NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4749 8.3001 118.7935 54.6152 31.9464 174.5536 1 A 4.4936 8.2984 125.7544 49.4809 20.7452 173.7316 2 Q 4.2976 8.4735 120.0207 55.4998 30.7418 173.5218 3 A 4.7545 8.6223 128.0397 51.1499 21.3536 175.8102 4 S 5.0837 8.8851 115.9444 56.2818 67.2378 173.4845 5 V 4.2737 8.4793 121.7314 62.9727 32.1854 175.3530 6 V 4.9369 8.7301 120.5065 59.0034 36.0586 174.8557 7 A 4.4695 8.7550 125.7230 52.4106 18.7554 177.6652 8 N 4.7407 9.2521 122.0356 54.5213 39.5520 174.1298 9 Q 4.6114 7.5042 113.9349 55.5363 31.6668 173.5305 10 L 4.2121 8.5006 122.2840 55.3463 42.9756 176.0421 11 I 4.3791 8.6278 127.6254 58.8684 39.0469 173.6183 12 P 4.6518 0.0000 0.0000 61.9831 32.6305 176.1832 13 I 3.8161 8.2769 121.7866 62.8629 38.2699 175.4715 14 N 4.3908 8.5497 121.9652 54.2677 36.9046 174.6056 15 T 4.2118 7.5316 115.2416 63.7764 69.9190 173.8093 16 T 4.7258 8.3068 121.7198 62.6172 69.6872 174.7640 17 L 4.2762 9.0554 128.1241 55.0840 42.9207 176.4724 18 T 4.8919 8.3030 112.3553 59.4369 72.1296 174.9924 19 L 4.0487 8.5327 121.3072 57.9187 41.7910 180.1320 20 V 3.7300 7.7206 110.3931 63.8015 31.8158 176.6778 21 M 4.3135 8.0951 118.7965 56.1864 32.3097 175.2981 22 M 5.3180 7.7684 119.1194 53.3566 35.2386 175.0451 23 R 4.7126 9.0754 119.7569 54.3688 33.5114 174.0747 24 S 5.1880 8.4036 113.3494 56.6090 64.4890 172.5451 25 E 4.6833 9.0055 126.3135 54.8986 33.6248 174.1892 26 V 4.3847 8.3622 125.6567 62.2315 31.6866 175.3732 27 V 4.6341 8.2862 120.3945 59.5649 35.5090 175.2578 28 T 4.6410 8.0758 110.5351 58.9588 71.2912 172.2809 29 P 4.4434 0.0000 0.0000 62.2733 32.1709 175.9672 30 V 3.8730 8.1863 119.3392 62.8153 32.8322 176.0806 31 G 4.3071 8.3205 114.8328 45.7148 0.0000 173.3280 32 I 3.9326 8.6325 125.0218 60.6506 38.3746 174.2382 33 P 4.5989 0.0000 0.0000 62.9784 31.8705 177.2331 34 A 3.9965 8.9456 126.2937 55.3362 18.0279 179.6913 35 E 4.0993 8.1520 114.2584 58.7845 30.0928 177.8618 36 D 4.6911 8.2208 119.1297 54.5696 41.1209 177.7564 37 I 3.6984 7.7491 122.6341 64.2205 37.3185 176.1075 38 P 4.3006 0.0000 0.0000 66.0759 30.8289 178.6775 39 R 4.1122 7.8649 116.6583 58.6784 30.2582 178.4875 40 L 4.2285 7.8780 118.3163 55.8175 41.8024 177.3758 41 V 3.9996 6.7421 117.8249 64.2645 31.8441 176.0777 42 S 4.1297 8.8034 121.6494 59.0124 61.0440 169.2583 43 M 4.6392 7.8931 120.4564 54.2001 34.4646 174.9672 44 Q 5.5595 8.3203 118.7431 53.9897 31.7682 175.3548 45 V 4.6066 8.2411 115.4699 60.3361 33.4623 175.9288 46 N 5.0870 8.9214 120.9551 52.5366 38.4523 174.0388 47 R 4.5580 7.5267 113.8527 55.2633 32.3631 174.1995 48 A 4.2816 8.5435 121.9242 52.0386 19.3918 177.5097 49 V 4.2115 8.7870 122.1463 60.1757 33.7068 173.2467 50 P 4.6226 0.0000 0.0000 62.0395 32.7086 175.8861 51 L 3.9770 8.4685 123.3381 57.2571 42.1202 177.7046 52 G 3.9593 9.0927 114.1874 45.5287 0.0000 173.2742 53 T 4.3195 7.6762 117.3977 62.9798 69.9524 174.4260 54 T 4.3701 8.3826 122.8045 63.4929 69.5089 174.0628 55 L 4.2060 8.8814 127.2593 54.7251 42.8095 176.4867 56 M 4.6961 8.4471 123.4568 52.9220 34.1255 175.2306 57 P 4.0784 0.0000 0.0000 65.8985 31.5696 178.0962 58 D 4.6358 8.0009 114.4622 54.8947 39.7514 176.5397 59 M 4.4292 8.1231 119.2043 55.1558 32.7529 175.5464 60 V 4.5967 7.2979 119.9166 60.3324 32.9909 174.8598 61 K 4.0617 8.8666 128.3646 58.1254 31.9631 177.5234 62 G 3.9537 9.0302 112.4498 45.2941 0.0000 172.3652 63 Y 4.2515 7.5667 120.9798 57.0352 39.4099 174.6230 64 A 4.3517 7.4232 128.0521 50.7730 22.4080 175.7443 65 A 3.9143 7.9769 123.5656 52.7584 18.9380 176.2467 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 M 8.30 4.47 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 1 A 8.30 4.49 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 2 Q 8.47 4.30 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 3 A 8.62 4.75 1.24 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 0.00 0.00 0.00 4 S 8.89 5.08 0.00 3.70 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 5 V 8.48 4.27 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 0.98 0.00 0.00 0.92 0.00 0.00 6 V 8.73 4.94 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 0.68 0.00 0.00 0.98 0.00 0.00 7 A 8.75 4.