NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4979 8.1476 120.3272 55.5917 33.5178 173.3042 2 K 4.3928 7.6967 115.3768 55.9626 35.6019 173.3441 3 I 4.3594 8.9797 125.9372 60.8734 37.5374 177.7424 4 A 4.1075 8.8010 130.8225 54.7148 19.0945 176.9602 5 K 4.5645 7.6597 112.2812 55.8072 37.2958 175.4191 6 V 4.5898 8.0743 119.8684 61.6841 34.2913 174.5116 7 I 4.2221 8.0157 127.1540 62.5182 38.5026 175.1634 8 N 4.6127 7.5795 114.8118 51.6592 39.3654 174.6006 9 N 4.4183 8.6748 116.1049 56.0069 39.0898 176.2110 10 N 4.9315 8.2606 114.6953 52.2362 41.7687 174.8161 11 V 5.0479 8.5058 118.8013 61.0092 34.9910 174.5400 12 I 5.0074 8.4555 118.7945 59.8429 41.6617 173.9620 13 S 5.3264 9.1499 119.5454 57.6972 65.5610 173.6740 14 V 4.8835 8.8759 119.4970 60.9304 34.7362 172.4141 15 V 5.1192 7.9893 124.2342 60.8167 33.3655 175.2345 16 N 5.0103 8.2426 124.8502 51.4765 39.7835 174.5831 17 E 4.0032 8.6407 117.2299 59.3260 29.9203 178.7344 18 Q 4.0352 8.0994 116.3333 57.1370 29.0131 176.8542 19 G 3.8720 8.0886 105.9259 45.4715 0.0000 173.1426 20 K 4.6392 7.9279 117.9959 54.3605 35.4301 174.7240 21 E 4.8973 8.5218 122.5994 55.1295 31.4543 174.7256 22 L 5.2356 9.2627 126.0803 52.9622 46.2378 175.3564 23 V 4.7452 8.2862 121.1492 61.1945 34.3776 174.6068 24 V 4.7648 9.2467 128.2009 61.5916 33.4339 174.3111 25 M 4.7608 9.4335 128.8981 54.9709 33.7204 175.9418 26 G 4.1727 8.9106 107.8145 46.8607 0.0000 171.6225 27 R 4.5964 8.3061 120.8445 54.7245 30.8288 176.3171 28 G 4.1477 8.3065 115.7223 46.3946 0.0000 173.8635 29 L 4.2154 8.1209 120.0710 56.9708 41.4692 177.2200 30 A 4.3397 8.5958 121.5821 52.2950 19.3947 176.8516 31 F 5.0720 8.1271 117.7073 59.1668 39.7757 173.9560 32 Q 2.8904 7.7782 125.9556 56.4843 27.1902 172.7265 33 K 4.5039 7.4895 114.4724 54.0053 34.6386 174.5643 34 K 4.5853 7.8391 117.9214 55.7871 35.4970 175.4768 35 S 4.5255 8.2097 114.8644 59.2494 63.6701 173.5418 36 G 4.1552 8.5187 113.0973 46.3318 0.0000 174.4060 37 D 4.5247 7.8490 118.0001 53.1823 42.0793 174.6367 38 D 4.8623 8.2785 122.5822 53.3056 41.8650 176.1969 39 V 3.5868 8.1935 126.1274 62.4564 32.0137 174.8261 40 D 4.4085 8.6208 126.5828 54.3923 41.0102 175.4419 41 E 4.0838 8.8326 127.7198 59.2470 29.8235 179.6617 42 A 4.0538 8.0238 120.6541 54.8495 18.2543 178.2023 43 R 4.2201 8.1350 113.1786 56.7595 30.5823 176.2420 44 I 4.1311 7.4081 119.8355 61.6230 37.0176 175.0886 45 E 4.5296 9.1516 126.0996 57.5683 31.2063 177.3926 46 K 4.6116 7.7700 118.4340 54.9907 36.3210 176.3518 47 V 4.7504 8.5398 124.8978 62.1364 33.5061 174.2537 48 F 4.9027 9.3478 122.2320 56.2019 44.0275 173.8092 49 T 4.8915 8.3118 109.2302 59.8241 71.3695 173.5146 50 L 4.1246 8.7287 127.9442 55.9775 42.8229 175.7166 51 D 4.8394 8.4083 123.4705 52.7369 45.0260 173.7453 52 N 4.7494 8.4287 118.3007 52.0527 39.1619 175.8557 53 K 4.0944 8.6586 125.7379 59.4194 33.0100 177.9172 54 D 4.4776 8.1709 119.5711 57.1830 41.0115 176.5263 55 V 3.8058 7.4201 122.2871 61.8648 31.3904 175.7135 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 8.15 4.50 0.00 2.10 2.36 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 2 K 7.70 4.39 0.00 1.85 1.84 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.54 7.81 3 I 8.98 4.36 1.97 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 1.16 0.71 0.95 0.00 0.00 4 A 8.80 4.11 1.27 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 0.00 0.00 0.00 5 K 7.66 4.56 0.00 1.67 1.67 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.43 7.81 6 V 8.07 4.59 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 0.81 0.00 0.00 0.92 0.00 0.00 7 I 8.02 4.22 1.83 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 1.33 0.70 0.88 0.00 0.00 8 N 7.58 4.61 0.00 2.81 2.86 0.00 0.00 6.25 6.92 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 9 N 8.67 4.42 0.00 2.72 3.04 0.00 0.00 6.70 7.02 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 10 N 8.26 4.93 0.00 2.57 3.07 0.00 0.00 6.63 8.91 