NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2472 8.2493 123.5822 51.4925 19.6632 177.5821 2 P 4.2358 0.0000 0.0000 59.8857 32.0645 175.4899 3 M 4.0821 8.7600 121.3828 54.7874 32.3948 177.3869 4 G 3.8541 8.3580 109.3158 45.3674 0.0000 172.7191 5 S 4.0853 8.3227 115.9065 59.5063 62.3150 174.7417 6 D 4.7288 6.2171 119.8296 52.5773 42.9405 174.7478 7 P 4.3422 0.0000 0.0000 61.6070 31.9790 175.1766 8 P 4.3123 0.0000 0.0000 62.8269 31.7156 174.2086 9 T 4.5260 7.8193 106.9614 60.5029 71.4025 172.3929 10 A 4.3951 8.5218 124.6501 52.0173 18.6461 177.8297 11 C 4.6783 8.3717 120.0367 55.4998 43.3467 174.6083 12 C 3.7692 8.2083 120.9646 57.0718 40.2494 173.9882 13 F 4.4168 8.5781 121.5017 58.3064 40.9997 175.6763 14 S 4.1243 7.4465 113.0019 57.5120 66.5074 172.9723 15 Y 4.9375 7.7534 119.5397 56.3198 40.5403 175.5775 16 T 4.3063 8.0011 116.2257 61.7322 68.2342 174.8954 17 A 4.2396 8.6557 130.7359 54.4475 19.0499 177.9507 18 R 4.1855 7.8141 116.1395 54.9451 30.9119 175.6547 19 K 3.5912 8.0642 125.0417 55.9766 33.2079 176.2670 20 L 4.2357 8.0024 123.9207 52.6132 41.9163 174.6207 21 P 4.5021 0.0000 0.0000 62.3252 32.4896 177.3241 22 R 3.7870 8.9439 117.3336 59.6828 29.0712 178.4300 23 N 4.0530 7.9300 114.3905 55.3600 38.8110 175.2259 24 F 4.9076 8.3687 117.3092 56.4533 39.4806 176.4811 25 V 5.0815 8.0627 121.2173 62.3707 32.2936 173.5398 26 V 4.0211 8.2468 119.2645 62.6283 32.5529 175.0575 27 D 5.0420 7.7959 117.8305 54.2547 44.8549 172.6600 28 Y 5.2556 8.3433 116.9279 57.0648 40.7225 172.6849 29 Y 4.6305 9.5601 119.5044 56.7495 42.6856 172.9051 30 E 4.8997 6.7288 122.8594 54.2294 32.0672 177.4089 31 T 4.2474 8.0959 111.0815 62.3134 69.4079 176.7741 32 S 4.3083 8.8885 118.5465 57.7495 66.1861 174.7523 33 S 4.6122 8.5998 115.4022 60.0926 67.0568 175.6613 34 L 4.0880 8.1327 118.7773 56.5163 41.7593 177.3567 35 C 4.9312 7.9396 117.0071 54.9678 42.0882 175.2858 36 S 4.5549 8.5504 121.6948 57.9498 62.0751 174.6542 37 Q 4.6460 8.1886 114.0244 53.9137 30.3550 172.5996 38 P 4.3945 0.0000 0.0000 64.2682 33.2125 174.9751 39 A 4.2760 7.0815 119.4691 52.7889 23.5359 175.4688 40 V 4.5438 7.4342 117.5579 61.3938 33.9038 174.6423 41 V 4.9891 8.9519 127.9859 61.0328 34.1844 174.1148 42 F 5.5486 8.2473 122.0541 55.3856 40.9296 175.0678 43 Q 5.3675 9.6496 120.8931 54.3231 30.8265 174.2388 44 T 5.1726 8.6422 111.7411 60.3189 69.4360 174.6956 45 A 4.5877 9.5293 118.5681 52.6469 21.4097 176.4420 46 A 4.9206 7.9273 116.8586 51.1594 19.1400 175.9448 47 S 4.6377 7.4153 115.9639 57.0336 70.0800 177.0482 48 A 5.0762 7.2938 130.5242 52.4512 17.5205 176.7916 49 Q 4.7452 7.7134 113.6597 53.6053 32.7663 175.2993 50 V 4.2297 7.5754 119.0309 61.5421 34.8449 173.1011 51 C 5.0370 8.9295 127.6738 57.2731 44.7281 171.8364 52 A 5.2258 8.8520 123.3645 50.4580 22.5945 175.6662 53 D 3.7460 8.3839 122.8214 52.3394 39.7594 175.2379 54 P 4.2309 0.0000 0.0000 63.4747 31.5832 177.0037 55 S 4.0765 7.5698 113.4231 59.9756 62.8740 173.1421 56 E 4.4701 7.3203 120.4878 55.0215 30.8246 176.5468 57 S 3.9750 8.8836 120.8039 61.6868 62.9420 176.9523 58 W 4.2974 8.1793 118.3881 59.6399 27.4085 178.2768 59 V 2.4948 6.1777 119.0181 65.1183 30.6763 177.9016 60 Q 3.7738 7.3590 118.9671 59.0696 29.0710 177.3983 61 E 3.9072 8.3972 120.7489 59.5161 29.6818 178.4382 62 Y 4.0578 8.2842 116.9612 60.9137 37.9268 178.6771 63 V 3.1898 7.5922 119.0491 66.2015 31.4830 177.6501 64 Y 4.4501 8.3908 116.9651 60.5681 37.4180 178.0497 65 D 4.4693 8.3036 119.0225 57.2754 41.1667 178.2058 66 L 4.1431 7.5119 117.8753 57.1936 41.7586 178.8859 67 E 4.2103 8.1318 119.2062 57.0792 29.3101 178.5008 68 L 4.0182 7.8569 117.1348 55.7849 39.9187 176.3170 69 N 4.4260 9.5243 125.1676 54.7842 38.7405 173.1543 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 A 8.25 4.25 1.28 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 0.00 0.00 2 P 0.00 4.24 0.00 2.27 2.10 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 3 M 8.76 4.08 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 4 G 8.36 3.85 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 0.00 0.00 0.00 5 S 8.32 4.09 0.00 3.85 3.68 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 0.00 0.00 0.00 0.00 6 D 6.22 4.73 0.00 2.60 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 7 P 0.00 4.34 0.00 2.19 2.09 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 8 P 0.00 4.31 0.00 2.09 2.14 0.00 3.66 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 2.06 2.13 0.00 9 T 7.82 4.53 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 1.27 0.00 0.00 10 A 8.52 4.40 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 11 C 8.37 4.68 0.00 2.56 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 12 C 8.21 3.77 0.00 2.92 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 13 F 8.58 4.42 0.00 2.89 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 14 S 7.45 4.12 0.00 3.76 3.63 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 15 Y 7.75 4.94 0.00 3.09 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 16 T 8.00 4.31 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 17 A 8.66 4.24 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 18 R 7.81 4.19 0.00 1.74 1.81 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 19 K 8.06 3.59 0.00 0.79 0.74 0.00 0.82 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.89 0.91 7.81 20 L 8.00 4.24 0.00 1.44 1.71 0.