NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9331 8.3549 109.7360 44.9213 0.0000 175.8627 3 K 3.8723 8.6595 124.4819 55.2061 32.5490 170.5244 4 V 4.4454 8.6102 121.6238 61.3551 35.4318 173.5592 5 Y 5.0270 8.7350 123.9479 56.0622 41.1340 174.7068 6 K 4.5150 8.1414 122.3939 54.4762 35.3793 174.7373 7 K 5.0377 8.4995 125.0209 54.6959 34.3536 175.8651 8 V 4.5237 8.6197 117.3695 59.4869 35.4599 174.3929 9 E 4.9411 8.7514 124.4227 54.9798 30.5337 174.8850 10 L 4.8876 8.9572 127.3816 52.7977 45.6489 175.9024 11 V 4.7470 8.3644 121.3161 61.2222 33.4796 175.0722 12 G 4.4790 9.0979 115.9253 44.8678 0.0000 172.2554 13 T 5.4033 8.0867 111.5581 60.1263 72.2133 172.8826 14 S 4.6752 8.7093 115.5002 57.9098 65.9800 175.4192 15 E 4.6373 8.9435 123.2188 57.1459 30.0718 177.8931 16 E 4.1932 8.5468 119.0184 57.4013 30.3374 176.4142 17 G 3.3302 7.0342 104.0040 44.2872 0.0000 173.3984 18 L 3.7718 7.4653 118.1318 57.8321 41.5324 179.0295 19 E 3.8891 8.1439 117.8042 59.7450 29.4050 179.4066 20 A 3.9141 7.9024 119.5975 54.8369 18.4553 179.4282 21 A 3.8880 7.7283 118.9930 55.3768 18.5340 179.8933 22 I 3.4955 7.6618 118.2466 64.6975 37.0910 178.7167 23 Q 3.8934 8.2435 118.7961 58.8059 28.5884 178.8915 24 A 3.9094 7.9825 121.6391 54.9538 18.4422 179.5015 25 A 3.8900 7.8167 118.7801 55.4459 18.5409 179.7940 26 L 3.8952 7.9219 117.1595 57.6592 41.3944 179.5822 27 A 4.0138 8.0306 120.4747 54.7318 18.5934 179.3168 28 R 3.9619 7.8978 116.9457 59.2405 30.1333 178.3911 29 A 3.8951 7.9730 120.6572 55.1970 18.1806 179.5773 30 R 3.7837 7.6983 115.6700 59.0442 30.1112 178.5215 31 K 4.1547 7.6107 117.5637 58.6438 32.0995 177.6932 32 T 4.4844 7.7116 105.8944 60.6900 70.6797 173.6653 33 L 4.5154 7.7642 121.5295 52.7420 43.7116 175.8273 34 R 4.5255 7.8227 119.7628 55.7443 33.1988 174.9000 35 H 4.2198 8.6067 114.2265 56.7636 25.9199 175.0279 36 L 4.4665 8.1845 119.0509 55.6700 42.0399 175.7839 37 D 5.1970 9.3311 122.8058 55.2577 43.0113 176.2410 38 W 5.5565 7.9184 113.2847 55.1891 32.0333 173.0439 39 F 5.3680 8.3173 113.9085 55.4401 40.8337 173.5723 40 E 4.7561 9.1982 118.8683 54.6524 33.3584 174.9759 41 V 4.2809 8.6751 124.5766 62.7750 31.8438 175.2179 42 K 4.5127 9.3862 127.6249 57.8544 33.7061 176.7071 43 E 4.8553 7.9806 116.8854 54.6931 34.4470 174.3922 44 I 5.0668 8.4261 121.8765 59.8611 40.0048 174.7341 45 A 4.6611 9.0552 128.3307 51.9912 23.0681 174.1262 46 G 4.1500 8.0067 103.2592 46.8751 0.0000 172.7079 47 T 4.7793 7.9267 109.9048 59.9471 71.7909 173.5092 48 I 4.8586 8.2408 122.5684 59.8330 40.1704 175.5316 49 G 4.2505 8.7793 115.4366 44.3292 0.0000 172.6981 50 E 3.9591 8.8868 117.2874 58.6653 29.6898 177.4615 51 A 4.5364 7.9249 119.7901 51.8172 20.2982 176.6253 52 G 3.9872 7.6151 104.5211 44.2582 0.0000 176.4282 53 V 3.7723 8.1911 125.5868 63.0137 31.8406 175.1193 54 K 4.1730 8.8041 129.2107 58.5255 33.4441 175.9565 55 E 4.7130 7.6302 119.3509 54.6114 33.1474 173.5128 56 Y 4.7398 9.2579 125.4534 57.5934 39.8319 174.5025 57 Q 5.0789 9.3983 122.6516 54.1150 32.6133 174.4343 58 V 4.7600 8.9562 124.6564 61.0301 34.5112 174.3081 59 V 4.7123 8.6101 129.1905 61.8851 32.6531 174.6958 60 L 5.3380 9.2190 127.8923 54.1080 44.5544 175.0074 61 E 4.9271 9.0920 120.5273 55.1893 31.5749 175.1007 62 V 4.4607 8.8116 125.6406 61.1145 33.5993 174.5476 63 G 3.1960 7.8338 116.3435 44.5543 0.0000 172.3181 64 F 5.6806 8.3700 117.9218 54.8998 41.9382 173.6113 65 R 4.2039 8.9024 121.8015 56.2022 30.5747 175.9951 66 L 4.3837 8.3113 127.2484 54.3293 42.3034 177.0339 67 E 4.1126 8.8261 123.3405 55.6843 30.3554 176.5287 68 E 4.0635 8.8083 121.7358 56.8231 29.5446 176.6590 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 2 G 8.35 3.93 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 0.00 0.00 0.00 3 K 8.66 3.87 0.00 1.78 1.32 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.42 7.81 4 V 8.61 4.45 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 1.07 0.00 0.00 0.89 0.00 0.00 5 Y 8.74 5.03 0.00 3.05 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 6 K 8.14 4.52 0.00 1.52 0.74 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.13 1.25 7.81 7 K 8.50 5.04 0.00 1.63 1.62 0.00 2.01 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.06 1.39 7.81 8 V 8.62 4.52 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 0.90 0.00 0.00 1.08 0.00 0.00 9 E 8.75 4.94 0.00 1.98 1.87 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 2.22 2.33 0.00 10 L 8.96 4.89 0.00 1.55 1.48 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.36 4.