NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2835 8.0433 122.7479 55.0824 43.7096 175.1920 2 Q 4.8653 8.3497 126.0039 52.9923 30.8075 173.5342 3 I 4.6390 9.1543 116.4792 59.2518 42.2937 173.6127 4 F 5.5282 9.1521 121.6156 56.0423 42.0129 175.3168 5 V 4.8334 8.5760 120.9902 60.8024 34.5078 174.5796 6 K 4.5208 9.3211 131.4855 56.8378 32.9581 176.8720 7 T 4.6036 8.7070 120.0053 60.4021 70.7900 175.2291 8 L 4.2089 8.3359 120.1282 57.1524 41.7494 178.3776 9 T 4.0682 7.3492 107.2088 62.4183 69.2080 175.7968 10 G 3.9822 7.8217 110.1176 45.2515 0.0000 173.9594 11 K 4.2879 7.6719 119.4372 56.3668 32.9102 175.4232 12 T 5.1117 8.1736 116.3986 61.9033 70.9458 174.1716 13 I 4.5573 8.5630 119.4391 59.7367 40.8839 174.2922 14 T 5.2982 8.4434 118.5670 61.9111 70.9992 174.0621 15 L 4.7837 8.8041 124.6440 52.8448 45.4373 175.1566 16 E 4.7074 8.7842 124.5839 55.6983 30.3817 175.3770 17 V 4.6456 8.7176 120.1904 59.7795 36.1688 174.3573 18 E 4.6845 8.9291 119.4539 54.1665 32.5340 176.0091 19 P 4.1313 0.0000 0.0000 65.7447 31.4848 177.9669 20 S 4.6423 7.7846 109.7508 57.8399 63.7323 173.9587 21 D 4.4132 7.9066 121.8133 55.1205 41.3498 176.8573 22 T 4.7042 8.1935 112.7686 61.1847 71.2718 175.9799 23 I 3.7168 8.1501 122.0012 64.2949 37.0794 178.3225 24 E 3.9202 8.0173 120.0026 59.5745 28.9477 178.7405 25 N 4.3472 8.3205 116.3810 56.2932 38.5770 177.5774 26 V 3.6097 7.7789 119.6957 65.9925 31.6209 178.3264 27 K 4.2606 8.6783 119.6858 58.5766 31.5957 179.1401 28 A 3.9995 7.7198 120.4902 55.2155 18.7033 179.5285 29 K 4.1096 7.8147 116.1329 59.5132 32.0629 179.7336 30 I 3.7695 7.8817 120.1807 64.2814 36.9333 178.2194 31 Q 4.1982 8.0087 121.9268 58.6087 28.5903 178.1544 32 D 4.3337 7.6637 118.8474 57.3673 41.0405 178.6224 33 K 4.1898 8.0360 117.1317 58.8031 32.2635 176.4374 34 E 4.1453 8.0117 116.3998 57.0532 31.4832 175.8145 *36 I 3.8849 7.5526 121.8167 60.6179 38.7679 173.9987 37 P 5.1752 0.0000 0.0000 61.2805 32.1933 175.7744 38 P 4.2471 0.0000 0.0000 65.9193 31.2894 178.1335 39 D 4.5582 8.0605 114.1707 54.9110 39.7409 176.2655 40 Q 4.7764 8.1292 118.8574 55.2292 30.0878 174.5538 41 Q 4.8764 8.2059 119.9155 54.2191 31.2406 174.4844 42 R 4.6219 9.0503 124.0464 54.4706 33.1494 173.9960 43 L 5.0496 8.5006 125.8248 53.2317 44.0672 175.1638 44 I 4.9178 8.8684 125.2227 59.4730 40.2783 174.6165 45 F 4.9045 8.8953 127.9671 56.3164 42.1681 174.5743 46 A 3.2374 8.8936 131.0614 53.3320 15.5125 177.1762 47 G 3.8993 7.9597 105.2239 45.8181 0.0000 172.9377 48 K 4.5804 7.5414 119.3018 54.1686 34.2885 175.0938 49 Q 4.5445 8.5236 124.3097 55.8877 29.8051 174.7666 50 L 4.2327 8.4579 126.7981 53.4349 43.3257 175.7785 51 E 4.5988 9.1388 123.4045 54.8131 31.2441 177.0001 52 D 4.3946 9.0567 123.9345 57.5863 41.1359 179.2079 53 G 3.6438 7.9982 106.1227 47.7217 0.0000 173.8427 54 R 4.4051 8.0325 119.5327 55.8100 31.5947 175.1418 55 T 5.0388 9.1775 115.8731 61.5886 71.1006 175.8746 56 L 3.9923 8.4675 125.1495 58.2528 42.2249 179.6408 57 S 4.0708 8.1388 112.8608 61.5730 62.2756 176.1573 58 D 4.2287 7.7112 117.9674 57.0417 40.5401 176.9062 59 Y 4.5439 7.9173 114.0066 56.8051 38.0154 174.5833 60 N 4.1879 8.0408 116.7122 54.3661 38.0915 174.2799 61 I 3.6464 7.7077 116.8824 60.6273 37.9248 175.7408 62 Q 4.3802 8.7414 121.6463 54.5083 31.5061 172.9750 63 K 4.0060 8.4243 117.1903 58.1593 32.1699 175.8153 64 E 3.2640 8.6877 123.8914 56.9242 27.8964 174.7177 65 S 4.5317 8.2336 116.2676 59.1648 64.1198 173.2475 66 T 5.1124 8.7701 119.8963 62.0474 70.3832 173.8283 67 L 4.9161 9.2591 126.8114 53.7749 44.4157 174.9413 68 H 5.1033 9.0968 122.9307 54.5492 31.5995 173.3059 69 L 4.7914 8.5789 129.0472 54.4960 42.8319 175.8709 70 V 4.4830 9.1414 126.6620 60.7430 34.5339 174.2250 71 L 4.5582 8.5255 129.2268 54.9547 42.8418 175.8572 72 R 4.4623 9.0272 127.0852 54.6492 32.1146 175.7410 73 L 4.2638 8.4089 125.5251 54.9077 41.8735 176.8822 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 1 L 8.04 4.28 0.00 1.75 1.81 0.84 0.41 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 2 Q 8.35 4.87 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 3 I 9.15 4.64 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.25 0.78 0.00 0.00 4 F 9.15 5.53 0.00 3.07 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 5 V 8.58 4.83 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 0.98 0.00 0.00 0.96 0.00 0.00 6 K 9.32 4.52 0.00 1.76 1.52 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.56 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.30 7.81 7 T 8.71 4.60 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 1.36 0.00 0.00 8 L 8.34 4.21 0.00 1.67 1.78 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.35 4.07 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 1.21 0.00 0.00 10 G 7.82 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 11 K 7.67 4.29 0.00 1.78 1.74 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 12 T 8.17 5.11 4.11 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 1.11 0.00 0.00 13 I 8.56 4.56 1.91 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 1.39 0.95 0.95 0.00 0.00 14 T 8.44 5.30 4.32 