NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4498 8.3049 120.3481 54.9733 34.0597 175.0683 2 K 4.1636 7.7253 115.0826 56.7341 34.6906 175.1403 3 K 4.2863 8.0821 117.4329 56.2626 33.5132 177.4213 4 D 4.7600 8.0068 118.3205 56.9961 41.3518 178.7170 5 I 3.6557 7.7180 119.0500 64.1857 37.0635 175.2436 6 H 4.8888 8.0274 117.5894 52.9901 29.3804 172.1543 7 P 4.3061 0.0000 0.0000 64.0858 31.5717 175.7570 8 K 4.8076 7.4299 118.5534 54.9412 35.8487 175.6195 9 Y 4.5823 8.2511 120.5837 57.3892 40.5934 174.8223 10 E 4.0090 7.8700 128.3284 55.0765 30.4574 172.8386 11 E 4.0555 6.6410 120.8622 53.8223 28.7972 174.7428 12 I 3.8807 7.9090 119.4347 61.4242 36.6724 174.7045 13 T 4.6643 8.5613 124.0849 60.7999 71.3492 171.9063 14 A 5.3793 8.0432 126.0047 51.0958 21.7854 177.7089 15 S 4.2378 7.6363 107.7029 58.6189 63.8755 176.1501 16 C 4.6791 8.5885 127.7619 58.5585 25.8493 174.2086 17 S 4.3379 7.9641 114.4326 59.8033 64.0093 175.4722 18 C 4.6277 7.7758 120.8960 58.2693 32.0556 173.7772 19 G 3.8318 7.9388 111.5079 45.7913 0.0000 173.1134 20 N 4.7433 8.6250 112.1999 53.8166 36.5001 173.8066 21 V 3.9743 7.3907 119.0153 61.3808 33.2345 175.5249 22 M 4.5958 8.6217 129.8704 55.3688 29.9083 173.7886 23 K 4.3471 7.9339 119.7833 54.0372 34.4212 175.5565 24 I 4.6015 8.1974 126.2459 60.0207 33.9227 176.1444 25 R 4.0652 8.5480 125.5412 59.2501 30.1731 179.0865 26 S 4.3361 7.9851 110.1114 61.0460 63.1714 173.2435 27 T 3.8152 6.9733 116.1132 63.2731 67.2299 173.3635 28 V 3.6766 8.2261 125.8268 63.0724 32.2718 176.3420 29 G 4.3223 8.2941 116.1120 44.8498 0.0000 171.9602 30 H 4.9972 7.9435 112.3727 53.5725 31.8942 172.0363 31 D 4.9918 8.5492 120.2853 52.6933 44.3137 174.1568 32 L 5.0008 8.7296 123.2895 53.4276 46.7421 174.7502 33 N 5.3006 7.9443 116.0633 51.4481 43.3314 170.9836 34 L 3.6744 8.7672 125.1600 54.3659 40.3568 173.7887 35 D 4.7074 8.2361 120.8899 52.2002 44.3955 174.7507 36 V 3.8570 8.3058 122.5947 63.2183 31.6383 175.8083 37 C 4.4496 8.2595 124.6146 58.2120 29.2988 174.6869 38 S 3.2882 8.3383 114.8646 60.2019 61.6943 174.1890 39 K 4.2030 6.8225 119.0527 56.6912 33.5232 176.4195 40 C 4.5796 7.0427 116.1827 59.9430 33.7217 174.4924 41 H 4.5592 7.8882 116.8528 53.8181 29.9775 174.0900 42 P 4.8712 0.0000 0.0000 61.6226 29.0545 175.9629 43 F 4.3303 8.2409 123.9341 59.0665 40.6520 175.4714 44 F 3.7484 8.1939 127.4054 62.1432 39.2463 176.3633 45 T 3.6682 7.1656 112.3413 64.3372 64.5333 171.4312 46 G 3.5200 7.8457 119.3968 45.1039 0.0000 171.0408 47 K 4.4055 8.5774 121.7692 56.6841 35.5137 175.6039 48 Q 4.4788 9.0317 114.7500 55.3959 30.6698 176.4133 49 R 4.1764 8.5902 114.7341 57.3949 30.3484 180.8624 50 D 3.8068 7.0819 116.4001 54.4247 42.8915 177.5118 51 V 3.5069 7.8053 119.7238 65.5918 31.7751 178.0014 52 A 4.1744 8.2294 119.7738 54.8826 18.0241 179.5263 53 T 3.9294 8.0318 113.7586 66.8587 68.6708 176.1355 54 G 3.9005 8.0013 103.6446 45.7566 0.0000 174.6177 55 G 3.8774 7.7865 107.2649 44.9227 0.0000 175.6835 56 R 4.1915 7.8231 119.5022 58.1996 30.1917 177.3917 57 V 4.3906 7.3570 107.4338 60.2846 34.2482 174.9281 58 D 4.4081 7.6588 119.5458 54.3015 41.9471 177.0111 59 R 4.2703 8.3308 127.6508 55.6955 29.3828 177.0032 60 F 3.7776 7.7372 113.0826 58.1334 37.9827 175.6851 61 N 5.1854 9.3705 116.6793 54.2846 41.7062 176.7635 62 K 4.2005 8.3967 116.0360 58.2031 33.1303 176.8931 63 R 4.4232 8.0733 116.7336 58.2720 32.5494 177.3647 64 F 3.7900 8.6214 118.6925 61.0765 39.5480 175.5244 65 N 4.7448 8.4488 116.7256 53.5514 39.0886 176.3065 66 I 3.6866 7.8249 119.6232 64.7781 36.9798 176.4291 67 P 4.3215 0.0000 0.0000 64.7092 31.1672 177.8559 68 G 3.9141 7.0986 102.8828 46.0892 0.0000 175.0708 69 S 4.2004 8.3081 115.6853 60.2188 62.4310 173.9650 70 K 4.1901 7.6063 125.5565 56.5450 32.7883 176.2782 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 M 8.30 4.45 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 K 7.73 4.16 0.00 1.89 1.72 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.44 7.81 3 K 8.08 4.29 0.00 1.79 1.77 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 4 D 8.01 4.76 0.00 2.80 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 5 I 7.72 3.66 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.37 0.82 0.00 0.00 6 H 8.03 4.89 0.00 3.06 3.17 0.00 5.69 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 7 P 0.00 4.31 0.00 2.23 2.20 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 8 K 7.43 4.81 0.00 1.85 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.46 7.81 9 Y 8.25 4.58 0.00 2.87 2.90 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 10 E 7.87 4.01 0.00 1.77 1.63 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 2.06 2.12 0.00 11 E 6.64 4.06 0.00 1.82 1.56 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 2.35 2.35 0.00 12 I 7.91 3.88 1.84 0.00 0.00 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 1.18 0.67 0.85 0.00 0.00 13 T 8.56 4.66 4.25 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 