NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7029 8.4249 119.2029 53.3333 39.1051 172.6309 4 I 4.7355 7.8348 124.9889 58.9745 41.3401 172.9264 5 T 4.9635 9.2167 122.9754 61.6497 72.6390 172.4120 6 I 4.8785 8.4013 125.4268 59.3825 41.1466 173.9138 7 Y 4.8002 9.2869 128.0551 57.6989 38.2785 173.6996 8 H 5.1184 9.6205 125.3930 54.1779 33.1320 172.6851 9 N 4.9316 8.8070 123.8172 50.8385 39.4513 172.4835 10 P 4.1553 0.0000 0.0000 65.0349 31.9764 177.1809 11 A 4.2279 7.9894 124.7450 50.8164 17.3215 176.8063 *13 G 4.0735 7.7955 113.1551 45.2540 0.0000 173.7688 14 T 3.9282 7.9147 116.5509 66.4840 68.3025 176.4955 15 S 4.1901 8.0358 114.5142 61.3382 62.5751 176.1854 16 R 4.0170 8.0306 120.3334 59.4583 29.8333 178.5947 17 N 4.5540 8.7459 116.6199 56.6692 38.5299 177.5950 18 T 3.7666 8.0674 117.1089 66.5134 68.5489 176.4008 19 L 3.9068 8.1725 122.4192 58.2960 42.0149 178.9547 20 E 4.0787 8.4238 118.5005 59.5953 29.1713 179.2297 21 M 3.4700 7.8535 118.3656 57.8971 32.1357 178.5585 22 I 3.7798 7.7554 120.0587 64.5470 37.2835 178.5780 23 R 4.4081 7.9755 120.1358 58.7366 29.8512 178.2815 24 N 4.5364 8.4643 116.0774 55.1977 38.7904 175.8685 25 S 4.7095 7.8602 113.9633 58.9722 63.6250 174.6516 26 G 4.0016 8.5713 111.4109 45.5550 0.0000 173.3125 27 T 4.5685 7.5352 108.1384 59.3079 71.7296 172.3633 28 E 4.5545 8.5949 124.4751 54.1644 30.1587 173.9372 29 P 4.7240 0.0000 0.0000 62.2123 33.2123 176.0533 30 T 3.9881 8.6562 118.1038 63.8833 69.4343 173.4715 31 I 4.7115 8.3177 127.0251 59.6809 39.2274 174.9091 32 I 4.2271 8.3500 128.6820 59.5483 39.2478 175.6786 33 L 4.6106 8.5330 128.6610 53.4870 40.0591 176.9608 34 Y 4.4816 8.2176 118.8915 59.4098 38.3845 178.7731 35 L 3.8590 7.0665 120.0962 56.6716 41.8556 177.4565 36 E 4.4180 7.9490 114.5847 56.7039 31.4210 175.7795 37 N 5.0806 8.1423 115.8514 50.6488 38.7889 172.1321 38 P 4.6284 0.0000 0.0000 61.7054 32.5653 175.3982 39 P 4.8269 0.0000 0.0000 62.0212 31.9396 176.7224 40 S 4.3959 8.6973 115.0490 57.9059 65.0241 175.2775 41 R 3.8451 8.4268 121.2669 59.8575 29.7168 178.1001 42 D 4.3694 8.0385 118.0330 57.3438 40.7342 178.4159 43 E 3.9516 8.2011 119.1383 59.3832 29.4989 179.2344 44 L 3.8493 8.3716 120.7485 57.9832 42.1410 179.0793 45 V 3.5566 8.1567 118.7075 65.8404 31.3826 177.9308 46 K 3.9188 8.2247 119.3886 59.4214 31.9946 178.5743 47 L 3.9430 8.1532 119.6079 58.0142 40.1406 179.6868 48 I 3.6275 7.8334 119.2301 64.2155 36.9024 178.2657 49 A 4.0764 8.0507 121.5560 55.5163 18.0253 179.5421 50 D 4.3530 8.2412 116.2881 57.5146 40.9648 178.3402 51 M 4.5783 7.6067 118.9313 54.7362 32.1113 176.5037 52 G 4.0122 7.7020 107.1198 46.3321 0.0000 173.1825 53 I 4.5443 6.8504 109.0223 57.9676 40.3428 175.1063 54 S 4.4081 8.2425 115.4365 57.6311 64.0558 175.0641 55 V 3.7076 8.4554 120.4189 66.4039 31.1569 178.1955 56 R 3.9680 8.0362 117.5635 59.2581 29.7722 178.0343 57 A 4.0588 7.9650 119.7189 54.3079 18.5527 178.0087 58 L 4.1013 7.8312 118.6322 56.3668 42.6414 176.2642 59 L 4.5580 7.6684 119.4512 54.8900 42.0722 176.6448 60 K 4.0753 8.9153 126.8018 56.0090 32.5402 177.0027 61 K 2.7810 8.2345 127.0339 54.6150 34.5491 175.7663 62 N 4.6621 8.2704 115.3122 54.1385 37.3762 174.3586 63 V 4.5749 7.0505 107.7300 57.9835 36.9993 175.2792 64 E 4.1022 9.0255 123.1170 58.4948 29.4417 177.6691 65 P 4.1034 0.0000 0.0000 65.8639 31.0166 177.5455 66 Y 3.7845 7.9468 118.7647 60.4611 38.8092 177.8608 67 E 4.0268 8.1883 119.2391 59.8180 29.4958 179.5095 68 Q 4.0793 8.1909 116.7895 58.4217 28.9486 177.2610 69 L 4.0695 7.7740 115.7405 54.2670 41.9604 176.9949 70 G 3.8521 7.7550 107.0122 46.5055 0.0000 175.9196 71 L 3.4867 7.1921 120.2294 55.9486 41.5924 178.6145 72 A 4.2254 7.1780 120.2465 53.9278 18.5855 177.6119 73 E 4.3369 7.8726 115.2090 56.0175 30.8190 177.0177 74 D 4.7899 8.3494 123.0605 53.4246 39.7437 176.0560 75 K 4.4980 7.5338 114.7890 55.6031 34.1527 176.4024 76 F 5.0602 8.0068 