NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.4988 8.1749 117.3936 63.3255 69.9421 173.1342 4 T 3.8801 8.4006 120.0352 62.7392 68.8600 173.2829 5 N 4.6421 10.2096 126.8688 51.7247 39.1909 174.5061 6 H 4.0446 8.5178 121.6915 57.6082 29.0711 176.5510 7 D 4.5070 8.5460 119.3519 56.3591 41.0231 176.1187 8 H 5.2004 8.7305 116.5180 54.7946 30.9120 174.1213 9 H 4.9130 9.1573 119.1576 54.6906 33.9212 171.8979 10 I 4.8452 8.1479 124.6431 59.6321 40.1708 173.9437 11 Y 4.8090 9.2741 125.0337 56.1903 40.5195 175.0278 12 V 4.3965 8.3774 125.9701 61.4534 32.9448 175.0560 13 L 4.9772 9.0464 130.6103 54.8402 42.5954 176.3791 14 M 5.8648 9.5155 121.6865 52.4113 34.6492 174.1031 15 G 4.6575 8.2230 103.8468 42.8740 0.0000 173.9388 16 V 3.7960 7.9498 113.9299 60.4717 32.2251 176.0179 17 S 4.2802 9.0886 117.3282 60.1236 62.3921 174.6581 18 G 4.0266 9.1007 115.6345 45.3816 0.0000 173.7180 19 S 4.4143 7.8188 113.0577 57.9224 63.5549 174.3868 20 G 3.8484 8.0705 108.9844 47.2301 0.0000 176.4544 21 K 3.9317 8.3521 120.2918 59.4918 32.0741 178.9162 22 S 4.2078 8.0612 114.5097 61.5528 62.7270 176.4947 23 A 3.9536 7.9051 123.0872 54.9217 18.1447 179.7987 24 V 3.3981 7.8653 116.5582 65.9723 31.6254 177.9390 25 A 3.7018 7.8759 120.5728 55.2273 18.2479 179.5252 26 S 3.4692 7.4622 113.4419 61.6558 62.9519 176.7714 27 E 3.8445 7.7060 121.4736 59.1355 29.3303 178.8062 28 V 3.4387 7.9848 118.4382 66.0849 31.6081 177.6289 29 A 3.9237 8.0715 120.7520 55.5668 17.9987 179.1537 30 H 4.0673 8.0706 116.1981 59.5705 29.7640 177.6328 31 Q 3.8973 7.9008 118.7033 58.2766 28.6279 177.7429 32 L 4.3037 7.8985 117.3798 53.8740 42.3306 176.0855 33 H 3.9427 7.3132 114.9677 56.7388 26.7185 174.5771 34 A 4.7635 8.0768 119.6620 50.6117 20.6823 178.1546 35 A 4.3415 8.6164 121.2704 52.0227 19.9382 176.7621 36 F 5.5512 8.5851 121.8400 56.6265 42.7721 173.4868 37 L 4.2394 8.9619 127.5196 53.0732 45.4710 174.8128 38 D 4.6053 8.0726 126.2438 52.9062 40.8711 176.8640 39 G 3.7961 8.6090 115.2981 47.5106 0.0000 173.8268 40 D 4.4891 8.2630 121.0639 56.9695 40.5382 177.8456 41 F 5.0314 7.9059 116.2377 58.2138 39.2995 175.9721 42 L 4.7055 7.8849 117.9794 54.5799 42.0291 176.4582 43 H 4.3512 7.7341 116.2809 54.9912 29.2797 173.6064 44 P 4.4803 0.0000 0.0000 62.4237 32.2952 177.4868 45 R 4.0098 8.7369 122.9115 59.7580 29.9470 178.8421 46 R 3.9670 8.2049 117.0502 59.8173 29.7566 178.6438 47 N 4.2392 8.7082 116.0952 56.1012 38.7045 177.1212 48 I 3.6801 7.5338 120.6976 64.6734 37.4045 177.7957 49 E 3.8707 8.5884 119.4582 59.7537 29.2514 179.6661 50 K 4.0189 7.8430 119.1602 59.3247 32.2942 178.6827 51 M 4.0142 8.2453 119.1586 57.5019 31.6446 178.1908 52 A 3.9897 7.4410 120.5528 55.1864 18.7044 179.2160 53 S 4.4065 7.9704 108.5909 58.1200 64.1713 173.6595 54 G 3.6970 7.8880 109.9132 47.0053 0.0000 173.4539 55 E 4.6543 8.0694 118.0596 53.3000 31.6763 175.0709 56 P 4.3929 0.0000 0.0000 62.2774 32.0750 176.5223 57 L 4.3360 8.3278 122.4922 54.5954 42.4886 176.4117 58 N 5.1067 10.5408 118.3016 50.9229 40.9931 175.8099 59 D 4.5419 8.5257 120.6984 57.8389 40.8266 178.6749 60 D 4.4741 8.1363 116.2994 57.0131 41.2895 177.4244 61 D 4.4818 12.0000 119.0023 57.6395 41.1753 178.7219 62 R 4.2722 8.5828 118.5087 58.3725 30.0317 178.7601 63 K 3.8616 7.8727 120.0234 59.5602 32.1481 176.9339 64 P 4.3480 0.0000 0.0000 64.8084 31.2504 178.4419 65 W 4.2926 8.2536 127.1040 60.6470 30.7182 177.7763 66 L 3.4754 8.0477 118.8669 57.6547 40.9306 179.3172 67 Q 3.9202 8.1506 119.2158 59.2194 28.9201 178.3271 68 A 3.9910 8.1878 121.7663 54.9300 18.2957 179.6685 69 L 3.7977 7.8487 117.8643 57.6717 41.6918 178.9880 70 N 4.1942 8.4851 