NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.7031 8.2993 120.1388 56.3772 33.8598 174.3434 2 K 4.7387 8.5115 125.4403 53.7790 35.9392 173.0215 3 N 5.1750 8.6413 116.1243 51.6680 40.9020 175.0406 4 G 4.0383 8.1776 106.9105 46.2005 0.0000 171.7389 5 Y 5.2895 7.8401 117.8481 57.1347 39.1394 175.3077 6 A 4.5631 8.9245 128.2700 51.2635 19.4828 176.5017 7 V 4.8637 8.4728 115.4948 60.1764 34.3066 175.9852 8 D 4.5314 8.9073 125.0002 56.3613 40.9019 177.6600 9 S 4.5612 7.6057 108.3033 57.9954 65.2029 174.0466 10 S 4.4968 8.0940 112.8684 57.5606 62.5617 175.8882 11 G 3.9750 8.3554 107.3750 45.4038 0.0000 173.0485 12 K 4.0880 7.6746 122.5915 55.6985 32.2207 176.8805 13 V 4.1439 8.2902 119.9686 61.6861 32.4384 176.9610 14 S 4.5480 8.4607 116.9598 59.5181 62.0240 175.5455 15 E 3.4834 8.8330 128.9463 56.4147 30.7499 175.3701 16 C 4.6806 9.2828 104.4027 55.9232 38.0710 172.6381 17 L 3.9173 8.9495 123.6396 58.0886 42.3407 178.6699 18 L 4.6632 7.3494 116.6479 53.1237 44.3658 176.0422 19 N 4.4209 8.8167 118.4097 56.9383 38.5745 177.2068 20 N 4.3248 8.3315 117.1720 56.5651 38.5107 176.6240 21 Y 4.0251 8.0394 120.1587 60.8458 39.0156 177.9412 22 C 4.0989 8.2427 119.1230 59.9844 40.6605 174.9314 23 N 4.1587 8.3758 118.3024 56.8676 38.4968 175.8199 24 N 4.2346 8.3846 118.4124 56.9938 39.0268 176.4721 25 I 3.5001 7.6046 120.9649 64.7400 37.1545 177.6664 26 C 4.1921 8.2366 119.3483 59.6447 39.7500 175.6445 27 T 3.9949 8.0176 113.1186 64.1402 68.0575 176.4854 28 K 3.9225 7.8763 121.6602 58.4664 32.3077 177.9648 29 V 3.9502 7.4971 116.1631 63.6166 33.0146 176.2389 30 Y 4.2963 7.5838 114.4954 57.0343 38.7710 175.7917 31 Y 3.5577 7.4731 114.9682 58.7671 35.6356 169.3975 32 A 4.1074 7.8657 121.6637 52.9463 19.0685 179.3148 33 T 4.0471 8.5688 114.2307 64.3909 68.2257 174.4384 34 S 4.6032 6.4016 113.2894 59.6774 64.3742 172.5647 35 G 4.2850 8.0466 109.0280 45.5420 0.0000 170.1751 36 Y 4.5793 7.2388 116.9235 56.6806 40.6062 172.9537 37 C 4.9555 9.4168 118.4654 57.1185 39.7584 173.3239 38 C 4.7621 9.5819 125.3622 56.5356 44.3262 176.1515 39 L 3.8557 7.8947 124.8772 57.3971 43.0890 178.3676 40 L 4.7893 7.5715 114.7529 55.0708 41.3968 175.1859 41 S 4.3541 7.9292 113.4223 57.9481 68.1418 173.4158 42 C 4.5375 8.5065 118.8568 57.7434 36.1677 173.0971 43 Y 5.1514 8.8783 126.0132 57.8918 40.0215 173.6824 44 C 5.0323 8.6355 119.9084 55.1638 45.4191 173.3584 45 F 4.6904 8.9664 121.3880 59.5629 40.1494 175.5648 46 G 3.6889 9.7712 112.7107 45.5288 0.0000 172.5857 47 L 3.9169 7.5500 120.4747 54.6514 40.5332 176.9917 48 D 4.3540 9.0887 124.7610 56.5897 41.6996 176.5975 49 D 4.5515 7.9726 117.1824 54.2287 41.8831 175.6240 50 D 4.6297 8.1956 122.2576 52.4401 42.2776 175.0430 51 K 3.9521 9.0191 125.4609 57.5615 32.7158 178.3238 52 A 5.4468 7.4539 128.0291 52.6545 20.3703 176.9936 53 V 4.0879 8.7223 116.0893 61.3887 32.7709 178.6369 54 L 4.4332 9.1140 125.1927 54.4221 43.4415 176.3547 55 K 4.5533 8.4247 120.2957 55.4878 32.9445 176.4988 56 I 3.4152 7.8324 119.4107 59.8329 38.6781 176.8420 57 K 4.1389 8.1093 122.8329 55.8625 34.0583 177.5235 58 D 4.2103 8.6034 121.2258 57.7883 41.1602 178.4849 59 A 4.0903 8.0748 120.5210 55.7153 18.1248 179.3970 60 T 3.9350 7.6968 110.9047 65.0086 67.3181 176.0908 61 K 3.5527 8.0786 121.0293 59.6270 32.5470 178.2938 62 S 4.2902 8.5866 115.3698 61.9722 62.6669 175.9515 63 Y 4.4123 7.9474 120.6478 61.0438 38.4771 177.1972 64 C 4.6679 7.9008 114.2276 57.6195 39.9482 174.5612 65 D 4.7964 8.0952 120.3445 55.9101 40.9766 178.0609 66 V 3.6730 8.1791 120.2076 66.9459 31.7857 178.6076 67 Q 3.8392 7.1431 116.6587 58.3769 29.1528 177.8569 68 I 4.2384 7.9622 116.0654 62.1412 39.4686 175.9024 69 I 4.0843 8.1187 124.5346 61.3447 37.1619 175.3423 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 8.30 4.70 0.00 1.78 2.01 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.46 7.81 2 K 8.51 4.74 0.00 1.81 1.91 0.00 1.26 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.70 7.81 3 N 8.64 5.17 0.00 2.20 2.55 0.00 0.00 5.76 7.05 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 4 G 8.18 4.04 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 0.00 0.00 0.00 5 Y 7.84 5.29 0.00 3.25 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 6 A 8.92 4.56 0.55 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 0.00 0.00 7 V 8.47 4.86 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 0.99 0.00 0.00 1.04 0.00 0.00 8 D 8.91 4.53 0.00 2.71 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 9 S 7.61 4.56 0.00 3.