NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3181 8.1227 122.4500 51.8043 20.7785 175.3976 4 V 4.4274 8.4340 120.4485 61.2164 33.3907 172.8885 5 T 4.7069 10.0023 127.1875 62.1003 71.1683 173.5825 6 Q 5.2839 8.6689 123.4205 54.3882 32.0726 175.3280 7 S 4.7228 9.0680 118.4153 56.5148 67.0713 172.7840 8 P 4.8393 0.0000 0.0000 61.8833 33.1404 175.6386 9 R 4.3714 8.3883 115.5746 58.2352 31.2886 176.7235 10 N 5.5404 7.8391 113.6679 51.7081 43.0848 174.1801 11 K 4.5611 8.9544 121.1026 55.4833 36.4989 174.3117 12 V 5.0274 8.5635 126.2928 59.9575 33.7341 174.5198 13 A 4.8168 9.1924 125.9958 49.9807 23.3364 174.8265 14 V 5.1391 8.0358 118.1803 61.3406 33.5175 175.6896 15 T 4.1926 8.3295 122.9493 65.2292 68.7174 174.5873 16 G 3.9749 9.3097 115.6669 45.0500 0.0000 174.0944 17 G 3.8519 7.7706 106.9078 45.8095 0.0000 172.9536 18 K 4.9713 8.3791 122.2164 55.5752 33.7271 176.1527 19 V 4.5112 9.1432 125.5293 61.6404 35.3491 173.8911 20 T 4.9196 8.3742 122.8128 61.7839 72.0522 172.9273 21 L 4.7556 8.4836 126.4479 53.1166 44.1600 176.0415 22 S 5.3314 9.2497 120.0783 57.3624 66.2609 172.4279 23 C 5.4875 9.2939 121.2101 55.2981 42.8689 172.5807 24 Q 5.9079 9.6212 125.1983 53.2920 31.2565 174.6540 25 Q 5.7609 9.0742 121.8003 53.6726 31.5938 175.0641 26 T 4.6786 8.1412 108.3356 61.7556 69.6742 174.1233 27 N 4.3888 8.4410 117.7767 52.9373 39.4349 174.1391 28 N 4.1088 7.7501 115.4030 54.7136 37.3081 173.2797 29 H 4.9133 8.2907 113.4055 54.5829 30.2388 176.0043 30 N 4.6249 8.8424 121.5048 56.3670 38.9968 174.9180 31 N 5.3683 7.8242 115.0925 52.3364 40.3578 174.3324 32 M 5.2040 7.5450 120.5300 54.0671 36.9272 173.4863 33 Y 5.2437 9.0209 117.8146 56.3193 43.4155 174.5529 34 W 5.4725 8.8699 119.9759 55.7783 32.9809 174.2829 35 Y 5.7423 9.9317 122.8244 56.1181 42.0850 174.9360 36 R 5.0120 8.9492 115.9346 54.9771 33.0917 173.9346 37 Q 4.9815 9.4926 125.8136 54.9937 30.7813 174.2577 38 D 4.7038 8.5560 125.1830 52.5894 44.5963 175.0023 39 T 4.1311 8.4851 120.4481 67.4851 67.6377 172.2689 40 G 3.4538 8.4793 119.3936 45.7845 0.0000 172.5452 41 H 4.7893 7.3775 117.5421 54.3599 31.0365 177.2322 42 G 4.0772 7.9567 111.3535 45.5268 0.0000 175.7186 43 L 4.7865 8.5096 130.6164 53.1964 42.7652 175.0525 44 R 4.8588 8.4823 125.5702 54.2623 32.8514 175.3542 45 L 4.3098 8.7438 126.3140 55.4696 43.1081 176.5634 46 I 4.0873 8.9839 127.7177 63.1593 38.2713 175.1416 47 H 5.6288 7.9443 117.6917 54.7047 33.6382 171.4822 48 Y 5.2230 9.0779 119.0794 55.4536 42.2607 173.6444 49 S 4.3598 7.9519 112.6160 56.7704 65.4633 174.0054 50 Y 4.5384 8.4977 122.5713 57.6905 38.7650 175.6716 51 G 3.8342 7.1946 106.9944 44.3385 0.0000 171.6055 52 A 4.1928 8.3456 121.9922 53.7170 18.4873 178.3320 53 G 3.8840 9.0690 109.5788 45.7044 0.0000 173.1954 54 S 4.8365 7.8867 114.9176 56.6631 64.1022 173.9439 55 T 4.4912 8.2537 116.9520 60.8736 70.5480 172.6270 56 E 4.6699 8.9930 126.7538 53.9777 32.7874 175.3466 57 K 4.7074 8.5259 121.1503 56.0511 34.0826 177.2321 58 G 4.2194 8.7883 113.7226 46.4291 0.0000 173.9828 59 D 4.7169 9.1551 120.6221 56.5302 40.2567 177.4424 60 I 4.7665 7.8899 111.3043 58.5717 36.0384 174.4780 61 P 4.4547 0.0000 0.0000 66.1523 32.5362 178.0328 62 D 4.1886 7.4504 119.6120 55.4821 40.9303 176.9531 63 G 3.5949 8.8286 111.2842 46.5466 0.0000 171.8546 *65 Y 5.3309 7.4968 115.0608 57.8777 39.2816 174.3598 66 K 4.7963 8.8236 121.3982 55.0946 36.4119 174.1938 67 A 4.8310 8.0913 120.8237 52.1746 22.2567 175.8824 68 S 4.4064 8.6128 112.0365 57.6205 66.5406 174.1096 69 R 5.1069 8.7824 128.4517 53.1340 28.6638 174.1533 70 P 4.5412 0.0000 0.0000 64.7648 32.0027 176.7977 71 S 4.5842 7.4785 111.1715 56.8290 65.7703 173.5253 72 Q 4.0446 8.6361 120.7189 58.8041 29.0108 176.6170 73 E 4.3347 8.1175 115.8705 56.6732 30.4933 174.8920 74 Q 5.5917 7.6195 119.3471 53.3971 31.9473 174.4420 75 F 5.4305 8.8388 128.0794 57.6466 42.0240 173.2022 76 S 5.1665 9.4294 123.0955 56.6764 66.2087 172.8702 77 L 4.5037 8.0421 