NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4087 8.2644 123.5831 51.0404 20.7087 175.3747 3 K 3.9549 7.6102 127.0531 55.6643 36.4868 173.5139 4 H 4.3059 9.2316 115.1010 58.1786 30.6268 172.9277 5 P 4.8208 0.0000 0.0000 61.0327 32.6696 174.7622 6 V 4.4465 7.9270 120.6934 60.1597 34.6715 172.5617 7 P 4.2914 0.0000 0.0000 62.6963 31.5479 176.5034 8 K 4.0916 8.7882 125.1990 58.4792 32.4486 176.4254 9 K 4.7128 7.4951 114.9457 53.5692 35.9048 175.5370 10 K 4.0846 8.3722 120.9860 57.1593 32.6588 177.5888 11 T 4.0605 8.7686 122.2244 63.6693 66.9907 173.9919 12 S 3.6782 7.4545 114.5960 56.9726 62.3416 172.6444 13 K 3.9677 8.5861 127.4876 60.3189 31.9008 177.8098 14 A 3.6932 8.2733 117.6264 56.1859 18.1975 178.8302 15 R 3.5277 8.3197 115.8023 59.1269 30.5245 179.0513 16 R 3.8412 8.3554 118.7976 59.5705 29.9219 177.9895 17 D 4.3711 8.0541 117.4495 57.6564 41.1554 178.2108 18 A 3.9706 8.6169 121.2323 55.5515 18.0211 179.2178 19 R 3.7322 8.5668 116.4046 60.4290 30.2818 179.2298 20 R 3.9841 8.4134 116.2163 58.3464 30.4116 179.4393 21 S 3.4040 8.2857 103.3212 57.3492 66.3465 175.0307 22 H 4.4987 8.8780 111.8427 56.3533 27.2153 173.3049 23 H 4.7086 8.1865 115.7657 56.9853 32.8968 174.1039 24 A 3.9249 8.0173 119.4963 51.6853 18.8452 177.1421 25 L 4.1139 8.3004 121.0479 55.0229 42.3420 177.3636 26 T 4.2499 8.0822 115.7252 59.3524 66.4945 171.7909 27 P 4.1032 0.0000 0.0000 62.1792 31.1864 174.4640 28 P 4.2407 0.0000 0.0000 62.6615 31.3638 175.1553 29 T 4.6167 8.3886 108.9321 60.1278 70.7960 172.8893 30 L 5.0075 8.4572 124.8786 53.3789 45.9108 175.5988 31 V 4.4406 9.2785 112.6754 60.5915 36.7626 177.0572 32 P 3.7624 0.0000 0.0000 61.0663 32.8916 177.7505 33 C 5.4728 9.0834 128.4199 58.1991 34.2474 168.9164 34 P 4.3051 0.0000 0.0000 64.9473 30.6509 177.5065 35 E 3.9658 9.4635 116.1670 57.3073 29.5521 178.0671 36 C 4.0300 8.8243 118.9674 60.8252 29.6250 173.6246 37 K 4.5145 8.2963 118.3385 56.8133 33.0863 177.9492 38 A 4.3726 7.6672 124.7146 52.9980 19.5627 176.7624 39 M 5.1103 8.3122 113.1609 52.9227 35.7502 175.1731 40 K 4.8570 8.5867 121.3390 53.9865 37.2036 173.1481 41 P 5.1592 0.0000 0.0000 60.1207 33.0502 173.6301 42 P 4.0027 0.0000 0.0000 64.0037 31.8433 175.7403 43 H 4.3702 8.8192 119.4720 56.9728 25.8947 173.4049 44 T 4.8737 7.7312 113.5085 61.9913 72.5971 175.0684 45 V 4.4424 7.8874 119.6220 60.8014 31.3350 173.9666 46 C 4.2362 7.8999 123.2357 58.4349 32.3677 173.7684 47 P 4.6786 0.0000 0.0000 62.7474 29.9103 176.6218 48 E 4.6245 8.2612 117.7602 57.1692 31.4939 175.1874 49 C 4.7613 8.4261 120.5613 58.4960 32.4362 174.8258 50 G 3.9361 7.9538 107.7406 44.5579 0.0000 173.4054 51 Y 4.1148 8.1957 123.3518 57.2967 37.1890 174.0654 52 Y 4.8627 7.9871 124.7162 58.8732 40.0648 173.3248 53 A 3.8341 9.4784 118.9620 51.7990 16.4507 177.9141 54 G 3.6834 7.6353 107.9288 46.3004 0.0000 172.8694 55 R 4.4892 8.0324 121.5453 55.3629 31.3829 177.2166 56 K 4.4683 8.2064 120.4003 57.9452 34.8150 176.1819 57 V 4.2268 6.7637 114.6055 59.7153 39.3674 173.1557 58 L 4.6934 7.3871 122.0264 55.3359 40.8290 172.7558 59 E 4.7622 8.2589 122.8969 55.5822 32.7448 176.0850 60 V 3.9935 8.0737 118.9402 63.3594 31.8460 174.7705 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 2 A 8.26 4.41 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 3 K 7.61 3.95 0.00 1.74 1.51 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.54 7.81 4 H 9.23 4.31 0.00 3.12 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.82 0.00 2.20 2.02 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 6 V 7.93 4.45 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 0.83 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.29 0.00 2.08 1.99 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 8.79 4.09 0.00 1.69 1.83 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.50 4.71 0.00 1.73 1.66 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.37 4.08 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 T 8.77 4.06 4.24 0.00 0.00 0.00 0.00 0.00 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 12 S 7.45 3.68 0.00 3.93 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 13 K 8.59 3.97 0.00 1.84 1.82 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.56 