NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3810 8.2644 123.5842 52.2106 19.3015 175.8762 3 R 4.3954 7.5970 118.4730 53.5576 32.5750 174.9453 4 K 4.1413 8.5993 120.3394 59.2269 33.4607 177.8617 5 A 4.1112 7.9743 119.8925 54.3973 17.7369 178.9348 6 L 4.3170 7.8288 117.3507 56.9579 40.7351 178.9020 7 I 3.8233 7.5646 112.4036 63.6128 37.3332 177.9220 8 E 4.3445 8.0388 119.7371 58.4487 29.6673 178.1823 9 K 4.0568 7.6417 116.7878 58.6686 32.2244 178.0909 10 A 4.1752 7.3822 119.3104 54.5270 18.9680 179.3088 11 K 4.1566 7.2280 114.2072 58.4989 32.2743 177.6609 12 R 3.8792 7.1689 118.3858 57.5033 30.0429 176.9992 13 T 4.6655 8.1447 122.3553 62.5433 69.2690 174.6101 14 P 4.2563 0.0000 0.0000 65.2033 31.7626 176.6012 15 K 4.0257 7.6237 117.3447 54.2865 33.3647 175.7500 16 F 4.2136 7.9302 118.5868 57.8046 39.2121 176.8606 17 K 4.3675 8.6147 120.0596 58.2542 32.9595 178.3887 18 V 3.7832 7.8469 119.7326 66.0207 31.6199 176.7036 19 R 4.2905 7.7156 114.4618 56.9434 30.4957 176.3861 20 A 4.3704 7.7346 122.4572 51.6983 18.0141 176.1904 21 Y 4.3769 8.0884 120.3498 57.5033 39.0612 175.4189 22 T 4.3071 8.0723 110.5406 60.8343 70.7513 173.6751 23 R 4.5058 7.8649 117.3986 55.2887 32.7236 173.6516 24 C 4.2453 9.3140 126.9043 59.7543 31.7441 173.4764 25 V 3.6969 8.3203 128.0608 66.0563 31.5422 177.5453 26 R 4.0308 7.9404 119.0326 58.7611 30.3396 176.5693 27 C 4.7425 7.6754 111.7537 56.2551 31.7267 174.9206 28 G 3.8981 8.3249 111.2821 45.0218 0.0000 171.1600 29 R 4.5212 7.8809 122.6085 54.7623 33.0891 175.7038 30 A 3.9426 8.7876 128.1179 54.2491 19.3769 177.7896 31 R 4.2391 7.9268 113.8350 56.6387 31.3954 176.0828 32 S 3.6103 8.3986 113.1187 59.2014 62.0563 171.9469 33 V 4.4386 7.5593 118.0576 62.7967 32.9477 174.1259 34 Y 4.6099 8.8709 124.8865 56.8094 39.1801 177.1723 35 R 4.0214 8.7511 123.2374 59.3556 30.6912 178.1772 36 F 4.2548 8.5235 118.8703 61.3406 39.6522 176.1248 37 F 4.0151 8.5270 117.4793 58.3773 39.2031 177.1035 38 G 3.9833 8.5641 108.3719 44.9864 0.0000 172.6837 39 L 4.9642 7.7044 119.1674 53.1000 44.6446 175.0943 40 C 5.5118 8.2255 113.8433 56.5005 32.5020 174.0601 41 R 3.8760 8.6626 114.9092 59.8239 29.2017 178.5640 42 I 3.6645 7.6469 119.9682 64.3012 37.2679 177.8331 43 C 4.2457 7.9703 118.2084 62.6145 28.0429 175.1922 44 L 3.4587 7.8407 121.0795 58.8267 41.4438 178.8178 45 R 3.6737 7.9424 117.3701 59.4919 29.5702 178.5661 46 E 3.9324 7.9072 117.5790 59.6565 29.5420 179.4946 47 L 4.0121 8.0201 118.5749 57.5705 41.3913 179.5106 48 A 3.9798 7.8448 120.3270 55.3096 18.3441 179.0054 49 H 4.3659 7.9221 114.0616 59.0182 28.8077 177.8905 50 K 4.1626 7.7314 119.5835 58.5139 32.1750 178.4142 51 G 4.0721 8.4154 106.6317 45.3960 0.0000 174.9346 52 Q 4.1394 7.9547 117.0674 57.2599 29.3111 175.9257 53 L 4.6616 7.6257 119.8336 52.0993 42.7244 174.3127 54 P 4.4473 0.0000 0.0000 63.6777 32.0398 175.8498 55 G 4.2548 8.9616 116.6064 45.9553 0.0000 173.8921 56 V 3.5298 6.7372 118.8196 62.9660 31.4705 175.0608 57 R 4.7075 8.2152 125.7373 53.7159 33.3820 174.2854 58 K 4.0335 8.5411 122.8618 55.9507 32.6701 176.5389 59 A 4.3591 8.5159 129.6595 52.6268 18.9618 178.0637 60 S 4.5901 8.4631 118.3382 56.5892 64.6279 174.2913 61 W 4.5776 7.8657 120.4391 56.2896 28.0452 176.2024 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 A 8.26 4.38 1.29 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 0.00 0.00 3 R 7.60 4.40 0.00 1.81 1.89 0.00 3.25 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 4 K 8.60 4.14 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.56 7.81 5 A 7.97 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.32 0.00 1.75 1.80 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.56 3.82 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 1.03 0.00 0.00 8 E 8.04 4.34 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 2.36 2.36 0.00 9 K 7.64 4.06 0.00 1.98 2.05 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.50 7.81 10 A 7.38 4.18 1.10 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 0.00 0.00 11 K 7.23 4.16 0.00 1.68 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 12 R 7.17 3.88 0.00 1.94 1.93 0.00 3.13 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 13 T 