NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3083 8.1227 123.5843 52.2164 19.4859 177.0292 2 D 4.4371 8.5306 121.9650 55.9260 41.3822 176.5546 3 T 4.0486 7.9565 116.3611 67.0581 68.9734 175.6058 4 L 3.9840 7.8207 121.7481 58.3044 42.2193 178.4601 5 E 3.9479 8.0293 118.4112 59.7578 29.4148 179.5842 6 R 4.1195 8.1208 117.6363 58.6266 30.2835 179.1608 7 V 3.9680 8.1893 118.6895 66.1746 31.4909 178.2930 8 T 3.9388 8.7499 116.0482 66.4659 68.0914 176.5143 9 K 3.8977 7.7199 120.0665 59.7399 32.2893 178.5630 10 I 3.9029 7.4982 118.5938 64.4489 36.8947 178.5105 11 I 3.8920 7.8143 120.5490 63.7576 36.6665 177.5374 12 V 4.2011 7.8574 117.4659 63.0294 31.3895 175.7999 13 D 4.8624 7.8984 114.9679 53.6327 42.8804 176.3543 14 R 4.5112 8.1047 115.9486 55.9988 31.8768 176.6039 15 L 4.5005 7.7141 116.0004 53.6571 43.6050 177.9459 16 G 3.9452 8.3109 105.2838 45.2172 0.0000 173.5393 17 V 3.7960 7.5985 111.8886 61.2657 33.4799 175.7025 18 D 4.3323 8.9950 124.2183 55.8826 38.8524 176.3658 19 E 4.7814 9.1348 127.7276 58.0235 37.4300 175.5868 20 A 4.2824 8.0491 121.6604 54.9351 18.7855 178.3672 21 D 4.4175 8.1971 115.0628 57.4947 40.8880 177.5588 22 V 3.7278 8.0275 123.1863 62.7919 29.4688 175.8311 23 K 4.5045 7.8378 127.9787 52.0182 34.3508 176.4088 24 L 3.9852 8.2621 117.5819 59.3357 42.0802 177.7097 25 E 4.3732 7.9665 115.1072 55.8762 29.8536 175.7252 26 A 4.0266 7.3349 123.8176 51.8867 19.2426 177.6686 27 S 4.4872 8.7945 118.1552 57.5043 63.6350 175.1897 28 F 4.3340 8.5418 126.3955 60.8116 39.3145 178.1064 29 K 4.1981 8.2754 119.4576 59.5360 32.3534 179.2173 30 E 4.0350 8.0659 116.6923 58.8949 29.5851 177.7964 31 D 4.6477 8.0228 116.4552 55.1235 41.8523 177.1502 32 L 4.3543 7.8275 116.7608 53.7018 43.2204 176.2875 33 G 4.2611 8.0331 105.8927 45.8372 0.0000 173.3358 34 A 4.9365 8.0865 120.1021 50.2124 22.8639 174.4481 35 D 4.1889 8.9881 122.5010 54.4154 38.6213 178.1741 *37 L 4.1571 9.0624 119.2052 54.7961 44.7740 177.1461 38 D 4.3435 9.1207 118.8685 57.3464 40.6161 179.0321 39 V 3.4217 8.3593 119.9551 65.2691 31.1615 178.9302 40 V 3.5474 7.6390 112.6787 63.6182 31.4280 178.0489 41 E 3.9568 8.1722 119.3515 58.7574 29.5008 178.6670 42 L 3.8344 8.1081 120.9596 58.2087 42.2238 179.2168 43 V 3.5854 7.9228 118.3428 66.1068 31.3835 177.8175 44 M 4.1448 7.9870 118.6579 57.9420 31.8055 178.2492 45 E 3.9699 8.1938 119.7577 59.1516 29.8104 178.8788 46 L 4.2604 7.9214 118.7552 57.6336 41.8126 179.1275 47 E 4.0643 8.1900 118.7737 60.0395 29.4235 178.2935 48 D 4.3510 8.3145 118.3434 56.3253 40.9866 177.4088 49 E 3.5812 8.4728 121.9980 59.4121 29.7482 178.5014 50 F 4.5762 7.9260 113.9021 56.5960 39.7172 175.5998 51 D 4.4631 7.9102 119.5290 55.2522 39.3772 170.9888 52 M 4.8385 8.2630 115.3614 53.7272 34.8175 174.5279 53 E 4.6742 8.8224 117.5573 55.0691 31.7292 175.5960 54 I 4.3277 8.5879 126.1948 59.2013 38.1802 176.5846 55 S 4.4171 8.4857 121.0369 57.9221 64.8583 174.5882 56 D 4.3440 8.4860 121.6591 57.3538 40.7160 178.4399 57 E 4.2699 7.9401 120.7041 58.4799 29.8194 177.9003 58 D 4.3004 7.9900 118.8443 57.6999 39.3929 179.0955 59 A 3.8989 7.8575 120.7290 54.5835 18.0726 178.5809 60 E 3.6784 8.0603 114.6689 57.4035 29.7836 178.2054 61 K 4.1921 7.7488 121.2017 58.3039 33.2032 177.5431 62 I 4.1120 6.8135 111.9819 60.3151 35.0997 175.2076 63 A 4.1918 8.4317 132.2427 55.7666 18.7754 177.5439 64 T 4.6805 7.4256 104.2726 59.3748 71.7596 174.3465 65 V 3.4579 7.6404 119.4522 66.3404 31.3465 178.3761 66 G 3.8939 8.4436 105.7302 48.2970 0.0000 175.0463 67 D 4.3769 7.6614 120.8295 57.1323 40.8608 178.8242 68 A 4.1014 7.7671 120.9057 55.0318 18.2346 179.8368 69 V 3.4564 8.0283 116.8695 66.3119 31.4091 178.0245 70 N 4.3298 8.1226 115.0322 56.5403 38.4228 176.4948 71 Y 4.1497 7.9758 120.1231 60.5918 38.9726 177.5632 72 I 3.7133 7.7633 120.0043 63.4372 37.1506 176.5954 73 Q 4.2379 7.4438 122.9052 55.8947 28.8994 175.2816 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 A 8.12 4.31 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.53 4.44 0.00 2.91 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 3 T 7.96 4.05 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 1.04 0.00 0.00 4 L 7.82 3.98 0.00 1.77 1.87 0.93 0.98 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 5 E 8.03 3.95 0.00 2.17 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 2.36 2.43 0.00 6 R 8.12 4.12 0.00 2.35 1.92 0.00 3.10 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 7 V 8.19 3.97 2.41 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 1.17 0.00 0.00 1.17 0.00 0.00 8 T 8.75 3.94 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 9 K 7.72 3.90 0.00 1.76 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 10 I 7.50 3.90 2.10 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.76 0.98 0.00 0.00 11 I 7.81 3.89 2.08 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.99 1.03 0.00 0.00 12 V 7.86 4.20 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 0.97 0.00 0.00 1.03 0.00 0.00 13 D 7.90 4.86 0.00 2.61 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 14 R 8.10 4.51 0.00 