NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4101 8.1633 120.3508 55.2905 33.9118 176.6303 2 L 4.1535 7.9759 113.9426 53.8019 41.5450 177.5013 3 T 4.0121 8.1145 111.2896 63.6782 69.9837 176.1641 4 R 3.5992 7.9737 122.0771 59.1311 29.8766 176.4943 5 F 3.1303 7.6074 114.1122 56.7337 38.7996 176.3650 6 L 4.5333 7.0860 123.5358 52.3773 41.0270 176.1523 7 G 4.1751 8.2369 108.7693 42.2488 0.0000 168.4109 8 P 4.1340 0.0000 0.0000 65.8911 31.1004 178.3334 9 R 3.8065 7.9969 116.2516 60.2671 30.0090 177.9104 10 Y 4.0109 8.0400 115.4728 61.1807 37.7667 178.8066 11 R 3.9258 8.0488 119.2276 59.7879 30.3224 178.6551 12 Q 4.0125 8.2037 117.7531 59.2068 28.6460 178.4030 13 L 4.0665 8.7556 120.5136 57.6878 41.4550 179.0715 14 A 4.1918 8.2649 121.6204 55.5452 18.6548 179.7991 15 R 4.0437 8.2198 116.6284 59.6241 29.9812 178.8842 16 N 4.2374 7.9337 114.8571 55.8480 38.7192 176.5298 17 W 4.5651 7.9278 118.6233 56.6914 29.1323 178.7739 18 V 3.6344 7.7929 121.7974 64.7049 31.0885 176.5198 19 P 4.3401 0.0000 0.0000 65.2297 31.1446 178.6136 20 T 3.8229 7.8873 113.7213 66.5396 68.3055 176.0346 21 A 4.0741 7.8713 121.7460 55.7695 18.5619 178.9262 22 Q 4.0551 8.7097 117.8790 59.6982 29.0279 178.5819 23 L 4.0658 8.4068 119.7240 57.9742 41.7879 179.7194 24 W 4.3662 8.8467 118.3862 58.9348 28.9185 178.3843 25 G 3.7830 8.4941 105.8612 46.7937 0.0000 175.9125 26 A 4.0416 7.8795 122.6533 54.9534 18.5732 179.7847 27 V 3.5356 8.2159 117.2719 66.1280 31.5102 178.4175 28 G 3.6677 7.9253 105.2566 47.6217 0.0000 175.2383 29 A 4.2196 8.0569 122.7160 54.8562 18.9766 179.4962 30 V 3.7525 7.4618 115.8978 66.4137 31.5231 178.6403 31 G 3.6147 8.0535 104.9198 47.6298 0.0000 175.5841 32 L 4.0298 7.6330 121.7178 57.9286 42.1623 178.5652 33 V 3.8792 8.5866 118.4170 66.6708 31.1662 177.8812 34 W 4.2286 8.6022 126.9236 60.1926 30.7248 177.4220 35 A 3.5965 8.1989 118.9332 53.1503 18.0741 177.8069 36 T 4.2027 7.2871 105.2440 60.2837 69.9174 174.0885 37 D 4.2080 8.0349 120.1089 54.8608 38.2554 174.8755 38 W 4.4020 8.5191 128.1463 58.2237 31.6896 175.0621 39 R 3.9654 9.2383 125.4013 59.6351 29.3383 178.0454 40 L 3.9699 8.0823 119.8782 58.4871 42.4486 179.0795 41 I 3.8970 7.1698 118.2506 63.8764 37.5938 177.7326 42 L 4.0701 8.5892 120.1044 58.4247 41.2928 179.3691 43 D 4.5249 7.6225 115.9293 57.4990 40.7974 178.9670 44 W 4.0084 8.1080 127.5492 58.7426 30.9119 176.9562 45 V 3.7095 7.8145 119.5497 62.4251 31.1841 173.2352 46 P 4.1964 0.0000 0.0000 66.1150 30.8551 176.6724 47 Y 4.3826 7.7436 117.2445 57.5015 40.5595 175.6879 48 I 3.2146 7.1974 119.2490 62.4438 34.5606 174.2696 49 N 4.8186 7.0761 117.6867 52.8594 37.9887 175.2855 50 G 4.0326 7.6049 100.6283 46.1533 0.0000 173.6622 51 K 4.5048 7.7347 116.5519 59.2655 33.7713 182.1062 52 F 2.5838 8.7428 119.2992 58.5793 42.0142 175.7886 53 K 4.2065 8.9178 128.0333 55.1722 31.3237 178.7054 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 8.16 4.41 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 2 L 7.98 4.15 0.00 1.86 1.75 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.11 4.01 4.21 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 1.20 0.00 0.00 4 R 7.97 3.60 0.00 1.52 1.71 0.00 2.93 0.00 0.00 2.80 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 5 F 7.61 3.13 0.00 3.01 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 6 L 7.09 4.53 0.00 1.70 1.60 0.92 0.66 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 7 G 8.24 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 8 P 0.00 4.13 0.00 2.19 2.12 0.00 3.71 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 2.16 2.21 0.00 9 R 8.00 3.81 0.00 1.77 1.68 0.00 3.07 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 0.00 10 Y 8.04 4.01 0.00 3.41 3.21 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 11 R 8.05 3.93 0.00 2.00 2.14 0.00 3.14 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 12 Q 8.20 4.01 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 13 L 8.76 4.07 0.00 1.89 1.81 1.