8.14 4.67 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 1.21 0.00 0.00 14 P 0.00 4.26 0.00 2.12 2.14 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 15 K 7.62 4.03 0.00 1.79 1.87 0.00 1.70 0.00 0.00 1.36 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.44 7.81 16 F 7.93 4.21 0.00 3.07 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 17 K 8.61 4.37 0.00 1.91 1.98 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 V 7.85 3.78 2.11 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 0.82 0.00 0.00 0.95 0.00 0.00 19 R 7.72 4.29 0.00 2.03 2.10 0.00 3.44 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 20 A 7.73 4.37 1.33 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 21 Y 8.09 4.38 0.00 3.14 2.98 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 0.00 0.00 0.00 22 T 8.07 4.31 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 1.24 0.00 0.00 23 R 7.86 4.51 0.00 1.59 1.70 0.00 3.43 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 24 C 9.31 4.25 0.00 3.14 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 25 V 8.32 3.70 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 0.82 0.00 0.00 1.01 0.00 0.00 26 R 7.94 4.03 0.00 1.84 1.98 0.00 3.23 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 27 C 7.68 4.74 0.00 3.08 2.92 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 28 G 8.32 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 0.00 0.00 0.00 29 R 7.88 4.52 0.00 1.83 1.78 0.00 3.20 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 30 A 8.79 3.94 1.42 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 0.00 0.00 31 R 7.93 4.24 0.00 1.85 1.89 0.00 3.37 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 32 S 8.40 3.61 0.00 4.17 4.11 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 33 V 7.56 4.44 2.15 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 0.94 0.00 0.00 1.08 0.00 0.00 34 Y 8.87 4.61 0.00 3.30 3.15 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 35 R 8.75 4.02 0.00 1.90 2.05 0.00 3.23 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 36 F 8.52 4.25 0.00 2.94 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 37 F 8.53 4.02 0.00 3.12 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 38 G 8.56 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.70 4.96 0.00 1.62 1.55 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.23 5.51 0.00 3.36 3.17 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 0.00 0.00 0.00 0.00 41 R 8.66 3.88 0.00 2.12 2.41 0.00 3.00 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 42 I 7.65 3.66 1.87 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 1.66 1.18 0.97 0.00 0.00 43 C 7.97 4.25 0.00 2.94 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 44 L 7.84 3.46 0.00 1.29 1.47 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.94 3.67 0.00 1.93 1.84 0.00 3.15 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 46 E 7.91 3.93 0.00 2.22 1.97 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 2.33 2.52 0.00 47 L 8.02 4.01 0.00 1.62 1.69 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.84 3.98 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 49 H 7.92 4.37 0.00 3.44 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.73 4.16 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 51 G 8.42 4.07 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 0.00 0.00 0.00 52 Q 7.95 4.14 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 53 L 7.63 4.66 0.00 1.71 1.74 0.74 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.45 0.00 2.09 2.02 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 55 G 8.96 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 56 V 6.74 3.53 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 0.76 0.00 0.00 1.32 0.00 0.00 57 R 8.22 4.71 0.00 1.92 1.77 0.00 3.32 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 58 K 8.54 4.03 0.00 1.78 1.73 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.40 7.81 59 A 8.52 4.36 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.46 4.59 0.00 3.86 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 61 W 7.87 4.58 0.00 3.28 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