NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5204 8.3349 116.8097 58.1299 64.5303 173.1780 8 D 4.6982 8.4013 121.9421 52.7804 42.0892 174.3128 9 F 5.3042 8.7605 115.4694 55.4213 42.0836 173.7077 10 V 4.5495 8.8116 112.4392 59.5529 35.1232 174.8626 11 V 4.8307 8.6079 124.1195 61.3723 33.6776 174.3987 12 I 4.8755 9.0329 128.8279 59.4189 40.3944 174.1922 13 K 4.9876 9.0921 129.3000 54.2837 34.2365 175.1252 14 A 4.3874 8.8137 130.5103 52.1687 19.1873 177.3706 15 L 4.6975 8.8587 122.1089 54.4296 42.6430 175.8028 16 E 4.6571 7.6606 115.7418 55.0365 32.2857 174.3362 17 D 4.4216 8.3380 119.1875 55.5005 41.3721 177.1385 18 G 3.8932 8.7104 109.8820 45.3823 0.0000 173.9770 19 V 3.9102 7.4762 119.9071 63.0289 32.8900 174.5509 20 N 5.3260 9.0721 124.1984 51.4778 41.6733 173.5618 21 V 4.4557 8.7111 124.7974 61.5174 33.1429 174.0638 22 I 4.6040 8.6548 130.3237 59.4072 39.4139 175.1690 23 G 4.1089 8.8134 115.1939 45.0688 0.0000 172.6162 24 L 5.4228 8.8054 126.3992 53.5271 43.8465 176.3278 25 T 4.6199 8.7216 114.3616 61.6357 69.2731 174.4312 26 R 4.3811 7.8255 126.3882 56.8763 30.9402 175.0186 27 G 3.7537 8.6441 109.0891 44.2273 0.0000 173.1355 28 A 4.1177 8.6248 121.2743 54.2574 18.7864 177.8626 29 D 4.8298 7.8359 114.5388 53.2029 42.5829 176.0440 30 T 4.7404 8.3118 118.9078 62.0239 70.7450 173.2653 31 R 4.6531 8.9505 122.3875 54.5287 33.8628 173.9930 32 F 5.2598 8.5886 118.8301 57.7846 38.9555 175.4876 33 H 4.8974 9.1695 119.6066 56.8215 30.1593 174.7215 34 H 4.7990 7.6937 117.2803 54.9668 33.3486 172.2219 35 S 4.7987 8.2171 119.2037 56.4103 64.6300 172.5928 36 E 4.3035 9.0130 130.3769 55.0945 30.6363 174.7399 37 K 4.8015 8.5958 128.9940 55.3768 33.4537 175.3795 38 L 4.9984 9.0153 127.6527 53.2247 44.7027 175.9303 39 D 5.0478 9.3800 123.1878 52.0499 43.8319 175.8592 40 K 3.9133 8.9466 121.7216 58.5874 32.2554 176.4206 41 G 4.0592 9.0335 115.6240 45.2771 0.0000 173.6295 42 E 4.2138 8.1855 119.3836 56.3086 30.7315 176.1099 43 V 4.9185 8.2994 122.3851 61.0090 34.1455 174.2967 44 L 4.7608 9.0006 129.4871 53.2470 44.9838 174.8330 45 I 5.0040 8.4929 126.3970 59.6231 39.1094 174.7217 46 A 4.7272 9.1495 129.3888 50.1018 22.0043 175.2863 47 Q 4.7941 8.6207 120.6326 55.0371 30.3518 175.8398 48 F 4.7369 8.4297 120.4309 58.0200 39.9318 175.0388 49 T 4.6903 8.8207 111.2143 60.2087 71.9074 173.1445 50 E 4.0072 8.9351 121.4127 59.4115 29.7768 177.2940 51 H 4.5233 8.1754 114.1376 56.3991 29.8697 174.0875 52 T 5.1272 8.2799 116.8190 62.0411 70.6346 174.5753 53 S 4.9243 8.9994 120.2572 58.1042 64.9406 173.5663 54 A 5.1178 7.9170 121.6855 51.0069 22.6230 175.0433 55 I 4.9341 8.5908 121.0385 59.3133 40.6287 174.7277 56 K 4.5424 8.9810 128.2823 54.4807 34.7821 174.5732 57 V 4.7450 8.3815 126.9406 61.1290 33.4389 174.4267 58 R 4.4684 8.9610 128.6030 55.2588 32.6410 174.3646 59 G 4.1180 9.0424 111.5647 43.4944 0.0000 172.6499 60 K 4.5070 9.6179 121.2056 56.2105 33.0822 175.6082 61 A 5.1185 8.7590 127.7958 50.8738 23.3807 173.7108 62 Y 4.8797 9.0443 121.8903 56.2163 40.8233 174.6217 63 I 5.1129 8.3182 126.7348 59.5621 41.4775 174.2602 64 Q 5.0189 9.1173 125.2892 54.3584 31.9397 174.8573 65 T 4.8845 8.5393 113.5396 59.2965 72.2319 174.7253 66 R 3.7665 8.5075 120.4858 59.3144 29.9202 176.5522 67 H 4.6432 8.0085 112.8973 55.2288 29.5799 173.7033 68 G 3.7168 7.2386 105.7206 44.0410 0.0000 172.8861 69 V 4.5001 7.9943 119.2257 61.9091 33.2204 176.2749 70 I 4.5970 8.2910 124.7893 59.7593 42.0223 173.0615 71 E 5.1144 8.5197 125.3076 54.5130 32.5672 175.8525 72 S 4.6783 8.6531 118.8184 57.6745 65.4001 172.8689 73 E 4.8703 8.5142 119.8520 54.4045 32.7826 176.2294 74 G 3.7218 8.7238 111.5575 45.8843 0.0000 173.3442 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 7 S 8.33 4.52 0.00 3.98 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 8 D 8.40 4.70 0.00 2.93 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 8.76 5.30 0.00 3.01 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 10 V 8.81 4.55 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 0.47 0.00 0.00 0.88 0.00 0.00 11 V 8.61 4.83 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 1.18 0.00 0.00 1.17 0.00 0.00 12 I 9.03 4.88 1.87 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 1.09 0.56 0.92 0.00 0.00 13 K 9.09 4.99 0.00 1.86 1.77 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.81 4.39 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 15 L 8.86 4.70 0.00 1.66 1.71 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.66 0.00 2.03 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 2.19 2.33 0.00 17 D 8.34 4.42 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.48 