NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5423 8.3493 119.5463 53.2311 41.0277 177.4214 4 H 4.3399 8.8794 109.7764 54.9628 30.4364 170.0469 5 V 4.4220 8.4251 119.9730 61.3905 35.6019 174.7524 6 Y 5.1363 8.7855 124.0546 56.0472 41.1975 174.6927 7 K 4.4783 8.2640 122.9598 54.5358 35.4304 174.7459 8 I 4.7775 8.1904 126.2346 59.6605 39.4228 175.2236 9 V 4.5371 8.7979 120.4271 59.4600 35.0732 174.3272 10 E 5.0494 8.7155 124.4147 54.8678 30.7347 174.9741 11 L 4.9242 8.9443 126.4455 53.0681 46.2222 175.5513 12 T 4.8544 8.4959 115.9731 60.3338 69.4018 173.5461 13 G 4.5261 8.7137 116.8882 45.1433 0.0000 171.8706 14 S 5.4604 8.1105 116.7779 56.5744 65.6430 173.1212 15 S 4.7366 8.3463 115.9795 57.1817 65.9817 174.5130 16 P 4.8428 0.0000 0.0000 63.5865 31.6565 176.3938 17 N 4.6693 9.3197 116.7077 52.6703 40.0116 175.4310 18 G 2.8799 7.2084 103.4355 44.6434 0.0000 172.2537 19 I 3.5952 7.1499 119.4516 64.6214 37.1496 178.1462 20 E 3.9418 8.0177 118.7905 59.5238 29.2058 179.3913 21 E 3.8801 7.9760 117.8116 59.2943 29.6790 178.8766 22 A 4.1589 8.0498 120.8200 55.3691 18.3977 180.1923 23 V 3.4777 7.7657 110.8293 64.4833 31.6438 178.3661 24 N 4.2067 8.0011 116.2569 56.5432 38.3728 177.0961 25 N 4.3151 8.3316 117.4720 56.2383 38.6322 177.3399 26 A 3.9514 7.7241 121.6352 55.2562 18.5634 179.6426 27 I 3.6260 8.1549 118.5704 63.9912 37.1786 178.3754 28 A 3.9344 8.4062 122.1036 55.4971 16.7170 180.0580 29 R 3.8876 8.1082 115.9004 59.0110 30.0053 179.2711 30 A 4.2455 7.9929 121.1493 54.9146 18.2149 179.9107 31 G 3.6363 7.9711 103.2649 47.6277 0.0000 175.5083 32 E 4.0587 7.7916 119.8119 59.2686 29.5795 178.3888 33 T 4.2710 7.1441 109.8647 61.7018 68.4560 173.9847 34 L 4.5089 7.8486 119.9330 52.5876 44.1637 175.3754 35 R 4.4775 7.3255 114.4311 56.0376 32.5734 174.2005 36 H 4.1077 8.6676 114.1155 56.8853 25.6284 175.3396 37 L 4.4440 8.0601 118.7979 55.4871 42.2665 176.8181 38 R 4.8327 9.2035 122.8794 57.2253 31.9497 176.2819 39 W 5.5423 7.7537 113.8099 55.1900 31.9532 172.9999 40 F 5.3158 8.4373 114.2899 55.4236 41.0508 173.3100 41 E 4.6372 9.4526 119.9773 54.3469 33.0810 174.4522 42 V 4.4474 8.6856 127.2120 62.9729 31.6775 175.8590 43 V 4.1727 8.7982 128.0576 62.0802 32.7349 175.8166 44 D 4.6454 7.1643 120.4956 54.1818 44.2747 174.8691 45 T 5.0986 8.8245 122.0242 62.0860 71.4072 173.2087 46 R 4.7561 9.1007 125.0388 54.8080 34.9592 174.0559 47 G 4.0341 8.1286 104.2772 46.3005 0.0000 172.3199 48 H 4.9498 8.4690 120.8235 54.4265 32.1092 173.5485 49 I 4.8413 7.8603 125.2848 59.4285 39.3299 174.6375 50 E 4.5751 9.1889 127.7637 55.1147 33.1663 175.0491 51 G 3.8086 8.6009 113.8795 47.3172 0.0000 174.8349 52 G 4.1987 8.6535 108.7325 44.6542 0.0000 172.4030 53 R 4.6028 7.7796 114.4686 53.4730 32.7410 174.3845 54 V 3.9015 8.2805 119.8865 63.0270 31.5106 175.2776 55 N 4.8539 8.7398 124.2111 53.3510 39.8052 174.2358 56 H 5.1681 7.7354 116.6435 53.9043 33.1184 172.1191 57 W 4.8035 9.5716 124.1873 55.6373 31.0529 175.4295 58 Q 4.9025 9.4832 124.4025 54.3081 30.9231 174.3821 59 V 4.7234 8.5448 125.4683 61.4953 33.3518 174.5005 60 T 5.0524 8.9407 123.9513 61.0825 69.2031 173.7498 61 V 5.0685 9.2491 126.5304 60.1540 35.6568 173.7790 62 K 4.9813 9.5703 122.7291 54.7835 34.6034 175.2025 63 V 4.5783 8.9670 125.5413 60.9386 34.1933 174.2231 64 G 3.1223 8.4209 115.7211 43.9478 0.0000 172.3867 65 F 5.6790 8.5108 119.5232 55.1579 41.9280 174.1028 66 T 4.1824 8.8014 118.3661 63.6957 68.8777 174.0649 67 L 4.1121 8.4525 127.6202 54.9981 42.0668 174.6434 68 E 4.1087 9.2628 121.4099 56.8659 31.7941 176.1500 *69 G 3.7113 8.3348 111.7206 45.0479 0.0000 172.4300 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 3 D 8.35 4.54 0.00 2.71 2.34 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 4 H 8.88 4.34 0.00 2.80 3.17 0.00 5.63 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 5 V 8.43 4.42 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 0.98 0.00 0.00 0.90 0.00 0.00 6 Y 8.79 5.14 0.00 2.99 2.94 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 7 K 8.26 4.48 0.00 1.38 0.74 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.26 7.81 8 I 8.19 4.78 1.86 0.00 0.00 1.07 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 0.75 0.88 0.00 0.00 9 V 8.80 4.54 2.14 0.00 0.00 0.00 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 1.06 0.00 0.00 10 E 8.72 5.05 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 11 L 8.94 4.92 0.00 1.56 1.47 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.50 4.85 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 1.22 0.00 0.00 13 G 8.71 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 0.00 0.00 0.00 0.00 14 S 8.11 5.46 0.00 3.86 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 