NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4501 0.0000 0.0000 63.1209 32.6316 175.1649 2 S 4.3367 8.3212 113.2900 58.3712 66.7651 172.9199 3 G 4.3619 10.1627 116.7677 45.7224 0.0000 173.4081 4 K 4.6442 7.3756 115.5192 53.6567 36.2405 175.2373 5 N 4.3493 8.6142 118.1745 53.4747 39.3935 173.9006 6 P 4.2917 0.0000 0.0000 65.6919 31.3125 178.8429 7 V 3.5366 8.0648 118.2691 66.2375 31.3660 177.4629 8 M 3.9939 7.6466 117.1294 58.8189 31.9140 178.0044 9 I 3.9544 7.7006 120.5020 63.9314 37.4595 177.8066 10 L 3.9990 8.0723 120.8982 58.3800 41.6081 178.2181 11 N 4.3475 8.5236 116.6360 56.7706 38.7608 176.0925 12 E 4.1152 8.6905 118.9361 59.8695 29.4471 179.1371 13 L 4.1224 8.6884 120.0389 56.5171 42.9606 180.2458 14 R 3.6274 7.5241 115.5569 56.5008 25.5275 173.6480 15 P 4.3967 0.0000 0.0000 65.9056 31.9952 177.0794 16 G 4.5031 7.4493 107.3464 45.2389 0.0000 172.6523 17 L 4.8710 7.9981 119.9937 53.9367 42.9145 175.5180 18 K 4.5792 8.5286 117.9047 55.3618 36.0527 174.5473 19 Y 5.2925 8.6836 119.9924 56.6782 40.1063 174.5489 20 D 5.0833 9.3955 124.0016 52.6902 43.5857 175.0181 21 F 5.4683 8.9362 125.3497 56.7338 40.9829 174.5745 22 L 4.6042 8.9933 126.2360 52.8442 44.8666 176.3257 23 S 4.3599 8.1454 117.6031 58.2718 63.7900 173.8339 24 E 4.1518 8.7911 122.6613 57.2586 26.4900 174.9309 25 S 4.5359 7.8167 111.0389 56.3912 63.4111 175.5789 26 G 3.7424 7.9616 108.0900 46.4254 0.0000 172.7126 27 E 4.2258 8.3865 115.9326 56.4503 30.0571 177.7381 28 S 4.4909 8.2091 111.9837 59.4925 62.2998 174.8787 29 H 4.7741 8.0748 117.3580 56.5595 31.2146 174.0764 30 A 4.5698 8.3871 117.4359 50.4520 20.4675 176.0504 31 K 4.3784 8.4396 114.9197 56.5212 33.7497 174.9228 32 S 5.1209 7.8872 115.6197 56.8753 66.8656 172.8458 33 F 5.2003 9.6745 123.2047 55.8627 41.3823 174.7887 34 V 4.9554 9.2691 123.2713 61.3962 34.2191 173.9216 35 M 5.2455 9.2835 127.6925 53.7200 34.7463 174.5193 36 S 5.1089 9.0352 118.8486 56.6507 65.1349 173.0300 37 V 4.9329 8.4128 119.4511 59.5560 35.1203 174.5092 38 V 5.0119 8.5101 125.1357 61.5484 33.5227 173.8469 39 V 4.3979 8.8945 125.0042 62.2285 30.8037 176.5674 40 D 4.5487 9.3410 114.0927 54.3477 41.0441 175.7433 41 G 3.9568 8.4456 103.7893 45.6466 0.0000 173.3012 42 Q 4.6783 7.7610 117.4436 53.6071 31.9147 174.0256 43 F 5.2559 7.8322 121.3684 56.5975 42.4868 173.7857 44 F 4.7166 8.2632 122.8231 55.6699 43.5879 173.4876 45 E 5.0641 8.6321 119.3159 54.6303 33.3228 175.4031 46 G 4.2031 9.2884 110.9924 44.4809 0.0000 171.2920 47 S 5.3340 8.9703 120.9608 56.7598 64.5237 173.8225 48 G 4.2900 9.3107 112.1318 43.9844 0.0000 173.2254 49 R 4.3707 8.8574 121.1164 58.2969 30.5061 175.4880 50 N 4.0360 7.7375 113.8857 51.9269 42.0510 174.4311 51 K 3.8400 8.2747 118.7186 59.3567 31.9505 179.3188 52 K 3.9498 7.9066 116.1347 58.6514 32.6879 176.8083 53 L 4.4427 7.6250 119.3299 56.1746 44.5245 177.6984 54 A 4.1496 8.6000 120.7159 55.3057 18.2662 179.3457 55 K 3.7964 8.0960 117.5682 59.5777 32.2005 178.5228 56 A 3.9381 7.8909 120.3343 55.3608 18.2992 179.3635 57 R 3.7778 8.1891 116.2693 59.4475 30.1663 178.9063 58 A 3.9340 8.1387 119.9209 55.2731 18.4083 179.0762 59 A 3.8212 8.4726 119.2523 55.6807 18.4280 179.6359 60 Q 3.7944 8.4083 116.1978 59.3182 28.8321 179.4054 61 S 3.9316 7.9672 115.5163 61.6202 62.8640 176.4289 62 A 2.5800 7.2619 122.8274 54.7584 17.9846 179.2136 63 L 2.4400 7.8197 116.7775 57.6696 41.6703 179.5741 64 A 3.8785 7.6533 119.8502 56.3442 18.3882 179.1337 65 T 3.7872 7.7127 113.6729 67.0940 68.4714 176.8815 66 V 3.6913 8.3771 114.0702 64.8471 31.9123 178.8582 67 F 4.5343 8.1494 117.4890 60.7318 38.5158 177.0409 68 N 4.3258 8.1115 115.7182 56.8273 38.7593 176.5131 69 L 4.0339 7.8611 118.7471 55.3797 42.0887 176.3994 70 H 4.2640 8.1368 114.8266 57.1614 26.4094 174.5737 71 L 4.3814 8.2156 125.8324 55.2893 42.1617 175.4941 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 P 0.00 4.45 0.00 2.19 2.12 0.00 3.76 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 1.88 2.12 0.00 2 S 8.32 4.34 0.00 3.93 3.76 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 3 G 10.16 4.36 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 0.00 4 K 7.38 4.64 0.00 1.67 1.68 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.46 7.81 5 N 8.61 4.35 0.00 2.70 2.68 0.00 0.00 6.59 7.88 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 6 P 0.00 4.29 0.00 2.27 2.28 0.00 3.75 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 2.05 2.16 0.00 7 V 8.06 3.54 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.90 0.00 0.00 8 M 7.65 3.99 0.00 2.19 2.04 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 2.59 2.73 0.00 9 I 7.70 3.95 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 1.05 0.00 0.00 10 L 8.07 4.00 0.00 1.70 1.87 1.12 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.52 4.35 0.00 2.70 3.05 0.00 0.00 7.48 7.57 0.00 0.00 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 E 8.69 4.12 0.00 2.21 2.36 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 2.53 2.38 0.00 13 L 8.69 4.12 0.00 1.85 1.91 0.91 1.04 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 