NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.6558 8.2033 115.6599 58.5844 31.0133 174.8394 4 H 4.3281 7.8315 117.8296 58.6343 29.0546 174.3613 5 E 4.0756 8.9944 121.8780 59.1806 29.7629 178.6345 6 L 4.0885 7.8834 118.7462 57.6578 41.8623 179.4487 7 S 4.1178 7.8209 113.7141 61.5037 62.8046 176.5850 8 A 4.0199 8.1278 123.5805 55.0171 18.1174 179.4859 9 L 3.9681 7.9858 118.9276 58.0669 42.0523 179.1694 10 R 3.9434 8.2168 119.0518 59.3094 30.0035 178.5856 11 I 3.7261 7.8394 119.5191 63.9658 36.9806 178.2734 12 A 3.9433 7.9554 121.6151 55.4228 18.3952 179.8576 13 I 3.8165 7.8540 118.4801 64.3222 37.0289 178.9105 14 G 3.6663 8.2797 106.9386 47.9264 0.0000 175.6474 15 E 4.0370 8.2289 120.8456 58.9766 29.2299 179.1419 16 L 4.0663 7.6004 119.4450 57.2018 42.1535 177.9450 17 L 4.4672 7.4968 116.3334 52.9965 42.6413 176.0960 18 E 3.7980 7.8640 117.3817 57.2933 27.5696 175.3024 19 K 4.2322 8.1633 116.6145 56.1147 33.5261 177.7410 20 E 4.2791 8.7671 121.0793 55.5569 30.5026 177.9653 21 A 4.0118 8.7227 122.0415 56.1373 18.1284 179.7795 22 H 4.1190 8.2571 113.8586 59.1806 28.5323 177.6000 23 D 4.4641 8.0048 119.6318 56.4542 40.9301 177.7076 24 L 4.7481 7.5213 118.4114 53.7037 42.1179 177.7460 25 L 3.7581 7.5267 120.8836 59.1123 41.8317 178.1700 26 H 4.1428 8.2662 116.7795 59.6367 29.8666 176.7058 27 E 3.8889 8.3037 119.4552 59.9264 29.3330 179.8241 28 R 4.0529 8.0630 117.5546 59.1901 29.5903 179.0959 29 E 4.0646 8.3065 120.7406 59.9593 29.3468 179.1561 30 E 4.4360 8.3316 115.0030 58.7233 29.8494 178.4644 31 L 4.7217 7.3126 117.8435 55.7567 44.1370 177.1412 32 A 4.0137 7.7981 121.0209 55.1944 17.8589 176.7184 33 P 4.0109 0.0000 0.0000 65.9708 31.9414 178.0562 34 V 3.5596 7.7694 116.4898 64.9416 31.7266 178.0786 35 L 4.1103 8.2109 118.6140 58.3716 41.4572 179.0808 36 G 3.6968 7.9381 104.6804 47.9624 0.0000 175.2192 37 Q 4.3874 7.9832 121.3810 56.4668 29.9734 176.2282 38 R 4.9843 7.8106 118.0611 52.1742 31.1969 173.8926 39 P 4.3033 0.0000 0.0000 64.6124 31.6740 178.2210 40 E 3.9355 8.0425 118.8940 59.6965 29.5281 179.0225 41 L 4.0694 7.4856 118.2817 57.2075 41.7105 179.6378 42 K 3.9221 7.8154 119.4453 59.5818 32.4235 178.8961 43 R 3.9188 8.0204 118.3553 59.0404 29.7377 178.6611 44 L 3.8919 7.7304 118.7310 58.3633 42.2296 178.8339 45 A 4.2826 7.9835 118.8117 54.3896 18.3556 178.3266 46 E 4.4514 7.6219 113.9010 54.9476 30.4332 176.2514 47 A 4.0417 7.4438 123.3059 52.5850 18.7161 177.6783 48 K 4.3965 8.6515 121.7379 56.6356 33.7379 176.9690 49 T 4.7064 7.3596 108.9943 59.1582 72.7698 174.8163 50 L 3.9640 8.2730 121.8702 57.7427 41.7409 178.1461 51 P 4.2376 0.0000 0.0000 65.4666 31.3194 178.5873 52 A 4.0267 7.8212 119.8860 54.9036 18.2488 179.4688 53 L 3.9379 8.0292 119.0805 58.2360 42.0370 179.1184 54 E 3.9738 8.1343 118.7911 59.2851 29.4283 178.8921 55 E 3.8970 8.2705 119.2714 59.0295 29.6721 178.7837 56 A 3.9592 8.1352 120.9336 55.0750 18.5043 179.3455 57 L 3.8946 8.0255 118.9508 58.2463 42.0011 179.1397 58 R 3.8921 8.2953 118.9411 59.5648 30.0579 178.4144 59 E 3.9746 8.3302 118.1590 59.2202 29.3999 179.2307 60 A 4.1095 7.9652 121.0554 55.0866 18.3619 179.6122 61 L 3.9918 8.0049 117.5538 58.0047 41.7347 179.8038 62 L 4.0064 7.7855 119.0335 57.7124 41.4884 179.0478 63 H 4.3928 7.7340 118.5278 58.5681 29.9248 177.1180 64 L 3.9844 8.0535 122.2787 58.0183 41.9574 178.5701 65 E 3.9487 8.5768 119.8405 59.0933 29.4891 178.6228 66 E 3.8619 7.9543 118.2501 59.4470 29.6673 179.2837 67 R 3.6101 7.8231 118.3792 59.1723 29.7255 178.3239 68 A 4.0663 7.4974 119.3241 54.5553 18.5245 179.0221 69 A 4.1218 7.5732 118.3769 54.6790 18.5770 179.5548 70 Q 4.1672 7.6338 116.2820 57.5573 30.5159 176.6135 71 E 5.1803 7.4925 119.3280 53.0740 29.2001 174.7670 72 P 4.4262 0.0000 0.0000 65.0347 32.3727 177.9908 73 E 4.0238 8.3488 115.5925 57.8643 29.7639 175.5816 74 E 4.3988 8.0031 121.4197 53.5466 29.4010 174.1710 75 P 4.4311 0.0000 0.0000 64.8650 31.2165 177.3882 76 Y 3.9592 8.7211 120.6895 