NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3039 8.3149 120.1296 56.2932 33.4548 175.8925 2 D 4.2938 8.6254 122.7840 55.1175 41.1987 174.9170 3 R 4.4152 8.0422 113.4477 54.0428 33.0205 172.4964 4 P 4.2823 0.0000 0.0000 62.6548 32.0197 177.6250 5 D 4.4150 8.6157 121.0334 57.1644 40.7254 178.9767 6 F 4.4575 8.0593 114.6112 59.5977 37.6925 177.7301 7 C 4.5398 7.3269 116.0401 59.0948 39.9736 174.5358 8 E 4.3426 7.9161 118.4302 55.4980 29.8963 176.4317 9 L 4.2508 7.2787 119.9658 53.6206 42.3646 175.3355 10 P 4.3274 0.0000 0.0000 62.0671 31.9995 176.1130 11 A 3.1688 7.7394 122.4850 52.5458 18.3687 177.1166 12 D 4.5613 7.8663 120.2254 52.9168 43.5051 176.2405 13 T 4.3557 8.2269 123.9746 64.1630 68.8128 175.9475 14 G 4.0706 8.6355 110.7299 44.1229 0.0000 171.2970 15 P 4.4671 0.0000 0.0000 63.4215 32.0995 176.7193 16 C 4.7159 7.6775 117.2794 56.3447 41.5616 173.2141 17 R 4.7315 8.0836 117.4805 56.0620 30.6153 176.4319 18 V 3.9056 7.8420 120.2052 61.6401 32.1952 175.2424 19 R 4.4569 8.2814 128.1396 55.5972 30.3240 176.1508 20 F 4.6791 9.2340 124.9975 54.8459 40.7478 174.1107 21 P 4.5702 0.0000 0.0000 63.3360 31.8097 175.9704 22 S 4.8704 8.8489 119.3491 57.3793 68.2636 172.5555 23 F 5.7995 9.6987 118.7240 56.2534 42.7586 174.3254 24 Y 5.6060 9.3024 119.1033 55.4843 41.8769 173.5167 25 Y 4.5629 9.8273 123.4358 57.4384 40.4853 173.6358 26 N 4.8312 8.2473 126.7872 51.1707 39.4731 173.6157 27 P 4.0433 0.0000 0.0000 65.3658 32.0577 177.6082 28 D 4.3929 8.1749 117.8940 57.2240 41.1572 176.8620 29 E 4.1118 8.4215 116.0047 56.2311 30.1061 176.3606 30 K 3.8845 7.3186 116.8360 56.0156 30.3836 174.9839 31 K 4.7115 6.8947 115.0298 54.8624 37.2250 177.2015 32 C 5.0881 8.7879 120.6615 56.3345 41.6090 173.0505 33 L 5.0752 8.6825 123.7317 52.6588 45.5070 175.3242 34 E 4.3046 8.7089 121.9837 55.6602 30.7036 175.1669 35 F 5.0964 9.1510 120.3079 55.6259 42.0563 172.8760 36 I 4.3846 8.3393 119.7929 60.3729 38.6916 174.1954 37 Y 4.8704 8.4953 128.9064 55.9962 40.6554 176.1186 38 G 3.9604 8.0852 112.9161 45.6076 0.0000 175.0782 39 G 4.1033 7.0192 108.3520 45.1750 0.0000 172.5457 40 C 5.0122 6.6751 111.9551 54.4093 45.6635 175.6555 41 E 3.2406 9.5636 119.8323 58.9721 28.0810 175.4546 42 G 4.0164 9.0626 113.5707 46.2205 0.0000 169.7509 43 N 4.9367 8.2192 117.1375 51.1690 40.4431 173.8557 44 A 3.7362 8.3661 119.4268 54.4502 18.8467 178.0682 45 N 4.8146 8.0164 116.5474 51.2674 37.2589 173.4082 46 N 4.8631 6.6318 115.9029 52.7257 41.2362 173.2617 47 F 5.1240 9.3043 125.2230 55.4999 42.3792 176.6211 48 I 4.0155 8.8134 117.2510 63.0839 38.2477 176.5081 49 T 4.8088 7.6267 110.5942 58.9024 73.0006 174.3841 50 K 3.0998 7.5747 122.1937 59.2510 32.0695 178.8909 51 E 3.8038 7.7801 118.4958 59.2508 29.4308 178.7286 52 E 3.8720 8.1215 119.3593 59.3161 29.6894 177.9894 53 C 2.4500 7.7072 117.9482 59.2358 38.2045 175.5213 54 E 3.7878 8.1382 120.4459 59.0075 28.7174 179.5492 55 S 4.0352 7.6105 113.9163 61.6889 63.3028 176.4319 56 T 4.0734 7.4529 118.3598 65.6268 68.4721 175.4922 57 C 4.1880 8.0495 114.8685 56.0359 40.8073 173.7743 58 A 3.8402 7.4370 129.2370 52.2388 18.8977 178.0571 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 K 8.31 4.30 0.00 1.74 1.77 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.45 7.81 2 D 8.63 4.29 0.00 2.69 2.65 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 3 R 8.04 4.42 0.00 1.53 1.57 0.00 2.90 0.00 0.00 2.57 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 4 P 0.00 4.28 0.00 1.04 1.91 0.00 3.22 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 1.83 2.03 0.00 5 D 8.62 4.42 0.00 2.72 2.75 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 6 F 8.06 4.46 0.00 3.25 3.34 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 7 C 7.33 4.54 0.00 2.90 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 8 E 7.92 4.34 0.00 2.15 2.04 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 2.39 2.38 0.00 9 L 7.28 4.25 0.00 1.81 1.64 1.01 0.99 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 10 P 0.00 4.33 0.00 2.08 2.01 0.00 3.79 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 1.95 1.94 0.00 11 A 7.74 3.17 -0.19 