NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9872 8.3393 109.7417 44.9484 0.0000 175.1931 2 P 4.1252 0.0000 0.0000 63.6191 32.4017 174.7301 3 A 4.8904 7.8883 119.0784 49.7032 23.0576 175.8652 4 S 4.4769 8.5388 110.1450 59.7064 63.9779 173.7713 5 V 4.5068 7.2145 117.2647 63.3435 38.8073 171.7473 6 P 4.3279 0.0000 0.0000 62.6194 31.1815 176.6066 7 T 4.3575 8.3358 115.2321 61.0174 67.6088 173.6423 8 T 4.7543 7.9523 122.5317 64.5200 75.3045 174.8125 9 C 4.7786 7.5321 116.5432 55.2608 44.4947 174.7881 10 C 4.4976 8.2274 118.6581 57.5728 40.4842 173.5085 11 F 4.5147 8.5505 118.5734 59.0924 41.3766 175.3984 12 N 4.7148 8.1553 121.3319 51.7277 37.5093 174.2254 13 L 4.2036 8.2009 124.0232 54.3108 42.5462 177.1007 14 A 4.4188 8.3909 124.2623 52.0834 19.2932 177.1810 15 N 4.7605 8.6933 119.7412 54.8889 40.2771 175.5659 16 R 3.9414 7.6728 117.6862 54.7092 30.4532 176.3323 17 K 2.0000 7.9329 122.9472 56.3829 32.8798 176.4031 18 I 3.9503 6.7962 123.9404 59.3888 38.2554 173.9885 19 P 4.4915 0.0000 0.0000 62.1647 32.6312 176.3968 20 L 4.0816 8.1829 119.0250 57.6334 41.8970 179.4161 21 Q 3.9809 8.0011 118.2474 58.6637 29.2312 176.8281 22 R 4.2754 7.7986 116.2620 56.9513 30.7777 175.6481 23 L 4.5743 7.6321 117.8051 55.4569 41.7124 176.1933 24 E 4.6704 9.3999 124.0226 57.6504 32.1533 175.2815 25 S 4.9849 7.8751 111.6144 58.5523 66.0731 173.7336 26 Y 5.4219 8.6748 116.4143 56.0405 40.9273 174.3280 27 R 4.2247 9.3900 121.4981 54.6861 33.5362 173.6834 28 R 4.9224 8.3682 126.0199 54.6706 32.8333 174.9161 29 I 4.5764 8.0897 124.4643 59.5544 41.1407 176.5981 30 T 4.2413 7.9167 118.3795 61.3634 67.7750 173.6131 31 S 4.3963 8.1504 115.9859 57.4758 63.7864 172.9554 32 G 3.9443 8.4693 107.3922 46.0235 0.0000 174.1583 33 K 4.5941 7.7910 118.5464 56.4635 32.6456 176.7593 34 C 5.1266 7.8301 114.6806 54.5452 43.9016 172.6674 35 P 4.2899 0.0000 0.0000 64.7798 31.5948 175.7330 36 Q 4.6543 7.6523 115.5698 53.7251 32.8915 173.6689 37 K 4.6291 8.0353 117.0331 55.6053 35.4195 175.4920 38 A 4.3976 7.8118 122.0596 51.7014 23.3637 174.7045 39 V 4.6840 8.8690 116.3527 61.3056 35.3160 175.1810 40 I 4.9046 8.5384 124.4780 59.5379 40.8011 174.6742 41 F 5.4781 9.4218 125.4239 55.8594 42.1512 174.8177 42 K 5.1441 9.4220 121.0170 55.2554 35.4530 176.7746 43 T 4.7288 8.2177 115.9955 61.0128 71.1301 174.6149 44 K 4.5581 8.2924 123.3538 57.2294 32.2249 177.3444 45 L 4.6464 7.4600 114.3166 53.3747 42.3396 176.3325 46 A 3.8256 8.2211 118.9232 53.2691 16.0808 178.2417 47 K 4.7429 7.8451 116.8822 56.0999 36.0953 175.2469 48 D 5.5340 8.5912 120.9873 52.7939 43.9028 175.5055 49 I 4.8549 9.1615 121.4176 59.8114 41.9877 174.2378 50 C 4.9718 8.8567 121.2070 57.0441 40.4235 172.5011 51 A 5.1194 9.1890 121.8951 51.0863 22.7589 175.4431 52 D 4.9825 8.5983 121.5745 51.2969 41.9212 175.0420 53 P 4.6306 0.0000 0.0000 63.2247 31.3920 176.4678 54 K 4.3995 7.6010 115.0710 56.4308 32.2424 176.0896 55 K 4.4267 7.3837 119.7221 54.8213 34.1138 177.2515 56 K 4.0690 8.3042 119.0620 59.0852 32.8993 178.7429 57 W 4.3406 7.7879 117.0066 58.4849 28.4843 178.6816 58 V 3.1629 6.3241 118.8916 65.4812 30.9886 177.5843 59 Q 3.9365 7.4783 119.2580 59.3457 28.9798 177.8144 60 D 4.4340 7.8155 119.1590 57.1992 41.1194 178.3965 61 S 4.0068 8.0263 115.9333 61.7581 62.8070 176.2562 62 M 3.7027 8.8611 121.8093 58.6541 32.0369 178.4262 63 K 3.9901 8.5410 119.0185 59.3257 32.0408 178.7557 64 Y 4.1112 8.3301 120.2298 60.8307 38.7569 178.1904 65 L 3.5628 8.0269 120.1806 57.8010 41.4325 179.3176 66 D 4.3791 8.1828 118.1417 57.0626 40.7412 178.3975 67 Q 4.0700 8.0352 119.7392 58.9593 29.3353 177.5917 68 K 3.8858 8.3237 120.4073 58.3585 32.5340 177.3561 69 S 4.2108 7.8080 113.4649 57.7750 62.9761 172.1064 70 P 4.3777 0.0000 0.0000 64.0837 31.7971 176.1269 71 T 4.0902 7.0623 110.3135 59.9657 69.6444 170.6309 72 P 4.6526 0.0000 0.0000 62.0113 32.9035 175.2847 73 K 4.3424 7.9429 125.3048 56.8833 34.9198 173.3815 74 P 4.4147 0.0000 0.0000 62.9268 31.4972 175.7921 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 G 8.34 3.99 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 0.00 0.00 0.00 2 P 0.00 4.13 0.00 2.30 2.33 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 3 A 7.89 4.89 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 4 S 8.54 4.48 0.00 3.82 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 5 V 7.21 4.51 2.07 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 0.76 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.33 0.00 2.30 2.07 0.00 3.82 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 1.97 1.80 0.00 7 T 8.34 4.36 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 1.24 0.00 0.00 8 T 7.95 4.75 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 1.24 0.00 0.00 9 C 7.53 4.78 0.00 2.63 2.54 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 10 C 8.23 4.50 0.00 2.80 2.93 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 0.00 0.00 0.00 11 F 8.55 4.51 0.00 3.07 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 12 N 8.16 4.71 0.00 2.77 2.84 0.00 0.00 7.03 7.82 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 13 L 8.20 4.20 0.00 1.77 1.84 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.39 4.42 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.69 