NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3963 8.2893 120.3238 55.6486 33.9674 175.7802 2 T 3.9394 7.7979 110.0649 61.2578 67.4415 172.6947 3 F 5.0566 8.2552 132.6096 55.7933 40.4233 174.4450 4 I 4.1444 7.2492 119.7664 59.6708 40.9828 173.1976 5 T 3.8019 8.3538 120.0785 61.5601 67.3795 172.7222 6 K 3.9623 8.1688 124.5424 57.2742 32.6618 171.7567 7 T 3.4080 8.4135 126.3404 62.1801 68.0107 170.7689 8 P 4.5817 0.0000 0.0000 61.0820 32.5682 173.8771 9 P 4.4831 0.0000 0.0000 62.1413 32.2753 176.9972 10 A 4.0523 8.5031 120.2711 54.9759 18.0516 179.5173 11 A 3.9182 7.9526 118.2768 55.5927 18.5206 179.8285 12 V 3.5741 7.8038 115.7206 66.3850 31.6082 177.4546 13 L 3.9288 7.9977 118.5119 57.9690 41.3699 179.2520 14 L 3.9544 7.6359 115.7409 57.9310 41.3637 180.0297 15 K 3.9609 7.8866 119.3905 59.4751 32.2234 178.9389 16 K 4.1150 8.1720 117.6053 58.3191 31.6487 179.1719 17 A 3.9676 7.4614 121.3170 55.0220 18.4281 179.0495 18 A 4.1048 7.4354 118.1094 53.8636 18.2786 178.4718 19 G 4.0635 7.8115 104.9408 45.6628 0.0000 174.7057 20 I 3.7249 7.9425 122.4925 63.8658 37.4623 176.7277 21 E 4.4289 7.7825 121.4490 54.2716 27.8171 174.1448 22 S 4.6699 7.3766 116.1937 56.6541 67.4224 174.7129 23 G 3.6254 8.4286 110.5588 47.0961 0.0000 177.5933 24 S 3.4995 9.2220 115.8027 56.6622 63.5532 171.5238 25 G 3.8351 9.9476 114.7196 44.7813 0.0000 175.3802 26 E 3.9573 9.0721 116.2156 55.4324 30.6950 176.0546 27 P 4.4490 0.0000 0.0000 62.7919 31.5677 176.3544 28 N 4.8215 8.4769 124.2135 52.3895 38.9655 176.0959 29 R 4.4027 7.5124 118.2846 55.7360 32.1340 171.6285 30 N 4.5486 8.2483 127.1325 53.6022 45.7800 175.3038 31 K 4.3454 7.5367 119.6275 54.3744 34.6219 175.5855 32 V 3.5137 8.2264 118.9334 63.3958 30.6128 175.5421 33 A 4.7628 8.2275 130.1019 51.2947 21.4551 175.0993 34 T 4.8338 8.1436 107.2894 60.9260 70.2829 173.5037 35 I 4.5055 8.1935 117.2582 59.4261 40.9990 174.1958 36 K 4.6864 8.4016 123.3045 55.4934 33.5266 177.5193 37 R 4.1879 8.5133 119.4690 58.3968 29.7241 178.0040 38 D 4.4030 8.2248 119.8949 56.7178 38.9110 178.8856 39 K 3.9227 8.1674 119.4581 59.3491 31.8426 179.4254 40 V 3.6544 7.7875 118.1408 65.5892 31.0398 177.9523 41 R 3.9811 7.6720 117.3977 58.9586 30.4939 177.3815 42 E 4.0340 8.1976 119.0740 59.3262 29.7325 178.6566 43 I 3.6621 7.8129 119.3531 64.5576 37.3367 178.4341 44 A 4.0709 7.7152 120.7486 54.7751 17.8394 179.2071 45 E 3.9461 7.9096 117.5473 59.0734 29.8734 178.2460 46 L 4.3007 7.8414 116.8574 55.7190 42.0545 177.1806 47 K 4.4956 7.6655 117.6224 55.8227 33.0966 175.9211 48 M 3.9673 8.1535 118.7477 58.3586 31.9034 175.3515 49 P 4.5016 0.0000 0.0000 62.7018 30.6159 173.1201 50 D 4.5471 8.1496 126.8782 54.6121 47.0004 177.2363 51 L 4.6127 7.8175 118.0002 56.6066 41.3903 175.5926 52 N 3.9306 8.3615 112.4679 55.7209 37.1353 171.9011 53 A 4.2376 7.4853 120.9385 52.0611 20.0408 177.8459 54 A 4.2793 8.3995 121.4850 54.5493 19.1986 177.4711 55 S 4.6695 7.5228 113.8058 59.4565 68.5152 176.1221 56 I 4.1334 6.9547 123.0341 60.8894 42.7974 175.7762 57 E 3.8794 7.9581 120.6078 59.1962 29.2179 178.3186 58 A 3.9608 8.0172 119.8889 55.3906 18.2090 179.3670 59 A 3.9926 7.9560 118.2463 55.2212 18.0062 179.4876 60 M 4.0748 8.0895 117.5383 58.2464 31.9326 178.8421 61 R 4.0761 7.9198 118.0248 58.6616 29.8203 178.9104 62 M 4.0515 7.7098 118.7094 58.5119 32.1685 178.5551 63 I 3.7191 7.4280 119.5165 64.4325 37.2460 178.3116 64 E 4.0388 7.9684 118.7871 59.5237 28.9394 179.6122 65 G 3.8201 7.8488 105.3512 47.6065 0.0000 175.6010 66 T 4.0281 7.4777 117.2712 66.2318 68.6513 176.1116 67 A 4.5044 7.7984 118.8075 52.6793 18.8738 178.2632 68 R 4.4529 7.9393 117.2608 57.4396 31.5526 177.6590 69 S 4.5131 7.5247 109.3533 59.2950 62.7500 175.5554 70 M 4.3708 7.6149 119.8362 57.7616 32.0488 176.4191 71 G 4.1449 7.9254 109.3664 45.9105 0.0000 174.4599 72 I 3.9680 8.0588 114.7956 60.6864 39.5551 175.9390 73 V 4.5135 8.1556 121.2111 61.1065 34.5327 174.1554 74 V 4.6806 8.3091 123.9211 61.0097 34.0830 175.1024 75 E 4.4552 8.1261 125.4414 54.7598 29.9243 175.5148 76 D 4.4551 8.4148 124.1960 54.5659 41.3776 176.0293 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 M 8.29 4.40 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 T 7.80 3.94 4.31 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 1.24 0.00 0.00 3 F 8.26 5.06 0.00 2.84 3.02 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 0.00 0.00 0.00 4 I 7.25 4.14 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.92 0.00 0.00 5 T 8.35 3.80 4.19 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 1.18 0.00 0.00 6 K 8.17 3.96 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.53 7.81 7 T 8.41 3.41 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 1.21 0.00 0.00 8 P 0.00 4.58 0.00 2.18 2.07 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 4.48 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 10 A 8.50 4.05 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 11 A 7.95 3.92 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 12 V 7.80 3.57 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 1.02 0.00 0.00 0.94 0.00 0.00 13 L 8.00 3.93 0.00 1.92 1.67 0.97 0.45 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 14 L 7.64 3.95 0.00 1.75 1.76 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.89 