NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5124 8.3049 120.3322 55.1034 33.4500 174.6163 2 K 4.3105 8.4312 120.7029 54.7771 33.7321 175.3801 3 K 4.6430 9.0970 122.5309 56.7044 34.6742 175.1954 4 Y 4.9210 8.9741 119.9829 56.4407 41.9250 174.4220 5 T 5.0541 8.7332 117.4734 60.1919 70.8454 172.6249 6 C 3.4711 8.9368 129.3201 58.9798 31.9427 174.2067 7 T 4.0841 8.5346 117.0650 62.9511 69.1506 176.0743 8 V 3.8212 7.6677 122.1768 65.0769 31.8339 176.0775 9 C 4.6586 8.1570 110.3107 57.2680 31.0751 174.6648 10 G 3.9192 8.5048 108.8584 44.5333 0.0000 172.9782 11 Y 4.2412 7.8937 120.8544 58.6069 39.7985 174.9203 12 I 4.7400 7.5584 126.2312 59.5663 38.9379 174.4174 13 Y 4.3177 9.3630 130.0021 57.1208 40.1047 173.4768 14 N 4.9582 7.9733 126.2806 50.9406 40.5118 173.5211 15 P 4.1053 0.0000 0.0000 65.5633 31.7658 178.4162 16 E 4.0651 8.2499 118.2488 59.0072 29.4523 177.7231 17 D 4.4640 7.9234 117.3842 53.8995 41.9852 178.2181 18 G 3.9560 7.7783 106.8034 45.5284 0.0000 172.7181 19 D 4.9896 8.5756 111.4453 51.8812 41.5134 175.1767 20 P 4.4390 0.0000 0.0000 65.6987 31.9685 179.3584 21 D 4.4223 8.2683 117.5851 56.5160 40.8466 176.6140 22 N 4.8819 8.3246 115.2071 52.9685 38.8451 175.4049 23 G 3.7862 8.4279 105.3500 45.6175 0.0000 174.2142 24 V 4.0702 7.4694 119.8180 60.7185 31.3815 175.0294 25 N 4.8611 8.3226 125.0074 51.8288 39.3801 173.3094 26 P 4.2563 0.0000 0.0000 64.5715 31.8056 177.0157 27 G 3.8732 9.2063 109.9650 45.9278 0.0000 173.2497 28 T 4.2805 7.3104 115.7823 61.7871 69.2582 174.5419 29 D 4.5413 8.5161 126.4384 53.8967 42.3214 176.4437 30 F 3.4556 9.0559 127.8989 60.9621 39.3202 177.4285 31 K 3.8090 7.9212 118.0168 59.5045 32.3003 177.1238 32 D 4.4801 7.5197 117.0770 54.3813 41.2620 176.8063 33 I 3.4484 6.6602 121.4068 60.0073 37.6449 174.2650 34 P 4.1735 0.0000 0.0000 63.2163 31.5690 176.8156 35 D 4.4993 8.6020 120.8188 55.6325 40.8433 176.4798 36 D 4.7235 7.7556 117.8218 52.5351 40.1749 176.5317 37 W 4.2072 8.0075 130.6810 57.7035 31.2157 175.3200 38 V 4.2546 6.8634 116.4852 58.6979 34.8661 175.0754 39 C 3.5669 8.5787 122.4059 59.0526 31.6050 173.2475 40 P 4.0681 0.0000 0.0000 65.0316 31.3182 177.5805 41 L 4.2487 7.5986 117.1755 56.6175 42.1125 177.2364 42 C 4.4538 7.9599 109.2607 57.3881 30.8394 174.6549 43 G 3.7773 8.0696 108.6365 45.5500 0.0000 174.0905 44 V 3.9178 7.2961 113.0876 60.2951 32.7833 175.9145 45 G 4.2111 8.2808 110.6477 44.5216 0.0000 174.9282 46 K 4.2259 8.7661 118.4085 59.3939 32.0401 179.0599 47 D 4.6613 8.2792 116.5579 55.3930 39.6121 176.6331 48 Q 4.5367 8.5003 119.0819 55.9461 28.9214 174.7753 49 F 5.3143 8.4093 117.0907 56.4070 41.1508 175.1673 50 E 4.8975 8.9652 119.1844 54.4190 34.1952 174.8710 51 E 3.0243 8.6460 122.0257 56.6962 30.1903 176.8277 52 V 3.7400 8.0523 125.0161 62.2125 32.2054 175.6344 53 E 4.1724 8.5747 127.8137 56.2532 29.6992 175.1885 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 M 8.30 4.51 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 2 K 8.43 4.31 0.00 1.94 1.63 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 3 K 9.10 4.64 0.00 1.67 1.71 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.45 7.81 4 Y 8.97 4.92 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 5.05 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 1.16 0.00 0.00 6 C 8.94 3.47 0.00 2.27 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.08 4.21 0.00 0.00 0.00 0.00 0.00 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 8 V 7.67 3.82 2.03 0.00 0.00 0.00 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 0.91 0.00 0.00 9 C 8.16 4.66 0.00 3.07 2.96 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 