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 11 V 8.51 5.05 2.23 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 0.87 0.00 0.00 0.87 0.00 0.00 12 I 8.46 5.01 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.91 0.00 0.00 13 S 9.15 5.33 0.00 3.75 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 14 V 8.88 4.88 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 0.77 0.00 0.00 0.97 0.00 0.00 15 V 7.99 5.12 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 1.11 0.00 0.00 0.94 0.00 0.00 16 N 8.24 5.01 0.00 2.98 2.97 0.00 0.00 5.91 7.66 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 17 E 8.64 4.00 0.00 1.95 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 0.00 2.29 2.27 0.00 18 Q 8.10 4.04 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 19 G 8.09 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 0.00 0.00 0.00 20 K 7.93 4.64 0.00 1.70 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.50 7.81 21 E 8.52 4.90 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 22 L 9.26 5.24 0.00 1.70 1.70 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.29 4.75 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 0.87 0.00 0.00 0.93 0.00 0.00 24 V 9.25 4.76 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 0.91 0.00 0.00 0.97 0.00 0.00 25 M 9.43 4.76 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 26 G 8.91 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 0.00 0.00 0.00 0.00 27 R 8.31 4.60 0.00 2.14 1.86 0.00 3.58 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 28 G 8.31 4.15 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 0.00 0.00 0.00 29 L 8.12 4.22 0.00 1.77 1.84 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.60 4.34 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.13 5.07 0.00 3.09 3.23 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 0.00 32 Q 7.78 2.89 0.00 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 33 K 7.49 4.50 0.00 1.82 1.67 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.42 7.81 34 K 7.84 4.59 0.00 1.77 1.71 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.42 7.81 35 S 8.21 4.53 0.00 3.87 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 36 G 8.52 4.16 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 37 D 7.85 4.52 0.00 2.75 2.52 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 38 D 8.28 4.86 0.00 2.67 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 39 V 8.19 3.59 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 0.92 0.00 0.00 0.94 0.00 0.00 40 D 8.62 4.41 0.00 2.69 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 41 E 8.83 4.08 0.00 2.08 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 2.41 2.32 0.00 42 A 8.02 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 43 R 8.13 4.22 0.00 2.15 1.99 0.00 3.15 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 44 I 7.41 4.13 2.04 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 1.32 0.84 0.94 0.00 0.00 45 E 9.15 4.53 0.00 2.00 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 0.00 2.29 2.44 0.00 46 K 7.77 4.61 0.00 1.77 1.89 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 V 8.54 4.75 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 0.92 0.00 0.00 0.96 0.00 0.00 48 F 9.35 4.90 0.00 3.07 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 49 T 8.31 4.89 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 1.22 0.00 0.00 50 L 8.73 4.12 0.00 1.76 1.65 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.41 4.84 0.00 2.65 2.56 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 52 N 8.43 4.75 0.00 2.79 2.70 0.00 0.00 6.66 6.22 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 53 K 8.66 4.09 0.00 1.91 1.95 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 D 8.17 4.48 0.00 2.69 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 0.00 55 V 7.42 3.81 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 0.66 0.00 0.00 0.93 0.00 0.00