NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0171 8.0431 120.3916 62.6837 32.7124 174.2857 7 G 3.9152 8.3019 114.5020 42.7498 0.0000 171.9757 8 R 4.0812 8.3403 124.2365 55.7607 31.7932 173.7660 9 E 4.7796 8.5707 122.3598 54.6871 31.8451 175.8184 10 C 4.9891 8.4527 117.4684 55.2701 43.4906 174.2589 11 C 4.6655 8.5017 124.2318 55.1421 43.3428 173.3572 12 L 4.0995 8.6690 128.3603 57.4521 41.4590 177.2456 13 E 4.5479 7.4354 111.9196 55.0368 31.7377 174.3804 14 Y 4.7660 8.0338 117.8833 58.0082 38.6104 175.9464 15 F 4.5319 9.2817 125.7605 58.4592 40.4277 174.3673 16 K 4.2721 7.4506 123.4339 55.4045 34.3571 175.1316 17 G 3.4400 8.6642 109.2092 44.3609 0.0000 172.1690 18 A 4.6988 8.2333 120.9162 50.5445 20.5214 176.5113 19 I 4.4506 7.9407 121.6166 58.4324 39.5847 174.2177 20 P 4.2449 0.0000 0.0000 62.4979 31.9768 177.3239 21 L 3.8009 8.5050 122.8841 57.7647 41.6184 179.5416 22 R 4.1006 7.7412 113.1957 58.1435 29.7166 177.2904 23 K 4.2260 7.9940 117.6973 56.9804 32.5891 176.1723 24 L 4.6764 7.6023 120.2464 53.8605 42.6486 175.8239 25 K 4.4324 9.0249 125.0841 58.4054 33.7423 175.3547 26 T 4.9071 7.6472 112.0015 61.6267 70.7074 171.3788 27 W 5.8639 8.4315 117.7953 55.9449 31.3463 172.9930 28 Y 4.1085 8.4941 118.0609 56.2327 41.5269 173.1090 29 Q 4.9567 8.7369 120.1873 54.0326 31.5230 174.0215 30 T 4.6989 8.6883 115.9300 59.9601 71.5851 172.8255 31 S 4.6110 7.7950 115.0068 57.4168 66.2298 173.5272 32 E 3.9157 8.0597 115.2195 55.4615 29.5633 172.9272 33 D 4.4326 8.3803 117.7761 56.4140 41.3191 175.2541 34 C 4.0734 9.1609 120.8556 55.2395 39.9594 174.9722 35 S 3.9155 8.0150 114.8832 59.3096 63.0014 175.3852 36 R 3.6482 8.4362 117.5430 56.4473 27.3702 175.2242 37 D 4.6896 8.3822 113.7207 53.8189 39.4581 174.0305 38 A 4.4613 7.8904 119.2666 52.0554 20.1150 177.8264 39 I 3.8723 8.2329 122.2190 60.8500 38.6636 175.1523 40 V 4.3975 8.4893 128.1841 61.1979 33.1803 174.4472 41 F 5.2850 9.0324 127.7981 56.6032 40.8479 174.8813 42 V 4.9536 8.9151 123.9007 61.5936 33.3355 175.4666 43 T 4.7836 8.8462 118.7410 60.5596 70.3954 176.1319 44 V 3.5547 8.6383 122.5389 66.0321 31.5591 176.8263 45 Q 4.2734 8.0775 115.9860 55.7642 28.6486 175.8205 46 G 3.8564 8.3443 106.2680 46.4287 0.0000 173.8921 47 R 4.6351 7.9097 117.2740 53.9186 32.7667 174.7606 48 A 5.3067 8.3146 120.8539 50.4167 21.6624 176.4478 49 I 4.5022 9.0281 122.0956 59.5023 40.4630 172.3049 50 C 5.1003 8.7885 122.6660 55.0183 39.4828 172.9000 51 S 5.1370 8.8895 116.8430 56.5538 67.9665 173.0623 52 D 3.3700 8.3450 122.0901 53.1612 40.7566 175.3713 53 P 4.2331 0.0000 0.0000 64.9762 31.5096 176.7329 54 N 4.6361 7.8668 114.9406 53.1443 39.1220 174.9410 55 N 4.5783 7.7625 118.4908 52.5517 40.6385 175.5938 56 K 3.9255 8.5681 127.5027 60.3480 32.7786 179.5347 57 R 3.8728 8.0423 118.8771 58.7164 29.9271 179.0762 58 V 3.7194 8.0046 117.9624 65.9932 31.6366 178.0582 59 K 3.7871 8.1213 118.2832 59.8058 31.9519 179.0618 60 N 4.3508 8.5033 116.5526 56.1943 38.3951 177.3937 61 A 4.0652 8.1321 122.3772 54.7812 18.3750 179.6210 62 V 3.1886 8.0204 117.0380 66.2585 31.3939 178.5279 63 K 3.9061 8.0275 117.9425 59.2834 31.8309 178.5285 64 Y 4.1812 8.0759 119.9673 61.0098 38.8347 178.5336 65 L 3.7128 8.0600 119.5694 57.7163 41.5816 179.4940 66 Q 4.1285 8.4062 118.3860 59.2686 28.4538 179.1748 67 S 4.1763 8.0710 115.1674 61.1483 63.1249 176.1578 68 L 4.0006 7.7882 123.3903 57.9356 41.5299 178.7281 69 E 3.9955 7.7628 117.2982 59.4804 29.5497 178.9491 70 R 4.2693 7.4544 114.3754 56.4665 30.1081 176.8573 71 S 4.2912 7.8418 119.7726 59.0707 63.2744 175.7164 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 6 V 8.04 4.02 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 0.96 0.00 0.00 0.92 0.00 0.00 7 G 8.30 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.34 4.08 0.00 1.79 1.85 0.00 3.39 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 9 E 8.57 4.78 0.00 2.16 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 2.26 2.36 0.00 10 C 8.45 4.99 0.00 2.94 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 11 C 8.50 4.67 0.00 2.98 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 12 L 8.67 4.10 0.00 1.69 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.44 4.55 0.00 1.96 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 0.00 2.16 2.32 0.00 14 Y 8.03 4.77 0.00 2.92 2.83 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 15 F 9.28 4.53 0.00 3.19 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 4.27 0.00 1.32 1.48 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.31 7.81 17 G 8.66 3.44 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 0.00 0.00 0.00 0.00 18 A 8.23 4.70 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 19 I 