116.9155 55.1209 42.2834 175.7603 77 T 4.2556 9.1010 116.5545 61.2954 70.7091 175.4087 78 D 4.3972 8.6020 121.2393 57.8858 40.8417 178.9625 79 D 4.3681 8.0666 118.7442 57.2200 40.8566 178.5828 80 Q 3.8375 8.1764 118.8000 58.8954 28.6715 178.9191 81 L 4.1512 8.1981 120.0177 57.7938 41.6937 179.4878 82 I 3.7027 8.0912 120.1424 64.7180 37.1069 178.3197 83 D 4.3727 8.1779 119.4255 57.1117 40.5234 178.9133 84 F 4.5158 8.0181 118.6956 60.7014 38.4690 177.3932 85 M 4.1287 8.3595 118.4680 58.6527 31.5992 178.8370 86 L 4.0416 7.8219 117.5186 57.8607 41.8824 179.1881 87 Q 4.2971 7.8957 116.2149 57.2459 30.3102 176.4423 88 H 4.9586 8.0315 116.9901 53.3335 30.0559 172.1058 89 P 4.5916 0.0000 0.0000 64.4269 31.8496 178.6288 90 I 3.8530 7.7942 117.0543 63.2294 38.2042 176.4921 91 L 4.1630 8.4547 120.0950 56.7326 41.7064 176.2226 92 I 4.4018 7.7655 120.8684 60.1376 37.3350 175.6704 93 N 4.7320 8.8346 127.1572 53.7841 39.7763 173.8766 94 R 4.7171 8.5793 117.6332 54.1609 32.8597 172.7625 95 P 4.9316 0.0000 0.0000 61.4937 33.7206 174.5161 96 I 4.7396 8.1861 122.4489 60.4357 39.1647 174.7519 97 V 4.9338 8.8191 126.0653 61.0471 34.9494 174.0907 98 V 4.9855 9.0942 127.7251 61.4035 34.1384 174.4400 99 T 5.1860 9.0442 117.1300 59.1159 72.3264 173.0498 100 P 4.3354 0.0000 0.0000 65.0822 31.3351 177.7628 101 L 4.2438 8.3379 116.9070 54.6192 42.3686 177.1188 102 G 3.9709 6.2561 105.2814 45.2295 0.0000 170.6510 103 T 5.1952 7.8204 115.1013 61.8674 72.1205 173.7407 104 R 4.6264 8.8388 123.5107 54.1380 35.0725 174.4457 105 L 4.3518 8.5306 124.4425 54.9274 42.1263 177.0637 106 C 4.5025 8.9589 129.0169 58.3301 26.6667 172.6080 107 R 4.5862 7.6268 116.3564 53.3259 32.6243 173.9449 108 P 4.6190 0.0000 0.0000 61.6258 32.6827 177.5518 109 S 4.4269 8.8387 114.9642 60.8593 62.6497 175.8197 110 E 4.0551 8.1198 119.6675 57.8789 29.3134 178.5524 111 V 3.5468 7.8697 120.4986 66.2613 31.4812 177.9710 112 V 3.5970 7.9794 118.7049 64.6182 30.7164 178.2988 113 L 4.0070 7.9988 119.7249 57.5784 41.0932 179.0359 114 D 4.4465 8.0899 118.9451 56.3894 40.8516 177.1240 115 I 4.2625 7.3316 109.5021 60.3165 38.4379 175.4733 116 L 4.2179 7.2342 122.8293 54.5268 41.9764 177.0538 117 Q 4.1025 8.8436 123.3583 58.4613 29.0214 176.3904 118 D 4.8149 7.6859 115.5897 52.1069 42.6131 176.2538 119 A 4.1423 8.3055 125.3246 51.8419 19.0886 177.5074 120 Q 4.1563 8.5554 119.0682 56.7910 29.1185 177.8513 121 K 4.1917 8.8810 120.9322 57.6217 32.5799 176.5441 122 G 4.1454 7.3559 103.5485 45.5674 0.0000 172.9941 123 A 4.6354 9.1267 122.1240 52.2654 19.2533 177.3372 124 F 4.7323 9.2162 122.3758 56.5981 42.4716 173.9106 125 T 4.8526 7.3652 121.8278 61.2050 71.1775 174.3317 126 K 4.3161 9.1390 126.2539 56.0560 32.7741 177.9474 127 E 3.8761 9.1406 119.3267 59.0174 29.4382 177.6139 128 D 4.5971 8.1163 117.3243 53.0567 39.6283 177.1974 129 G 3.8554 8.1801 109.0545 45.2273 0.0000 173.6950 130 E 4.0059 8.4668 122.1122 55.7048 29.8579 176.1359 131 K 4.3862 8.5918 126.4899 56.5856 33.1488 175.7859 132 V 4.2865 9.0282 121.9162 63.9811 33.4360 175.6513 133 V 4.9173 7.5230 112.1995 59.3663 35.0815 175.5404 134 D 5.1927 8.6242 123.3547 52.0530 41.2798 176.9953 135 E 4.0476 8.6493 117.4080 59.4568 29.4652 178.6119 136 A 4.0166 7.9754 120.4561 53.5558 18.6331 178.1126 137 G 4.0390 8.2476 103.3727 44.9478 0.0000 173.5537 138 K 4.2040 8.5386 122.0592 55.2251 32.9137 176.4194 139 R 4.3792 8.5428 125.3736 56.5396 30.6056 176.6712 140 L 4.2933 8.8444 122.3638 54.9089 41.7517 176.3623 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 N 8.42 4.70 0.00 2.69 2.84 0.00 0.00 6.79 7.06 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 4 I 7.83 4.74 1.85 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 1.33 0.67 0.95 0.00 0.00 5 T 9.22 4.96 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 0.84 0.00 0.00 6 I 8.40 4.88 1.85 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 