NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.1744 8.1233 123.5788 51.2447 20.2203 177.3275 6 D 4.3494 8.2918 114.7562 54.4046 38.5250 172.4156 7 T 4.2320 7.9923 110.0071 60.3651 70.5539 172.5322 8 P 4.4004 0.0000 0.0000 62.7841 32.0251 175.7561 9 T 4.4542 8.1458 115.3798 59.8495 68.9379 174.0504 10 A 4.2264 8.6301 132.0226 52.4209 19.0013 177.2475 11 C 4.9590 8.5212 119.4524 55.1338 44.1133 173.9904 12 C 4.7629 8.2585 119.0487 55.4544 41.3833 174.0407 13 F 4.3873 8.4736 122.1926 57.3307 39.8700 175.6490 14 S 4.3981 7.3091 113.4613 57.1054 65.4015 173.0413 15 Y 5.0384 8.0152 119.1448 55.9424 40.7359 175.6621 16 T 4.0106 8.5546 117.4072 62.9703 67.7794 174.1333 17 S 4.7939 8.7145 121.1742 57.8666 63.7946 173.8288 18 R 4.3999 7.4234 117.0488 53.9317 31.6812 175.0378 19 Q 2.0000 7.9201 122.5798 55.2531 29.3303 175.5961 20 I 3.9044 7.2598 126.6020 59.9841 38.0876 174.0858 21 P 3.9941 0.0000 0.0000 62.7468 31.7094 177.0719 22 Q 3.3503 8.6206 124.4817 58.8944 29.0037 177.4073 23 N 4.5375 7.7735 111.7698 54.0793 37.3700 175.1081 24 F 4.9020 8.3105 118.3436 58.0535 39.7771 175.2025 25 I 4.5151 7.7026 122.6407 60.2953 37.7970 175.3243 26 A 4.5194 9.1770 127.7394 54.1959 19.9999 176.3982 27 A 4.8029 7.7731 114.8635 51.9368 22.8569 174.3775 28 Y 5.5023 8.6438 116.5808 56.2084 41.5515 174.0112 29 F 4.3357 8.3624 113.2320 55.6545 41.7076 172.8596 30 E 4.9873 8.6837 119.5537 55.2885 30.6390 176.5203 31 T 4.3186 8.7181 114.7745 61.1803 70.0888 174.4884 32 S 4.1937 8.7628 117.8613 58.5993 62.8575 175.3314 33 S 4.3650 8.5521 120.6832 60.2615 63.0841 175.3594 34 Q 4.1033 7.9589 120.5435 58.8372 28.6776 176.3991 35 C 4.3540 7.8445 114.7248 57.0413 40.6872 174.3021 36 S 4.0852 8.4710 116.5381 60.0986 63.1990 174.5094 37 K 4.6954 7.4248 118.6888 53.3401 35.2128 174.1087 38 P 4.4208 0.0000 0.0000 63.1680 32.1621 176.0944 39 G 4.2760 8.2223 105.3777 45.2778 0.0000 171.9962 40 V 4.6258 8.3147 123.2158 60.7398 34.4458 174.4503 41 I 4.5539 8.3815 128.8006 59.4489 39.2137 174.7547 42 F 5.1910 8.6133 127.1435 56.9310 40.6812 174.6158 43 L 5.2902 9.1182 126.3002 53.7797 43.7243 176.2982 44 T 4.8281 9.0104 117.5484 60.8050 70.2905 176.0729 45 K 3.9741 8.6517 121.3579 59.3071 32.0765 178.4911 46 R 4.3734 7.9070 115.9088 55.9468 29.9175 176.0836 47 S 3.9152 8.0582 112.6696 59.7451 60.5656 170.5836 48 R 4.5403 8.3331 120.6839 55.3762 31.6951 174.7379 49 Q 5.0885 8.6547 124.8476 54.6768 30.5647 175.1940 50 V 4.5172 8.6813 123.2664 61.0548 35.1829 173.8922 51 C 5.0218 9.0247 125.3811 57.1522 39.5650 172.4552 52 A 5.1853 9.1150 124.8451 49.9929 22.7562 174.8848 53 D 3.3700 8.1969 120.6394 52.4486 40.9931 175.4093 54 P 3.9658 0.0000 0.0000 65.1746 31.4285 177.7589 55 S 4.2519 8.1606 111.2613 59.1041 63.5905 174.6454 56 E 4.3031 7.7947 122.6761 55.5379 31.3996 177.0654 57 E 3.9390 8.6976 123.0419 59.2999 29.7074 179.7096 58 W 4.1674 8.2161 116.3022 59.4347 28.0423 178.4402 59 V 2.7290 6.4227 118.4089 65.6593 30.8940 177.9646 60 Q 3.9209 7.5982 117.3338 58.5890 28.4553 178.7025 61 K 3.9888 8.1277 120.9116 59.6277 32.2746 178.5275 62 Y 4.0777 8.3725 117.1473 61.0723 37.7866 178.8320 63 V 3.1403 7.9384 119.1025 65.7569 31.5106 177.8689 64 S 4.0076 8.2095 113.0798 61.7342 62.0691 175.8580 65 D 4.3268 8.4210 120.3145 57.1781 40.5569 178.5082 66 L 4.1172 7.6877 120.0555 58.3251 42.2706 178.6138 67 E 4.2062 8.0216 117.1451 58.6848 30.0543 178.1853 68 L 4.5584 7.8697 119.3426 53.7514 41.6020 176.9414 69 S 4.3247 7.7179 117.9019 59.2235 62.3470 176.0363 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 5 A 8.12 4.17 1.30 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 0.00 0.00 0.00 6 D 8.29 4.35 0.00 2.91 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 7 T 7.99 4.23 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 1.23 0.00 0.00 8 P 0.00 4.40 0.00 2.08 2.04 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 9 T 8.15 4.45 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 1.22 0.00 0.00 10 A 8.63 4.23 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 11 C 8.52 4.96 0.00 2.66 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.26 4.76 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.39 0.00 2.96 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 14 S 7.31 4.40 0.00 3.90 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 15 Y 8.02 5.04 0.00 2.98 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 16 T 8.55 4.01 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 17 S 8.71 4.79 0.00 4.05 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 18 R 7.42 4.40 