NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4664 8.2993 120.0195 56.3687 34.8102 176.3869 3 P 4.6951 0.0000 0.0000 62.4878 29.9812 174.7334 4 S 4.6328 8.7029 110.3433 58.0627 63.2272 176.6083 5 E 3.9268 8.1629 121.2414 58.3020 29.5523 176.3408 6 M 4.4481 7.6952 117.4836 55.8169 32.3929 176.6104 7 R 4.2304 7.3029 118.0322 57.1351 31.0027 176.0410 8 N 4.8487 7.4710 115.2239 51.8556 38.8960 175.7688 9 L 4.1469 7.4622 119.1218 54.6422 43.1399 172.7657 10 Q 4.4854 8.0271 123.5751 54.8998 29.7063 174.8975 11 A 4.4264 8.9098 124.8393 51.4150 21.2093 176.1811 12 T 3.5498 8.1631 106.6354 64.3297 67.2421 170.7433 13 D 4.7930 7.7150 123.8721 56.3564 44.0004 178.3655 14 F 4.1860 8.2368 119.1221 59.3556 39.8050 176.2904 15 A 4.1342 8.2950 122.5953 55.2109 18.2652 177.9958 16 K 4.4482 7.6054 112.6782 56.0241 32.9038 177.2850 17 E 3.7631 8.1577 120.7742 58.8509 28.4717 179.0906 18 I 3.6750 7.4674 119.5428 64.1246 37.3260 177.2743 19 D 4.5037 7.7495 118.3945 56.1250 42.3238 177.3858 20 A 4.5867 6.8995 122.2381 51.5553 17.8399 179.4142 21 R 3.9620 9.0491 120.9138 61.6406 30.1204 176.0675 22 K 4.4786 7.0685 117.3884 54.3701 30.4647 174.6028 23 K 4.7066 7.6557 119.3784 57.1608 38.3266 176.4896 24 E 4.6059 7.9717 116.9673 56.0956 30.7813 175.9778 25 L 4.3121 7.9492 119.9413 55.3371 42.9357 176.9940 26 M 4.2063 7.6473 116.7721 57.2642 32.6317 176.2120 27 E 4.3530 7.0280 116.6899 55.6672 29.9636 176.7582 28 L 3.8715 6.9015 114.5362 55.2491 46.8614 175.9414 29 R 4.2427 7.0070 117.4147 56.2804 30.4582 175.9086 30 F 4.5972 6.9641 109.8744 57.0040 38.6215 174.4132 31 Q 4.1141 8.5656 119.8994 55.9678 29.0771 173.8043 32 A 3.5923 8.9817 130.1034 52.2932 18.4402 176.8068 33 A 4.0666 8.5483 120.0622 53.0743 15.7783 177.8504 34 A 4.7897 7.1583 118.8196 52.4662 20.7911 178.7740 35 G 4.7321 7.1447 114.2358 45.5934 0.0000 172.5722 36 Q 4.2615 8.6563 123.8761 57.0335 29.9510 177.1981 37 L 4.7307 7.6845 113.8733 53.6597 44.7261 176.6724 38 A 4.2306 8.2528 124.7044 52.8381 17.6104 179.4275 39 Q 4.5874 8.9222 121.4026 55.0367 29.6432 172.9148 40 P 4.2973 0.0000 0.0000 65.8481 32.0578 176.6243 41 H 4.3021 7.5835 117.9462 56.0676 28.8991 175.0697 42 R 5.5277 7.3455 135.0000 56.6618 33.1883 173.1897 43 V 4.3671 7.3056 117.3036 63.8004 32.5501 176.0609 44 R 4.3839 9.0129 116.7556 55.9505 30.2378 175.0815 45 Q 4.5168 7.5405 112.9984 55.1050 31.3733 174.2014 46 L 5.0742 7.0200 116.6167 54.7491 44.5708 174.2109 47 R 4.6243 7.7783 113.2939 56.3161 33.9173 176.0473 48 R 4.5913 7.8845 118.2276 55.8411 30.2479 177.3425 49 E 4.2178 8.1557 116.3292 58.6103 29.9904 177.6897 50 V 4.5383 6.8002 114.9637 59.9608 32.6923 172.5128 51 A 4.2628 8.1047 122.0018 52.1817 21.8603 177.5439 52 Q 3.7277 9.1326 118.1630 56.7470 27.6633 173.8265 53 L 4.7312 7.7866 115.3998 54.6813 43.0935 176.3420 54 N 4.9336 8.1269 115.2500 53.0423 39.2117 174.1794 55 T 4.4878 7.6767 107.5924 60.1918 71.3589 173.6466 56 V 3.4038 8.2658 112.2173 61.7438 29.0784 174.3053 57 K 4.5391 7.8095 114.5197 57.0029 36.1702 176.0482 58 A 4.6220 7.2652 120.6054 52.0219 19.1737 175.3660 59 E 4.9035 7.6744 115.8884 57.1606 31.3622 175.3870 60 L 4.2744 7.4650 125.7612 55.5683 46.0803 175.2809 61 A 4.3423 8.1090 117.4923 53.0754 18.3441 178.1934 62 R 3.9727 7.8383 114.8914 57.6418 30.2501 176.6283 63 K 4.0864 7.6815 117.5050 56.9341 32.8379 176.6197 64 G 3.8258 8.8557 113.8815 45.0308 0.0000 173.9106 65 E 4.7342 9.1514 115.0601 54.8403 34.2110 174.9443 66 Q 4.2398 8.5578 118.9006 56.3390 28.8022 175.3636 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 2 K 8.30 4.47 0.00 1.91 1.93 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 3 P 0.00 4.70 0.00 2.29 1.77 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 4 S 8.70 4.63 0.00 3.86 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 5 E 8.16 3.93 0.00 1.97 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 2.32 2.41 0.00 6 M 7.70 4.45 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 7 R 7.30 4.23 0.00 1.98 1.91 0.00 3.26 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 8 N 7.47 4.85 0.00 2.64 2.67 0.00 0.00 6.79 7.78 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 9 L 7.46 4.15 0.00 1.58 1.52 0.93 0.80 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 10 Q 8.03 4.49 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 11 A 8.91 4.43 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.55 4.27 0.00 0.00 0.00 0.00 0.00 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 13 D 7.72 4.79 