NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2981 8.1133 120.8598 56.1957 32.3006 177.0650 2 M 4.0542 7.8264 117.0777 55.6062 32.1267 176.8153 3 K 4.0551 8.7508 120.2660 59.8781 33.4096 178.9574 4 Q 3.9639 7.9701 118.7837 58.9346 28.8961 178.5671 5 I 3.7981 7.7584 120.7895 64.2952 37.2268 178.2971 6 E 4.1028 8.3265 119.3143 58.9401 29.3008 179.0378 7 D 4.3634 8.1991 119.6711 57.1720 40.8322 178.5683 8 K 3.9990 7.9725 119.7122 59.3901 32.0602 178.9945 9 I 3.7071 7.7138 119.9779 64.4268 37.0439 178.2412 10 E 3.9643 8.0972 118.9695 59.3839 29.2298 179.3353 11 E 4.0209 8.1969 118.6572 59.4130 29.5783 179.4007 12 I 3.7894 8.0240 120.0343 64.1578 37.0199 178.4038 13 E 3.9813 8.5135 120.1523 59.4330 29.4218 179.5325 14 S 4.1010 8.1366 114.3508 61.3180 62.9528 176.4652 15 K 3.9750 8.0943 123.3002 59.0421 31.8422 178.6498 16 Q 3.9330 8.1549 120.0040 59.1448 28.9899 178.3321 17 K 4.2923 8.1986 121.0127 58.8963 32.0803 179.4755 18 K 3.9841 7.9388 118.4977 59.4028 31.8862 179.4545 19 I 3.7056 7.8975 120.2096 64.5686 36.9505 178.3655 20 E 3.9655 8.4813 119.6841 59.4017 29.2908 179.0187 21 N 4.3136 8.1922 117.2333 56.5135 38.9254 176.6804 22 E 3.9449 8.3103 120.8514 59.2305 29.7272 178.6606 23 I 3.6597 8.1326 120.0759 64.4626 37.1835 178.2399 24 A 3.9973 7.9787 121.3617 55.1902 18.2147 179.9451 25 R 3.8707 7.8861 116.1140 59.3982 30.0553 179.2637 26 I 3.7247 8.0007 119.8044 64.4470 37.1283 178.6647 27 K 3.9855 8.2545 119.3351 59.1571 31.8159 179.4303 28 K 3.9290 8.0237 119.9672 59.4321 32.1703 178.7137 29 L 3.9485 7.9878 120.6696 58.0539 41.9984 178.5947 30 L 3.9827 8.3097 120.6905 58.2870 41.9907 179.0395 31 Q 4.0597 8.1435 118.0612 58.9260 28.5934 178.6931 32 L 4.1149 7.9688 120.3967 57.9375 41.6505 179.6639 33 T 3.9639 8.2253 109.9844 64.6568 68.6315 176.8712 34 V 3.5967 8.0599 121.1605 65.5202 31.5290 177.7203 35 W 4.1244 8.4742 128.2424 60.5247 30.4796 178.1576 36 G 3.7768 8.7064 105.7484 47.8847 0.0000 175.7847 37 I 3.6859 7.9211 122.2196 63.9908 37.1465 178.4594 38 K 3.8092 8.1105 120.6449 59.3252 31.8843 178.7139 39 Q 3.4978 7.8417 120.1820 58.8724 29.0439 177.9778 40 L 3.8867 7.7987 120.0696 57.8977 41.6242 179.2854 41 Q 3.9809 8.1031 119.0901 59.2663 28.7592 178.3392 42 A 3.9457 7.7262 120.4925 54.8825 18.5607 178.9354 43 R 4.0521 8.0911 114.8672 57.7052 30.2844 177.2751 44 I 4.2682 6.9447 116.6764 63.2531 38.8570 175.3196 45 L 4.1410 8.0741 123.4005 55.0749 41.4207 176.7979 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 R 8.11 4.30 0.00 1.90 1.99 0.00 3.18 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 2 M 7.83 4.05 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 3 K 8.75 4.06 0.00 1.98 2.06 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 Q 7.97 3.96 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 5 I 7.76 3.80 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.22 0.91 0.00 0.00 6 E 8.33 4.10 0.00 2.23 1.99 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 2.33 2.44 0.00 7 D 8.20 4.36 0.00 2.98 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 8 K 7.97 4.00 0.00 1.99 1.90 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 I 7.71 3.71 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 0.91 0.00 0.00 10 E 8.10 3.96 0.00 2.17 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 0.00 2.51 2.49 0.00 11 E 8.20 4.02 0.00 2.18 1.99 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 2.33 2.53 0.00 12 I 8.02 3.79 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.91 0.00 0.00 13 E 8.51 3.98 0.00 2.27 1.99 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 2.33 2.39 0.00 14 S 8.14 4.10 0.00 4.06 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 15 K 8.09 3.98 0.00 1.91 1.84 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 Q 8.15 3.93 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 K 8.20 4.29 0.00 2.11 1.85 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.39 7.81 18 K 7.94 3.98 0.00 1.99 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.62 7.81 19 I 7.90 3.71 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.91 0.00 0.00 20 E 8.48 3.97 0.00 2.12 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 0.00 2.33 2.44 0.00 21 N 8.19 4.31 0.00 2.98 2.93 0.00 0.00 6.82 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 22 E 8.31 3.94 0.00 2.23 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 0.00 2.30 2.39 0.00 23 I 8.13 3.66 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.91 0.00 0.00 24 A 7.98 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 3.87 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 26 I 8.00 3.72 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.92 0.00 0.00 27 K 8.25 3.99 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 28 K 8.02 3.93 0.00 1.84 1.95 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 29 L 7.99 3.95 0.00 1.81 1.65 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.31 3.98 0.00 1.92 1.89 0.94 0.86 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 31 Q 8.14 4.06 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 32 L 7.97 4.11 0.00 1.88 1.72 0.88 0.55 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 33 T 8.23 3.96 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 1.31 0.00 0.00 34 V 8.06 3.60 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 1.09 0.00 0.00 1.03 0.00 0.00 35 W 8.47 4.12 0.00 3.54 3.35 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 0.00 0.00 0.00 0.00 36 G 8.71 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 37 I 7.92 3.69 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.89 0.00 0.00 38 K 8.11 3.81 0.00 1.77 1.65 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.33 7.81 39 Q 7.84 3.50 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 40 L 7.80 3.89 0.00 1.81 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.10 3.98 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 42 A 7.73 3.95 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 43 R 8.09 4.05 0.00 1.89 1.91 0.00 3.37 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 44 I 6.94 4.27 2.00 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 1.50 0.62 0.89 0.00 0.00 45 L 8.07 4.14 0.00 1.67 1.57 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00