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.25 4.74 0.00 2.69 2.98 0.00 0.00 7.08 7.11 0.00 0.00 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 Q 7.50 4.61 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 10 L 8.50 4.21 0.00 1.65 1.61 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.63 4.38 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.90 0.00 0.00 12 P 0.00 4.65 0.00 2.07 1.97 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 13 I 8.28 3.82 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 1.41 0.82 0.91 0.00 0.00 14 N 8.55 4.39 0.00 2.94 2.92 0.00 0.00 7.03 7.84 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 15 T 7.53 4.21 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 1.21 0.00 0.00 16 T 8.31 4.73 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 1.24 0.00 0.00 17 L 9.06 4.28 0.00 1.76 1.59 0.91 0.32 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 18 T 8.30 4.89 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 19 L 8.53 4.05 0.00 1.73 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.72 3.73 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 0.70 0.00 0.00 0.98 0.00 0.00 21 M 8.10 4.31 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 22 M 7.77 5.32 0.00 1.78 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 9.08 4.71 0.00 1.82 2.02 0.00 2.71 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 24 S 8.40 5.19 0.00 3.86 3.75 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 25 E 9.01 4.68 0.00 2.03 1.70 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 2.20 2.25 0.00 26 V 8.36 4.38 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 0.89 0.00 0.00 0.93 0.00 0.00 27 V 8.29 4.63 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.08 4.64 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 29 P 0.00 4.44 0.00 2.20 2.10 0.00 3.75 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 1.98 1.95 0.00 30 V 8.19 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.32 4.31 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 0.00 32 I 8.63 3.93 1.70 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.48 0.74 0.00 0.00 33 P 0.00 4.60 0.00 2.11 2.01 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 34 A 8.95 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.10 0.00 2.15 2.11 0.00 0.00 0.00 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 2.36 0.00 36 D 8.22 4.69 0.00 2.95 2.87 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 37 I 7.75 3.70 1.94 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 1.57 1.31 0.91 0.00 0.00 38 P 0.00 4.30 0.00 2.27 2.32 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 39 R 7.86 4.11 0.00 2.08 2.11 0.00 3.18 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 40 L 7.88 4.23 0.00 1.95 1.71 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.74 4.00 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 0.76 0.00 0.00 0.94 0.00 0.00 42 S 8.80 4.13 0.00 4.12 4.05 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 0.00 0.00 0.00 43 M 7.89 4.64 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 44 Q 8.32 5.56 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 45 V 8.24 4.61 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 0.85 0.00 0.00 1.01 0.00 0.00 46 N 8.92 5.09 0.00 2.81 3.02 0.00 0.00 6.60 7.74 0.00 0.00 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 R 7.53 4.56 0.00 1.79 1.90 0.00 3.19 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 48 A 8.54 4.28 1.24 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 0.00 0.00 0.00 49 V 8.79 4.21 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 1.04 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.62 0.00 2.10 1.96 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 51 L 8.47 3.98 0.00 1.57 1.60 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 4.32 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 1.19 0.00 0.00 54 T 8.38 4.37 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 55 L 8.88 4.21 0.00 1.70 1.48 0.88 1.01 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 56 M 8.45 4.70 0.00 2.10 1.98 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 2.60 2.46 0.00 57 P 0.00 4.08 0.00 2.26 2.40 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 58 D 8.00 4.64 0.00 2.80 2.81 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 59 M 8.12 4.43 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 60 V 7.30 4.60 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 1.08 0.00 0.00 0.80 0.00 0.00 61 K 8.87 4.06 0.00 1.90 1.78 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.03 3.95 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 0.00 0.00 0.00 63 Y 7.57 4.25 0.00 2.84 2.86 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 0.00 0.00 0.00 64 A 7.42 4.35 1.06 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 0.00 0.00 0.00 0.00 0.00 65 A 7.98 3.91 0.92 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 0.00 0.00