NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.4660 8.3049 120.3311 54.9786 33.4560 174.8863 6 K 4.2584 7.8767 121.6308 54.9077 33.0125 174.8083 7 P 4.7134 0.0000 0.0000 62.8263 32.8760 175.5453 8 V 4.4961 8.8307 121.8154 60.8641 34.8172 174.4664 9 K 4.5661 8.7562 129.2200 56.4393 32.5416 176.0682 10 V 4.2906 8.6896 120.4011 59.2891 36.2759 174.2854 11 K 4.8638 8.3179 123.4498 55.0540 33.5728 176.3348 12 T 3.3638 8.4366 117.8062 59.6843 69.9969 174.0416 13 P 3.9976 0.0000 0.0000 65.2783 31.3948 178.1244 14 A 3.9425 7.0302 119.8355 53.5630 18.3573 178.2418 15 G 4.0728 8.0143 104.4470 45.0776 0.0000 173.2128 16 K 4.6468 7.8770 118.2716 54.1452 35.2126 175.1929 17 E 4.8096 8.6654 123.0012 55.7546 30.5666 175.7940 18 A 4.6761 8.8321 125.1139 50.3327 23.3156 174.8995 19 E 4.7713 8.8130 120.9921 55.6054 30.3079 175.9138 20 L 4.9411 8.8613 124.9428 52.6947 45.7825 176.1161 21 V 4.4468 8.4803 122.9739 61.5323 32.2275 174.1522 22 P 3.8727 0.0000 0.0000 62.2623 32.0068 175.9212 23 E 4.1641 8.5589 121.9121 58.9154 30.3108 176.8419 24 K 4.7784 7.6131 118.8313 55.1536 35.8191 175.1819 25 V 5.0866 8.3547 118.4961 59.8034 35.7623 174.4019 26 W 5.0361 8.4347 118.4244 55.7290 31.8106 172.9336 27 A 4.7556 8.7633 122.7713 51.1574 19.6872 176.9599 28 L 4.7837 9.1917 124.1751 53.3900 44.1819 175.0305 29 A 4.8375 8.2784 127.6306 49.8103 22.5254 174.2608 30 P 4.5164 0.0000 0.0000 61.7146 32.2432 176.1577 31 K 4.1082 8.4034 120.0110 58.0999 32.2567 177.8998 32 G 3.9692 8.9917 110.6992 45.6922 0.0000 173.1252 33 R 4.7100 7.5471 117.1682 53.5809 33.5109 175.3264 34 K 4.2821 8.5248 121.3480 56.3166 33.6393 176.9684 35 G 4.1671 8.3057 115.1073 45.1175 0.0000 171.0100 36 V 4.6138 8.5961 115.5890 59.6516 36.7989 174.4443 37 K 4.9083 8.4136 119.6978 54.8129 34.9518 175.6952 38 I 4.5708 8.2171 124.9136 59.2054 40.5359 174.8491 39 G 3.9440 8.7044 112.5343 44.0707 0.0000 171.3355 40 L 5.0846 8.4515 124.1149 53.3622 43.8253 175.4474 41 F 4.9949 9.1371 124.4682 55.2933 43.1502 173.7780 42 K 4.6573 8.2841 121.2507 54.2468 34.5420 175.0183 43 D 4.7860 9.3366 128.5735 53.7560 41.4751 175.3792 44 P 4.3317 0.0000 0.0000 65.0211 31.7852 176.9683 45 E 4.3670 8.4683 118.0827 57.4538 30.3203 176.9273 46 T 4.2458 8.1686 106.5426 60.9922 70.1256 175.6953 47 G 3.8668 8.2957 109.7056 44.8341 0.0000 173.2943 48 K 4.2702 7.7981 122.4148 56.4581 33.2305 175.6783 49 Y 5.0406 8.7985 125.1903 57.9136 39.1511 174.6638 50 F 5.1815 9.2928 116.9763 55.9584 41.7400 173.4859 51 R 5.1763 8.7168 118.8798 55.7867 32.2392 175.1150 52 H 4.8512 8.7973 119.3766 54.6642 33.7356 172.9104 53 K 4.4415 8.5606 125.7097 56.8194 32.7518 175.7279 54 L 4.8016 8.3038 125.5248 51.9606 44.5383 174.8495 55 P 4.4378 0.0000 0.0000 62.8541 31.9026 177.6859 56 D 4.4015 8.6888 120.7431 57.0737 40.9044 177.1119 57 D 4.7172 7.9663 116.1349 53.0279 39.9018 175.7642 58 Y 3.9792 7.8334 122.1674 56.9880 39.2221 173.8276 59 P 4.2804 0.0000 0.0000 62.7540 31.9057 176.4585 60 I 4.1561 8.3572 123.1119 61.4869 37.2570 175.5532 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 M 8.30 4.47 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 6 K 7.88 4.26 0.00 1.64 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.57 7.81 7 P 0.00 4.71 0.00 2.00 2.05 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 8 V 8.83 4.50 2.22 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 0.93 0.00 0.00 0.90 0.00 0.00 9 K 8.76 4.57 0.00 1.80 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 10 V 8.69 4.29 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.72 0.00 0.00 11 K 8.32 4.86 0.00 1.71 1.64 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.34 7.81 12 T 8.44 3.36 4.06 0.00 0.00 0.00 0.00 0.00 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 13 P 0.00 4.00 0.00 1.92 2.04 0.00 3.19 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 14 A 7.03 3.94 1.27 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 