NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8484 8.3501 109.7336 44.7930 0.0000 173.7640 3 A 4.3383 7.7548 121.6217 49.8179 19.5617 175.7662 4 Q 4.4294 9.1843 118.7546 54.3632 31.6986 173.2171 5 V 4.2521 8.3557 124.0995 62.2768 33.0154 174.4656 6 S 4.4798 8.1119 119.7475 56.9672 66.6301 172.6617 7 T 4.6038 8.1577 118.9675 63.4600 69.2771 175.4002 8 Q 4.6162 9.2947 125.3396 55.1468 31.4230 174.5884 9 K 4.2631 8.4739 121.3499 55.5422 32.2284 175.6253 10 T 3.7470 8.2118 120.2826 62.2058 68.1319 172.8633 11 G 4.0961 8.3117 121.2127 44.7129 0.0000 171.9764 12 A 3.9282 8.3413 124.1760 54.4889 18.5850 178.3867 13 H 4.6139 8.2766 118.3232 53.5511 29.0688 173.1897 14 E 4.6979 7.5744 121.5039 53.1441 33.3359 175.3062 15 N 4.2556 8.5985 116.2962 53.6946 39.1601 175.2594 16 Q 4.0866 9.0725 119.4953 57.1676 29.5960 179.2556 17 N 3.9667 8.2237 118.5814 55.9616 39.2284 177.0312 18 V 3.4866 8.4087 118.4156 62.9900 31.3604 176.3774 19 A 4.0451 7.6981 121.4097 52.9503 17.0841 176.7028 20 A 4.7708 7.5762 116.9565 52.3458 18.8771 179.6073 21 N 4.6667 7.8273 118.6254 53.5450 40.8409 176.0719 22 G 4.0394 8.7191 108.1096 45.6299 0.0000 171.5917 23 S 4.4917 8.3607 113.0226 58.5718 63.6611 175.5256 24 T 4.3317 7.7803 109.8065 62.9855 68.6310 174.3284 25 I 4.8973 7.5406 123.3796 60.5558 38.6642 174.2749 26 N 5.6020 8.4167 118.8024 51.5351 41.1041 173.7707 27 Y 4.9449 8.6770 121.2808 55.5707 41.1488 174.8058 28 T 4.8507 8.6390 117.8691 62.8256 70.8640 174.2881 29 T 4.6935 8.3981 119.8119 62.1076 73.0022 173.1754 30 I 4.5895 8.0484 125.8257 59.1610 40.1999 175.0085 31 N 4.1847 8.6689 125.1735 53.6143 38.9149 174.9667 32 Y 4.4961 8.2970 119.0660 58.3713 39.5166 175.4311 33 Y 4.7983 7.6906 115.9701 55.9773 40.0776 176.0333 34 K 4.1612 8.7524 120.8813 58.3398 32.7530 176.9287 35 D 4.9233 7.9761 119.6161 52.2606 42.5453 176.9497 36 S 4.0850 9.0076 120.7261 61.7146 63.0942 176.4360 37 A 4.1260 8.1973 121.4585 55.5590 17.9423 178.6262 38 S 4.2010 8.0601 109.9775 60.3467 63.0613 174.5857 39 N 4.6260 8.2468 118.2459 52.6253 38.8540 175.1942 40 S 4.3511 8.3155 116.0515 58.0843 63.6486 173.9882 41 A 4.1391 8.2983 123.9495 52.4482 18.5552 177.8414 42 T 4.0655 8.2574 111.7569 61.2068 69.5063 174.4737 43 R 3.9328 8.4821 121.9508 56.4228 30.5940 176.4712 44 Q 3.8243 8.7651 122.5784 56.7747 29.2045 175.3423 45 D 4.7873 8.6333 124.4824 52.8435 42.2966 174.5846 46 L 4.5553 8.4218 126.2480 54.4949 41.8315 177.3831 47 S 4.3840 8.9564 114.6802 58.5018 63.5608 173.4786 48 Q 4.5568 7.7095 115.9507 56.1273 30.7066 173.6210 49 D 4.7215 7.8298 118.0658 51.3692 41.2717 173.8896 50 P 4.4102 0.0000 0.0000 65.0809 32.2496 179.1250 51 S 4.2651 8.1431 114.3185 61.1249 62.8318 176.0448 52 K 3.9874 7.3915 117.5321 58.2596 32.3252 177.3898 53 F 5.0447 7.6735 116.9495 58.7411 41.2980 176.0047 54 T 4.4607 8.3735 108.4952 62.5087 68.9902 175.6708 55 E 4.7388 8.2813 123.6894 54.7820 31.0191 175.3802 56 P 4.7444 0.0000 0.0000 62.1255 30.5437 176.6586 57 V 3.8828 8.7093 118.8872 62.0149 31.8517 175.4947 58 K 3.9815 7.9965 123.5306 59.3410 32.7183 176.2791 59 D 4.4882 7.6789 119.1966 53.8432 41.6840 176.0600 60 L 4.3005 8.3932 126.3353 54.4563 43.0351 175.4610 61 M 4.7627 8.4558 122.4810 53.0960 33.7750 174.7364 62 L 4.6716 7.9003 121.1335 54.4075 42.1842 177.7346 63 K 4.2887 7.6611 120.3517 59.3832 32.8185 177.1688 64 T 3.8097 7.8418 111.1358 63.5333 68.8106 173.5859 65 A 4.5519 7.9605 125.2304 49.5879 21.1310 174.4936 66 P 4.3603 0.0000 0.0000 62.1235 31.2751 176.6748 67 A 3.9992 8.8076 127.5585 54.3416 18.2985 176.6914 68 L 4.5471 7.7166 114.6789 53.1673 42.9079 175.9691 69 N 4.4981 8.6132 121.1700 53.4951 38.9202 174.6524 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 G 8.35 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 0.00 0.00 0.00 3 A 7.75 4.34 1.24 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 0.00 0.00 0.00 4 Q 9.18 4.43 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 5 V 8.36 4.25 2.00 0.00 0.00 0.00 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 0.88 0.00 0.00 6 S 8.11 4.48 0.00 3.56 2.63 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 7 T 8.16 4.60 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 1.23 0.00 0.00 8 Q 9.29 4.62 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 9 K 8.47 4.26 0.00 1.71 1.74 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 T 8.21 3.75 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 11 G 8.31 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.34 3.93 1.24 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 0.00 0.00 0.00 13 H 8.28 4.61 0.00 3.07 3.27 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.57 4.70 0.00 2.07 1.82 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 2.12 2.39 0.00 15 N 8.60 4.26 0.00 2.70 2.94 0.00 0.00 6.85 