NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4341 8.3044 118.1943 54.7700 32.6585 175.2067 2 V 3.3922 8.5015 119.3034 65.1995 31.5266 175.0559 3 I 4.3320 7.9151 126.8844 59.4788 38.5949 174.7113 4 A 4.5497 8.8620 129.1499 50.8824 20.3879 178.1628 5 T 3.8703 8.5465 116.1592 67.2058 68.2183 176.6164 6 D 4.5499 8.0321 118.3888 56.6749 40.9664 177.4935 7 D 4.5887 8.1108 118.2457 55.4504 41.3964 176.6365 8 L 4.7714 8.0543 119.5552 55.4366 44.2855 176.2003 9 E 5.2556 7.9292 113.9867 55.3228 32.6969 174.5983 10 T 4.7858 9.0187 110.4912 59.9164 73.0295 173.1035 11 T 4.2771 8.6207 118.7337 64.3277 69.2199 173.6092 12 C 4.1761 8.7167 127.2297 59.1878 31.9056 172.9614 13 P 4.3497 0.0000 0.0000 65.2353 31.5055 177.3941 14 N 4.4537 8.2971 116.4855 55.8921 39.0563 175.0423 15 C 4.5379 7.9351 110.0155 56.9850 30.6823 173.4417 16 N 4.2017 9.1574 117.7884 54.8656 37.3272 174.8339 17 G 4.0705 8.4799 105.0323 44.6656 0.0000 175.5964 18 S 4.0984 7.5745 114.2640 59.3856 63.4317 175.7827 19 G 3.9550 8.4081 107.6618 45.3404 0.0000 172.5796 20 R 5.0336 7.8060 117.4328 54.3286 33.8483 175.4620 21 E 4.6370 9.0978 120.4293 54.3181 29.4430 174.0907 22 E 4.0916 7.7596 118.2869 55.7104 30.5181 175.6590 23 P 4.7697 0.0000 0.0000 62.7012 31.9829 175.0464 24 E 4.7515 7.7799 118.3058 54.0300 32.1745 173.9521 25 P 4.7196 0.0000 0.0000 62.4831 32.3153 175.8596 26 C 4.2255 8.5677 121.2157 58.9892 31.7845 173.0942 27 P 4.3797 0.0000 0.0000 64.8320 31.3500 177.5597 28 K 4.1364 8.0766 119.0588 58.2525 32.4904 176.8395 29 C 4.7014 7.8629 110.4263 56.6425 30.2001 173.3761 30 L 3.7321 9.0340 120.2564 56.1995 40.5478 175.3395 31 G 4.0195 8.4878 103.9867 44.7809 0.0000 175.3774 32 K 3.9927 7.9128 118.9516 57.4208 32.5207 178.4560 33 G 4.0050 9.2745 106.0538 45.2389 0.0000 172.6693 34 V 5.1050 7.2417 110.7896 59.6569 35.9580 174.0019 35 I 4.6781 8.8963 116.1081 58.9755 41.1270 174.3963 36 L 4.9216 8.3617 122.6058 54.4578 42.9248 177.1339 37 T 4.3358 8.3722 113.0256 60.7241 70.8767 175.5934 38 A 3.9685 8.6194 122.4523 55.2316 18.2580 179.3999 39 Q 3.9989 8.1195 117.7225 59.3555 29.1841 178.6903 40 G 3.5947 8.0151 106.6143 47.8996 0.0000 175.6232 41 S 4.1458 8.2875 115.7690 61.3141 62.3764 176.3690 42 T 3.8989 8.0319 118.5048 66.6365 68.2160 176.7035 43 L 4.0981 7.9594 120.9040 57.6686 41.7070 179.3102 44 L 4.0090 8.1770 120.4381 58.4325 42.0567 178.4572 45 H 4.1451 8.6075 118.5095 59.0377 29.8627 177.0533 46 F 4.2022 8.2275 122.0545 61.3525 39.2327 177.0825 47 I 3.4419 7.8793 119.2770 64.3907 36.8848 178.4209 48 K 3.8209 8.0187 119.1401 59.5306 31.6590 179.2841 49 K 3.6547 7.6100 118.5858 59.3640 32.1217 177.8961 50 H 4.4068 7.5397 114.4620 57.1440 29.2208 176.7317 51 I 4.0469 7.8416 119.7112 60.8464 37.4565 176.8967 52 H 4.1993 7.9951 121.7842 56.8845 28.3535 174.3977 53 E 4.1746 7.9152 121.9733 56.2092 29.4912 175.3519 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 8.30 4.43 0.00 2.14 2.15 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 2.46 2.54 0.00 2 V 8.50 3.39 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.92 4.33 1.87 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 0.77 0.91 0.00 0.00 4 A 8.86 4.55 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 5 T 8.55 3.87 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 6 D 8.03 4.55 0.00 2.62 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 7 D 8.11 4.59 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.77 0.00 1.74 1.68 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.93 5.26 0.00 2.01 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 2.34 2.31 0.00 10 T 9.02 4.79 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 11 T 8.62 4.28 