NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5213 8.3049 120.3274 55.8366 33.2692 175.3555 2 K 4.2840 7.8732 118.0076 55.4064 33.9747 171.9622 3 E 4.8898 8.0099 115.5504 55.5000 31.8925 177.0431 4 G 3.6182 8.3274 107.3282 46.5666 0.0000 174.6610 5 I 4.4981 8.3344 118.0128 63.1578 43.7453 175.7124 6 H 4.3160 7.6908 118.2406 55.7793 27.2233 174.9147 7 P 4.7380 0.0000 0.0000 60.9697 30.6025 172.4114 8 K 3.8617 7.8056 117.0410 55.6956 32.7665 173.1439 9 L 4.9329 8.2274 117.8543 53.4306 43.0304 176.9277 10 V 4.6050 8.2036 126.3849 62.1860 31.8769 174.1429 11 P 4.7477 0.0000 0.0000 59.0700 31.0965 173.7727 12 A 4.2289 8.6307 126.3023 54.9661 23.0909 174.9868 13 R 3.3504 7.0861 114.4688 49.1072 33.4201 175.7498 14 I 4.7819 7.2159 126.1549 61.8961 40.6155 172.8920 15 I 4.9024 7.7429 128.2432 59.5873 39.9604 174.8641 16 C 4.6210 8.3587 120.0411 57.6593 33.1159 173.5816 17 G 4.9175 8.5276 107.1781 46.0306 0.0000 172.1045 18 C 5.1166 9.0034 125.0765 58.1046 30.7796 175.2848 19 G 4.1612 10.2244 103.6917 43.9418 0.0000 176.3416 20 N 5.0146 7.4926 122.3890 52.3720 44.2467 175.5786 21 V 4.3723 7.6794 118.3505 62.3909 30.4810 176.8575 22 I 3.5275 8.8442 111.4066 61.2651 34.4435 172.1713 23 E 4.8822 7.3712 122.8385 55.6584 30.1266 179.4760 24 T 4.1781 7.9789 115.1796 62.6349 68.6786 175.2517 25 Y 4.8810 7.1937 118.2808 60.9036 40.8275 176.9693 26 S 4.6882 7.2983 110.1462 58.9195 69.4634 175.7230 27 T 4.0947 7.2620 111.2404 62.3329 73.0091 171.1055 28 K 4.2474 8.6034 121.0155 55.1821 34.4561 172.7571 29 P 4.7185 0.0000 0.0000 61.7400 32.9190 175.9636 30 E 4.2021 8.5328 123.9201 56.5725 28.5176 174.5020 31 I 4.5110 8.6686 117.0954 60.4553 38.7728 173.7370 32 Y 4.8404 7.4214 127.8268 56.1151 40.2264 171.9778 33 V 4.3661 7.4726 119.2316 62.5250 33.3194 170.0238 34 E 4.6018 8.5769 124.7434 55.3227 27.6776 175.1191 35 V 4.6674 8.7801 123.7296 60.6981 35.8044 173.4112 36 C 5.3044 8.4051 120.2462 58.6837 32.2581 173.2233 37 S 4.4295 8.8324 115.1411 58.1002 65.2634 173.0508 38 K 4.4234 8.8929 123.8464 57.3617 32.8564 175.9026 39 C 5.5048 7.8057 128.3445 60.1376 32.3413 172.7788 40 H 4.8930 7.6023 122.9086 54.2712 33.0575 172.0693 41 P 4.7379 0.0000 0.0000 63.0357 30.8334 174.0205 42 F 5.1285 8.5172 125.6784 58.3327 43.6674 173.2032 43 Y 4.7619 5.3700 116.8509 56.2981 40.6837 175.3300 44 T 3.9420 8.2318 117.4367 64.1177 74.0377 171.4939 45 G 4.3730 8.3144 108.8299 46.4174 0.0000 172.0664 46 Q 4.3900 9.0701 121.2263 54.8908 30.7221 172.8096 47 Q 5.3076 8.3875 112.8346 52.9918 31.0854 174.2815 48 R 3.9726 8.3481 122.2417 57.6367 30.2178 177.0475 49 F 4.6259 8.1994 127.4046 56.6432 38.9467 173.9577 50 V 2.9232 10.3435 124.7593 66.1142 29.5036 171.9760 51 D 4.9237 9.8207 123.1301 55.2977 40.3702 173.9580 52 T 4.4975 7.6111 124.5012 62.3237 74.9031 174.9292 53 E 5.1623 8.7335 134.9548 57.0495 32.8558 176.1632 54 G 4.3710 7.7443 113.0311 42.2870 0.0000 173.7719 55 R 4.1086 7.6487 123.0560 52.3923 29.9258 178.9550 56 V 3.5939 7.8318 117.3125 62.9621 32.5243 171.4311 57 E 5.1873 8.4661 113.2987 58.0911 34.7436 175.2877 58 R 3.0852 7.8117 120.6611 55.3827 30.8414 177.8013 59 F 3.8694 5.7044 126.0202 60.7684 36.9773 176.4669 60 Q 3.6194 8.5964 117.5433 59.2612 28.5527 178.8263 61 R 3.7239 8.4509 118.2382 58.6212 29.8825 178.9781 62 R 4.4540 7.9062 119.3853 60.0194 30.6153 178.1591 63 Y 4.0815 7.6830 116.2312 61.2542 37.9166 178.6341 64 G 4.0880 8.1879 106.3544 48.3880 0.0000 174.7290 65 D 4.4459 8.4381 121.8846 56.1485 39.1694 178.7405 66 S 4.0487 7.9720 116.3735 61.9266 62.9031 175.9182 67 Y 4.4670 7.6742 118.6144 62.0544 37.6859 179.3334 68 R 4.1882 8.5695 117.8526 58.0737 30.0094 179.2471 69 K 4.0416 8.0185 118.7764 59.4468 32.1950 178.5971 70 G 3.9966 7.7142 104.5385 48.6824 0.0000 173.1357 71 R 5.1190 7.7560 123.9332 56.8657 32.1067 174.5835 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 4.52 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 K 7.87 4.28 0.00 1.79 1.77 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.50 7.81 3 E 8.01 4.89 0.00 1.90 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 0.00 2.03 2.31 0.00 4 G 8.33 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.33 4.50 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 1.14 0.00 0.00 6 H 7.69 4.32 0.00 3.25 3.72 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.74 0.00 2.23 2.13 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.93 0.00 8 K 7.81 3.86 0.00 1.90 2.34 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 9 L 8.23 4.93 0.00 1.66 1.58 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.20 4.61 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 0.97 0.00 0.00 0.98 0.00 0.00 11 P 0.00 4.75 0.00 2.15 2.15 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 12 A 8.63 4.23 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 13 R 7.09 3.35 0.00 1.86 1.93 0.00 3.35 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 14 I 7.22 4.78 2.13 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 1.29 0.90 0.93 0.00 0.00 15 I 