NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5255 8.3049 118.3330 55.0882 31.8167 172.7825 2 E 4.5491 8.9068 126.3794 54.8860 32.3921 173.1531 3 I 4.9216 9.1371 125.9026 59.7837 39.4676 174.8713 4 K 4.8159 8.8402 125.0441 54.3616 35.9201 175.2448 5 I 4.2032 8.3814 117.4286 60.7588 37.9808 175.1004 6 L 4.6077 8.2981 126.2854 55.7150 44.2387 177.0769 7 K 4.0921 7.4182 115.2409 55.9241 35.5039 173.8476 8 S 4.9192 9.0456 122.8246 55.1316 63.3696 171.1505 9 E 4.3748 8.6708 125.1555 54.3503 29.8097 175.7305 10 S 3.9696 8.4534 122.6172 58.4249 62.3457 172.2240 11 N 5.1510 8.3189 115.8109 53.5407 40.3838 173.6386 12 Y 5.0912 8.1800 119.2264 55.9004 42.7587 173.9191 13 L 4.9529 7.7319 124.3693 53.4979 46.4301 174.2819 14 E 4.8064 9.5821 127.3689 54.4931 32.0542 174.0130 15 L 5.2234 8.6916 129.7611 53.1325 45.1573 174.4233 16 E 5.0093 8.6693 126.9978 54.4985 32.1999 174.4828 17 I 4.6246 8.8153 128.2139 59.6369 39.6171 174.0657 18 E 4.4633 9.4993 131.1682 53.2570 27.7597 176.9403 19 G 4.9497 7.3776 123.1379 45.6265 0.0000 170.1743 20 E 4.7744 7.9061 118.5676 54.5116 32.3320 175.3558 21 D 5.2297 7.9548 120.2335 52.7100 41.4177 176.4678 22 H 4.1664 9.2526 112.8795 59.9059 28.5484 176.9300 23 T 3.7989 7.9113 115.7676 66.9971 68.6259 175.7940 24 L 4.0519 7.8023 121.1761 58.1432 42.0723 178.7204 25 G 3.5527 7.5238 105.0357 48.1008 0.0000 174.8934 26 N 3.6785 7.7133 119.2003 55.9628 38.6828 176.8879 27 L 3.9095 7.4512 121.1041 57.8959 42.4534 178.7815 28 I 3.7528 7.5013 119.1248 64.4068 37.3555 178.0408 29 A 4.0878 7.7153 121.2986 55.2223 17.9672 179.9125 30 G 3.6440 7.9946 103.3582 47.3186 0.0000 175.0515 31 T 4.5148 7.4809 116.0188 63.2991 68.8114 175.1963 32 L 4.6296 7.5775 122.3147 55.1741 43.8575 179.1345 33 R 3.9052 7.9470 116.6643 58.7515 30.4635 178.1584 34 K 4.0579 8.0770 116.6927 59.2316 32.5836 177.5497 35 I 3.7448 7.2382 121.1345 61.2237 37.0807 175.8457 36 S 4.4014 8.4732 122.6163 59.7295 63.4944 173.1387 37 G 4.2782 9.0615 112.6674 45.1165 0.0000 173.6408 38 V 4.0411 7.3344 119.5203 62.4865 31.4663 175.4104 39 S 4.4425 9.3873 123.9510 60.6077 63.1286 174.2045 40 F 5.2064 8.0296 120.7717 56.4303 42.6567 173.0831 41 A 4.7706 8.4663 126.3805 50.9849 22.0146 175.1800 42 S 4.7255 8.0631 115.6140 57.4311 66.6183 172.5615 43 Y 5.3657 8.4331 118.7866 55.9006 40.8622 173.5799 44 Y 3.8899 8.8171 116.5614 56.4457 42.1562 173.3472 45 Q 4.5157 8.2470 120.6367 52.5592 29.4149 173.8892 46 P 3.8741 0.0000 0.0000 65.7796 31.2721 176.3098 47 H 4.7027 7.3579 115.4317 54.0219 33.0815 171.4161 48 P 4.8920 0.0000 0.0000 65.2489 31.3785 178.7832 49 L 3.9715 8.1229 116.4989 56.5634 41.8023 176.8843 50 T 4.4459 7.1962 108.5520 59.4519 68.7127 174.0246 51 D 4.6710 8.4832 127.0501 53.8299 40.0420 174.1966 52 K 5.1236 8.2011 122.4807 54.0648 37.2789 174.7893 53 I 4.8629 8.2364 116.4478 59.2275 40.7278 174.0693 54 I 4.9195 8.5329 127.0898 59.8421 39.4291 174.8979 55 V 4.8945 9.2601 120.3136 59.5493 34.5138 174.7493 56 K 4.7853 9.3185 124.9347 54.8751 34.7863 175.5770 57 I 4.3315 7.4325 124.0701 59.5369 41.2293 174.3620 58 L 4.7814 8.6107 128.2905 52.5811 43.3091 174.0749 59 T 4.8801 8.1403 119.5887 60.6813 68.7792 174.7142 60 D 4.4192 9.7022 128.8521 54.8482 40.3658 176.4400 61 G 3.5698 7.1855 108.3633 45.7189 0.0000 175.2757 62 S 4.2389 7.9591 117.1182 60.4222 63.3990 174.0083 63 I 4.4284 7.2046 120.4762 59.1527 39.4988 176.3432 64 A 4.2260 8.2304 124.8092 51.1791 20.0422 177.1400 65 P 4.1308 0.0000 0.0000 66.0726 31.2091 178.5062 66 K 3.9992 8.0907 118.6039 59.2730 32.0784 178.9192 67 D 4.4347 8.1049 117.7876 56.9184 40.7729 178.3428 68 A 3.9881 8.0751 121.7358 54.9596 18.1904 179.5248 69 L 3.8223 7.5710 117.5481 58.4108 42.1716 178.9462 70 L 3.9446 7.9616 118.4191 58.0383 41.5308 179.6659 71 K 3.9759 8.0969 117.9224 59.2879 31.8349 179.2586 72 A 4.0501 7.8155 120.7337 54.7844 18.3667 179.7400 73 I 3.6049 7.9655 118.7259 64.6155 37.3185 178.2518 74 E 3.9492 7.9377 120.2136 59.4924 29.3440 178.8417 75 T 3.8592 7.4977 115.2481 66.7768 68.4929 176.7448 76 V 3.5637 7.6416 119.8000 65.7232 30.9639 178.1289 77 R 3.8791 7.9741 118.7149 59.3903 29.4876 178.7299 78 V 3.9120 7.7809 117.8963 66.0177 31.4920 177.5968 79 M 4.1187 8.4560 117.8011 57.4876 31.9265 177.7660 80 A 4.2233 7.9420 121.0054 54.8406 19.5259 179.4948 81 S 4.0839 9.2454 