NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4408 8.2893 120.3291 54.6382 33.4294 174.6562 2 Q 3.8330 8.4252 118.6018 55.5612 28.1958 170.7592 3 V 3.5683 8.7736 126.1183 62.1301 33.2184 176.9537 4 I 3.2074 8.2675 125.5332 60.9090 37.2980 172.7224 5 L 4.4266 7.6153 120.1539 55.0810 45.0443 173.8774 6 L 4.5172 8.2700 120.2504 55.1520 47.0563 174.7956 7 E 4.4505 8.0568 119.9826 53.8526 29.6966 172.8015 8 P 4.8843 0.0000 0.0000 64.6949 30.7924 178.6151 9 S 4.0901 10.2470 114.0111 58.4950 60.2177 169.9131 10 R 4.1687 7.7468 118.6895 56.0796 32.2890 173.7834 11 L 3.4287 9.2421 123.3608 55.7818 38.6894 176.5258 12 G 3.8670 8.1359 111.6626 46.6022 0.0000 169.5756 13 K 4.4635 8.3238 115.6927 57.2815 37.9436 176.8595 14 T 4.1344 7.8420 108.9263 61.9284 69.7364 173.2101 15 G 4.4978 8.2319 108.0335 45.4074 0.0000 172.9563 16 E 4.9356 8.2575 115.0468 54.9846 32.0972 176.6045 17 V 4.1757 8.0603 122.3777 60.5889 30.8746 176.1974 18 V 4.4822 7.2128 117.8539 61.9134 34.9514 174.8845 19 S 4.5705 8.3095 120.4491 55.7318 63.0267 173.6636 20 V 3.7026 8.3606 127.5412 66.5682 31.6045 176.9274 21 K 4.2449 7.7398 117.1048 56.2955 32.9424 177.6136 22 D 4.5841 8.4564 121.3228 54.3889 38.6618 177.6938 23 G 4.0993 7.9319 104.3153 46.3828 0.0000 172.0644 24 Y 4.4608 7.5215 116.9027 57.1735 36.6643 175.3458 25 A 4.2872 7.0790 125.4947 54.4871 20.1456 178.3422 26 R 4.1260 7.5426 118.5254 54.2262 27.9667 175.4339 27 N 4.2985 7.6966 118.1894 52.7523 43.0320 174.4750 28 W 5.1084 8.1053 124.6676 57.8534 37.4709 174.5699 29 L 4.3439 7.9138 120.3883 52.6382 40.3446 175.1870 30 I 4.3168 6.9875 117.6158 61.1565 44.6565 172.3028 31 P 4.8561 0.0000 0.0000 62.4682 31.5075 175.7795 32 Q 4.4009 7.6522 116.5834 55.8824 29.6119 175.7467 33 G 4.0635 8.5241 107.6516 45.4540 0.0000 175.8218 34 L 5.2967 7.4491 125.3950 54.2166 41.1203 175.8208 35 A 4.2211 8.8826 130.2081 54.3022 23.8415 178.4438 36 V 3.2791 8.7839 105.6068 62.1611 29.3729 169.9818 37 S 3.8978 8.5950 120.0571 58.3051 62.5757 170.8391 38 A 4.4216 7.9154 124.6426 52.5617 22.5405 175.9039 39 T 4.8380 7.8034 111.5537 60.8018 69.4580 173.5960 40 R 4.5038 8.4718 116.8606 56.3715 30.6221 176.8155 41 T 4.3477 7.5695 110.4218 61.0942 67.6073 174.9825 42 N 5.2445 7.6381 112.0126 53.7837 38.1555 175.3707 43 M 4.7446 7.5267 117.3200 52.6351 33.7086 174.7160 44 K 4.6462 8.9356 123.5800 57.2401 34.4424 173.4382 45 T 4.5068 7.8923 117.1245 63.1729 66.0036 171.6266 46 L 5.0511 7.2902 118.8486 54.1340 44.5933 174.4635 47 E 5.8620 8.0359 130.7753 57.4423 29.9751 177.3696 48 A 4.6182 6.8895 122.4367 50.1003 18.2667 176.2789 49 Q 4.7130 7.0759 114.0217 55.1225 31.2161 173.1369 50 L 4.3018 8.0680 113.1460 54.7462 44.4049 172.6358 51 R 4.2403 8.5670 127.9035 56.5354 33.5605 175.2282 52 S 4.0563 8.8019 115.1628 59.8960 63.3225 172.5307 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 8.29 4.44 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 Q 8.43 3.83 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 3 V 8.77 3.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 4 I 8.27 3.21 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 1.18 0.42 0.91 0.00 0.00 5 L 7.62 4.43 0.00 1.35 1.82 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.27 4.52 0.00 1.58 1.58 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.06 4.45 0.00 2.00 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 2.27 2.25 0.00 8 P 0.00 4.88 0.00 2.25 1.99 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 9 S 10.25 4.09 0.00 4.05 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 10 R 7.75 4.17 0.00 1.67 1.85 0.00 3.31 