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 1.22 0.00 0.00 15 L 8.80 4.78 0.00 1.66 1.48 0.93 0.63 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 16 E 8.78 4.71 0.00 1.93 1.84 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 2.24 2.37 0.00 17 V 8.72 4.65 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 0.71 0.00 0.00 0.89 0.00 0.00 18 E 8.93 4.68 0.00 2.01 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 2.19 2.23 0.00 19 P 0.00 4.13 0.00 2.15 2.12 0.00 3.55 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 2.11 2.13 0.00 20 S 7.78 4.64 0.00 3.83 3.87 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 21 D 7.91 4.41 0.00 2.87 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 22 T 8.19 4.70 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 1.27 0.00 0.00 23 I 8.15 3.72 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.12 0.89 0.00 0.00 24 E 8.02 3.92 0.00 2.18 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 2.31 2.41 0.00 25 N 8.32 4.35 0.00 2.95 2.85 0.00 0.00 6.71 7.25 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 26 V 7.78 3.61 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.68 4.26 0.00 1.97 1.84 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.45 7.81 28 A 7.72 4.00 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 29 K 7.81 4.11 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 30 I 7.88 3.77 2.13 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 1.42 0.84 0.97 0.00 0.00 31 Q 8.01 4.20 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.66 4.33 0.00 2.87 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 33 K 8.04 4.19 0.00 1.74 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.53 7.81 34 E 8.01 4.15 0.00 2.02 1.79 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 2.26 2.40 0.00 *36 I 7.55 3.88 1.88 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 1.42 1.15 0.92 0.00 0.00 37 P 0.00 5.18 0.00 2.18 2.02 0.00 3.89 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 2.11 2.07 0.00 38 P 0.00 4.25 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.06 4.56 0.00 2.78 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 40 Q 8.13 4.78 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 41 Q 8.21 4.88 0.00 2.12 2.00 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 2.30 2.52 0.00 42 R 9.05 4.62 0.00 1.81 1.87 0.00 3.05 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 43 L 8.50 5.05 0.00 1.58 1.53 0.90 0.83 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 44 I 8.87 4.92 1.89 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 1.09 1.07 0.96 0.00 0.00 45 F 8.90 4.90 0.00 2.94 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 46 A 8.89 3.24 0.74 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 0.00 0.00 47 G 7.96 3.90 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 0.00 0.00 0.00 48 K 7.54 4.58 0.00 2.01 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.56 7.81 49 Q 8.52 4.54 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.46 4.23 0.00 1.46 1.26 0.74 -0.15 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 51 E 9.14 4.60 0.00 2.03 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 2.36 2.50 0.00 52 D 9.06 4.39 0.00 2.75 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 53 G 8.00 3.64 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 0.00 0.00 0.00 54 R 8.03 4.41 0.00 2.27 1.90 0.00 3.11 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 55 T 9.18 5.04 4.60 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 1.26 0.00 0.00 56 L 8.47 3.99 0.00 1.90 1.67 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.07 0.00 4.05 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 58 D 7.71 4.23 0.00 2.42 2.37 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 59 Y 7.92 4.54 0.00 2.83 2.97 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 60 N 8.04 4.19 0.00 2.84 2.94 0.00 0.00 7.11 7.50 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 61 I 7.71 3.65 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.23 0.60 0.00 0.00 62 Q 8.74 4.38 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 63 K 8.42 4.01 0.00 1.70 1.78 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.47 7.81 64 E 8.69 3.26 0.00 2.22 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 0.00 2.20 2.22 0.00 65 S 8.23 4.53 0.00 3.76 3.93 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 66 T 8.77 5.11 4.36 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 1.30 0.00 0.00 67 L 9.26 4.92 0.00 1.59 1.62 0.86 0.76 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 68 H 9.10 5.10 0.00 3.21 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.58 4.79 0.00 1.73 1.77 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.14 4.48 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 0.92 0.00 0.00 0.85 0.00 0.00 71 L 8.53 4.56 0.00 1.68 1.55 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.03 4.46 0.00 1.87 1.77 0.00 3.13 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 73 L 8.41 4.26 0.00 1.67 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.