4.76 0.00 2.74 2.84 0.00 0.00 7.21 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 16 R 7.67 3.94 0.00 1.68 1.66 0.00 3.31 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 17 K 7.93 2.00 0.00 1.50 1.30 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.24 7.81 18 I 6.80 3.95 1.73 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.09 0.86 0.00 0.00 19 P 0.00 4.49 0.00 2.10 1.96 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 20 L 8.18 4.08 0.00 1.39 1.07 0.19 0.30 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 21 Q 8.00 3.98 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 R 7.80 4.28 0.00 1.90 1.87 0.00 3.28 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 23 L 7.63 4.57 0.00 1.76 1.71 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.40 4.67 0.00 2.00 1.99 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 2.25 2.25 0.00 25 S 7.88 4.98 0.00 3.98 4.02 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 26 Y 8.67 5.42 0.00 2.97 3.26 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 0.00 27 R 9.39 4.22 0.00 1.67 1.62 0.00 2.98 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 28 R 8.37 4.92 0.00 1.74 1.66 0.00 3.18 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.79 0.00 29 I 8.09 4.58 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 0.84 0.00 0.00 30 T 7.92 4.24 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 1.17 0.00 0.00 31 S 8.15 4.40 0.00 3.83 3.77 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 32 G 8.47 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 0.00 0.00 0.00 33 K 7.79 4.59 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 34 C 7.83 5.13 0.00 2.86 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 35 P 0.00 4.29 0.00 2.36 2.29 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 36 Q 7.65 4.65 0.00 1.80 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 37 K 8.04 4.63 0.00 1.72 1.69 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.36 7.81 38 A 7.81 4.40 1.23 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 0.00 0.00 39 V 8.87 4.68 1.86 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 0.50 0.00 0.00 0.84 0.00 0.00 40 I 8.54 4.90 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.92 0.00 0.00 41 F 9.42 5.48 0.00 3.19 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 42 K 9.42 5.14 0.00 1.82 1.79 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.45 7.81 43 T 8.22 4.73 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 K 8.29 4.56 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.42 7.81 45 L 7.46 4.65 0.00 1.60 1.61 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.22 3.83 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 47 K 7.85 4.74 0.00 1.77 1.68 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.38 7.81 48 D 8.59 5.53 0.00 2.56 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 49 I 9.16 4.85 2.07 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 1.32 0.98 1.03 0.00 0.00 50 C 8.86 4.97 0.00 3.16 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 51 A 9.19 5.12 1.33 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 0.00 0.00 0.00 52 D 8.60 4.98 0.00 2.68 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 53 P 0.00 4.63 0.00 2.15 2.13 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 54 K 7.60 4.40 0.00 1.88 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.33 7.81 55 K 7.38 4.43 0.00 1.07 1.28 0.00 1.95 0.00 0.00 2.02 0.00 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.40 7.81 56 K 8.30 4.07 0.00 2.01 2.08 0.00 1.56 0.00 0.00 1.93 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.68 7.81 57 W 7.79 4.34 0.00 3.60 3.33 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 0.00 58 V 6.32 3.16 1.58 0.00 0.00 0.00 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 -1.06 0.00 0.00 59 Q 7.48 3.94 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 60 D 7.82 4.43 0.00 2.97 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 61 S 8.03 4.01 0.00 3.73 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 62 M 8.86 3.70 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.87 0.00 63 K 8.54 3.99 0.00 1.94 1.86 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.56 7.81 64 Y 8.33 4.11 0.00 3.03 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 65 L 8.03 3.56 0.00 0.82 1.44 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.18 4.38 0.00 2.73 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 67 Q 8.04 4.07 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 68 K 8.32 3.89 0.00 1.07 1.41 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.29 7.81 69 S 7.81 4.21 0.00 3.95 3.77 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 70 P 0.00 4.38 0.00 2.21 2.14 0.00 3.86 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 71 T 7.06 4.09 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 72 P 0.00 4.65 0.00 2.20 2.05 0.00 3.90 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 1.97 1.98 0.00 73 K 7.94 4.34 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.22 7.81 74 P 0.00 4.41 0.00 2.16 2.01 0.00 3.78 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 1.96 1.94 0.00