0.00 1.75 1.82 0.00 3.06 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 19 Q 7.92 2.00 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.97 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 20 I 7.26 3.90 2.06 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 1.09 0.00 0.00 21 P 0.00 3.99 0.00 0.49 1.34 0.00 3.56 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 1.62 1.80 0.00 22 Q 8.62 3.35 0.00 1.42 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.01 0.00 0.00 0.00 0.00 0.00 1.96 1.16 0.00 23 N 7.77 4.54 0.00 2.90 2.85 0.00 0.00 5.97 7.43 0.00 0.00 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 F 8.31 4.90 0.00 3.16 3.02 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 0.00 0.00 0.00 25 I 7.70 4.52 1.77 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 1.28 0.55 1.01 0.00 0.00 26 A 9.18 4.52 1.36 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 0.00 0.00 27 A 7.77 4.80 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 28 Y 8.64 5.50 0.00 2.67 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 29 F 8.36 4.34 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.68 4.99 0.00 1.93 1.94 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 2.34 2.47 0.00 31 T 8.72 4.32 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 1.19 0.00 0.00 32 S 8.76 4.19 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.36 0.00 4.01 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 34 Q 7.96 4.10 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 35 C 7.84 4.35 0.00 2.98 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 36 S 8.47 4.09 0.00 4.02 4.06 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 37 K 7.42 4.70 0.00 1.66 1.78 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.34 7.81 38 P 0.00 4.42 0.00 2.01 1.96 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 39 G 8.22 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 0.00 0.00 0.00 0.00 40 V 8.31 4.63 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 0.15 0.00 0.00 0.71 0.00 0.00 41 I 8.38 4.55 0.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.49 0.66 0.00 0.00 42 F 8.61 5.19 0.00 3.17 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 43 L 9.12 5.29 0.00 1.86 1.67 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.01 4.83 4.29 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 1.34 0.00 0.00 45 K 8.65 3.97 0.00 1.78 1.92 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.51 1.47 7.81 46 R 7.91 4.37 0.00 1.76 1.91 0.00 3.40 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 47 S 8.06 3.92 0.00 4.04 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 48 R 8.33 4.54 0.00 1.89 1.84 0.00 3.12 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 49 Q 8.65 5.09 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 V 8.68 4.52 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 1.16 0.00 0.00 1.06 0.00 0.00 51 C 9.02 5.02 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 52 A 9.11 5.19 1.11 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 0.00 0.00 53 D 8.20 3.37 0.00 1.69 2.32 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 54 P 0.00 3.97 0.00 1.93 1.95 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 55 S 8.16 4.25 0.00 3.89 3.88 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 56 E 7.79 4.30 0.00 1.77 1.92 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 2.31 2.21 0.00 57 E 8.70 3.94 0.00 2.05 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 2.39 2.37 0.00 58 W 8.22 4.17 0.00 3.20 3.14 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 0.00 0.00 0.00 59 V 6.42 2.73 1.71 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 0.68 0.00 0.00 -0.53 0.00 0.00 60 Q 7.60 3.92 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 61 K 8.13 3.99 0.00 1.91 2.10 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.61 7.81 62 Y 8.37 4.08 0.00 3.10 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 63 V 7.94 3.14 1.87 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 0.44 0.00 0.00 0.54 0.00 0.00 64 S 8.21 4.01 0.00 3.95 3.96 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 65 D 8.42 4.33 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 66 L 7.69 4.12 0.00 1.91 1.83 1.04 1.26 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 67 E 8.02 4.21 0.00 2.14 2.04 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 2.52 2.57 0.00 68 L 7.87 4.56 0.00 1.60 1.67 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.72 4.32 0.00 3.91 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