NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5480 8.1727 120.1036 56.2255 34.5728 173.7413 3 K 4.9154 9.4782 124.7147 54.3337 34.8381 173.0629 4 I 4.7543 8.9272 129.0357 59.4547 40.2740 173.8303 5 L 4.8176 8.6206 129.5312 53.9217 43.6428 175.0148 6 I 4.5169 8.5361 128.3744 59.9218 39.1998 175.0342 7 V 4.5380 8.8973 128.3782 61.2716 33.0418 173.6406 8 D 5.2339 8.3956 127.7667 52.8316 44.4649 175.3278 9 D 4.9679 8.7042 122.7274 53.3043 40.3965 176.4211 10 E 4.6102 8.4058 121.5081 54.5119 31.1846 176.1608 11 K 4.1499 8.7409 125.9485 59.1861 32.1909 176.4538 12 P 4.2789 0.0000 0.0000 65.9286 31.2633 178.5231 13 I 3.9026 7.7475 117.7785 64.0668 37.2943 177.8918 14 S 4.1342 8.0957 114.0328 61.8465 62.0932 176.1925 15 D 4.5593 8.3994 121.2971 57.3705 40.6542 178.8893 16 I 3.7930 7.7025 120.3569 64.4750 37.0570 178.6338 17 I 3.8985 8.0573 120.7076 64.1107 36.8875 178.2438 18 K 3.8978 8.6385 120.9478 59.5295 31.9371 178.2130 19 F 4.1044 8.5086 120.9519 61.7408 39.1279 176.9826 20 N 4.3343 8.3446 115.3689 56.5553 38.4908 177.4878 21 M 4.2871 8.4162 120.3334 58.6081 31.9385 179.0132 22 T 3.9928 8.3008 116.2924 66.7259 68.4584 176.6314 23 K 3.6396 7.6885 119.1399 59.5847 32.1100 178.4025 24 E 4.1424 7.5792 116.5964 56.8345 29.5916 177.5154 25 G 3.8543 7.9251 107.8800 45.1944 0.0000 173.1349 26 Y 4.6948 7.1308 116.3176 57.0320 39.3215 174.6943 27 E 4.4279 8.9661 123.1836 55.5106 31.2950 175.1115 28 V 4.8915 8.4364 126.1506 61.2350 33.9081 174.8090 29 V 4.7176 8.7373 120.9269 59.7562 34.7809 174.7705 30 T 5.0726 8.4096 111.9986 60.0934 72.0296 172.9004 31 A 4.8027 8.2094 123.0633 50.7568 22.6413 176.8086 32 F 5.0111 10.0967 117.9707 56.3231 40.4622 174.6267 33 N 5.0450 7.7238 118.3882 50.4489 41.4306 175.2236 34 G 3.6956 8.6015 107.7631 47.2947 0.0000 175.6970 35 R 3.9161 7.9860 120.6556 59.3747 30.1693 178.3493 36 E 4.0216 9.4036 118.5668 59.1270 29.3801 179.1399 37 A 3.9926 8.1171 120.9025 55.3410 18.4910 179.7716 38 L 4.0948 8.0246 117.3889 57.9156 41.6640 179.5359 39 E 3.9932 8.2617 118.6106 59.6964 29.4017 179.5499 40 Q 4.0158 8.5508 118.4221 58.6577 28.7635 178.4297 41 F 4.1881 8.4308 121.8454 61.3112 39.2404 177.1359 42 E 3.4001 7.8449 116.6497 59.2703 29.3817 178.8807 43 A 4.1129 7.9240 119.3432 54.1902 18.6983 178.5794 44 E 4.2532 8.4742 115.6727 55.2932 31.8463 176.1198 45 Q 3.2000 7.6082 116.8430 55.9404 26.5083 171.8308 46 P 4.4593 0.0000 0.0000 62.9466 32.4545 177.1434 47 D 4.6067 8.5826 119.6894 56.9009 41.5505 176.5466 48 I 4.6594 7.4539 116.9207 59.7220 41.7826 173.1284 49 I 4.9199 8.5944 128.5939 59.5847 40.2980 174.4232 50 I 4.5382 8.4562 128.2594 59.8830 38.8142 174.7206 51 L 5.0233 8.8072 129.9354 52.3091 43.2064 175.1463 52 D 5.3010 8.5232 124.1851 52.4468 40.4679 177.0302 53 L 4.1066 8.2643 119.2301 54.3257 42.7323 176.3271 *58 I 3.9367 8.1491 124.7238 60.5294 38.4885 174.9838 59 D 4.4500 8.8044 123.4946 54.9151 42.4269 177.5268 60 G 3.6847 8.5015 113.3748 48.1196 0.0000 175.9478 61 L 4.0170 8.0126 120.7849 57.5402 41.6566 179.0837 62 E 3.9175 8.4425 119.3106 58.9073 29.4313 178.9640 63 V 3.4912 7.8269 118.2560 65.9825 31.6378 177.8949 64 A 3.8328 7.8243 120.3188 54.8715 17.9910 179.1934 65 K 3.7211 7.8906 117.1466 60.2232 32.3557 178.7120 66 T 3.9936 7.9611 115.7441 66.5677 68.2779 176.6542 67 I 3.3755 7.8161 121.9738 64.5063 36.9218 178.7613 68 R 4.3765 7.5220 118.0570 58.0532 29.8289 178.8100 69 K 4.0986 7.6141 118.6745 58.9472 32.1462 177.7046 70 T 4.5182 7.8375 106.0938 61.6249 70.7364 174.1246 71 S 4.6999 8.3421 116.5075 56.8363 65.5760 173.7168 72 S 4.8187 8.5955 119.8694 57.8133 63.1333 174.1924 73 V 3.6592 7.6520 120.4334 62.3217 31.3996 174.3761 74 P 4.6033 0.0000 0.0000 63.0857 32.6841 175.0781 75 I 4.8791 8.9154 124.1655 59.3074 40.7675 174.0815 76 L 4.9669 8.8434 129.4078 53.5750 44.1035 175.0674 77 M 4.7359 8.6189 126.6814 53.8057 33.8217 175.4820 78 L 5.4343 7.6194 120.9996 52.1513 45.7528 175.3500 79 S 4.7100 7.9727 113.9355 57.5000 65.0729 176.0217 80 A 4.3008 8.8002 128.0686 54.1897 18.5716 178.4683 81 K 4.1691 