NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4663 8.2993 120.0195 56.3692 34.8106 176.3899 3 P 4.6954 0.0000 0.0000 62.4872 29.9810 174.7328 4 S 4.6327 8.7031 110.3497 58.0617 63.2240 176.6001 5 E 3.9288 8.1612 121.2137 58.2910 29.5519 176.3427 6 M 4.4487 7.6957 117.4796 55.8231 32.3943 176.6015 7 R 4.2325 7.3018 117.9941 57.1141 31.0017 176.0451 8 N 4.8471 7.4668 115.1810 51.8610 38.9021 175.7763 9 L 4.1465 7.4566 119.0568 54.6484 43.1459 172.7483 10 Q 4.4856 8.0294 123.5683 54.8956 29.7089 174.8987 11 A 4.4271 8.9117 124.8406 51.4051 21.2089 176.1820 12 T 3.5499 8.1585 106.6280 64.3110 67.2232 170.7303 13 D 4.7922 7.7195 123.9572 56.3717 43.9926 178.3696 14 F 4.1791 8.2369 119.1297 59.3662 39.8029 176.2870 15 A 4.1388 8.2941 122.5965 55.2066 18.2647 177.9924 16 K 4.4474 7.6058 112.6650 56.0233 32.9131 177.2809 17 E 3.7650 8.1629 120.7386 58.8559 28.4107 179.0820 18 I 3.6771 7.4660 119.5353 64.1213 37.3284 177.2777 19 D 4.4993 7.7510 118.4141 56.1339 42.3318 177.3821 20 A 4.5830 6.9047 122.1543 51.5636 17.8432 179.4218 21 R 3.9620 9.0518 121.0132 61.6233 30.1289 176.0749 22 K 4.4783 7.0695 117.5705 54.3686 30.4669 174.6068 23 K 4.7066 7.6541 119.3629 57.1676 38.3171 176.4927 24 E 4.6067 7.9708 116.9813 56.0887 30.7861 175.9828 25 L 4.3122 7.9487 119.9623 55.3412 42.9434 177.0023 26 M 4.2050 7.6488 116.7844 57.2809 32.6284 176.2150 27 E 4.3505 7.0248 116.6900 55.6573 29.9629 176.7598 28 L 3.8675 6.9001 114.5177 55.2580 46.8480 175.9247 29 R 4.2452 7.0034 117.4140 56.2595 30.4610 175.9023 30 F 4.5952 6.9577 109.8673 57.0209 38.6160 174.4088 31 Q 4.1162 8.5685 119.8973 55.9598 29.1254 173.7869 32 A 3.5918 8.9872 130.1252 52.3001 18.4446 176.8233 33 A 4.0048 8.5501 120.0983 53.0728 15.7746 177.8660 34 A 4.7836 7.1549 118.8438 52.4568 20.7619 178.7808 35 G 4.7282 7.1423 114.1992 45.5877 0.0000 172.5682 36 Q 4.2657 8.6588 123.8847 57.0138 29.9588 177.1881 37 L 4.7329 7.6845 113.8586 53.6620 44.7369 176.6741 38 A 4.2374 8.2465 124.7249 52.8231 17.6051 179.4095 39 Q 4.5891 8.9174 121.4225 55.0715 29.6358 172.9419 40 P 4.2968 0.0000 0.0000 65.8411 32.0549 176.6190 41 H 4.3021 7.5880 117.9208 56.1039 28.9133 175.0841 42 R 5.5346 7.3494 135.0000 56.6716 33.1871 173.1773 43 V 4.3705 7.3044 117.3776 63.8036 32.5417 176.0616 44 R 4.3813 9.0176 116.6898 55.9669 30.2458 175.0724 45 Q 4.5168 7.5432 113.0024 55.0980 31.3706 174.2009 46 L 5.0679 7.0258 116.5173 54.7409 44.5703 174.2121 47 R 4.6238 7.7786 113.3058 56.3190 33.9174 176.0515 48 R 4.5892 7.8862 118.2257 55.8394 30.2415 177.3484 49 E 4.2201 8.1544 116.3452 58.6249 29.9905 177.6907 50 V 4.5384 6.8034 114.9539 59.9507 32.6706 172.5309 51 A 4.2634 8.1013 121.9995 52.1853 21.8634 177.5392 52 Q 3.7280 9.1318 118.1544 56.7475 27.6619 173.8266 53 L 4.7311 7.7839 115.3946 54.6800 43.1015 176.3437 54 N 4.9349 8.1248 115.2756 53.0411 39.2174 174.1739 55 T 4.4907 7.6784 107.5695 60.1901 71.3651 173.6311 56 V 3.4047 8.2651 112.2033 61.7427 29.0802 174.2961 57 K 4.5398 7.8131 114.5299 57.0047 36.1824 176.0429 58 A 4.6227 7.2616 120.6406 52.0003 19.1658 175.3541 59 E 4.9078 7.6744 115.8918 57.1623 31.3743 175.3950 60 L 4.2745 7.4623 125.7767 55.5718 46.0694 175.2721 61 A 4.3450 8.1092 117.4788 53.0645 18.3404 178.1925 62 R 3.9731 7.8376 114.9122 57.6501 30.2508 176.6376 63 K 4.0875 7.6836 117.4925 56.9305 32.8326 176.6147 64 G 3.8221 8.8603 113.9092 45.0296 0.0000 173.8945 65 E 4.7347 9.1487 115.0032 54.8508 34.2183 174.9482 66 Q 4.2396 8.5560 118.8912 56.3402 28.8015 175.3638 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 2.08 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 7.29 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 11 A 8.91 4.43 1.31 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 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 4.18 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 8.29 4.14 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 3.77 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 3.68 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 4.58 0.92 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 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 1.63 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 7.65 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 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.65 4.20 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.09 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 7.02 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 0.99 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 7.00 4.25 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.24 7.30 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 3.03 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 4.12 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 32 A 8.99 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 4.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.78 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 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 4.27 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 4.24 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 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.37 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 7.59 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 7.30 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 0.97 0.00 0.00 44 R 9.02 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 7.03 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 7.26 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 7.89 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 8.15 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 0.92 0.00 0.00 1.12 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 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 53 L 7.78 4.73 0.00 1.58 1.57 1.02 1.10 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 8.12 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 1.21 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 1.67 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.47 7.81 58 A 7.26 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 4.91 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 7.46 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 1.26 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 0.00 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 3.82 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 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