1.29 1.90 0.91 0.00 0.00 7 Y 9.29 4.80 0.00 2.92 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 8 H 9.62 5.12 0.00 3.23 3.18 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 9 N 8.81 4.93 0.00 2.93 2.80 0.00 0.00 7.20 6.97 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 10 P 0.00 4.16 0.00 2.19 2.18 0.00 3.69 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 11 A 7.99 4.23 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 *13 G 7.80 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 14 T 7.91 3.93 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 15 S 8.04 4.19 0.00 3.97 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 16 R 8.03 4.02 0.00 2.10 2.03 0.00 3.23 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 17 N 8.75 4.55 0.00 2.76 3.02 0.00 0.00 7.08 7.04 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 18 T 8.07 3.77 4.39 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 1.19 0.00 0.00 19 L 8.17 3.91 0.00 1.61 1.77 0.85 1.10 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 20 E 8.42 4.08 0.00 2.36 2.29 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 2.67 2.62 0.00 21 M 7.85 3.47 0.00 1.61 1.84 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.48 0.00 22 I 7.76 3.78 1.97 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 1.47 0.84 0.92 0.00 0.00 23 R 7.98 4.41 0.00 2.02 2.00 0.00 3.36 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 24 N 8.46 4.54 0.00 3.03 3.08 0.00 0.00 6.92 8.48 0.00 0.00 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 S 7.86 4.71 0.00 4.24 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 26 G 8.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.54 4.57 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 1.20 0.00 0.00 28 E 8.59 4.55 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 2.21 2.32 0.00 29 P 0.00 4.72 0.00 2.06 1.99 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 30 T 8.66 3.99 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 1.14 0.00 0.00 31 I 8.32 4.71 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.94 0.00 0.00 32 I 8.35 4.23 1.34 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.99 0.00 0.00 33 L 8.53 4.61 0.00 1.69 1.57 0.91 0.83 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 34 Y 8.22 4.48 0.00 3.31 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 35 L 7.07 3.86 0.00 1.38 1.58 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.95 4.42 0.00 2.04 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 2.23 2.30 0.00 37 N 8.14 5.08 0.00 2.71 2.81 0.00 0.00 7.02 8.43 0.00 0.00 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 P 0.00 4.63 0.00 2.24 2.17 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 39 P 0.00 4.83 0.00 2.16 2.04 0.00 3.45 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.68 0.00 40 S 8.70 4.40 0.00 4.08 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 41 R 8.43 3.85 0.00 1.89 1.96 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 42 D 8.04 4.37 0.00 2.73 2.70 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 43 E 8.20 3.95 0.00 2.20 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 2.36 2.34 0.00 44 L 8.37 3.85 0.00 1.73 1.76 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.16 3.56 2.23 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 0.93 0.00 0.00 0.99 0.00 0.00 46 K 8.22 3.92 0.00 1.86 1.92 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.48 7.81 47 L 8.15 3.94 0.00 1.74 1.59 0.42 0.76 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 48 I 7.83 3.63 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.93 0.00 0.00 49 A 8.05 4.08 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 50 D 8.24 4.35 0.00 2.63 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 51 M 7.61 4.58 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.38 0.00 52 G 7.70 