NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0870 8.0544 120.4198 62.6997 32.5602 174.1556 7 D 4.7803 8.7960 126.6132 52.4969 42.8955 174.6902 8 C 4.9739 9.4421 126.1221 57.1158 36.4762 175.0894 9 S 4.2234 8.2488 118.7329 61.8418 62.6749 176.0143 10 E 4.3531 8.3510 115.9153 56.9884 29.0267 175.7754 11 Y 4.4451 7.7412 117.7329 55.3273 40.2620 173.5681 12 P 5.0599 0.0000 0.0000 62.3200 32.5343 175.5220 13 K 4.5234 8.9883 118.4331 53.6904 34.4601 176.1333 14 P 4.1910 0.0000 0.0000 64.9321 31.6015 176.0073 15 A 4.6158 7.1562 120.1988 50.9947 22.2326 174.5998 16 C 4.8583 7.7760 116.6222 54.8941 43.8800 174.5919 17 T 3.9556 8.0230 112.7017 61.3082 69.4808 174.1478 18 W 5.3175 8.1781 120.2322 56.2608 29.7016 176.2663 19 E 4.4114 8.2821 115.2492 55.9502 30.5066 175.0524 20 Y 4.9358 8.4352 120.8596 56.3736 40.1064 176.4535 21 R 4.6643 8.7468 126.9684 53.9092 32.8116 172.5786 22 P 4.5877 0.0000 0.0000 62.9474 32.9663 175.8176 23 L 5.0264 8.9904 120.4616 53.1557 46.5548 174.4734 24 C 4.9576 8.8534 122.5059 54.9219 42.5560 173.7995 25 G 4.6234 8.9904 114.2862 45.2332 0.0000 174.3545 26 S 4.4954 9.0459 114.4690 59.6372 63.1224 174.5855 27 D 4.6645 8.1038 119.9175 52.9936 39.4292 176.3547 28 N 4.2801 8.1231 115.0229 54.0690 36.9158 173.4261 29 K 4.4635 8.0621 120.3555 55.2295 34.2184 175.4954 30 T 4.7394 8.2925 123.6897 63.3495 69.5314 173.4869 31 Y 4.4058 9.3343 125.0382 56.1547 39.5175 177.3781 32 G 3.7704 9.1030 113.5040 48.6372 0.0000 172.3840 33 N 5.2810 7.6976 116.8226 51.5554 40.9956 175.1556 34 K 3.9831 8.5357 121.0943 59.7374 32.2286 179.1141 35 C 4.6572 8.2770 119.7591 59.1068 37.9577 174.8612 36 N 4.4027 9.0256 119.1082 56.6521 38.6280 176.6039 37 F 3.5022 8.3951 121.9569 61.5140 39.5439 176.5088 38 C 3.7192 8.2673 116.4037 59.7718 37.8890 175.9751 39 N 4.2792 7.9203 117.9230 56.1115 38.1291 177.3578 40 A 3.9467 7.5915 121.9941 54.7915 18.3940 179.7722 41 V 3.1584 7.1232 116.8059 65.9554 31.5243 178.3732 42 V 3.4979 7.4276 117.7699 66.1315 31.2198 177.6496 43 E 4.1845 8.3054 117.9119 58.6305 29.5524 177.8196 44 S 4.4288 7.9452 112.8243 57.3253 63.3243 173.5653 45 N 4.2542 9.2809 119.9339 55.1368 37.4204 174.9265 46 G 3.9243 8.2938 103.2303 45.4993 0.0000 175.3378 47 T 4.0791 7.4580 110.3110 63.2737 69.4181 175.3468 48 L 4.1632 7.7732 124.4731 54.7927 42.7408 175.4613 49 T 4.8716 8.5660 114.6408 59.5681 73.0117 172.2366 50 L 4.1473 8.4812 124.1552 55.1053 42.1826 176.0178 51 S 4.4636 9.0240 122.8045 60.3636 62.8982 173.3791 52 H 4.4999 7.1652 112.2366 54.7367 31.1901 172.7890 53 F 4.3029 8.7296 118.1766 58.1325 39.5506 176.1042 54 G 3.9565 8.4269 109.7340 44.4075 0.0000 173.3737 55 K 4.2156 8.0472 117.3826 56.2078 32.6756 178.3239 56 C 4.5216 8.9943 118.3825 57.4733 41.0740 173.8364 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 8.05 4.09 2.04 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 1.02 0.00 0.00 1.05 0.00 0.00 7 D 8.80 4.78 0.00 2.74 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 8 C 9.44 4.97 0.00 2.92 2.88 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 9 S 8.25 4.22 0.00 3.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.35 0.00 1.81 1.82 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 2.30 2.37 0.00 11 Y 7.74 4.45 0.00 3.17 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 12 P 0.00 5.06 0.00 2.22 2.11 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 13 K 8.99 4.52 0.00 1.67 1.69 0.00 1.25 0.00 0.00 1.45 0.00 0.00 2.55 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.00 0.61 7.81 14 P 0.00 4.19 0.00 2.15 2.16 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 15 A 7.16 4.62 1.08 