NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4050 8.3044 120.3482 54.8102 34.1509 175.0509 2 V 4.0730 7.5391 117.9703 59.5730 31.2877 172.2158 3 S 4.7569 8.5549 119.0304 56.4940 65.4296 172.2147 4 Q 4.4885 8.0099 122.2495 55.8979 32.2555 172.3320 5 K 4.5171 8.1241 119.3798 55.6044 35.1863 174.5574 6 N 4.8528 8.4712 117.6527 51.3984 38.9511 173.4171 7 G 4.0603 8.3091 113.0792 44.8167 0.0000 171.8091 8 I 4.4357 7.8331 113.7871 60.2687 38.4391 174.8882 9 A 4.3935 7.7665 129.4880 53.1998 23.9135 179.7057 10 T 3.9390 7.7032 112.7994 66.5593 68.2998 176.4980 11 L 4.0057 7.9187 121.4516 58.7014 40.3108 178.8180 12 L 3.8870 7.9340 121.1448 58.0039 41.7900 178.9278 13 Q 3.8979 7.9997 119.3709 59.0964 28.9853 178.0152 14 A 3.9782 7.8890 121.4001 54.9552 18.4369 179.1180 15 E 3.8194 8.3906 118.0194 59.2574 29.6919 179.2191 16 K 3.9490 8.1997 118.6020 59.5980 32.1372 179.1908 17 E 3.9401 8.3630 118.6522 59.2903 29.2925 179.3201 18 A 3.9911 8.2004 120.8066 55.6968 18.4355 179.4831 19 H 4.1420 8.4602 114.8041 58.7713 28.6043 177.7894 20 E 3.9285 8.4551 121.3670 59.3644 29.4603 178.9931 21 I 3.6931 7.9194 119.9414 64.4271 37.2225 178.6739 22 V 3.5681 8.0417 119.3339 65.9125 31.2607 178.0951 23 S 4.0525 8.4273 113.3584 61.1476 62.1903 176.0403 24 K 3.9479 8.4135 122.4873 59.4672 31.9060 178.5640 25 A 3.9967 8.2581 121.3276 55.1712 18.2433 179.6549 26 R 3.8178 7.9862 117.0822 59.4376 30.1337 178.5961 27 K 3.9351 8.2751 119.6365 59.6971 32.1092 178.1622 28 Y 3.7464 8.4323 120.1211 60.4757 38.6532 177.7385 29 R 3.9317 8.3607 119.8919 59.5471 30.1912 178.3299 30 Q 3.9201 8.4864 119.7924 59.2141 29.0194 177.5730 31 D 4.2462 8.3231 119.4028 57.0968 41.1435 178.2041 32 K 3.8671 8.3543 120.5598 59.4398 32.1747 178.8810 33 L 3.9779 8.1711 119.6070 57.5347 41.6550 179.4715 34 K 3.8831 8.3672 119.9137 59.5686 32.1884 178.6109 35 Q 3.9226 8.2213 119.7233 59.1061 28.9061 178.1377 36 A 3.9450 8.3226 122.1124 54.9968 18.4066 179.2151 37 K 3.7602 8.2346 118.4255 60.2138 32.1224 178.9324 38 T 3.8517 7.7612 115.1907 66.7396 68.3078 176.2921 39 D 4.3286 7.9489 120.1266 57.2936 40.8092 178.7731 40 A 3.9351 8.2156 121.0240 55.0942 18.3473 179.4523 41 A 3.9188 8.1316 119.3926 55.3438 18.4880 179.8496 42 K 3.8967 8.2869 118.2077 59.3715 32.1701 178.7298 43 E 3.9528 8.3430 119.9060 59.3688 29.5226 178.9659 44 I 3.7542 7.9556 119.9706 64.2906 37.1292 177.9744 45 D 4.2996 8.3456 119.0989 57.4062 41.0317 178.2493 46 S 4.0745 8.4853 114.0510 61.6393 62.3582 175.5090 47 Y 3.9088 8.3242 122.3997 60.3368 38.4279 177.8452 48 K 3.9924 8.5046 121.0630 59.5919 32.2888 179.0223 49 I 3.7051 7.9682 120.2897 64.2550 36.9473 178.2745 50 Q 3.8446 8.3321 120.8850 58.8995 28.8155 178.1599 51 K 3.7164 7.9951 120.9188 59.4075 32.1557 178.3678 52 D 4.2467 8.1834 118.4587 57.2674 41.2501 178.3839 53 K 3.8762 8.2070 119.2500 59.3626 31.8176 179.0253 54 E 3.8975 8.0571 118.7182 59.1476 29.6289 178.3303 55 L 4.0656 7.8944 119.6875 57.8803 42.2261 178.4255 56 K 3.9044 8.1441 119.1770 56.9642 32.3189 177.2530 57 E 3.8261 7.5007 119.1256 55.7889 29.1293 173.8014 58 F 4.5160 8.3516 116.4677 59.1066 40.2805 178.7088 59 E 4.1430 8.4306 117.3833 58.5450 29.6637 176.5054 60 C 4.4420 7.4553 117.8576 59.6856 28.8204 173.5153 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 M 8.30 4.41 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 2 V 7.54 4.07 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 3 S 8.55 4.76 0.00 3.85 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 4 Q 8.01 4.49 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 5 K 8.12 4.52 0.00 1.65 1.64 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.42 7.81 6 N 8.47 4.85 0.00 2.80 2.75 0.00 0.00 5.70 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 7 G 8.31 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.83 4.44 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 1.34 0.75 0.91 0.00 0.00 9 A 7.77 4.39 1.26 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 10 T 7.70 3.94 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 11 L 7.92 4.01 0.00 1.90 1.92 0.91 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.93 3.89 0.00 1.89 1.72 0.91 