NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2262 8.1133 117.2696 56.4135 30.6162 176.5469 11 S 3.9792 8.5676 113.3913 57.9796 62.7465 174.2240 12 G 3.6560 7.5720 111.9269 48.1487 0.0000 176.1234 13 R 4.0288 7.6579 115.1660 58.3628 29.8531 177.2467 14 F 5.0453 8.3321 117.0839 57.2038 40.1826 176.8196 15 G 3.6963 7.6805 109.7363 47.1342 0.0000 174.1059 16 A 4.4478 8.5807 127.9829 52.2415 18.7496 177.3727 17 R 4.0300 7.6882 118.0431 57.3531 31.3907 177.5269 18 Y 3.7554 8.0564 116.7164 57.5131 36.7643 170.8109 19 G 3.9913 7.6401 104.3923 44.9718 0.0000 173.0896 20 R 3.9523 7.8931 116.6046 58.1334 29.5515 179.3310 21 V 3.5490 7.6546 117.5692 66.8641 32.1979 178.2720 22 S 4.1359 8.2131 114.3177 61.8846 62.9228 176.5446 23 R 4.3956 8.1077 117.9103 58.1871 29.5048 178.6788 24 R 3.9442 8.3987 120.9686 59.6581 30.2486 178.4261 25 R 3.9905 8.2881 117.7960 58.7216 29.8928 179.2654 26 V 3.5646 7.7565 117.9246 65.5892 31.5632 177.8145 27 A 3.9401 7.8550 120.1168 55.5637 18.3025 178.9874 28 E 3.8719 8.2845 116.9221 59.6183 29.5506 179.3772 29 I 3.6918 7.9491 119.2075 64.9894 37.3952 178.5069 30 E 4.0387 8.4070 119.1077 59.0725 29.0576 179.3212 31 S 4.0729 8.4072 113.8532 61.5630 62.3136 175.9588 32 E 3.9821 8.0794 120.5038 59.4122 29.4275 178.0193 33 M 4.8219 7.9592 118.9812 58.0748 32.4237 177.3257 34 N 4.7332 8.2439 114.5685 53.4957 39.2683 175.3531 35 E 4.1028 7.0590 119.9626 56.1804 30.2270 176.5371 36 D 4.5275 8.3244 120.2395 54.7694 41.7322 175.7485 37 H 5.0563 8.5017 118.9705 53.6905 32.7449 172.7074 38 A 4.4662 8.6528 124.4066 51.4696 18.7315 176.8992 39 C 4.1097 8.9185 124.2232 59.8216 31.5592 172.3736 40 P 4.1793 0.0000 0.0000 65.4369 30.6071 176.7077 41 N 3.9826 7.0365 116.1323 55.8551 39.9823 178.6425 42 C 4.6744 7.6803 124.8073 58.5285 29.9417 174.9782 43 G 4.1794 8.4809 105.3061 45.4772 0.0000 171.9367 44 E 4.0539 8.1626 122.6861 55.7491 30.7565 176.6226 45 D 5.3610 8.2640 127.3154 52.9041 38.6704 176.1378 46 R 4.8114 7.6618 118.5800 55.8245 32.7414 175.1937 47 V 4.9653 8.2473 118.8634 61.8856 32.9580 174.5686 48 D 5.3375 9.4051 127.3100 52.2399 45.0644 175.3082 49 R 3.3942 8.7129 121.7823 56.2024 30.5671 176.3280 50 Q 4.2244 8.2553 124.1339 56.1716 30.2693 175.6889 51 G 3.6616 6.5536 103.2736 45.9073 0.0000 171.5615 52 T 3.6923 8.3681 118.1806 65.0910 68.1159 174.9294 53 G 4.2490 8.5130 115.5001 45.9995 0.0000 171.4272 54 I 4.5959 6.7737 121.0983 59.3360 39.1618 174.9310 55 W 5.1534 8.6172 126.0667 55.0635 33.3239 174.1850 56 Q 5.7770 8.8442 121.8482 55.7931 32.8591 172.7080 57 C 5.1765 9.0478 126.9253 58.8190 32.3855 174.0534 58 S 4.0981 9.5166 122.0834 60.7601 62.6911 174.5831 59 Y 4.4916 8.4194 122.3261 59.2476 39.1539 175.1358 60 C 4.0739 7.9520 115.4730 58.0218 30.7153 174.2336 61 D 4.7566 8.3357 119.5232 54.4074 38.8736 173.3960 62 Y 4.4408 8.0145 121.6193 58.2345 39.7359 174.6304 63 K 5.1448 8.4277 127.8114 54.5739 34.5640 174.7109 64 F 4.9611 9.0634 121.7877 55.7728 41.9218 173.0892 65 T 4.7782 8.6243 109.7169 61.4903 70.0637 174.2995 66 G 4.5035 8.2649 109.8424 46.0237 0.0000 172.1120 67 G 4.0940 8.3693 109.2955 45.4770 0.0000 174.9622 68 S 3.9798 8.4775 114.6771 60.8316 62.7718 175.2137 69 Y 5.0229 7.7871 114.4221 57.2555 40.0633 175.0483 70 K 4.7397 7.9503 119.3754 53.5681 35.7634 175.3813 71 P 2.9700 0.0000 0.0000 63.9871 31.6249 176.0186 72 E 4.8833 7.6349 117.5414 54.3490 32.6987 174.9133 73 T 4.6980 8.1038 112.3275 58.9232 70.4604 173.2106 74 P 4.2896 0.0000 0.0000 66.1525 31.0603 179.1823 75 G 4.0064 7.7754 103.3347 47.4660 0.0000 176.1963 76 G 3.6294 8.3116 108.3240 47.5807 0.0000 175.9595 77 K 4.0981 7.4101 119.6445 58.8887 32.4377 179.1529 78 T 4.1094 7.5604 116.7216 66.0426 68.1911 176.9185 79 V 3.6587 7.3561 119.6154 66.1056 31.6211 177.1640 80 R 4.1547 8.0219 115.6563 59.6134 31.5539 177.5808 81 R 3.9380 7.7677 106.3821 58.4559 29.4012 176.8987 82 S 4.2552 8.5966 122.2031 58.4407 63.1999 173.9489 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 10 R 8.11 4.23 0.00 1.97 1.51 0.00 2.92 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 11 S 8.57 3.98 0.00 4.03 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 12 G 7.57 3.66 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 0.00 0.00 0.00 13 R 7.66 4.03 0.00 1.88 1.97 0.00 2.86 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 0.00 14 F 8.33 5.05 0.00 3.45 3.23 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 0.00 15 G 7.68 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 0.00 0.00 0.00 16 A 8.58 4.45 1.24 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 0.00 0.00 17 R 7.69 4.03 0.00 1.11 0.66 0.00 2.75 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.35 0.00 18 Y 8.06 3.76 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.95 0.00 1.88 1.88 0.00 3.18 0.00 0.00 3.28 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 21 V 7.65 3.55 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 1.15 0.00 0.00 0.94 0.00 0.00 22 S 8.21 4.14 0.00 4.08 3.83 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 0.00 0.00 0.00 0.00 23 R 8.11 4.40 0.00 2.29 2.64 0.00 2.95 