NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4007 8.2393 119.7150 55.8445 32.2444 175.9370 3 E 4.2396 8.0002 111.9026 56.5881 31.5915 174.6152 4 I 4.0798 7.7341 119.8010 59.6656 39.5835 176.6517 5 K 4.2865 7.7964 121.4749 57.5523 34.0239 175.9750 6 G 4.1167 6.8023 102.4229 46.2228 0.0000 171.8214 7 Y 4.8649 8.1268 116.1181 56.2807 42.7278 174.3882 8 E 4.7548 8.3246 120.0944 54.8327 33.4218 173.7999 9 Y 4.7324 8.6664 122.7909 56.3521 41.0645 174.6586 10 Q 4.5126 8.9230 124.0018 54.8436 29.6825 175.0502 11 L 4.8876 9.0587 124.9452 53.1267 45.1866 175.7438 12 Y 4.8043 8.7272 119.5730 55.8765 39.1244 175.1507 13 V 4.2459 8.0687 125.4028 61.6642 33.3430 174.3180 14 Y 4.9560 8.7842 126.0247 57.6509 38.8131 175.0463 15 A 4.7258 9.1916 126.1771 52.1900 22.7217 176.0233 16 S 3.9098 9.7028 117.0772 60.4557 60.6812 171.7258 17 D 4.6338 8.3788 111.6239 55.1583 38.7445 174.4326 18 K 4.6215 8.3587 115.8096 54.4964 36.4972 175.5357 19 L 4.0540 8.2179 124.8492 54.7460 42.9516 175.8615 20 F 4.8042 8.9935 126.5665 55.9048 42.8686 174.3742 21 R 4.6560 8.0547 117.2102 54.9588 33.8953 174.6163 22 A 5.3795 8.8164 125.5746 49.0876 22.7880 174.3296 23 D 5.4321 8.6483 119.7785 52.6441 44.2199 175.0129 24 I 5.0494 8.7231 124.4962 59.5566 40.3919 175.2498 25 S 5.0661 8.4462 119.9935 57.2671 66.4579 172.9795 26 E 5.0082 8.3528 118.8677 55.5663 32.9236 173.9809 27 D 4.7465 9.1597 128.8605 54.5399 42.0564 176.4603 28 Y 3.9980 8.6622 127.3962 61.1139 38.8439 177.1121 29 K 3.9938 8.4810 118.0452 59.4167 32.5837 178.4766 30 T 3.9751 7.8243 109.9052 62.8021 69.4096 175.9624 31 R 4.4856 7.7566 117.7936 56.9476 27.3202 175.9984 32 G 3.8754 7.8675 105.9713 46.3473 0.0000 173.2020 33 R 5.4986 8.5241 121.9235 53.1525 33.6139 175.1261 34 K 4.5557 8.3124 123.5337 54.3975 35.8203 174.8053 35 L 4.2143 8.7241 129.8664 55.5062 41.8685 176.1709 36 L 4.4257 8.7343 127.5638 57.2755 42.8808 178.0040 37 R 4.6715 7.6549 115.7389 55.0375 34.8570 174.3779 38 F 4.6946 8.9305 124.9276 56.7809 41.3461 172.7144 39 N 5.1028 9.1307 122.9620 51.1769 42.6676 172.5681 40 G 3.6421 8.7505 104.2617 43.5342 0.0000 171.6937 41 P 3.9734 0.0000 0.0000 63.0490 31.7449 176.1975 42 V 4.6130 8.2650 114.8602 58.5117 35.0133 173.8046 43 P 4.5578 0.0000 0.0000 61.8940 31.9017 174.6616 44 P 4.3942 0.0000 0.0000 62.2126 32.0565 174.4816 45 P 4.3901 0.0000 0.0000 63.0823 31.5033 175.8291 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 R 8.24 4.40 0.00 1.88 2.08 0.00 3.29 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 3 E 8.00 4.24 0.00 2.04 1.96 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 2.02 2.29 0.00 4 I 7.73 4.08 0.57 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.35 0.39 0.00 0.00 5 K 7.80 4.29 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.33 7.81 6 G 6.80 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 0.00 0.00 0.00 0.00 7 Y 8.13 4.86 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 4.75 0.00 1.83 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 2.32 2.30 0.00 9 Y 8.67 4.73 0.00 2.97 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 10 Q 8.92 4.51 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 11 L 9.06 4.89 0.00 1.58 1.58 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.73 4.80 0.00 2.66 2.81 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 0.00 0.00 0.00 13 V 8.07 4.25 2.05 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 1.18 0.00 0.00 0.93 0.00 0.00 14 Y 8.78 4.96 0.00 3.00 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 15 A 9.19 4.73 1.27 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 0.00 0.00 16 S 9.70 3.91 0.00 4.13 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 17 D 8.38 4.63 0.00 2.85 2.79 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 18 K 8.36 4.62 0.00 1.83 1.29 0.00 1.92 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.59 7.81 19 L 8.22 4.05 0.00 1.52 1.50 0.29 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.99 4.80 0.00 2.80 2.42 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 0.00 0.00 0.00 0.00 21 R 8.05 4.66 0.00 1.40 1.49 0.00 2.25 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.34 0.00 22 A 8.82 5.38 1.12 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 0.00 0.00 23 D 8.65 5.43 0.00 2.66 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 24 I 8.72 5.05 2.11 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 1.37 1.01 1.05 0.00 0.00 25 S 8.45 5.07 0.00 3.96 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 26 E 8.35 5.01 0.00 2.37 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 2.41 2.39 0.00 27 D 9.16 4.75 0.00 2.80 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 28 Y 8.66 4.00 0.00 2.85 3.08 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 0.00 0.00 0.00 0.00 29 K 8.48 3.99 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.44 7.81 30 T 7.82 3.98 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 1.22 0.00 0.00 31 R 7.76 4.49 0.00 2.02 2.19 0.00 3.22 0.00 0.00 3.75 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 32 G 7.87 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 0.00 0.00 0.00 33 R 8.52 5.50 0.00 1.70 1.95 0.00 3.21 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 34 K 8.31 4.56 0.00 1.83 1.63 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 35 L 8.72 4.21 0.00 1.72 1.62 1.16 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.73 4.43 0.00 1.75 1.73 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.65 4.67 0.00 1.73 1.79 0.00 3.07 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 38 F 8.93 4.69 0.00 2.97 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 39 N 9.13 5.10 0.00 2.69 2.70 0.00 0.00 6.81 7.12 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 40 G 8.75 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.97 0.00 1.87 1.64 0.00 3.62 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 42 V 8.26 4.61 2.01 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 0.60 0.00 0.00 0.85 0.00 0.00 43 P 0.00 4.56 0.00 2.07 2.04 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 44 P 0.00 4.39 0.00 2.19 2.11 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 45 P 0.00 4.39 0.00 2.02 1.89 0.00 3.64 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 0.00