NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 3.9622 0.0000 0.0000 62.4838 31.4291 173.2811 7 D 4.3358 7.8605 124.1892 53.3214 41.6963 173.8915 8 Y 4.7910 8.9899 124.9883 57.9230 39.1663 175.5227 9 T 3.9435 8.4334 117.9817 64.4411 68.8553 173.6446 10 S 4.3681 8.4237 119.6128 56.3565 66.3257 173.0429 11 F 5.0607 7.1807 114.5145 55.8164 40.4119 173.9592 12 N 4.9914 10.2559 120.1750 53.8662 40.0286 175.2160 13 T 4.8620 7.7739 107.8411 58.9020 73.3690 174.5727 14 V 3.4219 8.0665 120.1407 66.1730 31.4334 177.4458 15 D 4.3747 8.1833 118.0672 57.7906 40.7070 178.7583 16 E 4.3002 8.2973 118.2135 58.7993 29.5369 179.2261 17 W 3.5499 8.3237 128.9243 60.1260 30.6589 178.0566 18 L 3.2459 8.2167 119.2646 57.6402 41.0749 179.4200 19 E 3.8085 8.1357 118.2886 59.1367 29.1624 179.1780 20 A 4.1468 7.9379 120.3265 53.8392 18.3798 178.6250 21 I 4.1153 6.7458 109.4603 59.6577 38.2822 175.5500 22 K 3.7840 7.5195 116.9425 58.7387 30.1327 175.4251 23 M 4.6531 8.2498 115.3186 54.8463 33.0631 178.7922 24 G 3.5606 8.0288 110.8463 48.3397 0.0000 176.3170 25 Q 3.9215 7.7874 116.5589 58.2794 28.7226 176.9283 26 Y 4.7228 7.8126 116.0939 57.6111 38.1402 177.0106 27 K 3.8220 7.7740 121.4671 60.0419 32.2875 178.6703 28 E 4.0891 8.1896 118.5062 59.1667 29.6805 178.6236 29 S 4.2753 8.2136 113.0760 61.1656 62.6123 175.9115 30 F 4.2046 9.1161 120.8009 60.6544 38.7678 177.4032 31 A 4.1171 8.6523 120.7466 55.4651 17.9738 179.4234 32 N 4.3176 8.5927 113.8833 56.2709 38.7359 176.8891 33 A 4.2457 7.9037 119.7522 52.7068 18.8328 178.1263 34 G 3.7347 7.7806 105.5215 45.0677 0.0000 174.8589 35 F 4.5082 7.7134 119.8633 56.1273 37.3243 175.3629 36 T 4.5716 8.1270 112.2385 60.7628 70.4364 175.3633 37 S 4.5808 7.4762 116.8332 55.9517 67.5318 174.7048 38 F 4.0177 8.2789 121.3092 60.4207 38.4394 177.5293 39 D 4.4336 8.2212 118.0831 57.4250 40.9322 178.6116 40 V 3.9671 7.6020 119.2109 64.2739 31.9028 178.5167 41 V 3.6319 7.9962 119.1892 65.7128 31.1429 177.9844 42 S 4.2431 8.2124 111.9770 60.3466 62.9037 174.6647 43 Q 4.4707 7.7877 118.5463 55.7869 29.3615 175.8852 44 M 4.2344 7.6171 118.5386 55.8031 32.6010 175.2797 45 M 4.8302 8.9904 121.4058 52.9519 35.9139 176.1922 46 M 3.9648 8.5599 117.5014 59.1586 31.9594 177.5511 47 E 3.9641 8.1223 118.9186 59.4031 29.7899 178.4733 48 D 4.2959 7.9063 118.4355 57.1788 40.9913 178.5161 49 I 3.4282 7.4907 120.3692 64.3711 37.0924 178.5227 50 L 3.9732 8.3088 120.1980 57.6375 41.1802 179.4242 51 R 3.9434 7.8933 118.1006 59.0829 29.9838 177.9222 52 V 4.2592 7.3858 109.9515 60.9418 31.7537 176.7367 53 G 3.8187 7.9343 106.0797 45.7234 0.0000 174.1569 54 V 3.8292 7.5513 120.0251 61.8020 30.9738 175.5660 55 T 4.4619 8.3140 117.0955 61.7397 70.7705 175.3635 56 L 4.1129 7.7995 123.3206 53.9899 43.0774 177.0060 57 A 4.2438 8.7913 126.2424 55.5018 18.3861 179.8486 58 G 3.6822 8.1058 103.4191 48.4759 0.0000 175.4146 59 H 4.3264 8.1643 118.1366 58.6672 28.7637 177.6843 60 Q 3.9543 8.5042 120.3064 59.0269 28.5509 179.2497 61 K 3.9915 8.2050 119.4505 59.0603 32.0713 179.3821 62 K 3.9024 8.1226 119.9632 59.6049 32.1780 179.0295 63 I 3.7203 7.9198 120.1116 64.4350 36.9851 178.4806 64 L 4.0699 8.2294 120.1603 57.8081 41.3412 179.1479 65 N 4.3438 8.7932 117.4856 56.7838 38.8833 177.2074 66 S 4.3112 8.3973 116.6971 61.5798 62.7930 176.7640 67 I 3.8696 8.0709 122.8173 64.3044 36.8979 178.2027 68 Q 3.9687 8.3978 120.8259 59.1247 28.9300 178.4262 69 V 3.6417 8.2919 119.8254 66.0063 31.4756 177.6767 70 M 3.9934 8.1294 118.0161 58.7716 32.1273 178.3879 71 R 3.8848 8.3330 118.2589 59.2904 30.1087 178.9087 72 A 4.0863 8.1120 120.5145 55.1045 18.3476 179.5522 73 Q 3.8955 8.0671 118.0046 59.6911 29.2377 178.3280 74 M 4.1017 8.2854 119.9285 58.4003 31.7560 178.3186 75 N 4.5310 8.4850 115.9778 55.2887 38.9267 176.9010 76 Q 4.2042 7.7366 119.6506 58.6612 28.9270 177.9262 77 I 3.6621 7.5625 120.8911 64.5681 37.3431 178.2272 78 Q 4.1360 7.8366 116.8476 58.3319 28.5161 177.3363 79 S 4.4565 8.0144 119.7316 58.6133 63.5137 173.7710 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 6 P 0.00 3.96 0.00 1.89 2.03 0.00 3.63 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 1.77 1.90 0.00 7 D 7.86 4.34 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.99 4.79 0.00 3.04 2.83 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 9 T 8.43 3.94 4.34 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 1.39 0.00 0.00 10 S 8.42 4.37 0.00 3.69 3.66 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 0.00 0.00 0.00 0.00 11 F 7.18 5.06 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 10.26 4.99 0.00 2.90 2.99 0.00 0.00 6.72 5.12 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 13 T 7.77 4.86 4.28 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 1.29 0.00 0.00 14 V 8.07 3.42 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 1.29 0.00 0.00 0.37 0.00 0.00 15 D 8.18 4.37 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.30 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 17 W 8.32 3.55 0.00 2.85 3.37 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 