NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2423 8.2649 123.5835 51.4315 20.8345 177.4137 3 C 4.5522 7.5343 117.4270 56.3979 30.8368 172.1016 4 P 4.2240 0.0000 0.0000 65.7302 31.4394 178.1392 5 L 4.0441 7.8317 118.4116 58.1272 42.1028 178.7281 6 E 3.9916 8.0900 118.2157 59.2205 29.4238 179.0146 7 K 3.9743 8.4393 119.7896 59.2167 32.1870 178.6825 8 A 4.0034 8.5409 121.5731 55.2832 18.3369 179.6043 9 L 3.9836 7.9065 117.3788 57.7742 41.6331 179.0905 10 D 4.3551 8.2469 118.0489 57.6642 41.1891 178.7040 11 V 3.7868 8.0595 118.7147 66.2717 31.4175 177.9212 12 M 4.2720 8.2995 118.7063 58.2800 31.2954 178.9028 13 V 4.1021 8.1102 118.4203 66.1053 31.8639 178.3059 14 S 4.2653 8.6708 115.3335 62.0260 62.5280 176.6999 15 T 4.0185 8.0869 118.4166 66.6771 68.2854 176.2133 16 F 3.7515 7.9043 121.8383 61.7289 39.5023 176.8273 17 H 4.9704 8.1347 115.4344 57.3604 28.3573 177.5424 18 K 3.9425 7.9756 121.1131 58.7017 31.6912 177.2889 19 Y 4.4669 7.3234 115.9225 58.8312 39.3182 178.1294 20 S 4.1562 7.7674 114.7673 60.9563 63.2673 175.7861 21 G 3.7221 7.4036 106.2178 45.5511 0.0000 174.7070 22 K 4.0636 7.7515 119.9970 58.6876 32.1956 177.0660 23 E 4.7175 8.4696 115.5676 54.6839 34.2970 177.8180 24 G 3.5664 8.5245 108.8071 46.2345 0.0000 174.2492 25 D 4.3181 8.5511 122.4748 54.4898 41.4030 177.3822 26 K 4.1225 8.3939 125.4169 58.1272 32.3296 177.5739 27 F 5.3204 8.9483 117.1141 56.9173 39.3742 174.9147 28 K 5.1502 7.7702 117.5056 55.0340 36.6106 175.6199 29 L 4.7987 9.0596 122.9639 53.2510 43.4425 176.5422 30 N 4.9019 9.1026 122.2664 51.7541 39.2789 176.2198 31 K 3.7744 8.8767 119.6976 59.9559 32.0707 178.1267 32 S 3.9566 7.9868 112.2978 61.5993 62.4579 175.8809 33 E 4.0185 9.2226 121.6219 59.1650 29.1099 179.0867 34 L 3.9437 8.3180 121.0433 57.8876 42.1271 178.9499 35 K 4.0174 8.0029 119.7099 59.3426 32.0576 178.7180 36 E 3.8746 7.9929 118.6784 59.2264 29.4034 178.7934 37 L 2.7601 7.2777 120.1272 57.9513 42.0491 179.0445 38 L 4.0956 7.9979 118.6345 58.1294 41.3684 179.7764 39 T 3.9269 7.7833 114.3470 66.8815 68.5753 176.7530 40 R 4.2422 8.3971 118.3468 57.8797 30.3480 177.7224 41 E 4.7581 8.5504 116.0319 55.7062 32.7320 175.9578 42 L 4.9194 8.0848 119.4577 52.2535 42.9948 176.1658 43 P 4.3827 0.0000 0.0000 66.0540 31.3953 178.1519 44 S 4.1799 8.0203 114.0752 61.1712 62.8365 175.9290 45 F 4.3167 7.9602 122.3811 61.4389 39.3613 177.1813 46 L 3.8567 8.1275 116.5375 56.9225 42.0275 179.1212 47 G 3.6962 8.0090 106.7651 45.8223 0.0000 172.6664 48 K 4.4145 8.4413 120.9397 55.7103 34.8618 176.4789 49 R 3.8354 8.6737 122.8716 57.6731 27.1722 176.3069 50 T 4.1155 7.4341 113.6519 62.8425 69.6795 175.6193 51 D 4.6122 8.3738 123.9193 53.3981 41.4924 177.1951 52 E 4.1117 8.8542 120.5315 59.2052 29.5171 179.1240 53 A 3.9956 8.1043 120.5461 55.0997 18.5908 179.2379 54 A 3.9059 8.1717 119.0766 55.1746 18.3732 179.8712 55 F 3.9896 7.9565 116.1192 60.7043 38.9519 177.6315 56 Q 3.9729 8.1576 119.1600 59.1131 28.9194 177.9737 57 K 3.8629 8.2699 120.8469 59.5015 32.1559 178.4526 58 L 3.9044 7.9407 120.3827 58.4460 42.2374 178.3952 59 M 3.9957 8.6304 118.5031 58.7511 31.8170 178.1672 60 S 4.0718 8.2319 112.5949 61.6040 62.7417 175.5793 61 N 4.4643 7.9514 117.6998 56.2702 38.3088 176.9720 62 L 4.2586 7.8034 119.3708 56.1794 43.4351 177.8418 63 D 4.8306 7.7612 120.0060 52.8575 38.2739 176.6071 64 S 4.1644 8.1332 117.6641 60.4582 63.7946 175.7646 65 N 4.6442 8.4497 116.3985 51.9496 37.1829 174.9485 66 R 3.9421 7.6778 115.9177 57.6692 28.2876 175.8792 67 D 4.6512 8.2310 114.8528 53.1541 39.3572 176.3656 68 N 4.2942 9.0253 115.7346 54.6094 38.1263 173.1620 69 E 4.9226 7.9724 113.3165 55.0507 34.4557 174.8817 70 V 4.5479 8.8012 122.5428 61.6413 33.2512 175.4419 71 D 5.1900 9.0449 128.8399 52.2800 41.6557 177.2824 72 F 2.9946 8.7237 119.1475 60.8743 39.1916 176.6996 73 Q 3.9059 8.2622 118.9922 59.2662 29.1531 177.8720 74 E 4.0331 9.4391 120.2420 59.2400 29.3712 178.7221 75 Y 4.2024 8.1667 120.0594 60.9687 38.8680 177.8770 76 C 3.6981 7.7821 117.5667 62.6802 28.1373 176.2608 77 V 3.5260 7.5816 119.5267 65.8479 31.0953 177.7237 78 F 4.2719 7.9844 119.9292 61.5018 39.1881 177.1427 79 L 3.3336 7.5101 118.4694 57.5357 41.2336 179.6436 80 S 3.9811 8.2264 115.5338 61.5693 62.7784 175.9757 81 C 3.9220 8.2419 121.7421 62.7562 31.2099 175.7621 82 I 3.5231 7.3901 120.6216 64.2762 36.5770 177.9919 83 A 3.9411 8.0782 121.8513 55.5926 