NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6212 8.2233 120.3121 52.8220 41.6362 176.9211 3 Y 3.8993 8.0571 119.2250 61.2235 37.8432 176.7303 4 L 4.0924 8.3616 119.5930 57.8277 42.2512 179.1754 5 R 3.9069 7.9949 118.0003 59.7243 30.2093 178.3976 6 E 4.0907 8.1958 118.0703 59.1746 29.3814 179.3875 7 L 4.0621 8.4385 119.6301 57.8395 41.8114 178.7338 8 Y 3.8927 8.2896 119.4717 60.6883 38.7619 178.3501 9 K 4.2739 8.0652 120.2615 58.9620 32.1296 178.8517 10 L 4.1280 7.8827 120.3571 58.5581 41.8298 179.0066 11 E 3.9691 8.2196 118.2851 59.2880 29.4308 179.4296 12 Q 3.9171 7.7918 117.8013 58.8746 28.8290 178.4658 13 Q 4.0680 8.5496 119.2779 58.8255 28.6801 178.6514 14 A 3.8992 8.2560 121.9623 55.7427 18.5863 179.4807 15 M 4.0215 8.2919 117.1703 58.6112 31.9819 179.0612 16 K 4.0093 8.0598 119.7351 59.3380 32.2978 179.0088 17 L 3.9463 7.7852 119.4130 57.8781 41.4142 179.0577 18 Y 4.1022 8.1753 117.0533 60.7348 37.6944 178.1110 19 R 4.1708 7.9597 119.2550 59.6457 30.0937 178.2501 20 E 3.9277 8.1746 117.9917 59.4468 29.5049 179.5442 21 A 3.9957 8.2639 120.8739 55.2185 18.2984 179.6742 22 S 4.0753 8.6826 113.4358 62.0069 63.0551 176.4278 23 E 4.1127 8.2090 119.8545 59.6663 29.3122 179.4900 24 K 4.1547 7.7063 116.7865 57.6530 32.3925 177.8629 25 A 3.9978 7.2169 121.8601 53.0399 18.4876 177.2979 26 R 4.4601 8.5360 120.0357 55.7334 32.1416 175.8736 27 N 4.6847 7.8779 117.6861 51.6797 40.2789 172.6662 28 P 4.2283 0.0000 0.0000 66.0099 31.5404 178.0210 29 E 3.9383 8.2586 116.2880 59.6341 29.3989 179.1630 30 K 3.7874 8.3186 118.0224 59.6352 32.1229 178.7574 31 K 3.8074 8.0790 119.3102 60.1182 32.0937 178.6914 32 S 4.0924 8.2015 114.9927 61.5549 62.6695 177.1191 33 V 3.4894 7.6801 120.7703 65.9987 31.3223 178.0273 34 L 4.0015 8.0368 118.7561 58.1227 41.5448 179.6929 35 Q 3.9405 8.4092 118.1625 58.7036 28.6602 178.8469 36 K 3.8813 7.8429 120.7855 59.4895 32.2471 179.0521 37 I 3.5239 7.5682 120.1820 63.7232 36.8214 177.9625 38 L 3.7354 7.7264 121.5559 58.1572 41.9037 178.6129 39 E 3.7882 7.8974 118.9817 59.4845 29.5878 178.6070 40 D 4.0568 7.6017 118.2940 57.2314 40.9472 178.6206 41 E 3.8355 8.3024 119.4825 59.2037 29.2726 179.1914 42 E 3.8219 8.1659 118.8213 59.2655 29.5184 179.1490 43 K 3.5504 7.7088 119.4922 59.7942 31.9921 178.4507 44 H 4.0539 7.5099 116.0505 58.7991 28.5989 177.6523 45 I 3.4277 7.4189 121.2016 64.3063 36.6700 178.0903 46 E 3.9845 7.6282 118.6901 59.2553 29.8523 178.5959 47 W 4.6134 8.3330 119.0610 59.8594 29.1064 178.5519 48 L 4.1865 8.6644 119.5004 57.9064 40.8968 179.3426 49 E 4.4473 8.2131 118.6274 58.7982 29.3990 179.1466 50 T 4.2012 7.8779 115.8239 65.3237 68.4416 175.0699 51 I 4.5370 7.4164 112.0891 60.4530 38.3033 175.2282 52 N 4.5373 8.0949 124.3538 54.1877 38.5272 174.9686 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 2 D 8.22 4.62 0.00 2.95 2.92 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 0.00 0.00 0.00 3 Y 8.06 3.90 0.00 3.23 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 4 L 8.36 4.09 0.00 1.80 1.80 1.01 0.91 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 5 R 7.99 3.91 0.00 1.92 2.17 0.00 3.20 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 6 E 8.20 4.09 0.00 2.15 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 2.29 2.40 0.00 7 L 8.44 4.06 0.00 2.03 1.82 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.29 3.89 0.00 3.36 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 9 K 8.07 4.27 0.00 1.94 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.59 7.81 10 L 7.88 4.13 0.00 2.06 1.77 0.96 1.02 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 11 E 8.22 3.97 