486 8.6457 127.6277 55.2591 42.2930 176.0331 83 L 4.7578 9.2238 126.1662 55.9068 44.1031 176.8207 84 E 4.8805 8.0173 116.0081 55.1658 34.2666 174.5827 85 R 5.2462 8.4185 122.6057 55.7572 33.3988 173.9142 86 T 4.8114 9.1756 115.6454 59.9677 72.1362 174.2756 87 E 4.2170 8.8926 119.7472 58.7056 29.5359 177.6575 88 N 4.6826 8.2184 114.7906 52.5451 39.9103 173.7137 89 K 5.1092 7.9806 119.8256 55.3879 36.5031 174.4497 90 I 5.1048 9.2743 127.7160 59.6164 40.9074 173.9842 91 K 5.2170 9.2237 129.4160 54.5487 34.5538 174.8543 92 F 5.4893 8.7718 121.1608 55.4488 42.1175 173.0023 93 L 4.9009 9.2575 123.2882 54.1629 43.2085 175.3114 94 A 4.8800 9.0344 129.1612 50.5516 20.6154 177.2946 95 K 4.8871 9.0839 120.4405 55.8531 32.4040 176.2689 96 G 4.2933 8.3935 109.5414 44.7687 0.0000 173.9331 97 R 4.1908 8.8577 117.6118 57.5891 30.4987 177.7119 98 K 4.1864 8.5060 114.1083 57.7763 34.2367 176.3316 99 M 4.5258 9.2824 123.8246 53.5707 31.0779 174.3308 100 N 5.8792 7.8793 121.3972 51.8880 40.9484 175.4834 101 G 3.8061 8.5693 107.3083 44.6451 0.0000 172.0863 102 E 4.7080 8.0543 117.0752 56.1649 30.9773 175.7056 103 Y 4.8089 8.4832 119.8256 56.1782 43.0831 174.3927 104 V 4.6182 8.6883 120.5162 61.3129 35.3189 173.9542 105 L 5.1253 9.0975 128.1790 53.4576 43.6240 175.4531 106 I 4.7286 9.1613 125.0280 59.3641 40.2925 174.2363 107 K 4.1235 8.4140 129.5484 54.6362 33.5616 175.4253 108 T 4.6433 8.4254 117.2815 59.6206 71.7050 174.3560 109 K 4.0770 8.5732 119.2828 58.8584 32.0032 178.2195 110 V 4.1549 7.8379 110.8439 60.4353 33.1757 175.4996 111 G 4.0393 6.8080 106.8591 44.1878 0.0000 173.1032 112 W 5.4395 8.7343 122.6074 54.9679 33.0916 174.8496 113 L 5.3313 9.1118 120.6501 52.9780 45.8888 175.2617 114 L 5.1148 9.1204 123.6576 53.5545 44.7734 174.9285 115 M 5.2182 8.9873 125.4237 52.8833 35.8980 173.2782 116 K 4.3654 8.4651 126.5753 54.0305 35.1002 175.5848 117 A 4.1022 8.1919 127.9273 52.1930 17.8762 177.2488 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 S 8.33 4.49 0.00 3.59 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 1 M 8.17 4.12 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 2 P 0.00 4.59 0.00 1.22 1.75 0.00 3.35 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 1.82 1.99 0.00 3 R 9.36 5.50 0.00 2.09 1.81 0.00 3.04 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 4 F 9.24 5.69 0.00 3.04 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 5 V 8.96 4.60 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 0.90 0.00 0.00 0.99 0.00 0.00 6 V 9.11 4.94 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 1.13 0.00 0.00 1.26 0.00 0.00 7 Q 9.26 5.15 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 8 E 9.15 4.08 0.00 2.20 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 2.02 1.47 0.00 9 H 8.74 5.00 0.00 2.96 2.54 0.00 5.65 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 9.15 4.90 0.00 3.07 3.15 0.00 5.67 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 11 A 7.19 5.05 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 12 R 8.62 4.00 0.00 1.79 2.01 0.00 3.31 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 13 R 7.59 4.53 0.00 1.72 1.81 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 14 L 8.38 4.26 0.00 1.43 1.43 0.46 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.35 4.75 0.00 3.26 3.32 0.00 5.28 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 W 9.13 5.04 0.00 3.23 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 17 D 9.12 5.41 0.00 2.61 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 18 L 9.08 5.01 0.00 1.80 1.64 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 R 9.31 5.16 0.00 1.81 1.82 0.00 3.25 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 20 L 8.94 4.90 0.00 1.52 1.25 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.28 4.68 0.00 2.08 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 2.42 2.49 0.00 22 M 9.58 4.60 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 23 D 9.64 4.27 0.00 2.86 2.74 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 24 N 8.63 4.27 0.00 2.84 2.89 0.00 0.00 6.95 7.71 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 25 V 7.69 4.51 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 0.73 0.00 0.00 1.01 0.00 0.00 26 L 8.80 4.96 0.00 1.69 1.66 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.86 4.31 0.00 1.73 1.42 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.60 1.59 7.81 28 S 7.82 5.27 0.00 3.61 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 29 W 9.19 5.44 0.00 3.12 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 30 A 9.16 4.97 1.29 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 0.00 0.00 0.00 31 L 9.33 5.08 0.00 1.66 1.63 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.47 0.00 2.11 2.18 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 33 K 8.16 4.49 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 G 8.03 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 0.00 0.00 0.00 35 V 6.86 3.60 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 0.75 0.00 0.00 0.68 0.00 0.00 36 P 0.00 4.33 0.00 2.23 2.10 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 37 E 8.75 4.67 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 38 K 7.57 4.65 0.00 1.84 1.62 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 0.95 7.81 39 R 8.45 4.06 0.00 1.82 1.90 0.00 3.01 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 40 G 8.74 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 41 V 7.42 3.72 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 0.90 0.00 0.00 0.94 0.00 0.00 42 K 8.63 4.82 0.00 1.65 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.57 7.81 43 R 8.70 4.70 0.00 1.67 1.77 0.00 3.50 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 44 L 8.74 4.43 0.00 1.68 1.63 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.04 5.02 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 46 I 8.97 4.71 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.96 0.00 0.00 47 E 9.17 3.83 0.00 1.85 1.93 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 2.03 1.56 0.00 48 T 7.78 4.73 