17.9224 179.2153 84 M 3.9448 8.3355 115.9736 59.0898 32.4877 178.5186 85 M 4.2348 7.9212 118.2060 58.8677 32.2243 178.6264 86 C 4.1774 8.1409 116.5973 62.9936 28.4406 175.7881 87 N 4.6303 8.5959 118.8223 56.7520 38.4845 176.7161 88 E 4.0827 8.2172 119.9831 59.0857 29.2187 179.0206 89 F 4.0310 8.1062 120.2649 61.3852 39.5304 176.9610 90 F 4.1664 8.3923 115.7355 59.7802 39.6010 176.1235 91 E 4.4869 8.2344 118.5168 56.4782 28.5668 176.7714 92 G 3.6875 8.6194 105.9295 46.0816 0.0000 173.7093 *93 F 3.6778 7.7695 116.8253 56.7597 35.0899 178.3155 94 P 4.4857 0.0000 0.0000 62.8699 31.3641 177.2564 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 A 8.26 4.24 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 3 C 7.53 4.55 0.00 3.01 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 4 P 0.00 4.22 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 5 L 7.83 4.04 0.00 1.75 1.65 0.91 0.98 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 6 E 8.09 3.99 0.00 2.06 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 2.41 2.37 0.00 7 K 8.44 3.97 0.00 1.82 1.95 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 8 A 8.54 4.00 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 9 L 7.91 3.98 0.00 1.93 1.78 0.94 1.00 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 10 D 8.25 4.36 0.00 2.85 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 11 V 8.06 3.79 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 1.05 0.00 0.00 1.01 0.00 0.00 12 M 8.30 4.27 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 13 V 8.11 4.10 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 1.02 0.00 0.00 1.19 0.00 0.00 14 S 8.67 4.27 0.00 4.00 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 15 T 8.09 4.02 4.53 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 1.50 0.00 0.00 16 F 7.90 3.75 0.00 2.16 3.10 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 17 H 8.13 4.97 0.00 3.35 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.98 3.94 0.00 1.65 1.83 0.00 1.62 0.00 0.00 1.27 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.52 1.16 7.81 19 Y 7.32 4.47 0.00 2.98 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 20 S 7.77 4.16 0.00 3.98 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 21 G 7.40 3.72 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 0.00 0.00 0.00 22 K 7.75 4.06 0.00 2.05 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.32 7.81 23 E 8.47 4.72 0.00 1.80 1.76 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 2.20 2.33 0.00 24 G 8.52 3.57 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 0.00 0.00 0.00 25 D 8.55 4.32 0.00 2.71 2.60 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 0.00 0.00 0.00 26 K 8.39 4.12 0.00 0.79 1.36 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.13 7.81 27 F 8.95 5.32 0.00 3.20 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 28 K 7.77 5.15 0.00 1.71 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.37 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.60 7.81 29 L 9.06 4.80 0.00 1.55 1.53 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.10 4.90 0.00 2.84 3.13 0.00 0.00 6.12 6.48 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 31 K 8.88 3.77 0.00 1.85 1.83 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 32 S 7.99 3.96 0.00 3.86 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 33 E 9.22 4.02 0.00 1.97 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 0.00 2.32 2.59 0.00 34 L 8.32 3.94 0.00 1.72 1.82 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.00 4.02 0.00 1.65 1.68 0.00 0.62 0.00 0.00 1.21 0.00 0.00 2.37 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.15 0.21 7.81 36 E 7.99 3.87 0.00 2.21 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 0.00 2.38 2.32 0.00 37 L 7.28 2.76 0.00 1.21 1.62 1.02 0.59 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 38 L 8.00 4.10 0.00 1.93 1.87 1.07 0.89 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 39 T 7.78 3.93 4.45 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 1.27 0.00 0.00 40 R 8.40 4.24 0.00 1.88 2.11 0.00 3.21 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 41 E 8.55 4.76 0.00 2.04 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 2.32 2.63 0.00 42 L 8.08 4.92 0.00 1.88 1.66 0.83 0.84 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 43 P 0.00 4.38 0.00 2.29 2.48 