7.94 4.45 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.73 0.72 0.00 0.00 20 P 0.00 4.24 0.00 2.12 1.93 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 21 L 8.50 3.80 0.00 1.30 0.84 0.37 0.60 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 22 R 7.74 4.10 0.00 1.92 2.03 0.00 3.01 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 23 K 7.99 4.23 0.00 1.97 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.37 7.81 24 L 7.60 4.68 0.00 1.89 1.72 0.63 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.02 4.43 0.00 1.78 2.05 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.40 7.81 26 T 7.65 4.91 4.31 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 1.28 0.00 0.00 27 W 8.43 5.86 0.00 3.19 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 28 Y 8.49 4.11 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.74 4.96 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 30 T 8.69 4.70 4.30 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 1.41 0.00 0.00 31 S 7.79 4.61 0.00 3.96 3.90 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 32 E 8.06 3.92 0.00 2.41 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 0.00 2.18 2.24 0.00 33 D 8.38 4.43 0.00 2.64 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 34 C 9.16 4.07 0.00 3.28 3.59 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 0.00 35 S 8.01 3.92 0.00 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 3.65 0.00 2.01 2.02 0.00 2.86 0.00 0.00 2.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 37 D 8.38 4.69 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.46 1.44 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 0.00 0.00 0.00 39 I 8.23 3.87 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.77 0.06 0.00 0.00 40 V 8.49 4.40 0.67 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 0.82 0.00 0.00 0.57 0.00 0.00 41 F 9.03 5.29 0.00 3.18 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 42 V 8.92 4.95 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 1.18 0.00 0.00 1.15 0.00 0.00 43 T 8.85 4.78 4.33 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 1.22 0.00 0.00 44 V 8.64 3.55 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 0.80 0.00 0.00 0.98 0.00 0.00 45 Q 8.08 4.27 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.18 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 G 8.34 3.86 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 0.00 0.00 0.00 47 R 7.91 4.64 0.00 1.88 1.82 0.00 3.09 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 48 A 8.31 5.31 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 49 I 9.03 4.50 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.72 0.30 0.00 0.00 50 C 8.79 5.10 0.00 3.05 3.22 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 0.00 0.00 0.00 0.00 51 S 8.89 5.14 0.00 3.91 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 52 D 8.35 3.37 0.00 2.06 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 0.00 0.00 0.00 0.00 53 P 0.00 4.23 0.00 2.16 2.23 0.00 3.29 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 54 N 7.87 4.64 0.00 2.70 2.85 0.00 0.00 6.92 8.02 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 55 N 7.76 4.58 0.00 2.70 2.74 0.00 0.00 6.90 6.63 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 56 K 8.57 3.93 0.00 2.00 2.03 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 57 R 8.04 3.87 0.00 2.01 2.00 0.00 3.11 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 58 V 8.00 3.72 2.31 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 1.16 0.00 0.00 1.08 0.00 0.00 59 K 8.12 3.79 0.00 1.95 1.79 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.62 7.81 60 N 8.50 4.35 0.00 2.90 2.85 0.00 0.00 6.97 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 61 A 8.13 4.07 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 62 V 8.02 3.19 1.86 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 -0.20 0.00 0.00 0.41 0.00 0.00 63 K 8.03 3.91 0.00 1.99 1.84 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 64 Y 8.08 4.18 0.00 3.08 3.22 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 0.00 0.00 0.00 0.00 65 L 8.06 3.71 0.00 2.00 1.92 1.37 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.41 4.13 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 67 S 8.07 4.18 0.00 3.80 3.91 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 68 L 7.79 4.00 0.00 1.48 1.61 0.86 0.48 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 69 E 7.76 4.00 0.00 2.27 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 2.36 2.38 0.00 70 R 7.45 4.27 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 71 S 7.84 4.29 0.00 3.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00