0.00 0.00 0.00 15 G 8.01 4.07 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 0.00 0.00 0.00 16 K 7.88 4.65 0.00 1.67 1.64 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.32 7.81 17 E 8.67 4.81 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 18 A 8.83 4.68 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 4.77 0.00 1.88 1.95 0.00 0.00 0.00 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 2.34 0.00 20 L 8.86 4.94 0.00 1.67 1.73 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.48 4.45 2.13 0.00 0.00 0.00 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 0.99 0.00 0.00 22 P 0.00 3.87 0.00 1.84 0.67 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 23 E 8.56 4.16 0.00 2.02 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 0.00 2.34 2.29 0.00 24 K 7.61 4.78 0.00 1.91 1.71 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.92 7.81 25 V 8.35 5.09 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 0.71 0.00 0.00 1.09 0.00 0.00 26 W 8.43 5.04 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.76 4.76 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 28 L 9.19 4.78 0.00 1.73 1.52 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.28 4.84 1.28 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 0.00 0.00 30 P 0.00 4.52 0.00 2.20 1.99 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 31 K 8.40 4.11 0.00 1.75 1.77 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 32 G 8.99 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.55 4.71 0.00 1.95 1.81 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 34 K 8.52 4.28 0.00 1.72 1.71 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.44 7.81 35 G 8.31 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 4.61 2.03 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 0.76 0.00 0.00 0.88 0.00 0.00 37 K 8.41 4.91 0.00 1.63 1.60 0.00 1.90 0.00 0.00 1.99 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 I 8.22 4.57 0.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.81 0.33 0.00 0.00 39 G 8.70 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 0.00 0.00 0.00 40 L 8.45 5.08 0.00 2.03 1.62 1.02 0.74 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 41 F 9.14 4.99 0.00 1.51 2.28 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 42 K 8.28 4.66 0.00 1.16 1.46 0.00 1.06 0.00 0.00 1.40 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.05 0.81 7.81 43 D 9.34 4.79 0.00 2.90 2.61 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 44 P 0.00 4.33 0.00 2.23 2.20 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 45 E 8.47 4.37 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 46 T 8.17 4.25 4.24 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 1.20 0.00 0.00 47 G 8.30 3.87 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 0.00 0.00 0.00 48 K 7.80 4.27 0.00 1.94 1.75 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.55 7.81 49 Y 8.80 5.04 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.29 5.18 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.72 5.18 0.00 1.83 1.92 0.00 3.39 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 52 H 8.80 4.85 0.00 3.32 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.56 4.44 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 L 8.30 4.80 0.00 1.41 1.27 0.52 0.99 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 55 P 0.00 4.44 0.00 2.30 2.04 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 56 D 8.69 4.40 0.00 2.68 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 57 D 7.97 4.72 0.00 2.77 2.78 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 58 Y 7.83 3.98 0.00 3.08 2.92 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 59 P 0.00 4.28 0.00 1.87 1.86 0.00 2.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 60 I 8.36 4.16 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 1.01 0.00 0.00