NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5805 8.3049 120.2823 54.8822 33.7789 175.0029 1 D 4.3337 8.2653 120.9172 54.5373 42.1938 173.8322 2 T 5.0089 8.9465 119.2981 62.4441 70.8108 173.3522 3 Y 5.0210 9.2389 124.1011 56.2912 41.0805 174.9163 4 K 5.1314 9.3230 122.4169 54.6661 35.6202 174.9313 5 L 4.8381 8.6802 125.2308 53.2542 44.7232 174.9585 6 I 4.6279 8.7650 127.9285 59.7118 39.4629 174.7087 7 L 4.6030 8.8783 128.5815 53.3748 43.1575 175.8117 8 N 5.0315 8.8150 125.6036 51.7865 37.1272 175.4655 9 G 4.5333 7.7770 110.2442 43.6403 0.0000 171.8324 10 K 4.1135 9.2288 119.9928 59.0649 32.2833 178.3704 11 T 4.3542 7.9329 112.1907 64.5736 70.6663 174.4577 12 L 4.5162 7.6674 121.6766 53.4408 42.6804 175.5656 13 K 4.9881 8.2838 122.2729 54.5964 36.1777 175.9738 14 G 4.0051 8.0136 108.1772 46.8088 0.0000 171.4058 15 E 5.2434 8.5710 117.5914 55.3180 33.8388 174.7374 16 T 4.7612 8.6137 116.9185 61.2038 71.7809 171.8645 17 T 5.4743 8.2791 112.1154 60.8098 72.2440 172.8384 18 T 4.8001 9.3020 115.4475 61.0386 71.3863 171.8571 19 E 5.3693 8.6968 125.3390 55.0405 31.4097 175.0095 20 A 4.6745 8.9438 124.3281 50.8551 22.8798 177.7141 21 V 3.5170 8.5039 118.9882 64.7116 31.8495 176.1909 22 D 4.9986 7.6735 119.3648 51.9315 42.9130 175.9250 23 A 2.9812 8.2422 120.8176 54.8250 17.9638 179.4886 24 A 3.7713 7.6902 117.9247 55.6480 18.5861 179.5995 25 T 3.8265 8.0336 113.8445 66.5765 68.6828 176.9948 26 A 3.5541 7.5009 122.6799 54.9490 18.2751 179.2865 27 E 3.2346 7.9699 117.9111 58.8594 29.5091 179.1871 28 K 3.8087 7.4231 118.9705 59.2746 32.0764 179.4013 29 V 3.5824 7.3372 117.9528 66.0373 31.4500 178.0159 30 F 4.7852 7.7818 117.3240 60.5372 38.6669 177.9249 31 K 4.0883 8.5475 118.6588 59.4400 31.8609 178.8756 32 Q 3.9737 8.1149 119.8857 59.5173 28.9946 178.1551 33 Y 4.1989 8.5284 121.1993 60.2520 38.9629 177.7595 34 A 4.1481 8.6949 121.9999 55.1903 18.5558 179.0967 35 N 4.2904 8.5884 116.0037 56.8878 38.8380 176.9845 36 E 4.0332 8.3668 118.6431 58.7812 29.4542 177.6148 37 H 4.7048 7.6998 114.7994 54.2223 29.1009 174.8334 38 G 4.0704 7.8352 108.0119 47.0281 0.0000 174.6654 39 V 4.3981 7.6463 109.8298 60.5817 32.5555 175.9667 40 D 4.7415 8.2799 118.9922 53.6756 42.5051 176.5839 41 G 4.0984 7.8053 108.5569 46.3562 0.0000 172.0402 42 E 4.4358 8.1767 122.1551 56.0056 30.7630 176.1115 43 W 5.3563 9.0748 124.2483 55.3724 31.3000 175.6513 44 T 4.9434 9.1745 113.4095 60.1067 71.9276 171.9420 45 Y 5.0009 8.7106 124.1539 55.8594 42.1899 173.5377 46 D 4.6483 8.0433 126.5235 51.6758 41.9486 174.6195 47 P 4.0071 0.0000 0.0000 65.3293 31.7000 179.0608 48 E 3.9615 8.2335 117.4676 58.6147 29.3548 177.7007 49 T 4.3695 7.5240 105.1568 60.1758 69.8119 173.6604 50 K 4.0426 7.1849 119.7450 57.1327 30.4949 174.3133 51 T 5.1895 7.3712 113.7654 61.9270 71.5051 174.3252 52 F 5.4251 9.7515 125.8249 56.9018 41.2212 174.9417 53 T 5.1065 9.1867 119.6039 61.5747 71.9033 173.2982 54 V 4.1839 8.4526 125.4496 59.8968 34.2243 174.4752 55 T 4.8018 8.3427 122.2514 61.1379 71.0603 173.9740 56 E 4.3088 8.6659 127.1582 56.4350 29.2749 176.4238 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 M 8.30 4.58 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 1 D 8.27 4.33 0.00 2.71 2.28 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 2 T 8.95 5.01 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 1.26 0.00 0.00 3 Y 9.24 5.02 0.00 3.21 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.32 5.13 0.00 1.76 1.70 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.41 7.81 5 L 8.68 4.84 0.00 0.27 0.61 0.