NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4347 8.1633 120.3479 55.1127 32.8767 175.6340 2 V 3.3386 8.6565 120.9859 63.1696 31.6449 174.9076 3 I 4.3710 7.5396 121.5474 59.1983 39.9230 173.8950 4 A 4.5440 8.6947 131.2829 50.7248 20.6051 178.2053 5 T 3.8949 8.5044 115.8015 67.0581 68.1483 176.5680 6 D 4.5440 7.9972 118.6577 55.8307 39.5542 177.3819 7 D 4.5316 7.9029 119.2881 55.7871 41.2262 176.7979 8 L 4.5068 7.6221 118.6764 55.6249 43.7828 176.3912 9 E 5.0518 8.3798 116.0156 54.3743 33.4745 175.6288 10 V 4.3422 8.7441 122.8199 60.7754 33.6994 174.8766 11 A 4.3147 8.6322 130.0010 52.1085 18.9513 176.4975 12 C 4.2436 8.7934 124.4738 59.1643 32.1158 172.7448 13 P 4.4822 0.0000 0.0000 64.3172 31.7869 177.8116 14 K 4.0733 8.1744 118.9394 59.5279 32.3441 177.5583 15 C 4.4847 8.0547 110.7491 56.9988 30.2782 173.0908 16 E 3.5634 8.6737 118.8296 57.8009 27.0555 175.6110 17 R 4.3134 8.2878 117.0518 56.3527 30.1611 176.3971 18 A 4.0405 7.6685 119.8997 55.7155 18.4510 178.8475 19 G 4.0951 9.0503 103.5360 44.9372 0.0000 172.8130 20 E 4.9530 7.6289 115.6101 54.3513 32.2325 175.0445 21 I 4.3048 8.1297 121.5101 60.4410 38.9049 175.4710 22 E 3.6271 10.0407 124.5264 57.6607 26.9861 174.5497 23 G 4.1378 8.6326 109.3276 46.1821 0.0000 174.9787 24 T 4.1501 7.7458 110.5314 59.8921 68.9438 172.1879 25 P 4.4552 0.0000 0.0000 62.4613 32.0370 175.6998 26 C 4.1630 9.0094 124.1645 59.0563 31.7526 172.3941 27 P 4.3664 0.0000 0.0000 63.6835 30.2386 176.1405 28 A 4.5165 7.0662 119.6121 53.7066 21.1247 178.0125 29 C 4.1464 7.9227 112.6991 58.8753 30.8827 174.0854 30 S 3.6969 9.0713 115.7611 58.8078 59.9422 170.9314 31 G 4.4247 8.2093 118.7342 45.8833 0.0000 174.3899 32 K 3.6717 8.0276 119.7316 57.1947 32.3381 179.1948 33 G 4.1195 8.7475 105.9788 45.4575 0.0000 173.1585 34 V 4.9443 7.2287 116.6289 60.1128 34.8955 174.2353 35 I 4.5434 8.8074 123.0581 59.0346 40.7156 174.7600 36 L 4.5409 8.4677 129.2662 54.9437 42.5213 176.7820 37 T 4.3721 8.5845 112.8354 60.4695 70.9360 175.5232 38 A 4.1273 8.7846 123.2442 55.7004 18.2229 179.7070 39 Q 4.0440 8.1111 117.4978 59.2034 29.2466 178.4461 40 G 3.5508 8.0777 106.8872 47.9018 0.0000 175.3805 41 Y 4.3075 8.0787 119.1360 61.0768 37.8130 178.3364 42 T 3.9658 8.0431 116.7742 66.9851 68.6358 176.4099 43 L 4.0812 7.8059 119.9000 57.7784 41.6760 179.5027 44 L 4.0273 8.0293 120.2068 58.2091 42.0846 178.5919 45 D 4.4189 8.8908 119.2328 57.3368 40.7891 178.4408 46 F 4.2643 8.5683 121.1993 61.5232 39.3706 177.2106 47 I 3.3686 8.0188 119.1412 64.4570 36.7512 177.9985 48 Q 3.9117 8.2458 119.2861 59.2717 28.7837 178.4772 49 K 4.0116 7.8761 119.5022 59.5076 32.4089 177.8390 50 H 4.4481 7.6046 114.1443 55.7592 28.4862 175.7396 51 L 3.8397 7.9763 122.9797 56.7235 42.4810 176.4179 52 N 4.3317 8.7320 121.1360 53.3821 36.3240 174.3590 53 K 4.1099 7.4934 119.9561 57.3901 32.6432 175.5785 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 8.16 4.43 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 V 8.66 3.34 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 0.68 0.00 0.00 0.92 0.00 0.00 3 I 7.54 4.37 1.86 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 1.22 0.86 0.90 0.00 0.00 4 A 8.69 4.54 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.50 3.89 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 1.20 0.00 0.00 6 D 8.00 4.54 0.00 2.82 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 7 D 7.90 4.53 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.51 0.00 1.68 1.64 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.38 5.05 0.00 1.75 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 10 V 8.74 4.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 11 A 8.63 4.31 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 12 C 8.79 4.24 0.00 3.04 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 13 P 0.00 4.48 0.00 2.22 2.15 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 14 K 8.17 4.07 0.00 1.77 1.90 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.37 7.81 15 C 8.05 4.48 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 3.56 0.00 2.06 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 2.25 2.22 0.00 17 R 8.29 4.31 0.00 1.93 2.18 0.00 3.24 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 18 A 7.67 4.04 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 19 G 9.05 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 20 E 7.63 4.95 0.00 2.02 1.87 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 2.16 2.30 0.00 21 I 8.13 4.30 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 1.30 1.18 0.91 0.00 0.00 22 E 10.04 3.63 0.00 2.11 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 2.21 2.29 0.00 23 G 8.63 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.15 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 25 P 0.00 4.46 0.00 2.06 2.08 0.00 3.68 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 2.04 2.12 0.00 26 C 9.01 4.16 0.00 2.92 2.95 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 0.00 0.00 0.00 27 P 0.00 4.37 0.00 2.08 2.08 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 A 7.07 4.52 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.15 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 30 S 9.07 3.70 0.00 4.05 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 0.00 31 G 8.21 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.67 0.00 1.79 1.98 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.42 7.81 33 G 8.75 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.23 4.94 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 0.61 0.00 0.00 1.05 0.00 0.00 35 I 8.81 4.54 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.47 0.94 0.00 0.00 36 L 8.47 4.54 0.00 0.62 0.95 0.46 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.58 4.37 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 1.22 0.00 0.00 38 A 8.78 4.13 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 39 Q 8.11 4.04 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 8.08 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.31 0.00 3.24 2.97 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 0.00 0.00 0.00 42 T 8.04 3.97 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 L 7.81 4.08 0.00 1.92 1.79 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.03 4.03 0.00 1.95 1.91 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.89 4.42 0.00 3.11 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 46 F 8.57 4.26 0.00 3.16 3.36 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 47 I 8.02 3.37 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.97 0.89 0.00 0.00 48 Q 8.25 3.91 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 49 K 7.88 4.01 0.00 1.79 2.05 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.09 1.33 7.81 50 H 7.60 4.45 0.00 2.75 3.08 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.98 3.84 0.00 1.68 1.53 0.89 0.83 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 52 N 8.73 4.33 0.00 2.84 2.83 0.00 0.00 6.79 7.61 0.00 0.00 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 7.49 4.11 0.00 1.80 1.68 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.34 7.81