NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1673 8.2644 123.5819 51.7543 19.7787 176.5486 2 K 3.8145 8.3896 124.5464 58.8574 31.1024 173.4548 3 G 3.7408 8.7440 111.8221 44.6707 0.0000 171.8618 4 I 4.4183 7.5677 117.6940 58.0201 37.1504 173.0488 5 R 5.2193 7.6188 120.3349 57.7947 36.7108 176.4948 6 E 4.0207 8.0880 117.2311 55.3763 29.9146 177.0824 7 K 4.1366 8.3222 119.4844 56.6171 31.4851 176.9612 8 I 3.9663 8.3072 125.9416 60.8460 39.8325 174.1916 9 K 4.7145 8.3879 124.3643 54.8329 31.9922 176.3352 10 L 4.4453 8.3605 125.3858 53.3848 42.7066 178.0308 11 V 3.6222 8.5077 123.4627 64.0425 31.9219 175.4930 12 S 3.6183 7.5019 113.1399 59.6565 61.5465 171.6690 13 S 3.9761 7.9508 111.9735 56.5919 62.8022 173.8352 14 A 2.9849 7.8366 131.6777 50.5043 19.8460 177.2581 15 G 3.7085 8.1850 103.1267 47.1336 0.0000 173.1012 16 T 3.6809 7.9830 113.0444 61.1512 66.3911 172.3978 17 G 4.3457 6.6961 123.2286 46.6010 0.0000 172.5131 18 H 4.5192 8.5647 117.5795 55.4790 30.4470 172.8916 19 F 3.7355 7.5300 123.1301 58.5637 39.8076 173.6702 20 Y 4.4445 8.1933 118.4096 58.8464 40.4927 172.2481 21 T 3.5565 8.2947 122.6835 63.4839 68.3427 172.1306 22 T 4.0067 9.4276 116.5237 65.7284 69.4386 177.2641 23 T 3.6402 6.5177 118.2873 61.1282 64.1915 172.1119 24 K 4.6556 7.9357 123.4127 55.8090 35.0277 175.3627 25 N 5.2138 7.9841 114.3751 51.4325 43.1476 174.5782 26 K 4.2824 8.6340 120.0151 56.7257 33.6066 176.9015 27 R 4.8938 8.2081 116.3085 55.2287 30.2334 177.1315 28 T 3.9438 8.0211 115.7428 65.7845 68.6650 175.0722 29 K 4.3294 7.5267 118.1308 56.4854 34.0589 174.2519 30 P 5.0889 0.0000 0.0000 60.8725 34.1948 173.8045 31 E 4.6833 7.9694 116.2707 56.7442 31.7263 173.2964 32 K 3.7333 8.6493 115.7500 57.7918 31.2889 175.2151 33 L 3.9768 8.1660 124.8827 56.3771 42.4531 177.4214 34 E 4.8993 8.0731 120.4589 55.1879 31.0842 173.5453 35 L 5.8098 7.8835 120.7833 52.6512 44.0049 177.5351 36 K 4.4170 7.8902 117.8768 55.8381 34.2087 174.1068 37 K 4.1320 7.9805 115.2554 54.2902 34.6391 172.2388 38 F 3.0540 7.5152 126.5364 57.3779 40.5286 174.1378 39 D 5.3523 7.9388 125.6320 50.9615 41.0580 174.0986 40 P 5.0128 0.0000 0.0000 62.1094 32.0602 176.8686 41 V 3.8132 9.4116 116.2213 63.8783 31.7561 176.5259 42 V 4.4262 7.6204 116.9354 62.0127 34.3232 177.0240 43 R 4.0218 8.5596 121.8538 57.1888 26.9182 175.0832 44 Q 4.5399 8.2366 114.8423 57.9146 32.3922 174.8191 45 H 4.7720 7.9016 119.2908 53.4835 31.8935 173.8776 46 V 3.3297 9.2582 129.7122 62.7668 33.0675 174.2215 47 I 3.0654 8.3508 117.6147 62.1412 34.4305 172.9461 48 Y 4.2074 8.6683 117.2785 58.7735 33.9207 169.3464 49 K 4.7453 7.9496 117.5104 54.5044 33.5155 172.6742 50 E 3.6737 8.3226 126.6887 55.7596 31.2680 175.0705 51 A 4.4827 8.2721 132.3996 51.9236 18.7715 176.2574 52 K 4.6142 8.2616 115.5712 55.7979 35.4812 176.0947 53 I 4.3710 7.9975 125.0019 59.6053 38.9959 175.8150 54 K 4.1160 8.4284 122.7968 56.7937 32.0662 176.6655 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 1 A 8.26 4.17 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 2 K 8.39 3.81 0.00 1.79 1.78 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.56 7.81 3 G 8.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.57 4.42 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.91 0.00 0.00 5 R 7.62 5.22 0.00 1.90 1.95 0.00 2.71 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 6 E 8.09 4.02 0.00 1.98 1.95 0.00 0.00 0.00 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 2.29 0.00 7 K 8.32 4.14 0.00 1.64 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.44 7.81 8 I 8.31 3.97 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.62 0.91 0.00 0.00 9 K 8.39 4.71 0.00 1.67 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.46 7.81 10 L 8.36 4.45 0.00 1.72 1.67 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.51 