NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4394 8.3044 118.1944 54.7294 32.7136 175.0972 2 V 3.4338 8.5727 119.6467 65.1471 31.4306 174.9452 3 I 4.3969 7.8818 124.8786 59.3492 39.1170 174.5172 4 A 4.5020 8.7610 128.8179 51.0351 20.1576 178.2474 5 T 3.8699 8.6199 116.4387 67.2767 68.2276 176.6275 6 D 4.4813 8.1154 118.5272 57.2455 40.8815 177.9012 7 D 4.5444 8.1508 118.1365 55.8452 41.2539 177.6326 8 L 4.5110 8.0841 119.8742 55.1121 42.5072 175.7241 9 E 5.2922 7.2027 113.7741 55.3803 32.8008 174.6325 10 T 4.7760 9.1692 110.0620 59.8657 72.8851 173.1626 11 T 4.2164 8.6991 118.6936 64.4999 69.1305 173.3868 12 C 4.3012 8.9832 127.7064 58.8632 31.9223 172.8990 13 P 4.2831 0.0000 0.0000 65.3938 31.4828 177.3397 14 N 4.4203 8.3022 117.3422 56.2139 39.1037 175.1752 15 C 4.4387 8.0003 110.1407 57.0875 30.2264 173.2720 16 N 4.2869 9.0667 117.1875 55.0567 37.6140 174.6650 17 G 4.1240 8.2311 104.4798 45.0883 0.0000 176.2166 18 S 4.1841 7.8103 113.5821 59.0236 63.4950 175.5590 19 G 3.9966 8.2252 108.0533 45.8086 0.0000 172.8755 20 R 5.0026 7.7529 117.2915 54.3612 33.7598 175.3797 21 E 4.6886 9.0381 119.5899 57.1753 29.6455 174.7042 22 E 3.8475 7.3989 117.8005 54.7780 30.8835 175.7963 23 P 4.7171 0.0000 0.0000 62.8392 31.9009 175.2094 24 E 4.7436 7.6453 118.4777 53.9895 32.2871 173.8128 25 P 4.6868 0.0000 0.0000 62.3596 32.3096 175.8936 26 C 4.1966 8.7378 121.7998 58.9716 31.7295 172.9277 27 P 4.4152 0.0000 0.0000 64.6831 31.4313 177.2101 28 K 4.1528 8.0294 119.8130 57.9310 32.6733 176.5715 29 C 4.6515 7.8683 110.6957 56.6725 30.4145 173.4141 30 L 3.6160 8.8555 121.0120 56.3689 40.7127 175.2664 31 G 4.0033 8.3358 103.9893 45.0417 0.0000 176.0150 32 K 4.0462 8.0411 119.5599 57.1132 32.5001 179.0279 33 G 3.9539 8.5853 105.4447 46.2060 0.0000 172.8566 34 V 5.1355 7.2051 111.2364 59.5329 36.0343 174.5610 35 I 4.6836 8.9052 115.8378 58.9095 41.0933 174.5565 36 L 4.8168 8.3917 122.6874 54.7194 42.7081 177.1127 37 T 4.3573 8.4410 112.9857 60.6746 70.9503 175.7069 38 A 3.9558 8.6406 122.6224 55.4383 18.3458 179.4495 39 Q 4.0239 8.1518 117.7018 59.2584 29.1455 178.7063 40 G 3.5691 8.0272 106.8252 47.8424 0.0000 175.7202 41 S 4.1708 8.4390 116.1476 61.2391 62.4585 176.4306 42 T 3.8812 8.0690 118.4712 66.6557 68.2703 176.7031 43 L 4.0909 7.8756 120.7728 57.6713 41.6017 179.3405 44 L 3.9891 8.0804 120.2871 58.4395 41.9983 178.4423 45 H 4.0999 8.3177 118.2145 59.1289 29.7742 176.8434 46 F 4.2868 8.2674 122.1477 61.4958 39.2029 177.1556 47 I 3.4061 7.9033 119.1481 64.2617 36.9409 178.4706 48 K 3.8212 8.2705 119.6557 59.3719 31.6651 179.1669 49 K 3.6376 7.7807 118.5513 59.6889 32.1994 177.9599 50 H 4.4010 7.6428 113.8661 57.0151 29.1501 176.7188 51 I 4.0468 7.8637 120.8620 60.9408 37.2859 178.1359 52 H 3.4731 8.1099 115.1725 56.5016 28.6448 174.6335 53 E 4.2688 8.8412 123.4845 56.3138 29.5717 175.5847 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 8.30 4.44 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 2 V 8.57 3.43 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.88 4.40 1.87 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 1.34 0.79 0.91 0.00 0.00 4 A 8.76 4.50 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 5 T 8.62 3.87 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 6 D 8.12 4.48 0.00 2.64 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 7 D 8.15 4.54 0.00 2.80 2.72 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 0.00 0.00 0.00 8 L 8.08 4.51 0.00 1.81 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.20 5.29 0.00 2.03 1.87 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 2.35 2.31 0.00 10 T 9.17 4.78 