124.9948 53.1459 44.0721 174.9695 78 I 4.6704 8.3535 127.1157 59.4433 40.1716 174.5298 79 L 4.7324 8.9451 127.6878 53.0536 42.7690 177.2636 80 E 3.8548 8.7738 124.7738 58.3138 29.9367 177.2785 81 L 4.7114 7.3091 119.6124 51.8522 41.7906 175.2869 82 A 4.8054 9.3132 124.8661 51.7900 19.9614 176.7563 83 T 4.8205 8.4034 109.4674 59.3787 72.2787 172.9664 84 P 4.5660 0.0000 0.0000 66.0876 31.5780 179.0110 85 S 4.1131 8.0595 112.7895 61.4341 63.0903 174.8936 86 Q 4.5223 8.5895 118.3726 56.0914 28.5091 175.3676 87 T 4.3322 8.0104 116.9528 64.0510 68.6103 173.6362 88 S 4.4507 8.4512 120.3667 58.1144 67.3283 174.7855 89 V 4.6133 7.3456 121.0625 61.4857 33.0425 173.9563 90 Y 5.3571 9.1882 125.8939 56.5287 40.5946 174.6765 91 F 5.5098 9.7287 121.3906 56.0192 42.7113 173.5087 92 C 4.9696 9.6490 122.8003 55.0856 47.5587 172.0488 93 A 5.7142 8.4858 123.9043 51.7163 23.0265 174.8537 94 S 5.0275 8.5849 111.7670 57.0439 66.2498 174.0506 95 G 3.9860 8.7157 109.1793 44.1835 0.0000 177.2595 96 G 3.8310 8.5016 118.3600 44.5316 0.0000 172.6115 97 G 3.8589 8.3998 107.6248 45.0003 0.0000 172.8856 98 R 3.8090 8.3053 120.4405 57.2288 30.3365 177.0715 99 G 3.6633 8.2317 113.1096 45.4652 0.0000 173.9447 100 S 4.4641 7.0707 115.9484 56.4368 60.6884 173.8404 101 Y 4.2690 7.5944 121.9378 60.2423 38.3866 178.5086 102 A 3.9304 7.4788 121.5498 54.6312 18.7290 178.6704 *105 E 4.5341 7.9712 114.3007 56.4019 32.1827 176.4979 106 Q 4.6049 7.4827 116.8289 55.6688 30.1532 176.0641 107 F 4.8104 9.1319 119.4080 55.9769 42.3372 175.1322 108 F 5.0340 9.5416 122.8184 57.0984 40.1024 175.0013 109 G 4.3741 9.0586 107.9132 43.7231 0.0000 173.1082 110 P 4.1250 0.0000 0.0000 64.1209 31.3294 177.8756 111 G 3.3353 8.0794 104.0468 45.4919 0.0000 172.6544 112 T 4.8740 8.6747 117.0458 61.5388 72.0849 173.3080 113 R 4.6021 9.0703 126.6942 55.3525 31.7649 175.3336 114 L 5.8859 9.0881 125.8263 52.5417 45.6099 175.1278 115 T 4.8950 8.5778 121.5172 61.6910 72.7703 172.7737 116 V 5.4283 9.0625 126.4045 60.1665 33.9361 175.3648 *250 L 4.8036 8.3052 127.4578 56.1873 40.8192 176.7448 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 A 8.12 4.32 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.43 4.43 2.31 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 0.82 0.00 0.00 1.02 0.00 0.00 5 T 10.00 4.71 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 1.25 0.00 0.00 6 Q 8.67 5.28 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 7 S 9.07 4.72 0.00 3.78 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 8 P 0.00 4.84 0.00 2.37 2.09 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 9 R 8.39 4.37 0.00 1.78 2.03 0.00 3.28 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 10 N 7.84 5.54 0.00 2.55 2.66 0.00 0.00 6.65 7.61 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 11 K 8.95 4.56 0.00 1.82 1.60 0.00 1.45 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.39 7.81 12 V 8.56 5.03 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 0.79 0.00 0.00 0.94 0.00 0.00 13 A 9.19 4.82 1.19 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 0.00 0.00 14 V 8.04 5.14 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 1.15 0.00 0.00 0.92 0.00 0.00 15 T 8.33 4.19 4.23 0.00 0.00 0.00 0.00 0.00 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 16 G 9.31 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 17 G 7.77 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 18 K 8.38 4.97 0.00 1.74 1.67 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.37 7.81 19 V 9.14 4.51 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 0.60 0.00 0.00 0.88 0.00 0.00 20 T 8.37 4.92 4.17 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 1.12 0.00 0.00 21 L 8.48 4.76 0.00 0.65 1.29 -0.