10 G 8.50 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 11 Y 7.89 4.24 0.00 3.15 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 12 I 7.56 4.74 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.83 0.00 0.00 13 Y 9.36 4.32 0.00 3.58 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 14 N 7.97 4.96 0.00 2.63 2.57 0.00 0.00 6.92 7.71 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 15 P 0.00 4.11 0.00 2.29 2.53 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 16 E 8.25 4.07 0.00 2.09 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 2.32 2.26 0.00 17 D 7.92 4.46 0.00 2.69 2.71 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 18 G 7.78 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 0.00 0.00 0.00 19 D 8.58 4.99 0.00 3.19 2.79 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 20 P 0.00 4.44 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.27 4.42 0.00 2.76 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 22 N 8.32 4.88 0.00 3.13 2.94 0.00 0.00 7.10 7.79 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 23 G 8.43 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 0.00 0.00 0.00 24 V 7.47 4.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.58 0.00 0.00 25 N 8.32 4.86 0.00 2.87 2.72 0.00 0.00 7.05 8.03 0.00 0.00 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 P 0.00 4.26 0.00 2.03 2.20 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 27 G 9.21 3.87 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 0.00 0.00 0.00 28 T 7.31 4.28 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 1.07 0.00 0.00 29 D 8.52 4.54 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.06 3.46 0.00 2.53 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 0.00 0.00 0.00 0.00 31 K 7.92 3.81 0.00 1.85 1.93 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.41 7.81 32 D 7.52 4.48 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.66 3.45 0.94 0.00 0.00 -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 0.53 -0.16 -0.09 0.00 0.00 34 P 0.00 4.17 0.00 2.14 1.94 0.00 3.37 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 35 D 8.60 4.50 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 4.72 0.00 2.77 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 37 W 8.01 4.21 0.00 3.15 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 38 V 6.86 4.25 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 0.69 0.00 0.00 0.64 0.00 0.00 39 C 8.58 3.57 0.00 3.10 2.74 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 40 P 0.00 4.07 0.00 1.80 1.97 0.00 2.66 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 2.26 0.00 41 L 7.60 4.25 0.00 1.62 1.71 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.96 4.45 0.00 3.02 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.30 3.92 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 0.68 0.00 0.00 0.96 0.00 0.00 45 G 8.28 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 4.23 0.00 1.88 1.96 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.55 7.81 47 D 8.28 4.66 0.00 2.87 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 48 Q 8.50 4.54 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 49 F 8.41 5.31 0.00 3.24 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 50 E 8.97 4.90 0.00 1.87 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 51 E 8.65 3.02 0.00 1.60 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 52 V 8.05 3.74 2.06 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 0.63 0.00 0.00 0.85 0.00 0.00 53 E 8.57 4.17 0.00 1.84 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 0.00 2.14 2.27 0.00