NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2896 8.3349 115.2921 57.7401 64.1796 173.4504 3 R 3.6139 8.1623 113.5718 56.3172 27.2653 171.3456 4 V 4.3974 7.4707 116.5813 60.8318 35.3290 174.1209 5 C 3.7843 8.2931 126.8759 60.6246 31.6797 174.3973 6 Q 4.1987 8.3029 123.0539 56.2716 28.4174 174.2240 7 V 4.0549 7.5915 114.7553 62.8116 32.3606 176.5161 8 T 4.5260 7.5613 107.2474 59.9570 69.7611 173.5449 9 G 3.8897 8.1119 108.4758 46.6911 0.0000 175.0577 10 K 4.1692 7.7361 120.8438 54.9982 31.3155 176.0098 11 R 4.5585 8.0691 125.1420 54.1194 31.3102 174.8673 12 P 4.7378 0.0000 0.0000 61.7354 31.3074 176.6157 13 V 4.2314 8.2725 117.2664 61.0711 33.4437 175.1742 14 T 4.8409 8.0318 111.9272 60.6678 71.7866 173.4277 15 G 4.3136 7.8189 106.1281 46.5206 0.0000 171.5349 16 N 5.4720 8.8479 116.3975 51.4903 40.6517 175.3034 17 N 4.2515 9.1197 120.6538 54.2286 39.1538 175.7583 18 R 3.6727 7.8683 116.2877 56.9344 28.4269 174.4694 19 S 4.2994 7.5482 112.9965 58.1007 63.9912 173.2075 20 H 4.1877 8.4972 119.8378 57.2950 29.7621 175.0809 21 A 3.6306 8.6449 122.7973 51.6411 17.1766 177.1355 22 L 3.5298 7.4898 114.1196 55.3806 38.7191 174.3278 23 N 4.9404 7.6480 111.9416 51.1902 40.2320 176.9478 24 A 4.1674 8.7611 126.4809 52.5861 19.6552 177.2141 25 T 4.1501 8.4121 105.1411 60.5169 70.5300 171.7323 26 K 4.3601 8.8410 127.0133 57.9986 32.1378 175.7292 27 R 4.3265 8.8801 120.3342 57.0443 31.4539 172.9853 28 R 4.1069 7.9244 122.4484 55.0558 30.5366 175.1853 29 F 4.8352 9.3189 121.1279 55.5409 40.9015 174.8376 30 L 4.8544 8.1519 122.9867 52.9315 42.9910 174.5033 31 P 4.3423 0.0000 0.0000 62.7544 31.2042 175.2284 32 N 4.3564 8.0809 117.6994 52.6744 39.4646 172.2407 33 L 3.6720 7.6040 123.6772 55.4843 41.5421 175.0467 34 H 4.5696 9.1214 114.1465 55.8127 32.9631 174.1592 35 S 4.1957 7.9973 109.9876 58.5793 60.9586 170.8499 36 H 4.5068 8.1463 126.2288 55.3731 32.2367 173.5555 37 R 4.2383 7.3104 122.8829 54.9440 30.2484 175.1030 38 F 5.0314 9.1980 126.1868 56.0295 41.3998 175.3701 39 W 5.5219 9.1446 132.4209 55.6612 30.2408 175.9356 40 V 3.0098 8.2031 120.1120 62.5215 31.5337 175.8353 41 E 2.6595 6.4107 123.7114 56.6034 29.6398 176.1626 42 S 3.9824 7.7053 112.2660 61.2272 62.8217 174.8374 43 E 4.0477 7.8892 119.1132 55.1575 29.6931 175.9686 44 K 3.7230 7.6667 117.5179 57.7007 31.4142 174.0392 45 R 4.7930 6.7973 115.1374 53.4320 33.3705 174.9853 46 F 6.1207 8.4495 125.9379 56.6755 37.1972 175.9195 47 V 4.0819 7.9401 115.0831 61.8923 33.3854 176.5553 48 T 5.1726 8.6362 118.0229 60.4050 69.9491 172.7616 49 L 5.0061 8.8547 127.0601 52.3030 46.3210 175.9637 50 R 4.5562 8.4136 118.1828 56.2643 30.6416 176.8394 51 V 3.9159 8.0022 115.5653 63.0312 32.2202 174.5176 52 S 5.0578 8.2905 118.1338 55.6666 65.8113 173.1530 53 A 4.0121 8.4217 124.1696 53.5364 19.0320 177.3507 54 K 4.2461 9.1243 125.9305 57.9061 31.4400 178.5594 55 G 3.6878 7.6012 104.1232 47.2620 0.0000 174.8927 56 M 3.9853 8.0451 120.0953 58.2914 32.4951 178.0888 57 R 4.0255 8.1729 118.3611 58.6820 30.0165 179.2038 58 V 3.6312 7.2013 118.1570 66.0960 31.7361 177.8649 59 I 3.5441 7.7078 118.9685 64.5793 36.7509 177.2643 60 D 4.7235 7.7235 115.4650 54.9036 40.7245 176.9435 61 K 4.3607 7.3075 118.2839 57.7121 33.8482 177.3800 62 K 4.3372 9.1822 118.1788 56.0648 32.5560 176.5096 63 G 5.0020 6.7039 114.1655 44.4981 0.0000 173.4180 64 I 3.5361 7.9296 126.3284 64.0864 36.9216 177.6158 65 D 4.4368 7.8008 118.4503 56.2431 41.4467 178.7659 66 T 3.8458 7.5218 116.0386 66.2612 68.5352 176.8311 67 V 3.7023 8.7225 122.2553 65.5618 31.4046 178.2118 68 L 3.6591 7.4929 118.0616 56.8729 40.7533 