NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4202 8.3344 115.2861 58.1472 62.8736 171.5616 3 N 5.0296 8.3040 115.4323 51.1136 41.8309 172.7425 4 Q 4.0831 9.5545 116.7367 57.9589 29.0828 177.8041 5 E 3.9428 8.0529 120.4500 59.2474 29.5916 178.6634 6 L 4.0076 7.8328 119.8543 57.7840 42.3639 178.2685 7 L 3.8899 7.5828 119.9000 58.5135 42.0072 179.1635 8 Q 4.1575 8.5395 118.0069 58.5550 28.5653 178.5075 9 L 3.9374 7.5669 121.0365 58.0227 42.1103 178.8848 10 A 4.0269 8.3462 121.2578 54.9518 18.3664 179.7301 11 V 3.5233 8.2462 117.2404 66.1195 31.5170 178.0686 12 N 4.2420 8.2225 115.8944 56.2508 38.2188 176.8283 13 A 3.9710 7.7018 121.6405 55.6904 18.5630 179.9572 14 V 3.4245 7.9807 116.1002 66.1461 31.5071 177.8913 15 D 4.4337 8.0862 118.7602 57.0671 40.4885 178.3520 16 D 4.4511 8.4249 119.2275 56.5753 40.8261 177.8248 17 K 4.3569 7.3389 116.1759 55.4417 32.3278 176.7103 18 K 3.8680 7.8634 117.3194 57.0517 29.7326 176.1239 19 A 4.0278 7.7699 121.6395 52.4942 19.0668 178.1629 20 E 4.4418 8.4819 121.8921 55.7094 31.6239 175.8011 21 Q 3.7913 8.5215 116.9679 57.0400 26.2505 174.9810 22 V 4.0563 7.6610 116.6019 63.1848 32.5170 175.8523 23 V 4.5689 9.5701 127.9566 61.1820 35.1590 173.6906 24 A 5.0561 8.6713 128.6276 50.3378 22.0020 175.2607 25 L 5.1362 8.9075 120.8173 52.9249 45.0319 176.5786 26 N 5.2973 8.7012 123.2432 52.2760 40.6735 174.0555 *28 K 3.7316 8.4621 120.7212 60.0076 32.2256 175.4901 29 G 4.0714 9.1336 115.6527 45.2978 0.0000 172.4407 30 I 4.1940 7.5877 117.6164 62.2885 39.1265 175.2094 31 S 4.7584 7.5915 110.7611 56.3795 65.5628 173.4537 32 L 4.6742 7.8677 119.9246 53.1698 41.9874 175.8539 *35 D 4.4651 7.8862 121.7665 53.5472 44.0731 176.8876 36 F 5.5144 8.1316 115.3309 55.6968 43.7398 174.0649 37 F 5.5228 9.3383 120.6501 55.8547 42.0843 173.6828 38 L 5.0703 9.0530 127.2281 53.6451 43.6488 175.1409 39 I 5.3402 9.1475 128.3167 60.0840 40.6241 174.4775 40 C 5.2728 8.6863 118.6728 58.6791 33.6179 171.7155 41 H 5.2365 8.5116 112.9842 54.6460 31.8898 172.6465 42 G 4.4704 9.2714 106.3743 44.7273 0.0000 173.7601 43 N 4.8292 10.6315 117.3279 53.4612 39.3029 175.8646 44 S 4.6292 7.1846 112.5477 56.1479 67.1742 174.9070 45 E 4.0071 8.7672 121.8335 59.1490 29.2288 179.5200 46 K 3.9560 7.9323 119.7144 59.2949 32.3545 178.5044 47 Q 3.9758 8.0082 120.0502 58.8901 28.9723 178.1763 48 V 3.5592 7.9373 119.5548 66.1202 31.5236 178.1220 49 Q 3.7353 7.9213 117.0557 58.4248 28.4497 178.4290 50 A 4.0305 7.8238 121.9742 55.1047 18.4046 179.7222 51 I 3.6352 7.7915 118.0327 64.6529 37.4084 178.4747 52 A 4.0871 8.0840 121.5071 55.5830 18.0519 179.1975 53 H 4.1870 8.7144 116.8947 59.3084 29.9221 177.1384 54 E 3.6593 8.4453 121.2348 59.0360 29.3852 178.6155 55 L 3.9502 7.9915 120.7238 57.7544 42.1753 178.8906 56 K 3.8539 7.8359 119.3200 59.2376 31.6760 178.5934 57 K 3.7744 8.5643 120.7997 59.7351 32.1320 178.9230 58 V 3.8084 8.1600 118.4942 65.8866 31.3159 177.8375 59 A 4.0250 8.1427 120.7239 54.9565 17.9902 179.1588 60 Q 3.8622 7.8325 114.8436 57.6778 28.8900 178.0868 61 E 4.1333 7.6156 119.3431 59.2795 29.6083 178.3025 62 Q 3.9929 7.8950 116.4857 56.0707 29.6156 175.2956 63 G 3.7625 7.4256 106.3880 47.4904 0.0000 173.7648 64 I 4.3566 8.2852 120.1216 59.0160 38.9449 176.0113 65 E 4.0585 8.6388 125.2634 56.0007 29.8257 176.4418 66 I 4.2222 8.1721 125.4701 60.4105 37.2680 175.8218 67 K 4.2528 8.9523 127.0876 59.0534 32.5885 178.0137 68 R 4.6832 7.6516 116.3893 54.8448 35.1356 174.8595 69 L 5.3022 7.9829 122.3204 55.6619 43.9038 173.8800 70 E 4.5192 8.3657 125.6652 55.2509 34.1344 176.7860 71 G 4.0071 8.8385 110.0224 46.2924 0.0000 174.9391 72 Y 3.8718 8.1254 121.1400 60.5924 39.0945 176.9990 73 E 4.1862 8.5655 117.3866 59.7502 29.6463 178.7191 74 Q 3.9564 8.1603 115.3014 56.9980 28.9906 176.3066 75 A 3.7034 7.5312 