NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1417 8.1849 122.4907 54.8684 43.1526 176.2436 5 R 4.1009 8.4749 124.8756 53.9728 29.9227 170.7186 6 V 4.1955 8.8069 125.0650 60.7176 33.3467 175.8399 7 Q 4.0998 8.5875 127.2277 55.3414 30.2300 175.3565 8 P 4.2449 0.0000 0.0000 66.4232 31.0005 178.5723 9 E 3.9608 8.1437 116.6722 58.8562 29.4487 178.7651 10 A 3.9638 7.8871 121.3587 54.8963 18.4855 179.2159 11 Q 3.9064 8.9618 118.9251 59.1514 29.1027 178.2435 12 A 3.9873 7.9629 121.9474 55.0570 18.5043 179.5741 13 K 3.8816 8.0556 116.9872 59.6643 32.1370 179.7137 14 V 3.6496 7.5359 117.9545 66.2161 31.6737 177.5556 15 D 4.4321 8.3255 118.8964 57.5434 40.6548 179.2540 16 V 3.5901 7.9063 118.4032 65.9195 31.5998 177.8224 17 F 4.2160 8.1103 119.8741 61.5042 39.0373 177.1135 18 R 3.6351 8.5987 118.4490 58.9541 29.6834 178.3966 19 E 3.9414 7.9764 118.2487 59.2770 29.5988 178.4247 20 D 4.2962 7.8668 118.9204 57.4927 40.9122 178.8713 21 L 3.7416 7.5703 120.5169 58.0542 41.8831 178.6231 22 C 4.0185 7.5318 118.4357 62.6123 31.5069 175.5191 23 T 3.9552 7.9214 117.3298 66.8178 68.0597 176.5271 24 K 3.8138 8.2640 120.5295 60.0813 32.1230 179.5223 25 T 3.7927 7.8846 115.7333 66.3790 68.3386 176.8703 26 E 3.9581 8.3389 120.9931 59.2451 29.4092 179.1494 27 N 4.3234 8.0718 116.7475 55.9978 38.5264 177.2614 28 L 3.7598 7.8162 120.4658 57.7728 41.4708 179.6603 29 L 3.7955 7.1405 116.6690 57.7620 41.8015 179.7004 30 G 3.7895 7.8840 102.9044 46.5349 0.0000 173.4073 31 S 4.6905 7.9770 113.6398 59.0740 68.1568 175.2406 32 Y 4.0216 8.3207 120.3412 60.7718 38.5279 177.9798 33 F 4.5451 8.6986 118.8149 60.4775 38.9947 176.0391 34 P 4.3671 0.0000 0.0000 65.1184 30.9953 178.7270 35 K 3.8704 8.0525 118.6804 59.5638 32.2454 179.0462 36 K 3.8073 8.1690 119.0813 59.5152 31.7662 179.3944 37 I 3.7245 7.8169 120.0812 64.4163 37.1036 178.7485 38 S 4.1533 7.9050 115.8533 61.4326 62.6525 176.3930 39 E 3.9481 8.3086 121.4182 59.6341 29.3072 179.5620 40 L 4.1263 7.9855 118.8180 57.8734 41.4461 179.0972 41 D 4.3599 7.7506 117.0424 57.1129 41.4907 177.9380 42 A 4.1751 7.8938 121.1073 54.8779 18.4975 179.0931 43 F 4.4058 8.4214 119.3988 61.8523 39.1436 177.4550 44 L 3.8547 7.8795 117.3468 57.4361 41.5120 178.8234 45 K 4.2441 7.6198 115.0740 56.1820 32.1149 176.8407 46 E 4.3804 7.4899 121.4889 54.6621 30.7957 175.4655 47 P 4.2550 0.0000 0.0000 65.6336 31.8115 178.7306 48 A 3.9923 8.2490 119.9105 55.2895 18.2959 178.0288 49 L 4.5035 7.4248 112.1877 54.8275 41.5992 177.7834 50 N 4.9332 8.0034 117.0917 51.2431 39.4844 171.8584 51 E 4.5965 8.0651 117.9291 54.0741 32.4763 176.1950 52 A 3.9866 8.8617 127.3318 54.8350 19.0792 177.0372 53 N 4.7354 7.9175 115.8645 51.9756 38.9147 175.8364 54 L 4.3305 8.3322 123.6567 56.3446 42.2713 178.1969 55 S 4.8093 7.9413 114.1849 58.8451 62.7434 174.3862 56 N 4.8054 7.4658 118.5078 53.9396 39.9974 176.1967 57 L 4.0485 7.7810 119.0089 56.5284 42.4220 176.7976 58 K 3.7139 8.1010 119.1221 57.0500 32.2302 175.1877 59 A 4.7389 8.2839 128.9796 49.3288 20.9478 174.4904 60 P 4.2846 0.0000 0.0000 62.9749 31.3368 175.1844 61 L 4.0476 7.9420 123.6174 53.6252 43.1806 172.5969 62 D 4.3883 8.0769 133.5048 53.9235 39.0193 174.2079 63 I 4.2166 7.8454 124.8035 61.3029 38.2278 175.5201 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 4 L 8.18 4.14 0.00 1.60 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.47 4.10 0.00 1.91 1.88 0.00 3.23 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 6 V 8.81 4.20 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 0.83 0.00 0.00 0.93 0.00 0.00 7 Q 8.59 4.10 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 8 P 0.00 4.24 0.00 2.25 2.34 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 9 E 8.14 3.96 0.00 2.18 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 0.00 2.36 2.31 0.00 10 A 7.89 3.96 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 11 Q 8.96 3.91 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 12 A 7.96 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 13 K 8.06 3.88 0.00 2.02 1.88 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 14 V 7.54 3.65 2.31 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 1.09 0.00 0.00 1.00 0.00 0.00 15 D 8.33 4.43 0.00 2.90 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 16 V 