NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3277 8.1933 115.4126 58.3223 64.0273 175.3514 *2 D 4.4856 8.6577 114.6746 54.3155 42.7299 177.6276 3 A 3.9978 7.8388 120.3249 55.0955 18.0101 179.8232 4 I 3.7152 7.4390 117.2946 64.3447 37.2427 178.4753 5 K 4.1101 7.9089 117.9523 59.2977 32.0548 178.6849 6 K 4.0908 8.0917 119.0544 59.2783 32.1135 179.1603 7 K 4.1754 7.7041 116.7916 56.7911 32.2239 176.6968 *9 Q 4.0892 7.8933 116.2162 55.4447 30.4927 176.4236 *11 L 4.2682 7.8545 117.9692 54.3399 43.8244 179.4093 12 K 3.9656 7.9982 117.4028 59.5260 31.9778 179.3049 13 L 4.0102 8.1928 119.4835 57.7966 41.4125 179.3482 14 D 4.3397 8.0144 118.4587 57.0717 40.8555 178.3307 15 K 3.8535 8.2692 120.3763 59.6476 32.1121 178.4857 16 E 3.9597 8.4588 118.9528 59.5268 29.3360 179.0505 17 N 4.2746 8.5315 116.4978 56.3619 38.5843 177.2422 18 A 3.9796 8.2074 122.1636 55.1912 18.3939 179.6764 19 L 3.9093 8.0323 117.3860 57.9581 41.6740 179.2396 20 D 4.3672 8.2261 118.9632 57.5797 40.8099 179.0268 21 R 3.8561 8.2298 118.8054 59.4717 30.0266 178.4028 22 A 3.9918 8.2618 120.7385 54.9934 18.3309 179.2570 23 E 3.8387 8.5295 118.2701 59.4647 29.6828 178.8759 24 Q 3.9100 8.2864 119.4686 59.0560 29.0661 177.9347 25 A 4.0015 8.1609 121.8597 55.3145 18.2087 179.4769 26 E 3.8970 8.2208 115.8344 59.3308 29.7863 179.1468 27 A 4.1448 8.1542 120.8312 55.3124 18.5553 179.4111 28 D 4.1731 8.2806 117.5556 57.3083 40.8185 178.8838 29 K 3.9370 8.2431 120.2006 59.6567 32.2062 178.1647 *215 D 4.6685 7.9034 117.5793 54.4016 43.0021 177.2327 216 F 4.2217 8.3990 120.6699 61.9040 39.3779 176.9591 217 Y 4.1968 7.7521 115.9562 60.9455 37.6129 178.2504 218 F 4.2762 8.8614 122.2252 61.1826 39.5399 177.3105 219 G 3.6664 8.7237 105.8789 47.8404 0.0000 175.8133 220 K 3.9011 7.5869 120.7292 59.1416 31.9950 179.4663 221 L 3.8117 7.5993 119.0023 57.6234 41.4578 179.5453 222 R 3.6721 7.6174 118.6459 59.4361 29.9887 178.2920 223 N 4.2791 8.0719 116.2264 56.3960 38.4034 177.5130 224 I 3.6599 7.8803 121.3522 64.1010 37.1098 177.9338 225 E 3.7962 8.4020 120.6379 59.4050 29.3696 178.9758 226 L 4.1848 8.0313 118.8913 57.7738 41.4060 179.5975 227 I 3.6681 7.5027 118.8997 64.5268 37.4061 177.8724 228 C 4.2366 8.2643 117.7701 63.0220 27.8570 176.2475 229 Q 4.5640 8.3451 121.2105 58.6534 28.0902 178.7608 230 E 4.0701 8.2998 118.5552 58.5888 29.8041 178.2212 231 N 4.9053 7.7006 114.3292 52.9889 38.9827 176.1255 232 E 4.0797 8.0148 123.6378 59.6695 29.3038 179.6184 233 G 3.6845 8.0688 106.2917 48.4682 0.0000 174.4492 234 E 3.9976 7.9998 118.1882 57.4053 29.6478 176.4545 235 N 4.1085 7.6632 114.8031 53.8120 36.9831 174.6810 236 D 4.5194 7.9185 116.8848 53.2164 42.6454 173.5898 237 P 4.2599 0.0000 0.0000 65.6332 31.3147 178.8232 238 V 3.4986 8.2255 118.4384 66.0550 31.5233 177.7885 239 L 3.9495 8.1139 118.2266 58.0288 41.3413 179.2778 240 Q 3.9792 8.2771 119.3754 59.1869 29.0123 178.5101 241 R 3.8925 7.9290 118.9554 59.1969 29.9896 179.0943 242 I 3.6026 7.7233 119.5994 64.3633 37.1177 178.5281 243 V 3.2514 8.0433 119.4221 66.1672 31.0616 177.7917 244 D 4.3991 8.0608 117.5571 57.2398 40.8845 178.6859 245 I 3.8340 7.5716 120.3481 64.2868 36.9221 178.1607 246 L 3.8043 7.6526 118.6870 58.0206 41.4132 177.9603 247 Y 4.8137 7.5920 112.2552 57.7451 38.0214 175.7947 248 A 4.2784 7.7222 123.4811 52.1487 19.0835 177.4635 249 T 4.5718 8.1672 110.1915 60.2333 71.5337 173.9850 250 D 4.6650 8.7162 120.7335 54.9690 42.2633 173.2653 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 0 S 8.19 4.33 0.00 4.02 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 *2 D 8.66 4.49 0.00 2.83 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 3 A 7.84 4.00 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 4 I 7.44 3.72 1.87 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 1.52 0.75 0.91 0.00 0.00 5 K 7.91 4.11 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 6 K 8.09 4.09 0.00 1.79 1.99 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 7 K 7.70 4.18 0.00 1.88 1.91 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 *9 Q 7.89 4.09 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.26 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 *11 L 7.85 4.27 0.00 1.77 1.74 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.00 3.97 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 13 L 8.19 4.01 0.00 1.67 1.71 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.01 4.34 0.00 2.68 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 15 K 8.27 