NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5674 8.1449 118.3757 58.9074 39.2472 174.3821 2 H 3.9734 8.9811 121.7305 53.8368 28.0677 173.1134 3 A 4.0199 9.3578 124.5721 53.8106 17.5845 175.0441 4 D 4.4697 8.1715 129.0316 54.9259 47.3800 176.8288 5 P 4.3732 0.0000 0.0000 65.2768 32.3163 176.5848 6 S 4.6907 7.2267 114.8136 56.3578 61.5034 171.6933 7 L 4.5951 7.4014 129.0961 55.1917 49.3494 176.4186 8 V 3.7458 7.8013 118.1182 65.9051 31.4555 177.8401 9 S 4.1553 7.8553 112.9226 61.2995 62.6470 176.4774 10 F 3.9269 8.1899 120.5168 59.5777 38.9218 177.1991 11 L 3.9441 8.2590 119.3412 58.8022 42.0982 179.1495 12 T 4.3067 7.4259 116.4892 66.0895 68.3611 177.2166 13 G 3.8336 7.5390 105.5806 47.5876 0.0000 174.8624 14 L 4.0961 8.0183 121.8886 56.1918 41.9920 177.1251 15 G 3.8404 7.4843 106.6938 45.6391 0.0000 174.4668 16 C 4.4566 7.5381 118.1745 57.0876 28.4084 172.3671 17 P 4.5768 0.0000 0.0000 63.1618 31.5809 177.0398 18 N 5.1120 7.9105 115.2914 53.0822 40.0934 174.5861 19 C 4.9233 8.0191 115.8342 59.9954 29.6936 175.3687 20 I 3.5729 7.7418 120.0347 64.4026 36.8731 177.0519 21 E 4.0984 8.3992 118.5379 60.1123 29.0515 179.0544 22 Y 4.1703 8.1187 114.5879 60.7175 38.3483 177.9084 23 F 4.2909 8.9999 119.4517 60.9044 37.5907 177.8425 24 T 4.0780 9.3689 110.0665 64.8384 68.0992 175.8472 25 S 4.3315 7.5834 114.6899 61.0059 62.1884 175.3976 26 Q 4.5414 8.3831 118.8395 55.3563 30.2258 177.9754 27 G 5.2315 6.5407 119.9862 46.7649 0.0000 172.2458 28 L 4.8262 7.7097 113.7624 54.5921 42.6900 178.2275 29 Q 4.3243 8.2454 118.1207 56.4806 29.7793 175.1896 30 S 4.6695 7.8100 113.5517 56.1767 63.9494 173.9921 31 I 3.7436 8.6398 126.6426 64.6359 37.2744 176.4040 32 Y 4.2332 8.2135 118.6470 60.5007 38.5883 176.8592 33 H 4.6190 9.4809 118.5737 57.1327 29.9823 175.2443 34 L 4.6676 8.0458 119.9626 55.4639 40.8302 177.7645 35 Q 3.8972 8.1290 121.7529 59.1268 28.9111 176.9751 36 N 4.6562 7.8271 112.7554 53.5850 39.8354 175.1493 37 L 3.8655 7.1176 119.1254 56.2312 42.5924 176.5672 38 T 4.8359 7.9885 120.1435 60.9133 73.8034 174.5676 39 I 3.6887 6.4628 119.9154 64.2636 37.3886 177.3569 40 E 3.7456 7.4736 118.3083 59.5172 29.6481 178.4767 41 D 4.4594 7.8074 117.6801 56.2188 40.6430 178.4278 42 L 3.9196 8.2036 120.5569 58.0034 41.5725 179.6512 43 G 3.7051 7.5951 101.9026 46.3307 0.0000 175.0568 44 A 4.1079 8.2600 124.2191 55.1084 18.2939 179.3835 45 L 3.8584 7.0513 115.7184 56.1694 41.6161 178.4964 46 K 4.0224 7.5226 116.0914 56.3633 31.3837 175.6310 47 I 4.0530 7.4171 117.2847 59.0151 38.0165 173.7113 48 P 4.1816 0.0000 0.0000 63.1854 31.4739 175.4029 49 E 4.4936 8.2891 117.1041 56.7568 30.3312 177.9563 50 Q 3.7992 7.9513 120.0454 59.9503 29.1588 177.6712 51 Y 4.9437 7.3227 114.0760 56.6230 39.9819 177.1721 52 R 4.0603 8.6939 121.3601 60.1942 29.9751 177.3154 53 M 4.3865 8.1833 117.3914 58.9360 32.2107 178.3602 54 T 3.9297 8.2155 115.2865 67.1402 68.6476 176.2427 55 I 3.8328 8.1787 121.3566 64.1437 37.0580 178.3067 56 W 4.3580 8.3356 129.0849 60.6995 30.3563 177.7307 57 R 3.4641 8.2058 117.1167 59.5923 29.8312 178.8671 58 G 3.8214 8.1175 104.7008 47.9214 0.0000 175.4828 59 L 4.1090 7.9645 120.8794 57.4254 41.4421 179.0303 60 Q 4.1792 8.0033 117.0768 57.8044 28.4331 177.3765 61 D 4.4097 8.0371 119.9940 56.8421 41.1181 177.8071 62 L 3.9056 7.2718 117.7454 57.7830 41.6276 178.4101 63 K 3.8946 8.0228 118.4611 59.5435 32.5101 177.3648 64 Q 3.9854 7.9520 117.1882 57.1263 28.6603 178.5631 65 G 4.8220 6.2180 122.2955 46.1176 0.0000 171.1228 66 H 4.7216 8.5060 126.6965 53.6168 30.2053 172.3332 67 D 4.7655 8.3276 127.5996 52.5381 40.6584 176.6458 68 Y 4.6227 8.7628 121.5129 58.3251 38.6298 176.1317 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 Y 8.14 4.57 0.00 3.00 2.83 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 2 H 8.98 3.97 0.00 3.46 3.35 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 3 A 9.36 4.02 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 4 D 8.17 4.47 0.00 2.87 2.63 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 0.00 0.00 0.00 5 P 0.00 4.37 0.00 2.23 2.32 0.00 3.85 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 2.09 1.95 0.00 6 S 7.23 4.69 0.00 3.91 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 7 L 7.40 4.60 0.00 1.71 1.78 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.80 3.75 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 1.14 0.00 0.00 0.97 0.00 0.00 9 S 7.86 4.16 0.00 4.17 4.14 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 10 F 8.19 3.93 0.00 3.12 3.12 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 0.00 0.00 0.00 11 L 8.26 3.94 0.00 1.88 1.85 0.64 1.13 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 12 T 7.43 4.31 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 1.15 0.00 0.00 13 G 7.54 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 14 L 8.02 4.10 0.00 