NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 3.3285 8.1133 120.7238 56.3818 32.1764 177.5563 3 T 3.5429 7.5864 114.1911 65.5469 68.3958 174.6613 4 L 3.9517 8.5443 122.9968 58.3232 42.4181 178.4921 5 L 4.1503 7.7845 118.1387 57.9561 41.6431 179.4270 6 I 3.0217 7.6414 119.5664 64.2884 36.9110 178.7346 7 R 3.9470 8.1244 118.9261 59.3904 29.9169 178.2465 8 Y 2.9249 8.3442 119.6284 60.4453 38.5208 178.0222 9 I 3.1396 7.6184 119.8372 64.3805 37.6025 178.0713 10 L 3.5925 7.7629 119.4307 57.3742 41.4127 179.4586 11 W 4.2626 8.3116 128.5035 60.3965 30.8733 177.7464 12 R 3.1810 8.2556 118.0448 57.9303 29.1042 177.0827 13 N 5.0258 7.9814 117.4586 53.7770 39.4863 175.1695 14 D 4.7277 7.5067 116.0708 51.7839 41.0230 175.5119 15 N 3.4655 8.3753 116.9421 53.9338 38.3858 172.8411 16 D 4.5058 8.1353 116.3884 54.3175 41.5667 176.6949 17 Q 4.2799 9.2070 128.8979 59.5188 29.2260 178.5381 18 T 3.7436 8.3635 107.1776 64.0866 68.6843 174.3571 19 Y 4.7002 7.7239 117.9597 57.8029 38.2741 174.9928 20 Y 3.8883 8.0407 122.1329 57.0051 39.9985 174.0138 21 N 4.0052 5.7700 120.3656 50.8028 41.9262 175.0076 22 D 4.7206 8.1387 126.8824 56.4431 40.7033 178.7693 23 D 4.4730 8.9511 120.4792 57.0093 40.1971 178.3882 24 F 4.3330 7.9874 119.0671 60.2331 38.5196 176.9492 25 K 3.9459 7.6868 118.6602 60.0092 31.9624 178.2628 26 K 4.0552 7.5380 115.8980 59.1614 32.4499 180.2589 27 L 4.0409 7.3850 119.5544 54.2910 40.6770 179.2830 *29 L 4.3142 8.0657 120.1496 54.8689 43.7742 179.3675 30 L 4.0802 7.8834 118.1501 57.3032 41.3082 178.8694 31 D 4.4754 8.3452 118.9315 57.7841 40.4661 178.3845 32 E 3.9773 7.7955 117.5969 59.5277 29.6415 178.5159 33 L 4.1772 7.9183 115.4534 55.7071 41.7536 176.8317 34 V 4.3235 7.7075 119.5548 60.5502 33.2025 174.4085 35 D 4.4955 8.5842 127.0271 53.9795 41.7449 176.3020 36 D 4.6761 8.8384 125.9344 55.8103 40.6613 178.7608 37 G 3.5678 8.0706 108.7995 47.2668 0.0000 175.5706 38 D 4.3603 8.0531 121.6818 56.9239 40.8928 178.7813 39 V 3.5348 7.8294 117.9636 66.3002 31.4606 177.6031 40 S 4.0858 7.9949 112.5013 61.7958 62.0958 176.0764 41 T 3.8125 8.1486 118.4250 66.6899 68.0210 175.7226 42 L 3.8644 8.0790 121.1107 58.7368 42.1110 178.5911 43 I 3.7913 7.9580 118.7972 64.5016 37.1929 177.9416 44 K 4.1139 7.7917 118.9069 59.3842 32.2188 180.3110 45 N 4.5480 7.9811 115.9073 52.8443 39.0073 175.4940 *47 R 4.0225 8.0529 116.4657 56.4128 31.5863 177.4207 *49 T 4.0896 7.9268 107.0150 60.1127 71.1066 173.0846 50 L 3.5749 7.1012 121.0129 54.8163 39.3846 173.2954 51 S 4.4965 7.2065 109.3083 57.4437 65.8974 175.6031 52 D 4.1548 9.0804 121.2513 57.8814 41.2436 181.4371 53 G 3.0692 7.8132 98.4212 42.7633 0.0000 174.9100 54 P 4.2109 0.0000 0.0000 65.3559 32.2003 177.6856 55 L 3.9204 7.7585 118.1525 58.1565 41.8687 178.6853 56 L 3.9164 7.6435 117.7755 57.8266 41.7729 179.0578 57 D 4.4594 8.0544 118.7472 57.4593 40.8828 178.7735 58 R 4.0513 8.0199 119.1043 59.4501 29.8418 178.3551 59 L 4.1639 7.9806 117.4730 56.8120 41.7144 178.0747 60 N 4.6852 7.8588 114.7641 52.8162 39.0436 175.1832 61 Q 4.2200 7.1335 119.3005 55.0236 29.4847 174.3228 62 P 4.4702 0.0000 0.0000 62.3899 32.0457 176.8629 63 V 4.3088 8.0731 118.8507 61.8597 32.8780 174.6207 64 N 5.0054 9.9702 125.3215 52.8187 39.3252 174.8259 65 N 4.9350 7.3073 116.5476 51.7319 40.8855 174.9198 66 I 3.2276 8.2584 120.6066 63.9470 37.9396 177.6066 67 E 3.8650 8.1062 119.9456 59.0839 29.3390 177.9508 68 D 4.3081 8.7409 118.0713 57.4770 41.0182 178.3425 69 A 4.0600 7.2536 119.3097 55.4494 18.6173 179.2622 70 K 4.0400 8.2102 116.8097 59.6382 32.1056 180.1175 71 R 4.2198 7.9215 116.8860 56.7767 29.8487 178.2569 *73 I 4.1638 7.8056 119.3390 60.9263 39.4195 177.9278 74 A 4.0633 8.2718 121.9428 55.3804 18.2469 179.5345 75 I 3.6440 8.4038 117.3783 64.2517 37.9634 178.3488 