NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4511 0.0000 0.0000 62.3923 33.6447 175.2384 2 I 4.7945 8.2117 122.8037 59.2149 40.0767 172.9059 3 A 4.5521 9.2006 130.8128 50.5391 21.2366 175.0263 4 Q 4.8272 8.6416 123.5584 54.4486 31.0520 174.5074 5 I 4.3978 8.8771 128.1637 59.9234 39.4585 174.4338 6 H 5.2213 8.7530 125.1282 54.8594 29.5991 174.8222 7 I 4.6155 8.5129 116.2951 58.7015 41.3551 175.2962 8 R 4.3897 8.5355 122.6499 56.8072 31.0922 174.9569 9 E 4.5435 8.4846 119.8194 54.6286 32.7376 175.1468 10 G 4.1135 7.4103 111.7414 46.3587 0.0000 173.3535 11 R 4.7232 7.5483 116.0538 53.0346 34.9409 175.9815 12 S 4.3968 7.9109 114.0219 58.0876 64.9673 174.8527 13 D 4.3456 8.6554 124.2894 57.9456 40.6917 178.9971 14 E 3.9315 8.2249 118.2845 59.5626 29.3461 179.2429 15 Q 3.9313 7.7219 119.0516 59.1504 29.1320 178.2930 16 K 4.0106 8.4599 122.2715 60.1461 31.9290 179.8596 17 E 4.0109 8.5035 118.7899 61.1580 29.5392 181.7194 18 T 4.0952 7.8195 115.6403 66.4737 68.5072 176.4449 19 L 3.8994 8.0884 122.5702 58.3922 42.0809 178.8900 20 I 3.6585 7.8266 119.4575 64.5198 37.1068 178.3563 21 R 3.8651 7.7158 118.8980 59.4824 29.9708 178.2586 22 E 3.9279 8.7136 118.6321 59.4754 29.4147 179.6171 23 V 3.5663 8.0955 118.4431 66.1836 31.5619 178.1288 24 S 4.1191 8.1307 114.8432 61.7952 62.6075 176.6914 25 E 3.9573 8.2985 121.0258 59.2289 29.1588 179.2190 26 A 3.9945 8.0015 120.9694 55.0610 18.3084 179.7113 27 I 3.6178 8.1194 118.7652 64.4517 37.3009 178.1781 28 S 4.0616 8.2029 113.9658 61.8120 62.2142 176.0115 29 R 3.8498 8.6180 121.4813 59.8911 29.5943 178.6240 30 S 4.2243 8.2737 113.3538 60.6489 63.2482 175.3136 31 L 4.3118 8.0390 120.4401 53.4405 42.3983 175.4818 32 D 4.2743 7.6976 116.9209 55.3327 40.0282 172.7338 33 A 4.7993 7.5566 119.1837 49.3563 21.9723 175.6293 34 P 4.3989 0.0000 0.0000 62.0759 32.4673 177.3034 35 L 3.9299 8.8868 125.2813 58.5695 42.0176 179.0893 36 T 4.0149 8.1080 106.8330 64.8089 68.2710 174.8587 37 S 4.2259 7.6689 114.3441 59.6090 63.5460 174.0575 38 V 4.1335 7.9014 122.9170 62.4227 31.8237 175.3611 39 R 4.7340 8.9225 127.0506 54.2757 33.3232 174.8683 40 V 4.7747 8.4171 122.6136 61.0197 34.2847 174.1032 41 I 4.4815 9.1426 128.3768 59.1096 40.4407 173.6503 42 I 4.8297 8.3660 129.0361 59.4568 40.3420 174.3237 43 T 4.5732 8.9586 126.1721 61.7898 71.0539 173.1001 44 E 4.8281 8.8411 126.2534 55.8703 31.0398 175.7643 45 M 4.6662 8.9534 123.6177 53.2522 33.6486 176.2458 46 A 4.8851 8.7330 128.6718 51.8204 19.3656 178.5380 47 K 3.8796 8.7386 121.5823 57.1657 31.6588 179.1996 48 G 4.2223 7.9266 104.7786 45.8012 0.0000 173.0835 49 H 5.0096 8.5131 114.0819 54.8631 29.8867 173.6060 50 F 5.1019 8.1483 122.3010 56.3611 41.9494 173.4476 51 G 4.2348 8.5401 116.0291 43.4720 0.0000 171.9065 52 I 4.1020 7.6240 122.7920 60.0288 39.1984 176.2150 53 G 3.7171 9.4687 113.5677 46.3674 0.0000 174.3798 54 G 3.8841 8.3950 108.7159 44.9026 0.0000 174.1111 55 E 4.4426 7.2482 118.2399 54.7267 31.4907 175.2437 56 L 4.4359 7.9907 119.2477 54.4049 43.4986 178.3193 57 A 3.9137 8.3753 127.1540 55.7131 18.3974 180.6528 58 S 4.3382 8.2525 118.5767 64.5035 62.3055 179.5214 59 K 4.5285 7.8653 125.2876 57.9210 31.7531 179.4254 60 V 3.9859 7.3956 115.8814 61.8047 31.6270 177.1519 61 R 4.2107 8.2902 122.5965 56.4604 30.2650 171.1903 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 P 0.00 4.45 0.00 2.08 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.21 4.79 1.86 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 1.27 0.71 0.90 0.00 0.00 3 A 9.20 4.55 1.21 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 0.00 0.00 4 Q 8.64 4.83 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.67 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 5 I 8.88 4.40 1.83 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 1.20 0.42 0.87 0.00 0.00 6 H 8.75 5.22 0.00 2.92 3.05 0.00 5.64 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 7 I 8.51 4.62 1.83 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 1.18 0.91 0.87 0.00 0.00 8 R 8.54 4.39 0.00 1.73 1.99 0.00 3.27 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 9 E 8.48 4.54 0.00 2.22 1.77 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 2.27 2.28 0.00 10 G 7.41 4.11 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 0.00 11 R 7.55 4.72 0.00 1.73 1.88 0.00 