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.25 5.33 0.00 3.80 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 23 C 9.29 5.49 0.00 2.86 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 24 Q 9.62 5.91 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 25 Q 9.07 5.76 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.43 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 26 T 8.14 4.68 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 1.19 0.00 0.00 27 N 8.44 4.39 0.00 2.29 2.21 0.00 0.00 7.05 8.00 0.00 0.00 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 N 7.75 4.11 0.00 2.77 2.82 0.00 0.00 7.02 7.89 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 29 H 8.29 4.91 0.00 3.37 3.35 0.00 5.73 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 30 N 8.84 4.62 0.00 2.77 3.06 0.00 0.00 7.13 6.92 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 31 N 7.82 5.37 0.00 3.06 2.55 0.00 0.00 7.36 7.66 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 32 M 7.55 5.20 0.00 1.83 1.34 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 2.45 2.52 0.00 33 Y 9.02 5.24 0.00 2.70 2.30 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 34 W 8.87 5.47 0.00 3.22 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 35 Y 9.93 5.74 0.00 3.14 3.12 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 36 R 8.95 5.01 0.00 1.48 1.90 0.00 2.86 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 37 Q 9.49 4.98 0.00 2.43 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 38 D 8.56 4.70 0.00 2.76 2.56 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 39 T 8.49 4.13 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 1.20 0.00 0.00 40 G 8.48 3.45 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 0.00 41 H 7.38 4.79 0.00 3.17 3.26 0.00 5.65 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 42 G 7.96 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 43 L 8.51 4.79 0.00 1.38 1.43 0.90 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.48 4.86 0.00 1.91 1.89 0.00 3.20 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 45 L 8.74 4.31 0.00 1.82 1.72 0.60 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 46 I 8.98 4.09 1.87 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 1.01 0.40 0.54 0.00 0.00 47 H 7.94 5.63 0.00 3.14 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 9.08 5.22 0.00 2.42 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 49 S 7.95 4.36 0.00 2.94 2.63 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 0.00 0.00 0.00 50 Y 8.50 4.54 0.00 2.95 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 51 G 7.19 3.83 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 0.00 0.00 0.00 52 A 8.35 4.19 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 53 G 9.07 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.89 4.84 0.00 3.88 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 55 T 8.25 4.49 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 1.28 0.00 0.00 56 E 8.99 4.67 0.00 1.16 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 1.47 1.47 0.00 57 K 8.53 4.71 0.00 1.82 1.94 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.51 7.81 58 G 8.79 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 0.00 0.00 0.00 0.00 59 D 9.16 4.72 0.00 2.77 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 60 I 7.89 4.77 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.96 0.00 0.00 61 P 0.00 4.45 0.00 2.16 2.19 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 62 D 7.45 4.19 0.00 2.91 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 63 G 8.83 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.50 5.33 0.00 3.02 2.85 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 66 K 8.82 4.80 0.00 1.58 1.67 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.34 7.81 67 A 8.09 4.83 1.11 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 68 S 8.61 4.41 0.00 3.91 3.69 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 69 R 8.78 5.11 0.00 1.92 1.82 0.00 3.67 0.00 0.00 3.06 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 70 P 0.00 4.54 0.00 2.24 2.20 0.00 4.19 