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 12 D 7.87 4.56 0.00 2.59 2.52 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 0.00 13 T 8.23 4.36 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 1.27 0.00 0.00 14 G 8.64 4.07 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 0.00 0.00 0.00 15 P 0.00 4.47 0.00 2.18 2.17 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 16 C 7.68 4.72 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 17 R 8.08 4.73 0.00 1.71 1.83 0.00 3.17 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 18 V 7.84 3.91 2.25 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 0.61 0.00 0.00 0.91 0.00 0.00 19 R 8.28 4.46 0.00 1.64 1.83 0.00 3.19 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 20 F 9.23 4.68 0.00 3.04 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 21 P 0.00 4.57 0.00 1.97 2.13 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 22 S 8.85 4.87 0.00 2.87 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 23 F 9.70 5.80 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.30 5.61 0.00 3.05 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 25 Y 9.83 4.56 0.00 3.09 3.16 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 26 N 8.25 4.83 0.00 2.28 2.42 0.00 0.00 6.57 7.51 0.00 0.00 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 4.04 0.00 2.25 2.30 0.00 3.79 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 1.98 2.00 0.00 28 D 8.17 4.39 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.11 0.00 1.84 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 2.42 2.36 0.00 30 K 7.32 3.88 0.00 1.89 1.93 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.34 7.81 31 K 6.89 4.71 0.00 1.46 1.56 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.33 7.81 32 C 8.79 5.09 0.00 2.85 3.11 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 33 L 8.68 5.08 0.00 0.98 1.49 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.71 4.30 0.00 1.64 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 2.01 1.62 0.00 35 F 9.15 5.10 0.00 3.10 3.03 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 36 I 8.34 4.38 1.87 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 1.22 1.37 0.87 0.00 0.00 37 Y 8.50 4.87 0.00 2.54 2.65 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 38 G 8.09 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 39 G 7.02 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 0.00 0.00 0.00 40 C 6.68 5.01 0.00 3.03 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 41 E 9.56 3.24 0.00 2.17 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 2.30 0.00 42 G 9.06 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 0.00 0.00 0.00 43 N 8.22 4.94 0.00 2.73 2.78 0.00 0.00 5.84 7.26 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 44 A 8.37 3.74 0.64 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 0.00 0.00 45 N 8.02 4.81 0.00 3.16 2.98 0.00 0.00 6.89 7.18 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 46 N 6.63 4.86 0.00 2.58 2.39 0.00 0.00 7.09 7.02 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 47 F 9.30 5.12 0.00 3.32 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 48 I 8.81 4.02 1.95 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 1.65 0.61 0.90 0.00 0.00 49 T 7.63 4.81 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 1.26 0.00 0.00 50 K 7.57 3.10 0.00 0.79 1.28 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.24 1.19 7.81 51 E 7.78 3.80 0.00 2.01 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 2.34 2.34 0.00 52 E 8.12 3.87 0.00 2.10 2.19 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 2.77 2.48 0.00 53 C 7.71 2.45 0.00 2.85 3.03 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 54 E 8.14 3.79 0.00 1.91 1.88 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 2.26 2.36 0.00 55 S 7.61 4.04 0.00 3.99 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 56 T 7.45 4.07 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 1.56 0.00 0.00 57 C 8.05 4.19 0.00 2.61 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 0.00 0.00 0.00 0.00 58 A 7.44 3.84 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