NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 A 4.3707 8.1227 123.6033 52.1014 19.3778 177.2401 20 E 3.9601 8.8536 113.0436 58.2222 29.5213 178.5785 21 F 4.3335 9.1066 122.0045 61.9170 39.6251 175.9442 22 D 4.3739 8.1806 117.0618 57.0564 40.6365 179.1168 23 A 3.6403 7.7280 121.0925 54.8286 18.4983 179.6127 24 V 3.1783 7.0926 116.4224 66.0340 31.4693 178.1904 25 V 3.4092 7.4756 118.0745 66.0467 30.6778 178.2952 26 G 3.3237 7.2680 104.2495 47.8147 0.0000 175.4752 27 Y 4.3935 7.2977 118.9855 60.5345 37.7712 177.9067 28 L 3.7856 7.9438 120.3014 58.0848 41.7582 178.9303 29 E 3.7747 7.5536 118.2216 59.7788 29.1932 178.6220 30 D 4.3613 7.4382 115.5868 56.9456 41.1113 178.0704 31 I 3.8760 8.0147 120.9436 64.1811 37.0323 178.0092 32 I 2.8213 7.5393 118.0341 63.0532 37.9162 176.1380 33 M 4.3482 7.3883 116.4707 55.1920 31.9357 175.6673 34 D 4.7263 7.3594 119.7733 53.8641 42.3564 175.4415 35 D 5.0301 9.0187 117.5070 52.6951 39.9830 177.2960 36 E 4.1389 8.5883 122.6899 59.1318 29.5741 178.2529 37 F 3.7543 8.2058 120.5567 61.3814 39.7549 177.0139 38 Q 4.1187 8.1327 118.4139 58.1385 28.3811 178.5330 39 L 3.8877 7.5191 120.3239 57.7378 42.1517 178.4483 40 L 3.7339 7.5947 120.3586 58.3157 41.6135 178.9913 41 Q 3.8378 7.6546 117.7587 59.0204 28.5326 179.2029 42 R 3.4469 7.6017 118.5625 59.2910 29.9046 178.9860 43 N 4.4375 8.0928 115.1612 55.9368 38.8219 177.1641 44 F 4.3223 8.1265 122.2682 61.7009 39.5954 177.1939 45 M 3.8700 7.9096 118.2745 58.3335 31.2812 178.2467 46 D 4.8566 8.0093 118.4990 57.5980 41.0336 178.7999 47 K 4.0399 7.7418 117.4671 57.9996 32.3666 177.1477 48 Y 4.9048 7.6740 113.7384 57.1983 39.8560 176.5737 49 Y 4.6677 9.0013 119.7060 59.7784 37.9444 177.7841 50 L 4.5777 7.1314 118.2503 55.5061 40.6357 176.8351 51 E 4.2996 8.3570 120.1824 57.7273 30.1678 176.4498 52 F 4.1574 7.7850 117.2895 56.6381 39.3719 174.7616 53 E 4.8147 9.4732 125.8885 54.7103 31.8985 176.5304 54 D 4.7332 8.4414 123.1468 52.9969 39.7327 175.0477 55 T 4.8418 7.4144 111.2723 59.0762 72.5456 174.8963 56 E 4.1175 8.7444 120.1653 58.9176 30.0880 177.2715 57 E 4.1038 8.0565 120.3980 55.7741 30.2612 175.6068 58 N 4.8328 8.5198 123.2634 52.1415 40.4804 174.5961 59 K 4.1095 5.9807 119.3170 54.9145 33.8903 177.9891 60 L 3.8982 8.3214 122.4830 58.0223 41.0644 179.8076 61 I 3.8736 7.4884 111.6201 63.3756 37.4588 177.6052 62 Y 4.3150 7.8191 119.4340 61.3151 37.6193 178.3295 63 T 4.0737 8.0219 116.7747 66.2574 68.5967 174.9047 64 P 4.4296 0.0000 0.0000 66.0307 31.1099 178.3782 65 I 3.6777 7.5793 118.4123 64.0354 37.0055 178.0482 66 F 3.9259 8.8705 121.9440 61.5571 39.2494 177.0388 67 N 4.1115 8.7688 116.4250 55.9440 38.2267 177.1178 68 E 3.9864 8.5902 121.1715 59.3624 29.7226 178.1259 69 Y 3.2388 8.4095 119.8366 60.5510 38.7345 178.2133 70 I 3.2778 7.5141 120.4889 64.4067 37.1889 178.6063 71 S 4.0229 7.8511 115.9270 61.3144 62.5315 176.5642 72 L 3.8620 7.8320 122.9844 58.0421 41.7923 179.0907 73 V 3.3940 7.3340 118.2401 66.0733 30.9021 177.4441 74 E 3.8445 8.1273 119.0803 59.2005 29.4513 178.6267 75 K 4.0501 8.0432 119.4627 59.0709 32.3331 178.1523 76 Y 4.0326 8.3805 120.3671 60.5451 38.6875 177.5211 77 I 3.4242 7.9938 119.8744 64.3758 37.9558 177.3212 78 E 3.9190 7.8338 118.8197 59.1626 29.3083 178.1256 79 E 3.8846 7.6869 117.2754 59.9374 29.7570 179.3554 80 Q 3.8827 7.6658 117.5650 58.6785 28.7202 178.6561 81 L 3.6078 7.9250 120.3223 56.5027 41.6144 178.3578 82 L 4.5864 7.6374 118.0284 56.2234 40.8351 178.2050 83 Q 4.0254 7.3982 118.9543 58.1105 28.6770 177.9348 84 R 4.2158 7.3372 118.1765 57.0207 31.2535 176.8945 85 I 4.4299 7.3420 123.5590 58.6099 38.3816 174.3840 86 P 5.0402 0.0000 0.0000 63.6122 31.2833 177.1602 87 E 4.6473 7.8663 116.7984 55.7121 30.2706 175.3425 88 F 4.1608 8.6419 123.0234 58.0978 39.7296 174.5540 89 N 4.5928 7.9753 126.4958 51.7354 40.2527 174.1932 90 M 3.8259 8.4522 127.5592 58.9557 32.2530 177.6748 91 A 3.9801 8.0079 119.7958 55.1418 18.4757 179.2070 92 A 3.9295 8.0988 119.1086 55.3570 18.6001 179.6881 93 F 4.2940 7.8996 118.7205 61.7372 39.4144 177.2905 94 T 3.6264 8.4133 113.2162 