NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2850 8.1233 122.4566 51.7911 20.8029 175.7652 2 D 4.4169 8.4900 120.7603 53.3426 40.6834 175.6934 3 C 4.4888 9.4513 125.1155 59.5389 41.3008 174.1194 4 A 4.7735 7.2860 117.8370 50.6551 22.4070 175.4174 5 K 4.7222 9.0017 120.6806 53.2877 35.3791 176.4052 6 G 3.9745 7.7850 113.7823 45.1248 0.0000 171.5376 7 K 4.7392 7.7784 118.2497 55.0341 32.8588 176.8962 8 I 4.2249 8.0218 121.7330 61.0881 37.8022 176.1626 9 E 4.3902 9.3604 126.5290 59.1104 30.1165 176.8408 10 F 5.1255 7.3827 112.1133 55.9342 41.2721 173.0335 11 S 5.1123 8.6251 113.2171 56.9061 66.5466 173.1269 12 K 4.4358 8.1595 120.0878 55.6822 36.1096 173.3326 13 Y 5.1743 8.7081 128.4769 56.4794 40.7671 173.9120 14 N 4.9188 8.3442 123.9608 51.2445 40.9973 176.0099 15 E 3.8186 8.7333 120.7917 59.4721 29.6912 177.7478 16 D 4.5632 7.8069 116.3424 52.8794 39.4908 175.3967 17 D 4.7293 8.0253 116.3862 55.7874 40.1334 173.1520 18 T 5.0856 7.4189 105.6783 58.6286 72.9470 172.6561 19 F 5.4406 9.6185 125.0438 57.0865 42.2306 173.7377 20 T 5.3152 9.0859 123.7130 62.4375 70.6574 174.4409 21 V 4.6768 8.9820 117.9513 59.3389 36.3498 174.3081 22 K 4.6742 8.0535 124.5177 54.5733 34.2832 175.0199 23 V 4.4143 8.7119 127.2909 61.4114 34.7110 174.9166 24 D 4.2597 9.6466 127.4743 55.4486 39.3665 174.0352 25 G 3.9083 9.3974 104.2980 45.5983 0.0000 173.1899 26 K 4.4935 7.9626 121.2171 54.3454 35.5650 174.4448 27 E 4.8844 8.1623 124.9979 55.1430 31.8204 174.5408 28 Y 5.3549 8.7834 120.1948 56.2325 43.0550 174.0083 29 W 6.0243 9.0152 117.3430 55.4833 32.3794 173.8286 30 T 4.4885 9.5128 114.5964 60.5449 70.4584 174.1592 31 S 5.0859 8.8308 121.6315 58.4128 63.7595 173.8305 32 R 4.4342 8.0402 121.9820 55.4468 29.8478 177.7175 33 W 4.3076 9.0074 124.2367 59.5876 28.5290 178.2357 34 N 4.3133 8.5248 115.7701 56.5064 38.2300 176.6151 35 L 4.1560 7.9338 116.9750 56.4203 41.6771 179.2571 36 Q 2.9353 7.8321 119.3287 58.0935 28.5666 176.8541 37 P 4.1848 0.0000 0.0000 65.7062 31.2552 178.3250 38 L 3.7661 7.2876 118.9332 57.5556 41.5656 179.5629 39 L 4.3478 8.5665 119.2362 57.9656 41.5831 179.3589 40 Q 4.2149 8.6304 120.0224 59.3191 29.1267 178.4067 41 S 4.1314 8.6212 116.5104 61.4661 62.8082 176.4718 42 A 4.1075 8.3278 123.7508 55.1512 18.0418 179.4277 43 Q 3.9741 8.6909 118.6534 59.3059 29.0555 178.3155 44 L 4.2520 8.2926 118.9378 57.4706 40.8538 177.8658 45 T 4.5115 7.6471 108.7409 60.5453 69.3992 174.4140 46 G 3.9089 7.7372 109.5201 47.0071 0.0000 174.1528 47 M 4.4385 8.0625 118.7111 55.3161 33.6575 175.7133 48 T 4.7514 9.1322 118.7434 62.9248 70.1439 174.4474 49 V 4.6171 8.8226 120.2170 59.7722 35.0555 175.1896 50 T 4.7525 8.3658 120.6500 61.7215 70.9763 173.4974 51 I 3.8289 8.2781 129.1229 60.6746 38.1532 175.5767 52 K 4.9644 8.4098 126.3819 54.8736 35.1977 175.3434 53 S 4.5699 8.3525 117.1692 57.8974 65.4557 175.0038 54 S 4.2386 8.8108 117.2432 59.8669 63.3790 174.2955 55 T 4.4039 7.5364 110.3143 59.9631 67.7115 174.2977 56 C 4.7379 8.4354 123.6404 56.5745 40.2197 174.1719 57 E 4.2580 7.9126 119.2766 55.7250 29.9087 176.3217 58 S 3.7568 8.6167 116.1856 59.9962 62.7480 174.3436 59 G 4.0123 8.7266 114.1679 46.0970 0.0000 173.5981 60 S 4.8529 7.8480 114.8547 56.9392 65.4635 173.7341 61 G 3.1563 8.0254 107.5809 46.1986 0.0000 172.7651 62 F 4.9948 7.3945 114.0226 55.2222 41.1545 174.6035 63 A 4.4125 8.3262 119.1585 52.3472 20.4201 175.2731 64 E 4.8906 8.3080 119.7067 55.5516 32.8871 174.9432 65 V 4.7275 8.3472 125.0018 60.6932 34.4011 172.9576 66 Q 4.5505 8.7688 126.1856 54.6294 31.1970 173.9726 67 F 5.2798 8.7155 122.9145 55.8054 42.0899 174.3022 68 N 5.1011 9.1597 119.7635 51.5673 42.3375 175.6480 69 N 4.3365 8.9384 120.0652 55.0303 39.1460 174.9975 70 D 4.8673 8.2225 121.0044 53.4236 39.2361 174.7319 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 A 8.12 4.28 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 2 D 8.49 4.42 0.00 2.59 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 3 C 9.45 4.49 0.00 2.27 2.83 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 4 A 7.29 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 5 K 9.00 4.72 0.00 1.58 1.58 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.35 7.81 6 G 7.79 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.78 4.74 0.00 1.77 1.77 0.00 1.81 0.00 0.00 1.04 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.42 7.81 8 I 8.02 4.22 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.51 0.97 0.00 0.00 9 E 9.36 4.39 0.00 1.80 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 0.00 2.35 2.22 0.00 10 F 7.38 5.13 0.00 3.03 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 11 S 8.63 5.11 0.00 3.37 3.92 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 12 K 8.16 4.44 0.00 1.95 1.72 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.35 7.81 13 Y 8.71 5.17 0.00 3.38 2.97 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 