NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5321 8.1633 120.3350 54.7760 33.9302 176.3263 2 K 3.6639 8.5813 119.1298 59.5656 32.0228 178.0078 3 Y 3.8737 8.6717 117.6535 60.9677 38.4138 178.1321 4 L 4.1354 8.1518 119.1567 57.9253 41.7947 179.3176 5 A 4.0230 7.9297 120.2216 54.9947 18.2026 179.5053 6 A 3.8360 7.9279 119.1595 55.6940 18.3034 179.5843 7 Y 4.0309 8.0617 115.0647 60.8560 38.0562 178.3779 8 L 4.1482 8.0895 120.0599 57.8438 41.2290 179.5111 9 L 4.0170 8.1915 119.0041 57.8905 41.5593 179.6337 10 L 4.0570 7.7789 118.6036 57.8390 41.1134 179.3438 11 N 4.3688 8.2725 116.3624 56.1152 38.2177 177.2201 12 A 4.0433 7.7584 120.8358 55.2633 18.5907 179.3894 13 A 4.1337 7.5022 117.0366 53.5672 18.3980 178.6430 14 G 4.0791 9.2525 104.8856 45.1166 0.0000 172.8685 15 N 5.0571 7.5195 114.4295 52.2399 42.5859 173.8030 16 T 4.4825 8.0217 108.8291 60.8718 71.3904 170.4461 17 P 4.9172 0.0000 0.0000 61.7602 33.6791 172.9483 18 D 4.0962 8.3251 113.9921 59.4149 40.2416 179.5910 19 A 4.0152 8.3607 123.1678 55.7531 19.5942 180.3979 20 T 4.0111 8.0646 104.7147 64.1845 69.2478 174.7870 21 K 4.3746 7.9074 118.7785 57.3162 34.8751 178.3665 22 I 3.3997 7.6606 119.0463 64.3207 36.9123 178.7477 23 K 3.9557 7.9667 118.9273 59.2278 31.7993 179.3130 24 A 3.9498 7.3366 118.1079 55.1619 18.3227 179.7973 25 I 3.6645 7.8769 119.9337 64.0604 37.1994 178.7722 26 L 3.9105 7.5520 119.6586 57.7304 41.4763 179.4141 27 E 4.1000 8.1749 118.9082 59.3949 29.1929 179.5396 28 S 4.1341 8.1996 114.4206 61.3984 62.7239 176.7542 29 V 3.6942 7.5011 121.2702 64.1594 31.2446 176.8120 30 G 4.0121 7.8254 105.1171 45.0614 0.0000 172.8992 31 I 4.4169 7.2080 119.6036 59.1873 39.0992 175.1709 32 E 4.2643 8.4942 123.2068 55.8445 30.1206 176.5148 33 I 4.2244 8.1417 124.8097 60.5228 38.5245 175.7686 34 E 4.3562 8.8898 124.8312 55.7962 30.6307 177.8538 35 D 4.4361 8.7521 124.2950 57.4962 41.0652 178.6706 36 E 4.0210 8.0209 119.9146 58.8295 29.5908 179.4194 37 K 3.7761 7.7711 119.3465 58.6712 31.9935 179.4407 38 V 3.9266 7.9046 119.7787 65.4681 30.9669 178.2611 39 S 4.1522 8.3672 114.5507 61.4039 62.7654 176.6141 40 S 4.1464 8.0049 119.3881 60.5745 62.7259 176.6830 41 V 3.4997 7.6030 121.9817 65.4423 31.3385 177.9920 42 L 3.9833 8.1245 119.0862 57.7582 41.3847 179.6570 43 S 4.1115 8.2712 114.1008 61.4089 62.6828 176.4093 44 A 4.0394 7.7599 123.4812 54.8498 18.4938 179.3017 45 L 4.0270 7.9112 117.4965 56.5908 41.5982 177.8365 46 E 4.0567 7.3909 117.9039 58.0615 29.7196 177.2405 47 G 3.9076 8.9439 110.8107 45.8571 0.0000 172.8321 48 K 4.4775 7.7410 118.0975 54.2438 34.2153 177.1060 49 S 4.5419 8.2531 118.1834 57.1119 63.8602 175.1509 50 V 3.5985 8.1771 127.9990 66.0793 31.2727 177.3780 51 D 4.3972 8.0151 118.3182 57.2965 40.1484 178.4170 52 E 3.9974 8.0919 118.7381 59.2907 29.3451 179.1365 53 L 4.2109 7.5124 118.1904 57.8278 41.7420 179.1886 54 I 3.8636 7.4866 118.7678 64.5026 37.0914 178.1914 55 T 3.9879 7.3634 109.6696 63.9232 68.9819 175.0659 56 E 4.0358 7.2209 121.3776 55.8988 30.0474 176.5663 57 G 4.1638 8.4221 111.7999 44.1518 0.0000 173.3718 58 N 4.5750 8.4277 118.2410 53.2291 39.5378 174.4445 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 M 8.16 4.53 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 2 K 8.58 3.66 0.00 1.51 1.48 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 3 Y 8.67 3.87 0.00 3.21 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.14 0.00 1.77 1.79 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.93 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 3.84 1.19 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 7 Y 8.06 4.03 0.00 3.10 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 8 L 8.09 4.15 0.00 1.93 1.76 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.19 4.02 0.00 1.83 1.70 0.90 0.86 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 10 L 7.78 4.06 0.00 1.88 1.96 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.27 4.37 0.00 2.97 2.90 0.00 0.00 6.86 7.68 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 12 A 