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 53 I 6.85 4.54 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.94 0.00 0.00 54 S 8.24 4.41 0.00 4.01 3.92 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 0.00 0.00 0.00 55 V 8.46 3.71 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 1.09 0.00 0.00 0.93 0.00 0.00 56 R 8.04 3.97 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 57 A 7.96 4.06 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 58 L 7.83 4.10 0.00 1.72 1.83 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.67 4.56 0.00 1.82 1.72 1.04 0.81 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 60 K 8.92 4.08 0.00 1.66 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.37 7.81 61 K 8.23 2.78 0.00 1.41 1.14 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.76 1.08 7.81 62 N 8.27 4.66 0.00 2.75 2.78 0.00 0.00 7.12 7.71 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 63 V 7.05 4.57 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 0.81 0.00 0.00 1.00 0.00 0.00 64 E 9.03 4.10 0.00 2.02 1.95 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 2.46 2.24 0.00 65 P 0.00 4.10 0.00 2.14 2.04 0.00 3.68 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 2.08 2.03 0.00 66 Y 7.95 3.78 0.00 3.04 3.11 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 67 E 8.19 4.03 0.00 2.24 1.99 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 2.40 2.49 0.00 68 Q 8.19 4.08 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 69 L 7.77 4.07 0.00 1.15 1.02 0.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.75 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 71 L 7.19 3.49 0.00 0.33 1.08 0.58 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.18 4.23 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 E 7.87 4.34 0.00 2.21 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 2.34 2.26 0.00 74 D 8.35 4.79 0.00 2.67 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 75 K 7.53 4.50 0.00 0.80 1.26 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.27 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.17 1.27 7.81 76 F 8.01 5.06 0.00 3.05 3.02 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 77 T 9.10 4.26 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 1.22 0.00 0.00 78 D 8.60 4.40 0.00 2.76 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 79 D 8.07 4.37 0.00 2.75 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 80 Q 8.18 3.84 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 81 L 8.20 4.15 0.00 1.90 1.77 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.09 3.70 1.98 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 1.51 1.01 0.89 0.00 0.00 83 D 8.18 4.37 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 4.52 0.00 3.21 2.95 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 85 M 8.36 4.13 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.64 0.00 86 L 7.82 4.04 0.00 1.77 1.74 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.90 4.30 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.18 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 88 H 8.03 4.96 0.00 3.29 3.20 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 89 P 0.00 4.59 0.00 2.23 2.34 0.00 3.91 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 90 I 7.79 3.85 1.90 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 1.45 0.78 0.96 0.00 0.00 91 L 8.45 4.16 0.00 1.91 1.76 0.95 0.90 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 92 I 7.77 4.40 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 1.08 0.54 0.60 0.00 0.00 93 N 8.83 4.73 0.00 2.86 2.66 0.00 0.00 7.05 8.07 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 94 R 8.58 4.72 0.00 1.77 1.62 0.00 3.35 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 95 P 0.00 4.93 0.00 2.18 2.29 0.00 4.00 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 2.05 1.87 0.00 