117.3988 56.9364 38.8127 176.5802 71 D 4.3768 8.3745 120.1905 57.4376 40.9335 178.7575 72 A 3.9799 8.2377 121.1734 54.8744 18.3201 179.5697 73 A 3.8789 8.2442 119.6581 55.2636 18.2511 179.6322 74 F 3.9649 7.9567 117.5678 61.2706 39.5615 176.8478 75 A 4.0545 8.3614 120.5679 55.4439 17.9301 179.4725 76 M 3.9926 8.4882 117.7872 58.5492 31.8687 178.9886 77 Q 4.0038 7.8710 116.0283 58.7051 28.7073 178.3985 78 R 4.0251 7.3087 120.2765 58.5038 30.0599 177.4006 79 T 4.6431 7.4824 104.8282 60.8370 69.5612 172.8136 80 N 4.9816 7.6289 118.1154 51.6826 41.9021 174.8967 81 K 4.0804 8.5390 121.5816 58.6251 33.7930 177.1206 82 V 4.9312 7.7423 119.3552 61.1474 34.9002 174.5926 83 S 5.3345 9.2500 123.1896 56.7239 66.7809 172.8221 84 L 5.3516 9.4285 123.9183 53.0677 44.5428 175.4770 85 I 5.0341 8.8064 123.9800 59.4745 40.9514 174.6405 86 V 4.4920 8.7840 127.3186 62.3676 33.0432 174.5599 87 C 4.9989 8.9367 127.8526 58.3439 34.8315 174.4983 88 S 4.4035 9.7868 121.3932 58.5398 63.6995 174.4223 89 A 3.8796 8.0798 121.5533 52.9821 16.1057 177.2644 90 L 4.0607 8.1189 122.4944 57.3441 42.7597 178.2481 91 K 4.5990 7.4842 116.9414 54.2432 33.9536 177.1698 92 K 3.7031 8.8341 123.3277 60.0309 31.9762 178.9182 93 H 4.1617 7.9058 117.8954 59.1932 29.8965 176.7808 94 Y 4.3025 7.4705 118.8623 61.0815 37.6868 178.4691 95 R 4.0278 7.8322 118.5668 59.3442 29.9761 178.6470 96 D 4.4024 8.2789 118.8248 57.3012 40.5500 178.7834 97 L 3.9815 7.6569 118.6672 57.8823 41.6891 179.3225 98 L 4.1097 7.6665 117.4046 57.7825 41.8432 179.5107 99 R 4.2683 8.2465 118.0337 57.7429 29.7128 175.8526 100 E 4.1042 7.3437 118.2013 58.4744 29.3080 177.4855 101 G 3.9762 9.0779 112.5516 45.4585 0.0000 172.6950 102 N 5.0171 8.0928 117.4676 50.7789 38.4479 173.3441 103 P 4.3421 0.0000 0.0000 64.9033 32.3455 176.9293 104 N 4.7738 8.0281 115.2521 52.6849 38.5197 173.8437 105 L 4.8539 7.5833 121.5430 53.8995 44.0614 175.4730 106 S 4.7976 8.5407 119.6411 56.9578 67.4508 172.1370 107 F 5.2554 9.5271 117.5529 55.8212 42.4061 175.1526 108 I 4.9432 9.0394 123.6138 59.8767 39.5135 174.5570 109 Y 5.0071 9.3908 131.0722 56.6648 39.3879 174.8296 110 L 4.6945 8.9263 128.7018 54.3120 41.4030 175.9425 111 K 3.9444 8.7834 126.4102 54.6422 33.8417 175.2966 112 G 4.5434 8.3919 112.1379 45.6223 0.0000 172.3854 113 D 5.1277 8.4899 121.5688 51.4524 41.9119 176.9044 114 F 3.6772 8.3669 119.7147 61.8893 38.9125 175.8364 115 D 4.3865 7.7072 115.8953 57.7825 40.4991 178.9286 116 V 3.6741 7.6008 118.6084 65.8197 31.7298 178.4939 117 I 3.2789 7.6878 118.8608 64.1037 36.6179 178.1449 118 E 3.7431 7.6778 120.0407 59.0099 29.5481 178.7713 119 S 4.2247 7.9318 114.3922 61.4685 63.0330 176.2062 120 R 3.8777 8.5928 122.6563 58.7346 30.2368 178.8890 121 L 4.5137 8.3197 120.4744 52.6471 42.3428 178.2866 *131 T 4.4847 8.9050 124.9013 64.5825 69.5490 174.9302 132 Q 4.1702 9.2221 132.5779 60.2032 29.1044 175.4180 133 M 4.0210 8.1736 118.8095 58.7579 32.1225 177.5066 134 L 4.0150 8.1240 119.7916 58.4968 42.2674 179.0755 135 V 3.9347 8.0900 117.7673 66.5189 31.4138 178.2005 136 T 4.0509 7.9400 115.0619 66.4058 68.3963 176.5593 137 Q 4.0398 8.9097 120.7125 59.2817 28.6030 179.1370 138 F 4.1525 8.2965 117.1025 60.4133 38.9883 177.0702 139 E 4.1648 8.0036 117.6914 59.7371 29.5683 178.7639 140 T 4.0904 7.9915 114.6542 65.2290 68.6662 174.8568 141 L 3.8945 7.7704 122.7193 56.1590 42.5654 177.0024 142 Q 4.4828 8.9028 126.3078 53.7832 29.6863 175.2263 143 E 3.8326 8.6825 123.8555 55.6484 30.1740 175.7378 144 P 4.3333 0.0000 0.0000 62.3885 32.4836 176.2362 145 G 4.1975 8.2365 113.4453 44.3362 0.0000 173.6052 146 A 4.0652 8.5568 121.5961 54.9394 