8.1710 116.0886 57.0039 32.2508 176.2359 82 D 4.9972 8.6901 121.9573 52.4434 40.4946 176.4691 83 S 4.4875 7.8579 114.5551 57.8976 65.2888 174.5210 84 E 3.8325 8.6359 122.7008 59.4135 29.3586 178.4642 85 F 3.9284 8.2909 120.0683 61.5253 39.3394 176.6306 86 D 4.4208 7.9813 117.9055 57.3942 40.7004 179.0168 87 K 2.6161 7.4334 118.3796 58.9994 31.9007 179.6638 88 V 3.4222 7.6186 118.5708 65.8702 31.4177 177.9685 89 I 3.6636 7.4265 118.5103 63.7291 37.8609 177.6970 90 G 3.9457 7.9054 106.7487 48.2357 0.0000 175.4949 91 L 4.1837 7.8903 121.7847 57.4563 41.4011 179.6205 92 E 4.0066 8.1694 117.7519 59.0144 29.4935 178.5392 93 L 4.3014 7.7896 116.5131 54.8794 41.9829 176.4314 94 G 3.4608 7.6196 107.3732 44.7280 0.0000 174.5378 95 A 4.1301 7.4652 123.5022 53.1347 18.7518 177.3135 96 D 4.6914 8.9525 120.8719 56.0104 41.9434 176.0694 97 D 4.7533 7.7549 116.2243 53.4572 45.0529 173.3497 98 Y 5.0693 8.3826 122.8735 56.1693 41.8298 174.1074 99 V 4.6859 8.8569 126.8644 61.2858 34.8740 174.3938 100 T 5.1248 8.6625 117.0078 60.5823 70.9994 173.8485 101 K 4.7710 8.6421 122.9282 54.7380 33.9888 174.8125 102 P 4.5408 0.0000 0.0000 61.9552 32.2182 175.3420 103 F 4.9977 7.3346 115.0350 54.6518 41.0452 174.8296 104 S 4.5564 8.4489 115.1089 57.2470 64.0626 174.3424 105 N 4.6058 8.8047 126.5647 56.8265 38.4479 177.7459 106 R 4.0148 8.0318 118.8836 59.0858 30.1948 178.6293 107 E 3.9504 8.2784 119.1814 59.1120 29.6057 178.5396 108 L 3.9116 8.1061 120.3985 58.3022 42.2134 178.9026 109 Q 4.0323 8.1988 117.7276 59.0908 28.6539 178.8439 110 A 4.0668 8.2577 121.7428 55.1866 18.3786 179.9543 111 R 3.9037 8.2272 116.7602 59.1261 30.1663 179.3276 112 V 3.4973 8.0331 118.4313 65.7770 31.4610 178.0177 113 K 3.9842 8.0684 118.9672 59.5190 31.8602 178.5594 114 A 4.0210 7.9316 119.8504 55.2565 18.0658 179.3323 115 L 4.0837 7.9783 117.4739 57.8373 41.5331 179.7691 116 L 4.0185 8.0743 119.0274 57.8251 41.3583 179.5676 117 R 3.9412 8.2014 117.5010 58.9634 30.1036 178.2284 118 R 4.3232 7.4378 115.3795 56.6307 30.4384 176.1910 119 S 4.3013 7.6916 117.6495 58.8903 63.1223 173.6586 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 K 8.17 4.55 0.00 2.06 1.89 0.00 1.63 0.00 0.00 2.02 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.54 7.81 3 K 9.48 4.92 0.00 1.81 1.63 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.50 7.81 4 I 8.93 4.75 1.77 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.12 0.81 0.00 0.00 5 L 8.62 4.82 0.00 1.77 1.53 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.54 4.52 1.75 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 1.03 0.71 0.81 0.00 0.00 7 V 8.90 4.54 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 0.87 0.00 0.00 0.85 0.00 0.00 8 D 8.40 5.23 0.00 2.70 2.37 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 9 D 8.70 4.97 0.00 2.95 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 10 E 8.41 4.61 0.00 2.20 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 0.00 2.27 2.32 0.00 11 K 8.74 4.15 0.00 1.80 1.83 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.64 7.81 12 P 0.00 4.28 0.00 2.22 2.11 0.00 3.62 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 2.14 2.21 0.00 13 I 7.75 3.90 1.95 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 1.62 0.83 1.15 0.00 0.00 14 S 8.10 4.13 0.00 3.96 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 15 D 8.40 4.56 0.00 2.98 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 16 I 7.70 3.79 2.10 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 1.49 1.17 1.00 0.00 0.00 17 I 8.06 3.90 1.91 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 1.50 0.99 0.88 0.00 0.00 18 K 8.64 3.90 0.00 1.92 2.06 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.51 7.81 19 F 8.51 4.10 0.00 3.29 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 20 N 8.34 4.33 0.00 3.01 2.96 0.00 0.00 7.11 6.95 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 21 M 8.42 4.29 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.91 0.00 22 T 8.30 3.99 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 