NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7945 8.2076 120.4768 54.4512 43.2498 173.2629 9 F 5.2534 7.9503 115.2739 55.0574 41.4227 168.5307 10 V 4.7384 8.9704 111.7298 59.5704 36.3687 176.1489 11 V 4.8637 8.6508 123.0035 61.3110 33.8736 174.4045 12 I 4.9808 8.9326 128.7201 59.3220 40.6001 174.1685 13 K 4.9481 9.2674 128.4539 54.2759 34.7260 174.8216 14 A 4.4251 8.8287 130.3079 52.1723 18.7884 177.8593 15 V 4.2184 8.7033 122.8333 63.6097 32.6121 175.1900 16 E 4.7739 7.8583 117.4350 54.3538 33.5813 174.4001 17 D 4.5676 8.5030 119.7437 55.0607 41.3738 176.0844 18 G 3.9140 8.1936 105.3940 46.6571 0.0000 174.4866 19 V 4.0001 7.4083 119.1398 62.5543 33.1943 174.3124 20 N 5.3760 8.8825 123.5153 51.4235 41.8614 173.4405 21 V 4.4687 8.9788 124.4784 61.3785 33.6327 174.1959 22 I 4.6344 8.7773 129.9519 59.4019 39.5538 175.0446 23 G 4.1723 8.7726 114.8632 45.0782 0.0000 172.4103 24 L 5.5210 8.5945 124.7795 52.8071 44.2544 176.2098 25 T 4.5504 8.7698 114.4869 61.8964 69.3411 174.0382 26 R 4.3759 7.8829 126.3817 55.8459 30.8235 176.1345 27 G 3.7955 8.6724 111.9100 44.5745 0.0000 172.9493 28 T 3.9848 8.4488 109.6646 64.0561 69.1187 174.3196 29 D 4.7948 7.8125 120.0789 53.0289 42.5696 175.9932 30 T 4.7329 8.2461 117.6645 61.8798 70.9634 173.1670 31 K 4.6437 8.8080 124.9850 54.8654 37.0337 175.3958 32 F 5.1862 8.6282 120.0715 58.0778 38.7467 175.2626 33 H 4.9090 8.9879 119.4757 56.4459 30.1134 174.5708 34 H 4.7205 7.5979 117.0791 55.1546 33.2534 172.0353 35 S 4.7519 8.2886 119.5494 56.4256 64.8112 172.2939 36 E 4.4618 9.1237 129.3636 54.5801 31.0557 174.5389 37 K 4.7461 8.6029 128.7311 55.7608 33.4394 175.5137 38 L 4.9220 9.0732 127.2197 53.1617 44.7244 175.8098 39 D 4.8542 9.6689 123.4281 52.0241 43.7303 175.8328 40 K 3.7960 8.9539 121.2278 58.6479 32.2246 177.0038 41 G 4.0116 9.2429 115.3216 45.3697 0.0000 173.4188 42 E 4.3339 8.2343 119.7707 56.1382 30.9273 175.9927 43 V 4.9050 8.1934 120.8952 61.1450 34.8321 174.4021 44 I 4.5582 8.6820 126.5730 59.1785 41.2975 173.8949 45 I 4.8803 8.3936 129.1048 59.5920 39.0193 174.6470 46 A 4.6924 8.6795 129.1607 50.0945 21.7016 175.5684 47 Q 4.7859 8.5602 120.9296 54.9515 30.5669 175.5219 48 F 4.6588 8.5747 120.0245 57.7473 39.1827 175.4729 49 T 4.7048 8.9174 111.2108 60.4002 71.8351 174.2102 50 E 4.2132 8.8955 119.9361 59.4199 29.6212 177.9851 51 H 4.6479 7.8267 114.7648 55.8847 30.1232 174.3616 52 T 5.1590 8.1640 116.9676 61.9555 70.1180 174.0321 53 S 5.1161 8.8457 119.5053 57.9777 64.9409 173.4161 54 A 5.1298 7.9514 121.4326 51.1375 22.6346 175.1733 55 I 5.0256 8.5356 120.4032 59.3693 40.9115 174.6883 56 K 4.6095 8.8498 127.8084 54.4722 34.9062 174.6555 57 V 4.8263 8.3594 126.1903 61.0474 34.0476 174.4025 58 R 4.4740 8.9086 127.7703 55.1999 33.0051 174.0619 59 G 3.8790 9.0248 111.3728 43.7148 0.0000 172.3337 60 E 4.5215 8.7429 119.8551 55.7981 30.5001 175.0537 61 A 4.9890 8.8769 127.6870 50.7974 23.5606 174.1034 62 L 4.9641 8.9629 122.4658 53.3697 44.6509 175.2486 63 I 5.0594 8.6336 126.4506 59.6114 40.4198 174.3909 64 Q 5.2158 9.0340 125.5668 54.4883 31.9176 174.9532 65 T 4.9908 8.5155 112.3507 59.8350 72.2191 174.2269 66 A 3.8518 8.3780 122.8483 55.0507 18.3129 177.9439 67 Y 4.7937 7.3149 112.0694 57.9430 38.4709 174.3055 68 G 3.8005 7.4478 106.9755 44.1598 0.0000 172.7940 69 E 5.2953 8.4678 117.5180 55.2512 32.0649 175.5529 70 M 4.8164 8.7186 120.9193 54.1241 36.3745 173.1733 71 K 5.0624 8.6678 126.7455 54.7600 34.1455 175.5886 72 S 4.7497 8.8110 122.3218 57.6145 65.1864 172.9037 73 E 5.1444 8.4988 119.7643 54.1140 33.0951 176.2509 74 K 4.1331 8.5104 119.5859 57.2809 32.9865 176.8524 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 8 D 8.21 4.79 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 9 F 7.95 5.25 0.00 3.02 2.91 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 10 V 8.97 4.74 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 0.79 0.00 0.00 0.85 0.00 0.00 11 V 8.65 4.86 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 0.99 0.00 0.00 1.12 0.00 0.00 12 I 8.93 4.98 1.85 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 1.10 0.54 0.89 0.00 0.00 13 K 9.27 4.95 0.00 1.75 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 14 A 8.83 4.43 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 15 V 8.70 4.22 2.14 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 0.79 0.00 0.00 0.99 0.00 0.00 16 E 7.86 4.77 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 17 D 8.50 4.57 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 0.00 0.00 0.00 19 V 7.41 4.00 2.19 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 0.83 0.00 0.00 0.97 0.00 0.00 20 N 8.88 5.38 0.00 2.67 2.56 0.00 0.00 6.52 7.05 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 21 V 8.98 4.47 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 0.90 0.00 0.00 0.89 0.00 0.00 22 I 8.78 4.63 1.40 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.33 -0.24 0.00 0.00 23 G 8.77 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 24 L 8.59 5.52 0.00 1.91 1.71 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.77 4.55 4.32 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 1.38 0.00 0.00 26 R 7.88 4.38 0.00 1.92 2.02 0.00 3.23 0.00 0.00 3.