7.74 4.90 1.88 0.00 0.00 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 1.41 0.48 0.92 0.00 0.00 16 C 8.36 4.62 0.00 2.92 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 17 G 8.53 4.92 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 0.00 0.00 0.00 18 C 9.00 5.12 0.00 3.16 2.87 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 19 G 10.22 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.49 5.01 0.00 2.81 2.75 0.00 0.00 6.86 7.40 0.00 0.00 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 7.68 4.37 2.20 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 1.08 0.00 0.00 0.99 0.00 0.00 22 I 8.84 3.53 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 0.95 0.00 0.00 23 E 7.37 4.88 0.00 1.36 1.18 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 2.08 1.64 0.00 24 T 7.98 4.18 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 1.16 0.00 0.00 25 Y 7.19 4.88 0.00 2.94 2.91 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 0.00 0.00 0.00 26 S 7.30 4.69 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.26 4.09 4.21 0.00 0.00 0.00 0.00 0.00 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 28 K 8.60 4.25 0.00 1.74 1.79 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 29 P 0.00 4.72 0.00 2.03 2.00 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 30 E 8.53 4.20 0.00 1.99 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 0.00 2.28 2.52 0.00 31 I 8.67 4.51 1.92 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 1.50 0.88 0.91 0.00 0.00 32 Y 7.42 4.84 0.00 2.99 3.16 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 0.00 0.00 0.00 0.00 33 V 7.47 4.37 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 0.67 0.00 0.00 1.03 0.00 0.00 34 E 8.58 4.60 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 35 V 8.78 4.67 2.26 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 1.02 0.00 0.00 0.95 0.00 0.00 36 C 8.41 5.30 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.83 4.43 0.00 3.82 3.74 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 38 K 8.89 4.42 0.00 1.79 1.72 0.00 2.03 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.44 7.81 39 C 7.81 5.50 0.00 3.03 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 40 H 7.60 4.89 0.00 3.14 3.22 0.00 5.94 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.74 0.00 2.40 1.61 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 42 F 8.52 5.13 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 5.37 4.76 0.00 2.05 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 0.00 0.00 0.00 0.00 44 T 8.23 3.94 4.15 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 0.00 0.00 1.21 0.00 0.00 45 G 8.31 4.37 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 0.00 46 Q 9.07 4.39 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 47 Q 8.39 5.31 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 48 R 8.35 3.97 0.00 1.91 2.37 0.00 3.42 0.00 0.00 3.40 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 49 F 8.20 4.63 0.00 3.12 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 50 V 10.34 2.92 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 0.72 0.00 0.00 0.96 0.00 0.00 51 D 9.82 4.92 0.00 2.61 2.96 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 0.00 0.00 0.00 52 T 7.61 4.50 4.39 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 1.23 0.00 0.00 53 E 8.73 5.16 0.00 2.08 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 2.08 1.98 0.00 54 G 7.74 4.37 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 0.00 55 R 7.65 4.11 0.00 2.23 1.96 0.00 3.35 0.00 0.00 3.47 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 56 V 7.83 3.59 1.98 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 0.98 0.00 0.00 0.95 0.00 0.00 57 E 8.47 5.19 0.00 2.00 1.67 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 1.93 1.98 0.00 58 R 7.81 3.09 0.00 0.67 0.66 0.00 2.81 0.00 0.00 2.29 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 59 F 5.70 3.87 0.00 2.93 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.60 3.62 0.00 2.36 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.92 2.82 0.00 61 R 8.45 3.72 0.00 2.42 1.66 0.00 3.02 0.00 0.00 3.07 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 62 R 7.91 4.45 0.00 1.85 1.98 0.00 3.10 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 63 Y 7.68 4.08 0.00 2.67 2.29 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 64 G 8.19 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.44 4.45 0.00 2.87 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 66 S 7.97 4.05 0.00 3.86 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 67 Y 7.67 4.47 0.00 3.23 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 68 R 8.57 4.19 0.00 1.98 2.03 0.00 3.31 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 69 K 8.02 4.04 0.00 2.07 1.90 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.85 7.81 70 G 7.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.76 5.12 0.00 1.86 2.19 0.00 3.10 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00