NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0549 8.0544 120.3200 61.2896 32.7002 174.5696 7 D 4.4084 8.6415 121.1568 53.9537 41.2557 175.2569 8 C 5.1800 8.5350 124.6475 56.7153 41.9125 175.7909 9 S 4.0519 8.7581 118.2270 61.6288 62.4712 174.9712 10 E 4.2375 8.2012 117.4501 56.2883 29.0479 175.4260 11 Y 4.6026 7.5496 116.5415 55.0887 41.0676 173.8286 12 P 4.9072 0.0000 0.0000 62.5069 31.1180 175.7247 13 K 4.6635 9.1249 119.3184 53.8988 34.6453 175.9544 14 P 4.3197 0.0000 0.0000 64.6616 31.7568 176.1418 15 A 4.7860 7.3824 119.2733 50.5807 22.2257 174.4053 16 C 5.1315 8.5116 117.0608 55.0558 43.3058 174.4463 17 T 4.2887 8.2596 112.9458 61.3149 69.4779 174.2594 18 L 4.3839 8.2508 119.2751 54.7010 41.8342 176.8626 19 E 3.8941 7.9386 121.2580 56.4937 29.6182 175.6586 20 Y 4.6549 8.5683 128.1714 56.4294 38.7247 174.6771 21 R 4.5689 8.4206 127.4749 52.9454 31.5494 172.6239 22 P 4.7227 0.0000 0.0000 62.5936 33.0348 175.6692 23 L 4.9676 8.6079 121.0558 53.8772 44.4339 173.9100 24 C 4.9309 8.7874 122.7740 55.1234 45.9664 173.4927 25 G 4.5742 9.1757 114.6607 45.6319 0.0000 174.3412 26 S 4.3872 9.1522 115.6031 60.0307 63.0054 174.8104 27 D 4.5738 8.1436 119.4890 53.0883 39.6552 176.0907 28 N 4.2437 8.1621 116.0168 54.2205 36.7527 173.6111 29 K 4.1305 8.1496 119.7029 55.5011 33.1134 176.0512 30 T 4.6622 8.0682 122.8898 62.3851 68.2936 174.2422 31 Y 4.1918 8.7913 125.6499 57.3394 38.8475 177.8526 32 G 3.6479 8.8615 112.0317 48.3467 0.0000 172.7742 33 N 5.2427 7.5836 117.2124 51.7348 40.8375 175.0195 34 K 3.9330 8.4186 120.6166 59.6611 32.0116 178.9042 35 C 3.9667 8.2126 118.2489 59.7999 38.5836 175.2071 36 N 4.2871 8.6454 118.0841 56.1108 38.0209 177.2136 37 F 3.1015 8.1903 121.9593 61.3249 39.5234 176.6079 38 C 3.7329 8.2970 116.3236 59.7898 40.6620 175.8146 39 N 4.2173 8.1452 118.0659 56.3476 38.0495 177.3055 40 A 3.8802 7.6423 121.8609 54.7828 18.3650 179.7767 41 V 3.1810 7.1891 117.1059 65.9578 31.5208 178.4301 42 V 3.4595 7.5617 117.7639 66.0695 31.2076 177.3934 43 E 3.9477 8.0154 117.9464 59.3211 29.6006 178.3025 44 S 4.2832 8.2780 112.0415 58.2201 63.0766 173.9345 45 N 4.1601 8.7955 118.9484 54.7569 36.2783 175.1572 46 G 3.9047 8.1720 104.0234 46.1216 0.0000 175.5390 47 T 4.0747 7.4949 111.3289 63.3958 69.3570 175.4191 48 L 4.1319 7.7884 124.4874 54.8472 42.6715 175.4978 49 T 4.8874 8.6433 114.9000 59.6931 72.9946 172.0802 50 L 4.2361 8.3625 123.8138 54.3677 42.2215 176.0599 51 S 4.3695 8.8621 122.6902 60.9260 62.7259 173.5342 52 H 4.5969 7.1807 112.1511 54.6248 31.0997 173.0578 53 F 4.0790 8.6700 118.7388 58.4673 39.1784 175.9279 54 G 3.9360 8.8981 110.2172 44.2733 0.0000 172.8271 55 K 4.1722 8.1040 117.5477 56.0355 32.6756 178.2813 56 C 4.5353 8.7783 119.2301 57.4907 41.0170 173.7371 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 6 V 8.05 4.05 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 0.96 0.00 0.00 1.08 0.00 0.00 7 D 8.64 4.41 0.00 2.79 2.70 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 8 C 8.54 5.18 0.00 3.01 3.06 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 9 S 8.76 4.05 0.00 3.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.24 0.00 1.71 1.72 0.00 0.00 0.00 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 2.31 0.00 11 Y 7.55 4.60 0.00 3.14 2.85 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 12 P 0.00 4.91 0.00 2.21 2.08 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 13 K 9.12 4.66 0.00 1.89 1.71 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.60 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.13 0.96 7.81 14 P 0.00 4.32 0.00 2.18 2.19 0.00 3.70 0.00 0.00 3.65 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 