1.95 1.69 1.09 1.23 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 15 G 7.48 3.84 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 0.00 0.00 0.00 16 C 7.54 4.46 0.00 2.72 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 17 P 0.00 4.58 0.00 2.14 2.08 0.00 3.58 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 18 N 7.91 5.11 0.00 2.70 2.85 0.00 0.00 6.96 7.70 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 19 C 8.02 4.92 0.00 2.78 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 20 I 7.74 3.57 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.42 0.92 0.00 0.00 21 E 8.40 4.10 0.00 1.85 1.79 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 2.41 2.37 0.00 22 Y 8.12 4.17 0.00 3.30 3.17 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 23 F 9.00 4.29 0.00 3.18 3.21 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 0.00 24 T 9.37 4.08 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 1.31 0.00 0.00 25 S 7.58 4.33 0.00 3.91 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 0.00 26 Q 8.38 4.54 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.59 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 27 G 6.54 5.23 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 0.00 0.00 0.00 28 L 7.71 4.83 0.00 1.94 1.94 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.25 4.32 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 30 S 7.81 4.67 0.00 4.10 4.09 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 31 I 8.64 3.74 1.98 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 1.59 1.01 1.03 0.00 0.00 32 Y 8.21 4.23 0.00 3.05 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 33 H 9.48 4.62 0.00 3.17 3.48 0.00 5.95 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.05 4.67 0.00 1.86 1.91 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.13 3.90 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.90 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 36 N 7.83 4.66 0.00 2.69 2.81 0.00 0.00 6.71 7.79 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 37 L 7.12 3.87 0.00 1.59 1.80 0.86 0.77 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 38 T 7.99 4.84 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 1.01 0.00 0.00 39 I 6.46 3.69 1.14 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.05 -0.42 0.00 0.00 40 E 7.47 3.75 0.00 1.79 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 41 D 7.81 4.46 0.00 2.68 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 42 L 8.20 3.92 0.00 1.69 1.75 1.22 0.95 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 43 G 7.60 3.71 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 0.00 0.00 0.00 44 A 8.26 4.11 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 45 L 7.05 3.86 0.00 1.65 1.68 0.87 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.52 4.02 0.00 1.89 2.08 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.37 7.81 47 I 7.42 4.05 1.95 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 1.57 0.63 0.84 0.00 0.00 48 P 0.00 4.18 0.00 2.18 2.00 0.00 3.45 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 1.81 1.81 0.00 49 E 8.29 4.49 0.00 2.07 2.04 0.00 0.00 0.00 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 2.27 0.00 50 Q 7.95 3.80 0.00 1.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.53 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 51 Y 7.32 4.94 0.00 2.97 2.88 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 52 R 8.69 4.06 0.00 1.92 2.03 0.00 3.25 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 1.76 1.82 0.00 53 M 8.18 4.39 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.84 0.00 54 T 8.22 3.93 4.54 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 1.26 0.00 0.00 55 I 8.18 3.83 2.30 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 1.24 0.00 0.00 56 W 8.34 4.36 0.00 3.46 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.21 3.46 0.00 1.82 1.81 0.00 3.09 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 58 G 8.12 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.96 4.11 0.00 2.15 2.01 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.00 4.18 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.29 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 61 D 8.04 4.41 0.00 2.66 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.27 3.91 0.00 1.65 1.70 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.02 3.89 0.00 1.68 1.98 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 Q 7.95 3.99 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 65 G 6.22 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.51 4.72 0.00 2.95 3.16 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.33 4.77 0.00 2.91 2.69 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 68 Y 8.76 4.62 0.00 2.84 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00