7.81 14 A 8.27 3.69 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 R 8.32 3.53 0.00 1.92 2.08 0.00 3.10 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 16 R 8.36 3.84 0.00 1.99 2.11 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 D 8.05 4.37 0.00 2.87 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 0.00 0.00 0.00 0.00 18 A 8.62 3.97 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 19 R 8.57 3.73 0.00 1.76 2.15 0.00 3.31 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 R 8.41 3.98 0.00 2.08 2.00 0.00 3.37 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 21 S 8.29 3.40 0.00 4.06 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.88 4.50 0.00 3.12 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.19 4.71 0.00 3.38 3.23 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.02 3.92 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 25 L 8.30 4.11 0.00 1.66 1.63 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.08 4.25 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 27 P 0.00 4.10 0.00 2.21 2.12 0.00 3.87 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 2.00 2.00 0.00 28 P 0.00 4.24 0.00 2.19 2.15 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 29 T 8.39 4.62 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 1.26 0.00 0.00 30 L 8.46 5.01 0.00 1.49 1.73 0.92 0.97 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 31 V 9.28 4.44 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 0.73 0.00 0.00 0.92 0.00 0.00 32 P 0.00 3.76 0.00 2.19 1.34 0.00 3.69 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 2.09 2.12 0.00 33 C 9.08 5.47 0.00 3.10 3.01 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 34 P 0.00 4.31 0.00 2.29 1.95 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 35 E 9.46 3.97 0.00 2.00 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 2.38 2.33 0.00 36 C 8.82 4.03 0.00 3.05 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 37 K 8.30 4.51 0.00 1.84 1.87 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 38 A 7.67 4.37 1.26 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 0.00 0.00 0.00 39 M 8.31 5.11 0.00 1.84 1.92 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 2.48 2.32 0.00 40 K 8.59 4.86 0.00 1.62 1.63 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.32 7.81 41 P 0.00 5.16 0.00 2.08 2.04 0.00 3.41 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 42 P 0.00 4.00 0.00 2.11 2.17 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 43 H 8.82 4.37 0.00 3.32 3.49 0.00 5.71 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 44 T 7.73 4.87 4.27 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 1.25 0.00 0.00 45 V 7.89 4.44 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 0.93 0.00 0.00 1.14 0.00 0.00 46 C 7.90 4.24 0.00 2.99 3.07 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 0.00 0.00 0.00 47 P 0.00 4.68 0.00 2.22 2.14 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 E 8.26 4.62 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 49 C 8.43 4.76 0.00 3.40 3.03 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 0.00 0.00 0.00 50 G 7.95 3.94 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 0.00 0.00 0.00 51 Y 8.20 4.11 0.00 2.84 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 0.00 0.00 0.00 52 Y 7.99 4.86 0.00 3.04 3.03 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 0.00 0.00 0.00 53 A 9.48 3.83 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.64 3.68 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 0.00 0.00 0.00 55 R 8.03 4.49 0.00 1.76 1.82 0.00 3.24 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 56 K 8.21 4.47 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.96 0.00 0.00 3.28 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.52 7.81 57 V 6.76 4.23 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 0.65 0.00 0.00 1.03 0.00 0.00 58 L 7.39 4.69 0.00 1.68 1.65 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.26 4.76 0.00 2.06 1.92 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 2.21 2.33 0.00 60 V 8.07 3.99 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 0.81 0.00 0.00 0.94 0.00 0.00