119.0386 53.5530 16.9280 177.8123 76 R 4.4955 7.9382 119.3442 58.5305 33.3209 176.3178 77 W 4.9594 7.9528 128.7504 56.5219 32.1175 172.9846 78 V 4.3971 8.8353 127.0818 61.1792 32.9398 173.8828 79 L 4.8717 8.6967 130.3301 53.3359 44.4337 174.8827 80 I 4.6628 8.5243 127.8285 59.5692 39.5613 174.5462 81 D 4.7335 9.2047 129.3923 53.2747 41.6795 176.3616 82 L 4.5819 8.7440 125.6630 54.3566 43.5229 176.5060 83 G 4.0828 8.9484 111.3043 44.1631 0.0000 176.4848 84 D 4.2215 9.5256 128.5574 56.2590 42.5780 176.3387 85 V 5.0772 7.6682 118.2162 60.8963 35.0469 174.5079 86 V 4.7291 8.8301 126.6943 61.1517 34.2321 174.1292 87 V 4.6922 8.5598 128.2995 61.8630 33.8577 174.2465 88 H 5.1344 9.8834 125.2355 54.2791 31.6432 173.2289 89 V 4.4294 8.7936 125.7254 61.4777 32.6826 175.0090 90 F 4.9852 9.0303 127.5389 56.4550 41.4837 174.4086 91 H 5.0565 8.6843 120.9426 54.5789 30.5920 176.2115 92 K 3.0868 8.9367 125.8123 59.8602 32.2028 177.0376 93 D 4.8449 8.3336 116.3986 53.9479 41.3422 175.8503 94 E 4.2743 9.2198 123.9784 55.9831 30.4363 177.7840 95 R 4.1082 8.9664 125.3287 59.3764 30.4341 178.5899 96 A 4.1276 8.0892 118.7328 54.4969 18.0275 178.3487 97 Y 3.0335 7.3908 117.0099 59.0049 38.8659 175.8752 98 Y 4.1535 7.7940 115.4807 57.6195 39.0030 175.5609 99 N 4.7858 7.0708 115.6034 52.7754 39.3644 175.6550 100 L 3.6807 7.3032 118.9930 56.1268 42.2870 177.5130 101 E 3.9720 7.7066 118.5029 60.0699 29.8348 177.6214 102 K 3.9174 8.0963 116.3580 59.5439 32.1531 177.5130 103 L 3.7797 7.3247 116.5521 54.9283 42.0163 177.8734 104 W 3.2520 8.2729 119.1070 57.3242 28.7671 172.4030 *108 P 4.3123 0.0000 0.0000 63.5438 31.6076 176.4686 109 T 4.7065 8.2933 116.9408 61.3928 70.8354 173.8153 110 V 4.2831 7.9536 120.6929 60.9377 33.6447 176.2048 111 E 4.2507 9.0023 129.4719 55.3616 27.4135 175.6964 112 L 3.9669 8.3218 123.3050 57.6282 42.4384 178.8665 113 E 4.2910 8.0154 117.9644 53.6728 27.3428 176.6576 114 G 3.6498 7.7628 111.6828 46.0580 0.0000 170.3644 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 8.33 4.42 0.00 4.25 3.71 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 3 N 8.30 5.03 0.00 2.89 2.94 0.00 0.00 6.94 6.01 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 4 Q 9.55 4.08 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 5 E 8.05 3.94 0.00 2.08 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 2.43 0.00 6 L 7.83 4.01 0.00 1.77 1.71 1.00 0.54 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 7 L 7.58 3.89 0.00 1.61 1.44 0.77 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.54 4.16 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 9 L 7.57 3.94 0.00 2.02 1.84 0.92 1.10 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 10 A 8.35 4.03 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 11 V 8.25 3.52 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 1.00 0.00 0.00 0.98 0.00 0.00 12 N 8.22 4.24 0.00 2.82 2.84 0.00 0.00 6.89 7.99 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 13 A 7.70 3.97 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 14 V 7.98 3.42 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 1.03 0.00 0.00 0.94 0.00 0.00 15 D 8.09 4.43 0.00 3.13 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 16 D 8.42 4.45 0.00 2.78 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 17 K 7.34 4.36 0.00 1.80 1.84 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.75 7.81 18 K 7.86 3.87 0.00 1.95 1.96 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.52 7.81 19 A 7.77 4.03 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 20 E 8.48 4.44 0.00 1.82 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 2.25 2.41 0.00 21 Q 8.52 3.79 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 22 V 7.66 4.06 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 0.74 0.00 0.00 