NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6692 8.3649 120.5312 53.9940 43.2801 175.9565 2 R 4.5035 7.5215 115.4794 54.3491 30.3914 173.7423 3 D 4.0595 7.9794 119.2169 54.8418 43.3436 172.7876 4 S 3.5883 7.9680 125.8201 57.9603 61.1386 173.0345 5 C 4.4998 8.4735 127.8461 58.2678 43.9049 175.3699 6 V 4.1544 7.8721 117.8806 64.9295 30.9548 175.5931 7 D 5.0155 7.5979 117.0790 53.7888 41.6459 175.9664 8 K 4.3241 8.5955 117.4247 57.0015 34.0543 175.7771 9 S 4.7001 7.8206 111.5880 55.9820 63.8844 174.6331 10 R 4.1129 8.4275 127.8351 58.3893 30.0814 174.7123 11 C 4.2676 7.9384 115.0014 56.4967 45.6785 173.1971 12 A 4.2644 6.8550 124.7351 50.3041 20.5114 177.5422 13 K 3.0623 8.6556 117.9983 58.0963 31.9879 176.5011 14 Y 5.0121 7.5370 115.5788 57.5162 40.3081 172.9599 15 G 4.1899 7.6436 105.3139 44.8673 0.0000 173.9719 16 Y 4.6727 8.5967 125.3163 56.1592 40.3283 174.9047 17 Y 4.9028 8.0262 127.0850 55.6679 40.0259 174.4387 18 Q 4.1155 9.0627 129.7690 59.3041 28.8895 178.2020 19 E 3.6817 7.0863 119.6638 59.1620 29.7412 179.0633 20 C 4.2587 8.1210 118.6572 59.8205 39.1911 175.3579 21 Q 3.8958 8.0356 118.7527 59.3970 27.6416 178.1951 22 D 4.2531 7.9375 119.1141 57.3751 41.6104 176.9007 23 C 4.2889 8.0777 118.8732 59.7633 43.6268 174.2792 24 C 4.0710 8.1645 119.6321 60.0582 43.0360 175.7921 25 K 3.9059 7.7047 120.5673 58.9443 31.7397 177.8006 26 N 4.4494 8.0761 116.0159 55.7916 38.8918 176.6433 27 A 4.2757 8.0692 122.3332 53.0692 18.9297 179.0765 28 G 4.8222 6.9327 119.4780 46.6237 0.0000 171.6580 29 H 4.7412 7.3728 120.0528 54.9358 31.3480 174.0447 30 N 4.7154 8.9405 117.0803 54.6517 40.7496 175.0636 31 G 4.0353 7.3740 105.6490 46.9791 0.0000 169.9306 32 G 4.3074 7.9289 108.7692 45.7264 0.0000 171.6633 33 T 4.6045 8.1119 112.8738 60.5809 71.9302 172.8122 34 C 5.1809 8.8821 125.3414 55.5640 42.9543 172.4515 35 M 4.4777 8.8542 125.3312 53.2969 34.1138 174.3616 36 F 3.2691 9.3039 128.4160 59.2109 38.0644 175.3221 37 F 3.9873 7.9383 113.7045 58.0052 37.5937 175.4561 38 K 4.4134 7.7637 121.1956 54.7466 33.6029 174.6148 39 C 4.8510 8.6921 125.0291 55.6533 45.2682 172.0921 40 K 4.8349 8.6333 127.6908 55.0290 35.0031 174.8912 41 C 5.2612 8.6538 120.5182 54.9708 42.8583 173.9551 42 A 4.1621 8.0819 121.6485 53.0247 18.9410 176.0485 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 D 8.36 4.67 0.00 2.67 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.50 0.00 1.82 1.85 0.00 3.22 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 3 D 7.98 4.06 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 3.59 0.00 4.07 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.47 4.50 0.00 3.01 3.08 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 6 V 7.87 4.15 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 0.72 0.00 0.00 0.97 0.00 0.00 7 D 7.60 5.02 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.60 4.32 0.00 1.66 1.74 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 9 S 7.82 4.70 0.00 3.87 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 10 R 8.43 4.11 0.00 1.79 1.90 0.00 3.29 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 11 C 7.94 4.27 0.00 2.95 2.89 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 12 A 6.86 4.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 3.06 0.00 1.46 0.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.76 7.81 14 Y 7.54 5.01 0.00 3.02 2.93 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 15 G 7.64 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.60 4.67 0.00 3.04 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 17 Y 8.03 4.90 0.00 2.99 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 18 Q 9.06 4.12 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 19 E 7.09 3.68 0.00 1.16 1.62 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 2.27 2.14 0.00 20 C 8.12 4.26 0.00 3.23 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 21 Q 8.04 3.90 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 22 D 7.94 4.25 0.00 2.81 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 23 C 8.08 4.29 0.00 3.23 3.12 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 24 C 8.16 4.07 0.00 3.07 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 25 K 7.70 3.91 0.00 2.00 2.08 0.00 1.71 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.33 7.81 26 N 8.08 4.45 0.00 3.07 2.84 0.00 0.00 7.19 7.44 0.00 0.00 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 A 8.07 4.28 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 28 G 6.93 4.82 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 0.00 0.00 0.00 29 H 7.37 4.74 0.00 3.14 3.07 0.00 5.58 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.94 4.72 0.00 2.70 2.85 0.00 0.00 6.60 7.67 0.00 0.00 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 G 7.37 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.93 4.31 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 0.00 0.00 0.00 33 T 8.11 4.60 4.19 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 0.00 0.00 0.00 1.20 0.00 0.00 34 C 8.88 5.18 0.00 3.15 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 35 M 8.85 4.48 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 36 F 9.30 3.27 0.00 2.91 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 37 F 7.94 3.99 0.00 2.83 2.76 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 38 K 7.76 4.41 0.00 1.99 1.75 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.80 7.81 39 C 8.69 4.85 0.00 3.07 3.04 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 0.00 0.00 0.00 40 K 8.63 4.83 0.00 1.91 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.39 7.81 41 C 8.65 5.26 0.00 2.85 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 42 A 8.08 4.16 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