18.5740 178.5833 147 D 4.5190 8.0632 112.7643 54.1631 39.3156 176.1475 148 E 4.5166 8.0883 120.7555 55.0571 30.2782 176.2808 149 T 4.2121 8.4148 114.6242 63.0338 69.9246 174.8397 150 D 4.9936 7.9634 122.2741 53.8585 40.5018 175.9932 151 V 5.0189 7.9856 118.8753 62.3597 33.9192 174.2486 152 L 4.9094 9.3591 128.1688 53.0150 44.4398 175.4527 153 V 4.8246 8.4247 122.3008 61.1286 33.9346 174.7494 154 V 4.3897 8.7917 127.2351 60.9462 34.4541 173.6878 155 D 4.9869 8.7477 128.2404 53.9197 41.4820 175.5675 156 I 4.1058 8.4114 119.2833 60.3929 38.2994 176.2655 157 D 4.6334 8.8917 125.8801 52.3595 39.9147 174.0913 158 Q 4.5364 7.0798 118.7438 53.4236 31.9270 172.5741 159 P 4.6965 0.0000 0.0000 61.8821 33.3153 177.2236 160 L 3.8943 8.4566 120.7093 58.5150 41.7293 178.5441 161 E 3.9513 8.3245 118.6397 59.4997 29.4617 178.9161 162 G 3.9267 7.9807 106.1878 47.1903 0.0000 175.4177 163 V 3.5281 7.8341 120.7917 65.6772 31.5248 178.0698 164 V 3.4940 8.2541 117.9494 66.0452 31.2402 177.8309 165 A 3.9362 8.2377 120.5617 55.4167 18.2830 179.7982 166 S 4.0331 8.6541 113.9356 61.8952 62.8115 177.2742 167 T 3.8070 8.0872 118.7957 66.6639 68.1931 176.7090 168 I 3.5789 8.0133 122.1604 64.5136 37.0416 178.0902 169 E 3.8731 8.3908 120.1977 59.1946 29.2137 179.0531 170 V 3.5824 7.5493 117.5502 66.0327 31.6496 177.8494 171 I 3.4713 7.3979 118.7281 63.8775 36.6966 178.1146 172 K 4.1694 8.1800 119.7233 58.6139 31.8092 179.1160 173 K 3.9863 8.2284 119.1855 58.0497 32.1549 176.9669 174 G 3.7257 7.3156 112.3496 46.3230 0.0000 171.9456 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 T 8.17 4.50 4.27 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 1.22 0.00 0.00 4 T 8.40 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 1.00 0.00 0.00 5 N 10.21 4.64 0.00 2.49 2.45 0.00 0.00 6.96 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.52 4.04 0.00 3.14 3.37 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.55 4.51 0.00 2.75 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 8 H 8.73 5.20 0.00 2.91 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 9.16 4.91 0.00 3.16 3.02 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.15 4.85 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 0.77 0.00 0.00 11 Y 9.27 4.81 0.00 2.90 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 12 V 8.38 4.40 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 0.87 0.00 0.00 0.50 0.00 0.00 13 L 9.05 4.98 0.00 1.67 1.67 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 M 9.52 5.86 0.00 2.30 2.43 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 15 G 8.22 4.66 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 16 V 7.95 3.80 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 0.42 0.00 0.00 0.68 0.00 0.00 17 S 9.09 4.28 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 18 G 9.10 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 19 S 7.82 4.41 0.00 4.14 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 0.00 20 G 8.07 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.35 3.93 0.00 1.86 1.94 0.00 1.96 0.00 0.00 2.00 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.60 1.59 7.81 22 S 8.06 4.21 0.00 3.91 4.02 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 23 A 7.91 3.95 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 24 V 7.87 3.40 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 0.98 0.00 0.00 0.92 0.00 0.00 25 A 7.88 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.46 3.47 0.00 3.90 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 27 E 7.71 3.84 0.00 1.97 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 