7.76 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 4.13 1.35 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 0.00 0.00 14 G 9.25 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.52 5.06 0.00 2.68 2.68 0.00 0.00 6.89 7.54 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 16 T 8.02 4.48 4.37 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 1.36 0.00 0.00 17 P 0.00 4.92 0.00 2.21 2.17 0.00 3.80 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 2.04 1.96 0.00 18 D 8.33 4.10 0.00 2.75 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 19 A 8.36 4.02 1.30 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 0.00 0.00 0.00 20 T 8.06 4.01 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 21 K 7.91 4.37 0.00 1.74 1.76 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.40 7.81 22 I 7.66 3.40 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.28 0.71 0.00 0.00 23 K 7.97 3.96 0.00 2.02 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 24 A 7.34 3.95 1.35 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 0.00 0.00 25 I 7.88 3.66 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.31 0.82 0.00 0.00 26 L 7.55 3.91 0.00 1.51 1.54 0.45 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.17 4.10 0.00 2.20 1.97 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 2.31 2.39 0.00 28 S 8.20 4.13 0.00 4.02 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 29 V 7.50 3.69 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 30 G 7.83 4.01 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 0.00 0.00 0.00 31 I 7.21 4.42 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.87 0.00 0.00 32 E 8.49 4.26 0.00 1.97 1.90 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 2.30 2.32 0.00 33 I 8.14 4.22 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 1.09 0.00 0.00 34 E 8.89 4.36 0.00 2.13 1.91 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 2.37 2.44 0.00 35 D 8.75 4.44 0.00 2.70 2.74 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 0.00 0.00 0.00 0.00 36 E 8.02 4.02 0.00 1.97 1.96 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 2.39 2.26 0.00 37 K 7.77 3.78 0.00 1.31 0.74 0.00 1.95 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.19 7.81 38 V 7.90 3.93 2.31 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 1.25 0.00 0.00 1.23 0.00 0.00 39 S 8.37 4.15 0.00 4.08 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 40 S 8.00 4.15 0.00 4.01 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 41 V 7.60 3.50 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 0.06 0.00 0.00 0.93 0.00 0.00 42 L 8.12 3.98 0.00 1.90 1.74 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.27 4.11 0.00 4.03 4.11 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 0.00 0.00 0.00 44 A 7.76 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.03 0.00 1.80 1.68 0.54 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.39 4.06 0.00 2.08 1.91 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 2.35 2.50 0.00 47 G 8.94 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 48 K 7.74 4.48 0.00 1.90 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.31 7.81 49 S 8.25 4.54 0.00 4.04 4.03 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 V 8.18 3.60 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 1.07 0.00 0.00 0.93 0.00 0.00 51 D 8.02 4.40 0.00 2.73 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 52 E 8.09 4.00 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 53 L 7.51 4.21 0.00 1.69 1.73 0.90 1.01 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 54 I 7.49 3.86 2.04 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 1.58 0.62 0.92 0.00 0.00 55 T 7.36 3.99 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 1.29 0.00 0.00 56 E 7.22 4.04 0.00 2.16 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 2.34 2.26 0.00 57 G 8.42 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.43 4.57 0.00 2.66 2.66 0.00 0.00 6.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00