NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3662 8.3193 115.2897 57.6067 63.9816 173.4015 -1 N 4.3988 7.9316 116.5715 51.7765 38.3136 173.2972 0 A 3.7284 9.0048 121.4215 53.6984 20.1566 180.3476 0 A 3.7284 9.0048 121.4215 53.6984 20.1566 180.3476 3 N 4.7460 7.5151 110.4575 53.3995 38.8670 175.3960 4 I 3.9990 7.4832 119.9508 60.8713 37.8778 175.3938 5 K 4.5926 8.3622 122.1537 54.9845 35.0702 175.3906 6 I 4.3639 8.3502 122.7834 59.5661 38.6907 175.0413 7 R 4.5874 8.4777 124.3507 54.3868 32.1602 175.6090 8 Q 4.4569 8.4222 121.9788 54.1305 30.2296 175.5233 9 E 4.0273 8.4913 118.5742 56.8942 30.0186 176.7360 10 T 4.3046 8.1657 117.2107 61.4238 68.8064 173.3159 11 P 4.3802 0.0000 0.0000 63.0182 31.9551 176.0405 12 T 4.3843 8.4678 111.3449 62.7529 70.4670 175.0988 13 A 4.5245 7.8116 123.4724 52.0614 19.3565 175.8715 14 F 5.4038 8.4866 114.4424 56.2873 41.5612 172.4583 15 Y 5.3786 8.3864 117.2192 55.3123 41.5375 174.7962 16 I 4.5767 9.1373 121.0119 59.6367 40.3428 174.9385 17 K 4.2483 8.9359 129.8855 55.1629 31.7657 176.6087 18 V 3.7571 8.8080 127.4961 65.6580 32.1398 175.4278 19 H 4.9403 8.3990 119.4259 53.8484 31.7448 174.6465 20 D 4.4196 8.5053 125.0603 57.2633 41.2920 177.0964 21 T 4.2799 8.1536 107.3915 62.2561 69.5546 174.2461 22 D 4.8593 8.1526 122.8526 54.2524 41.5154 175.5487 23 N 4.9805 8.6362 118.8573 52.6299 38.6600 173.9938 24 V 4.9522 7.5887 110.5535 60.1838 35.8354 174.5162 25 A 4.8400 8.3331 122.5408 50.4089 23.2550 175.5444 26 I 4.3666 8.5048 121.1634 61.1988 38.5396 175.0221 27 I 4.8845 8.6061 127.0301 59.2413 40.8061 174.3522 28 V 4.7157 8.4333 127.6551 61.5025 35.1624 173.5067 29 N 5.2435 9.2180 124.6010 52.2489 42.3783 174.0417 30 D 4.5637 8.6585 119.7363 55.7197 40.0535 176.5784 31 N 4.9271 7.4448 115.4802 52.0959 39.4727 173.2588 32 G 3.9530 8.0080 107.6655 45.0299 0.0000 173.0259 33 L 4.5056 7.8094 120.1080 52.9075 42.7500 176.3288 34 K 4.6549 8.3907 123.2744 54.4470 33.5643 176.0518 35 A 4.1909 8.7360 124.9310 54.3862 18.5294 178.1213 36 G 4.0274 8.9327 110.8732 45.2471 0.0000 174.2275 37 T 3.9939 7.8028 117.4921 63.8401 69.4102 173.5435 38 R 5.1648 8.3258 124.2543 54.5945 32.7772 174.9595 39 F 4.9898 9.0294 120.5182 54.7453 43.4358 172.8388 40 P 4.4336 0.0000 0.0000 63.8236 31.5759 176.0491 41 D 4.4878 9.4456 116.4703 55.7544 37.9769 175.4820 42 G 3.9593 8.5739 105.4079 45.3537 0.0000 174.4178 43 L 4.1373 7.6580 123.1171 54.9093 42.8702 175.5004 44 E 5.1130 8.5805 125.3924 54.1646 32.7715 174.2425 45 L 4.3108 9.2561 127.3480 55.5050 42.0991 177.3733 46 I 4.5513 8.2278 116.0089 60.6414 38.3205 174.5971 47 E 4.7025 7.6944 118.9858 55.7318 32.0131 174.7080 48 H 4.6955 8.5848 117.3992 56.3073 29.3725 175.2159 49 I 4.3908 8.6208 121.5805 58.6794 41.0495 173.4022 50 P 4.0777 0.0000 0.0000 61.8558 32.5268 175.6074 51 Q 3.8488 8.5542 123.1736 58.0625 29.0769 177.6131 52 G 3.8859 8.8159 112.6239 46.1669 0.0000 172.9868 53 H 4.7932 7.9356 117.7963 54.7588 31.7284 173.6648 54 K 5.2179 8.8617 117.9378 55.4615 34.1381 176.3563 55 V 4.9517 8.4707 123.8346 59.7149 34.4961 174.7104 56 A 4.5057 8.6828 125.5814 51.9028 18.7241 178.4393 57 L 3.9434 8.8610 123.8050 56.6904 42.3336 176.9845 58 L 4.8880 7.4955 116.4263 52.4723 46.2916 175.8565 59 D 4.6774 8.7047 120.5409 54.7221 41.4276 175.9767 60 I 4.5070 8.9992 125.7809 58.7779 39.2599 174.0463 61 P 4.8252 0.0000 0.0000 61.7384 33.0752 175.6543 62 A 4.0868 8.4806 123.1936 54.1256 18.5418 177.7074 63 N 4.3610 9.3216 118.3399 53.5706 37.2296 174.9809 64 G 4.1057 8.1581 107.0586 45.5446 0.0000 173.4532 65 E 4.3186 8.7949 120.2502 56.0711 30.9803 176.1291 66 I 4.2278 8.4010 124.0471 59.9055 39.2633 174.6110 67 I 4.7409 8.7732 129.2518 59.4524 39.3045 175.1552 68 R 4.3946 8.5376 127.5018 55.7689 32.5169 174.6231 69 Y 4.0280 9.8224 121.1506 59.1527 35.6252 171.9793 70 G 3.6576 9.3169 106.2968 44.6527 0.0000 173.5944 71 E 4.3706 8.2471 122.1557 53.5533 30.7873 175.1980 72 V 3.9128 8.2641 126.5686 62.0154 30.9816 175.8994 73 I 3.9889 8.3490 118.8370 60.2869 38.5424 176.6938 74 G 3.7357 6.2067 107.3685 46.2720 0.0000 170.4115 75 Y 4.9842 8.0489 116.4313 55.5524 41.8694 174.8078 76 A 4.2457 8.8045 127.0312 52.2783 18.8758 178.7085 77 V 3.5933 8.6345 123.6480 65.5794 31.7521 175.6565 78 R 4.8548 7.4607 114.7537 53.4411 34.1889 175.0734 79 A 4.1735 8.6554 121.6096 52.9314 19.2417 177.1972 80 I 4.3639 8.9603 122.5049 58.8532 39.5559 173.7404 81 P 4.8102 0.0000 0.0000 61.6539 32.7686 176.2114 82 R 3.7919 