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 2.04 2.00 0.00 71 S 7.48 4.58 0.00 3.95 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 72 Q 8.64 4.04 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 73 E 8.12 4.33 0.00 2.12 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 2.34 2.33 0.00 74 Q 7.62 5.59 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 75 F 8.84 5.43 0.00 2.89 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 76 S 9.43 5.17 0.00 3.72 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 77 L 8.04 4.50 0.00 0.27 0.13 0.59 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.35 4.67 1.79 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 1.13 0.34 0.84 0.00 0.00 79 L 8.95 4.73 0.00 1.44 1.45 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.77 3.85 0.00 1.90 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 2.24 0.00 81 L 7.31 4.71 0.00 1.54 1.46 0.88 1.01 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 82 A 9.31 4.81 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 83 T 8.40 4.82 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 1.24 0.00 0.00 84 P 0.00 4.57 0.00 2.20 2.17 0.00 3.59 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 2.12 2.23 0.00 85 S 8.06 4.11 0.00 3.85 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 86 Q 8.59 4.52 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 87 T 8.01 4.33 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 1.28 0.00 0.00 88 S 8.45 4.45 0.00 3.77 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 89 V 7.35 4.61 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 0.48 0.00 0.00 0.93 0.00 0.00 90 Y 9.19 5.36 0.00 3.10 3.22 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 91 F 9.73 5.51 0.00 3.25 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 92 C 9.65 4.97 0.00 1.45 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 93 A 8.49 5.71 0.74 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 94 S 8.58 5.03 0.00 4.07 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 95 G 8.72 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 0.00 0.00 0.00 96 G 8.50 3.83 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 0.00 0.00 0.00 97 G 8.40 3.86 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 0.00 0.00 0.00 98 R 8.31 3.81 0.00 1.47 1.65 0.00 3.08 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.00 99 G 8.23 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 0.00 100 S 7.07 4.46 0.00 3.77 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 0.00 101 Y 7.59 4.27 0.00 3.03 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 0.00 102 A 7.48 3.93 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 *105 E 7.97 4.53 0.00 2.00 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 0.00 2.26 2.11 0.00 106 Q 7.48 4.60 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 107 F 9.13 4.81 0.00 3.07 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 F 9.54 5.03 0.00 2.85 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 0.00 109 G 9.06 4.37 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 0.00 110 P 0.00 4.12 0.00 2.24 2.28 0.00 3.90 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 2.05 2.03 0.00 111 G 8.08 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 0.00 0.00 0.00 112 T 8.67 4.87 4.44 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 1.33 0.00 0.00 113 R 9.07 4.60 0.00 1.87 1.87 0.00 3.21 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 114 L 9.09 5.89 0.00 1.88 2.00 1.01 1.04 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 0.00 115 T 8.58 4.90 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 116 V 9.06 5.43 2.21 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 0.86 0.00 0.00 0.98 0.00 0.00 *250 L 8.31 4.80 0.00 1.83 1.81 0.99 0.84 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 * Residues marked with a * may have inaccurate shift predictions.