7.91 3.59 2.32 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 1.03 0.00 0.00 1.04 0.00 0.00 17 F 8.11 4.22 0.00 3.12 3.25 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 0.00 0.00 0.00 0.00 18 R 8.60 3.64 0.00 2.09 1.90 0.00 3.20 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 19 E 7.98 3.94 0.00 2.20 1.93 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 2.30 2.61 0.00 20 D 7.87 4.30 0.00 2.74 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 21 L 7.57 3.74 0.00 1.20 1.43 0.74 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.53 4.02 0.00 2.94 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 23 T 7.92 3.96 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 1.17 0.00 0.00 24 K 8.26 3.81 0.00 1.79 1.76 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.57 7.81 25 T 7.88 3.79 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 1.11 0.00 0.00 26 E 8.34 3.96 0.00 2.02 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 2.28 2.60 0.00 27 N 8.07 4.32 0.00 2.85 2.83 0.00 0.00 6.94 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.82 3.76 0.00 1.65 0.97 0.54 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.14 3.80 0.00 1.52 1.64 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.88 3.79 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 0.00 0.00 0.00 31 S 7.98 4.69 0.00 3.83 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 32 Y 8.32 4.02 0.00 3.13 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 33 F 8.70 4.55 0.00 3.15 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 34 P 0.00 4.37 0.00 2.19 2.14 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 35 K 8.05 3.87 0.00 1.88 1.94 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 36 K 8.17 3.81 0.00 1.88 1.76 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.53 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.86 1.34 7.81 37 I 7.82 3.72 2.04 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 1.50 0.77 0.91 0.00 0.00 38 S 7.90 4.15 0.00 3.96 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 39 E 8.31 3.95 0.00 2.08 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 2.28 2.59 0.00 40 L 7.99 4.13 0.00 1.72 1.77 0.95 0.85 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 41 D 7.75 4.36 0.00 2.85 2.84 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 0.00 0.00 0.00 42 A 7.89 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.42 4.41 0.00 3.12 3.19 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 0.00 44 L 7.88 3.85 0.00 1.82 1.65 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.62 4.24 0.00 1.79 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.68 7.81 46 E 7.49 4.38 0.00 2.41 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 2.36 2.34 0.00 47 P 0.00 4.25 0.00 2.24 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 48 A 8.25 3.99 1.39 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 0.00 0.00 49 L 7.42 4.50 0.00 1.63 1.48 -0.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.00 4.93 0.00 2.72 2.68 0.00 0.00 6.65 7.24 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 51 E 8.07 4.60 0.00 1.90 1.83 0.00 0.00 0.00 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 2.34 0.00 52 A 8.86 3.99 1.27 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 0.00 0.00 53 N 7.92 4.74 0.00 2.76 2.77 0.00 0.00 7.09 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 54 L 8.33 4.33 0.00 1.70 1.69 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.94 4.81 0.00 3.85 3.87 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 56 N 7.47 4.81 0.00 2.95 2.84 0.00 0.00 6.81 7.73 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 57 L 7.78 4.05 0.00 1.55 1.97 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.10 3.71 0.00 1.75 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 59 A 8.28 4.74 1.23 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 0.00 0.00 60 P 0.00 4.28 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 61 L 7.94 4.05 0.00 1.60 1.62 0.92 1.23 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 62 D 8.08 4.39 0.00 2.84 2.74 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 0.00 0.00 0.00 0.00 63 I 7.85 4.22 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 1.27 0.78 0.91 0.00 0.00