0.00 2.79 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 14 F 8.24 4.19 0.00 3.06 3.03 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 0.00 0.00 0.00 0.00 15 A 8.30 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.61 4.45 0.00 1.79 1.67 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.29 7.81 17 E 8.16 3.76 0.00 1.16 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 0.00 0.00 0.00 1.95 1.67 0.00 18 I 7.47 3.67 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.90 0.00 0.00 19 D 7.75 4.50 0.00 2.59 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 20 A 6.90 4.59 0.99 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 0.00 0.00 21 R 9.05 3.96 0.00 1.81 1.98 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 22 K 7.07 4.48 0.00 1.64 1.96 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 23 K 7.66 4.71 0.00 1.94 1.75 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.61 7.81 24 E 7.97 4.61 0.00 2.08 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 2.20 0.00 25 L 7.95 4.31 0.00 1.85 1.56 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.65 4.21 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 27 E 7.03 4.35 0.00 1.83 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 0.00 2.17 2.34 0.00 28 L 6.90 3.87 0.00 1.52 1.52 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.01 4.24 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 30 F 6.96 4.60 0.00 3.02 3.07 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 0.00 0.00 0.00 31 Q 8.57 4.11 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 32 A 8.98 3.59 1.24 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 0.00 0.00 0.00 33 A 8.55 4.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.16 4.79 1.64 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 0.00 0.00 35 G 7.14 4.73 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 0.00 0.00 0.00 36 Q 8.66 4.26 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 37 L 7.68 4.73 0.00 1.62 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.25 4.23 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 39 Q 8.92 4.59 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 40 P 0.00 4.30 0.00 2.08 2.20 0.00 3.79 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 41 H 7.58 4.30 0.00 3.20 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.35 5.53 0.00 1.87 1.87 0.00 3.49 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 43 V 7.31 4.37 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 0.92 0.00 0.00 0.96 0.00 0.00 44 R 9.01 4.38 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 45 Q 7.54 4.52 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 46 L 7.02 5.07 0.00 1.64 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.78 4.62 0.00 1.79 1.87 0.00 3.37 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 48 R 7.88 4.59 0.00 1.87 1.85 0.00 3.23 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 49 E 8.16 4.22 0.00 2.15 2.11 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 2.28 2.26 0.00 50 V 6.80 4.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.13 0.00 0.00 51 A 8.10 4.26 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 52 Q 9.13 3.73 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 53 L 7.79 4.73 0.00 1.59 1.57 1.08 1.06 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 54 N 8.13 4.93 0.00 2.66 2.77 0.00 0.00 6.91 7.54 0.00 0.00 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 T 7.68 4.49 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 1.18 0.00 0.00 56 V 8.27 3.40 2.05 0.00 0.00 0.00 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 0.89 0.00 0.00 57 K 7.81 4.54 0.00 1.66 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.47 7.81 58 A 7.27 4.62 1.22 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 0.00 0.00 0.00 59 E 7.67 4.90 0.00 1.86 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 2.06 2.15 0.00 60 L 7.47 4.27 0.00 1.56 1.59 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.11 4.34 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 62 R 7.84 3.97 0.00 1.80 1.99 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 63 K 7.68 4.09 0.00 1.69 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 64 G 8.86 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 0.00 0.00 0.00 65 E 9.15 4.73 0.00 1.91 1.80 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 2.21 2.24 0.00 66 Q 8.56 4.24 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00