NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 78 S 4.3616 8.1927 115.2855 58.6682 63.1882 174.2106 79 R 4.0336 8.3276 121.3806 56.1263 30.2007 177.3830 80 A 3.7373 7.8097 121.4984 54.4815 18.8480 179.5246 81 L 3.5169 7.8138 118.1891 58.5808 41.9169 179.1078 82 A 3.9876 7.9392 120.0188 54.4692 18.1662 179.2720 83 L 3.7797 7.8542 119.8397 57.5782 41.8782 178.2384 84 F 4.9724 7.0434 114.8786 57.8964 40.0848 177.6105 85 E 4.1633 7.8862 118.6323 59.4060 29.6537 178.6214 86 E 4.0221 7.8687 118.5578 59.1576 28.9489 179.1480 87 L 3.9812 7.6520 119.1305 57.8318 42.0913 178.8596 88 V 3.7432 7.7263 117.7700 64.0942 31.2940 176.8249 89 E 4.6367 8.0403 113.7764 56.7329 31.4882 177.1585 90 T 4.1853 7.8981 115.6943 66.0282 69.0805 175.1933 91 D 4.9217 7.4660 119.3030 52.8452 42.9750 173.1181 92 P 5.2744 0.0000 0.0000 65.0803 32.1281 178.1712 93 D 4.6915 8.1614 115.5838 53.7292 38.8184 175.0858 94 Y 4.3880 8.2500 122.4291 56.7738 39.6168 176.3082 95 V 3.9340 8.6098 128.2934 65.7653 32.0086 177.9941 96 G 3.9964 8.5525 108.4798 49.1664 0.0000 175.1923 97 T 3.7210 7.6983 113.2943 66.8558 68.6671 175.4750 98 Y 4.2242 8.4955 116.6781 59.3968 37.9777 176.0784 99 Y 4.2419 7.6407 120.1802 59.7352 39.7589 176.7675 100 H 4.2008 7.6051 113.7570 59.0674 28.9183 177.6083 101 L 4.0278 7.7589 121.4717 57.9928 41.6606 179.0027 102 G 3.6531 7.8916 105.0242 47.3709 0.0000 175.0594 103 K 4.1245 7.8775 119.6242 57.6806 31.9958 179.0038 104 L 3.9702 7.1337 120.5548 58.6024 42.3441 177.8262 105 Y 4.4739 7.7949 116.5140 61.1580 37.8963 178.4876 106 E 3.9218 8.1628 117.8947 59.9114 29.5807 180.0311 107 R 4.0027 7.5171 115.6250 58.8189 30.1856 177.3283 108 L 4.5096 8.2777 118.0022 54.3322 41.9307 177.9780 109 D 4.5292 7.8342 117.1172 54.5389 39.4126 174.1980 110 R 4.3086 7.6451 121.1279 55.2810 29.6995 175.9148 111 T 4.3005 8.0883 116.7996 63.4257 69.5441 176.3552 112 D 4.3357 7.8329 121.1934 57.3070 40.9765 178.2117 113 D 4.0936 7.8848 118.4712 56.7343 40.7733 178.5137 114 A 4.4574 7.2356 121.8380 55.8235 18.1741 178.7747 115 I 3.6261 7.5345 116.5612 64.5791 36.5525 177.5882 116 D 4.6085 8.0360 118.7489 58.1709 41.0465 179.5280 117 T 4.1789 8.0729 115.2298 66.1571 67.2798 175.9870 *118 Y 5.2630 8.1842 120.2739 58.7952 37.1793 177.5151 119 A 4.8635 7.8909 123.2251 53.5932 21.0866 178.8522 120 Q 5.2788 7.2162 111.9633 56.2621 28.0936 178.1485 121 G 3.4995 7.8449 109.4031 47.4797 0.0000 176.2724 122 I 3.7875 7.6297 121.8542 64.3562 37.0395 178.2850 123 E 3.9481 8.1792 119.0942 58.7523 29.1674 178.9797 124 V 3.3914 7.0962 116.6755 62.8411 32.4997 177.9380 125 A 4.0535 8.9771 122.2918 54.4973 18.1387 179.3078 126 R 3.8445 7.8272 116.8295 60.2385 30.1067 177.2991 127 E 4.1208 8.1264 117.7327 57.3052 29.5353 177.0936 128 E 4.3916 8.4301 124.4891 58.0250 30.9462 176.6987 129 G 4.0050 7.8485 108.5872 44.4801 0.0000 172.6720 130 T 4.6905 7.8457 111.6808 59.2766 72.1160 175.2945 131 Q 3.8892 8.4477 121.1988 59.1328 28.5206 179.0311 132 K 3.8839 7.8437 118.6477 59.2718 31.9538 176.8235 133 D 4.9681 7.6777 118.7597 54.5059 41.9234 178.1019 134 L 3.8905 8.2227 121.4391 58.7290 42.0413 178.2899 135 S 4.1237 8.3405 114.8691 61.3000 62.5400 176.2566 136 E 3.9058 8.0492 119.2929 60.1483 29.2600 179.6185 137 L 4.3263 7.5940 119.3386 57.5041 41.7593 179.4601 138 Q 4.0108 7.9044 117.6863 58.9698 28.7487 178.0335 139 D 4.4209 8.2237 119.7633 57.6599 40.7400 178.7442 140 A 4.0138 8.2054 121.1922 54.8714 18.1016 179.2691 141 K 3.7243 8.4879 117.7212 59.5738 31.9482 178.7067 142 L 4.0464 7.6785 119.3179 57.6449 42.3468 178.3288 143 K 3.9740 7.8717 117.8988 59.7672 32.0101 177.5117 144 A 4.0923 8.2602 121.6534 53.8690 18.3175 177.0527 145 E 4.0678 8.0834 120.5663 56.6669 29.6855 177.6233 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 78 S 8.19 4.36 0.00 3.85 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 79 R 8.33 4.03 0.00 1.89 1.81 0.00 3.34 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 1.60 1.59 0.00 80 A 7.81 3.74 1.16 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 0.00 0.00 81 L 7.81 3.52 0.00 1.68 1.64 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.94 3.99 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 83 L 7.85 3.78 0.00 1.37 0.78 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.04 4.97 0.00 2.90 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 85 E 7.89 4.16 0.00 1.99 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 2.42 2.62 0.00 86 E 7.87 4.02 0.00 2.12 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 2.32 2.44 0.00 87 L 7.65 3.98 0.00 1.90 1.75 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.73 3.74 2.28 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 1.02 0.00 0.00 0.46 0.00 0.00 89 E 8.04 4.64 0.00 2.10 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 0.00 2.30 2.30 0.00 90 T 7.90 