2.26 2.31 0.00 28 V 7.98 3.44 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 0.92 0.00 0.00 0.85 0.00 0.00 29 A 8.07 3.92 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 30 H 8.07 4.07 0.00 3.30 3.42 0.00 5.59 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 31 Q 7.90 3.90 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 32 L 7.90 4.30 0.00 1.55 1.67 0.83 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.31 3.94 0.00 3.23 3.40 0.00 5.84 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 34 A 8.08 4.76 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 35 A 8.62 4.34 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 36 F 8.59 5.55 0.00 2.88 2.91 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 37 L 8.96 4.24 0.00 1.64 1.36 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.07 4.61 0.00 2.29 1.65 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 39 G 8.61 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 0.00 0.00 0.00 40 D 8.26 4.49 0.00 2.45 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 41 F 7.91 5.03 0.00 3.14 2.93 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 42 L 7.88 4.71 0.00 1.92 1.81 0.93 1.44 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 43 H 7.73 4.35 0.00 3.22 3.06 0.00 5.67 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 44 P 0.00 4.48 0.00 2.19 1.99 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 45 R 8.74 4.01 0.00 1.84 1.98 0.00 3.16 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 46 R 8.20 3.97 0.00 1.83 1.99 0.00 3.12 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 47 N 8.71 4.24 0.00 2.75 2.41 0.00 0.00 7.06 7.33 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 48 I 7.53 3.68 2.00 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 1.60 0.64 0.88 0.00 0.00 49 E 8.59 3.87 0.00 2.02 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 0.00 2.51 2.47 0.00 50 K 7.84 4.02 0.00 1.71 1.73 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 51 M 8.25 4.01 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.76 0.00 52 A 7.44 3.99 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 53 S 7.97 4.41 0.00 4.03 3.98 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 54 G 7.89 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 55 E 8.07 4.65 0.00 2.01 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 2.24 2.23 0.00 56 P 0.00 4.39 0.00 2.06 2.01 0.00 3.68 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 2.04 2.12 0.00 57 L 8.33 4.34 0.00 1.60 1.56 0.65 0.92 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 58 N 10.54 5.11 0.00 3.00 3.01 0.00 0.00 7.28 7.95 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 59 D 8.53 4.54 0.00 2.80 2.90 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 60 D 8.14 4.47 0.00 2.69 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 61 D 12.00 4.48 0.00 3.10 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 62 R 8.58 4.27 0.00 1.71 1.98 0.00 3.14 0.00 0.00 2.51 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 63 K 7.87 3.86 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.56 7.81 64 P 0.00 4.35 0.00 2.27 2.12 0.00 3.91 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 2.16 2.17 0.00 65 W 8.25 4.29 0.00 3.28 3.37 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 66 L 8.05 3.48 0.00 1.75 1.52 0.71 0.16 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 67 Q 8.15 3.92 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 68 A 8.19 3.99 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 69 L 7.85 3.80 0.00 1.49 1.48 -0.18 