NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1216 7.8833 121.0452 60.7573 40.0513 174.1705 2 R 4.4300 8.2108 128.0747 55.1505 30.9239 173.6460 3 C 5.2367 9.2739 121.9888 54.5984 45.2529 173.2034 4 F 4.6664 8.4107 119.7396 57.9831 38.3552 175.1674 5 I 4.3966 8.2964 125.1722 60.2672 39.2628 175.3995 6 T 4.8361 8.3292 120.8452 61.5317 70.8094 172.2481 7 P 4.7414 0.0000 0.0000 62.9422 31.8128 175.5226 8 D 4.6985 7.1838 117.9445 54.2065 41.6886 177.1836 9 I 3.6113 8.1777 122.2521 63.5830 37.3907 175.9756 10 T 4.8909 7.6636 114.7415 60.3905 70.2067 172.9902 11 S 4.6839 8.4065 118.4527 57.0033 64.9305 173.4944 12 K 4.6138 8.2912 119.9051 54.7878 37.0106 175.1327 13 D 4.5795 8.6484 121.8547 53.6769 41.4378 176.6691 14 C 4.7302 8.1113 124.0508 54.3139 39.3052 172.3613 15 P 4.0189 0.0000 0.0000 64.7103 31.6097 178.2549 16 N 3.9162 8.0262 121.1783 54.5939 34.5781 174.2098 17 G 3.7995 7.7920 109.3830 45.0578 0.0000 171.8689 18 H 4.5348 8.3848 122.7566 57.0957 29.2782 176.2783 19 V 4.7584 8.0001 112.0489 59.7372 36.1586 173.7437 20 C 5.2665 8.8715 122.1436 55.9480 41.3069 172.4184 21 Y 5.3959 8.7016 121.3637 55.7864 41.5933 174.8444 22 T 4.8701 8.6966 116.4109 61.5009 70.2479 172.6030 23 K 4.7116 8.9515 125.0477 56.6185 34.0960 176.1173 24 T 5.0348 9.1036 114.3958 60.2087 72.1770 172.7090 25 W 5.5070 8.6108 122.5446 54.9483 32.2487 172.8742 26 C 4.9102 9.0715 122.5197 55.6981 43.6860 172.4335 27 D 4.9826 8.6544 129.2042 53.0357 40.2118 176.4856 28 A 4.2558 8.8017 118.8792 55.2449 18.2084 179.2301 29 F 4.4208 8.5176 113.6278 59.0105 38.9954 175.5048 30 C 5.4983 7.9987 120.4217 56.8051 44.9767 176.0239 31 S 3.9274 7.9865 114.4069 61.1632 61.9941 174.6646 32 I 3.8950 6.9095 120.9569 62.2547 37.4246 176.3309 33 R 4.1131 7.3134 122.3721 55.7017 31.1630 175.5170 34 G 3.6572 7.8308 104.1793 43.3414 0.0000 173.1923 35 K 4.2567 8.2206 117.7684 56.5030 32.7290 177.5295 36 R 3.8694 8.2558 123.9043 56.3192 31.3274 175.7232 37 V 4.7536 7.8178 117.1101 58.4755 35.1329 174.2852 38 D 4.8418 8.7620 125.7280 52.7420 42.6764 175.5233 39 L 4.7036 8.7934 126.0986 53.2410 43.8441 176.6391 40 G 3.7605 6.0779 103.8685 46.6099 0.0000 168.5978 41 C 5.7821 7.9958 113.3012 53.9783 40.0428 172.5639 42 A 4.6025 8.4997 119.2830 51.4359 22.3113 177.7940 43 A 3.9414 8.8235 121.9876 55.0438 18.5805 177.7961 44 T 4.6543 7.3962 102.0908 59.3622 72.1809 173.7941 45 C 4.3764 8.6026 122.1292 55.7933 44.0367 171.4881 46 P 4.5137 0.0000 0.0000 62.2068 31.9034 176.0327 47 T 3.9686 8.0665 115.3596 63.4973 68.8977 174.4134 48 V 4.2315 7.9458 123.4120 60.8493 32.5069 175.8414 49 K 4.1279 8.2561 126.8747 56.0763 32.7321 176.3203 50 T 4.1881 8.1878 116.8474 63.4953 67.6258 172.6952 51 G 4.1823 9.1602 116.9995 45.4982 0.0000 173.8879 52 V 3.8255 6.8811 117.5636 63.5045 32.3829 175.1779 53 D 4.9885 8.9530 125.3642 52.5125 43.8019 174.4440 54 I 4.9878 8.3751 125.1147 59.7169 41.6027 175.0684 55 Q 4.3914 8.4271 125.9661 55.9563 31.0591 172.7003 56 C 5.4302 8.5640 124.1074 56.2321 37.7801 171.4697 57 C 4.8914 8.2459 113.7482 55.7732 45.0034 174.4982 58 S 4.5482 8.5875 110.4496 58.4938 64.8831 174.2426 59 T 4.1774 7.8234 117.7762 62.3699 69.0268 173.5217 60 D 4.1809 8.7323 125.7318 55.5917 40.7334 174.9655 61 N 4.0430 8.5708 124.5041 53.4852 35.3586 171.7576 62 C 5.1100 8.4084 110.5979 54.6030 43.0964 174.8015 63 N 5.0657 8.1987 116.4569 52.0239 37.4792 172.8484 64 P 4.2052 0.0000 0.0000 62.9297 31.7695 174.7767 65 F 4.3217 8.2713 120.6880 57.6967 39.7737 173.8168 66 P 4.6321 0.0000 0.0000 62.2323 33.5167 174.7672 67 T 4.2965 8.1762 113.4451 65.9078 71.1920 174.8852 68 R 4.1046 7.6464 122.5878 56.6751 30.1531 176.5550 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 I 7.88 4.12 1.86 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 1.32 1.26 0.93 0.00 0.00 2 R 8.21 4.43 0.00 1.87 1.69 0.00 3.03 0.00 0.00 3.14 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.45 0.00 3 C 9.27 5.24 0.00 2.75 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 4 F 8.41 4.67 0.00 3.00 2.92 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 5 I 8.30 4.40 1.87 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 1.17 1.06 0.90 0.00 0.00 6 T 8.33 4.84 4.52 0.00 0.00 0.00 0.00 0.00 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 7 P 0.00 4.74 0.00 2.14 2.12 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 8 D 7.18 4.70 0.00 2.54 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 9 I 8.18 3.61 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.21 0.76 0.00 0.00 10 T 7.66 4.89 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 1.22 0.00 0.00 11 S 8.41 4.68 0.00 3.51 2.84 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 12 K 8.29 4.61 0.00 1.57 1.64 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.48 7.81 13 D 8.65 4.58 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.11 