NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.2830 8.2601 123.5898 51.6754 19.9192 176.3208 41 A 4.2337 8.3237 122.4630 50.6209 19.1103 175.1813 42 P 4.5064 0.0000 0.0000 62.2529 32.9180 175.0356 43 E 4.2850 8.4477 119.4667 56.1899 29.9858 177.1967 44 S 4.8114 8.3973 116.1185 58.8696 64.1900 172.8665 45 F 5.0660 8.5854 114.3802 56.1849 41.6327 173.1195 46 D 5.0785 8.7058 119.1973 53.7124 43.6100 173.8465 47 E 4.7886 9.3457 123.3366 55.5076 33.9546 173.8884 48 V 4.7055 8.3505 120.1237 61.5927 32.7902 174.2395 49 Y 4.6096 9.2526 129.6546 56.6407 40.8556 175.5433 50 K 3.5377 9.2414 128.0368 57.5119 29.6296 176.1005 51 G 3.9761 8.2939 104.0348 45.5535 0.0000 173.6313 52 R 4.7601 7.8582 118.6054 53.9470 33.5372 174.4872 53 R 4.8191 8.9950 122.3843 55.9404 31.3712 175.0180 54 I 5.2099 9.0464 120.5782 59.3483 40.4650 174.6264 55 Q 4.7273 9.1457 123.5828 54.0612 33.2245 174.4500 56 G 4.0913 7.6526 108.3467 44.6334 0.0000 171.5650 57 R 4.8059 7.5674 117.1584 53.6663 32.9995 172.7239 58 P 4.8057 0.0000 0.0000 61.9239 32.3048 176.5122 59 A 4.6248 8.6813 121.8183 52.8332 20.3716 179.7338 *66 H 4.7447 9.0992 116.3677 57.6078 30.4530 172.4658 67 E 4.7922 7.8832 115.2162 54.2906 32.5627 174.4600 68 H 4.7027 8.8308 115.8175 54.1865 31.4080 175.7741 69 G 3.3540 9.0401 105.8647 47.5806 0.0000 171.9891 70 G 3.8283 9.3327 119.0208 45.4005 0.0000 173.3136 71 G 4.2919 8.5923 112.7414 45.7282 0.0000 171.3596 72 Y 5.2934 8.0214 119.7485 55.8659 42.1148 173.6585 73 E 4.7188 8.7346 125.3467 54.4370 33.2025 175.0965 74 V 4.8064 7.9382 122.0039 61.1095 35.3671 174.0524 75 F 5.3190 9.3788 124.5229 55.6416 43.4907 174.0768 76 V 4.7213 8.9327 122.1250 61.3660 33.8816 175.4767 77 D 4.5607 10.2045 130.8723 55.5330 38.8960 175.0747 78 G 3.8912 8.4384 104.0590 45.5126 0.0000 173.4029 79 V 4.4196 7.6549 120.3799 60.4950 33.0078 174.8882 80 Q 4.0391 8.9232 128.6106 56.0431 29.5288 174.5386 81 L 4.6002 8.4645 127.8691 53.1978 43.6939 175.4350 82 H 3.8051 8.4796 126.9080 56.6277 30.6054 174.3031 83 V 4.9972 8.0322 117.5339 60.1178 35.8789 174.6269 84 M 4.7966 9.0473 120.7767 53.8754 36.7551 173.9160 85 R 3.6368 7.9599 121.5962 54.4613 31.8144 175.4043 86 N 4.6622 8.6119 123.2916 51.6819 40.2936 175.9795 87 A 3.9142 8.6492 123.8288 55.4728 18.3895 178.4429 88 D 4.5192 7.8735 112.1825 53.6013 39.7529 177.1361 89 G 3.8763 8.2688 110.1822 45.2388 0.0000 174.0914 90 S 4.7231 8.1274 114.8101 57.7991 65.0221 173.0318 91 W 5.4024 9.4677 119.2655 54.9189 33.2112 174.7104 92 I 5.1646 8.8147 115.0599 59.4680 41.5397 173.4840 93 S 5.4255 8.2727 116.1114 56.1664 66.4017 175.1705 94 V 3.8641 8.6058 118.8420 63.9680 31.1744 177.3687 95 V 4.1907 7.6639 112.6459 61.4153 32.2264 176.3345 96 S 4.6284 7.8346 114.0916 57.4142 62.6143 173.4296 97 H 4.4721 7.7530 117.7371 56.1746 30.0557 175.7803 *99 D 4.4009 7.6712 117.7264 53.3777 41.2919 171.5893 100 P 4.6248 0.0000 0.0000 61.9839 32.5293 176.3951 101 V 4.6077 8.5799 115.4695 58.5808 35.0792 175.2436 102 P 4.6498 0.0000 0.0000 65.4160 31.7080 176.8084 103 T 4.5606 7.3764 108.2866 58.3033 73.0538 172.7141 104 P 3.6499 0.0000 0.0000 65.6577 31.0846 178.6293 105 R 2.9402 7.2390 117.7913 58.7088 29.7813 178.1589 106 A 3.7866 7.9330 120.6890 54.9441 18.3008 179.5084 107 A 3.9167 7.8867 119.1778 55.0274 18.3697 179.7553 108 A 3.9603 8.2077 119.8069 55.3878 18.4493 180.0927 109 R 3.3056 8.0825 116.7593 59.1800 29.9733 179.1866 110 A 3.9821 8.3014 120.7029 54.9758 18.2764 179.6159 111 A 3.9425 8.1121 119.5232 55.2371 18.0251 179.8789 112 V 3.6349 8.0676 116.9192 66.4544 31.3881 177.9863 113 D 4.4974 8.2667 117.4872 57.4269 40.7322 178.1181 114 E 4.1059 8.1568 