NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2404 8.2544 120.8597 55.6199 32.0067 175.2302 9 V 4.1449 7.3761 115.6466 59.5355 33.4553 173.2236 10 N 4.3892 9.3547 126.1021 53.6228 40.0844 175.6309 11 V 3.6985 8.5500 119.2526 63.8115 31.7779 176.6230 12 Q 4.6282 9.1424 117.0767 55.6237 29.8795 176.3018 13 R 4.6349 8.1880 118.5186 52.3580 30.5859 173.8369 14 P 4.2046 0.0000 0.0000 65.8604 31.3192 178.1338 15 L 4.1188 7.8652 117.1034 56.5653 41.6488 178.2278 16 D 4.5019 8.3466 119.2039 56.3377 40.4680 178.0838 17 A 4.0865 7.6895 120.9760 54.5876 18.5041 179.1853 18 L 3.9881 7.7945 118.0659 57.3903 41.2256 179.4704 19 G 3.9257 7.8721 105.2105 48.0794 0.0000 175.0208 20 N 4.6416 8.5470 117.3058 54.7603 38.8251 176.5127 21 S 4.6951 7.8564 115.9688 56.9299 63.5801 173.6292 22 L 4.2444 7.1217 121.6568 56.4831 41.7571 176.9456 23 N 4.3621 9.6769 119.5163 53.9162 36.8902 173.9642 24 S 4.9575 7.8251 114.0788 55.7889 66.6823 171.9171 25 P 4.9868 0.0000 0.0000 63.0843 32.0760 176.2643 26 V 4.7737 9.0271 115.5895 60.0383 36.9115 173.8688 27 I 4.9731 8.6770 123.2111 59.6931 40.0142 174.7200 28 I 4.8206 9.0728 127.3235 59.2844 40.3390 174.2428 29 K 4.5223 8.5396 128.6739 54.5671 34.1773 175.2040 30 L 5.0402 8.7856 127.5625 52.6136 44.6699 176.3142 31 K 4.1560 8.8874 121.3738 58.1571 32.2868 177.9560 32 G 3.8501 8.7130 111.4159 44.8089 0.0000 173.7108 33 D 4.6217 7.8790 117.4567 53.7565 41.4073 174.1445 34 R 4.0757 7.6015 118.5064 57.4682 31.4349 174.5808 35 E 5.1754 8.4591 124.0570 54.5280 33.6029 174.0463 36 F 5.3190 9.3516 123.6073 55.8452 43.6843 174.1188 37 R 5.0805 8.9260 119.4204 54.5939 34.5440 174.8662 38 G 4.1190 8.2726 108.4210 46.2505 0.0000 171.6539 39 V 4.6192 7.9132 120.2919 61.3241 32.8641 175.0641 40 L 4.5803 8.7228 131.2680 55.4285 42.3130 177.1434 41 K 4.1785 8.7377 125.2139 57.1378 34.7402 176.1528 42 S 4.7333 7.8189 111.8012 57.8062 65.5275 173.9173 43 F 5.8497 8.1990 117.2150 57.3458 40.3640 172.2671 44 D 4.9774 8.4041 119.0745 50.9644 42.2596 176.2920 45 L 4.0948 8.3658 118.0789 58.7064 40.4626 177.5316 46 H 4.4847 8.2457 115.3010 56.2051 29.1261 176.0441 47 M 3.4690 8.2997 118.1823 55.7813 29.9167 176.4853 48 N 4.9516 8.4476 117.1539 53.6690 39.9333 174.1111 49 L 5.0391 8.8661 121.1012 54.8418 44.5990 174.0778 50 V 4.8581 8.7691 120.0560 61.1760 34.2400 174.3384 51 L 5.3109 8.8518 126.6869 53.0676 45.4682 175.1875 52 N 5.2638 8.8250 118.8737 51.5943 41.9908 174.0815 53 D 4.5930 8.5160 119.4087 55.4681 39.1899 173.9353 54 A 4.8153 8.1392 120.5208 51.7546 21.0888 177.9650 55 E 5.0724 9.4799 119.2385 54.6359 33.8576 174.3595 56 E 3.8620 9.2315 126.4903 54.9745 30.8865 175.1232 57 L 5.2692 8.1358 126.6993 53.4159 45.2294 176.0988 58 E 4.4652 9.1312 118.1765 57.0347 33.8212 175.6092 59 D 4.4051 9.9217 122.9854 55.2926 38.5946 174.8001 60 G 3.9190 8.4178 104.5642 45.6076 0.0000 173.7010 61 E 4.4609 8.5308 120.7656 54.1665 31.1803 175.6625 62 V 4.1875 8.2295 123.5259 62.9305 30.9232 175.5429 63 T 4.2948 8.4797 118.4412 62.3133 69.6240 174.8172 64 R 4.4632 7.1105 119.9903 55.9221 33.2872 172.9709 65 R 5.2639 8.7737 122.8891 54.4673 33.7936 174.9816 66 L 4.6470 8.9283 121.8448 52.9530 45.4100 177.4245 67 G 3.8006 9.0374 111.5401 49.7016 0.0000 172.9048 68 T 5.3706 7.6641 112.1339 60.7566 70.5905 173.3920 69 V 4.4803 8.7601 125.6439 60.3108 35.3048 172.6985 70 L 4.8910 8.4308 125.3081 53.6586 43.5488 175.1475 71 I 4.3737 8.7642 127.7876 59.2745 39.7212 175.2079 72 R 4.4383 8.5203 127.4179 55.6185 30.8448 177.2550 73 G 3.9302 9.4060 114.9185 48.1087 0.0000 174.9197 74 D 4.3677 8.1174 118.0138 56.5027 41.4724 176.2717 75 N 4.6984 7.9062 115.2417 53.5184 39.1623 174.7387 76 I 4.2245 7.5109 120.4559 61.0342 38.1007 175.5855 77 V 4.2108 8.7837 126.0581 64.8238 32.0882 175.2170 78 Y 5.0122 7.1347 116.0116 56.0731 41.4336 172.9006 79 I 5.0869 8.4515 119.8504 59.6320 41.0837 174.9795 80 S 4.6075 9.4322 121.3327 55.7106 64.9086 172.2707 81 P 4.4384 0.0000 0.0000 62.8324 31.1284 176.5553 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 8 R 8.25 4.24 0.00 1.79 2.02 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 9 V 7.38 4.14 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 0.83 0.00 0.00 0.92 0.00 0.00 10 N 9.35 4.39 0.00 2.77 2.69 0.00 0.00 7.13 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 11 V 8.55 3.70 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 9.14 4.63 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.16 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 13 R 8.19 4.63 0.00 1.92 1.83 0.00 3.17 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 14 P 0.00 4.20 0.00 2.25 2.32 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 15 L 7.87 4.12 0.00 1.81 1.86 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.35 4.50 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.09 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 18 L 7.79 3.99 0.00 0.50 0.27 0.38 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.87 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 0.00 0.00 0.00 20 N 8.55 4.64 0.00 2.85 2.89 0.00 0.00 6.93 7.14 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 21 S 7.86 4.70 0.00 3.