NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3005 Q 4.3966 8.3449 119.6471 55.8894 31.1354 175.2391 3006 I 3.9797 7.7650 119.3069 59.9867 37.5582 173.4427 3007 Y 4.5302 9.5049 130.4229 56.6635 40.8938 173.2909 3008 Y 4.5070 7.6614 123.8473 55.7450 40.0352 175.8594 3009 S 4.2424 7.8362 119.4818 57.0106 64.2666 173.9725 3010 D 4.5932 8.5860 120.0389 54.3141 41.3111 175.8956 3011 K 5.7044 8.6956 120.5039 54.7072 33.8211 175.4680 3012 Y 5.2671 8.7375 121.2404 55.3148 41.9661 173.4699 3013 D 5.3984 8.9013 118.5835 52.0768 42.9972 174.2709 3014 D 5.3679 8.6718 119.2153 51.7337 41.7162 176.3445 3015 E 4.1945 8.8907 115.7052 58.6452 30.1106 176.3059 3016 E 4.2923 8.4502 118.3129 57.1235 32.2830 175.4392 3017 F 5.0575 9.9379 117.4247 55.3959 43.2662 173.8248 3018 E 4.7615 8.6254 122.2910 55.1958 31.7543 174.3916 3019 Y 5.6401 9.3342 122.6985 56.5170 42.1034 174.4879 3020 R 5.1194 9.1001 121.9051 55.1266 34.3564 173.1901 3021 H 5.6152 8.9379 118.5850 53.7722 32.3186 172.6667 3022 V 4.5918 8.7381 119.2694 61.4085 34.6397 173.9129 3023 M 5.0135 8.9608 127.8658 53.9207 33.7386 175.0645 3024 L 4.9400 8.6302 124.7697 52.3829 43.5856 175.2412 3025 P 4.4865 0.0000 0.0000 62.1555 32.0564 177.3402 3026 K 3.8611 8.6776 118.9482 59.7846 31.5767 179.2446 3027 D 4.3767 7.9361 118.1926 56.4261 39.8472 178.2259 3028 I 3.9421 7.7011 120.4833 63.8317 37.2827 177.7909 3029 A 4.0603 8.3170 122.1685 55.0317 17.9389 179.4666 3030 K 4.1175 7.6673 115.2448 59.0661 32.7976 178.4949 3031 L 4.3882 7.7924 119.1961 54.6948 42.1541 177.0864 3032 V 3.6323 7.0247 119.1335 62.2139 31.7850 174.0729 3033 P 4.3617 0.0000 0.0000 62.7797 31.7159 175.9658 3034 K 4.3349 8.4844 120.9699 56.7261 33.3883 176.8419 3035 T 4.4872 7.5503 106.1682 61.4212 69.4541 172.7156 3036 H 4.6302 7.4771 115.9344 55.3493 30.8702 172.6297 3037 L 4.5413 8.2652 119.8386 53.7021 43.1642 175.9885 3038 M 4.8531 8.6048 120.1106 54.1025 33.3364 177.4686 3039 S 4.5549 9.2408 119.5600 57.8704 65.4041 174.9250 3040 E 2.5400 8.6414 122.2100 59.1198 29.1656 178.9293 3041 S 3.9485 7.7728 114.5759 61.5005 63.0133 176.4889 3042 E 3.9905 7.6887 121.3038 59.1848 29.3956 179.4286 3043 W 4.4508 8.1831 116.7933 59.5276 28.2621 178.6780 3044 R 4.3238 7.5998 120.4913 58.6927 29.2131 178.5190 3045 N 4.3533 8.0631 115.4493 56.4735 38.6198 177.1893 3046 L 4.2442 7.7120 118.9857 56.1186 41.7837 177.9737 3047 G 4.1448 7.7940 104.9149 45.0276 0.0000 174.0928 3048 V 3.8733 8.3369 121.4552 62.7566 31.9723 174.7300 3049 Q 4.9231 9.5956 126.9097 54.3182 30.5462 174.5775 3050 Q 4.2757 8.3350 120.2367 55.1185 31.1011 173.5628 3051 S 4.5586 8.5509 114.5906 58.3016 63.8194 173.8248 3052 Q 4.3280 8.3377 120.0597 56.9376 29.0565 177.0347 3053 G 3.9599 8.6136 108.9928 44.9666 0.0000 174.1968 3054 W 4.5100 7.9939 119.8740 56.6415 29.8774 175.3550 3055 V 4.8094 9.3452 123.3854 61.3005 33.7098 173.9836 3056 H 4.7820 9.9765 128.3034 56.1482 29.1312 173.8059 3057 Y 4.8798 8.5622 123.7085 57.1491 39.4955 175.4381 3058 M 4.4383 6.9398 115.2721 54.0844 33.8080 173.6845 3059 I 4.0357 7.8673 121.1265 60.2225 38.6278 175.7927 3060 H 4.5831 8.3499 125.8981 54.4847 28.6268 174.9776 3061 E 3.9241 8.5133 125.6090 58.6231 29.6153 177.2194 3062 P 4.3258 0.0000 0.0000 65.0456 31.7087 176.4318 3063 E 4.5967 7.5756 116.7325 53.3313 30.0314 174.0163 3064 P 4.1829 0.0000 0.0000 65.3461 32.0167 177.1971 3065 H 4.5361 8.1686 112.2952 56.6355 29.7684 174.6960 3066 I 4.7666 7.6711 121.3731 59.7852 38.6719 174.8876 3067 L 4.4778 8.9184 127.8887 52.9002 43.9195 175.3864 3068 L 4.8069 8.0822 123.7410 53.3710 43.6911 175.5755 3069 F 5.6664 9.4563 122.7308 55.9566 42.9900 174.4021 3070 R 5.4660 9.3078 116.8485 55.1834 33.1547 173.9581 3071 R 5.0418 8.5587 116.1089 53.7033 33.1262 172.5639 3072 P 4.0874 0.0000 0.0000 62.6305 32.0780 175.8245 3073 L 4.0203 8.1406 124.3399 55.3303 41.5990 176.3837 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 3005 Q 8.34 4.40 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 3006 I 7.77 3.98 1.86 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 1.18 0.60 0.30 0.00 0.00 3007 Y 9.50 4.53 0.00 3.05 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 3008 Y 7.66 4.51 0.00 2.53 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 3009 S 7.84 4.24 0.00 3.91 3.58 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 0.00 3010 D 8.59 4.59 0.00 2.78 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 3011 K 8.70 5.70 0.00 1.86 2.02 0.00 2.20 0.00 0.00 2.61 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.36 7.81 3012 Y 8.74 5.27 0.00 3.14 3.09 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 0.00 3013 D 8.90 5.40 0.00 2.74 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 3014 D 8.67 5.37 0.00 3.02 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 3015 E 8.89 4.19 0.00 2.09 2.14 0.00 0.00 0.00 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 2.31 0.00 3016 E 8.45 4.29 0.00 2.03 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 1.47 1.95 0.00 3017 F 9.94 5.06 0.00 2.12 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 