15 A 7.38 4.79 1.23 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 16 C 8.51 5.13 0.00 3.00 3.04 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 0.00 0.00 0.00 17 T 8.26 4.29 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 1.25 0.00 0.00 18 L 8.25 4.38 0.00 1.70 1.79 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.94 3.89 0.00 1.95 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 2.36 2.29 0.00 20 Y 8.57 4.65 0.00 2.98 2.96 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 21 R 8.42 4.57 0.00 1.67 1.74 0.00 3.16 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 22 P 0.00 4.72 0.00 2.02 1.87 0.00 3.46 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 23 L 8.61 4.97 0.00 1.13 1.59 0.40 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.79 4.93 0.00 2.95 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.18 4.57 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 0.00 26 S 9.15 4.39 0.00 3.99 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 27 D 8.14 4.57 0.00 2.86 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 28 N 8.16 4.24 0.00 2.91 2.97 0.00 0.00 6.81 7.28 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 29 K 8.15 4.13 0.00 1.65 1.73 0.00 1.35 0.00 0.00 1.06 0.00 0.00 2.18 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.33 1.03 7.81 30 T 8.07 4.66 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 1.23 0.00 0.00 31 Y 8.79 4.19 0.00 3.26 2.98 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 32 G 8.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.58 5.24 0.00 2.97 3.07 0.00 0.00 6.36 6.86 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 34 K 8.42 3.93 0.00 1.90 1.89 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.52 7.81 35 C 8.21 3.97 0.00 3.21 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.29 0.00 3.05 3.07 0.00 0.00 6.73 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 37 F 8.19 3.10 0.00 2.87 2.97 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 0.00 0.00 0.00 38 C 8.30 3.73 0.00 1.77 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 39 N 8.15 4.22 0.00 2.92 2.86 0.00 0.00 6.89 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 40 A 7.64 3.88 1.18 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 41 V 7.19 3.18 1.83 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 0.82 0.00 0.00 -0.04 0.00 0.00 42 V 7.56 3.46 2.18 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 0.92 0.00 0.00 0.98 0.00 0.00 43 E 8.02 3.95 0.00 2.03 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 0.00 2.31 2.32 0.00 44 S 8.28 4.28 0.00 4.04 4.15 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 0.00 0.00 0.00 45 N 8.80 4.16 0.00 2.89 2.92 0.00 0.00 6.98 7.24 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 46 G 8.17 3.90 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 0.00 0.00 0.00 47 T 7.49 4.07 4.23 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 1.23 0.00 0.00 48 L 7.79 4.13 0.00 1.55 1.43 1.10 0.37 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 49 T 8.64 4.89 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 1.22 0.00 0.00 50 L 8.36 4.24 0.00 1.08 1.32 -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.86 4.37 0.00 3.89 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 52 H 7.18 4.60 0.00 3.23 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.67 4.08 0.00 3.09 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 54 G 8.90 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 55 K 8.10 4.17 0.00 1.80 1.79 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 56 C 8.78 4.54 0.00 2.96 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