14 R 7.52 3.63 0.00 2.05 2.24 0.00 3.16 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.06 0.00 15 P 0.00 4.40 0.00 2.10 2.22 0.00 3.77 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 2.12 2.20 0.00 16 G 7.45 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.87 0.00 1.49 1.60 0.48 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.53 4.58 0.00 1.87 1.88 0.00 1.21 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.42 7.81 19 Y 8.68 5.29 0.00 2.91 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 20 D 9.40 5.08 0.00 2.69 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 F 8.94 5.47 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.99 4.60 0.00 1.80 1.46 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.15 4.36 0.00 3.63 3.56 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 0.00 0.00 0.00 0.00 24 E 8.79 4.15 0.00 2.00 2.30 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 2.08 2.24 0.00 25 S 7.82 4.54 0.00 3.80 3.82 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 26 G 7.96 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 0.00 0.00 0.00 27 E 8.39 4.23 0.00 2.11 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 0.00 2.39 2.37 0.00 28 S 8.21 4.49 0.00 3.61 3.81 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 29 H 8.07 4.77 0.00 3.10 3.28 0.00 5.66 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 30 A 8.39 4.57 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 31 K 8.44 4.38 0.00 1.95 2.02 0.00 1.29 0.00 0.00 1.50 0.00 0.00 2.66 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.93 1.01 7.81 32 S 7.89 5.12 0.00 3.77 3.76 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 33 F 9.67 5.20 0.00 3.11 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 34 V 9.27 4.96 2.22 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 1.23 0.00 0.00 1.02 0.00 0.00 35 M 9.28 5.25 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 36 S 9.04 5.11 0.00 3.97 3.81 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 37 V 8.41 4.93 2.10 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 0.66 0.00 0.00 0.99 0.00 0.00 38 V 8.51 5.01 2.14 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 1.16 0.00 0.00 1.13 0.00 0.00 39 V 8.89 4.40 2.11 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 1.04 0.00 0.00 0.95 0.00 0.00 40 D 9.34 4.55 0.00 2.69 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 41 G 8.45 3.96 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 0.00 0.00 0.00 42 Q 7.76 4.68 0.00 2.23 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 43 F 7.83 5.26 0.00 2.81 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 44 F 8.26 4.72 0.00 2.87 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 45 E 8.63 5.06 0.00 1.74 1.78 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 0.00 1.72 2.30 0.00 46 G 9.29 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 0.00 0.00 0.00 0.00 47 S 8.97 5.33 0.00 3.91 3.92 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 48 G 9.31 4.29 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 0.00 49 R 8.86 4.37 0.00 1.83 2.10 0.00 3.39 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.04 0.00 50 N 7.74 4.04 0.00 2.36 2.35 0.00 0.00 6.90 6.32 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 51 K 8.27 3.84 0.00 1.54 1.64 0.00 1.27 0.00 0.00 0.84 0.00 0.00 2.51 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.31 1.13 7.81 52 K 7.91 3.95 0.00 1.77 1.86 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 53 L 7.62 4.44 0.00 1.66 1.76 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.60 4.15 1.53 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 55 K 8.10 3.80 0.00 1.76 1.82 0.00 1.33 0.00 0.00 1.12 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.48 7.81 56 A 7.89 3.94 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.19 3.78 0.00 2.00 2.00 0.00 3.31 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 58 A 8.14 3.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.47 3.82 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 60 Q 8.41 3.79 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 61 S 7.97 3.93 0.00 3.83 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 62 A 7.26 2.58 0.81 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 0.00 0.00 63 L 7.82 2.44 0.00 1.58 1.24 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.65 3.88 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 65 T 7.71 3.79 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 66 V 8.38 3.69 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 1.01 0.00 0.00 0.84 0.00 0.00 67 F 8.15 4.53 0.00 3.01 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.33 0.00 2.74 3.16 0.00 0.00 7.58 7.69 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 69 L 7.86 4.03 0.00 1.86 1.73 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.14 4.26 0.00 3.35 3.41 0.00 5.59 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.22 4.38 0.00 1.62 1.55 0.97 0.66 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