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 44 S 8.02 4.18 0.00 3.90 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 45 F 7.96 4.32 0.00 3.02 3.30 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 46 L 8.13 3.86 0.00 1.68 1.63 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.01 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 48 K 8.44 4.41 0.00 1.71 1.72 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 49 R 8.67 3.84 0.00 1.94 1.98 0.00 3.22 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 50 T 7.43 4.12 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 1.05 0.00 0.00 51 D 8.37 4.61 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.85 4.11 0.00 2.14 2.03 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 2.38 2.46 0.00 53 A 8.10 4.00 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 54 A 8.17 3.91 1.32 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 55 F 7.96 3.99 0.00 3.36 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 56 Q 8.16 3.97 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 57 K 8.27 3.86 0.00 1.90 1.97 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 58 L 7.94 3.90 0.00 1.89 1.84 1.01 0.94 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 59 M 8.63 4.00 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 60 S 8.23 4.07 0.00 3.96 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 61 N 7.95 4.46 0.00 2.88 2.88 0.00 0.00 7.15 7.40 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 62 L 7.80 4.26 0.00 1.56 1.64 0.13 0.52 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 63 D 7.76 4.83 0.00 2.89 2.62 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 0.00 0.00 0.00 0.00 64 S 8.13 4.16 0.00 4.03 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 65 N 8.45 4.64 0.00 2.89 2.97 0.00 0.00 7.07 7.80 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 66 R 7.68 3.94 0.00 2.00 2.04 0.00 3.16 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 67 D 8.23 4.65 0.00 2.76 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 68 N 9.03 4.29 0.00 2.83 2.96 0.00 0.00 6.82 7.34 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 69 E 7.97 4.92 0.00 1.91 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 2.25 2.41 0.00 70 V 8.80 4.55 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 1.18 0.00 0.00 0.96 0.00 0.00 71 D 9.04 5.19 0.00 2.93 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 72 F 8.72 2.99 0.00 2.50 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 73 Q 8.26 3.91 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 74 E 9.44 4.03 0.00 2.22 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 0.00 2.36 2.53 0.00 75 Y 8.17 4.20 0.00 3.18 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 76 C 7.78 3.70 0.00 2.99 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 77 V 7.58 3.53 2.22 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 1.06 0.00 0.00 0.94 0.00 0.00 78 F 7.98 4.27 0.00 2.98 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 79 L 7.51 3.33 0.00 1.42 1.34 0.46 0.14 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 80 S 8.23 3.98 0.00 3.90 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 81 C 8.24 3.92 0.00 3.12 3.06 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 0.00 0.00 0.00 82 I 7.39 3.52 1.61 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.06 0.74 0.00 0.00 83 A 8.08 3.94 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 84 M 8.34 3.94 0.00 1.96 2.38 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 2.64 2.89 0.00 85 M 7.92 4.23 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 86 C 8.14 4.18 0.00 3.23 3.10 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 87 N 8.60 4.63 0.00 2.96 3.08 0.00 0.00 7.24 7.70 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 88 E 8.22 4.08 0.00 2.30 2.03 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 2.37 2.56 0.00 89 F 8.11 4.03 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.17 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 91 E 8.23 4.49 0.00 2.02 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 2.36 2.54 0.00 92 G 8.62 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 0.00 0.00 0.00 *93 F 7.77 3.68 0.00 2.48 2.19 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 94 P 0.00 4.49 0.00 2.15 2.05 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.