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.49 4.19 0.00 2.69 2.95 0.00 0.00 7.23 8.52 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 71 D 8.37 4.38 0.00 2.87 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 72 A 8.24 3.98 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 73 A 8.24 3.88 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 74 F 7.96 3.96 0.00 3.02 3.24 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 75 A 8.36 4.05 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 76 M 8.49 3.99 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 77 Q 7.87 4.00 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 78 R 7.31 4.03 0.00 1.68 1.88 0.00 2.37 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 79 T 7.48 4.64 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 1.18 0.00 0.00 80 N 7.63 4.98 0.00 2.76 2.82 0.00 0.00 6.90 7.33 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 81 K 8.54 4.08 0.00 1.71 1.87 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.36 7.81 82 V 7.74 4.93 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 1.14 0.00 0.00 1.01 0.00 0.00 83 S 9.25 5.33 0.00 3.76 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 84 L 9.43 5.35 0.00 1.73 1.64 0.86 0.66 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 85 I 8.81 5.03 1.83 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 1.10 0.86 0.90 0.00 0.00 86 V 8.78 4.49 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 0.97 0.00 0.00 1.21 0.00 0.00 87 C 8.94 5.00 0.00 2.88 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 88 S 9.79 4.40 0.00 4.10 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 0.00 89 A 8.08 3.88 1.47 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 90 L 8.12 4.06 0.00 1.85 1.73 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.48 4.60 0.00 0.79 1.15 0.00 0.85 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 1.05 7.81 92 K 8.83 3.70 0.00 1.67 1.78 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.36 1.34 7.81 93 H 7.91 4.16 0.00 3.14 3.15 0.00 5.73 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 94 Y 7.47 4.30 0.00 3.09 2.84 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 0.00 0.00 0.00 95 R 7.83 4.03 0.00 1.65 1.12 0.00 2.21 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.68 0.00 96 D 8.28 4.40 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 97 L 7.66 3.98 0.00 1.79 1.68 0.91 1.05 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 98 L 7.67 4.11 0.00 1.96 1.69 0.96 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 99 R 8.25 4.27 0.00 2.12 2.02 0.00 3.21 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 100 E 7.34 4.10 0.00 2.03 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 2.35 2.48 0.00 101 G 9.08 3.98 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 0.00 0.00 0.00 102 N 8.09 5.02 0.00 2.86 2.66 0.00 0.00 6.94 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 0.00 103 P 0.00 4.34 0.00 2.10 2.15 0.00 3.64 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 2.10 2.11 0.00 104 N 8.03 4.77 0.00 2.82 2.95 0.00 0.00 5.77 6.67 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 0.00 105 L 7.58 4.85 0.00 1.49 1.59 0.76 0.29 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 0.00 106 S 8.54 4.80 0.00 4.10 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 0.00 107 F 9.53 5.26 0.00 3.02 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 0.00 108 I 9.04 4.94 1.97 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 1.25 1.09 0.95 0.00 0.00 109 Y 9.39 5.01 0.00 2.98 2.97 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 