0.52 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 13 Q 8.00 3.90 0.00 2.30 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 2.35 2.37 0.00 14 A 7.89 3.98 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 15 E 8.39 3.82 0.00 2.01 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 2.16 2.26 0.00 16 K 8.20 3.95 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 17 E 8.36 3.94 0.00 2.09 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 2.33 2.52 0.00 18 A 8.20 3.99 1.44 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 0.00 0.00 19 H 8.46 4.14 0.00 3.39 3.38 0.00 5.82 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 20 E 8.46 3.93 0.00 2.28 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 2.32 2.41 0.00 21 I 7.92 3.69 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 1.40 0.68 0.90 0.00 0.00 22 V 8.04 3.57 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 1.06 0.00 0.00 0.96 0.00 0.00 23 S 8.43 4.05 0.00 3.92 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 24 K 8.41 3.95 0.00 2.06 1.80 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.63 7.81 25 A 8.26 4.00 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 26 R 7.99 3.82 0.00 2.15 1.94 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 27 K 8.28 3.94 0.00 1.89 2.04 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.60 7.81 28 Y 8.43 3.75 0.00 3.26 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 29 R 8.36 3.93 0.00 2.18 1.94 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 30 Q 8.49 3.92 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 31 D 8.32 4.25 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.87 0.00 1.93 1.96 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.51 7.81 33 L 8.17 3.98 0.00 1.89 1.70 0.94 1.26 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 34 K 8.37 3.88 0.00 1.99 1.77 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 35 Q 8.22 3.92 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 36 A 8.32 3.94 1.37 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 0.00 0.00 37 K 8.23 3.76 0.00 2.02 1.96 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 1.50 7.81 38 T 7.76 3.85 4.33 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 1.21 0.00 0.00 39 D 7.95 4.33 0.00 2.77 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 40 A 8.22 3.94 1.37 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 0.00 0.00 41 A 8.13 3.92 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 42 K 8.29 3.90 0.00 2.03 1.82 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 E 8.34 3.95 0.00 2.27 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 2.31 2.36 0.00 44 I 7.96 3.75 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.93 0.00 0.00 45 D 8.35 4.30 0.00 2.97 2.67 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 46 S 8.49 4.07 0.00 4.00 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 47 Y 8.32 3.91 0.00 3.27 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 48 K 8.50 3.99 0.00 2.09 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 49 I 7.97 3.71 1.86 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 1.40 0.61 0.89 0.00 0.00 50 Q 8.33 3.84 0.00 2.22 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 51 K 8.00 3.72 0.00 1.42 1.69 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.33 7.81 52 D 8.18 4.25 0.00 2.84 2.60 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 0.00 53 K 8.21 3.88 0.00 1.84 1.77 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.58 7.81 54 E 8.06 3.90 0.00 1.98 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 0.00 2.28 2.29 0.00 55 L 7.89 4.07 0.00 1.86 1.64 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.14 3.90 0.00 1.86 1.85 0.00 1.85 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.41 7.81 57 E 7.50 3.83 0.00 2.19 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 0.00 2.39 2.42 0.00 58 F 8.35 4.52 0.00 3.08 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 59 E 8.43 4.14 0.00 2.10 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 0.00 2.50 2.38 0.00 60 C 7.46 4.44 0.00 3.00 2.81 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