NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0949 8.2649 123.5850 49.3276 20.8987 173.5626 2 K 3.6084 8.0049 129.3749 54.9041 28.7537 172.9774 3 E 4.2127 9.2640 125.3590 56.5941 31.0983 177.1406 4 K 4.6014 8.2910 115.4365 56.4840 33.4655 177.3749 5 D 4.4636 8.0381 115.7506 54.2601 38.8976 176.3042 6 T 4.4565 7.2690 116.2801 63.5288 69.6398 173.3704 7 I 4.7321 8.0360 121.9822 60.0438 42.1173 175.7663 8 R 5.2190 8.1580 118.8241 55.1378 31.7254 175.5449 9 T 3.8277 7.5553 114.8004 61.1237 69.5375 172.2661 10 E 4.8508 8.2796 124.9811 54.9899 33.2408 174.2707 11 G 4.6334 7.8453 105.9156 45.6581 0.0000 172.1121 12 V 4.9958 8.4232 119.8211 60.4506 34.6820 175.4427 13 V 3.4691 8.8544 128.1120 64.4154 31.7254 174.9063 14 T 4.3558 9.0353 124.6526 63.9241 70.5127 174.4082 15 E 4.4054 7.9022 120.9234 55.5500 32.0125 176.1432 16 A 5.0655 8.7425 124.7127 50.6167 18.5883 175.4500 17 L 4.0566 7.0649 121.6050 53.5826 42.8130 176.0921 18 P 4.2879 0.0000 0.0000 63.6767 32.3965 175.4977 19 N 3.8535 8.6110 116.4155 55.9255 35.5804 174.4664 20 A 3.8271 7.3945 124.7136 53.6505 16.5508 176.7188 21 T 4.7444 6.4276 117.4227 61.4433 72.6233 174.0674 22 F 5.0320 8.5252 122.0393 56.1932 43.1637 174.9122 23 R 3.8986 9.1752 121.5714 58.3494 30.4130 178.1396 24 V 3.1441 6.7747 114.4194 63.1592 29.5065 173.6187 25 K 4.5757 9.1685 131.0871 54.5424 32.0556 176.0425 26 L 4.4201 8.6533 128.1372 54.9583 42.1831 177.2083 27 D 4.4650 8.7840 124.2140 57.3997 41.3305 178.5443 28 S 3.9782 8.0921 109.5262 60.2921 61.5245 174.1349 29 G 3.9626 5.8716 105.7952 44.1490 0.0000 175.0074 30 P 5.0207 0.0000 0.0000 60.5665 33.6727 174.2058 31 E 5.1605 8.5825 118.5265 55.3755 32.4808 174.6322 32 I 4.7618 8.1888 112.2593 58.6228 40.7784 176.4168 33 L 3.4949 8.4842 120.6094 56.8468 41.7823 179.2195 34 A 4.3621 7.5014 115.8920 52.3970 16.3719 174.8648 35 Y 5.3956 7.8353 123.9489 55.2987 41.5892 175.0310 36 I 4.2873 8.2422 122.0434 60.9298 37.9234 176.2382 37 S 4.0147 8.4553 121.4815 58.6719 63.1143 174.7267 38 G 3.8753 9.4239 113.4142 48.9883 0.0000 175.4837 39 K 3.8381 8.1193 119.0864 59.4430 31.9213 178.2795 40 M 3.9428 7.9446 119.6668 59.2025 32.5014 179.0015 41 R 4.0227 8.2290 117.8485 59.2098 29.9846 178.7530 42 M 4.1875 8.2433 117.8144 58.0837 32.2304 176.4103 43 H 4.9498 8.1746 114.0725 54.9296 30.7558 176.6203 44 Y 3.1979 8.9933 120.9993 58.3752 37.0041 171.5266 45 I 3.1660 9.3022 122.4842 61.9670 34.1061 173.1434 46 R 4.0861 7.8837 120.7292 56.6422 30.9036 177.3271 47 I 4.3275 7.8594 119.1999 59.2128 39.0918 175.4102 48 L 4.1572 8.2452 125.6684 54.1067 42.0541 176.9655 49 P 4.4607 0.0000 0.0000 64.0495 31.1468 177.1983 50 G 4.5195 7.8801 105.7171 45.5245 0.0000 172.6420 51 D 5.1766 7.8795 118.5339 51.9168 45.0245 177.0973 52 R 4.5480 8.3476 121.7722 56.5505 31.3626 175.6602 53 V 4.5878 9.3354 118.8799 59.7983 36.8128 174.1434 54 V 4.4323 7.9400 122.0788 61.5411 33.4684 174.8583 55 V 4.8698 8.7859 126.9954 61.0310 35.1881 173.7168 56 E 5.5055 8.8508 127.7283 54.1079 31.5332 174.4635 57 I 4.7691 8.1572 127.9469 59.7186 40.5357 174.8326 58 T 4.1718 8.5174 124.4472 61.9916 69.0683 173.9867 59 P 4.2814 0.0000 0.0000 66.0261 31.3305 176.8674 60 Y 4.6721 7.7828 115.4466 61.1321 37.9736 176.4044 61 D 4.6794 8.6377 120.4174 51.9856 42.1626 173.2749 62 P 4.3303 0.0000 0.0000 65.5589 31.6995 178.4612 63 T 4.0780 8.1990 115.1904 65.8699 69.1614 174.0705 64 R 4.9130 7.9101 118.8358 54.6165 33.9474 175.0854 65 G 4.1777 8.4089 105.7807 45.4771 0.0000 171.7398 66 R 4.3569 8.2497 122.2052 54.0399 32.1509 175.2829 67 I 4.1195 8.2009 127.3318 61.5369 37.5442 175.9054 68 V 3.9568 8.8307 128.6973 65.1248 31.6077 175.3817 69 Y 4.2702 7.9668 118.2197 57.2382 39.1396 174.7311 70 R 4.1577 8.6411 121.9982 56.1552 29.4896 176.6942 71 K 4.6858 8.5221 121.0912 56.3553 32.0327 175.8703 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 A 8.26 4.09 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 2 K 8.00 3.61 0.00 2.05 2.00 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.54 7.81 3 E 9.26 4.21 0.00 1.93 2.12 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 0.00 2.33 2.38 0.00 4 K 8.29 4.60 0.00 1.70 1.72 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.32 7.81 5 D 8.04 4.46 0.00 2.62 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 T 7.27 4.46 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 1.20 0.00 0.00 7 I 8.04 4.73 1.84 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 1.31 0.96 0.88 0.00 0.00 8 R 8.16 5.22 0.00 1.57 1.77 0.00 3.46 0.00 0.00 3.80 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 9 T 7.56 3.83 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 10 E 8.28 4.85 0.00 2.15 1.90 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 2.16 2.18 0.00 11 G 7.85 4.63 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 12 V 8.42 5.00 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 0.96 0.00 0.00 0.96 0.00 0.00 13 V 8.85 3.47 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 0.80 0.00 0.00 0.81 0.00 0.00 14 T 9.04 4.36 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 