3018 E 8.63 4.76 0.00 1.84 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 3019 Y 9.33 5.64 0.00 2.31 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 3020 R 9.10 5.12 0.00 1.52 0.71 0.00 2.22 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.33 0.00 3021 H 8.94 5.62 0.00 3.31 3.39 0.00 5.26 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3022 V 8.74 4.59 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 0.59 0.00 0.00 0.64 0.00 0.00 3023 M 8.96 5.01 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.63 0.00 3024 L 8.63 4.94 0.00 1.68 1.59 0.87 1.37 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 3025 P 0.00 4.49 0.00 2.40 2.18 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 3026 K 8.68 3.86 0.00 1.80 1.90 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.47 7.81 3027 D 7.94 4.38 0.00 2.83 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 3028 I 7.70 3.94 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.83 0.95 0.00 0.00 3029 A 8.32 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3030 K 7.67 4.12 0.00 1.93 1.96 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.48 7.81 3031 L 7.79 4.39 0.00 1.80 1.79 0.95 0.73 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 3032 V 7.02 3.63 2.19 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 0.74 0.00 0.00 0.96 0.00 0.00 3033 P 0.00 4.36 0.00 2.00 1.70 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 3034 K 8.48 4.33 0.00 1.65 1.79 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.43 7.81 3035 T 7.55 4.49 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 1.21 0.00 0.00 3036 H 7.48 4.63 0.00 3.22 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3037 L 8.27 4.54 0.00 1.64 1.73 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3038 M 8.60 4.85 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 3039 S 9.24 4.55 0.00 4.05 4.05 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 3040 E 8.64 2.54 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 3041 S 7.77 3.95 0.00 3.83 3.83 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 3042 E 7.69 3.99 0.00 2.31 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 0.00 2.36 2.32 0.00 3043 W 8.18 4.45 0.00 3.67 3.44 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 0.00 0.00 0.00 0.00 3044 R 7.60 4.32 0.00 1.73 1.93 0.00 2.87 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.00 3045 N 8.06 4.35 0.00 2.94 2.91 0.00 0.00 7.09 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3046 L 7.71 4.24 0.00 2.01 1.85 1.00 0.84 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 3047 G 7.79 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3048 V 8.34 3.87 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 0.79 0.00 0.00 1.05 0.00 0.00 3049 Q 9.60 4.92 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 3050 Q 8.33 4.28 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.01 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 3051 S 8.55 4.56 0.00 4.12 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 3052 Q 8.34 4.33 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 3053 G 8.61 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 0.00 0.00 0.00 3054 W 7.99 4.51 0.00 3.29 2.95 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 3055 V 9.35 4.81 2.36 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 1.15 0.00 0.00 1.16 0.00 0.00 3056 H 9.98 4.78 0.00 3.09 3.59 0.00 5.59 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3057 Y 8.56 4.88 0.00 2.99 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 3058 M 6.94 4.44 0.00 1.61 1.74 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 1.95 1.17 0.00 3059 I 7.87 4.04 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.84 0.00 0.00 3060 H 8.35 4.58 0.00 3.07 3.13 0.00 5.87 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3061 E 8.51 3.92 0.00 1.92 1.94 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 2.25 2.23 0.00 3062 P 0.00 4.33 0.00 1.83 2.04 0.00 3.13 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 3063 E 7.58 4.60 0.00 1.94 1.60 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 2.21 2.20 0.00 3064 P 0.00 4.18 0.00 2.03 2.10 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 3065 H 8.17 4.54 0.00 3.34 3.53 0.00 5.43 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3066 I 7.67 4.77 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.36 0.87 0.00 0.00 3067 L 8.92 4.48 0.00 1.42 0.93 0.91 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 3068 L 8.08 4.81 0.00 1.32 1.41 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 3069 F 9.46 5.67 0.00 2.88 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 3070 R 9.31 5.47 0.00 1.13 1.37 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.09 0.00 3071 R 8.56 5.04 0.00 1.58 1.62 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 3072 P 0.00 4.09 0.00 1.87 1.81 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 3073 L 8.14 4.02 0.00 1.56 1.42 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00