NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4059 8.2649 123.5825 51.5655 21.0236 176.4182 3 K 4.3468 7.5475 114.5626 56.2122 36.6238 173.5141 4 H 3.5884 9.7648 113.8171 57.8875 29.6820 175.5026 5 P 4.4685 0.0000 0.0000 63.5490 32.4099 175.8434 6 V 4.3238 8.0100 118.0433 61.0977 34.3409 171.3509 7 P 4.2168 0.0000 0.0000 63.4528 31.5417 175.9924 8 K 4.4113 8.3469 121.2138 56.2657 32.9435 176.1051 9 K 4.4003 7.5743 114.4503 55.5450 35.8465 174.9220 10 K 3.7642 8.8796 124.0806 56.9137 32.3158 176.4123 11 T 4.0143 8.4321 117.0407 61.3297 69.5409 174.9425 12 S 4.3204 8.6667 120.2717 58.4083 65.2115 175.0150 13 K 3.9236 8.6447 121.9513 59.7388 31.8801 178.5877 14 A 3.9565 7.9646 120.1641 55.7281 18.2369 179.6643 15 R 3.9645 8.2157 115.7961 59.7034 30.4123 177.8491 16 R 3.9085 8.6147 119.4884 58.6563 29.9602 177.7648 17 D 4.3959 8.5713 117.8991 57.6340 41.1981 179.0526 18 A 3.9215 8.2820 121.3309 55.6419 18.1006 179.5442 19 R 3.8963 7.8476 115.1863 59.2239 30.2475 177.7648 20 R 4.1197 8.1814 116.4364 55.7221 30.0957 178.2422 21 S 4.1299 7.9399 115.4135 60.9162 63.0729 174.7597 22 H 4.8405 7.8729 116.6073 56.0002 28.5718 175.0809 23 H 4.7269 8.0568 117.6477 56.3541 29.3327 175.8718 24 A 4.0584 7.9545 122.1529 52.3616 18.5840 177.2048 25 L 4.1982 8.3185 122.0684 54.7109 42.5360 176.3725 26 T 4.4116 8.1877 116.8573 59.7830 68.3971 172.8916 27 P 4.4829 0.0000 0.0000 61.4696 32.2117 174.3870 28 P 4.2567 0.0000 0.0000 63.4797 31.6096 175.3384 29 T 4.4745 8.3593 115.2864 61.0133 68.5697 173.3095 30 L 5.1824 8.3719 127.3282 53.5463 46.2320 175.8475 31 V 4.0843 9.1333 112.1699 60.6306 36.0397 173.4026 32 P 3.4509 0.0000 0.0000 61.3252 32.0087 172.8798 33 C 3.5525 8.2336 131.5152 58.5580 30.1895 171.9517 34 P 4.0539 0.0000 0.0000 66.0800 30.4484 177.6175 35 E 4.0924 7.3877 117.3698 58.9382 29.8227 176.6426 36 C 4.6613 7.7216 115.9692 56.1513 41.2610 174.0865 37 K 4.2725 8.4540 118.3087 57.3963 32.1413 177.4586 38 A 4.5195 7.5675 124.8419 52.9303 20.5451 177.8071 39 M 4.9078 8.3173 117.0447 55.0128 34.8493 174.4396 40 K 4.8718 9.0062 123.5142 53.5151 36.7042 173.7991 41 P 4.8497 0.0000 0.0000 61.7376 31.5208 174.4953 42 P 4.2212 0.0000 0.0000 64.8095 32.0339 175.2513 43 H 4.0935 9.9302 115.7116 56.2359 24.9483 175.5335 44 T 4.6134 7.6755 106.4750 60.1983 71.5754 173.6660 45 V 4.0226 8.5649 125.0871 63.7318 32.1656 174.7382 46 C 4.6280 8.6941 124.5630 59.0529 34.1637 174.1930 47 P 4.3813 0.0000 0.0000 63.7192 30.3779 174.7472 48 E 4.6542 9.1079 127.2082 56.9654 37.3794 178.1043 49 C 3.1926 9.6365 125.3613 57.7400 44.7119 176.8768 50 G 3.7492 8.6250 106.8251 45.8784 0.0000 176.4718 51 Y 4.8674 7.7985 121.6782 56.0594 41.7128 173.6302 52 Y 3.9822 8.6529 119.9038 57.4087 37.6516 176.1027 53 A 3.6987 8.8379 129.4218 52.2097 16.1692 176.6703 54 G 3.7873 7.4890 105.7617 45.2904 0.0000 173.5750 55 R 4.1657 8.0994 121.6596 54.8465 31.2710 175.0146 56 K 4.3208 8.1677 118.6319 56.3280 33.1631 174.0145 57 V 3.1090 7.4152 108.4122 64.1214 32.0458 176.1949 58 L 4.4303 7.4324 118.2591 54.4878 45.7625 174.0516 59 E 4.7202 8.6247 119.5270 55.0294 32.4515 175.2088 60 V 3.9677 8.2863 119.9643 63.1184 31.8299 175.0691 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 A 8.26 4.41 1.30 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 0.00 0.00 3 K 7.55 4.35 0.00 1.75 1.68 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.53 7.81 4 H 9.76 3.59 0.00 3.16 2.83 0.00 5.72 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.47 0.00 2.05 1.98 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 6 V 8.01 4.32 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 0.71 0.00 0.00 1.08 0.00 0.00 7 P 0.00 4.22 0.00 2.08 2.00 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 8 K 8.35 4.41 0.00 1.70 1.80 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.44 7.81 9 K 7.57 4.40 0.00 1.73 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.39 7.81 10 K 8.88 3.76 0.00 1.71 1.76 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 T 8.43 4.01 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 S 8.67 4.32 0.00 4.07 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 