65.2262 66.9129 176.4586 95 T 3.9195 8.3510 117.4517 67.0921 68.6802 176.7760 96 T 4.0096 7.8634 115.9097 65.8843 68.5432 175.8696 97 L 4.0958 7.3455 121.7488 57.2890 42.2403 178.1209 98 Q 4.2700 8.2176 115.0884 55.9382 28.7117 174.2833 99 H 4.9404 8.7637 121.1100 56.1053 31.8173 174.7125 100 H 4.5472 9.4625 121.9962 56.8025 28.1082 175.6288 101 K 4.3013 7.3007 118.4000 55.1008 31.5366 174.6896 102 D 4.6424 7.5491 118.3394 52.1335 44.1985 175.0068 *105 A 4.6474 8.6908 128.4590 52.2507 21.2883 176.3809 106 G 4.0845 7.6654 106.8607 45.7850 0.0000 174.3904 107 D 4.7874 8.8595 120.5405 53.3546 43.3393 176.6998 108 I 4.1230 7.2416 111.6150 62.0429 38.5054 177.6518 109 F 4.3116 7.5351 119.2506 60.4922 38.4830 177.0011 110 D 4.5118 8.1120 117.7468 57.4925 40.5431 177.8491 111 M 4.0298 7.8225 118.2280 58.1661 31.9564 178.0898 112 L 4.2171 8.1220 119.7191 57.7041 41.7866 179.1446 113 L 4.0517 8.6039 120.6779 58.2184 41.9670 178.8227 114 T 3.8537 7.2842 115.4123 67.0565 68.2074 176.2496 115 F 4.8719 7.2218 117.4402 60.0115 39.0026 176.7110 116 T 4.9045 7.9452 107.3099 60.7878 69.5326 174.1440 117 D 4.6726 8.0066 123.3245 53.6223 41.1779 176.3374 118 F 3.6154 8.9221 129.9367 61.1454 39.4003 176.8419 119 L 3.9207 7.9636 118.1105 57.5946 41.5693 179.0960 120 A 4.0226 8.6537 121.0886 54.8755 18.3351 179.3447 121 F 4.0727 8.2178 119.3582 61.4006 39.3928 177.3415 122 K 3.4446 7.7604 119.1815 59.2821 31.8404 178.7571 123 E 3.8780 7.8208 118.5224 59.2504 29.2323 178.6262 124 M 3.8322 8.2966 118.7159 58.9318 32.2006 178.4221 125 F 3.5435 7.4626 117.4638 60.1990 38.9499 177.7853 126 L 4.0580 7.8752 118.7728 57.8909 41.5802 179.2237 127 D 4.3618 8.3367 119.1677 57.4101 40.6082 178.2782 128 Y 3.8239 7.7563 120.0178 60.4261 38.7848 177.8728 129 R 3.9617 8.1866 119.4595 59.5325 30.0526 178.2519 130 A 3.9862 7.6175 118.7551 55.0460 18.3859 178.9070 131 E 3.8696 7.6137 116.3357 59.5020 29.8292 179.0408 132 K 3.9558 7.5140 117.1157 58.3062 32.6322 177.9335 133 E 4.2803 7.8021 118.9754 56.6067 28.3173 177.0873 134 G 3.8461 8.6190 111.3672 45.4280 0.0000 171.7124 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 19 A 8.12 4.37 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 20 E 8.85 3.96 0.00 2.21 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 2.52 2.51 0.00 21 F 9.11 4.33 0.00 3.29 3.15 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 22 D 8.18 4.37 0.00 2.79 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 23 A 7.73 3.64 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 24 V 7.09 3.18 1.71 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 0.12 0.00 0.00 0.89 0.00 0.00 25 V 7.48 3.41 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 0.75 0.00 0.00 0.50 0.00 0.00 26 G 7.27 3.32 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 0.00 27 Y 7.30 4.39 0.00 2.92 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 28 L 7.94 3.79 0.00 1.63 1.62 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.55 3.77 0.00 2.07 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 2.25 2.34 0.00 30 D 7.44 4.36 0.00 2.93 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 31 I 8.01 3.88 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.79 0.00 0.00 32 I 7.54 2.82 1.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 0.83 0.00 0.00 33 M 7.39 4.35 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.56 0.00 34 D 7.36 4.73 0.00 2.92 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 35 D 9.02 5.03 0.00 3.00 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 36 E 8.59 4.14 0.00 2.23 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 0.00 2.46 2.42 0.00 37 F 8.21 3.75 0.00 3.39 3.09 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 0.00 0.00 0.00 38 Q 8.13 4.12 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 39 L 7.52 3.89 0.00 1.77 1.79 0.90 0.44 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 40 L 7.59 3.73 0.00 1.39 1.30 0.66 -0.04 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 41 Q 7.65 3.84 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.04 