NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1006 8.0544 114.0813 61.2692 32.8519 174.1128 7 D 4.7435 8.7875 124.6949 52.4767 42.4233 174.8056 8 C 4.9260 8.5048 125.4494 57.0514 36.1831 174.9860 9 S 4.2090 8.4148 118.1778 60.9676 62.8672 174.4720 10 E 4.7143 8.2158 117.6276 56.6845 30.0453 175.3295 11 Y 4.2710 7.6908 116.1334 56.2055 40.6008 173.8746 12 P 5.0241 0.0000 0.0000 62.3803 32.5443 175.5841 13 K 4.5506 8.8705 118.4652 53.8591 34.7197 175.3942 14 P 4.4042 0.0000 0.0000 64.6637 31.8594 176.0076 15 A 4.7015 7.4834 119.9418 50.8986 22.0742 175.6428 16 C 5.0256 8.1246 116.5937 54.9115 43.8584 174.4635 17 T 4.0032 8.1268 112.3073 61.5923 69.3811 173.9558 18 F 5.3492 8.1576 118.8048 57.0499 39.7281 175.9192 19 E 4.3473 8.3364 117.3841 56.0858 30.6584 175.0516 20 Y 4.9333 8.4463 120.7550 56.2633 40.0533 176.1376 21 R 4.5554 8.6944 127.3099 54.2751 32.9844 172.7627 22 P 4.5615 0.0000 0.0000 62.4152 33.2767 175.4574 23 L 4.9929 8.7257 120.1373 53.0832 46.2598 174.5861 24 C 4.9969 8.8197 122.6178 54.8537 46.6291 173.6778 25 G 4.6382 9.0479 114.3039 45.4375 0.0000 174.5194 26 S 4.3994 9.1555 115.7005 59.9940 63.0886 174.6788 27 D 4.6578 8.1433 119.9416 52.9640 39.3558 176.3112 28 N 4.2371 8.1813 114.8415 54.0983 36.9548 173.3733 29 K 4.4202 8.1161 120.6360 55.1350 34.0595 175.7156 30 T 4.5488 8.3560 124.2740 63.7580 69.2912 173.3290 31 Y 4.4214 9.1416 125.3061 56.2908 39.5702 177.5571 32 G 3.6878 9.0974 113.1993 48.2431 0.0000 172.4629 33 N 5.3085 7.6695 117.3148 51.5681 41.0223 175.1170 34 K 3.9855 8.5410 120.9511 59.7626 32.1838 179.0547 35 C 4.6227 8.2252 119.7036 59.2800 38.0010 175.1537 36 N 4.4011 9.1454 118.6245 56.1519 38.0700 177.1904 37 F 3.5719 8.4326 122.0639 61.4831 39.5337 176.5907 38 C 3.6363 8.2597 116.4363 59.8335 39.5717 175.9586 39 N 4.2572 8.0189 117.8803 56.0458 38.0769 177.3870 40 A 3.8669 7.5952 122.0260 54.8662 18.4045 179.7500 41 V 3.1671 7.1034 116.9232 65.9567 31.4698 178.4507 42 V 3.5059 7.5143 117.8907 66.0448 31.1969 177.6509 43 E 4.1000 8.2246 118.2030 58.6520 29.7553 177.8366 44 S 4.4663 7.8421 112.8602 57.2468 63.2769 173.5711 45 N 4.4040 9.1201 119.6882 55.1741 37.3579 175.0594 46 G 3.9348 8.3189 103.7846 45.3897 0.0000 175.3096 47 T 4.0653 7.4824 109.5576 63.2964 69.3977 175.2559 48 L 4.1588 7.5486 124.5453 54.7895 42.7075 175.3793 49 T 4.8684 8.6825 114.9112 59.5681 73.0488 172.0984 50 L 4.1949 8.4525 123.8085 54.9310 42.1013 176.0031 51 S 4.4237 8.9344 122.8160 60.5149 62.9437 173.2892 52 H 4.4265 7.1165 112.2364 54.7785 31.3001 172.6720 53 F 4.2862 8.6505 117.7115 57.9357 39.5387 176.3838 54 G 3.9884 8.4740 109.3853 44.6414 0.0000 173.4304 55 K 4.2032 8.0406 117.4995 56.1800 32.6779 178.3467 56 C 4.5083 8.9707 117.9926 57.4874 41.0715 173.8981 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 4.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.02 0.00 0.00 7 D 8.79 4.74 0.00 2.71 2.60 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 8 C 8.50 4.93 0.00 2.92 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 9 S 8.41 4.21 0.00 4.06 4.32 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 10 E 8.22 4.71 0.00 1.92 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 0.00 2.24 2.37 0.00 11 Y 7.69 4.27 0.00 3.32 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 12 P 0.00 5.02 0.00 2.21 2.11 0.00 3.70 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 8.87 4.55 0.00 1.65 1.74 0.00 1.27 0.00 0.00 1.57 0.00 0.00 2.64 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.05 0.72 7.81 14 P 0.00 4.40 0.00 2.16 2.16 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 15 A 7.48 4.70 1.15 