76 S 4.1444 8.0750 115.4239 61.4524 62.8119 176.1709 77 A 3.7567 8.3378 123.8321 55.2020 18.0981 179.9264 78 K 3.9454 8.4264 117.3430 59.3008 32.0315 179.8562 79 V 3.5454 7.9387 118.3854 66.0464 31.6147 177.7216 80 A 4.2045 8.4704 120.8977 55.4458 17.7458 179.5606 81 R 4.2520 7.7186 118.2690 59.3449 30.1154 178.4923 82 D 4.4151 8.3513 117.7732 56.5704 40.9284 178.2685 83 I 3.8350 7.8976 119.6206 62.4226 38.3652 175.6276 84 G 4.1794 6.6879 106.5703 44.0928 0.0000 173.5729 85 E 4.4379 8.5376 121.4421 57.3632 30.0308 177.5510 86 R 4.1863 7.8549 115.2142 56.8057 30.5125 176.3988 87 S 4.2248 7.8450 115.2777 58.3740 62.7685 175.0063 88 E 4.2580 8.5239 126.6696 55.6125 27.1717 174.5888 89 I 4.0632 7.2932 121.3245 59.1053 39.5614 177.7587 90 R 4.2455 7.8920 126.1055 54.2450 28.1133 176.8286 91 W 3.9314 8.1068 123.7851 59.5344 29.3785 177.2812 92 E 4.2648 8.3780 118.0656 59.5628 28.8843 179.0823 93 E 4.0394 8.0150 118.0401 59.6189 29.5024 179.5221 94 S 4.0025 7.7663 114.5297 61.7233 62.8842 176.7385 95 F 4.0209 7.9070 120.4282 60.5419 38.3348 177.8666 96 T 3.9646 7.7264 114.7386 66.7058 68.7127 176.4857 97 I 3.8442 7.6896 121.5013 64.2967 36.9890 177.9141 98 L 3.9465 7.7733 120.0337 58.6982 42.1010 178.9905 99 F 4.9479 8.3756 117.5374 60.1534 38.5765 177.9518 100 R 4.0689 7.5318 114.4326 57.1779 29.8878 177.0895 *102 I 4.2695 7.6721 110.0637 59.4984 39.7918 176.5505 103 E 2.0000 8.3482 123.1769 59.6583 28.9642 178.7564 104 T 3.7876 7.6263 110.9791 64.5986 67.3258 174.5912 105 Y 4.5178 8.1325 117.6231 58.0365 37.7781 177.0180 106 F 4.6861 7.7800 119.4763 61.0691 39.1309 176.5623 107 D 4.6752 8.3413 117.1612 58.1255 41.0377 178.8831 108 D 4.6354 8.2051 118.3003 56.9793 40.7797 178.9430 109 L 4.3258 8.3053 118.2331 55.1397 41.0178 179.2397 *111 I 4.1025 7.6981 120.4409 61.5605 38.9223 177.7111 112 D 4.0952 8.4586 118.3888 56.6589 41.1763 177.0346 113 L 4.1235 7.9085 117.7071 55.5440 42.6914 175.3279 114 Y 4.6661 7.0320 114.0793 56.4567 41.3120 175.5327 *115 G 3.7274 8.6616 109.2550 46.6985 0.0000 172.7168 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 R 8.11 3.33 0.00 1.54 1.72 0.00 3.08 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.00 3 T 7.59 3.54 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 1.15 0.00 0.00 4 L 8.54 3.95 0.00 1.66 1.57 1.07 0.61 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 5 L 7.78 4.15 0.00 1.92 2.03 1.07 1.04 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 6 I 7.64 3.02 1.81 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 0.29 0.72 0.65 0.00 0.00 7 R 8.12 3.95 0.00 2.12 2.27 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 8 Y 8.34 2.92 0.00 2.52 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 9 I 7.62 3.14 1.96 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 1.75 1.21 0.51 0.00 0.00 10 L 7.76 3.59 0.00 1.78 1.55 0.89 0.25 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 11 W 8.31 4.26 0.00 3.64 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 12 R 8.26 3.18 0.00 1.43 1.50 0.00 3.02 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 13 N 7.98 5.03 0.00 2.38 2.59 0.00 0.00 6.98 8.08 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 14 D 7.51 4.73 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 3.47 0.00 2.57 2.84 0.00 0.00 7.08 8.38 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 16 D 8.14 4.51 0.00 3.06 3.04 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 17 Q 9.21 4.28 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 18 T 8.36 3.74 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 1.24 0.00 0.00 19 Y 7.72 4.70 0.00 3.32 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 20 Y 8.04 3.89 0.00 2.85 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 21 N 5.77 4.01 0.00 