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.12 4.24 0.00 1.74 1.68 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.68 4.36 0.00 2.86 2.96 0.00 0.00 6.82 6.42 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 24 S 7.83 4.96 0.00 3.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.99 0.00 1.95 2.00 0.00 3.65 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 2.04 2.13 0.00 26 V 9.03 4.77 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 0.95 0.00 0.00 0.99 0.00 0.00 27 I 8.68 4.97 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 1.00 0.00 0.00 28 I 9.07 4.82 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.11 0.88 0.00 0.00 29 K 8.54 4.52 0.00 0.79 0.74 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.03 1.17 7.81 30 L 8.79 5.04 0.00 1.68 1.64 1.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.89 4.16 0.00 1.70 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.52 7.81 32 G 8.71 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 0.00 0.00 0.00 33 D 7.88 4.62 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 4.08 0.00 1.93 1.80 0.00 3.30 0.00 0.00 3.58 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 35 E 8.46 5.18 0.00 1.96 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 36 F 9.35 5.32 0.00 2.93 2.85 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 37 R 8.93 5.08 0.00 1.75 1.79 0.00 3.19 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 8.27 4.12 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 0.00 0.00 0.00 39 V 7.91 4.62 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 0.89 0.00 0.00 0.95 0.00 0.00 40 L 8.72 4.58 0.00 1.85 1.72 1.03 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.74 4.18 0.00 1.65 1.82 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.65 7.81 42 S 7.82 4.73 0.00 3.83 3.63 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 43 F 8.20 5.85 0.00 3.08 2.95 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 0.00 0.00 0.00 44 D 8.40 4.98 0.00 2.85 2.78 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 45 L 8.37 4.09 0.00 1.75 1.82 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.25 4.48 0.00 3.37 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.30 3.47 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 48 N 8.45 4.95 0.00 2.98 2.75 0.00 0.00 6.55 6.35 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 49 L 8.87 5.04 0.00 1.93 1.81 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.77 4.86 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 1.04 0.00 0.00 0.92 0.00 0.00 51 L 8.85 5.31 0.00 1.53 1.49 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.82 5.26 0.00 2.71 2.69 0.00 0.00 7.12 7.47 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 53 D 8.52 4.59 0.00 2.76 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 54 A 8.14 4.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.48 5.07 0.00 1.84 1.79 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 2.24 2.26 0.00 56 E 9.23 3.86 0.00 1.34 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.59 0.00 57 L 8.14 5.27 0.00 1.39 1.47 0.87 0.72 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 58 E 9.13 4.47 0.00 1.94 1.76 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 2.17 2.16 0.00 59 D 9.92 4.41 0.00 2.77 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 60 G 8.42 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 61 E 8.53 4.46 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 62 V 8.23 4.19 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 0.84 0.00 0.00 0.95 0.00 0.00 63 T 8.48 4.29 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 1.25 0.00 0.00 64 R 7.11 4.46 0.00 1.83 1.72 0.00 3.13 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 65 R 8.77 5.26 0.00 1.70 1.80 0.00 3.21 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 66 L 8.93 4.65 0.00 1.62 1.54 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.04 3.80 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 0.00 0.00 0.00 68 T 7.66 5.37 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 1.20 0.00 0.00 69 V 8.76 4.48 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.71 0.00 0.00 70 L 8.43 4.89 0.00 1.61 1.56 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.76 4.37 1.75 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.22 0.81 0.00 0.00 72 R 8.52 4.44 0.00 1.82 1.79 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 73 G 9.41 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 0.00 0.00 0.00 74 D 8.12 4.37 0.00 2.63 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 75 N 7.91 4.70 0.00 2.85 2.82 0.00 0.00 6.84 7.31 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 76 I 7.51 4.22 1.98 0.00 0.00 0.84 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 0.46 0.91 0.00 0.00 77 V 8.78 4.21 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 0.95 0.00 0.00 0.93 0.00 0.00 78 Y 7.13 5.01 0.00 3.04 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 79 I 8.45 5.09 1.88 0.00 0.00 0.81 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 0.67 0.90 0.00 0.00 80 S 9.43 4.61 0.00 3.93 3.82 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 81 P 0.00 4.44 0.00 2.07 1.93 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00