3.62 2.07 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 0.72 0.00 0.00 0.90 0.00 0.00 12 S 7.50 3.62 0.00 4.06 4.10 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 13 S 7.95 3.98 0.00 3.96 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.84 2.98 0.27 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 15 G 8.18 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.98 3.68 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 1.25 0.00 0.00 17 G 6.70 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.56 4.52 0.00 3.09 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.53 3.74 0.00 2.85 2.47 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 20 Y 8.19 4.44 0.00 3.03 2.82 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 0.00 0.00 0.00 21 T 8.29 3.56 4.05 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 1.26 0.00 0.00 22 T 9.43 4.01 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 23 T 6.52 3.64 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 1.26 0.00 0.00 24 K 7.94 4.66 0.00 1.98 1.84 0.00 1.46 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.54 7.81 25 N 7.98 5.21 0.00 2.62 2.72 0.00 0.00 6.98 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.63 4.28 0.00 1.74 1.82 0.00 1.40 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.50 7.81 27 R 8.21 4.89 0.00 2.08 2.11 0.00 3.29 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 28 T 8.02 3.94 4.24 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 1.25 0.00 0.00 29 K 7.53 4.33 0.00 1.83 1.80 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.48 7.81 30 P 0.00 5.09 0.00 2.17 2.11 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 31 E 7.97 4.68 0.00 2.03 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 2.17 2.26 0.00 32 K 8.65 3.73 0.00 1.91 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.44 7.81 33 L 8.17 3.98 0.00 1.62 1.66 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.07 4.90 0.00 1.99 1.77 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 2.49 2.30 0.00 35 L 7.88 5.81 0.00 1.79 1.71 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.89 4.42 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.58 7.81 37 K 7.98 4.13 0.00 1.64 1.62 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.25 7.81 38 F 7.52 3.05 0.00 2.65 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 5.35 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.01 0.00 2.60 2.42 0.00 3.79 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 41 V 9.41 3.81 2.09 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 0.76 0.00 0.00 0.72 0.00 0.00 42 V 7.62 4.43 2.12 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 0.85 0.00 0.00 0.94 0.00 0.00 43 R 8.56 4.02 0.00 2.10 1.93 0.00 3.39 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 44 Q 8.24 4.54 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 45 H 7.90 4.77 0.00 3.10 2.99 0.00 5.91 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.26 3.33 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 0.76 0.00 0.00 0.98 0.00 0.00 47 I 8.35 3.07 2.01 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 1.46 0.78 0.94 0.00 0.00 48 Y 8.67 4.21 0.00 3.18 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 49 K 7.95 4.75 0.00 1.82 1.87 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.39 7.81 50 E 8.32 3.67 0.00 2.18 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 0.00 2.19 2.30 0.00 51 A 8.27 4.48 1.22 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 0.00 0.00 52 K 8.26 4.61 0.00 1.65 1.62 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.51 7.81 53 I 8.00 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.90 0.00 0.00 54 K 8.43 4.12 0.00 1.69 1.67 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.48 7.81