0.97 0.00 0.00 23 V 9.57 4.57 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 0.96 0.00 0.00 1.02 0.00 0.00 24 A 8.67 5.06 1.17 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 0.00 0.00 25 L 8.91 5.14 0.00 1.56 1.57 1.19 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.70 5.30 0.00 2.89 2.77 0.00 0.00 7.05 6.61 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 *28 K 8.46 3.73 0.00 1.63 1.74 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.30 7.81 29 G 9.13 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 0.00 0.00 0.00 30 I 7.59 4.19 1.73 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 1.12 0.91 0.92 0.00 0.00 31 S 7.59 4.76 0.00 3.54 3.42 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 32 L 7.87 4.67 0.00 1.62 1.54 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *35 D 7.89 4.47 0.00 2.62 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 0.00 0.00 0.00 36 F 8.13 5.51 0.00 3.03 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 37 F 9.34 5.52 0.00 2.64 2.55 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 38 L 9.05 5.07 0.00 1.80 1.58 0.98 1.02 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 39 I 9.15 5.34 2.04 0.00 0.00 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 1.51 1.15 1.23 0.00 0.00 40 C 8.69 5.27 0.00 3.06 3.03 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 41 H 8.51 5.24 0.00 2.89 2.58 0.00 5.41 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 42 G 9.27 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 0.00 0.00 0.00 0.00 43 N 10.63 4.83 0.00 2.78 2.86 0.00 0.00 6.76 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 44 S 7.18 4.63 0.00 4.00 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 45 E 8.77 4.01 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 2.65 2.43 0.00 46 K 7.93 3.96 0.00 1.80 1.78 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 Q 8.01 3.98 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 48 V 7.94 3.56 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 0.92 0.00 0.00 1.04 0.00 0.00 49 Q 7.92 3.74 0.00 1.97 1.84 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 1.16 2.03 0.00 50 A 7.82 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 51 I 7.79 3.64 2.04 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 1.46 0.79 0.92 0.00 0.00 52 A 8.08 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.19 0.00 3.58 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.45 3.66 0.00 2.25 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 0.00 2.45 2.37 0.00 55 L 7.99 3.95 0.00 1.96 1.64 0.93 0.60 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 56 K 7.84 3.85 0.00 1.81 1.81 0.00 1.50 0.00 0.00 1.35 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.34 7.81 57 K 8.56 3.77 0.00 1.84 1.93 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 58 V 8.16 3.81 2.17 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 0.95 0.00 0.00 0.97 0.00 0.00 59 A 8.14 4.02 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 60 Q 7.83 3.86 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 61 E 7.62 4.13 0.00 2.17 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 2.31 2.55 0.00 62 Q 7.90 3.99 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 63 G 7.43 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 0.00 0.00 0.00 64 I 8.29 4.36 1.95 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 1.30 0.66 0.91 0.00 0.00 65 E 8.64 4.06 0.00 1.95 1.88 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 2.30 2.26 0.00 66 I 8.17 4.22 1.83 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 1.38 0.45 0.92 0.00 0.00 67 K 8.95 4.25 0.00 1.60 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 68 R 7.65 4.68 0.00 1.64 1.68 0.00 3.27 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 