0.00 110 L 8.93 4.69 0.00 1.76 1.65 1.00 0.68 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 0.00 111 K 8.78 3.94 0.00 0.79 1.32 0.00 1.38 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.17 0.97 7.81 112 G 8.39 4.54 0.00 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0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 138 F 8.30 4.15 0.00 3.15 3.21 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 0.00 139 E 8.00 4.16 0.00 2.06 2.14 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 2.36 2.39 0.00 140 T 7.99 4.09 4.42 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 1.29 0.00 0.00 141 L 7.77 3.89 0.00 1.55 1.83 0.66 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.90 4.48 0.00 1.77 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 143 E 8.68 3.83 0.00 1.90 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 2.44 2.46 0.00 144 P 0.00 4.33 0.00 2.01 1.88 0.00 3.44 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 145 G 8.24 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 0.00 0.00 0.00 0.00 146 A 8.56 4.07 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 0.00 147 D 8.06 4.52 0.00 2.79 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 0.00 148 E 8.09 4.52 0.00 2.00 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 2.14 2.14 0.00 149 T 8.41 4.21 4.27 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 1.23 0.00 0.00 150 D 7.96 4.99 0.00 2.83 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 0.00 151 V 7.99 5.02 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 0.97 0.00 0.00 0.93 0.00 0.00 152 L 9.36 4.91 0.00 1.81 1.60 1.04 0.67 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 0.00 153 V 8.42 4.82 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 0.65 0.00 0.00 1.06 0.00 0.00 154 V 8.79 4.39 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 0.80 0.00 0.00 0.92 0.00 0.00 155 D 8.75 4.99 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.41 4.11 1.85 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 1.26 0.74 0.87 0.00 0.00 157 D 8.89 4.63 0.00 2.57 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 0.00 158 Q 7.08 4.54 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 159 P 0.00 4.70 0.00 2.17 2.00 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 160 L 8.46 3.89 0.00 1.73 1.66 0.89 0.73 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 0.00 161 E 8.32 3.95 0.00 2.05 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 2.37 2.38 0.00 162 G 7.98 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 0.00 0.00 0.00 163 V 7.83 3.53 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 1.05 0.00 0.00 0.94 0.00 0.00 164 V 8.25 3.49 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 0.92 0.00 0.00 0.90 0.00 0.00 165 A 8.24 3.94 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 0.00 166 S 8.65 4.03 0.00 3.90 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 0.00 167 T 8.09 3.81 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 1.11 0.00 0.00 168 I 8.01 3.58 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.48 0.85 0.00 0.00 169 E 8.39 3.87 0.00 2.08 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 0.00 2.28 2.29 0.00 170 V 7.55 3.58 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 171 I 7.40 3.47 1.73 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.67 0.00 0.00 172 K 8.18 4.17 0.00 1.76 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.39 7.81 173 K 8.23 3.99 0.00 1.88 2.15 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.50 7.81 174 G 7.32 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.