13 K 8.64 3.92 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.56 7.81 14 A 7.96 3.96 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.22 3.96 0.00 1.77 1.97 0.00 3.27 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 8.61 3.91 0.00 1.88 2.15 0.00 3.19 0.00 0.00 3.17 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 17 D 8.57 4.40 0.00 2.72 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 18 A 8.28 3.92 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 19 R 7.85 3.90 0.00 1.97 2.10 0.00 3.29 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 20 R 8.18 4.12 0.00 1.95 1.99 0.00 3.21 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 21 S 7.94 4.13 0.00 3.87 3.98 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 22 H 7.87 4.84 0.00 3.13 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.06 4.73 0.00 3.31 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.95 4.06 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 25 L 8.32 4.20 0.00 1.66 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.19 4.41 4.25 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 1.22 0.00 0.00 27 P 0.00 4.48 0.00 2.22 2.04 0.00 3.83 0.00 0.00 3.71 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 28 P 0.00 4.26 0.00 2.20 2.11 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 29 T 8.36 4.47 4.25 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 1.22 0.00 0.00 30 L 8.37 5.18 0.00 1.51 1.51 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.13 4.08 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 0.64 0.00 0.00 1.06 0.00 0.00 32 P 0.00 3.45 0.00 2.02 1.90 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 33 C 8.23 3.55 0.00 3.11 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 34 P 0.00 4.05 0.00 2.13 2.10 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 35 E 7.39 4.09 0.00 1.83 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 2.48 0.00 36 C 7.72 4.66 0.00 3.03 3.01 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 37 K 8.45 4.27 0.00 1.86 1.90 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 38 A 7.57 4.52 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 39 M 8.32 4.91 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 40 K 9.01 4.87 0.00 1.80 1.89 0.00 1.33 0.00 0.00 2.00 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.36 7.81 41 P 0.00 4.85 0.00 2.13 2.13 0.00 3.42 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 42 P 0.00 4.22 0.00 2.21 2.16 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 43 H 9.93 4.09 0.00 3.36 3.53 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.68 4.61 4.30 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 1.26 0.00 0.00 45 V 8.56 4.02 2.12 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 0.77 0.00 0.00 0.89 0.00 0.00 46 C 8.69 4.63 0.00 2.97 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 47 P 0.00 4.38 0.00 2.14 2.18 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 48 E 9.11 4.65 0.00 2.03 1.15 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 0.00 2.22 2.27 0.00 49 C 9.64 3.19 0.00 3.15 3.23 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 50 G 8.62 3.75 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 0.00 0.00 0.00 51 Y 7.80 4.87 0.00 2.35 1.48 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 52 Y 8.65 3.98 0.00 3.16 3.03 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 53 A 8.84 3.70 1.35 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 0.00 0.00 54 G 7.49 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 55 R 8.10 4.17 0.00 1.82 1.75 0.00 3.29 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 56 K 8.17 4.32 0.00 1.88 1.78 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.18 1.43 7.81 57 V 7.42 3.11 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 0.74 0.00 0.00 0.94 0.00 0.00 58 L 7.43 4.43 0.00 1.55 1.51 0.92 0.81 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 59 E 8.62 4.72 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 60 V 8.29 3.97 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 0.83 0.00 0.00 0.93 0.00 0.00