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 16 Q 9.07 4.09 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.53 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 17 N 8.22 3.97 0.00 2.85 2.81 0.00 0.00 6.80 7.68 0.00 0.00 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 V 8.41 3.49 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 0.81 0.00 0.00 0.93 0.00 0.00 19 A 7.70 4.05 1.37 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 20 A 7.58 4.77 1.24 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 0.00 0.00 0.00 21 N 7.83 4.67 0.00 2.92 2.73 0.00 0.00 7.47 7.65 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 22 G 8.72 4.04 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 0.00 0.00 0.00 23 S 8.36 4.49 0.00 4.00 4.10 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 0.00 0.00 0.00 0.00 24 T 7.78 4.33 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 25 I 7.54 4.90 1.88 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 1.39 1.53 0.97 0.00 0.00 26 N 8.42 5.60 0.00 2.66 2.65 0.00 0.00 6.92 7.46 0.00 0.00 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 Y 8.68 4.94 0.00 2.98 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 28 T 8.64 4.85 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 1.21 0.00 0.00 29 T 8.40 4.69 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 1.21 0.00 0.00 30 I 8.05 4.59 1.58 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.80 0.00 0.00 31 N 8.67 4.18 0.00 2.64 2.74 0.00 0.00 7.08 7.46 0.00 0.00 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 Y 8.30 4.50 0.00 2.40 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 33 Y 7.69 4.80 0.00 2.98 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 34 K 8.75 4.16 0.00 1.79 1.91 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.56 7.81 35 D 7.98 4.92 0.00 2.71 2.59 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 0.00 0.00 0.00 36 S 9.01 4.08 0.00 3.89 3.95 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 37 A 8.20 4.13 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 38 S 8.06 4.20 0.00 3.99 3.60 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 0.00 0.00 0.00 0.00 39 N 8.25 4.63 0.00 2.72 2.77 0.00 0.00 6.98 7.43 0.00 0.00 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 S 8.32 4.35 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.30 4.14 1.24 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 0.00 0.00 0.00 42 T 8.26 4.07 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 1.22 0.00 0.00 43 R 8.48 3.93 0.00 1.83 1.96 0.00 3.31 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 44 Q 8.77 3.82 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 45 D 8.63 4.79 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.56 0.00 1.66 1.67 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.96 4.38 0.00 3.94 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 48 Q 7.71 4.56 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.33 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 49 D 7.83 4.72 0.00 2.65 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.23 2.16 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 51 S 8.14 4.27 0.00 4.03 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 52 K 7.39 3.99 0.00 1.44 1.63 0.00 1.10 0.00 0.00 1.14 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.08 0.21 7.81 53 F 7.67 5.04 0.00 3.18 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 54 T 8.37 4.46 4.28 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 1.30 0.00 0.00 55 E 8.28 4.74 0.00 1.99 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 2.24 2.25 0.00 56 P 0.00 4.74 0.00 2.19 2.29 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 57 V 8.71 3.88 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 0.73 0.00 0.00 1.03 0.00 0.00 58 K 8.00 3.98 0.00 1.74 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 D 7.68 4.49 0.00 2.71 2.59 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 0.00 0.00 0.00 60 L 8.39 4.30 0.00 1.58 1.55 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 M 8.46 4.76 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 62 L 7.90 4.67 0.00 1.82 1.80 0.92 0.52 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 63 K 7.66 4.29 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 T 7.84 3.81 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 65 A 7.96 4.55 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 66 P 0.00 4.36 0.00 2.05 2.02 0.00 3.71 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 2.02 2.07 0.00 67 A 8.81 4.00 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 68 L 7.72 4.55 0.00 1.60 1.61 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.61 4.50 0.00 2.67 2.68 0.00 0.00 7.08 7.56 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