15 S 8.35 4.74 0.00 3.87 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 16 P 0.00 4.84 0.00 2.26 2.23 0.00 3.46 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 N 9.32 4.67 0.00 2.70 2.85 0.00 0.00 6.82 8.34 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 18 G 7.21 2.88 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 19 I 7.15 3.60 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.05 0.91 0.00 0.00 20 E 8.02 3.94 0.00 1.97 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 2.38 2.45 0.00 21 E 7.98 3.88 0.00 2.13 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 2.35 2.38 0.00 22 A 8.05 4.16 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 23 V 7.77 3.48 1.74 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 0.76 0.00 0.00 0.39 0.00 0.00 24 N 8.00 4.21 0.00 2.96 2.82 0.00 0.00 7.05 7.08 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 25 N 8.33 4.32 0.00 2.90 2.84 0.00 0.00 6.92 6.62 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 26 A 7.72 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 3.63 1.70 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 0.83 0.00 0.00 28 A 8.41 3.93 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 29 R 8.11 3.89 0.00 1.95 1.95 0.00 3.26 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 30 A 7.99 4.25 1.28 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 0.00 0.00 0.00 31 G 7.97 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 32 E 7.79 4.06 0.00 2.08 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 2.31 2.42 0.00 33 T 7.14 4.27 4.18 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 1.20 0.00 0.00 34 L 7.85 4.51 0.00 1.25 0.86 0.69 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.33 4.48 0.00 1.62 1.73 0.00 3.12 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.87 0.00 36 H 8.67 4.11 0.00 3.61 3.56 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.06 4.44 0.00 1.67 1.66 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.20 4.83 0.00 2.10 2.30 0.00 3.51 0.00 0.00 3.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 39 W 7.75 5.54 0.00 3.26 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 40 F 8.44 5.32 0.00 3.06 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 41 E 9.45 4.64 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 42 V 8.69 4.45 2.18 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 0.96 0.00 0.00 1.15 0.00 0.00 43 V 8.80 4.17 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 0.75 0.00 0.00 0.96 0.00 0.00 44 D 7.16 4.65 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 5.10 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 1.45 0.00 0.00 46 R 9.10 4.76 0.00 1.67 1.80 0.00 3.30 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 47 G 8.13 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 0.00 0.00 0.00 48 H 8.47 4.95 0.00 3.21 3.30 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.86 4.84 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.86 0.00 0.00 50 E 9.19 4.58 0.00 2.12 1.72 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 2.19 2.26 0.00 51 G 8.60 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 0.00 0.00 0.00 52 G 8.65 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.78 4.60 0.00 1.95 1.96 0.00 2.78 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 54 V 8.28 3.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.58 0.00 0.00 55 N 8.74 4.85 0.00 2.69 2.97 0.00 0.00 6.29 7.82 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 56 H 7.74 5.17 0.00 3.09 3.19 0.00 5.80 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 57 W 9.57 4.80 0.00 3.44 3.23 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 58 Q 9.48 4.90 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 V 8.54 4.72 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 1.02 0.00 0.00 1.03 0.00 0.00 60 T 8.94 5.05 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 1.29 0.00 0.00 61 V 9.25 5.07 2.09 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 0.68 0.00 0.00 1.08 0.00 0.00 62 K 9.57 4.98 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 V 8.97 4.58 2.09 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 1.04 0.00 0.00 0.91 0.00 0.00 64 G 8.42 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 0.00 0.00 0.00 65 F 8.51 5.68 0.00 3.32 3.03 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 66 T 8.80 4.18 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 1.00 0.00 0.00 67 L 8.45 4.11 0.00 1.59 1.58 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.26 4.11 0.00 2.03 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 2.12 2.33 0.00 *69 G 8.33 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.