96 I 8.19 4.74 1.83 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 1.10 0.52 0.88 0.00 0.00 97 V 8.82 4.93 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 0.97 0.00 0.00 0.94 0.00 0.00 98 V 9.09 4.99 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 1.06 0.00 0.00 1.07 0.00 0.00 99 T 9.04 5.19 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 0.00 100 P 0.00 4.34 0.00 2.06 2.16 0.00 3.66 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 2.14 2.11 0.00 101 L 8.34 4.24 0.00 1.79 1.71 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 G 6.26 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 0.00 103 T 7.82 5.20 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 1.27 0.00 0.00 104 R 8.84 4.63 0.00 1.66 1.73 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 105 L 8.53 4.35 0.00 1.59 1.58 0.90 0.89 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 0.00 106 C 8.96 4.50 0.00 2.88 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 0.00 107 R 7.63 4.59 0.00 1.72 1.81 0.00 3.47 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 108 P 0.00 4.62 0.00 2.42 2.20 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 109 S 8.84 4.43 0.00 4.06 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 0.00 110 E 8.12 4.06 0.00 2.17 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 2.36 2.31 0.00 111 V 7.87 3.55 2.20 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 1.10 0.00 0.00 0.94 0.00 0.00 112 V 7.98 3.60 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 0.66 0.00 0.00 0.89 0.00 0.00 113 L 8.00 4.01 0.00 1.75 1.73 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.09 4.45 0.00 2.73 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 0.00 115 I 7.33 4.26 1.86 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 1.34 0.60 0.90 0.00 0.00 116 L 7.23 4.22 0.00 1.56 1.62 0.84 0.84 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 0.00 117 Q 8.84 4.10 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.69 4.81 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.31 4.14 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 0.00 120 Q 8.56 4.16 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 121 K 8.88 4.19 0.00 1.82 1.87 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 122 G 7.36 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 123 A 9.13 4.64 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 0.00 124 F 9.22 4.73 0.00 3.20 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 0.00 125 T 7.37 4.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 126 K 9.14 4.32 0.00 1.86 1.79 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.63 7.81 127 E 9.14 3.88 0.00 2.06 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 2.48 2.27 0.00 128 D 8.12 4.60 0.00 2.80 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 0.00 129 G 8.18 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 0.00 130 E 8.47 4.01 0.00 2.12 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 2.33 2.30 0.00 131 K 8.59 4.39 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 132 V 9.03 4.29 2.48 0.00 0.00 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 1.14 0.00 0.00 133 V 7.52 4.92 2.12 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 0.78 0.00 0.00 1.04 0.00 0.00 134 D 8.62 5.19 0.00 2.86 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 0.00 135 E 8.65 4.05 0.00 1.99 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 0.00 2.32 2.26 0.00 136 A 7.98 4.02 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 0.00 137 G 8.25 4.04 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 0.00 0.00 0.00 138 K 8.54 4.20 0.00 1.81 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 139 R 8.54 4.38 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 140 L 8.84 4.29 0.00 1.60 1.58 0.94 0.83 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.