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.77 4.63 1.80 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 1.29 0.58 0.84 0.00 0.00 7 L 8.88 4.60 0.00 1.54 1.56 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.81 5.03 0.00 2.57 2.70 0.00 0.00 6.57 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 9 G 7.78 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 10 K 9.23 4.11 0.00 1.73 1.88 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 11 T 7.93 4.35 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 12 L 7.67 4.52 0.00 1.70 1.60 0.93 0.63 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 13 K 8.28 4.99 0.00 1.56 1.63 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.39 7.81 14 G 8.01 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.57 5.24 0.00 1.75 1.73 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 2.13 2.24 0.00 16 T 8.61 4.76 3.94 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 0.77 0.00 0.00 17 T 8.28 5.47 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 18 T 9.30 4.80 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 0.80 0.00 0.00 19 E 8.70 5.37 0.00 1.92 1.90 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 2.28 2.35 0.00 20 A 8.94 4.67 1.13 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 0.00 0.00 21 V 8.50 3.52 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 0.75 0.00 0.00 0.95 0.00 0.00 22 D 7.67 5.00 0.00 2.89 2.80 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 23 A 8.24 2.98 0.87 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 0.00 0.00 24 A 7.69 3.77 1.20 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 25 T 8.03 3.83 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 1.11 0.00 0.00 26 A 7.50 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.97 3.23 0.00 1.65 1.69 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 1.61 1.47 0.00 28 K 7.42 3.81 0.00 1.73 1.73 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.46 7.81 29 V 7.34 3.58 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 1.12 0.00 0.00 0.80 0.00 0.00 30 F 7.78 4.79 0.00 3.16 3.26 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 31 K 8.55 4.09 0.00 1.59 1.72 0.00 1.27 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.71 1.09 7.81 32 Q 8.11 3.97 0.00 2.24 2.42 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 2.54 2.40 0.00 33 Y 8.53 4.20 0.00 3.48 3.30 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 34 A 8.69 4.15 1.63 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 0.00 0.00 35 N 8.59 4.29 0.00 2.96 2.90 0.00 0.00 7.01 8.16 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 36 E 8.37 4.03 0.00 2.11 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 0.00 2.30 1.86 0.00 37 H 7.70 4.70 0.00 3.09 3.25 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.84 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.65 4.40 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 0.76 0.00 0.00 1.03 0.00 0.00 40 D 8.28 4.74 0.00 2.75 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 41 G 7.81 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.18 4.44 0.00 1.97 1.94 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 2.39 2.33 0.00 43 W 9.07 5.36 0.00 3.25 3.39 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 44 T 9.17 4.94 4.31 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 1.27 0.00 0.00 45 Y 8.71 5.00 0.00 2.86 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 46 D 8.04 4.65 0.00 2.62 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 0.00 0.00 0.00 0.00 47 P 0.00 4.01 0.00 2.15 2.13 0.00 3.45 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 48 E 8.23 3.96 0.00 2.01 1.95 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 2.27 2.34 0.00 49 T 7.52 4.37 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 50 K 7.18 4.04 0.00 1.89 1.65 0.00 1.30 0.00 0.00 1.05 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.28 7.81 51 T 7.37 5.19 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 1.23 0.00 0.00 52 F 9.75 5.43 0.00 3.24 3.35 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 53 T 9.19 5.11 4.23 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 1.19 0.00 0.00 54 V 8.45 4.18 0.67 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 0.48 0.00 0.00 0.39 0.00 0.00 55 T 8.34 4.80 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 1.17 0.00 0.00 56 E 8.67 4.31 0.00 1.96 1.81 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 2.32 2.43 0.00