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.67 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 3.98 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 29 D 7.81 4.79 0.00 2.70 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 30 T 8.25 4.73 4.26 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 1.28 0.00 0.00 31 K 8.81 4.64 0.00 1.75 1.80 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.46 7.81 32 F 8.63 5.19 0.00 2.92 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 33 H 8.99 4.91 0.00 3.15 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.60 4.72 0.00 3.32 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.29 4.75 0.00 3.73 3.59 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 0.00 36 E 9.12 4.46 0.00 2.15 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 2.23 2.27 0.00 37 K 8.60 4.75 0.00 1.78 1.66 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.44 7.81 38 L 9.07 4.92 0.00 1.53 1.50 0.90 0.93 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 39 D 9.67 4.85 0.00 2.54 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 40 K 8.95 3.80 0.00 1.83 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 G 9.24 4.01 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 0.00 0.00 0.00 42 E 8.23 4.33 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 43 V 8.19 4.90 2.06 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 0.76 0.00 0.00 0.92 0.00 0.00 44 I 8.68 4.56 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 1.17 1.44 0.87 0.00 0.00 45 I 8.39 4.88 1.62 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 1.09 0.55 0.29 0.00 0.00 46 A 8.68 4.69 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.56 4.79 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.57 4.66 0.00 3.02 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 49 T 8.92 4.70 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 1.29 0.00 0.00 50 E 8.90 4.21 0.00 1.77 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 2.30 2.39 0.00 51 H 7.83 4.65 0.00 3.39 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.16 5.16 4.32 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 1.27 0.00 0.00 53 S 8.85 5.12 0.00 3.89 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 5.13 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 55 I 8.54 5.03 1.84 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.59 0.82 0.00 0.00 56 K 8.85 4.61 0.00 1.76 1.40 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.36 4.83 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.91 4.47 0.00 1.86 1.66 0.00 3.12 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 59 G 9.02 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 60 E 8.74 4.52 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 61 A 8.88 4.99 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 62 L 8.96 4.96 0.00 1.74 1.52 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.63 5.06 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 1.23 0.54 0.92 0.00 0.00 64 Q 9.03 5.22 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 65 T 8.52 4.99 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 1.19 0.00 0.00 66 A 8.38 3.85 0.93 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 0.00 0.00 0.00 0.00 0.00 67 Y 7.31 4.79 0.00 3.01 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 68 G 7.45 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.47 5.30 0.00 1.86 1.88 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 2.24 2.29 0.00 70 M 8.72 4.82 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 71 K 8.67 5.06 0.00 1.77 1.68 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.47 7.81 72 S 8.81 4.75 0.00 4.00 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 73 E 8.50 5.14 0.00 1.83 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 2.20 2.21 0.00 74 K 8.51 4.13 0.00 1.86 1.79 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81