4.73 0.00 3.02 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 15 P 0.00 4.02 0.00 2.15 1.98 0.00 3.57 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 16 N 8.03 3.92 0.00 2.69 2.80 0.00 0.00 7.13 7.65 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 17 G 7.79 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 0.00 0.00 0.00 18 H 8.38 4.53 0.00 3.22 3.39 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.00 4.76 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 0.92 0.00 0.00 1.10 0.00 0.00 20 C 8.87 5.27 0.00 2.95 3.26 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 21 Y 8.70 5.40 0.00 3.00 3.05 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 22 T 8.70 4.87 4.32 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 1.25 0.00 0.00 23 K 8.95 4.71 0.00 2.17 2.14 0.00 2.01 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.56 1.66 7.81 24 T 9.10 5.03 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 1.18 0.00 0.00 25 W 8.61 5.51 0.00 3.37 3.31 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 26 C 9.07 4.91 0.00 3.06 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 27 D 8.65 4.98 0.00 3.03 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 28 A 8.80 4.26 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 29 F 8.52 4.42 0.00 3.19 3.19 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 30 C 8.00 5.50 0.00 3.34 3.20 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 0.00 0.00 0.00 0.00 31 S 7.99 3.93 0.00 3.87 3.88 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 32 I 6.91 3.90 1.61 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.37 0.79 0.00 0.00 33 R 7.31 4.11 0.00 1.81 1.94 0.00 2.97 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.37 0.00 34 G 7.83 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.26 0.00 1.53 1.71 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 36 R 8.26 3.87 0.00 1.12 0.66 0.00 3.06 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 37 V 7.82 4.75 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 0.91 0.00 0.00 1.03 0.00 0.00 38 D 8.76 4.84 0.00 2.89 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 39 L 8.79 4.70 0.00 1.56 1.69 1.03 1.12 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 40 G 6.08 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 5.78 0.00 3.09 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 42 A 8.50 4.60 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 3.94 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 44 T 7.40 4.65 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 1.23 0.00 0.00 45 C 8.60 4.38 0.00 2.98 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 46 P 0.00 4.51 0.00 2.03 1.78 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.35 0.00 47 T 8.07 3.97 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 1.18 0.00 0.00 48 V 7.95 4.23 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 0.84 0.00 0.00 0.92 0.00 0.00 49 K 8.26 4.13 0.00 1.75 1.61 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.54 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.43 1.34 7.81 50 T 8.19 4.19 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 1.19 0.00 0.00 51 G 9.16 4.18 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 0.00 52 V 6.88 3.83 2.17 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 0.79 0.00 0.00 0.95 0.00 0.00 53 D 8.95 4.99 0.00 2.98 2.54 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 0.00 54 I 8.38 4.99 1.91 0.00 0.00 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 1.25 0.99 0.94 0.00 0.00 55 Q 8.43 4.39 0.00 2.32 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 56 C 8.56 5.43 0.00 2.94 3.05 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 57 C 8.25 4.89 0.00 2.98 3.19 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 58 S 8.59 4.55 0.00 3.83 3.86 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 59 T 7.82 4.18 4.26 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 1.23 0.00 0.00 60 D 8.73 4.18 0.00 2.62 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 61 N 8.57 4.04 0.00 2.80 2.90 0.00 0.00 6.81 7.00 0.00 0.00 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 C 8.41 5.11 0.00 3.06 3.25 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 0.00 63 N 8.20 5.07 0.00 2.86 2.94 0.00 0.00 6.16 7.75 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 64 P 0.00 4.21 0.00 2.07 1.89 0.00 3.93 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 2.02 2.05 0.00 65 F 8.27 4.32 0.00 2.71 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 66 P 0.00 4.63 0.00 2.03 1.96 0.00 2.97 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 67 T 8.18 4.30 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 1.20 0.00 0.00 68 R 7.65 4.10 0.00 1.78 1.61 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00