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.50 0.00 3.85 3.70 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 11 G 8.36 3.97 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 0.00 0.00 0.00 12 K 7.67 4.09 0.00 1.78 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 13 V 8.29 4.14 2.02 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 0.74 0.00 0.00 0.94 0.00 0.00 14 S 8.46 4.55 0.00 4.02 3.75 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 15 E 8.83 3.48 0.00 2.16 1.15 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 2.17 2.26 0.00 16 C 9.28 4.68 0.00 3.27 3.58 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 17 L 8.95 3.92 0.00 1.29 1.63 0.71 0.90 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 18 L 7.35 4.66 0.00 1.88 1.69 1.04 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.82 4.42 0.00 2.81 3.04 0.00 0.00 6.86 6.78 0.00 0.00 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 N 8.33 4.32 0.00 2.79 2.93 0.00 0.00 6.74 7.50 0.00 0.00 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 8.04 4.03 0.00 2.99 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 22 C 8.24 4.10 0.00 3.19 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.16 0.00 3.12 3.11 0.00 0.00 7.23 7.49 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 24 N 8.38 4.23 0.00 2.86 2.73 0.00 0.00 7.28 7.42 0.00 0.00 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 7.60 3.50 1.79 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.00 0.88 0.00 0.00 26 C 8.24 4.19 0.00 2.97 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 27 T 8.02 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 1.26 0.00 0.00 28 K 7.88 3.92 0.00 1.83 1.95 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 29 V 7.50 3.95 2.26 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 0.59 0.00 0.00 0.87 0.00 0.00 30 Y 7.58 4.30 0.00 2.98 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 31 Y 7.47 3.56 0.00 3.22 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 32 A 7.87 4.11 1.31 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 0.00 0.00 33 T 8.57 4.05 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 1.20 0.00 0.00 34 S 6.40 4.60 0.00 3.72 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.24 4.58 0.00 3.19 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 37 C 9.42 4.96 0.00 3.10 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 38 C 9.58 4.76 0.00 3.35 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 39 L 7.89 3.86 0.00 1.95 1.80 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.57 4.79 0.00 1.70 1.66 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.93 4.35 0.00 2.72 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 42 C 8.51 4.54 0.00 2.80 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 43 Y 8.88 5.15 0.00 3.01 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 0.00 0.00 0.00 0.00 44 C 8.64 5.03 0.00 2.55 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 45 F 8.97 4.69 0.00 2.59 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 9.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 3.92 0.00 1.83 1.75 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 D 9.09 4.35 0.00 2.78 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 49 D 7.97 4.55 0.00 2.79 2.66 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 50 D 8.20 4.63 0.00 2.66 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 51 K 9.02 3.95 0.00 1.89 1.80 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.13 7.81 52 A 7.45 5.45 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 53 V 8.72 4.09 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 0.94 0.00 0.00 1.04 0.00 0.00 54 L 9.11 4.43 0.00 1.91 1.80 1.02 1.12 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 55 K 8.42 4.55 0.00 1.71 1.83 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 56 I 7.83 3.42 1.42 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.38 -0.54 0.00 0.00 57 K 8.11 4.14 0.00 1.82 1.73 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 58 D 8.60 4.21 0.00 2.68 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 59 A 8.07 4.09 1.32 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 0.00 0.00 0.00 60 T 7.70 3.93 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 1.07 0.00 0.00 61 K 8.08 3.55 0.00 1.56 2.03 0.00 1.90 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 62 S 8.59 4.29 0.00 4.02 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 63 Y 7.95 4.41 0.00 2.96 3.27 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 0.00 64 C 7.90 4.67 0.00 2.74 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 65 D 8.10 4.80 0.00 2.94 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 66 V 8.18 3.67 2.13 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 0.98 0.00 0.00 0.98 0.00 0.00 67 Q 7.14 3.84 0.00 2.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.36 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 68 I 7.96 4.24 1.28 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.32 0.00 0.00 69 I 8.12 4.08 2.17 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 1.01 0.00 0.00