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 16 C 8.12 5.03 0.00 2.85 2.94 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 17 T 8.13 4.00 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 1.15 0.00 0.00 18 F 8.16 5.35 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.35 0.00 2.16 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 2.35 2.29 0.00 20 Y 8.45 4.93 0.00 2.87 2.94 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 21 R 8.69 4.56 0.00 1.66 1.74 0.00 3.20 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 22 P 0.00 4.56 0.00 1.95 1.61 0.00 3.36 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 1.90 1.64 0.00 23 L 8.73 4.99 0.00 1.34 1.03 0.56 0.64 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 24 C 8.82 5.00 0.00 2.92 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.64 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 26 S 9.16 4.40 0.00 3.99 4.03 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 27 D 8.14 4.66 0.00 2.87 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 8.18 4.24 0.00 2.91 2.98 0.00 0.00 6.75 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 29 K 8.12 4.42 0.00 1.77 1.64 0.00 1.47 0.00 0.00 1.22 0.00 0.00 2.30 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.71 1.16 7.81 30 T 8.36 4.55 4.22 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 1.24 0.00 0.00 31 Y 9.14 4.42 0.00 3.09 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 32 G 9.10 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 5.31 0.00 3.02 3.13 0.00 0.00 6.37 7.22 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 34 K 8.54 3.99 0.00 1.89 1.91 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.55 7.81 35 C 8.23 4.62 0.00 3.19 3.31 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 0.00 36 N 9.15 4.40 0.00 3.16 3.13 0.00 0.00 6.67 7.83 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 37 F 8.43 3.57 0.00 3.03 3.13 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 0.00 0.00 0.00 0.00 38 C 8.26 3.64 0.00 1.40 1.56 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 39 N 8.02 4.26 0.00 2.88 2.90 0.00 0.00 6.87 7.75 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 40 A 7.60 3.87 1.09 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 41 V 7.10 3.17 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 0.83 0.00 0.00 0.02 0.00 0.00 42 V 7.51 3.51 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 0.96 0.00 0.00 1.03 0.00 0.00 43 E 8.22 4.10 0.00 1.97 2.14 0.00 0.00 0.00 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 2.31 0.00 44 S 7.84 4.47 0.00 4.06 4.08 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 45 N 9.12 4.40 0.00 2.79 2.90 0.00 0.00 7.18 7.68 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 46 G 8.32 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 47 T 7.48 4.07 4.22 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 1.23 0.00 0.00 48 L 7.55 4.16 0.00 1.52 1.37 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.68 4.87 4.27 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 1.21 0.00 0.00 50 L 8.45 4.19 0.00 1.33 1.40 0.05 -0.06 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 8.93 4.42 0.00 3.86 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 52 H 7.12 4.43 0.00 3.23 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.65 4.29 0.00 3.11 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 54 G 8.47 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 55 K 8.04 4.20 0.00 1.81 1.80 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.54 7.81 56 C 8.97 4.51 0.00 2.91 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