60.4576 38.5266 177.7492 77 W 4.3451 7.5232 120.0262 60.0489 29.2047 178.7681 78 R 4.1309 8.1534 117.5514 58.7779 29.4733 179.2718 79 G 3.4382 7.7323 105.3760 47.6175 0.0000 175.4628 80 L 3.7508 7.5028 123.7588 57.4532 42.0672 178.5386 81 L 3.9152 8.1260 120.6005 58.2331 41.9744 178.6991 82 L 3.9051 8.0192 119.7419 58.1868 41.8142 178.8122 83 A 3.9817 7.8971 119.5131 55.2165 18.3854 179.5130 84 V 3.6919 7.9289 116.1443 65.9763 31.8828 177.8260 85 E 4.1531 8.2980 118.3192 59.1316 29.3949 179.9503 86 A 4.0637 7.8840 118.0641 52.7342 18.3560 178.7249 *88 E 4.2016 8.2765 123.8483 57.6760 31.7399 178.2275 89 G 3.6419 8.1100 105.4714 47.8697 0.0000 175.9773 90 R 4.0266 7.9765 120.0171 58.5839 29.9664 178.9250 91 L 3.9476 7.7260 119.9513 57.9992 42.1594 178.7868 92 K 3.8626 8.1040 118.2247 59.5169 32.0178 178.9306 93 A 3.9836 7.9909 120.8120 55.2221 18.3087 179.4415 94 L 3.8945 8.0060 118.6889 58.3076 42.1681 179.2182 95 R 3.8830 8.2923 118.6301 59.2937 29.9359 178.2780 96 A 4.0644 8.4192 121.0814 55.1525 18.3429 179.5067 97 E 3.8954 8.3209 116.9205 59.5735 29.5909 179.4637 98 A 4.0522 8.0554 120.8340 54.9315 18.5180 179.3132 99 E 3.8608 8.7706 118.0444 59.3783 29.6803 178.9182 100 A 4.0335 8.3244 121.1328 55.1146 18.4760 179.2957 101 L 3.8959 8.0456 118.8663 58.4893 41.9273 178.5223 102 Y 4.0743 8.2166 119.4308 60.8127 38.6906 178.2606 103 Q 3.8705 8.2185 118.6008 59.1428 28.8374 178.3533 104 D 4.3966 8.3900 120.0330 57.0422 40.5315 178.6004 105 L 3.9101 7.7070 119.0733 57.9484 42.0716 178.8856 106 D 4.3262 7.5013 116.9609 57.2133 41.2231 177.9171 107 A 3.9852 7.8837 121.3290 55.2873 18.3951 179.2385 108 L 3.8992 8.7190 119.4099 58.6294 41.7669 178.6716 109 H 4.1857 8.1535 117.9598 58.9923 29.5128 177.5575 110 G 3.6410 7.9419 106.5952 47.9125 0.0000 175.3787 111 R 4.0812 8.0380 120.8332 58.9003 30.0822 178.3293 112 L 3.9662 7.9491 119.6635 58.9289 41.8334 178.5910 113 H 4.4976 7.6763 112.6378 57.4645 28.8042 177.0688 114 R 4.2890 7.9666 119.9264 58.2595 30.4965 178.2593 115 L 4.1156 7.8752 117.4755 56.3193 43.2302 177.4617 116 F 4.8564 8.1722 114.7333 55.1648 39.1623 173.4939 117 P 4.4883 0.0000 0.0000 63.1173 31.0932 177.0096 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 3 C 8.20 4.66 0.00 3.17 3.32 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 4 H 7.83 4.33 0.00 3.32 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.99 4.08 0.00 2.09 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 2.41 2.47 0.00 6 L 7.88 4.09 0.00 1.70 1.72 0.94 0.96 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 7 S 7.82 4.12 0.00 4.10 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 8 A 8.13 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 9 L 7.99 3.97 0.00 1.90 1.68 0.92 0.88 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 10 R 8.22 3.94 0.00 2.17 1.91 0.00 3.24 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 I 7.84 3.73 2.01 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 1.46 0.75 0.91 0.00 0.00 12 A 7.96 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.82 1.87 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 1.71 1.30 0.91 0.00 0.00 14 G 8.28 3.67 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 0.00 0.00 0.00 15 E 8.23 4.04 0.00 2.21 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 2.49 2.46 0.00 16 L 7.60 4.07 0.00 1.59 1.91 0.92 1.46 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 L 7.50 4.47 0.00 1.69 1.67 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.86 3.80 0.00 2.10 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 2.26 2.26 0.00 19 K 8.16 4.23 0.00 1.73 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.56 7.81 20 E 8.77 4.28 0.00 2.18 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 2.34 2.26 0.00 21 A 8.72 4.01 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 22 H 8.26 4.12 0.00 3.20 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.00 4.46 0.00 2.84 