1.59 0.00 42 R 7.60 3.45 0.00 1.98 1.98 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 43 N 8.09 4.44 0.00 2.86 2.89 0.00 0.00 7.04 8.13 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 44 F 8.13 4.32 0.00 3.20 3.25 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 0.00 45 M 7.91 3.87 0.00 0.95 0.88 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.96 0.00 46 D 8.01 4.86 0.00 2.85 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 47 K 7.74 4.04 0.00 0.84 1.26 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.31 1.59 7.81 48 Y 7.67 4.90 0.00 3.10 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 Y 9.00 4.67 0.00 3.43 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 50 L 7.13 4.58 0.00 1.61 1.47 0.78 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.36 4.30 0.00 1.84 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 2.53 2.53 0.00 52 F 7.78 4.16 0.00 3.22 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 53 E 9.47 4.81 0.00 2.00 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 2.49 2.39 0.00 54 D 8.44 4.73 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 4.84 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 1.24 0.00 0.00 56 E 8.74 4.12 0.00 2.14 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 0.00 2.30 2.32 0.00 57 E 8.06 4.10 0.00 1.95 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 2.24 2.31 0.00 58 N 8.52 4.83 0.00 2.81 2.97 0.00 0.00 7.07 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 59 K 5.98 4.11 0.00 0.79 1.26 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 0.79 7.81 60 L 8.32 3.90 0.00 1.59 1.66 0.86 0.63 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 61 I 7.49 3.87 1.83 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 1.45 0.72 0.86 0.00 0.00 62 Y 7.82 4.32 0.00 3.28 3.39 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 0.00 63 T 8.02 4.07 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 1.25 0.00 0.00 64 P 0.00 4.43 0.00 2.28 2.34 0.00 3.87 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 2.26 2.07 0.00 65 I 7.58 3.68 2.19 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.53 0.99 0.00 0.00 66 F 8.87 3.93 0.00 3.15 3.32 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 67 N 8.77 4.11 0.00 2.87 2.81 0.00 0.00 6.72 7.55 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 68 E 8.59 3.99 0.00 2.34 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 2.72 2.53 0.00 69 Y 8.41 3.24 0.00 2.89 3.07 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 70 I 7.51 3.28 1.69 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.04 0.76 0.00 0.00 71 S 7.85 4.02 0.00 4.00 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 72 L 7.83 3.86 0.00 1.77 1.50 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.33 3.39 1.53 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 0.43 0.00 0.00 0.00 0.00 0.00 74 E 8.13 3.84 0.00 2.21 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 2.31 2.46 0.00 75 K 8.04 4.05 0.00 1.89 2.05 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 76 Y 8.38 4.03 0.00 3.13 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 77 I 7.99 3.42 1.75 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 1.33 1.24 0.95 0.00 0.00 78 E 7.83 3.92 0.00 2.31 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 2.50 2.54 0.00 79 E 7.69 3.88 0.00 2.15 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 2.32 2.36 0.00 80 Q 7.67 3.88 0.00 1.71 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 81 L 7.93 3.61 0.00 1.53 0.73 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.64 4.59 0.00 2.10 1.97 0.96 0.66 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 83 Q 7.40 4.03 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 84 R 7.34 4.22 0.00 1.34 1.42 0.00 2.79 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 85 I 7.34 4.43 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 1.00 0.00 0.00 86 P 0.00 5.04 0.00 2.06 2.09 0.00 3.92 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 87 E 7.87 4.65 0.00 1.95 