69 L 7.98 5.30 0.00 1.55 1.47 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.37 4.52 0.00 1.72 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 71 G 8.84 4.01 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 0.00 0.00 0.00 72 Y 8.13 3.87 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.19 0.00 2.05 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 2.46 0.00 74 Q 8.16 3.96 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 75 A 7.53 3.70 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 76 R 7.94 4.50 0.00 1.82 2.24 0.00 3.27 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 77 W 7.95 4.96 0.00 3.19 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 78 V 8.84 4.40 2.09 0.00 0.00 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 0.93 0.00 0.00 79 L 8.70 4.87 0.00 1.39 1.25 0.76 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.52 4.66 1.84 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 1.12 0.42 0.88 0.00 0.00 81 D 9.20 4.73 0.00 2.61 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 82 L 8.74 4.58 0.00 1.86 1.66 0.93 0.89 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 83 G 8.95 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 9.53 4.22 0.00 2.67 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 85 V 7.67 5.08 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 1.02 0.00 0.00 1.14 0.00 0.00 86 V 8.83 4.73 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.02 0.00 0.00 87 V 8.56 4.69 2.06 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 1.04 0.00 0.00 0.94 0.00 0.00 88 H 9.88 5.13 0.00 3.38 3.43 0.00 5.83 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.79 4.43 2.07 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 1.02 0.00 0.00 0.95 0.00 0.00 90 F 9.03 4.99 0.00 2.08 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 91 H 8.68 5.06 0.00 3.42 3.18 0.00 5.62 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 92 K 8.94 3.09 0.00 1.72 2.06 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.53 7.81 93 D 8.33 4.84 0.00 2.77 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 94 E 9.22 4.27 0.00 2.29 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 0.00 2.71 2.55 0.00 95 R 8.97 4.11 0.00 2.00 2.02 0.00 3.20 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 96 A 8.09 4.13 1.24 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 0.00 0.00 0.00 97 Y 7.39 3.03 0.00 2.06 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 98 Y 7.79 4.15 0.00 2.80 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 99 N 7.07 4.79 0.00 2.69 2.68 0.00 0.00 6.57 6.62 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 0.00 100 L 7.30 3.68 0.00 1.25 1.40 0.46 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.71 3.97 0.00 1.85 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 2.27 2.37 0.00 102 K 8.10 3.92 0.00 1.65 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.51 7.81 103 L 7.32 3.78 0.00 0.33 0.13 0.47 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.27 3.25 0.00 3.59 3.03 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 *108 P 0.00 4.31 0.00 2.16 2.30 0.00 3.77 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 2.06 1.99 0.00 109 T 8.29 4.71 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 1.25 0.00 0.00 110 V 7.95 4.28 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 0.66 0.00 0.00 1.17 0.00 0.00 111 E 9.00 4.25 0.00 1.95 1.88 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 2.29 2.39 0.00 112 L 8.32 3.97 0.00 1.64 1.71 0.89 0.86 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 0.00 113 E 8.02 4.29 0.00 1.91 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 2.28 2.24 0.00 114 G 7.76 3.65 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.