NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2308 8.0244 114.4099 60.8916 39.2862 173.7495 2 V 4.4419 8.3368 120.1300 61.5440 34.9806 175.2180 3 C 4.9806 9.3406 122.2578 55.5450 46.2407 172.6115 4 H 5.9336 8.2556 117.8322 54.4680 30.7248 174.6678 5 T 5.0108 8.3968 111.3037 60.5254 70.4002 174.2471 6 T 4.6074 8.5884 116.6813 61.8681 69.9803 176.7143 7 A 4.7314 8.4612 123.3997 52.4818 20.7018 177.6875 8 T 4.0899 8.0560 104.7188 62.8951 68.6267 178.6394 9 S 4.4529 5.8100 121.5353 57.2147 64.0976 171.3737 10 P 4.2796 0.0000 0.0000 64.0041 31.8957 175.3533 11 I 4.5237 7.4821 121.1964 60.3599 40.5621 172.8557 12 S 4.6830 8.1587 123.0414 57.1721 66.3206 173.7104 13 A 5.4590 8.6581 124.5821 50.7125 18.7050 176.6935 14 V 4.5076 8.0040 114.2761 60.2058 35.1245 176.0094 15 T 4.1857 8.5882 120.1193 64.3392 69.0770 174.3697 16 C 4.8349 8.5075 121.6279 54.2116 42.7846 171.4766 17 P 4.5501 0.0000 0.0000 61.3232 31.7605 174.1482 18 P 4.2575 0.0000 0.0000 62.4759 30.8773 173.6950 19 G 3.5078 8.5075 116.2233 45.5396 0.0000 172.8959 20 E 4.2662 7.6337 127.5330 55.6048 29.1878 177.1066 21 N 4.6077 8.2148 122.1731 54.7553 39.3618 174.8333 22 L 4.4883 7.6525 117.1599 55.5958 43.9274 173.2186 23 C 5.4036 8.5932 116.7358 56.6665 44.1927 171.8848 24 Y 4.9467 8.1662 116.9120 56.6665 41.8402 173.9249 25 R 4.4973 8.7873 116.8819 54.6468 33.8255 175.4182 26 K 4.8047 8.0820 123.4543 55.4841 34.6527 175.5903 27 M 4.1332 7.3624 118.9043 55.8320 36.7381 173.7769 28 W 4.6677 8.0922 125.0678 56.0681 33.9509 176.5036 29 C 4.9850 9.5597 108.3721 55.5466 47.4672 172.2960 30 D 4.4747 8.5100 126.6038 54.0008 42.2439 176.4167 31 A 3.6615 7.8683 121.9407 54.9536 18.4174 178.5886 32 F 4.9076 7.8988 109.9513 56.5410 40.3515 176.0553 33 C 4.1760 7.9739 119.5813 57.6356 39.8882 172.2773 34 S 4.5537 7.5973 119.1960 57.0431 64.5214 174.9162 35 S 4.5367 8.4405 114.9993 60.1638 62.5232 175.7149 36 R 4.3159 7.5747 117.8820 56.2490 30.0822 177.9622 37 G 3.8777 7.5831 105.0591 44.6200 0.0000 172.9555 38 K 4.5793 8.1984 122.3540 56.4948 33.1308 173.7821 39 V 4.6720 8.0900 123.5158 63.1791 34.5993 177.3795 40 V 4.2027 8.1897 114.2963 62.1452 32.3277 174.8227 41 E 5.0158 8.1032 127.0083 53.8065 28.5794 175.0646 42 L 4.0007 7.5703 124.3244 52.6707 44.3227 177.8102 43 G 4.6539 6.3144 108.1683 46.9403 0.0000 172.2025 44 C 5.5896 8.4599 122.3205 55.3041 37.8684 172.5950 45 A 4.3922 8.3271 121.0205 51.4983 21.9431 177.7787 46 A 4.1516 8.5881 123.1237 54.6992 18.6485 177.9076 47 T 4.5933 7.4894 101.8713 60.3673 70.9018 172.6508 48 C 3.9795 8.8019 120.2807 56.7265 39.6238 172.7040 49 P 4.5000 0.0000 0.0000 62.6377 31.0604 176.5272 50 S 4.2469 7.1198 112.4846 59.0927 64.2998 173.5802 51 K 4.4936 8.1107 122.8038 56.6915 31.2972 176.4282 52 K 4.5033 8.4952 122.9874 57.8897 36.5012 176.2427 53 P 4.2884 0.0000 0.0000 63.9269 30.2480 176.3624 54 Y 4.6756 7.3685 113.6969 56.0859 39.4581 177.4773 55 E 4.2460 7.5511 121.4143 57.0169 27.2288 173.9422 56 E 4.5241 8.5629 123.6148 54.9101 29.4780 174.9468 57 V 4.9543 7.8522 124.0694 61.1602 34.4690 174.3931 58 T 4.6817 7.9261 117.7211 62.9283 72.8193 172.6820 59 C 5.7041 8.3147 118.3506 55.5666 45.4492 174.2064 60 C 4.8342 8.2955 114.2504 56.8714 45.3969 174.0110 61 S 4.3619 8.9670 120.7479 58.5765 64.2127 174.3801 62 T 4.2271 7.5801 117.5721 62.5380 69.2195 173.4436 63 D 4.3521 8.4661 122.7530 55.5593 41.2014 177.1196 64 K 3.7593 8.5204 125.0524 57.7039 29.5871 174.2733 65 C 4.6758 8.1202 108.9857 55.7501 42.2368 173.4786 66 N 4.7842 7.9359 116.1993 52.8922 38.2079 174.0623 67 P 4.4516 0.0000 0.0000 61.2360 29.9814 175.2445 68 H 4.1035 8.4811 122.5341 55.7204 28.7506 173.8435 69 P 4.6589 0.0000 0.0000 61.6936 30.6204 174.5507 70 K 4.5960 8.0505 120.3143 57.3093 38.3292 177.2154 71 Q 4.1764 7.9970 117.4739 55.2922 26.4334 174.1682 72 R 4.3891 7.4965 118.3150 54.7948 33.0205 172.3333 73 P 4.4375 0.0000 0.0000 61.9651 32.3236 176.4657 74 G 4.0506 8.8027 108.2970 46.3985 0.0000 173.0871 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 I 8.02 4.23 1.86 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 1.23 1.12 0.91 0.00 0.00 2 V 8.34 4.44 2.04 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 0.79 0.00 0.00 0.92 0.00 0.00 3 C 9.34 4.98 0.00 2.77 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 4 H 8.26 5.93 0.00 3.18 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.40 5.01 4.27 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 1.29 0.00 0.00 6 T 8.59 4.61 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 1.20 0.00 0.00 7 A 8.46 4.73 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 4.09 4.27 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 1.26 0.00 0.00 9 S 5.81 4.45 0.00 3.87 3.88 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 0.00 0.00 0.00 10 P 0.00 4.28 0.00 2.22 2.21 0.00 3.74 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 2.08 1.96 0.00 11 I 7.48 4.52 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.56 0.89 0.00 0.00 12 S 8.16 4.68 0.00 3.91 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 13 A 8.66 5.46 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 