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 2.21 2.27 0.00 88 F 8.64 4.16 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 89 N 7.98 4.59 0.00 2.67 2.50 0.00 0.00 6.79 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 90 M 8.45 3.83 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.79 0.00 91 A 8.01 3.98 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 92 A 8.10 3.93 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 93 F 7.90 4.29 0.00 3.18 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 94 T 8.41 3.63 4.48 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 0.00 0.00 0.00 1.24 0.00 0.00 95 T 8.35 3.92 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 1.27 0.00 0.00 96 T 7.86 4.01 4.35 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 1.04 0.00 0.00 97 L 7.35 4.10 0.00 1.49 1.53 0.86 0.43 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 98 Q 8.22 4.27 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 99 H 8.76 4.94 0.00 3.28 2.13 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 9.46 4.55 0.00 3.19 3.30 0.00 5.49 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.30 4.30 0.00 1.03 0.74 0.00 1.35 0.00 0.00 1.24 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.88 7.81 102 D 7.55 4.64 0.00 2.60 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 0.00 0.00 0.00 0.00 *105 A 8.69 4.65 0.97 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 0.00 106 G 7.67 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 0.00 107 D 8.86 4.79 0.00 2.60 2.59 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 0.00 108 I 7.24 4.12 1.69 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.29 0.77 0.00 0.00 109 F 7.54 4.31 0.00 3.16 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 0.00 110 D 8.11 4.51 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 M 7.82 4.03 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 112 L 8.12 4.22 0.00 2.02 1.91 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.60 4.05 0.00 1.88 1.88 0.99 0.89 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 0.00 114 T 7.28 3.85 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 1.01 0.00 0.00 115 F 7.22 4.87 0.00 3.17 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 0.00 116 T 7.95 4.90 4.43 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 0.00 0.00 0.00 1.32 0.00 0.00 117 D 8.01 4.67 0.00 2.83 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 0.00 118 F 8.92 3.62 0.00 2.62 2.92 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 0.00 119 L 7.96 3.92 0.00 1.94 1.72 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.65 4.02 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 0.00 121 F 8.22 4.07 0.00 3.30 3.17 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 0.00 122 K 7.76 3.44 0.00 1.40 1.69 0.00 1.99 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 123 E 7.82 3.88 0.00 2.12 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 2.48 2.43 0.00 124 M 8.30 3.83 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.19 0.00 125 F 7.46 3.54 0.00 2.16 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.88 4.06 0.00 1.82 1.70 1.03 1.04 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 0.00 127 D 8.34 4.36 0.00 2.63 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 0.00 128 Y 7.76 3.82 0.00 2.92 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 0.00 129 R 8.19 3.96 0.00 2.33 2.15 0.00 3.53 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.27 0.00 130 A 7.62 3.99 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 0.00 131 E 7.61 3.87 0.00 1.99 1.60 0.00 0.00 0.00 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 2.23 0.00 132 K 7.51 3.96 0.00 1.27 1.42 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.57 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.27 7.81 133 E 7.80 4.28 0.00 2.10 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 2.41 2.55 0.00 134 G 8.62 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 * Residues marked with a * may have inaccurate shift predictions.