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 0.00 0.00 16 C 7.78 4.86 0.00 2.20 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 17 T 8.02 3.96 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 1.13 0.00 0.00 18 W 8.18 5.32 0.00 3.33 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 19 E 8.28 4.41 0.00 2.17 2.04 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 2.35 2.29 0.00 20 Y 8.44 4.94 0.00 2.93 2.96 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 0.00 0.00 0.00 21 R 8.75 4.66 0.00 1.67 1.74 0.00 3.21 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 22 P 0.00 4.59 0.00 1.99 1.73 0.00 3.37 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 23 L 8.99 5.03 0.00 1.32 1.04 0.58 0.63 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 24 C 8.85 4.96 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 4.62 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 0.00 0.00 0.00 26 S 9.05 4.50 0.00 4.01 4.02 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 D 8.10 4.66 0.00 2.86 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 28 N 8.12 4.28 0.00 2.94 3.00 0.00 0.00 6.75 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 29 K 8.06 4.46 0.00 1.77 1.69 0.00 1.45 0.00 0.00 1.27 0.00 0.00 2.37 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.59 1.14 7.81 30 T 8.29 4.74 4.23 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 1.30 0.00 0.00 31 Y 9.33 4.41 0.00 3.07 3.07 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 32 G 9.10 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.70 5.28 0.00 3.03 3.13 0.00 0.00 6.37 7.19 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 34 K 8.54 3.98 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.62 1.52 7.81 35 C 8.28 4.66 0.00 3.16 3.30 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 0.00 36 N 9.03 4.40 0.00 3.22 3.19 0.00 0.00 6.87 7.38 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 37 F 8.40 3.50 0.00 3.07 3.07 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 38 C 8.27 3.72 0.00 1.47 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.28 0.00 2.91 2.90 0.00 0.00 6.83 7.90 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 40 A 7.59 3.95 1.16 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 0.00 0.00 41 V 7.12 3.16 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 0.80 0.00 0.00 0.04 0.00 0.00 42 V 7.43 3.50 2.24 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 0.94 0.00 0.00 1.03 0.00 0.00 43 E 8.31 4.18 0.00 2.02 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 0.00 2.32 2.32 0.00 44 S 7.95 4.43 0.00 4.05 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 45 N 9.28 4.25 0.00 2.78 2.90 0.00 0.00 7.17 7.88 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 46 G 8.29 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 47 T 7.46 4.08 4.23 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 1.23 0.00 0.00 48 L 7.77 4.16 0.00 1.50 1.37 1.07 0.29 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 49 T 8.57 4.87 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 1.21 0.00 0.00 50 L 8.48 4.15 0.00 1.31 1.40 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.02 4.46 0.00 3.85 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 52 H 7.17 4.50 0.00 3.23 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.73 4.30 0.00 3.04 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 54 G 8.43 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.05 4.22 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.56 7.81 56 C 8.99 4.52 0.00 2.92 3.01 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