8.9149 123.4571 58.5627 30.4780 176.7225 83 G 3.9695 9.2173 112.0887 46.9263 0.0000 172.8607 84 S 5.0774 7.4941 115.5034 56.6401 65.0832 173.3425 85 W 4.7773 9.7858 133.7366 57.6200 31.2233 176.1468 86 I 3.9132 8.6160 129.3551 59.6455 36.7584 174.6022 87 D 3.6307 7.3125 127.3920 53.2275 41.4536 178.2410 88 E 4.3038 8.5675 127.7743 56.5608 29.1611 177.3384 89 S 4.5085 8.3968 110.2321 57.0436 62.7804 174.7234 *91 V 3.9546 7.4134 118.0989 63.7690 32.5781 175.6431 92 V 4.5215 8.2847 120.4714 59.4729 35.0343 175.9249 93 L 4.5668 8.2711 123.1292 55.3938 41.9479 176.0860 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 S 8.32 4.37 0.00 3.84 3.93 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 -1 N 7.93 4.40 0.00 2.95 2.82 0.00 0.00 6.08 6.38 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 A 9.00 3.73 1.32 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 0.00 0.00 0 A 9.00 3.73 1.32 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 0.00 0.00 3 N 7.52 4.75 0.00 2.70 2.85 0.00 0.00 6.94 7.45 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 4 I 7.48 4.00 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 1.47 0.46 0.91 0.00 0.00 5 K 8.36 4.59 0.00 1.80 1.73 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.41 7.81 6 I 8.35 4.36 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 1.41 0.63 0.91 0.00 0.00 7 R 8.48 4.59 0.00 1.75 1.82 0.00 3.35 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 8 Q 8.42 4.46 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 9 E 8.49 4.03 0.00 2.06 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 2.26 2.32 0.00 10 T 8.17 4.30 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 11 P 0.00 4.38 0.00 2.20 2.05 0.00 3.73 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 1.99 1.95 0.00 12 T 8.47 4.38 4.33 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 1.24 0.00 0.00 13 A 7.81 4.52 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 14 F 8.49 5.40 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 15 Y 8.39 5.38 0.00 2.85 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 16 I 9.14 4.58 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 1.01 0.00 0.00 17 K 8.94 4.25 0.00 2.01 1.89 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.46 7.81 18 V 8.81 3.76 2.41 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 0.80 0.00 0.00 1.05 0.00 0.00 19 H 8.40 4.94 0.00 3.35 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.51 4.42 0.00 2.62 2.68 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 21 T 8.15 4.28 4.25 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 0.00 0.00 1.28 0.00 0.00 22 D 8.15 4.86 0.00 2.86 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 23 N 8.64 4.98 0.00 2.75 2.95 0.00 0.00 5.96 7.68 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 24 V 7.59 4.95 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 0.61 0.00 0.00 0.85 0.00 0.00 25 A 8.33 4.84 1.03 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 26 I 8.50 4.37 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.97 0.00 0.00 27 I 8.61 4.88 1.81 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 1.11 1.51 0.96 0.00 0.00 28 V 8.43 4.72 0.67 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 0.83 0.00 0.00 0.77 0.00 0.00 29 N 9.22 5.24 0.00 2.59 2.60 0.00 0.00 7.20 8.01 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 30 D 8.66 4.56 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 31 N 7.44 4.93 0.00 2.65 2.75 0.00 0.00 6.90 7.65 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 32 G 8.01 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 33 L 7.81 4.51 0.00 1.92 1.67 0.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.39 4.65 0.00 1.84 1.73 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.42 7.81 35 A 8.74 4.19 1.20 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 0.00 0.00 0.00 36 G 8.93 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 37 T 7.80 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 0.98 0.00 0.00 38 R 8.33 5.16 0.00 1.59 1.81 0.00 3.14 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 39 F 9.03 4.99 0.00 3.03 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 40 P 0.00 4.43 0.00 2.29 2.04 0.00 4.03 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 41 D 9.45 4.49 0.00 2.91 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 42 G 8.57 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 0.00 0.00 0.00 