2.04 1.42 0.00 0.00 6.93 8.49 0.00 0.00 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 D 8.14 4.72 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.95 4.47 0.00 2.42 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.33 0.00 2.57 3.13 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 25 K 7.69 3.95 0.00 2.04 1.88 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.62 7.81 26 K 7.54 4.06 0.00 1.74 1.47 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 L 7.38 4.04 0.00 1.05 0.85 0.57 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *29 L 8.07 4.31 0.00 2.04 1.74 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.88 4.08 0.00 1.86 1.77 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.35 4.48 0.00 2.82 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 32 E 7.80 3.98 0.00 1.89 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 2.37 2.44 0.00 33 L 7.92 4.18 0.00 1.64 1.72 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.71 4.32 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 0.78 0.00 0.00 0.99 0.00 0.00 35 D 8.58 4.50 0.00 2.80 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 36 D 8.84 4.68 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 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 38 D 8.05 4.36 0.00 2.79 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 39 V 7.83 3.53 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 1.08 0.00 0.00 0.94 0.00 0.00 40 S 7.99 4.09 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 3.81 4.43 0.00 0.00 0.00 0.00 0.00 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 42 L 8.08 3.86 0.00 1.77 1.90 0.92 1.13 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 43 I 7.96 3.79 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 1.58 0.91 0.90 0.00 0.00 44 K 7.79 4.11 0.00 1.85 2.02 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 45 N 7.98 4.55 0.00 2.82 2.80 0.00 0.00 7.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 R 8.05 4.02 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 *49 T 7.93 4.09 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 1.20 0.00 0.00 50 L 7.10 3.57 0.00 1.89 1.70 0.89 0.75 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 51 S 7.21 4.50 0.00 3.84 3.87 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 52 D 9.08 4.15 0.00 2.67 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 53 G 7.81 3.07 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 0.00 0.00 0.00 54 P 0.00 4.21 0.00 2.12 2.11 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 55 L 7.76 3.92 0.00 1.68 1.74 0.91 0.50 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 56 L 7.64 3.92 0.00 1.81 1.67 0.83 0.82 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 57 D 8.05 4.46 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.05 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 59 L 7.98 4.16 0.00 1.77 1.70 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.86 4.69 0.00 2.91 2.85 0.00 0.00 7.00 7.30 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 61 Q 7.13 4.22 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 62 P 0.00 4.47 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 63 V 8.07 4.31 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 0.69 0.00 0.00 0.93 0.00 0.00 64 N 9.97 5.01 0.00 2.63 2.86 0.00 0.00 6.86 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 65 N 7.31 4.94 0.00 2.96 2.91 0.00 0.00 6.36 7.78 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 66 I 8.26 3.23 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.92 0.00 0.00 67 E 8.11 3.87 0.00 2.11 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 2.37 2.44 0.00 68 D 8.74 4.31 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 4.06 1.10 