1.24 0.00 0.00 14 A 8.04 5.38 1.28 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 0.00 0.00 0.00 15 S 7.64 4.24 0.00 3.87 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 16 C 8.59 4.68 0.00 3.01 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 17 S 7.96 4.34 0.00 3.98 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 18 C 7.78 4.63 0.00 2.90 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 19 G 7.94 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 0.00 0.00 0.00 20 N 8.62 4.74 0.00 2.72 2.82 0.00 0.00 6.62 7.68 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 21 V 7.39 3.97 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 0.95 0.00 0.00 1.00 0.00 0.00 22 M 8.62 4.60 0.00 2.07 1.98 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 2.57 2.57 0.00 23 K 7.93 4.35 0.00 1.72 1.73 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 I 8.20 4.60 1.85 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 1.27 1.46 0.92 0.00 0.00 25 R 8.55 4.07 0.00 1.89 2.04 0.00 3.24 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 26 S 7.99 4.34 0.00 4.05 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 27 T 6.97 3.82 4.21 0.00 0.00 0.00 0.00 0.00 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 28 V 8.23 3.68 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 0.69 0.00 0.00 1.01 0.00 0.00 29 G 8.29 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.94 5.00 0.00 3.17 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.55 4.99 0.00 2.68 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 32 L 8.73 5.00 0.00 1.78 1.48 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.94 5.30 0.00 2.57 2.87 0.00 0.00 7.30 7.85 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 34 L 8.77 3.67 0.00 1.82 1.76 0.95 1.36 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 35 D 8.24 4.71 0.00 2.63 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 36 V 8.31 3.86 2.18 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 0.89 0.00 0.00 0.99 0.00 0.00 37 C 8.26 4.45 0.00 3.07 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 38 S 8.34 3.29 0.00 3.72 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 39 K 6.82 4.20 0.00 1.63 1.64 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.41 7.81 40 C 7.04 4.58 0.00 2.91 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 41 H 7.89 4.56 0.00 3.31 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.87 0.00 2.24 2.16 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 43 F 8.24 4.33 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.19 3.75 0.00 2.39 1.89 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 45 T 7.17 3.67 4.46 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 1.52 0.00 0.00 46 G 7.85 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.41 0.00 2.00 1.91 0.00 1.35 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.53 7.81 48 Q 9.03 4.48 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 49 R 8.59 4.18 0.00 1.98 2.15 0.00 2.96 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 50 D 7.08 3.81 0.00 2.97 3.08 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 51 V 7.81 3.51 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 0.92 0.00 0.00 0.95 0.00 0.00 52 A 8.23 4.17 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.03 3.93 4.40 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 1.20 0.00 0.00 54 G 8.00 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 0.00 0.00 0.00 55 G 7.79 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 0.00 0.00 0.00 56 R 7.82 4.19 0.00 1.79 1.97 0.00 3.14 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 57 V 7.36 4.39 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 0.69 0.00 0.00 0.92 0.00 0.00 58 D 7.66 4.41 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.27 0.00 1.87 2.00 0.00 3.53 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 60 F 7.74 3.78 0.00 3.07 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 61 N 9.37 5.19 0.00 2.85 3.09 0.00 0.00 6.68 6.99 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 62 K 8.40 4.20 0.00 1.91 2.02 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 63 R 8.07 4.42 0.00 1.95 1.91 0.00 3.33 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 64 F 8.62 3.79 0.00 3.12 3.31 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 65 N 8.45 4.74 0.00 2.97 2.96 0.00 0.00 7.20 7.32 0.00 0.00 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 I 7.82 3.69 1.85 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 1.53 0.69 0.91 0.00 0.00 67 P 0.00 4.32 0.00 1.90 2.06 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.18 0.00 68 G 7.10 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 69 S 8.31 4.20 0.00 3.91 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 70 K 7.61 4.19 0.00 1.71 1.63 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.45 7.81