1.78 1.95 0.00 3.65 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 15 L 7.71 4.50 0.00 1.85 1.72 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.31 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 0.00 0.00 0.00 17 V 7.60 3.80 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 0.76 0.00 0.00 0.96 0.00 0.00 18 D 8.99 4.33 0.00 2.91 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 19 E 9.13 4.78 0.00 1.96 1.82 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 2.29 2.31 0.00 20 A 8.05 4.28 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 21 D 8.20 4.42 0.00 2.66 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 22 V 8.03 3.73 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 0.71 0.00 0.00 0.96 0.00 0.00 23 K 7.84 4.50 0.00 1.71 1.68 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 0.97 7.81 24 L 8.26 3.99 0.00 1.69 1.65 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.97 4.37 0.00 1.95 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 2.23 2.26 0.00 26 A 7.33 4.03 1.21 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 0.00 0.00 0.00 0.00 0.00 27 S 8.79 4.49 0.00 3.85 3.80 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 0.00 0.00 0.00 0.00 28 F 8.54 4.33 0.00 3.22 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 29 K 8.28 4.20 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.59 7.81 30 E 8.07 4.03 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 31 D 8.02 4.65 0.00 2.84 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 32 L 7.83 4.35 0.00 2.04 1.80 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.03 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 0.00 0.00 0.00 0.00 34 A 8.09 4.94 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 35 D 8.99 4.19 0.00 2.90 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 *37 L 9.06 4.16 0.00 1.68 1.87 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 D 9.12 4.34 0.00 3.05 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 39 V 8.36 3.42 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 0.88 0.00 0.00 0.77 0.00 0.00 40 V 7.64 3.55 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 0.95 0.00 0.00 41 E 8.17 3.96 0.00 2.03 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 2.28 2.29 0.00 42 L 8.11 3.83 0.00 1.94 1.46 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.92 3.59 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 0.93 0.00 0.00 0.78 0.00 0.00 44 M 7.99 4.14 0.00 2.11 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 2.80 2.53 0.00 45 E 8.19 3.97 0.00 2.21 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 2.29 2.32 0.00 46 L 7.92 4.26 0.00 2.01 1.94 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.19 4.06 0.00 2.28 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 2.38 2.61 0.00 48 D 8.31 4.35 0.00 3.02 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 49 E 8.47 3.58 0.00 1.69 1.40 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 1.60 1.47 0.00 50 F 7.93 4.58 0.00 3.18 3.05 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 0.00 0.00 0.00 51 D 7.91 4.46 0.00 2.76 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 52 M 8.26 4.84 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 53 E 8.82 4.67 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 2.22 2.31 0.00 54 I 8.59 4.33 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.65 0.00 0.00 55 S 8.49 4.42 0.00 4.05 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 0.00 56 D 8.49 4.34 0.00 2.65 2.76 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 0.00 0.00 0.00 57 E 7.94 4.27 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 2.37 2.43 0.00 58 D 7.99 4.30 0.00 3.01 2.44 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 0.00 0.00 0.00 59 A 7.86 3.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.68 0.00 2.21 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 2.52 2.29 0.00 61 K 7.75 4.19 0.00 1.72 1.97 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.37 7.81 62 I 6.81 4.11 1.97 0.00 0.00 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 1.29 0.75 0.72 0.00 0.00 63 A 8.43 4.19 1.40 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 0.00 0.00 64 T 7.43 4.68 4.21 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 0.00 0.00 1.15 0.00 0.00 65 V 7.64 3.46 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 0.97 0.00 0.00 0.70 0.00 0.00 66 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 67 D 7.66 4.38 0.00 2.96 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 A 7.77 4.10 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.03 3.46 2.25 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 0.99 0.00 0.00 0.99 0.00 0.00 70 N 8.12 4.33 0.00 2.95 2.89 0.00 0.00 7.05 7.00 0.00 0.00 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 Y 7.98 4.15 0.00 2.98 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 72 I 7.76 3.71 1.69 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.03 0.00 0.00 73 Q 7.44 4.24 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.