179.4063 69 A 3.8905 7.9455 121.6880 56.8823 18.7330 177.9060 70 E 4.2443 8.0812 117.2517 57.0857 32.3687 175.1093 71 L 3.8913 8.6306 123.2353 57.5361 41.5527 177.7709 72 R 3.8003 7.5679 114.2863 58.4215 29.3606 178.7049 73 A 4.0545 7.1993 121.4592 55.1445 18.6594 179.5350 74 R 4.0864 7.8573 111.9960 57.5340 29.7138 176.9156 75 G 3.7893 7.6716 106.4298 46.0354 0.0000 173.3146 76 E 4.5282 8.4817 121.4428 54.0898 32.0522 179.0396 77 K 4.4127 7.9202 121.9806 55.1195 31.9709 176.3160 78 Y 4.0091 8.9108 119.0089 57.9345 39.5176 168.2617 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 S 8.33 4.29 0.00 3.86 3.93 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 3 R 8.16 3.61 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 4 V 7.47 4.40 2.10 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 0.82 0.00 0.00 0.98 0.00 0.00 5 C 8.29 3.78 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.30 4.20 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 7 V 7.59 4.05 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 0.85 0.00 0.00 0.86 0.00 0.00 8 T 7.56 4.53 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 9 G 8.11 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 0.00 0.00 0.00 10 K 7.74 4.17 0.00 1.80 1.74 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.45 7.81 11 R 8.07 4.56 0.00 1.85 1.87 0.00 3.26 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 12 P 0.00 4.74 0.00 2.21 2.12 0.00 3.38 0.00 0.00 2.19 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 13 V 8.27 4.23 2.13 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 0.72 0.00 0.00 0.98 0.00 0.00 14 T 8.03 4.84 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 1.25 0.00 0.00 15 G 7.82 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 5.47 0.00 2.62 2.73 0.00 0.00 6.81 8.00 0.00 0.00 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 N 9.12 4.25 0.00 2.62 2.86 0.00 0.00 6.96 7.38 0.00 0.00 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 R 7.87 3.67 0.00 1.91 1.95 0.00 3.31 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 19 S 7.55 4.30 0.00 4.05 4.03 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 20 H 8.50 4.19 0.00 3.12 3.28 0.00 6.03 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.64 3.63 1.42 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 22 L 7.49 3.53 0.00 1.83 1.74 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.65 4.94 0.00 2.58 2.75 0.00 0.00 6.80 7.23 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 24 A 8.76 4.17 1.22 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 0.00 0.00 0.00 25 T 8.41 4.15 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 1.20 0.00 0.00 26 K 8.84 4.36 0.00 1.64 1.82 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.42 7.81 27 R 8.88 4.33 0.00 1.40 1.94 0.00 2.56 0.00 0.00 2.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.00 28 R 7.92 4.11 0.00 2.22 2.09 0.00 2.99 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 29 F 9.32 4.84 0.00 3.04 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 30 L 8.15 4.85 0.00 1.72 1.62 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.34 0.00 2.07 2.08 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 32 N 8.08 4.36 0.00 2.70 2.80 0.00 0.00 7.04 7.78 0.00 0.00 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 L 7.60 3.67 0.00 1.74 1.61 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.12 4.57 0.00 3.15 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.00 4.20 0.00 4.08 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 36 H 8.15 4.51 0.00 3.13 2.79 0.00 5.84 