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 24 L 7.52 4.75 0.00 1.64 1.67 0.93 0.83 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 25 L 7.53 3.76 0.00 1.86 1.73 0.90 1.40 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 26 H 8.27 4.14 0.00 3.22 3.31 0.00 5.77 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 27 E 8.30 3.89 0.00 2.25 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 2.41 2.48 0.00 28 R 8.06 4.05 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 29 E 8.31 4.06 0.00 2.23 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 2.34 2.58 0.00 30 E 8.33 4.44 0.00 2.04 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 2.26 2.18 0.00 31 L 7.31 4.72 0.00 1.71 1.85 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.80 4.01 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 33 P 0.00 4.01 0.00 2.17 1.99 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 34 V 7.77 3.56 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 1.05 0.00 0.00 0.86 0.00 0.00 35 L 8.21 4.11 0.00 1.71 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.94 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 37 Q 7.98 4.39 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 38 R 7.81 4.98 0.00 1.94 1.80 0.00 3.12 0.00 0.00 3.26 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 39 P 0.00 4.30 0.00 2.25 2.29 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 40 E 8.04 3.94 0.00 2.01 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 0.00 2.40 2.40 0.00 41 L 7.49 4.07 0.00 1.79 1.71 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.82 3.92 0.00 1.81 1.94 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.52 7.81 43 R 8.02 3.92 0.00 2.04 1.96 0.00 3.18 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 1.64 1.63 0.00 44 L 7.73 3.89 0.00 1.70 1.87 0.92 1.01 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 45 A 7.98 4.28 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 46 E 7.62 4.45 0.00 1.98 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 2.26 2.64 0.00 47 A 7.44 4.04 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 48 K 8.65 4.40 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.34 7.81 49 T 7.36 4.71 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 1.20 0.00 0.00 50 L 8.27 3.96 0.00 1.68 1.74 0.91 0.99 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 51 P 0.00 4.24 0.00 2.13 2.07 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 52 A 7.82 4.03 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 53 L 8.03 3.94 0.00 1.95 1.85 0.92 0.77 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 54 E 8.13 3.97 0.00 2.22 1.97 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 2.32 2.42 0.00 55 E 8.27 3.90 0.00 2.04 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 2.30 2.32 0.00 56 A 8.14 3.96 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 57 L 8.03 3.89 0.00 1.83 1.89 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.30 3.89 0.00 2.08 2.06 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 59 E 8.33 3.97 0.00 2.20 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 2.49 2.47 0.00 60 A 7.97 4.11 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 61 L 8.00 3.99 0.00 1.91 1.74 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.79 4.01 0.00 1.78 1.70 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.73 4.39 0.00 3.23 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.05 3.98 0.00 2.01 1.85 1.11 0.81 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 65 E 8.58 3.95 0.00 2.18 1.90 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 2.29 2.34 0.00 66 E 7.95 3.86 0.00 2.09 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 2.27 2.58 0.00 67 R 7.82 3.61 0.00 1.50 1.65 0.00 2.26 0.00 0.00 2.64 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 68 A 7.50 4.07 1.46 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 69 A 7.57 4.12 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 