4.19 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 1.23 0.00 0.00 91 D 7.47 4.92 0.00 2.72 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 92 P 0.00 5.27 0.00 2.30 2.30 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 93 D 8.16 4.69 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.39 0.00 3.32 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 95 V 8.61 3.93 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 0.99 0.00 0.00 0.94 0.00 0.00 96 G 8.55 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 97 T 7.70 3.72 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 0.93 0.00 0.00 98 Y 8.50 4.22 0.00 3.26 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 99 Y 7.64 4.24 0.00 2.90 2.65 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 0.00 0.00 0.00 0.00 100 H 7.61 4.20 0.00 3.01 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.76 4.03 0.00 1.98 1.57 0.37 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.89 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.88 4.12 0.00 1.53 1.72 0.00 1.59 0.00 0.00 1.29 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.50 0.70 7.81 104 L 7.13 3.97 0.00 1.70 1.62 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.79 4.47 0.00 3.22 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 0.00 106 E 8.16 3.92 0.00 2.05 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 2.37 2.63 0.00 107 R 7.52 4.00 0.00 1.86 2.25 0.00 3.27 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 108 L 8.28 4.51 0.00 1.89 1.70 0.95 1.12 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 0.00 109 D 7.83 4.53 0.00 2.88 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 0.00 110 R 7.65 4.31 0.00 1.70 1.62 0.00 2.22 0.00 0.00 2.85 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 111 T 8.09 4.30 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 1.22 0.00 0.00 112 D 7.83 4.34 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 0.00 113 D 7.88 4.09 0.00 2.35 2.40 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 0.00 0.00 0.00 0.00 114 A 7.24 4.46 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.53 3.63 1.89 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 1.53 0.83 0.93 0.00 0.00 116 D 8.04 4.61 0.00 2.57 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 0.00 117 T 8.07 4.18 4.49 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 1.54 0.00 0.00 *118 Y 8.18 5.26 0.00 2.44 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 0.00 0.00 0.00 119 A 7.89 4.86 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 0.00 120 Q 7.22 5.28 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 121 G 7.84 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.63 3.79 1.85 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 1.53 1.11 0.90 0.00 0.00 123 E 8.18 3.95 0.00 2.10 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 2.37 2.40 0.00 124 V 7.10 3.39 1.77 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 0.69 0.00 0.00 0.87 0.00 0.00 125 A 8.98 4.05 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 0.00 126 R 7.83 3.84 0.00 1.80 2.13 0.00 3.23 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 127 E 8.13 4.12 0.00 2.03 1.78 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 2.27 2.43 0.00 128 E 8.43 4.39 0.00 1.86 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 2.27 2.42 0.00 129 G 7.85 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 0.00 0.00 0.00 0.00 130 T 7.85 4.69 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 1.27 0.00 0.00 131 Q 8.45 3.89 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 132 K 7.84 3.88 0.00 1.72 1.86 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.56 7.81 133 D 7.68 4.97 0.00 2.87 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 0.00 134 L 8.22 3.89 0.00 1.85 1.97 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.34 4.12 0.00 3.90 3.81 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 0.00 136 E 8.05 3.91 0.00 1.95 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 0.00 2.45 2.22 0.00 137 L 7.59 4.33 0.00 1.76 1.81 0.97 1.28 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 0.00 138 Q 7.90 4.01 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 139 D 8.22 4.42 0.00 2.98 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 0.00 140 A 8.21 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.49 3.72 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 142 L 7.68 4.05 0.00 1.71 1.87 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.87 3.97 0.00 2.09 2.02 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 144 A 8.26 4.09 1.39 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 0.00 0.00 145 E 8.08 4.07 0.00 1.99 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 2.36 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.