NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3255 8.4401 120.2296 56.0393 31.7937 175.8016 2 A 4.3141 7.5496 122.2263 50.2791 18.9515 174.6619 3 E 4.4174 8.8795 123.3089 56.0157 30.2073 174.8207 4 K 4.4337 8.4871 121.9719 56.1426 32.5078 177.4134 5 C 4.8945 7.9516 116.4855 55.9006 41.7666 172.3248 6 T 4.3295 7.9058 109.0036 62.8634 70.3930 174.9446 7 K 3.8796 7.8916 123.2540 54.7998 32.7916 174.7657 8 P 4.3710 0.0000 0.0000 62.9762 31.6223 174.1159 9 N 3.2834 8.1202 113.7088 53.2379 37.6478 171.9942 10 E 3.8420 7.6749 130.6759 56.7094 30.4338 175.9523 11 Q 4.7186 8.9212 125.4929 52.9819 33.1838 174.0770 12 W 4.4706 8.7575 132.3946 57.9406 31.4766 175.0873 13 T 4.2198 7.2548 121.3375 60.4661 69.7189 174.1255 14 K 3.5303 8.9411 128.8739 59.1943 32.3831 177.5534 15 C 4.8758 7.8940 124.5355 55.1161 41.8209 173.0761 16 G 3.8707 8.0899 124.9082 46.3445 0.0000 170.9117 17 G 4.0632 8.4828 112.7028 45.0127 0.0000 175.7314 18 C 4.7478 8.9236 122.3116 57.1835 42.7107 171.9935 19 E 4.3429 7.9733 122.0387 56.9293 35.4055 175.1705 20 G 4.6272 8.8889 104.3413 43.4878 0.0000 170.7954 21 T 4.9086 8.3766 110.0217 59.2049 72.3660 173.9099 22 C 4.2829 8.7229 118.1825 57.4371 43.4170 173.2380 23 A 4.5463 7.8606 119.0835 52.5902 20.6824 176.8292 24 Q 4.5408 8.2273 114.8535 53.0509 29.6431 175.2526 25 K 3.7909 8.3756 122.8089 58.7232 32.7370 175.6842 26 I 4.9092 7.6064 118.1360 59.3265 39.9182 175.1594 27 V 4.3838 7.9866 127.0987 59.1385 33.0254 174.2388 28 P 4.3805 0.0000 0.0000 63.3574 31.6816 176.6586 29 C 4.8149 8.6023 122.1626 55.2317 44.2121 175.3439 30 T 4.1233 8.3795 115.6022 61.7173 68.0301 174.6139 31 R 4.2426 7.9879 117.2224 57.1136 30.1307 177.5096 32 E 4.3428 7.8442 116.1523 55.3762 28.5045 177.3636 33 C 4.8813 7.5931 115.8540 55.6660 39.1482 175.9500 34 K 4.3979 8.5782 124.0373 55.2778 33.0536 174.9262 35 P 4.7120 0.0000 0.0000 61.8922 32.1019 174.2002 36 P 4.2890 0.0000 0.0000 62.4627 31.5894 175.5248 37 R 4.0863 6.6170 120.3145 55.5037 34.5467 172.5162 38 C 4.5068 8.8736 121.1517 57.6252 37.2783 172.8133 39 E 4.4394 8.8008 124.0105 55.7527 33.3326 173.4447 40 C 4.5306 8.6703 119.5772 56.7702 39.2695 173.8065 41 I 4.5982 7.8638 121.5333 59.6432 39.5527 176.2467 42 A 4.1076 9.8520 132.3415 54.9676 18.5407 179.3213 43 S 4.1735 8.1967 108.7493 60.4567 62.7095 174.5891 44 A 4.3635 8.9455 121.7540 54.4874 19.3854 176.4153 45 G 3.4218 7.3285 104.5403 45.1829 0.0000 172.7965 46 F 4.5014 7.8714 119.4030 56.6780 39.8895 175.7263 47 V 4.5710 8.7528 115.5861 59.5361 35.8503 174.9512 48 R 4.7727 8.5292 123.0277 54.7414 30.6677 176.2302 49 D 4.4721 9.1491 124.7822 54.0973 41.9832 177.0805 50 A 3.6748 8.4421 125.6869 55.5855 18.3793 178.7003 51 Q 4.3229 8.3152 112.6920 55.7309 28.6125 175.8239 52 G 3.8175 8.4733 105.8742 46.8972 0.0000 174.2123 53 N 4.7857 7.8919 117.2288 51.0144 40.7131 175.4951 54 C 4.9833 8.8053 125.5478 56.7719 43.1358 172.5380 55 I 5.4305 9.0295 119.6837 58.7920 41.0538 174.8481 56 K 3.8165 9.1810 123.1557 56.3677 32.7199 177.7125 57 F 3.9438 8.0908 122.6799 61.1876 39.6804 176.6244 58 E 4.1919 8.1775 117.8633 58.7648 29.7871 177.5118 59 D 4.7214 7.6118 118.5974 54.8055 40.5190 175.7462 60 C 4.6030 7.7064 116.7457 55.4297 41.0930 172.3873 61 P 4.3983 0.0000 0.0000 62.3777 31.2660 176.8678 62 K 4.1735 8.4668 117.2965 57.7422 32.7363 176.6850 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 E 8.44 4.33 0.00 1.98 2.06 0.00 0.00 0.00 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 2.33 0.00 2 A 7.55 4.31 1.17 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 0.00 0.00 3 E 8.88 4.42 0.00 1.99 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 2.31 2.36 0.00 4 K 8.49 4.43 0.00 1.66 1.73 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.13 7.81 5 C 7.95 4.89 0.00 2.98 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 6 T 7.91 4.33 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 7 K 7.89 3.88 0.00 1.73 1.81 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.53 7.81 8 P 0.00 4.37 0.00 2.21 2.12 0.00 3.92 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 2.00 2.01 0.00 9 N 8.12 3.28 0.00 2.79 2.49 0.00 0.00 6.78 7.75 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 10 E 7.67 3.84 0.00 1.79 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 11 Q 8.92 4.72 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 12 W 8.76 4.47 0.00 3.50 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 13 T 7.25 4.22 4.06 0.00 0.00 0.00 0.00 0.00 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 14 K 8.94 3.53 0.00 1.90 1.85 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.76 7.81 15 C 7.89 4.88 0.00 2.89 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 16 G 8.09 3.87 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 0.00 0.00 0.00 17 G 8.48 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.75 0.00 2.96 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 4.34 0.00 2.