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 12 C 8.72 4.18 0.00 3.04 2.82 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 13 P 0.00 4.35 0.00 2.08 2.09 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 14 N 8.30 4.45 0.00 2.66 2.84 0.00 0.00 6.84 7.65 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 15 C 7.94 4.54 0.00 3.20 3.12 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 0.00 0.00 0.00 16 N 9.16 4.20 0.00 2.87 2.91 0.00 0.00 7.42 8.02 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 17 G 8.48 4.07 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 0.00 0.00 0.00 18 S 7.57 4.10 0.00 3.94 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 19 G 8.41 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 20 R 7.81 5.03 0.00 1.78 1.80 0.00 3.27 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 21 E 9.10 4.64 0.00 1.89 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 2.19 2.24 0.00 22 E 7.76 4.09 0.00 2.00 1.89 0.00 0.00 0.00 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 2.30 0.00 23 P 0.00 4.77 0.00 2.17 2.12 0.00 3.72 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 1.93 1.97 0.00 24 E 7.78 4.75 0.00 2.00 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 2.22 2.35 0.00 25 P 0.00 4.72 0.00 2.17 2.05 0.00 3.77 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 1.99 1.95 0.00 26 C 8.57 4.23 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.08 2.10 0.00 3.72 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 2.02 2.07 0.00 28 K 8.08 4.14 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 C 7.86 4.70 0.00 3.25 3.08 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 0.00 0.00 0.00 0.00 30 L 9.03 3.73 0.00 1.76 1.73 0.92 1.11 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 31 G 8.49 4.02 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 0.00 0.00 0.00 32 K 7.91 3.99 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 33 G 9.27 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 34 V 7.24 5.11 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 0.74 0.00 0.00 0.93 0.00 0.00 35 I 8.90 4.68 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 1.35 1.35 0.91 0.00 0.00 36 L 8.36 4.92 0.00 1.56 1.64 0.94 0.93 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 37 T 8.37 4.34 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 38 A 8.62 3.97 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 39 Q 8.12 4.00 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.02 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 0.00 0.00 0.00 41 S 8.29 4.15 0.00 3.92 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 0.00 42 T 8.03 3.90 4.41 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 1.20 0.00 0.00 43 L 7.96 4.10 0.00 1.76 1.77 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.18 4.01 0.00 1.86 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.61 4.15 0.00 3.31 3.39 0.00 5.64 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 46 F 8.23 4.20 0.00 3.15 3.26 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 47 I 7.88 3.44 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.89 0.89 0.00 0.00 48 K 8.02 3.82 0.00 1.81 1.79 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 49 K 7.61 3.65 0.00 1.60 1.78 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 1.27 7.81 50 H 7.54 4.41 0.00 2.77 3.13 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.84 4.05 1.91 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 1.48 0.52 0.97 0.00 0.00 52 H 8.00 4.20 0.00 3.21 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.92 4.17 0.00 1.92 1.81 0.00 0.00 0.00 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 2.28 0.00