43 L 7.66 4.14 0.00 1.78 1.88 0.97 0.82 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 44 E 8.58 5.11 0.00 2.03 1.76 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 2.31 2.59 0.00 45 L 9.26 4.31 0.00 2.01 1.67 1.09 0.63 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 46 I 8.23 4.55 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.98 0.00 0.00 47 E 7.69 4.70 0.00 1.96 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 2.22 2.39 0.00 48 H 8.58 4.70 0.00 3.02 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.62 4.39 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.28 0.86 0.00 0.00 50 P 0.00 4.08 0.00 1.16 1.46 0.00 2.32 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 51 Q 8.55 3.85 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 52 G 8.82 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 0.00 0.00 0.00 53 H 7.94 4.79 0.00 3.27 3.62 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.86 5.22 0.00 1.69 1.68 0.00 1.52 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.32 7.81 55 V 8.47 4.95 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 0.49 0.00 0.00 0.87 0.00 0.00 56 A 8.68 4.51 1.28 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 57 L 8.86 3.94 0.00 1.47 1.60 0.83 0.02 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 58 L 7.50 4.89 0.00 1.43 1.49 0.91 1.04 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 59 D 8.70 4.68 0.00 2.56 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 60 I 9.00 4.51 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.89 0.00 0.00 61 P 0.00 4.83 0.00 2.11 2.17 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 62 A 8.48 4.09 1.28 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 63 N 9.32 4.36 0.00 2.83 2.91 0.00 0.00 6.98 7.69 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 64 G 8.16 4.11 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 0.00 65 E 8.79 4.32 0.00 1.78 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 2.31 2.31 0.00 66 I 8.40 4.23 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.77 0.00 0.00 67 I 8.77 4.74 1.88 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 1.01 1.43 0.91 0.00 0.00 68 R 8.54 4.39 0.00 1.46 1.35 0.00 2.41 0.00 0.00 2.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 69 Y 9.82 4.03 0.00 3.11 2.89 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 70 G 9.32 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 71 E 8.25 4.37 0.00 1.92 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 2.13 2.16 0.00 72 V 8.26 3.91 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 0.72 0.00 0.00 0.55 0.00 0.00 73 I 8.35 3.99 1.76 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 1.23 0.47 0.86 0.00 0.00 74 G 6.21 3.74 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 0.00 0.00 0.00 75 Y 8.05 4.98 0.00 2.90 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 76 A 8.80 4.25 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 77 V 8.63 3.59 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 0.81 0.00 0.00 0.91 0.00 0.00 78 R 7.46 4.85 0.00 1.65 1.76 0.00 3.25 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 1.50 1.57 0.00 79 A 8.66 4.17 1.22 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 0.00 0.00 0.00 80 I 8.96 4.36 1.83 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 1.17 0.95 0.86 0.00 0.00 81 P 0.00 4.81 0.00 2.07 1.96 0.00 3.61 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 2.11 2.07 0.00 82 R 8.91 3.79 0.00 1.89 1.88 0.00 3.30 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 83 G 9.22 3.97 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 0.00 0.00 0.00 84 S 7.49 5.08 0.00 3.78 3.79 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 85 W 9.79 4.78 0.00 3.18 3.27 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 86 I 8.62 3.91 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.89 0.74 0.00 0.00 87 D 7.31 3.63 0.00 1.58 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 0.00 0.00 0.00 88 E 8.57 4.30 0.00 1.93 1.91 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 2.26 2.28 0.00 89 S 8.40 4.51 0.00 3.78 3.79 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 *91 V 7.41 3.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.81 0.00 0.00 92 V 8.28 4.52 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 0.63 0.00 0.00 1.02 0.00 0.00 93 L 8.27 4.57 0.00 1.62 1.51 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.