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.74 0.00 24 R 8.40 3.94 0.00 1.95 2.22 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 25 R 8.29 3.99 0.00 1.95 1.94 0.00 3.17 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 26 V 7.76 3.56 2.21 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 1.14 0.00 0.00 1.11 0.00 0.00 27 A 7.85 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.87 0.00 2.02 1.99 0.00 0.00 0.00 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 2.49 0.00 29 I 7.95 3.69 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.54 0.00 0.00 30 E 8.41 4.04 0.00 2.02 1.98 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 2.27 2.52 0.00 31 S 8.41 4.07 0.00 3.97 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 32 E 8.08 3.98 0.00 2.06 2.03 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 2.40 2.53 0.00 33 M 7.96 4.82 0.00 2.36 2.43 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.63 0.00 34 N 8.24 4.73 0.00 2.79 2.89 0.00 0.00 7.05 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 35 E 7.06 4.10 0.00 1.77 1.83 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 0.00 2.35 2.54 0.00 36 D 8.32 4.53 0.00 2.63 2.58 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 37 H 8.50 5.06 0.00 3.09 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.65 4.47 1.23 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 0.00 0.00 0.00 39 C 8.92 4.11 0.00 3.12 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 40 P 0.00 4.18 0.00 1.76 1.85 0.00 3.54 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 0.82 1.75 0.00 41 N 7.04 3.98 0.00 2.21 2.49 0.00 0.00 7.00 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 42 C 7.68 4.67 0.00 3.23 2.91 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 0.00 0.00 0.00 43 G 8.48 4.18 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 0.00 44 E 8.16 4.05 0.00 2.00 1.77 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 1.69 2.18 0.00 45 D 8.26 5.36 0.00 2.59 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 46 R 7.66 4.81 0.00 1.82 1.97 0.00 3.19 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 47 V 8.25 4.97 2.29 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 1.15 0.00 0.00 1.22 0.00 0.00 48 D 9.41 5.34 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 49 R 8.71 3.39 0.00 1.21 1.51 0.00 3.01 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 50 Q 8.26 4.22 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 51 G 6.55 3.66 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 0.00 0.00 0.00 52 T 8.37 3.69 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 1.05 0.00 0.00 53 G 8.51 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 6.77 4.60 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.74 0.71 0.00 0.00 55 W 8.62 5.15 0.00 1.78 2.63 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 56 Q 8.84 5.78 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 57 C 9.05 5.18 0.00 3.33 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 58 S 9.52 4.10 0.00 3.94 4.06 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 59 Y 8.42 4.49 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.95 4.07 0.00 3.04 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 61 D 8.34 4.76 0.00 2.94 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 62 Y 8.01 4.44 0.00 3.07 3.04 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 63 K 8.43 5.14 0.00 1.75 1.58 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.33 7.81 64 F 9.06 4.96 0.00 3.02 2.39 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 65 T 8.62 4.78 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 1.22 0.00 0.00 66 G 8.26 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.37 4.09 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 0.00 68 S 8.48 3.98 0.00 3.16 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 69 Y 7.79 5.02 0.00 3.17 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 70 K 7.95 4.74 0.00 1.80 1.59 0.00 1.76 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.49 7.81 71 P 0.00 2.97 0.00 1.77 0.67 0.00 3.05 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 72 E 7.63 4.88 0.00 1.84 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 2.17 2.18 0.00 73 T 8.10 4.70 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 74 P 0.00 4.29 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 75 G 7.78 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 0.00 0.00 0.00 76 G 8.31 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 0.00 0.00 0.00 77 K 7.41 4.10 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.63 7.81 78 T 7.56 4.11 4.44 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 1.21 0.00 0.00 79 V 7.36 3.66 2.22 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 0.84 0.00 0.00 0.94 0.00 0.00 80 R 8.02 4.15 0.00 1.97 2.01 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 81 R 7.77 3.94 0.00 2.12 1.26 0.00 3.19 0.00 0.00 3.27 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 S 8.60 4.26 0.00 4.00 3.79 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 0.00 0.00 0.00 0.00