0.00 0.00 0.00 14 N 8.34 4.92 0.00 2.61 2.50 0.00 0.00 6.66 7.36 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 15 E 8.73 3.82 0.00 1.87 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 2.26 0.00 16 D 7.81 4.56 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.73 0.00 2.99 2.87 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 18 T 7.42 5.09 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 0.54 0.00 0.00 19 F 9.62 5.44 0.00 3.37 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 20 T 9.09 5.32 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 1.29 0.00 0.00 21 V 8.98 4.68 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 0.93 0.00 0.00 1.12 0.00 0.00 22 K 8.05 4.67 0.00 0.79 1.01 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.26 7.81 23 V 8.71 4.41 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 0.94 0.00 0.00 0.84 0.00 0.00 24 D 9.65 4.26 0.00 2.93 2.65 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 0.00 0.00 0.00 0.00 25 G 9.40 3.91 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 0.00 0.00 0.00 26 K 7.96 4.49 0.00 1.81 1.44 0.00 1.41 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 0.98 7.81 27 E 8.16 4.88 0.00 1.84 1.77 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 2.10 2.21 0.00 28 Y 8.78 5.35 0.00 2.68 2.84 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 29 W 9.02 6.02 0.00 3.60 3.24 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 30 T 9.51 4.49 2.78 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 0.00 0.00 0.00 1.21 0.00 0.00 31 S 8.83 5.09 0.00 4.25 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 32 R 8.04 4.43 0.00 1.87 1.91 0.00 3.30 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 33 W 9.01 4.31 0.00 3.29 3.29 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 34 N 8.52 4.31 0.00 2.79 2.91 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.93 4.16 0.00 1.90 1.80 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.83 2.94 0.00 1.68 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 37 P 0.00 4.18 0.00 2.17 2.21 0.00 3.84 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 38 L 7.29 3.77 0.00 2.02 1.28 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.57 4.35 0.00 2.00 2.10 1.44 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.63 4.21 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 41 S 8.62 4.13 0.00 4.03 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 42 A 8.33 4.11 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.69 3.97 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 44 L 8.29 4.25 0.00 1.83 1.82 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.65 4.51 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 1.26 0.00 0.00 46 G 7.74 3.91 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 0.00 0.00 0.00 47 M 8.06 4.44 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 48 T 9.13 4.75 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 1.18 0.00 0.00 49 V 8.82 4.62 1.68 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 0.70 0.00 0.00 0.85 0.00 0.00 50 T 8.37 4.75 4.09 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 0.00 0.00 0.00 1.08 0.00 0.00 51 I 8.28 3.83 1.09 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.21 -0.35 0.00 0.00 52 K 8.41 4.96 0.00 1.59 1.58 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.36 7.81 53 S 8.35 4.57 0.00 3.75 3.67 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 54 S 8.81 4.24 0.00 4.01 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 55 T 7.54 4.40 4.58 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 0.00 0.00 0.00 1.20 0.00 0.00 56 C 8.44 4.74 0.00 2.98 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 4.26 0.00 2.16 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 0.00 2.44 2.31 0.00 58 S 8.62 3.76 0.00 3.77 3.80 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 59 G 8.73 4.01 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 0.00 0.00 0.00 60 S 7.85 4.85 0.00 3.97 4.13 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 61 G 8.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.39 4.99 0.00 2.84 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 63 A 8.33 4.41 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.89 0.00 2.01 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 0.00 2.24 2.28 0.00 65 V 8.35 4.73 2.02 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 0.77 0.00 0.00 0.28 0.00 0.00 66 Q 8.77 4.55 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 67 F 8.72 5.28 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 68 N 9.16 5.10 0.00 2.67 2.66 0.00 0.00 6.70 6.44 0.00 0.00 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 N 8.94 4.34 0.00 2.73 2.90 0.00 0.00 7.32 8.06 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 70 D 8.22 4.87 0.00 2.82 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