3.20 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 12 S 7.91 4.40 0.00 4.36 4.05 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 0.00 0.00 0.00 13 D 8.66 4.35 0.00 2.74 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 14 E 8.22 3.93 0.00 2.05 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 2.40 2.44 0.00 15 Q 7.72 3.93 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 16 K 8.46 4.01 0.00 2.11 1.83 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 17 E 8.50 4.01 0.00 1.96 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 2.24 2.22 0.00 18 T 7.82 4.10 4.42 0.00 0.00 0.00 0.00 0.00 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 19 L 8.09 3.90 0.00 1.73 1.88 0.91 1.26 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 20 I 7.83 3.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.90 0.00 0.00 21 R 7.72 3.87 0.00 1.83 2.05 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 E 8.71 3.93 0.00 2.12 1.98 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 2.51 2.46 0.00 23 V 8.10 3.57 2.17 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 1.11 0.00 0.00 0.94 0.00 0.00 24 S 8.13 4.12 0.00 4.14 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 25 E 8.30 3.96 0.00 2.03 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 2.27 2.59 0.00 26 A 8.00 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 3.62 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.91 0.00 0.00 28 S 8.20 4.06 0.00 3.87 3.99 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 0.00 0.00 0.00 29 R 8.62 3.85 0.00 1.95 2.09 0.00 3.14 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 30 S 8.27 4.22 0.00 4.06 3.98 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 31 L 8.04 4.31 0.00 1.62 1.74 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.70 4.27 0.00 2.77 2.69 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 33 A 7.56 4.80 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 34 P 0.00 4.40 0.00 2.19 1.97 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 35 L 8.89 3.93 0.00 1.71 1.68 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.11 4.01 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 1.21 0.00 0.00 37 S 7.67 4.23 0.00 4.03 4.03 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 38 V 7.90 4.13 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 0.75 0.00 0.00 1.00 0.00 0.00 39 R 8.92 4.73 0.00 1.76 1.76 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.42 4.77 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 0.76 0.00 0.00 0.92 0.00 0.00 41 I 9.14 4.48 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.54 0.95 0.00 0.00 42 I 8.37 4.83 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.88 0.00 0.00 43 T 8.96 4.57 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 1.21 0.00 0.00 44 E 8.84 4.83 0.00 1.84 1.86 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 2.26 2.32 0.00 45 M 8.95 4.67 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 46 A 8.73 4.89 1.14 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 47 K 8.74 3.88 0.00 1.78 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.04 7.81 48 G 7.93 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 0.00 0.00 0.00 0.00 49 H 8.51 5.01 0.00 3.38 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.15 5.10 0.00 2.93 2.86 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 51 G 8.54 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 0.00 0.00 0.00 0.00 52 I 7.62 4.10 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.19 0.83 0.00 0.00 53 G 9.47 3.72 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 0.00 0.00 0.00 54 G 8.39 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.25 4.44 0.00 2.04 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 2.23 2.38 0.00 56 L 7.99 4.44 0.00 1.66 1.55 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.38 3.91 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 58 S 8.25 4.34 0.00 3.72 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 59 K 7.87 4.53 0.00 1.85 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.09 7.81 60 V 7.40 3.99 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 0.73 0.00 0.00 0.92 0.00 0.00 61 R 8.29 4.21 0.00 1.76 1.60 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00