1.17 0.00 0.00 23 K 7.69 3.64 0.00 1.67 1.70 0.00 1.17 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.96 0.48 7.81 24 E 7.58 4.14 0.00 1.72 1.70 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 2.28 2.56 0.00 25 G 7.93 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.13 4.69 0.00 3.01 2.80 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 27 E 8.97 4.43 0.00 2.10 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 2.29 2.27 0.00 28 V 8.44 4.89 2.11 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 0.89 0.00 0.00 0.98 0.00 0.00 29 V 8.74 4.72 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 0.71 0.00 0.00 0.92 0.00 0.00 30 T 8.41 5.07 3.73 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 1.17 0.00 0.00 31 A 8.21 4.80 1.13 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 0.00 0.00 32 F 10.10 5.01 0.00 3.12 3.06 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 33 N 7.72 5.05 0.00 2.97 2.95 0.00 0.00 6.09 6.92 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 34 G 8.60 3.70 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 0.00 0.00 0.00 35 R 7.99 3.92 0.00 1.91 2.12 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 36 E 9.40 4.02 0.00 2.07 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 2.39 2.50 0.00 37 A 8.12 3.99 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 38 L 8.02 4.09 0.00 1.77 1.80 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.26 3.99 0.00 2.19 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 2.35 2.48 0.00 40 Q 8.55 4.02 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 41 F 8.43 4.19 0.00 3.14 3.33 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 42 E 7.84 3.40 0.00 2.10 1.89 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 2.31 2.41 0.00 43 A 7.92 4.11 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 44 E 8.47 4.25 0.00 2.03 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 2.25 2.46 0.00 45 Q 7.61 3.20 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 46 P 0.00 4.46 0.00 2.37 2.07 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 47 D 8.58 4.61 0.00 2.65 2.75 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 48 I 7.45 4.66 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.70 0.00 0.00 49 I 8.59 4.92 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.87 0.00 0.00 50 I 8.46 4.54 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.51 0.72 0.00 0.00 51 L 8.81 5.02 0.00 1.60 1.38 0.85 1.26 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 52 D 8.52 5.30 0.00 2.69 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 53 L 8.26 4.11 0.00 1.64 1.70 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *58 I 8.15 3.94 1.78 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 1.31 1.17 0.91 0.00 0.00 59 D 8.80 4.45 0.00 2.79 2.59 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 60 G 8.50 3.68 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 61 L 8.01 4.02 0.00 1.88 1.74 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.44 3.92 0.00 2.14 2.10 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 2.30 2.31 0.00 63 V 7.83 3.49 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 0.96 0.00 0.00 0.98 0.00 0.00 64 A 7.82 3.83 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 65 K 7.89 3.72 0.00 1.80 2.01 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 T 7.96 3.99 4.34 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 1.22 0.00 0.00 67 I 7.82 3.38 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.32 0.31 0.00 0.00 68 R 7.52 4.38 0.00 1.88 1.96 0.00 3.26 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 69 K 7.61 4.10 0.00 1.91 1.88 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 70 T 7.84 4.52 4.34 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 1.27 0.00 0.00 71 S 8.34 4.70 0.00 4.13 3.84 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 72 S 8.60 4.82 0.00 4.00 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 73 V 7.65 3.66 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 