NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2790 8.3349 115.2923 60.4352 63.8858 173.7039 2 R 3.4745 7.5001 117.8844 57.2268 28.2519 172.4172 3 V 4.7693 7.4097 111.2548 59.4465 35.8127 176.4790 4 C 3.8716 8.5306 125.8937 60.6298 31.6067 175.7726 5 Q 4.0871 7.6953 121.3359 56.2845 29.4856 174.2243 6 V 4.1250 8.1254 116.1481 62.3685 32.5164 176.6603 7 T 4.4748 7.7530 106.9997 59.9390 69.2786 173.4977 8 G 3.9983 8.0240 108.6460 46.6403 0.0000 173.7271 9 K 4.2942 7.9510 118.4239 55.6990 33.5000 177.2543 10 R 5.9806 8.6470 125.3238 53.2211 33.4057 173.2570 11 P 4.8457 0.0000 0.0000 62.3544 32.1477 176.4691 12 V 4.2486 8.3723 119.1058 61.0267 33.4731 175.0674 13 T 4.9754 8.1336 110.6145 60.6608 71.7253 173.2782 14 G 4.3332 8.2869 108.4538 46.4798 0.0000 171.5039 15 N 5.2684 8.7887 116.8963 51.8799 40.0847 175.3634 16 N 4.2686 9.0063 120.3678 54.8467 39.9344 175.1563 17 R 3.4098 8.0109 111.2085 57.2651 26.9695 175.1939 18 S 4.6869 7.8159 117.0161 55.9289 65.6073 173.5208 19 H 4.1611 8.5483 117.0360 57.4977 28.6817 176.1211 20 A 3.7309 8.8104 122.2233 51.5746 17.0159 177.7276 21 L 3.5311 7.7576 115.3159 55.3072 38.7133 173.4461 22 N 4.8605 7.7681 114.2084 50.9376 39.6737 174.9921 23 A 4.2169 8.4347 126.1844 52.4174 19.4254 177.0406 24 T 4.3062 8.4591 111.7983 60.5233 71.3158 173.0778 25 K 4.4124 8.8394 126.3592 57.5213 32.1205 176.6018 26 R 4.5363 8.8403 116.9815 55.0896 34.1848 172.4391 27 R 3.7611 7.9745 121.5108 55.1623 30.7457 175.4634 28 F 4.6735 8.7352 119.5727 55.5775 39.6866 175.1024 29 L 4.5064 8.2424 126.0260 53.9430 41.4977 175.1835 30 P 4.4007 0.0000 0.0000 62.8602 31.3497 175.5174 31 N 4.3643 8.3342 116.9437 54.3654 39.3591 172.0696 32 L 4.2959 7.5393 123.3427 54.1059 41.6411 173.6143 33 H 4.5879 8.7993 114.5854 55.0942 35.8138 170.4182 34 S 3.8489 8.3812 120.0199 58.0700 61.2172 169.2301 35 H 4.6169 8.7654 127.9037 54.1985 32.4590 173.4957 36 R 4.6194 8.4174 124.6389 55.8770 28.9038 175.9282 37 F 4.8358 8.4631 122.3701 56.5317 41.3607 174.5868 38 W 5.1054 9.0590 131.6796 55.8224 30.5677 175.3134 39 V 3.4226 7.8955 121.4550 62.9302 31.3629 176.7809 40 E 3.2634 6.8815 124.4677 57.2125 28.8175 175.7880 41 S 4.4901 7.6356 108.0375 59.0594 62.7492 174.0051 42 E 4.3787 7.3656 117.3611 55.2609 31.8050 175.1310 43 K 3.0808 7.4199 114.2015 56.1202 29.5431 172.4075 44 R 4.1304 5.8400 119.8498 56.0207 34.1172 172.5763 45 F 5.4320 8.8618 119.2394 55.6689 41.1320 176.9768 46 V 4.5419 8.6950 115.8673 59.2273 31.0369 174.0597 47 T 4.6974 8.1395 114.0995 62.2962 68.1453 173.0106 48 L 4.8688 8.5619 128.6476 52.0543 45.0751 177.1044 49 R 4.3050 8.1443 123.1282 56.2149 27.7013 174.9088 50 V 4.5292 7.5481 122.6726 62.8155 34.6696 175.0146 51 S 4.8241 8.4693 114.4332 56.5025 65.5656 173.2147 52 A 4.2310 8.4259 123.8058 53.5591 18.8688 177.3802 53 K 4.2893 9.1069 125.4116 57.8679 32.1225 178.4689 54 G 3.7220 7.9175 104.4732 48.1830 0.0000 175.3564 55 M 4.1352 8.2025 120.9123 58.2675 32.1777 178.9257 56 R 3.9495 8.0204 117.6920 59.0660 30.1031 179.1997 57 V 3.5748 7.7859 118.1522 66.0140 31.5597 177.9279 58 I 3.5669 7.5320 119.5339 64.7156 36.6342 178.1124 59 D 4.3160 8.2288 119.0402 56.8177 40.8111 178.1880 60 K 4.1581 7.7774 118.4336 57.7188 32.3439 177.3382 61 K 4.2503 8.6314 117.6493 56.2416 34.1782 177.5350 62 G 3.9236 8.3791 106.3318 45.3337 0.0000 173.7807 63 I 3.4325 8.3375 123.9283 64.8632 37.8075 177.5299 64 D 4.8449 7.6080 119.3605 53.5054 39.3058 175.7559 65 T 4.6592 7.1918 115.8228 63.8566 76.4400 177.0402 66 V 4.3599 7.7652 122.2475 65.2412 31.1375 178.0477 67 L 3.7574 8.4793 118.2602 56.5914 41.3247 179.3042 68 A 