3.91 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 0.97 0.00 0.00 1.00 0.00 0.00 20 N 9.07 5.33 0.00 2.58 2.58 0.00 0.00 6.40 7.34 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 21 V 8.71 4.46 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 0.99 0.00 0.00 0.90 0.00 0.00 22 I 8.65 4.60 1.36 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.41 -0.14 0.00 0.00 23 G 8.81 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 24 L 8.81 5.42 0.00 1.90 1.73 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.72 4.62 4.31 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 1.36 0.00 0.00 26 R 7.83 4.38 0.00 1.93 1.97 0.00 3.22 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.64 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.12 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 29 D 7.84 4.83 0.00 2.69 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 30 T 8.31 4.74 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 1.27 0.00 0.00 31 R 8.95 4.65 0.00 1.79 1.96 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 32 F 8.59 5.26 0.00 2.89 2.89 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 0.00 0.00 0.00 33 H 9.17 4.90 0.00 3.15 3.50 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 7.69 4.80 0.00 3.30 3.09 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 8.22 4.80 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 4.30 0.00 2.15 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 2.28 2.29 0.00 37 K 8.60 4.80 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.59 7.81 38 L 9.02 5.00 0.00 1.56 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.38 5.05 0.00 2.54 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 40 K 8.95 3.91 0.00 1.76 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.42 7.81 41 G 9.03 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 0.00 0.00 0.00 42 E 8.19 4.21 0.00 2.05 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 2.32 2.34 0.00 43 V 8.30 4.92 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 0.79 0.00 0.00 0.94 0.00 0.00 44 L 9.00 4.76 0.00 1.74 1.45 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.00 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.68 0.00 0.00 46 A 9.15 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.62 4.79 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.43 4.74 0.00 3.04 2.96 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 49 T 8.82 4.69 4.30 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 1.29 0.00 0.00 50 E 8.94 4.01 0.00 1.93 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 1.97 2.25 0.00 51 H 8.18 4.52 0.00 3.27 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.28 5.13 4.37 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 1.36 0.00 0.00 53 S 9.00 4.92 0.00 3.87 4.09 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 54 A 7.92 5.12 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 55 I 8.59 4.93 1.85 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.83 0.00 0.00 56 K 8.98 4.54 0.00 1.71 1.37 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.32 7.81 57 V 8.38 4.74 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 0.81 0.00 0.00 0.90 0.00 0.00 58 R 8.96 4.47 0.00 1.84 1.69 0.00 3.12 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.04 4.12 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 0.00 0.00 0.00 60 K 9.62 4.51 0.00 1.89 1.72 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.76 5.12 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 Y 9.04 4.88 0.00 3.03 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 63 I 8.32 5.11 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 1.21 0.60 0.91 0.00 0.00 64 Q 9.12 5.02 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 65 T 8.54 4.88 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 1.16 0.00 0.00 66 R 8.51 3.77 0.00 1.60 1.78 0.00 3.20 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 67 H 8.01 4.64 0.00 3.17 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.24 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 69 V 7.99 4.50 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 0.22 0.00 0.00 0.83 0.00 0.00 70 I 8.29 4.60 1.80 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 1.19 1.28 0.85 0.00 0.00 71 E 8.52 5.11 0.00 1.83 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 2.18 2.26 0.00 72 S 8.65 4.68 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.51 4.87 0.00 1.82 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 2.21 2.28 0.00 74 G 8.72 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