NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4361 8.1633 120.3494 55.1482 34.3775 177.0903 2 K 4.8427 8.0168 119.3375 57.7771 31.7742 176.5889 3 L 3.9088 8.4932 123.0499 58.1445 42.5931 178.3853 4 S 4.1049 8.1464 114.4014 62.5801 62.7277 175.9828 5 E 4.0494 8.2573 120.7219 59.3893 29.2035 179.1645 6 V 4.3675 8.2089 119.5741 65.7022 31.8429 178.1304 7 R 3.8385 8.2128 118.6540 59.7822 29.7789 178.3727 8 K 4.0374 7.8132 116.8273 59.8157 32.1493 179.2868 9 Q 4.7603 7.8589 118.6978 57.9397 28.2731 178.5295 10 L 4.1862 8.0345 119.6588 57.1409 42.2141 178.5542 11 E 4.1383 8.0429 116.7039 58.6992 29.8164 178.3298 12 E 4.1162 8.5267 119.8748 58.5335 29.6882 177.5991 13 A 4.1986 7.9853 122.2440 52.7950 18.0829 178.3205 14 R 4.6193 7.9102 116.2532 56.5913 29.8937 178.0681 15 K 3.8146 7.4732 117.2962 57.7078 32.4114 176.1181 16 L 4.5774 7.6631 116.9120 53.7144 43.0509 175.6066 17 S 5.3732 7.6919 116.6646 58.7470 64.1051 174.1477 18 P 4.2500 0.0000 0.0000 65.6049 31.3366 179.0230 19 V 3.6111 7.6591 116.6569 66.0161 31.5361 177.8182 20 E 4.0432 7.7588 118.5093 58.6880 29.3158 178.6404 21 L 4.0304 9.2701 120.9897 58.4086 42.0200 178.9748 22 E 3.9100 8.1519 117.9467 59.3677 29.5980 179.3106 23 K 3.8580 8.3017 118.8477 59.6581 32.0944 179.1202 24 L 3.9602 8.5989 121.0332 57.9610 41.9632 179.0322 25 V 3.5372 8.3361 118.5203 66.2278 31.5584 177.8931 26 R 3.9033 8.3009 118.0977 59.6634 29.9254 178.7550 27 E 3.8996 8.0149 117.5321 59.5296 29.5895 179.4992 28 K 3.9429 8.3470 118.5776 59.3312 32.0625 179.6479 29 K 3.9110 8.6788 119.1622 59.4378 32.0228 179.1990 30 R 3.8421 7.9166 118.8571 59.6220 30.0013 178.2653 31 E 4.0065 8.2775 118.2642 59.2474 29.2885 179.2921 32 L 3.9021 7.7903 120.3411 58.2542 42.2184 178.6611 33 M 4.0407 8.0424 118.0564 58.8379 32.1376 177.4823 34 E 3.8852 8.6703 119.7306 59.4787 29.5195 178.6613 35 L 4.0372 7.8888 120.4381 58.1674 42.3535 179.1953 36 R 4.1060 8.5363 116.3596 59.0757 28.9784 178.6817 37 F 3.9194 9.0517 119.2466 60.5975 38.6955 177.3496 38 Q 3.9028 7.8184 116.1887 58.2287 28.7850 177.9630 39 A 4.2848 8.6486 124.1974 54.2955 18.1145 179.8348 40 S 4.0742 7.9856 112.7318 61.4723 63.3151 176.4860 41 I 3.8262 7.1033 114.9311 61.9490 37.4316 176.5961 42 G 4.2901 7.9139 115.8267 46.1462 0.0000 176.3821 43 Q 4.5716 7.5485 118.3537 54.9799 28.8576 176.9135 44 L 4.5254 7.9766 113.5252 52.4430 43.9849 175.7410 45 S 4.5953 7.8345 111.8141 57.4403 65.2574 173.0078 46 Q 4.4126 7.9391 121.5921 54.6232 30.2268 176.6238 47 N 4.3095 7.0167 124.5390 53.8096 41.4263 175.9224 48 H 4.2138 7.8259 116.4831 58.0116 28.7887 177.4176 49 K 3.7054 7.9149 121.4796 60.0199 31.8151 178.3549 50 I 3.7166 7.9446 120.1163 64.3911 37.0112 178.5552 51 R 3.8902 7.9016 116.2331 59.6117 29.2686 178.5007 52 D 4.3300 8.0935 119.5198 57.1170 40.8365 178.4788 53 L 4.0121 8.0520 120.9022 57.7003 41.9035 179.1055 54 K 3.9538 8.6504 119.0244 59.7513 32.1825 179.6530 55 R 3.9669 8.1983 118.1420 58.7580 29.7792 178.7121 56 Q 3.9509 8.0702 119.8222 59.5386 28.9527 178.6641 57 I 3.6770 7.8645 120.2216 64.3324 36.8839 178.0798 58 A 3.9869 7.4315 120.7482 55.3806 18.5959 179.7197 59 R 4.0097 7.8984 113.7692 59.1258 29.2042 178.9844 60 L 3.9372 7.4862 119.0114 57.7274 41.7877 178.9415 61 L 4.0462 8.0041 118.9181 58.0204 41.9399 177.4179 62 T 4.2732 7.4367 119.1236 63.7307 68.6884 174.2446 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 8.16 4.44 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 2 K 8.02 4.84 0.00 1.97 1.87 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.48 7.81 3 L 8.49 3.91 0.00 1.67 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.15 4.10 0.00 3.90 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 5 E 8.26 4.05 0.00 2.16 1.91 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 2.40 2.53 0.00 6 V 8.21 4.37 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 1.01 0.00 0.00 0.97 0.00 0.00 7 R 8.21 3.84 0.00 2.02 1.90 0.00 3.21 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 8 K 7.81 4.04 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.64 7.81 9 Q 7.86 4.76 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 10 L 8.03 4.19 0.00 1.62 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.04 4.14 0.00 1.92 2.01 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 2.31 2.42 0.00 12 E 8.53 4.12 0.00 2.14 