0.64 0.00 0.00 1.09 0.00 0.00 74 P 0.00 4.60 0.00 2.04 1.99 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 75 I 8.92 4.88 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.78 0.83 0.00 0.00 76 L 8.84 4.97 0.00 1.57 1.39 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.62 4.74 0.00 1.56 1.75 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 2.52 2.41 0.00 78 L 7.62 5.43 0.00 1.33 1.34 0.54 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.97 4.71 0.00 3.64 3.58 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 0.00 0.00 0.00 80 A 8.80 4.30 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 81 K 8.17 4.17 0.00 1.91 2.13 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 82 D 8.69 5.00 0.00 2.79 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 83 S 7.86 4.49 0.00 4.16 4.07 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 0.00 0.00 0.00 84 E 8.64 3.83 0.00 2.04 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 2.37 2.34 0.00 85 F 8.29 3.93 0.00 3.17 3.02 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 0.00 0.00 0.00 86 D 7.98 4.42 0.00 2.91 2.79 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 87 K 7.43 2.62 0.00 1.55 1.47 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.58 1.11 7.81 88 V 7.62 3.42 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 0.97 0.00 0.00 0.87 0.00 0.00 89 I 7.43 3.66 1.15 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 0.80 0.00 0.00 90 G 7.91 3.95 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 0.00 0.00 0.00 91 L 7.89 4.18 0.00 1.79 1.69 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.17 4.01 0.00 1.83 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 2.28 2.43 0.00 93 L 7.79 4.30 0.00 1.74 1.68 0.96 0.85 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 94 G 7.62 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.47 4.13 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 96 D 8.95 4.69 0.00 2.58 2.71 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 97 D 7.75 4.75 0.00 2.67 2.42 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 Y 8.38 5.07 0.00 2.94 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 99 V 8.86 4.69 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 0.94 0.00 0.00 0.91 0.00 0.00 100 T 8.66 5.12 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 1.42 0.00 0.00 101 K 8.64 4.77 0.00 1.81 1.87 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.38 7.81 102 P 0.00 4.54 0.00 1.96 1.84 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 103 F 7.33 5.00 0.00 3.14 3.19 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 0.00 104 S 8.45 4.56 0.00 3.94 3.84 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 0.00 105 N 8.80 4.61 0.00 2.89 2.99 0.00 0.00 7.16 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 0.00 106 R 8.03 4.01 0.00 1.90 2.02 0.00 3.15 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 107 E 8.28 3.95 0.00 2.12 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 0.00 2.34 2.35 0.00 108 L 8.11 3.91 0.00 2.02 1.79 0.57 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.20 4.03 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 110 A 8.26 4.07 1.42 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 0.00 111 R 8.23 3.90 0.00 2.06 1.96 0.00 3.14 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 112 V 8.03 3.50 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 0.86 0.00 0.00 113 K 8.07 3.98 0.00 2.13 1.97 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.53 7.81 114 A 7.93 4.02 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 0.00 115 L 7.98 4.08 0.00 1.93 1.69 0.87 0.61 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 0.00 116 L 8.07 4.02 0.00 1.86 1.74 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.20 3.94 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 118 R 7.44 4.32 0.00 1.89 2.14 0.00 3.24 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 119 S 7.69 4.30 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.