70 Q 7.63 4.17 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 71 E 7.49 5.18 0.00 2.16 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 0.00 2.30 2.19 0.00 72 P 0.00 4.43 0.00 2.08 2.15 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 73 E 8.35 4.02 0.00 2.15 2.25 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 2.44 2.30 0.00 74 E 8.00 4.40 0.00 2.16 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 1.83 1.78 0.00 75 P 0.00 4.43 0.00 2.31 2.31 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 76 Y 8.72 3.96 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.52 4.35 0.00 3.37 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 78 R 8.15 4.13 0.00 1.87 1.99 0.00 3.17 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 79 G 7.73 3.44 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 0.00 80 L 7.50 3.75 0.00 1.07 1.55 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.13 3.92 0.00 1.96 1.87 0.99 0.43 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 82 L 8.02 3.91 0.00 2.04 1.76 0.92 0.88 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 83 A 7.90 3.98 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 84 V 7.93 3.69 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 0.87 0.00 0.00 0.98 0.00 0.00 85 E 8.30 4.15 0.00 2.31 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 2.33 2.43 0.00 86 A 7.88 4.06 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 *88 E 8.28 4.20 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 2.27 2.31 0.00 89 G 8.11 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 90 R 7.98 4.03 0.00 1.91 1.99 0.00 3.13 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 91 L 7.73 3.95 0.00 1.75 1.82 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.10 3.86 0.00 2.05 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.46 7.81 93 A 7.99 3.98 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 94 L 8.01 3.89 0.00 1.86 1.88 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.29 3.88 0.00 1.90 2.03 0.00 3.26 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 96 A 8.42 4.06 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 97 E 8.32 3.90 0.00 2.24 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 2.34 2.41 0.00 98 A 8.06 4.05 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 99 E 8.77 3.86 0.00 2.19 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 0.00 2.30 2.40 0.00 100 A 8.32 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.90 0.00 1.82 1.90 0.93 0.68 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 0.00 102 Y 8.22 4.07 0.00 3.11 3.18 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 0.00 103 Q 8.22 3.87 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 104 D 8.39 4.40 0.00 2.76 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 0.00 105 L 7.71 3.91 0.00 1.68 1.65 0.94 0.87 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 0.00 106 D 7.50 4.33 0.00 2.66 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 0.00 107 A 7.88 3.99 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 0.00 108 L 8.72 3.90 0.00 1.86 1.87 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.15 4.19 0.00 3.32 3.56 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.94 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 0.00 111 R 8.04 4.08 0.00 1.97 2.03 0.00 3.34 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 112 L 7.95 3.97 0.00 1.84 1.53 0.77 0.83 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 0.00 113 H 7.68 4.50 0.00 3.14 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.97 4.29 0.00 1.95 1.98 0.00 3.33 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 115 L 7.88 4.12 0.00 1.89 1.60 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.17 4.86 0.00 2.88 2.98 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 0.00 0.00 0.00 117 P 0.00 4.49 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.