NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5460 0.0000 0.0000 62.6108 33.6181 174.7524 2 M 5.3467 8.6419 120.8744 53.3206 35.1552 173.4341 3 I 4.8281 9.1505 124.8203 59.4536 40.9623 174.4681 4 S 5.3294 8.8576 119.9584 56.7150 66.2488 173.0166 5 C 4.7869 8.9259 121.4139 57.9684 34.4193 172.2805 6 D 5.3816 8.8515 127.0547 53.7372 41.6958 175.7717 7 M 4.3092 8.8260 119.6251 53.8723 35.0903 174.2652 8 R 4.3217 7.4863 118.2891 56.0414 30.8013 176.5889 9 Y 4.6057 7.7738 120.1258 58.6963 38.2107 176.1181 10 G 4.0425 9.2721 109.3925 45.9499 0.0000 174.9779 11 R 4.2599 7.6823 119.6984 55.9221 30.9218 177.1534 12 T 4.2095 8.8473 112.7985 61.4744 70.8535 175.4563 13 D 4.3939 8.6594 121.7127 57.6639 40.8317 178.9801 14 E 3.9621 8.1645 118.4262 59.7372 29.5350 179.3548 15 Q 4.0557 8.2266 117.8793 58.8682 28.6322 179.0654 16 K 4.0451 8.0721 119.6738 59.4823 32.0887 179.7015 17 R 3.9503 8.4000 118.4680 59.0081 29.9402 178.9449 18 A 4.0019 8.1568 120.8468 54.8172 18.2511 179.4834 19 L 3.8476 8.1558 119.2343 58.3261 42.2165 179.4052 20 S 3.7677 8.4342 114.2635 61.2028 62.9610 176.0089 21 A 4.0368 8.1697 124.6851 54.8501 18.0914 179.8835 22 G 3.4316 7.9368 103.8651 47.9872 0.0000 175.9042 23 L 3.8472 7.9042 122.4836 57.2632 41.5194 179.6994 24 L 3.8747 8.0823 119.2880 57.5662 41.4114 179.5600 25 R 3.8261 7.9161 118.6111 59.6733 30.2149 179.1203 26 V 3.7658 7.8368 112.1602 64.3753 31.4055 178.7378 27 I 3.7162 7.9191 119.8402 64.1923 36.8789 178.3909 28 S 4.2636 8.1335 115.4454 60.9760 62.0460 175.8271 29 E 3.9361 8.1742 119.9529 59.5975 29.2881 178.9530 30 A 4.2281 7.6895 119.1144 54.1083 18.9012 178.7143 31 T 4.3843 8.1538 106.1739 60.9234 70.1970 176.0435 32 G 3.9529 8.4960 109.4462 45.3836 0.0000 173.6452 33 E 4.1469 7.8330 120.5052 55.1921 30.3196 175.0634 34 P 4.4471 0.0000 0.0000 62.0525 32.0352 177.3301 35 R 4.0859 8.6292 115.9160 59.4855 29.2193 178.6604 36 E 4.0648 8.1644 116.4910 58.6223 29.5208 177.0701 37 N 4.7313 8.3575 114.9582 53.4815 38.8617 175.4021 38 I 4.6895 7.2635 118.5327 59.2654 38.8993 174.3394 39 F 4.5909 9.2420 129.5376 57.6752 40.8810 173.7004 40 F 5.5120 7.5484 126.3686 56.3272 42.4186 173.9156 41 V 3.9491 8.4677 124.9012 59.6988 34.4828 174.2659 42 I 4.4004 7.7178 124.4889 59.8096 38.8758 175.0358 43 R 4.4819 8.8328 126.5059 54.6176 32.1016 175.1020 44 E 5.4362 7.9294 123.2795 54.1950 32.5608 175.2112 45 G 4.3479 7.8023 107.3061 44.9146 0.0000 172.7002 46 S 4.9906 9.1757 116.6199 58.1223 63.9376 175.9747 47 G 3.8285 9.3940 111.8690 49.0104 0.0000 175.9848 48 I 3.8972 7.8717 118.4205 63.2499 38.0529 176.0638 49 N 4.5815 8.2804 115.9703 54.2859 38.9094 174.7436 50 F 4.6307 8.5336 118.4245 55.2821 41.4863 174.3442 51 V 4.7846 8.4214 124.3833 61.0497 33.3781 174.3408 52 E 4.6570 8.6915 126.6278 56.0208 32.3714 175.8902 53 H 3.7572 9.8929 119.1053 56.8687 26.3169 175.9509 54 G 4.0239 8.7614 106.1878 45.3478 0.0000 173.8867 55 E 4.8212 7.9441 118.6626 54.3891 32.9978 174.9917 56 H 4.9911 8.7320 118.7109 55.9295 29.6438 175.0133 57 L 4.6860 8.4768 121.9350 53.2220 42.7733 175.1362 58 P 4.6224 0.0000 0.0000 62.2611 32.4580 175.8106 59 D 4.4953 8.6487 120.3056 54.7127 41.2961 175.9018 60 Y 4.1444 8.5856 123.9419 57.2707 39.2079 175.0015 61 V 4.0868 7.5430 120.9407 58.6929 32.9265 174.1455 62 P 4.3248 0.0000 0.0000 62.9887 31.1402 176.2524 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 P 0.00 4.55 0.00 2.12 2.06 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 2 M 8.64 5.35 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 3 I 9.15 4.83 1.99 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 0.87 0.00 0.00 4 S 8.86 5.33 0.00 3.85 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 5 C 8.93 4.79 0.00 3.29 2.88 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 6 D 8.85 5.38 0.00 2.70 2.77 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 0.00 0.00 0.00 7 M 8.83 4.31 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 8 R 7.49 4.32 0.00 1.44 1.85 0.00 3.33 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.00 9 Y 7.77 4.61 0.00 2.93 2.88 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 10 G 9.27 4.04 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 0.00 0.00 0.00 11 R 7.68 4.26 0.00 1.67 1.80 0.00 2.28 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 12 T 8.85 4.21 