114.0877 61.9444 62.6809 176.1422 82 H 4.5301 7.8120 119.8895 57.5329 30.0883 176.0983 83 Y 4.3455 7.4188 118.9563 60.7284 38.7922 177.0636 84 I 3.6508 8.0547 120.9562 64.4155 35.8389 177.7894 85 D 4.3286 8.2134 119.8643 57.6042 40.5491 178.5927 86 E 3.9628 7.4822 114.3537 57.4080 30.0417 177.9489 87 I 4.0659 7.1606 119.3365 62.8185 38.1141 177.4234 88 K 3.7965 7.6078 118.0433 59.6361 31.8972 178.1075 89 G 3.8068 7.2775 104.5973 46.1898 0.0000 174.3860 90 L 4.0801 7.4987 121.4857 57.1974 42.0582 177.8132 91 T 3.8756 7.5437 111.0423 64.6455 69.5613 175.2522 *92 K 4.1054 7.7427 128.6451 53.7883 32.4319 177.6959 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 1 M 8.30 4.53 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 2 E 8.91 4.55 0.00 1.88 1.87 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 2.22 2.50 0.00 3 I 9.14 4.92 1.87 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 1.34 0.41 0.91 0.00 0.00 4 K 8.84 4.82 0.00 1.64 1.66 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.64 7.81 5 I 8.38 4.20 1.89 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 1.36 0.56 0.92 0.00 0.00 6 L 8.30 4.61 0.00 1.74 1.79 0.97 0.66 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 7 K 7.42 4.09 0.00 1.84 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 8 S 9.05 4.92 0.00 3.91 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 9 E 8.67 4.37 0.00 2.07 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 2.26 2.37 0.00 10 S 8.45 3.97 0.00 4.08 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 11 N 8.32 5.15 0.00 2.67 3.06 0.00 0.00 6.23 7.48 0.00 0.00 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 8.18 5.09 0.00 3.14 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 13 L 7.73 4.95 0.00 1.74 1.29 0.93 0.63 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 14 E 9.58 4.81 0.00 2.38 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 2.31 2.36 0.00 15 L 8.69 5.22 0.00 1.78 1.46 0.92 0.69 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 16 E 8.67 5.01 0.00 2.08 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 0.00 2.19 2.24 0.00 17 I 8.82 4.62 1.86 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 1.11 0.67 0.90 0.00 0.00 18 E 9.50 4.46 0.00 1.99 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 2.28 2.25 0.00 19 G 7.38 4.95 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 20 E 7.91 4.77 0.00 1.92 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 2.20 2.18 0.00 21 D 7.95 5.23 0.00 2.91 2.94 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 22 H 9.25 4.17 0.00 3.22 3.46 0.00 5.66 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 23 T 7.91 3.80 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 1.16 0.00 0.00 24 L 7.80 4.05 0.00 1.69 1.57 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.52 3.55 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 0.00 0.00 0.00 26 N 7.71 3.68 0.00 2.39 2.58 0.00 0.00 6.82 6.23 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 27 L 7.45 3.91 0.00 1.57 1.73 0.85 0.79 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 28 I 7.50 3.75 1.79 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 1.52 0.66 0.86 0.00 0.00 29 A 7.72 4.09 1.36 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 0.00 0.00 0.00 30 G 7.99 3.64 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 0.00 0.00 0.00 31 T 7.48 4.51 4.21 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 1.19 0.00 0.00 32 L 7.58 4.63 0.00 1.87 1.60 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.95 3.91 0.00 1.80 2.00 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 34 K 8.08 4.06 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 I 7.24 3.74 1.85 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 1.28 1.22 0.90 0.00 0.00 36 S 8.47 4.40 0.00 3.86 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 37 G 9.06 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 0.00 0.00 0.00 0.00 38 V 7.33 4.04 2.32 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 0.75 0.00 0.00 0.94 0.00 0.00 39 S 9.39 4.44 0.00 3.94 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 40 F 8.03 5.21 0.00 3.06 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 41 A 8.47 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.06 4.73 0.00 3.84 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 43 Y 8.43 5.37 0.00 3.00 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 44 Y 8.82 3.89 0.00 2.80 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 45 Q 8.25 4.52 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 46 P 0.00 3.87 0.00 2.13 1.99 0.00 3.