119.0187 59.2309 29.8732 178.5736 115 L 4.1210 8.2543 118.8476 55.2510 41.9411 176.9920 116 Q 3.3965 8.8374 115.7280 56.8404 26.7457 174.8616 117 G 3.9362 8.4082 104.7813 45.1152 0.0000 174.1053 118 A 4.1361 7.7292 123.4992 51.0697 18.8946 175.8091 119 P 4.3436 0.0000 0.0000 62.4764 32.0212 176.2760 120 L 4.2099 8.3541 124.0945 54.8701 42.8163 175.9716 121 L 4.5562 8.2099 124.5364 52.6196 42.9608 174.9931 122 P 4.4093 0.0000 0.0000 62.9782 31.9347 176.3147 123 F 4.4805 8.8809 115.2064 57.1959 38.0727 175.3680 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 40 A 8.26 4.28 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 41 A 8.32 4.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 1.66 1.83 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.16 0.00 43 E 8.45 4.29 0.00 2.03 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 2.28 0.00 44 S 8.40 4.81 0.00 3.92 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 45 F 8.59 5.07 0.00 3.12 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 46 D 8.71 5.08 0.00 2.63 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 47 E 9.35 4.79 0.00 2.14 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 2.38 2.41 0.00 48 V 8.35 4.71 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 0.81 0.00 0.00 0.97 0.00 0.00 49 Y 9.25 4.61 0.00 3.24 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 50 K 9.24 3.54 0.00 1.59 1.63 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.91 0.21 7.81 51 G 8.29 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 52 R 7.86 4.76 0.00 1.93 1.98 0.00 3.16 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 53 R 8.99 4.82 0.00 1.94 1.84 0.00 3.05 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 54 I 9.05 5.21 2.15 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 1.42 0.97 1.05 0.00 0.00 55 Q 9.15 4.73 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 56 G 7.65 4.09 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 0.00 0.00 0.00 57 R 7.57 4.81 0.00 1.67 1.79 0.00 2.72 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 58 P 0.00 4.81 0.00 2.14 2.22 0.00 3.60 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 1.95 2.00 0.00 59 A 8.68 4.62 1.03 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 *66 H 9.10 4.74 0.00 3.23 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.88 4.79 0.00 2.09 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 2.65 2.59 0.00 68 H 8.83 4.70 0.00 3.33 3.41 0.00 5.56 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 69 G 9.04 3.35 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 0.00 70 G 9.33 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 71 G 8.59 4.29 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 0.00 72 Y 8.02 5.29 0.00 3.17 2.99 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 73 E 8.73 4.72 0.00 1.77 1.44 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 2.29 2.17 0.00 74 V 7.94 4.81 2.05 0.00 0.00 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 1.10 0.00 0.00 75 F 9.38 5.32 0.00 2.92 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 76 V 8.93 4.72 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 1.07 0.00 0.00 1.01 0.00 0.00 77 D 10.20 4.56 0.00 2.79 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 78 G 8.44 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 0.00 0.00 0.00 79 V 7.65 4.42 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 1.15 0.00 0.00 1.06 0.00 0.00 80 Q 8.92 4.04 0.00 2.17 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.27 1.72 0.00 81 L 8.46 4.60 0.00 1.61 1.61 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.48 3.81 