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 2.30 2.32 0.00 13 A 7.99 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.62 0.00 1.89 1.92 0.00 3.24 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 15 K 7.47 3.81 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.42 7.81 16 L 7.66 4.58 0.00 1.66 1.56 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.69 5.37 0.00 3.85 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 18 P 0.00 4.25 0.00 2.19 2.09 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 19 V 7.66 3.61 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 1.14 0.00 0.00 0.93 0.00 0.00 20 E 7.76 4.04 0.00 2.29 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 2.32 2.37 0.00 21 L 9.27 4.03 0.00 1.73 1.93 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.15 3.91 0.00 2.23 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 2.33 2.44 0.00 23 K 8.30 3.86 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.72 7.81 24 L 8.60 3.96 0.00 1.90 1.75 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.34 3.54 2.26 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 0.97 0.00 0.00 0.94 0.00 0.00 26 R 8.30 3.90 0.00 2.02 1.99 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 27 E 8.01 3.90 0.00 2.25 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 2.32 2.64 0.00 28 K 8.35 3.94 0.00 1.87 1.87 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.61 1.63 7.81 29 K 8.68 3.91 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.59 7.81 30 R 7.92 3.84 0.00 1.85 2.06 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 31 E 8.28 4.01 0.00 2.21 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 2.32 2.52 0.00 32 L 7.79 3.90 0.00 1.95 1.80 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.04 4.04 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.33 0.00 34 E 8.67 3.89 0.00 2.07 2.15 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 2.30 2.39 0.00 35 L 7.89 4.04 0.00 2.12 1.80 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.54 4.11 0.00 2.09 2.22 0.00 2.90 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 37 F 9.05 3.92 0.00 3.30 3.19 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 0.00 0.00 0.00 0.00 38 Q 7.82 3.90 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 39 A 8.65 4.28 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.99 4.07 0.00 3.95 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 41 I 7.10 3.83 1.86 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 1.67 0.60 0.97 0.00 0.00 42 G 7.91 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 0.00 0.00 0.00 0.00 43 Q 7.55 4.57 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.44 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 L 7.98 4.53 0.00 1.70 1.62 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.83 4.60 0.00 3.96 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 46 Q 7.94 4.41 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.20 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 47 N 7.02 4.31 0.00 2.76 2.66 0.00 0.00 6.67 7.89 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 48 H 7.83 4.21 0.00 3.40 3.55 0.00 5.53 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.91 3.71 0.00 1.81 1.87 0.00 1.36 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 50 I 7.94 3.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.92 0.00 0.00 51 R 7.90 3.89 0.00 2.04 2.21 0.00 2.99 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 52 D 8.09 4.33 0.00 2.94 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 53 L 8.05 4.01 0.00 1.98 1.73 0.94 0.55 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 54 K 8.65 3.95 0.00 2.05 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 55 R 8.20 3.97 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 56 Q 8.07 3.95 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 57 I 7.86 3.68 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 0.91 0.00 0.00 58 A 7.43 3.99 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 59 R 7.90 4.01 0.00 2.07 2.21 0.00 2.78 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.70 0.00 60 L 7.49 3.94 0.00 1.75 1.77 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.00 4.05 0.00 1.90 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.44 4.27 4.33 0.00 0.00 0.00 0.00 0.00 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