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 D 8.66 4.39 0.00 2.75 2.78 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 14 E 8.16 3.96 0.00 2.02 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 0.00 2.41 2.42 0.00 15 Q 8.23 4.06 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 16 K 8.07 4.05 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.70 7.81 17 R 8.40 3.95 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 18 A 8.16 4.00 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 19 L 8.16 3.85 0.00 1.89 1.95 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.43 3.77 0.00 4.22 4.38 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 21 A 8.17 4.04 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 22 G 7.94 3.43 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 0.00 23 L 7.90 3.85 0.00 1.12 1.31 0.40 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.08 3.87 0.00 1.75 1.67 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.92 3.83 0.00 2.01 2.06 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 V 7.84 3.77 2.04 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 0.89 0.00 0.00 0.96 0.00 0.00 27 I 7.92 3.72 1.82 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 1.49 0.82 0.89 0.00 0.00 28 S 8.13 4.26 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.94 0.00 2.12 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 2.34 2.46 0.00 30 A 7.69 4.23 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 31 T 8.15 4.38 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 1.25 0.00 0.00 32 G 8.50 3.95 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 0.00 0.00 0.00 33 E 7.83 4.15 0.00 2.06 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 2.33 2.40 0.00 34 P 0.00 4.45 0.00 2.49 2.18 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 35 R 8.63 4.09 0.00 2.01 2.24 0.00 2.96 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 36 E 8.16 4.06 0.00 1.98 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 0.00 2.33 2.41 0.00 37 N 8.36 4.73 0.00 2.81 2.91 0.00 0.00 6.74 7.49 0.00 0.00 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 I 7.26 4.69 2.00 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 1.12 0.77 0.89 0.00 0.00 39 F 9.24 4.59 0.00 3.22 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 40 F 7.55 5.51 0.00 2.67 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 41 V 8.47 3.95 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 0.76 0.00 0.00 0.84 0.00 0.00 42 I 7.72 4.40 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.36 0.76 0.00 0.00 43 R 8.83 4.48 0.00 1.82 1.78 0.00 3.25 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 44 E 7.93 5.44 0.00 1.30 1.12 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 2.06 1.93 0.00 45 G 7.80 4.35 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 0.00 46 S 9.18 4.99 0.00 4.06 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 47 G 9.39 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.87 3.90 1.94 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 1.44 0.79 0.99 0.00 0.00 49 N 8.28 4.58 0.00 2.99 2.57 0.00 0.00 6.77 7.58 0.00 0.00 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 F 8.53 4.63 0.00 3.25 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 51 V 8.42 4.78 2.02 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 0.83 0.00 0.00 0.62 0.00 0.00 52 E 8.69 4.66 0.00 2.07 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 2.31 2.45 0.00 53 H 9.89 3.76 0.00 3.32 3.40 0.00 5.72 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 54 G 8.76 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 55 E 7.94 4.82 0.00 2.03 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 2.25 2.41 0.00 56 H 8.73 4.99 0.00 3.07 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.48 4.69 0.00 1.82 1.64 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.62 0.00 2.09 2.08 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 D 8.65 4.50 0.00 2.71 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 60 Y 8.59 4.14 0.00 2.87 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 61 V 7.54 4.09 1.93 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 0.73 0.00 0.00 0.76 0.00 0.00 62 P 0.00 4.32 0.00 2.03 2.05 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.41 0.00