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 37 R 7.31 4.24 0.00 1.42 1.28 0.00 2.21 0.00 0.00 2.99 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.19 0.00 38 F 9.20 5.03 0.00 3.28 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 39 W 9.14 5.52 0.00 3.58 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 40 V 8.20 3.01 1.95 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 0.71 0.00 0.00 0.72 0.00 0.00 41 E 6.41 2.66 0.00 1.70 1.73 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 2.31 2.41 0.00 42 S 7.71 3.98 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 43 E 7.89 4.05 0.00 1.98 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 0.00 2.32 2.27 0.00 44 K 7.67 3.72 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.53 7.81 45 R 6.80 4.79 0.00 1.95 1.75 0.00 3.19 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 46 F 8.45 6.12 0.00 3.31 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 47 V 7.94 4.08 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.14 0.00 0.00 48 T 8.64 5.17 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 1.26 0.00 0.00 49 L 8.85 5.01 0.00 1.85 1.61 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.41 4.56 0.00 1.79 1.95 0.00 3.33 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 51 V 8.00 3.92 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.22 0.00 0.00 52 S 8.29 5.06 0.00 4.02 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 53 A 8.42 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.12 4.25 0.00 1.95 1.92 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 G 7.60 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.05 3.99 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.85 0.00 57 R 8.17 4.03 0.00 2.12 1.97 0.00 3.19 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 58 V 7.20 3.63 2.27 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 0.99 0.00 0.00 0.98 0.00 0.00 59 I 7.71 3.54 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.56 0.47 0.00 0.00 60 D 7.72 4.72 0.00 2.77 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 61 K 7.31 4.36 0.00 1.77 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.46 7.81 62 K 9.18 4.34 0.00 1.63 1.78 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.41 7.81 63 G 6.70 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.54 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.98 0.77 0.00 0.00 65 D 7.80 4.44 0.00 2.61 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 66 T 7.52 3.85 4.18 0.00 0.00 0.00 0.00 0.00 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 67 V 8.72 3.70 1.92 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 1.00 0.00 0.00 0.83 0.00 0.00 68 L 7.49 3.66 0.00 1.42 1.05 0.60 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.95 3.89 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 70 E 8.08 4.24 0.00 2.05 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 2.29 2.61 0.00 71 L 8.63 3.89 0.00 1.84 1.63 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.57 3.80 0.00 2.35 2.54 0.00 2.90 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.71 0.00 73 A 7.20 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.86 4.09 0.00 1.98 2.08 0.00 3.31 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 75 G 7.67 3.79 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 0.00 0.00 0.00 76 E 8.48 4.53 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 77 K 7.92 4.41 0.00 1.94 1.04 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 78 Y 8.91 4.01 0.00 3.08 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