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 11 T 8.70 4.22 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 12 C 8.98 4.30 0.00 2.94 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 13 P 0.00 4.28 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 N 8.30 4.42 0.00 2.69 2.87 0.00 0.00 6.90 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 15 C 8.00 4.44 0.00 3.21 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 16 N 9.07 4.29 0.00 2.79 2.89 0.00 0.00 7.33 7.83 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 17 G 8.23 4.12 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 0.00 0.00 0.00 18 S 7.81 4.18 0.00 3.95 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 19 G 8.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 5.00 0.00 1.80 1.80 0.00 3.27 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 21 E 9.04 4.69 0.00 1.88 1.76 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 2.19 2.25 0.00 22 E 7.40 3.85 0.00 2.01 1.84 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 2.32 2.30 0.00 23 P 0.00 4.72 0.00 2.17 2.12 0.00 3.71 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 1.95 1.97 0.00 24 E 7.65 4.74 0.00 1.93 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 2.22 2.34 0.00 25 P 0.00 4.69 0.00 2.17 2.05 0.00 3.77 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 26 C 8.74 4.20 0.00 2.96 2.94 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 27 P 0.00 4.42 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.69 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 28 K 8.03 4.15 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.42 7.81 29 C 7.87 4.65 0.00 3.25 3.10 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 30 L 8.86 3.62 0.00 1.78 1.75 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.05 0.00 1.92 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 33 G 8.59 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 34 V 7.21 5.14 2.15 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 0.74 0.00 0.00 0.97 0.00 0.00 35 I 8.91 4.68 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 1.36 1.01 0.91 0.00 0.00 36 L 8.39 4.82 0.00 1.56 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.44 4.36 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 38 A 8.64 3.96 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 39 Q 8.15 4.02 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 40 G 8.03 3.57 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 41 S 8.44 4.17 0.00 3.89 4.02 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 42 T 8.07 3.88 4.40 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 1.20 0.00 0.00 43 L 7.88 4.09 0.00 1.76 1.78 0.94 0.52 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 44 L 8.08 3.99 0.00 1.90 1.70 0.94 0.76 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 45 H 8.32 4.10 0.00 3.37 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.27 4.29 0.00 3.12 3.28 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 0.00 47 I 7.90 3.41 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.74 0.88 0.00 0.00 48 K 8.27 3.82 0.00 1.74 1.78 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.56 7.81 49 K 7.78 3.64 0.00 1.62 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.11 1.30 7.81 50 H 7.64 4.40 0.00 2.72 3.14 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.86 4.05 1.90 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 1.47 1.03 0.92 0.00 0.00 52 H 8.11 3.47 0.00 3.23 3.41 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.84 4.27 0.00 1.81 1.81 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 2.24 2.42 0.00