0.00 2.00 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 2.53 2.42 0.00 12 Q 7.79 3.92 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 13 Q 8.55 4.07 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 14 A 8.26 3.90 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 15 M 8.29 4.02 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 16 K 8.06 4.01 0.00 1.83 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.47 7.81 17 L 7.79 3.95 0.00 1.62 1.41 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.18 4.10 0.00 3.07 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 19 R 7.96 4.17 0.00 2.00 1.93 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 20 E 8.17 3.93 0.00 2.26 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 2.41 0.00 21 A 8.26 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 22 S 8.68 4.08 0.00 3.93 3.96 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 23 E 8.21 4.11 0.00 1.92 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 2.55 2.51 0.00 24 K 7.71 4.15 0.00 1.69 1.86 0.00 1.61 0.00 0.00 2.01 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.49 7.81 25 A 7.22 4.00 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 26 R 8.54 4.46 0.00 1.78 1.94 0.00 3.20 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 27 N 7.88 4.68 0.00 2.75 2.69 0.00 0.00 7.17 7.71 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 28 P 0.00 4.23 0.00 2.19 2.10 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 29 E 8.26 3.94 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 30 K 8.32 3.79 0.00 2.01 1.89 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 31 K 8.08 3.81 0.00 1.99 1.99 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.74 7.81 32 S 8.20 4.09 0.00 4.08 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 33 V 7.68 3.49 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 1.02 0.00 0.00 0.95 0.00 0.00 34 L 8.04 4.00 0.00 1.75 1.86 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.41 3.94 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 36 K 7.84 3.88 0.00 1.99 1.90 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 37 I 7.57 3.52 1.22 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 1.19 0.27 -0.07 0.00 0.00 38 L 7.73 3.74 0.00 1.80 1.81 0.97 1.07 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 39 E 7.90 3.79 0.00 2.10 1.97 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 2.19 2.26 0.00 40 D 7.60 4.06 0.00 2.69 2.39 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 41 E 8.30 3.84 0.00 1.94 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 2.39 2.57 0.00 42 E 8.17 3.82 0.00 2.03 1.89 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 2.25 2.55 0.00 43 K 7.71 3.55 0.00 1.46 1.46 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.96 7.81 44 H 7.51 4.05 0.00 3.42 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.42 3.43 1.90 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.73 0.00 0.00 46 E 7.63 3.98 0.00 1.93 2.16 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 2.53 2.47 0.00 47 W 8.33 4.61 0.00 3.60 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 48 L 8.66 4.19 0.00 2.11 2.00 1.05 0.90 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 49 E 8.21 4.45 0.00 2.29 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 2.78 2.57 0.00 50 T 7.88 4.20 4.59 0.00 0.00 0.00 0.00 0.00 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 51 I 7.42 4.54 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.91 0.00 0.00 52 N 8.09 4.54 0.00 3.00 2.72 0.00 0.00 7.11 7.56 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