NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7245 8.3649 120.5257 54.4137 43.5356 173.7230 2 D 4.4371 8.6696 122.6360 53.8215 40.5789 176.6360 3 E 4.2673 8.8929 134.6425 56.7780 31.8998 176.5968 4 S 4.5963 8.4663 112.4569 59.6160 63.1410 174.5793 5 S 4.4595 7.4382 115.4199 58.7266 62.6244 174.4708 6 K 3.6955 7.5773 119.8818 56.0968 32.1533 175.0777 7 P 4.2007 0.0000 0.0000 63.2017 30.7743 174.6538 8 C 4.7584 8.3045 121.4384 55.2974 45.1715 172.2486 9 C 4.8845 8.2700 115.1949 57.5407 43.9504 173.0995 10 D 4.5264 8.5523 117.2429 55.9561 45.4006 175.8813 11 Q 4.7586 7.7480 116.6063 54.6585 31.9880 174.9994 12 C 5.1990 8.4049 116.8006 55.6638 41.3449 173.7881 13 A 4.6845 8.6024 124.3118 51.0835 22.4006 174.5197 14 C 5.3603 8.8519 119.1982 55.2740 38.6038 173.2453 15 T 4.7077 8.2214 114.1168 60.0862 70.5747 173.4570 16 K 4.2980 8.7066 126.8937 56.0538 31.7434 176.3150 17 S 4.6301 8.2433 127.2736 57.7173 63.9187 176.8342 18 N 4.6302 8.3249 121.9621 53.2643 39.3556 172.3889 19 P 4.5257 0.0000 0.0000 60.9254 32.4261 174.7600 20 P 4.5732 0.0000 0.0000 63.4910 32.1060 175.2459 21 Q 4.7337 8.3540 118.5798 54.8067 32.7417 174.7544 22 C 4.7312 8.5354 117.6266 56.5087 39.0078 173.1108 23 R 4.6903 8.6509 126.0435 54.7386 31.4774 174.5397 24 C 5.0617 8.4165 125.7434 54.0691 46.8481 172.1930 25 S 3.5487 8.6854 112.9247 58.4345 60.5115 172.8371 26 D 4.1031 7.4720 114.8993 57.0293 40.4327 177.4899 27 M 3.9937 7.4423 120.4128 53.9132 35.8909 175.9725 28 R 4.3222 7.8212 116.0552 54.6662 33.0329 175.7768 29 L 4.4408 8.2522 129.3560 53.8665 43.1696 175.4751 30 N 4.7237 8.1852 120.4577 53.1907 45.7800 174.8485 31 S 4.6956 8.6209 104.8425 57.4318 67.2143 176.7964 32 C 4.7338 8.3910 126.3176 57.2241 39.5146 171.2583 33 H 4.6434 8.3527 120.4736 56.5549 29.9207 173.8043 34 S 4.6837 8.6377 114.5291 59.0096 63.2340 174.2270 35 A 4.4411 7.7028 121.9199 52.9645 20.0332 178.3859 36 C 5.0483 7.7534 116.8710 55.6796 45.2466 171.8235 37 K 4.2844 7.7563 114.2112 57.6487 33.1506 176.8643 38 S 4.4092 7.6594 117.1831 57.5906 65.0751 172.3121 39 C 5.1291 8.7816 127.9693 55.1706 43.3905 173.0757 40 I 4.4240 8.6980 127.1796 61.2516 38.4178 174.0700 41 C 5.2744 8.5855 123.7514 55.4489 42.4451 173.2130 42 A 4.5420 9.0592 128.4122 49.5758 19.8422 177.6997 43 L 4.2910 8.3146 126.1426 56.3167 42.2450 176.8616 44 S 4.9069 8.3834 112.5995 56.2268 65.7691 173.4074 45 Y 4.4058 8.6712 121.6785 56.7611 38.4000 173.7351 46 P 4.3653 0.0000 0.0000 62.1288 31.9961 175.7614 47 A 4.4169 8.0558 124.7091 51.8921 19.0210 176.1407 48 Q 4.7156 8.3664 119.4687 55.1965 32.9180 173.7419 49 C 5.4814 8.9064 123.2744 55.7347 48.4291 172.4641 50 F 4.9578 9.4916 120.7735 56.2313 43.3948 173.0753 51 C 5.1104 8.7835 119.6842 55.3665 41.9124 174.7800 52 V 4.0224 8.2236 117.2312 61.5101 31.2735 176.4296 53 D 4.6060 7.5560 119.7995 54.1618 41.6639 175.5662 54 I 4.7655 7.9807 124.6517 59.9672 41.6643 174.8462 55 T 4.5097 8.6266 117.0710 61.0668 69.6528 174.2048 56 D 5.0961 7.1929 121.6322 53.7384 41.9089 176.5880 57 F 4.6155 6.9173 110.5247 56.3567 41.7765 170.8384 58 C 3.4740 7.8206 125.4344 56.2126 41.9900 171.8929 59 Y 4.7191 7.1444 123.9142 58.1135 38.0864 176.8293 60 E 4.2078 8.7113 122.3810 55.5179 30.2353 175.0387 61 P 4.4093 0.0000 0.0000 62.7441 31.9097 176.6900 62 C 4.4664 8.4184 119.8975 57.2612 44.5187 172.4066 63 K 3.6184 8.4794 121.0327 56.2408 27.5656 173.4769 64 P 4.5184 0.0000 0.0000 62.5405 32.4466 176.5010 65 S 4.4989 7.8150 108.1036 57.9999 64.6423 176.3259 66 E 4.1366 8.9225 125.8422 57.6461 29.8865 177.5412 67 D 4.5638 7.5165 119.7509 56.9555 42.2206 177.6594 68 D 4.3030 8.3091 117.5484 54.9943 39.7774 177.4651 69 K 4.3547 8.6251 131.7343 56.4916 34.4953 174.8134 70 E 4.4938 8.9673 125.1531 55.9989 30.7781 174.3839 71 N 4.4602 8.4573 121.5083 53.6720 40.0283 173.5961 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 D 8.36 4.72 0.00 2.66 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 2 D 8.67 4.44 0.00 2.67 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 0.00 0.00 0.00 3 E 8.89 4.27 0.00 2.06 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 2.39 2.35 0.00 4 S 8.47 4.60 0.00 3.99 4.08 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 5 S 7.44 4.46 0.00 3.90 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 6 K 7.58 3.70 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 7 P 0.00 4.20 0.00 1.75 2.17 0.00 3.63 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 1.66 1.77 0.00 8 C 8.30 4.76 0.00 3.14 3.20 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 9 C 8.27 4.88 0.00 3.39 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 10 D 8.55 4.53 0.00 2.58 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 11 Q 7.75 4.76 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 12 C 8.40 5.20 0.00 2.76 2.89 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 13 A 8.60 4.68 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 14 C 8.85 5.36 0.00 2.79 