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.26 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 4.04 0.00 2.05 1.98 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 N 7.93 4.24 0.00 2.65 2.40 0.00 0.00 7.13 7.24 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 17 W 7.93 4.57 0.00 3.42 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.63 2.32 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 0.89 0.00 0.00 0.97 0.00 0.00 19 P 0.00 4.34 0.00 2.14 2.14 0.00 3.72 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 2.06 2.16 0.00 20 T 7.89 3.82 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 0.93 0.00 0.00 21 A 7.87 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.71 4.06 0.00 2.12 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 23 L 8.41 4.07 0.00 2.17 2.00 0.98 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 24 W 8.85 4.37 0.00 3.50 3.13 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 0.00 0.00 0.00 0.00 25 G 8.49 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.54 1.71 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 0.66 0.00 0.00 0.70 0.00 0.00 28 G 7.93 3.67 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 0.00 0.00 0.00 29 A 8.06 4.22 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.75 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 0.96 0.00 0.00 0.99 0.00 0.00 31 G 8.05 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.03 0.00 1.88 1.95 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.59 3.88 2.36 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 1.13 0.00 0.00 1.17 0.00 0.00 34 W 8.60 4.23 0.00 3.32 3.38 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 35 A 8.20 3.60 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.29 4.20 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 1.04 0.00 0.00 37 D 8.03 4.21 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.52 4.40 0.00 3.48 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 39 R 9.24 3.97 0.00 2.08 2.05 0.00 3.33 0.00 0.00 3.33 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 40 L 8.08 3.97 0.00 1.59 1.11 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.17 3.90 1.82 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.09 0.76 0.00 0.00 42 L 8.59 4.07 0.00 1.85 1.82 0.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.62 4.52 0.00 2.85 2.81 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 44 W 8.11 4.01 0.00 3.54 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 45 V 7.81 3.71 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 0.91 0.00 0.00 1.03 0.00 0.00 46 P 0.00 4.20 0.00 2.14 2.14 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 47 Y 7.74 4.38 0.00 2.98 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 48 I 7.20 3.21 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.75 0.97 0.00 0.00 49 N 7.08 4.82 0.00 2.74 2.66 0.00 0.00 6.83 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.60 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.73 4.50 0.00 1.72 1.78 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.40 7.81 52 F 8.74 2.58 0.00 3.06 3.17 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 53 K 8.92 4.21 0.00 1.81 1.62 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.38 1.05 7.81