3.7745 7.3601 120.5449 55.9524 18.7114 177.9009 69 E 4.4431 7.8039 115.7717 56.3693 32.3753 176.3111 70 L 3.8258 8.4566 124.7933 57.2238 41.9740 177.1635 71 R 3.8690 7.3091 117.0002 59.5003 29.8839 178.3571 72 A 4.0627 7.5743 118.2887 54.7194 18.3590 179.0777 73 R 4.0404 7.8802 116.4093 56.8102 31.5739 176.0405 74 G 3.7606 8.2003 105.4718 45.8762 0.0000 172.2463 75 E 4.8515 8.2584 117.7688 53.6990 34.9608 175.1183 76 K 3.4954 9.0756 115.7194 58.9269 32.1877 175.6067 77 Y 3.9675 9.2807 118.9485 57.7119 39.6029 167.9153 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 S 8.33 4.28 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 2 R 7.50 3.47 0.00 2.04 1.93 0.00 3.29 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 3 V 7.41 4.77 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 0.88 0.00 0.00 0.97 0.00 0.00 4 C 8.53 3.87 0.00 3.01 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 5 Q 7.70 4.09 0.00 2.53 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 6 V 8.13 4.13 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 0.89 0.00 0.00 0.90 0.00 0.00 7 T 7.75 4.47 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 1.21 0.00 0.00 8 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.29 0.00 1.74 1.77 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.47 7.81 10 R 8.65 5.98 0.00 1.69 1.89 0.00 3.26 0.00 0.00 3.95 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 11 P 0.00 4.85 0.00 2.10 2.11 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 12 V 8.37 4.25 2.16 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 0.69 0.00 0.00 1.16 0.00 0.00 13 T 8.13 4.98 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 1.24 0.00 0.00 14 G 8.29 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 0.00 0.00 0.00 0.00 15 N 8.79 5.27 0.00 2.65 2.76 0.00 0.00 6.78 8.00 0.00 0.00 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 N 9.01 4.27 0.00 2.86 2.81 0.00 0.00 7.41 7.74 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 17 R 8.01 3.41 0.00 1.91 1.90 0.00 3.30 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 18 S 7.82 4.69 0.00 4.03 4.01 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 19 H 8.55 4.16 0.00 3.13 3.34 0.00 5.97 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.81 3.73 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 3.53 0.00 1.79 1.72 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.77 4.86 0.00 2.59 2.78 0.00 0.00 7.19 7.35 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 23 A 8.43 4.22 1.23 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 0.00 0.00 0.00 24 T 8.46 4.31 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 1.20 0.00 0.00 25 K 8.84 4.41 0.00 1.64 1.79 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.78 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.42 7.81 26 R 8.84 4.54 0.00 1.45 1.82 0.00 2.41 0.00 0.00 2.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 27 R 7.97 3.76 0.00 2.35 2.00 0.00 2.96 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 28 F 8.74 4.67 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.51 0.00 1.77 1.68 0.92 0.72 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 30 P 0.00 4.40 0.00 2.07 2.10 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 31 N 8.33 4.36 0.00 2.70 2.77 0.00 0.00 6.95 7.78 0.00 0.00 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 L 7.54 4.30 0.00 1.75 1.60 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.80 4.59 0.00 3.12 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.38 3.85 0.00 4.01 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 