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 12 G 9.10 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 5.40 4.38 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 1.22 0.00 0.00 14 S 8.71 4.68 0.00 3.91 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 15 E 8.94 4.64 0.00 2.04 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 0.00 2.48 2.31 0.00 16 E 8.55 4.19 0.00 1.94 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 2.33 2.27 0.00 17 G 7.03 3.33 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 0.00 18 L 7.47 3.77 0.00 1.56 1.65 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.14 3.89 0.00 1.98 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 2.39 2.45 0.00 20 A 7.90 3.91 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 21 A 7.73 3.89 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.66 3.50 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.31 0.00 0.00 23 Q 8.24 3.89 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 24 A 7.98 3.91 1.37 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 0.00 0.00 0.00 25 A 7.82 3.89 1.26 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 0.00 0.00 0.00 26 L 7.92 3.90 0.00 1.72 1.64 0.59 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.03 4.01 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 28 R 7.90 3.96 0.00 1.94 2.03 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.97 3.90 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 30 R 7.70 3.78 0.00 1.83 2.16 0.00 3.24 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 K 7.61 4.15 0.00 1.95 1.81 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 32 T 7.71 4.48 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 1.17 0.00 0.00 33 L 7.76 4.52 0.00 1.41 0.93 0.44 0.54 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 34 R 7.82 4.53 0.00 1.64 1.47 0.00 3.25 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 35 H 8.61 4.22 0.00 3.68 3.54 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.18 4.47 0.00 1.67 1.67 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.33 5.20 0.00 2.96 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 38 W 7.92 5.56 0.00 3.23 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 39 F 8.32 5.37 0.00 3.00 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 40 E 9.20 4.76 0.00 1.99 1.92 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 2.36 2.51 0.00 41 V 8.68 4.28 2.17 0.00 0.00 0.00 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 1.11 0.00 0.00 42 K 9.39 4.51 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 43 E 7.98 4.86 0.00 1.88 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 0.00 2.31 2.35 0.00 44 I 8.43 5.07 1.92 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 1.32 0.66 1.00 0.00 0.00 45 A 9.06 4.66 1.20 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 0.00 0.00 46 G 8.01 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 0.00 0.00 0.00 0.00 47 T 7.93 4.78 4.20 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 1.18 0.00 0.00 48 I 8.24 4.86 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.92 0.00 0.00 49 G 8.78 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 50 E 8.89 3.96 0.00 1.96 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 0.00 2.30 2.24 0.00 51 A 7.92 4.54 1.25 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 52 G 7.62 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 53 V 8.19 3.77 1.80 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 -0.32 0.00 0.00 0.66 0.00 0.00 54 K 8.80 4.17 0.00 1.84 1.70 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 E 7.63 4.71 0.00 2.07 1.68 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 2.21 2.27 0.00 56 Y 9.26 4.74 0.00 2.99 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 57 Q 9.40 5.08 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.96 4.76 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 59 V 8.61 4.71 2.10 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 0.74 0.00 0.00 0.95 0.00 0.00 60 L 9.22 5.34 0.00 1.91 1.76 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.09 4.93 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 2.29 2.42 0.00 62 V 8.81 4.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 63 G 7.83 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 0.00 0.00 0.00 64 F 8.37 5.68 0.00 3.36 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 65 R 8.90 4.20 0.00 2.08 1.92 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.00 66 L 8.31 4.38 0.00 1.59 1.55 0.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.83 4.11 0.00 2.00 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 2.37 2.41 0.00 68 E 8.81 4.06 0.00 1.90 1.84 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 2.28 2.26 0.00