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 47 H 7.36 4.70 0.00 3.21 3.12 0.00 5.76 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 48 P 0.00 4.89 0.00 2.17 2.06 0.00 3.41 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 49 L 8.12 3.97 0.00 1.73 1.77 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.20 4.45 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 51 D 8.48 4.67 0.00 2.79 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 0.00 0.00 0.00 0.00 52 K 8.20 5.12 0.00 1.62 1.55 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.40 7.81 53 I 8.24 4.86 1.99 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 1.43 1.35 1.02 0.00 0.00 54 I 8.53 4.92 2.10 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 1.27 0.66 1.12 0.00 0.00 55 V 9.26 4.89 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 0.84 0.00 0.00 0.96 0.00 0.00 56 K 9.32 4.79 0.00 1.32 1.50 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.62 1.43 7.81 57 I 7.43 4.33 1.63 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.99 0.79 0.00 0.00 58 L 8.61 4.78 0.00 1.83 1.83 1.14 0.69 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 59 T 8.14 4.88 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 1.24 0.00 0.00 60 D 9.70 4.42 0.00 2.74 2.94 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 61 G 7.19 3.57 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 62 S 7.96 4.24 0.00 3.88 3.90 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 63 I 7.20 4.43 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 1.35 0.56 0.91 0.00 0.00 64 A 8.23 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.13 0.00 2.21 2.17 0.00 3.80 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 1.99 2.08 0.00 66 K 8.09 4.00 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.55 7.81 67 D 8.10 4.43 0.00 2.68 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 68 A 8.08 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 3.82 0.00 1.87 1.64 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.96 3.94 0.00 1.91 1.71 0.97 0.75 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 71 K 8.10 3.98 0.00 2.15 1.84 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 72 A 7.82 4.05 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 73 I 7.97 3.60 1.98 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 1.58 1.15 0.90 0.00 0.00 74 E 7.94 3.95 0.00 2.09 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 2.30 2.49 0.00 75 T 7.50 3.86 4.30 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 1.20 0.00 0.00 76 V 7.64 3.56 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 0.96 0.00 0.00 0.95 0.00 0.00 77 R 7.97 3.88 0.00 2.09 1.99 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 78 V 7.78 3.91 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 0.95 0.00 0.00 0.97 0.00 0.00 79 M 8.46 4.12 0.00 2.16 2.22 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 2.59 2.53 0.00 80 A 7.94 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 9.25 4.08 0.00 3.98 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 82 H 7.81 4.53 0.00 3.40 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.42 4.35 0.00 3.17 3.17 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 84 I 8.05 3.65 2.01 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 1.84 1.06 0.88 0.00 0.00 85 D 8.21 4.33 0.00 2.60 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 86 E 7.48 3.96 0.00 1.93 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 2.29 2.60 0.00 87 I 7.16 4.07 1.58 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.79 0.00 0.00 88 K 7.61 3.80 0.00 1.85 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 89 G 7.28 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 90 L 7.50 4.08 0.00 1.79 1.79 0.90 1.01 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 91 T 7.54 3.88 4.22 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 1.23 0.00 0.00 *92 K 7.74 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.