NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5759 8.3493 120.1888 53.8683 42.2898 174.4281 6 C 4.1646 8.4820 115.2934 54.6103 40.1210 170.5314 7 A 4.5296 9.9372 131.4216 51.2672 20.0672 177.2468 8 C 5.0725 8.4162 120.3988 54.1342 43.2734 172.5366 9 P 4.5354 0.0000 0.0000 63.4556 31.2717 175.9107 10 R 4.6389 8.2021 116.6562 56.0125 30.7083 177.1222 11 V 3.8349 7.6738 116.9271 61.0968 32.4528 175.0574 12 L 4.5515 8.3141 124.4502 54.5022 42.9929 176.4715 13 H 4.9425 9.4963 127.8941 54.0216 29.9738 172.1213 14 R 4.4837 8.0315 118.9705 57.2793 31.5950 177.1713 15 V 4.9397 9.2191 116.2881 59.6055 36.6154 173.4063 16 C 5.1479 9.0114 121.9575 54.8575 46.7666 173.7104 17 G 4.4800 9.3398 114.5088 45.6007 0.0000 174.6967 18 S 4.3543 8.8509 115.6285 60.1895 63.1915 174.8920 19 D 4.5201 8.1754 119.3097 53.1961 39.6144 176.8838 20 G 3.8987 8.1980 107.8701 46.3057 0.0000 172.8992 21 N 4.8123 8.3787 117.2777 51.6210 40.6602 174.5758 22 T 4.5693 8.2622 120.0529 63.7054 69.4209 173.5358 23 Y 4.4797 8.9688 124.6246 56.2323 40.1397 177.4951 24 S 4.3029 8.8690 119.0860 61.3893 63.5815 173.8599 25 N 5.8759 8.3364 117.5879 50.3172 41.4197 173.3104 26 P 4.2398 0.0000 0.0000 66.2253 31.2235 179.4288 27 C 4.2817 8.2316 116.8470 59.8539 44.1084 175.5893 28 T 3.7633 8.5187 111.6385 64.3270 68.3676 176.2477 29 L 2.7757 7.8975 123.3278 57.9549 42.0631 178.3514 30 D 4.2843 8.2272 118.1281 57.5876 40.9881 177.6731 31 C 4.2282 8.2920 118.7111 59.5522 42.0027 175.3384 32 A 3.9321 7.9356 122.4143 54.8861 17.8063 179.3078 33 K 3.8740 7.9517 118.0997 60.2606 32.1026 178.6042 34 H 4.2536 8.0090 113.7645 57.7247 28.6877 176.6747 35 E 4.5375 7.8207 119.7685 57.8839 30.1989 176.9938 36 G 4.1464 7.7072 102.9061 46.0516 0.0000 173.9811 37 K 4.5541 7.6731 120.1808 53.3477 32.7088 174.8594 38 P 4.1508 0.0000 0.0000 65.2254 31.7253 177.2189 39 D 4.6294 7.8919 114.5185 53.1116 39.6943 175.9095 40 L 4.1021 7.7999 123.4302 55.3203 42.7227 176.1487 41 V 4.5019 8.1716 124.1580 61.0744 35.6354 173.6538 42 Q 4.4653 8.5915 127.8623 56.2113 28.9350 175.6657 43 V 3.9808 9.0838 128.2518 65.8382 32.1571 175.3767 44 H 4.8072 7.5159 113.0675 54.6743 31.4306 173.0571 45 E 4.3102 8.8227 119.0290 57.1150 30.0229 177.7202 46 G 4.0756 8.5000 107.0062 44.4779 0.0000 171.9566 47 P 4.3986 0.0000 0.0000 62.2935 31.8634 177.6386 48 C 4.5560 8.5283 118.8377 56.7355 40.7225 173.3147 49 D 4.5404 8.5422 121.9405 53.2738 41.4335 174.5462 50 P 4.4097 0.0000 0.0000 63.1880 31.2901 175.8364 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 5 D 8.35 4.58 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.48 4.16 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 7 A 9.94 4.53 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 8 C 8.42 5.07 0.00 2.94 2.98 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 0.00 0.00 0.00 9 P 0.00 4.54 0.00 2.17 2.06 0.00 3.74 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 1.99 1.99 0.00 10 R 8.20 4.64 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 11 V 7.67 3.83 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 0.69 0.00 0.00 0.95 0.00 0.00 12 L 8.31 4.55 0.00 1.62 1.64 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.50 4.94 0.00 3.22 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.03 4.48 0.00 1.79 1.88 0.00 3.11 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 15 V 9.22 4.94 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 0.81 0.00 0.00 1.02 0.00 0.00 16 C 9.01 5.15 0.00 2.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.34 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.35 0.00 4.00 4.09 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 0.00 0.00 0.00 0.00 19 D 8.18 4.52 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.20 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.38 4.81 0.00 2.75 2.26 0.00 0.00 7.05 6.56 0.00 0.00 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 T 8.26 4.57 4.14 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 0.00 0.00 0.00 1.20 0.00 0.00 23 Y 8.97 4.48 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.87 4.30 0.00 3.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 5.88 0.00 3.01 3.04 0.00 0.00 6.74 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.24 0.00 2.18 2.18 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 27 C 8.23 4.28 0.00 2.98 3.31 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 28 T 8.52 3.76 4.37 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 1.32 0.00 0.00 29 L 7.90 2.78 0.00 1.59 1.77 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.23 4.28 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.29 4.23 0.00 3.02 3.30 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 32 A 7.94 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.87 0.00 1.73 2.01 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.50 7.81 34 H 8.01 4.25 0.00 3.40 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.82 4.54 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 36 G 7.71 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.67 4.55 0.00 1.71 1.68 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.39 7.81 38 P 0.00 4.15 0.00 2.01 2.08 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 39 D 7.89 4.63 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.80 4.10 0.00 1.59 1.69 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.17 4.50 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 0.94 0.00 0.00 0.91 0.00 0.00 42 Q 8.59 4.47 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 43 V 9.08 3.98 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 0.89 0.00 0.00 0.94 0.00 0.00 44 H 7.52 4.81 0.00 3.26 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.82 4.31 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 46 G 8.50 4.08 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 0.00 0.00 0.00 47 P 0.00 4.40 0.00 2.06 1.99 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 48 C 8.53 4.56 0.00 2.94 3.04 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 0.00 0.00 0.00 0.00 49 D 8.54 4.54 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.41 0.00 2.07 1.99 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00