35 H 8.77 4.62 0.00 2.97 2.16 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.42 4.62 0.00 1.51 1.49 0.00 3.22 0.00 0.00 3.15 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00 37 F 8.46 4.84 0.00 3.13 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 38 W 9.06 5.11 0.00 3.67 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.42 1.93 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 0.70 0.00 0.00 0.55 0.00 0.00 40 E 6.88 3.26 0.00 2.03 1.93 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 2.66 2.47 0.00 41 S 7.64 4.49 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.37 4.38 0.00 1.80 1.74 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 2.09 2.28 0.00 43 K 7.42 3.08 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.42 7.81 44 R 5.84 4.13 0.00 1.67 1.70 0.00 3.10 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 45 F 8.86 5.43 0.00 3.09 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 46 V 8.70 4.54 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 0.83 0.00 0.00 1.20 0.00 0.00 47 T 8.14 4.70 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 1.25 0.00 0.00 48 L 8.56 4.87 0.00 1.88 1.67 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.14 4.30 0.00 1.84 1.92 0.00 3.30 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 50 V 7.55 4.53 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 1.06 0.00 0.00 1.31 0.00 0.00 51 S 8.47 4.82 0.00 4.07 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 A 8.43 4.23 1.32 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 0.00 0.00 53 K 9.11 4.29 0.00 1.96 1.94 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 54 G 7.92 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 0.00 0.00 0.00 55 M 8.20 4.14 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 3.00 0.00 56 R 8.02 3.95 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 57 V 7.79 3.57 2.30 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 0.99 0.00 0.00 0.96 0.00 0.00 58 I 7.53 3.57 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.43 0.41 0.00 0.00 59 D 8.23 4.32 0.00 2.62 2.72 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 60 K 7.78 4.16 0.00 1.86 1.83 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 K 8.63 4.25 0.00 1.80 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.31 7.81 62 G 8.38 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 63 I 8.34 3.43 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.85 0.00 0.00 64 D 7.61 4.84 0.00 2.61 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 65 T 7.19 4.66 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 1.20 0.00 0.00 66 V 7.77 4.36 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 0.86 0.00 0.00 0.87 0.00 0.00 67 L 8.48 3.76 0.00 1.43 1.11 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.36 3.77 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 69 E 7.80 4.44 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 70 L 8.46 3.83 0.00 1.83 1.62 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.31 3.87 0.00 1.80 2.07 0.00 3.21 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 72 A 7.57 4.06 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 73 R 7.88 4.04 0.00 1.80 2.07 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 74 G 8.20 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.26 4.85 0.00 1.89 1.91 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 2.27 2.25 0.00 76 K 9.08 3.50 0.00 1.93 1.67 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.57 7.81 77 Y 9.28 3.97 0.00 3.11 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