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.50 0.00 2.55 2.14 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 22 R 8.94 3.79 0.00 1.80 1.84 0.00 2.84 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 23 N 7.93 4.05 0.00 1.73 2.29 0.00 0.00 6.80 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 24 F 8.37 4.91 0.00 3.19 3.15 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 0.00 0.00 0.00 25 V 8.06 5.08 2.23 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 1.42 0.00 0.00 1.13 0.00 0.00 26 V 8.25 4.02 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 0.77 0.00 0.00 1.06 0.00 0.00 27 D 7.80 5.04 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.34 5.26 0.00 3.42 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 29 Y 9.56 4.63 0.00 2.95 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 30 E 6.73 4.90 0.00 1.43 1.65 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 2.21 2.15 0.00 31 T 8.10 4.25 4.21 0.00 0.00 0.00 0.00 0.00 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 32 S 8.89 4.31 0.00 3.82 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.61 0.00 3.81 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 34 L 8.13 4.09 0.00 1.63 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.94 4.93 0.00 2.91 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 36 S 8.55 4.55 0.00 3.82 3.84 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 37 Q 8.19 4.65 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 38 P 0.00 4.39 0.00 2.15 2.21 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 39 A 7.08 4.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 4.54 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 1.06 0.00 0.00 0.93 0.00 0.00 41 V 8.95 4.99 2.33 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 1.01 0.00 0.00 0.99 0.00 0.00 42 F 8.25 5.55 0.00 3.42 3.35 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 43 Q 9.65 5.37 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 44 T 8.64 5.17 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 45 A 9.53 4.59 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.92 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 47 S 7.42 4.64 0.00 3.92 3.71 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 48 A 7.29 5.08 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 49 Q 7.71 4.75 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 50 V 7.58 4.23 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 0.91 0.00 0.00 0.90 0.00 0.00 51 C 8.93 5.04 0.00 3.11 3.24 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 0.00 52 A 8.85 5.23 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 53 D 8.38 3.75 0.00 2.30 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 0.00 0.00 0.00 54 P 0.00 4.23 0.00 2.07 2.07 0.00 3.46 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 55 S 7.57 4.08 0.00 3.72 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 56 E 7.32 4.47 0.00 1.60 1.67 0.00 0.00 0.00 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 2.33 0.00 57 S 8.88 3.98 0.00 3.86 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 58 W 8.18 4.30 0.00 3.35 3.24 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 0.00 59 V 6.18 2.49 1.50 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 0.66 0.00 0.00 -1.10 0.00 0.00 60 Q 7.36 3.77 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.55 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 61 E 8.40 3.91 0.00 2.01 2.12 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 2.34 2.57 0.00 62 Y 8.28 4.06 0.00 3.23 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 63 V 7.59 3.19 2.32 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 1.00 0.00 0.00 0.87 0.00 0.00 64 Y 8.39 4.45 0.00 3.05 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 65 D 8.30 4.47 0.00 3.08 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 66 L 7.51 4.14 0.00 1.37 1.79 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.13 4.21 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 2.36 2.50 0.00 68 L 7.86 4.02 0.00 1.66 1.35 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.52 4.43 0.00 2.67 2.71 0.00 0.00 6.72 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