NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 R 4.3990 8.2549 119.0814 55.0185 30.5216 175.1567 1 P 4.0920 0.0000 0.0000 59.8864 32.0993 172.7129 2 V 2.4999 7.9068 122.9945 64.3856 32.3807 177.5866 3 H 3.5992 7.8980 116.4574 57.9433 27.9538 176.0388 4 L 4.3382 7.0735 117.2645 55.2511 40.8147 176.4892 5 W 4.4198 8.8993 121.9678 57.3553 29.3176 176.2760 6 G 4.1820 8.8837 112.3295 45.1700 0.0000 173.5284 7 T 4.0364 8.5752 113.0081 65.3897 67.0528 175.6515 8 E 4.0695 8.1476 119.7793 58.8477 29.2765 178.7720 9 E 3.5839 8.2077 119.2244 58.9966 29.4212 179.3432 10 V 3.7009 7.8103 117.5107 66.0194 31.6958 177.3823 11 A 3.9669 7.6344 120.4498 55.4742 18.1039 179.0910 12 A 3.7244 7.6677 118.2654 55.1938 18.2880 179.3992 13 W 4.3796 7.4747 125.8903 60.8306 30.8320 178.1163 14 L 3.3539 7.9900 118.5286 57.7133 41.0590 179.3046 15 E 3.8719 8.0998 119.0221 59.3555 29.2966 178.3397 16 H 4.4392 8.3943 115.4369 57.4527 28.8551 176.4619 17 L 4.2483 6.8701 118.5598 53.1999 42.2769 176.0825 18 S 3.7582 7.7802 113.9339 60.2191 60.7377 171.7854 19 L 4.8618 8.0461 116.0702 54.0286 42.7835 179.3164 20 C 4.0937 8.2521 118.9402 62.7764 27.8846 174.6398 21 E 4.0149 7.9951 116.3007 58.0185 29.4390 177.1609 22 Y 4.6970 7.7942 116.8190 57.8905 39.1316 177.2450 23 K 3.9882 8.2751 120.5681 60.4714 32.0187 177.4107 24 D 4.5247 8.4360 119.0135 56.7000 40.5815 178.1744 25 I 3.8301 7.8981 112.7485 64.8733 37.8372 178.2090 26 F 4.1085 8.6123 119.4542 59.8106 38.4432 177.7141 27 T 4.2105 7.3307 115.2755 65.1866 69.0893 176.1456 28 R 4.0627 8.2833 120.1736 60.0856 30.2402 179.1849 29 H 4.2187 8.8662 109.4394 55.9105 28.0915 175.2432 30 D 4.3820 8.2398 118.1305 55.2338 38.7732 175.6018 31 I 3.8963 7.4799 119.9121 61.5335 35.0443 177.2675 32 R 4.4674 8.2265 125.3034 55.5187 32.4510 175.9623 33 G 3.9095 9.3237 106.7562 47.7100 0.0000 175.4812 34 S 4.1783 8.1318 114.7703 60.8442 62.8801 176.8000 35 G 3.8065 7.6906 108.1085 47.6691 0.0000 174.9795 36 L 3.9827 7.7282 121.5809 57.7849 41.5586 179.7741 37 L 3.8939 7.2528 116.4752 57.1570 41.7993 177.6324 38 H 4.8232 8.0890 113.2337 54.6035 30.4788 173.7146 39 L 4.2325 8.0722 120.7027 55.3410 42.1267 176.4730 40 E 4.7955 9.7834 122.5473 54.1632 33.0415 177.4231 41 R 3.8095 8.5042 120.8254 59.8151 30.2212 178.8228 42 R 3.9128 7.9604 117.3199 59.3201 30.1358 178.2420 43 D 4.3584 8.1840 118.7854 57.7065 40.8521 179.2604 44 L 3.9377 7.8534 118.5379 57.7654 41.5574 179.5810 45 K 4.3010 7.9724 119.7744 59.0876 31.7443 179.1386 46 D 4.4463 8.5930 119.0706 56.7285 40.8811 177.8542 47 L 4.0987 8.0997 117.6099 55.0658 41.7987 176.6752 48 G 4.1864 7.8220 107.8517 45.5120 0.0000 174.9843 49 V 4.0093 7.6174 119.1675 63.5172 32.0417 176.4008 50 T 4.4612 8.4335 112.4442 61.8030 71.6316 174.4137 51 K 4.0124 8.2393 121.9142 56.2743 32.4151 177.5674 52 V 3.6467 8.3885 124.6602 66.1975 31.6714 177.8510 53 G 3.4118 8.2409 104.6268 47.7025 0.0000 174.4863 54 H 4.5167 9.2159 118.6164 58.3125 29.3311 177.1554 55 M 4.0102 7.9053 119.8958 58.4555 31.7515 178.5068 56 K 4.1287 8.8664 119.3304 59.8250 32.4566 179.1071 57 R 3.8687 7.8458 118.5401 59.5915 29.7227 178.6994 58 I 3.8133 8.3544 119.6930 64.4510 37.3532 178.1313 59 L 4.0828 8.7979 120.9722 58.3792 41.4587 179.5351 60 C 4.3972 8.6684 116.7595 62.3822 27.9137 176.2173 61 G 4.1765 7.9847 106.1239 47.2672 0.0000 175.5177 62 I 3.9285 7.6222 122.4211 64.0203 35.9271 178.1594 63 K 3.8242 7.9320 119.0842 59.6707 32.0379 178.2208 64 E 4.1286 8.6767 116.4860 56.6121 29.0358 176.0070 65 L 4.5310 7.6936 115.3359 56.3191 43.4434 178.0180 66 S 4.0476 7.6338 112.1802 61.1945 63.3060 174.4359 67 R 4.0603 7.4420 123.6094 55.8553 29.8599 176.5469 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 0 R 8.25 4.40 0.00 1.85 1.83 0.00 3.24 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 1 P 0.00 4.09 0.00 2.00 1.68 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 2 V 7.91 2.50 1.44 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 0.51 0.00 0.00 -0.87 0.00 0.00 3 H 7.90 3.60 0.00 3.26 3.52 0.00 5.45 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.07 4.34 0.00 1.80 1.81 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 W 8.90 4.42 0.00 3.42 3.18 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 0.00 0.00 0.00 0.00 6 G 8.88 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.58 4.04 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 E 8.15 4.07 0.00 2.09 1.93 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 2.38 2.43 0.00 9 E 8.21 3.58 0.00 2.11 1.12 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 2.26 2.08 0.00 10 V 7.81 3.70 2.44 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 1.43 0.00 0.00 1.36 0.00 0.00 11 A 7.63 