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 0.00 0.00 70 K 8.21 4.04 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 71 R 7.92 4.22 0.00 2.09 1.91 0.00 3.12 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *73 I 7.81 4.16 2.14 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 1.55 0.86 1.13 0.00 0.00 74 A 8.27 4.06 1.45 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 75 I 8.40 3.64 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 1.53 1.21 1.01 0.00 0.00 76 S 8.07 4.14 0.00 4.14 3.96 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 0.00 0.00 0.00 77 A 8.34 3.76 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 78 K 8.43 3.95 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 79 V 7.94 3.55 2.28 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 1.13 0.00 0.00 1.04 0.00 0.00 80 A 8.47 4.20 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.72 4.25 0.00 1.83 2.05 0.00 3.09 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 82 D 8.35 4.42 0.00 2.64 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 83 I 7.90 3.83 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 1.11 0.00 0.00 84 G 6.69 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.54 4.44 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 2.29 2.28 0.00 86 R 7.85 4.19 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 87 S 7.85 4.22 0.00 3.88 3.77 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 88 E 8.52 4.26 0.00 1.91 1.86 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 2.29 2.32 0.00 89 I 7.29 4.06 0.78 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 -0.55 0.00 0.00 90 R 7.89 4.25 0.00 1.69 1.88 0.00 3.35 0.00 0.00 3.37 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 91 W 8.11 3.93 0.00 3.39 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 92 E 8.38 4.26 0.00 2.12 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 0.00 2.50 2.63 0.00 93 E 8.02 4.04 0.00 2.01 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 0.00 2.30 2.30 0.00 94 S 7.77 4.00 0.00 3.64 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 95 F 7.91 4.02 0.00 3.23 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 T 7.73 3.96 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 1.26 0.00 0.00 97 I 7.69 3.84 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.90 0.00 0.00 98 L 7.77 3.95 0.00 1.57 1.71 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.38 4.95 0.00 3.22 3.16 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 0.00 0.00 0.00 0.00 100 R 7.53 4.07 0.00 2.12 2.09 0.00 3.32 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 *102 I 7.67 4.27 2.05 0.00 0.00 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 1.87 1.31 1.00 0.00 0.00 103 E 8.35 2.00 0.00 2.03 1.80 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 2.11 1.92 0.00 104 T 7.63 3.79 4.10 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 0.85 0.00 0.00 105 Y 8.13 4.52 0.00 3.14 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 0.00 106 F 7.78 4.69 0.00 3.05 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 0.00 107 D 8.34 4.68 0.00 2.69 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 0.00 108 D 8.21 4.64 0.00 2.84 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 0.00 109 L 8.31 4.33 0.00 2.10 1.78 1.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *111 I 7.70 4.10 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.94 0.00 0.00 112 D 8.46 4.10 0.00 2.76 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 0.00 113 L 7.91 4.12 0.00 1.43 0.36 0.82 0.41 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 0.00 114 Y 7.03 4.67 0.00 2.77 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 *115 G 8.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.