14 V 8.00 4.51 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 1.00 0.00 0.00 0.94 0.00 0.00 15 T 8.59 4.19 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 1.27 0.00 0.00 16 C 8.51 4.83 0.00 2.96 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 17 P 0.00 4.55 0.00 2.18 2.09 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 18 P 0.00 4.26 0.00 2.20 2.11 0.00 3.76 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 1.99 1.97 0.00 19 G 8.51 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 1.98 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 0.00 2.44 2.38 0.00 21 N 8.21 4.61 0.00 2.78 2.87 0.00 0.00 6.79 7.74 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 22 L 7.65 4.49 0.00 1.83 1.78 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.59 5.40 0.00 3.03 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 24 Y 8.17 4.95 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 4.50 0.00 1.68 1.72 0.00 3.25 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 26 K 8.08 4.80 0.00 1.76 0.74 0.00 2.10 0.00 0.00 2.06 0.00 0.00 2.49 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.44 7.81 27 M 7.36 4.13 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 28 W 8.09 4.67 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 9.56 4.98 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.47 0.00 2.88 2.61 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 0.00 0.00 0.00 0.00 31 A 7.87 3.66 0.94 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 0.00 0.00 32 F 7.90 4.91 0.00 3.10 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 33 C 7.97 4.18 0.00 3.10 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 S 7.60 4.55 0.00 3.98 3.84 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 35 S 8.44 4.54 0.00 3.89 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 36 R 7.57 4.32 0.00 1.89 1.98 0.00 3.35 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 37 G 7.58 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.20 4.58 0.00 1.76 1.88 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.42 7.81 39 V 8.09 4.67 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 0.97 0.00 0.00 1.21 0.00 0.00 40 V 8.19 4.20 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.90 0.00 0.00 41 E 8.10 5.02 0.00 1.76 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 0.00 2.36 2.53 0.00 42 L 7.57 4.00 0.00 1.43 1.67 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.31 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 5.59 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.39 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.59 4.15 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 47 T 7.49 4.59 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 48 C 8.80 3.98 0.00 3.00 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 49 P 0.00 4.50 0.00 2.04 1.99 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.52 0.00 50 S 7.12 4.25 0.00 3.87 3.84 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 51 K 8.11 4.49 0.00 1.88 0.95 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.47 7.81 52 K 8.50 4.50 0.00 1.61 1.66 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.41 7.81 53 P 0.00 4.29 0.00 1.76 1.85 0.00 3.54 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 1.31 1.65 0.00 54 Y 7.37 4.68 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.55 4.25 0.00 1.95 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 0.00 2.59 2.23 0.00 56 E 8.56 4.52 0.00 2.24 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 2.27 2.27 0.00 57 V 7.85 4.95 2.16 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 1.01 0.00 0.00 0.93 0.00 0.00 58 T 7.93 4.68 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 59 C 8.31 5.70 0.00 2.81 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 60 C 8.30 4.83 0.00 3.01 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 61 S 8.97 4.36 0.00 3.99 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 T 7.58 4.23 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 63 D 8.47 4.35 0.00 2.66 2.62 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 64 K 8.52 3.76 0.00 1.89 1.94 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.42 7.81 65 C 8.12 4.68 0.00 3.06 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 66 N 7.94 4.78 0.00 2.65 2.90 0.00 0.00 7.01 8.01 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 67 P 0.00 4.45 0.00 2.13 2.03 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 68 H 8.48 4.10 0.00 3.21 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.66 0.00 2.17 2.12 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 70 K 8.05 4.60 0.00 1.67 1.83 0.00 0.61 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.54 7.81 71 Q 8.00 4.18 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 72 R 7.50 4.39 0.00 1.72 1.76 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 73 P 0.00 4.44 0.00 2.21 2.03 0.00 3.85 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 1.98 1.95 0.00 74 G 8.80 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00