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 3.72 1.09 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 0.00 0.00 13 W 7.47 4.38 0.00 3.28 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.35 0.00 1.83 1.67 0.46 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.10 3.87 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 16 H 8.39 4.44 0.00 3.14 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 6.87 4.25 0.00 1.23 1.34 -0.39 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.78 3.76 0.00 3.96 3.89 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 19 L 8.05 4.86 0.00 1.52 1.68 0.62 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.25 4.09 0.00 2.90 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 21 E 8.00 4.01 0.00 1.77 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 2.08 1.65 0.00 22 Y 7.79 4.70 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.28 3.99 0.00 1.88 1.92 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 24 D 8.44 4.52 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 25 I 7.90 3.83 1.96 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.33 1.08 0.00 0.00 26 F 8.61 4.11 0.00 3.46 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 4.21 4.60 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 0.00 0.00 1.26 0.00 0.00 28 R 8.28 4.06 0.00 2.00 1.97 0.00 3.20 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 29 H 8.87 4.22 0.00 2.95 3.29 0.00 6.00 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.24 4.38 0.00 2.70 2.71 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 31 I 7.48 3.90 2.15 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.22 0.97 0.00 0.00 32 R 8.23 4.47 0.00 1.85 1.92 0.00 3.38 0.00 0.00 3.41 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 33 G 9.32 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 34 S 8.13 4.18 0.00 4.03 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 35 G 7.69 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 3.98 0.00 1.73 1.52 0.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.25 3.89 0.00 1.74 1.56 0.73 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.09 4.82 0.00 3.00 3.26 0.00 5.87 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.07 4.23 0.00 1.65 1.65 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.78 4.80 0.00 1.87 1.80 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 2.21 2.46 0.00 41 R 8.50 3.81 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 42 R 7.96 3.91 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 43 D 8.18 4.36 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 44 L 7.85 3.94 0.00 1.86 1.74 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.97 4.30 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 46 D 8.59 4.45 0.00 2.73 2.71 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 47 L 8.10 4.10 0.00 1.71 1.57 -0.12 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.82 4.19 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 0.00 0.00 0.00 49 V 7.62 4.01 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 0.86 0.00 0.00 0.61 0.00 0.00 50 T 8.43 4.46 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 1.32 0.00 0.00 51 K 8.24 4.01 0.00 1.61 1.65 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.52 7.81 52 V 8.39 3.65 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 1.05 0.00 0.00 0.94 0.00 0.00 53 G 8.24 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.22 4.52 0.00 3.39 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 7.91 4.01 0.00 2.07 2.25 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 2.71 2.65 0.00 56 K 8.87 4.13 0.00 1.91 1.89 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.62 7.81 57 R 7.85 3.87 0.00 2.04 2.03 0.00 2.95 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 58 I 8.35 3.81 2.09 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 1.28 0.00 0.00 59 L 8.80 4.08 0.00 1.78 1.78 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.67 4.40 0.00 3.01 3.02 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 0.00 0.00 0.00 61 G 7.98 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.62 3.93 2.12 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.87 0.81 0.00 0.00 63 K 7.93 3.82 0.00 2.03 1.88 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.41 7.81 64 E 8.68 4.13 0.00 2.13 2.05 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 2.37 2.32 0.00 65 L 7.69 4.53 0.00 1.56 1.41 0.24 1.00 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 66 S 7.63 4.05 0.00 3.90 3.85 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 0.00 0.00 0.00 0.00 67 R 7.44 4.06 0.00 2.03 1.92 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00