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 L 9.24 3.43 0.00 1.76 1.70 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.14 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.32 4.46 0.00 1.68 1.76 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.52 7.81 14 T 7.84 4.13 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 15 G 8.23 4.50 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 0.00 0.00 0.00 16 E 8.26 4.94 0.00 1.96 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 2.17 2.15 0.00 17 V 8.06 4.18 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 0.73 0.00 0.00 0.94 0.00 0.00 18 V 7.21 4.48 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 0.89 0.00 0.00 0.94 0.00 0.00 19 S 8.31 4.57 0.00 3.99 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 20 V 8.36 3.70 2.11 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 0.83 0.00 0.00 0.95 0.00 0.00 21 K 7.74 4.24 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 22 D 8.46 4.58 0.00 2.67 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 23 G 7.93 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 0.00 0.00 0.00 24 Y 7.52 4.46 0.00 2.90 3.09 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 25 A 7.08 4.29 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 26 R 7.54 4.13 0.00 1.75 1.83 0.00 3.26 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 N 7.70 4.30 0.00 1.64 1.57 0.00 0.00 6.96 7.68 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 28 W 8.11 5.11 0.00 3.24 3.33 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 29 L 7.91 4.34 0.00 1.73 1.55 0.83 1.03 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 30 I 6.99 4.32 1.82 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 1.43 0.32 0.85 0.00 0.00 31 P 0.00 4.86 0.00 2.16 2.08 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 32 Q 7.65 4.40 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 33 G 8.52 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 34 L 7.45 5.30 0.00 1.56 1.48 0.90 0.79 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 35 A 8.88 4.22 1.20 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 0.00 0.00 0.00 36 V 8.78 3.28 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 0.99 0.00 0.00 37 S 8.60 3.90 0.00 4.10 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 38 A 7.92 4.42 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 39 T 7.80 4.84 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 1.22 0.00 0.00 40 R 8.47 4.50 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 41 T 7.57 4.35 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 42 N 7.64 5.24 0.00 2.78 2.86 0.00 0.00 6.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 7.53 4.74 0.00 1.99 2.04 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 2.54 2.47 0.00 44 K 8.94 4.65 0.00 1.90 1.73 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.18 7.81 45 T 7.89 4.51 4.36 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 1.31 0.00 0.00 46 L 7.29 5.05 0.00 1.58 1.63 0.92 0.94 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 47 E 8.04 5.86 0.00 2.02 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 2.05 2.10 0.00 48 A 6.89 4.62 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 49 Q 7.08 4.71 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 50 L 8.07 4.30 0.00 1.58 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.57 4.24 0.00 1.79 1.76 0.00 3.41 0.00 0.00 3.15 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 52 S 8.80 4.06 0.00 3.98 3.81 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 0.00 0.00 0.00