0.00 18 L 8.22 3.25 0.00 1.70 1.59 0.30 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.14 3.81 0.00 2.14 1.96 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 0.00 2.28 2.49 0.00 20 A 7.94 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.75 4.12 1.56 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.29 0.46 0.00 0.00 22 K 7.52 3.78 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.32 7.81 23 M 8.25 4.65 0.00 1.99 1.69 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 24 G 8.03 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.79 3.92 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 26 Y 7.81 4.72 0.00 2.97 3.22 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 27 K 7.77 3.82 0.00 1.83 1.90 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 28 E 8.19 4.09 0.00 2.07 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 2.42 2.40 0.00 29 S 8.21 4.28 0.00 4.10 4.25 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 30 F 9.12 4.20 0.00 3.29 3.44 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 31 A 8.65 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.59 4.32 0.00 2.76 2.93 0.00 0.00 7.07 7.22 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 33 A 7.90 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 3.73 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 35 F 7.71 4.51 0.00 3.25 3.09 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 36 T 8.13 4.57 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 37 S 7.48 4.58 0.00 3.99 3.91 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 0.00 0.00 0.00 38 F 8.28 4.02 0.00 3.10 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 39 D 8.22 4.43 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.97 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 0.95 0.00 0.00 1.07 0.00 0.00 41 V 8.00 3.63 1.94 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 0.77 0.00 0.00 1.08 0.00 0.00 42 S 8.21 4.24 0.00 4.02 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 43 Q 7.79 4.47 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 44 M 7.62 4.23 0.00 1.77 1.97 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 1.82 0.00 45 M 8.99 4.83 0.00 1.94 1.94 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 2.49 2.56 0.00 46 M 8.56 3.96 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 47 E 8.12 3.96 0.00 2.05 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 2.37 2.40 0.00 48 D 7.91 4.30 0.00 2.58 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 49 I 7.49 3.43 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.81 0.00 0.00 50 L 8.31 3.97 0.00 1.75 1.69 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.89 3.94 0.00 2.06 2.05 0.00 3.43 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 52 V 7.39 4.26 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 0.71 0.00 0.00 0.54 0.00 0.00 53 G 7.93 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 54 V 7.55 3.83 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 0.55 0.00 0.00 0.09 0.00 0.00 55 T 8.31 4.46 4.25 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 1.22 0.00 0.00 56 L 7.80 4.11 0.00 1.52 1.52 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.79 4.24 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 58 G 8.11 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.16 4.33 0.00 3.37 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.50 3.95 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 61 K 8.20 3.99 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 62 K 8.12 3.90 0.00 2.01 1.93 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 63 I 7.92 3.72 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 1.13 0.00 0.00 64 L 8.23 4.07 0.00 1.74 1.73 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.79 4.34 0.00 2.76 2.87 0.00 0.00 7.21 7.67 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 66 S 8.40 4.31 0.00 4.32 4.29 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 67 I 8.07 3.87 2.12 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 1.48 1.09 0.93 0.00 0.00 68 Q 8.40 3.97 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 69 V 8.29 3.64 2.23 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 1.01 0.00 0.00 0.97 0.00 0.00 70 M 8.13 3.99 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 71 R 8.33 3.88 0.00 2.07 1.97 0.00 3.36 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 72 A 8.11 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.07 3.90 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 74 M 8.29 4.10 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 75 N 8.48 4.53 0.00 2.71 2.88 0.00 0.00 7.04 7.72 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 76 Q 7.74 4.20 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 77 I 7.56 3.66 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.90 0.00 0.00 78 Q 7.84 4.14 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 79 S 8.01 4.46 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00