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 20 G 8.89 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 4.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 22 C 8.72 4.28 0.00 2.87 3.15 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 0.00 23 A 7.86 4.55 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.54 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 25 K 8.38 3.79 0.00 1.97 1.95 0.00 1.75 0.00 0.00 2.10 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.78 1.71 7.81 26 I 7.61 4.91 1.89 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 1.44 1.09 0.93 0.00 0.00 27 V 7.99 4.38 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 0.82 0.00 0.00 0.93 0.00 0.00 28 P 0.00 4.38 0.00 2.09 2.13 0.00 3.74 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 2.01 0.00 29 C 8.60 4.81 0.00 2.92 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 30 T 8.38 4.12 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 31 R 7.99 4.24 0.00 1.84 1.98 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 32 E 7.84 4.34 0.00 1.94 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 2.25 2.31 0.00 33 C 7.59 4.88 0.00 2.83 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 34 K 8.58 4.40 0.00 1.65 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.35 7.81 35 P 0.00 4.71 0.00 2.03 2.06 0.00 3.72 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 1.95 1.95 0.00 36 P 0.00 4.29 0.00 2.38 2.19 0.00 3.43 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 37 R 6.62 4.09 0.00 1.74 1.55 0.00 3.03 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.39 0.00 38 C 8.87 4.51 0.00 2.91 3.02 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 0.00 0.00 0.00 0.00 39 E 8.80 4.44 0.00 1.78 1.63 0.00 0.00 0.00 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 2.12 0.00 40 C 8.67 4.53 0.00 2.94 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 41 I 7.86 4.60 2.01 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 1.03 0.00 0.00 42 A 9.85 4.11 1.36 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 43 S 8.20 4.17 0.00 3.88 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 44 A 8.95 4.36 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.33 3.42 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 46 F 7.87 4.50 0.00 3.17 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 47 V 8.75 4.57 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.61 0.00 0.00 48 R 8.53 4.77 0.00 1.63 1.85 0.00 3.15 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 49 D 9.15 4.47 0.00 2.65 2.53 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 50 A 8.44 3.67 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 51 Q 8.32 4.32 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 52 G 8.47 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 0.00 0.00 0.00 53 N 7.89 4.79 0.00 2.67 2.75 0.00 0.00 6.60 7.72 0.00 0.00 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 C 8.81 4.98 0.00 2.95 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 55 I 9.03 5.43 1.92 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 1.54 2.09 0.96 0.00 0.00 56 K 9.18 3.82 0.00 2.04 1.68 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.64 7.81 57 F 8.09 3.94 0.00 3.14 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 58 E 8.18 4.19 0.00 2.20 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 0.00 2.34 2.34 0.00 59 D 7.61 4.72 0.00 2.85 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 60 C 7.71 4.60 0.00 3.24 3.07 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 0.00 0.00 0.00 0.00 61 P 0.00 4.40 0.00 2.07 2.06 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 62 K 8.47 4.17 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81