1.24 0.00 0.00 15 E 7.90 4.41 0.00 2.07 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 2.33 2.44 0.00 16 A 8.74 5.07 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 17 L 7.06 4.06 0.00 1.50 1.55 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.29 0.00 2.12 1.99 0.00 3.82 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 1.91 1.93 0.00 19 N 8.61 3.85 0.00 2.84 2.87 0.00 0.00 7.16 7.35 0.00 0.00 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 A 7.39 3.83 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 21 T 6.43 4.74 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 1.20 0.00 0.00 22 F 8.53 5.03 0.00 3.03 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 23 R 9.18 3.90 0.00 1.91 2.00 0.00 3.34 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 24 V 6.77 3.14 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 0.96 0.00 0.00 25 K 9.17 4.58 0.00 1.82 1.69 0.00 1.75 0.00 0.00 1.60 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 26 L 8.65 4.42 0.00 1.78 1.60 0.91 1.12 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 27 D 8.78 4.46 0.00 2.69 2.72 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 28 S 8.09 3.98 0.00 3.80 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 29 G 5.87 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 5.02 0.00 2.18 1.94 0.00 3.54 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 31 E 8.58 5.16 0.00 2.14 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 2.17 2.32 0.00 32 I 8.19 4.76 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 1.04 0.00 0.00 33 L 8.48 3.49 0.00 1.67 1.86 0.94 1.12 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 34 A 7.50 4.36 1.52 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 0.00 0.00 35 Y 7.84 5.40 0.00 3.05 3.05 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 36 I 8.24 4.29 2.01 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.96 0.00 0.00 37 S 8.46 4.01 0.00 3.88 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 38 G 9.42 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 39 K 8.12 3.84 0.00 1.72 1.69 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 40 M 7.94 3.94 0.00 1.97 2.32 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 41 R 8.23 4.02 0.00 1.96 1.91 0.00 3.44 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 42 M 8.24 4.19 0.00 2.14 2.37 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 2.67 2.68 0.00 43 H 8.17 4.95 0.00 3.19 3.37 0.00 6.06 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.99 3.20 0.00 3.17 2.73 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 45 I 9.30 3.17 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.91 0.00 0.00 46 R 7.88 4.09 0.00 1.84 1.94 0.00 3.38 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 47 I 7.86 4.33 1.49 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.49 0.00 0.00 48 L 8.25 4.16 0.00 1.90 1.61 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.46 0.00 2.24 2.27 0.00 3.79 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 2.02 2.02 0.00 50 G 7.88 4.52 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 0.00 0.00 0.00 51 D 7.88 5.18 0.00 2.49 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 4.55 0.00 1.92 1.78 0.00 3.12 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 53 V 9.34 4.59 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 0.54 0.00 0.00 0.95 0.00 0.00 54 V 7.94 4.43 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 0.99 0.00 0.00 0.38 0.00 0.00 55 V 8.79 4.87 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 0.92 0.00 0.00 0.90 0.00 0.00 56 E 8.85 5.51 0.00 2.14 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 57 I 8.16 4.77 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 1.34 1.11 1.01 0.00 0.00 58 T 8.52 4.17 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 1.27 0.00 0.00 59 P 0.00 4.28 0.00 2.07 2.12 0.00 3.59 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 1.54 1.84 0.00 60 Y 7.78 4.67 0.00 3.01 3.01 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 0.00 0.00 0.00 61 D 8.64 4.68 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.33 0.00 2.23 2.19 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 63 T 8.20 4.08 4.59 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 1.24 0.00 0.00 64 R 7.91 4.91 0.00 1.75 1.91 0.00 3.28 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 65 G 8.41 4.18 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 0.00 66 R 8.25 4.36 0.00 1.22 1.53 0.00 3.14 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.00 67 I 8.20 4.12 1.82 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 1.06 0.87 0.86 0.00 0.00 68 V 8.83 3.96 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 0.85 0.00 0.00 1.07 0.00 0.00 69 Y 7.97 4.27 0.00 2.88 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 70 R 8.64 4.16 0.00 1.90 1.96 0.00 3.16 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 71 K 8.52 4.69 0.00 1.92 1.85 0.00 1.71 0.00 0.00 0.61 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81