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 15 T 8.22 4.71 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 16 K 8.71 4.30 0.00 1.66 1.78 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 17 S 8.24 4.63 0.00 4.02 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 18 N 8.32 4.63 0.00 2.61 2.68 0.00 0.00 6.84 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 19 P 0.00 4.53 0.00 2.23 2.06 0.00 3.83 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 2.00 1.96 0.00 20 P 0.00 4.57 0.00 2.08 2.10 0.00 3.73 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 21 Q 8.35 4.73 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 22 C 8.54 4.73 0.00 2.74 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 23 R 8.65 4.69 0.00 1.87 1.75 0.00 3.26 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.54 0.00 24 C 8.42 5.06 0.00 2.60 2.46 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 0.00 0.00 0.00 0.00 25 S 8.69 3.55 0.00 4.00 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 26 D 7.47 4.10 0.00 2.61 2.47 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 27 M 7.44 3.99 0.00 1.32 1.68 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.48 0.00 28 R 7.82 4.32 0.00 1.68 1.88 0.00 2.75 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 29 L 8.25 4.44 0.00 1.59 1.65 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.19 4.72 0.00 2.63 2.41 0.00 0.00 7.01 7.60 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 31 S 8.62 4.70 0.00 3.94 3.73 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 32 C 8.39 4.73 0.00 2.99 2.85 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 33 H 8.35 4.64 0.00 3.15 3.26 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 34 S 8.64 4.68 0.00 3.97 3.98 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 35 A 7.70 4.44 0.83 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 0.00 0.00 0.00 0.00 0.00 36 C 7.75 5.05 0.00 3.04 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 37 K 7.76 4.28 0.00 1.72 1.84 0.00 1.93 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 38 S 7.66 4.41 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.78 5.13 0.00 3.05 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 40 I 8.70 4.42 1.93 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 1.17 0.75 0.91 0.00 0.00 41 C 8.59 5.27 0.00 2.94 2.89 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 42 A 9.06 4.54 1.25 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 0.00 0.00 0.00 43 L 8.31 4.29 0.00 1.59 1.66 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.38 4.91 0.00 3.86 3.75 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 45 Y 8.67 4.41 0.00 2.93 2.94 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 46 P 0.00 4.37 0.00 2.18 2.11 0.00 3.84 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 2.01 2.00 0.00 47 A 8.06 4.42 1.10 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 48 Q 8.37 4.72 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 49 C 8.91 5.48 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.49 4.96 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.78 5.11 0.00 2.99 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 52 V 8.22 4.02 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 0.58 0.00 0.00 0.99 0.00 0.00 53 D 7.56 4.61 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 4.77 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 0.88 0.00 0.00 55 T 8.63 4.51 4.17 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 0.39 0.00 0.00 56 D 7.19 5.10 0.00 2.81 2.64 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 0.00 0.00 0.00 0.00 57 F 6.92 4.62 0.00 3.27 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 58 C 7.82 3.47 0.00 3.04 3.10 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 59 Y 7.14 4.72 0.00 3.10 2.85 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 60 E 8.71 4.21 0.00 2.03 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 2.36 2.40 0.00 61 P 0.00 4.41 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 62 C 8.42 4.47 0.00 3.12 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 63 K 8.48 3.62 0.00 1.97 1.89 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 64 P 0.00 4.52 0.00 2.16 2.09 0.00 3.55 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 1.99 2.08 0.00 65 S 7.82 4.50 0.00 3.81 3.68 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 0.00 0.00 0.00 0.00 66 E 8.92 4.14 0.00 1.98 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 2.30 2.38 0.00 67 D 7.52 4.56 0.00 2.82 2.72 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 0.00 0.00 0.00 0.00 68 D 8.31 4.30 0.00 2.65 2.47 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 69 K 8.63 4.35 0.00 1.63 1.67 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.48 7.81 70 E 8.97 4.49 0.00 1.90 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 2.19 2.33 0.00 71 N 8.46 4.46 0.00 2.82 2.69 0.00 0.00 7.00 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