NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3088 8.1133 120.8598 56.6535 32.2617 177.5516 2 M 3.8817 7.9949 117.3250 57.4423 31.8082 177.0195 3 K 4.1906 8.1299 120.8939 58.9150 32.8664 178.0649 4 Q 3.9636 8.0686 119.4318 59.2485 28.8981 178.3369 5 I 3.7120 7.7407 120.6895 64.4528 36.9381 178.2875 6 E 3.9546 8.3219 119.4352 59.5357 29.2935 179.1589 7 D 4.4360 8.4720 119.3291 57.1920 40.7951 178.8138 8 K 3.9383 8.1390 120.0922 59.4827 32.1535 178.7390 9 I 3.6643 7.9421 120.3116 64.5565 37.0753 177.9726 10 E 4.1061 8.2453 119.8765 59.3466 29.4515 178.7180 11 E 3.9871 8.2496 118.6555 59.4304 29.4390 179.4363 12 I 3.7252 8.0099 120.0089 64.3676 37.1868 178.2466 13 E 3.9379 8.5118 119.8585 59.5784 29.2891 179.4887 14 S 4.1137 8.2145 113.0570 61.3076 62.3809 176.3656 15 K 4.0193 8.2400 121.3354 59.3328 31.7273 179.1660 16 Q 3.9377 8.3599 120.2474 59.0129 28.9141 178.1591 17 K 3.9339 8.2028 120.7552 59.2398 32.0941 178.7815 18 K 3.9218 8.0048 120.0563 59.4845 32.0741 178.7601 19 I 3.6827 8.0584 120.4853 64.6375 37.0202 178.2973 20 E 3.9733 8.3699 119.2835 59.4185 29.2891 179.1827 21 N 4.3666 8.4374 116.7883 56.2357 38.5196 177.3398 22 E 3.9536 8.5061 120.3465 59.5056 29.5331 179.3882 23 I 3.6570 8.1124 119.9398 64.3853 37.0628 178.3960 24 A 3.9666 8.0348 121.6454 55.0196 18.2072 179.7158 25 R 3.8343 7.9741 117.2693 59.5970 30.0874 178.8448 26 I 3.7151 7.9622 119.7939 64.3545 37.0808 178.6250 27 K 3.9381 8.2343 119.4232 59.2257 31.8065 179.6657 28 K 3.9122 7.8547 118.6890 59.2021 31.9235 179.1967 29 L 3.9356 7.9817 120.7162 57.9650 41.9087 178.8157 30 L 3.8583 8.2007 120.7872 58.0125 42.0291 178.6754 31 Q 3.5107 7.9949 119.5914 58.9189 28.8028 178.2576 32 L 4.0415 7.7288 120.2431 57.9345 41.5784 179.5579 33 T 3.8572 8.0756 109.9853 64.7422 68.5221 176.5547 34 V 3.5410 7.8549 121.3135 65.6487 31.5310 178.1208 35 W 4.5761 8.1878 118.7266 59.6885 28.8350 178.7684 36 G 3.7030 8.6774 106.2277 47.9097 0.0000 175.8447 37 I 3.7701 8.1574 122.6041 64.0978 37.1591 178.6906 38 K 4.3073 8.3526 120.8995 58.9679 31.8566 179.4003 39 Q 4.0258 8.3296 118.3662 59.0106 28.4438 178.9198 40 L 4.0045 7.7318 118.6765 57.8401 41.5172 179.1286 41 Q 4.1429 8.4976 118.1774 58.9774 28.6587 178.8958 42 A 4.0998 8.0848 121.5331 55.2490 18.2196 179.6934 43 R 4.2634 7.5972 111.1658 57.2880 29.8050 177.3284 44 I 4.6136 7.4079 116.4976 60.6366 39.7366 175.0972 45 L 4.1334 8.5095 128.7635 55.3324 41.8212 176.4501 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 4.31 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 2 M 7.99 3.88 0.00 2.18 2.10 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 2.69 2.65 0.00 3 K 8.13 4.19 0.00 1.86 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.41 7.81 4 Q 8.07 3.96 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 I 7.74 3.71 2.05 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 0.55 0.91 0.00 0.00 6 E 8.32 3.95 0.00 2.15 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 2.47 0.00 7 D 8.47 4.44 0.00 2.80 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 8.14 3.94 0.00 1.88 1.93 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 I 7.94 3.66 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 1.40 0.62 0.91 0.00 0.00 10 E 8.25 4.11 0.00 2.16 2.15 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 2.30 2.35 0.00 11 E 8.25 3.99 0.00 2.20 1.98 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 2.54 2.49 0.00 12 I 8.01 3.73 2.02 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 0.70 0.91 0.00 0.00 13 E 8.51 3.94 0.00 2.13 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 2.45 0.00 14 S 8.21 4.11 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.02 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.67 7.81 16 Q 8.36 3.94 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 17 K 8.20 3.93 0.00 1.91 1.93 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 18 K 8.00 3.92 0.00 1.92 1.95 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 19 I 8.06 3.68 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 0.66 0.90 0.00 0.00 20 E 8.37 3.97 0.00 2.16 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 2.32 2.58 0.00 21 N 8.44 4.37 0.00 2.87 2.86 0.00 0.00 7.01 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.51 3.95 0.00 2.08 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 2.52 2.49 0.00 23 I 8.11 3.66 2.01 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 1.44 0.68 0.89 0.00 0.00 24 A 8.03 3.97 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 25 R 7.97 3.83 0.00 1.91 2.08 0.00 3.09 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 1.61 1.66 0.00 26 I 7.96 3.72 1.99 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 1.50 0.62 0.88 0.00 0.00 27 K 8.23 3.94 0.00 1.90 1.80 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.51 7.81 28 K 7.85 3.91 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 29 L 7.98 3.94 0.00 1.84 1.62 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.20 3.86 0.00 1.81 1.75 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.99 3.51 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 32 L 7.73 4.04 0.00 1.90 1.74 0.95 0.78 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 33 T 8.08 3.86 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 1.26 0.00 0.00 34 V 7.85 3.54 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 1.08 0.00 0.00 0.91 0.00 0.00 35 W 8.19 4.58 0.00 3.60 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 36 G 8.68 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.77 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 1.54 0.77 0.93 0.00 0.00 38 K 8.35 4.31 0.00 2.06 1.93 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.26 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.52 1.57 7.81 39 Q 8.33 4.03 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 40 L 7.73 4.00 0.00 1.81 1.74 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.50 4.14 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 42 A 8.08 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.26 0.00 1.83 1.98 0.00 3.11 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 44 I 7.41 4.61 1.88 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 1.19 0.60 0.91 0.00 0.00 45 L 8.51 4.13 0.00 1.67 1.55 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00