3.96 0.00 2.06 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 16 K 8.17 4.12 0.00 1.96 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 17 A 7.46 3.97 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 18 A 7.44 4.10 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 19 G 7.81 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 0.00 0.00 0.00 0.00 20 I 7.94 3.72 1.87 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 1.30 0.72 0.91 0.00 0.00 21 E 7.78 4.43 0.00 1.92 1.87 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 2.22 2.31 0.00 22 S 7.38 4.67 0.00 4.06 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.43 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 3.50 0.00 3.98 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 25 G 9.95 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.07 3.96 0.00 2.08 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 2.33 0.00 27 P 0.00 4.45 0.00 2.20 2.12 0.00 3.75 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 1.98 1.98 0.00 28 N 8.48 4.82 0.00 2.73 2.86 0.00 0.00 6.86 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.51 4.40 0.00 1.68 1.77 0.00 3.32 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 30 N 8.25 4.55 0.00 2.64 2.68 0.00 0.00 7.10 6.68 0.00 0.00 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 K 7.54 4.35 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 32 V 8.23 3.51 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 33 A 8.23 4.76 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 34 T 8.14 4.83 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 1.24 0.00 0.00 35 I 8.19 4.51 1.87 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 1.11 0.89 0.91 0.00 0.00 36 K 8.40 4.69 0.00 1.76 2.16 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.48 7.81 37 R 8.51 4.19 0.00 2.07 2.35 0.00 3.04 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 38 D 8.22 4.40 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.92 0.00 1.80 1.90 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.60 7.81 40 V 7.79 3.65 2.20 0.00 0.00 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 0.93 0.00 0.00 41 R 7.67 3.98 0.00 1.87 1.95 0.00 3.30 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 42 E 8.20 4.03 0.00 2.13 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 0.00 2.31 2.40 0.00 43 I 7.81 3.66 1.87 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 1.46 0.89 0.91 0.00 0.00 44 A 7.72 4.07 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.91 3.95 0.00 2.28 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 2.32 2.49 0.00 46 L 7.84 4.30 0.00 1.65 1.70 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.67 4.50 0.00 1.66 1.74 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.27 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.37 7.81 48 M 8.15 3.97 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 49 P 0.00 4.50 0.00 2.22 2.09 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 50 D 8.15 4.55 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.61 0.00 1.73 1.69 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.36 3.93 0.00 2.76 2.81 0.00 0.00 7.20 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.49 4.24 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 54 A 8.40 4.28 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 55 S 7.52 4.67 0.00 3.81 3.84 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 0.00 0.00 0.00 56 I 6.95 4.13 1.87 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 1.30 0.82 0.91 0.00 0.00 57 E 7.96 3.88 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 58 A 8.02 3.96 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 59 A 7.96 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.09 4.07 0.00 2.09 2.43 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 2.68 2.57 0.00 61 R 7.92 4.08 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 62 M 7.71 4.05 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 63 I 7.43 3.72 1.87 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 1.00 0.91 0.00 0.00 64 E 7.97 4.04 0.00 2.13 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 2.33 2.43 0.00 65 G 7.85 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 66 T 7.48 4.03 4.44 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 0.00 0.00 0.00 1.21 0.00 0.00 67 A 7.80 4.50 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.94 4.45 0.00 1.93 1.97 0.00 3.15 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 69 S 7.52 4.51 0.00 4.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 M 7.61 4.37 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.70 0.00 71 G 7.93 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 0.00 0.00 0.00 0.00 72 I 8.06 3.97 1.87 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 1.23 0.51 0.91 0.00 0.00 73 V 8.16 4.51 2.08 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 1.01 0.00 0.00 0.98 0.00 0.00 74 V 8.31 4.68 2.08 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 0.85 0.00 0.00 0.95 0.00 0.00 75 E 8.13 4.46 0.00 2.07 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 0.00 2.33 2.23 0.00 76 D 8.41 4.46 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00