NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4539 8.2649 123.6149 51.7926 20.3837 176.8356 2 T 3.8592 7.7613 114.0829 64.0106 69.2016 172.5698 3 Y 5.1685 8.6914 123.8802 57.7943 42.3242 173.3919 4 N 5.2640 8.6901 115.5450 52.6144 42.7706 174.2798 5 G 4.0962 9.1590 112.8044 46.1500 0.0000 173.6615 6 K 5.4608 9.9324 124.8088 55.0563 37.1812 174.3740 7 C 5.1243 9.4360 116.0818 56.9718 33.6165 172.2618 8 Y 5.2997 8.8950 118.2723 56.4428 40.1201 177.1813 9 K 4.0340 8.9691 123.5121 59.9483 33.4876 178.9735 10 K 3.8410 8.3108 119.6655 59.0441 31.9419 177.0107 11 D 4.5209 8.2331 114.5239 54.2456 42.0142 175.6941 12 N 4.2434 8.0618 118.2453 53.9751 37.7373 171.7321 13 I 5.0284 8.2057 113.5065 59.6224 42.7919 175.3986 14 C 5.0683 9.2898 122.8576 57.7720 33.9470 172.4504 15 K 5.0164 9.0144 127.3399 54.9973 33.9258 175.5552 16 Y 4.8165 7.8659 119.9585 56.0776 40.1517 174.2575 17 K 3.9769 8.5817 121.1046 55.0489 32.0666 177.0107 18 A 3.9151 8.0614 127.3068 51.8923 18.7538 177.8498 19 Q 3.5348 7.4768 120.2317 58.3257 29.0418 177.4709 20 S 4.4777 7.4490 109.9332 57.3586 63.8972 175.2832 21 G 3.8667 8.2602 107.8292 46.1188 0.0000 175.3898 22 K 3.8561 7.1144 119.5920 58.9750 32.6122 178.5997 23 T 3.8040 7.3418 112.7625 63.2075 67.8465 172.1807 24 A 3.9859 7.2709 121.2271 52.2908 23.0071 175.6730 25 I 3.7306 8.3131 115.2863 62.8600 37.8956 175.2141 26 C 4.7079 9.6830 124.9514 58.1328 34.2915 172.6729 27 K 4.3120 8.7234 125.1943 56.0168 32.9841 177.2816 28 C 4.5556 8.6602 122.1411 58.9478 25.9209 171.0556 29 Y 4.2106 8.0497 120.3554 58.5580 38.9353 174.6260 30 V 3.3703 8.1927 122.4272 62.0715 31.3368 172.0490 31 K 3.6334 8.5447 118.1857 56.4233 29.7336 173.5951 32 K 3.9277 7.8247 122.3499 55.3560 33.3623 175.3909 33 C 4.2324 8.5012 122.4360 59.0896 32.0803 172.0800 34 P 4.4432 0.0000 0.0000 65.2570 31.6299 176.9818 35 R 4.4218 7.9057 111.8949 54.4031 31.5905 172.9951 36 D 4.7178 8.7382 119.8073 56.1206 41.5135 176.5936 37 G 4.0510 9.3923 114.5062 44.9320 0.0000 173.1436 38 A 3.9890 8.5883 121.8216 52.2534 19.0586 177.3169 39 K 5.1207 8.9999 124.0347 56.9653 33.1788 175.6345 40 C 4.9573 8.4468 118.4502 57.5189 32.8870 172.2664 41 E 5.1836 8.8544 119.3668 53.8269 33.0961 175.2243 42 F 4.5338 8.3168 124.8695 56.1922 40.3384 173.9956 43 D 3.7896 7.9339 126.8560 53.6626 41.5895 176.9325 44 S 3.8864 6.6633 118.2027 58.3321 63.3893 174.3446 45 Y 4.7351 6.8328 119.4138 58.9273 39.8757 176.3669 46 K 4.3149 8.0983 115.6609 59.0062 34.6007 177.6369 47 G 3.9977 7.2451 105.7009 45.4850 0.0000 175.5306 48 K 4.5023 7.6997 124.3061 56.5210 32.7506 178.1670 49 C 4.7824 8.4448 104.8872 58.5979 30.5204 171.5423 50 Y 4.0184 8.4618 119.3291 58.2104 37.6801 177.4086 51 C 4.4580 8.1998 120.7467 59.7351 29.1716 174.4162 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 8.26 4.45 1.40 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 0.00 0.00 0.00 2 T 7.76 3.86 4.15 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 0.94 0.00 0.00 3 Y 8.69 5.17 0.00 2.99 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 4 N 8.69 5.26 0.00 2.62 2.71 0.00 0.00 6.63 7.95 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 5 G 9.16 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 6 K 9.93 5.46 0.00 1.69 1.76 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 7 C 9.44 5.12 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.89 5.30 0.00 2.82 2.78 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 9 K 8.97 4.03 0.00 2.02 2.04 0.00 1.42 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 10 K 8.31 3.84 0.00 1.73 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.48 7.81 11 D 8.23 4.52 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 4.24 0.00 2.98 2.80 0.00 0.00 6.70 7.71 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 13 I 8.21 5.03 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.98 0.00 0.00 14 C 9.29 5.07 0.00 2.94 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 15 K 9.01 5.02 0.00 1.47 1.57 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.10 7.81 16 Y 7.87 4.82 0.00 3.22 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 3.98 0.00 1.73 1.73 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.32 7.81 18 A 8.06 3.92 1.09 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 0.00 0.00 19 Q 7.48 3.53 0.00 1.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.18 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 20 S 7.45 4.48 0.00 3.94 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 21 G 8.26 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.11 3.86 0.00 1.74 1.75 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.50 7.81 23 T 7.34 3.80 4.03 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 0.26 0.00 0.00 24 A 7.27 3.99 1.01 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 0.00 0.00 25 I 8.31 3.73 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.35 0.87 0.00 0.00 26 C 9.68 4.71 0.00 3.16 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 27 K 8.72 4.31 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 28 C 8.66 4.56 0.00 3.02 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 29 Y 8.05 4.21 0.00 2.81 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 30 V 8.19 3.37 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.73 0.00 0.00 31 K 8.54 3.63 0.00 1.70 1.69 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 32 K 7.82 3.93 0.00 1.77 1.76 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.51 7.81 33 C 8.50 4.23 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.24 2.17 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 35 R 7.91 4.42 0.00 1.97 2.03 0.00 3.03 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 36 D 8.74 4.72 0.00 2.38 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 37 G 9.39 4.05 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 0.00 0.00 0.00 38 A 8.59 3.99 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 39 K 9.00 5.12 0.00 1.82 1.76 0.00 1.88 0.00 0.00 2.44 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.27 7.81 40 C 8.45 4.96 0.00 3.05 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 41 E 8.85 5.18 0.00 1.75 1.85 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 2.39 2.04 0.00 42 F 8.32 4.53 0.00 1.98 2.57 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 43 D 7.93 3.79 0.00 2.48 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 0.00 0.00 0.00 0.00 44 S 6.66 3.89 0.00 3.74 3.36 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 45 Y 6.83 4.74 0.00 2.92 2.87 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 0.00 0.00 0.00 46 K 8.10 4.31 0.00 1.69 1.80 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.51 7.81 47 G 7.25 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 48 K 7.70 4.50 0.00 1.77 1.73 0.00 2.00 0.00 0.00 1.95 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.71 7.81 49 C 8.44 4.78 0.00 3.01 2.86 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 50 Y 8.46 4.02 0.00 3.16 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 51 C 8.20 4.46 0.00 2.91 2.78 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