0.00 2.51 2.90 0.00 5.86 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.03 5.00 2.32 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 0.85 0.00 0.00 1.08 0.00 0.00 84 M 9.05 4.80 0.00 1.72 1.71 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 2.03 1.86 0.00 85 R 7.96 3.64 0.00 0.67 1.14 0.00 2.93 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 86 N 8.61 4.66 0.00 2.61 2.58 0.00 0.00 6.61 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 87 A 8.65 3.91 1.23 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 0.00 0.00 0.00 88 D 7.87 4.52 0.00 2.76 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 89 G 8.27 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 90 S 8.13 4.72 0.00 4.05 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 91 W 9.47 5.40 0.00 3.24 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 92 I 8.81 5.16 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.90 0.00 0.00 93 S 8.27 5.43 0.00 4.02 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 94 V 8.61 3.86 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 0.71 0.00 0.00 0.91 0.00 0.00 95 V 7.66 4.19 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 0.70 0.00 0.00 0.96 0.00 0.00 96 S 7.83 4.63 0.00 3.80 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 97 H 7.75 4.47 0.00 3.16 3.23 0.00 5.81 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 D 7.67 4.40 0.00 2.71 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 0.00 100 P 0.00 4.62 0.00 2.06 1.94 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 101 V 8.58 4.61 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 0.74 0.00 0.00 0.98 0.00 0.00 102 P 0.00 4.65 0.00 2.17 2.19 0.00 3.71 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 1.94 1.93 0.00 103 T 7.38 4.56 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 1.12 0.00 0.00 104 P 0.00 3.65 0.00 1.94 1.04 0.00 3.07 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.44 0.00 105 R 7.24 2.94 0.00 0.67 1.32 0.00 2.88 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.00 106 A 7.93 3.79 1.25 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 0.00 0.00 107 A 7.89 3.92 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 0.00 108 A 8.21 3.96 1.48 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 0.00 0.00 109 R 8.08 3.31 0.00 1.56 1.05 0.00 2.75 0.00 0.00 2.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 110 A 8.30 3.98 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 0.00 111 A 8.11 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.63 2.55 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 1.23 0.00 0.00 1.12 0.00 0.00 113 D 8.27 4.50 0.00 2.92 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 0.00 114 E 8.16 4.11 0.00 2.17 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 0.00 2.34 2.70 0.00 115 L 8.25 4.12 0.00 1.96 1.88 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.84 3.40 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 117 G 8.41 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.73 4.14 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 0.00 119 P 0.00 4.34 0.00 2.08 2.03 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 120 L 8.35 4.21 0.00 1.64 1.63 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.21 4.56 0.00 1.72 1.61 0.94 1.06 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 0.00 122 P 0.00 4.41 0.00 2.00 1.96 0.00 3.69 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 2.04 2.12 0.00 123 F 8.88 4.48 0.00 3.14 2.96 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 * Residues marked with a * may have inaccurate shift predictions.