3.85 0.00 1.87 2.00 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 16 E 8.46 3.96 0.00 2.23 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 2.33 2.50 0.00 17 N 8.53 4.27 0.00 2.85 2.87 0.00 0.00 6.96 6.87 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 18 A 8.21 3.98 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 19 L 8.03 3.91 0.00 1.86 1.73 0.92 0.93 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 20 D 8.23 4.37 0.00 2.94 2.73 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 21 R 8.23 3.86 0.00 1.93 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 22 A 8.26 3.99 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 23 E 8.53 3.84 0.00 2.06 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 2.30 2.45 0.00 24 Q 8.29 3.91 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 25 A 8.16 4.00 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 26 E 8.22 3.90 0.00 2.16 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 2.34 2.39 0.00 27 A 8.15 4.14 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 28 D 8.28 4.17 0.00 2.89 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 29 K 8.24 3.94 0.00 1.89 2.11 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.55 7.81 *215 D 7.90 4.67 0.00 2.97 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 0.00 216 F 8.40 4.22 0.00 2.95 2.86 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 0.00 0.00 0.00 217 Y 7.75 4.20 0.00 3.19 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 0.00 218 F 8.86 4.28 0.00 3.27 3.13 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 0.00 0.00 0.00 0.00 219 G 8.72 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 K 7.59 3.90 0.00 1.82 1.74 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.20 7.81 221 L 7.60 3.81 0.00 1.48 1.47 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 222 R 7.62 3.67 0.00 1.47 1.85 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 223 N 8.07 4.28 0.00 2.87 2.79 0.00 0.00 7.07 6.74 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 0.00 224 I 7.88 3.66 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.82 0.00 0.00 225 E 8.40 3.80 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 226 L 8.03 4.18 0.00 1.86 1.69 0.94 0.72 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 0.00 227 I 7.50 3.67 1.96 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 1.50 0.54 0.88 0.00 0.00 228 C 8.26 4.24 0.00 3.02 2.93 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 0.00 229 Q 8.35 4.56 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 230 E 8.30 4.07 0.00 2.10 2.02 0.00 0.00 0.00 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 2.55 0.00 231 N 7.70 4.91 0.00 2.89 2.77 0.00 0.00 6.88 7.64 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 0.00 232 E 8.01 4.08 0.00 2.16 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 2.35 2.36 0.00 233 G 8.07 3.68 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 0.00 0.00 0.00 234 E 8.00 4.00 0.00 2.18 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 2.34 2.28 0.00 235 N 7.66 4.11 0.00 2.83 2.86 0.00 0.00 6.93 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 D 7.92 4.52 0.00 2.73 2.53 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 0.00 237 P 0.00 4.26 0.00 2.29 2.29 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 238 V 8.23 3.50 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 1.00 0.00 0.00 0.92 0.00 0.00 239 L 8.11 3.95 0.00 1.86 1.69 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 240 Q 8.28 3.98 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 241 R 7.93 3.89 0.00 2.07 1.94 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 242 I 7.72 3.60 1.95 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 1.35 0.68 0.81 0.00 0.00 243 V 8.04 3.25 2.27 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 1.02 0.00 0.00 0.89 0.00 0.00 244 D 8.06 4.40 0.00 2.79 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 0.00 245 I 7.57 3.83 1.96 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 1.49 0.97 0.86 0.00 0.00 246 L 7.65 3.80 0.00 1.03 1.32 0.64 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 247 Y 7.59 4.81 0.00 2.97 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 0.00 248 A 7.72 4.28 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 0.00 249 T 8.17 4.57 4.27 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 1.25 0.00 0.00 250 D 8.72 4.67 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.