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 1.25 0.00 0.00 49 E 8.60 4.12 0.00 1.80 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 2.28 2.37 0.00 50 D 8.61 4.61 0.00 2.49 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 51 H 8.78 4.88 0.00 3.07 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.36 4.78 0.00 2.70 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 53 L 8.76 4.05 0.00 1.74 1.78 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.20 4.18 0.00 4.04 4.06 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 55 Y 8.34 4.34 0.00 3.01 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 56 I 7.71 3.73 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.96 0.00 0.00 57 D 7.86 4.68 0.00 2.69 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 58 F 7.60 4.14 0.00 2.57 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 0.00 0.00 0.00 0.00 59 E 7.85 4.27 0.00 1.61 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 60 G 7.06 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.99 4.95 0.00 2.02 1.90 0.00 3.26 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 62 I 8.79 4.25 2.06 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 1.42 0.75 0.95 0.00 0.00 63 P 0.00 4.76 0.00 2.13 2.20 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 64 E 8.64 4.21 0.00 1.99 1.94 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 2.33 2.27 0.00 65 G 8.80 4.04 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 0.00 0.00 0.00 66 M 7.47 4.39 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 67 Y 8.44 4.26 0.00 2.82 2.90 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 68 G 8.60 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.77 4.24 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 70 G 8.01 4.45 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 71 E 8.37 4.57 0.00 2.11 1.78 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 2.31 2.30 0.00 72 V 9.05 4.89 2.39 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 0.97 0.00 0.00 0.93 0.00 0.00 73 K 8.86 5.00 0.00 1.89 1.78 0.00 1.38 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.43 7.81 74 I 8.89 4.35 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.93 0.00 0.00 75 W 9.48 4.55 0.00 3.46 3.59 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 76 D 8.08 4.74 0.00 2.60 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 77 S 7.37 4.04 0.00 3.68 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 78 G 6.25 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 79 E 8.20 5.19 0.00 2.03 1.93 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 2.42 2.34 0.00 80 Y 8.77 5.50 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.41 4.60 0.00 1.99 1.95 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 2.23 2.26 0.00 82 L 8.65 4.65 0.00 1.84 1.66 1.22 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.22 4.76 0.00 1.68 1.72 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.02 4.88 0.00 1.93 1.83 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 2.34 2.35 0.00 85 R 8.42 5.25 0.00 1.88 1.84 0.00 3.30 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 86 T 9.18 4.81 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 1.25 0.00 0.00 87 E 8.89 4.22 0.00 2.00 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 0.00 2.37 2.47 0.00 88 N 8.22 4.68 0.00 2.69 2.66 0.00 0.00 6.23 7.88 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 89 K 7.98 5.11 0.00 1.77 1.64 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.47 7.81 90 I 9.27 5.10 1.92 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 1.30 0.95 0.99 0.00 0.00 91 K 9.22 5.22 0.00 1.84 1.70 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.30 7.81 92 F 8.77 5.49 0.00 3.35 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 93 L 9.26 4.90 0.00 1.84 1.71 0.98 1.28 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 94 A 9.03 4.88 1.08 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 0.00 0.00 0.00 95 K 9.08 4.89 0.00 2.00 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.50 7.81 96 G 8.39 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 0.00 0.00 0.00 0.00 97 R 8.86 4.19 0.00 2.06 1.93 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 98 K 8.51 4.19 0.00 1.42 1.52 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.99 0.98 7.81 99 M 9.28 4.53 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 100 N 7.88 5.88 0.00 2.88 3.01 0.00 0.00 6.43 7.00 0.00 0.00 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 G 8.57 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 0.00 102 E 8.05 4.71 0.00 1.77 1.71 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 2.33 2.28 0.00 103 Y 8.48 4.81 0.00 1.43 2.33 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 0.00 104 V 8.69 4.62 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 0.99 0.00 0.00 0.86 0.00 0.00 105 L 9.10 5.13 0.00 1.53 1.47 -0.53 -0.39 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 0.00 106 I 9.16 4.73 1.90 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 1.13 0.77 0.88 0.00 0.00 107 K 8.41 4.12 0.00 0.79 0.88 0.00 1.33 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.83 0.21 7.81 108 T 8.43 4.64 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 1.13 0.00 0.00 109 K 8.57 4.08 0.00 1.74 1.89 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.42 7.81 110 V 7.84 4.15 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 0.66 0.00 0.00 0.93 0.00 0.00 111 G 6.81 4.04 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 0.00 0.00 0.00 112 W 8.73 5.44 0.00 3.50 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 0.00 113 L 9.11 5.33 0.00 1.59 1.53 0.93 0.55 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 0.00 114 L 9.12 5.11 0.00 1.58 1.46 0.94 0.73 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 0.00 115 M 8.99 5.22 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.23 0.00 116 K 8.47 4.37 0.00 1.64 1.58 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.01 0.31 7.81 117 A 8.19 4.10 1.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.