NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3859 8.2893 120.3482 55.3097 33.8018 176.3890 1 Q 4.0119 8.4037 115.4328 55.0312 29.4918 173.7264 2 P 4.3639 0.0000 0.0000 63.7597 32.8410 178.1997 3 D 4.6915 7.5490 116.1234 53.3326 42.1371 176.1592 4 A 4.2117 7.8809 124.0593 53.6114 19.2394 179.7990 5 I 3.8316 7.7607 108.9765 63.4581 37.4722 176.6449 6 N 4.6067 7.6317 114.9740 53.2114 39.0130 175.2815 7 A 4.1859 7.9494 122.6287 51.0466 19.0533 175.9234 8 P 4.4384 0.0000 0.0000 62.4301 32.1169 176.1021 9 V 4.3433 8.1718 119.7708 61.3415 33.5943 174.8276 10 T 4.6134 8.5031 123.6275 62.0207 70.1789 174.4259 11 C 5.0166 8.5592 122.4580 55.1938 44.1511 173.7320 12 C 4.9744 8.2946 118.4273 55.6536 41.7578 173.7398 13 Y 4.1299 8.3144 120.1041 58.2147 39.0674 174.7776 14 N 4.5498 7.5371 115.8476 52.4611 41.9157 172.7326 15 F 5.4692 8.0768 119.4087 55.5858 42.1907 175.4458 16 T 4.3343 8.9956 117.9795 62.2183 67.6659 174.0649 17 N 5.0143 8.7038 120.3720 52.2314 38.6812 174.0753 18 R 4.3486 7.3896 119.4128 53.8909 31.8483 175.5191 19 K 2.0000 7.8530 125.9129 55.5686 32.7905 175.5947 20 I 4.3417 6.2480 123.4386 58.9528 40.0090 176.0222 21 S 4.2244 8.2593 120.0757 58.5325 63.4047 176.1182 22 V 3.6636 8.3522 117.4341 64.5061 31.5278 178.4587 23 Q 4.0947 8.0533 117.2646 57.8761 28.8398 176.8930 24 R 4.4789 7.8421 115.7006 55.7631 31.5384 175.6779 25 L 4.5472 7.5713 119.0143 54.2147 42.3557 176.2418 26 A 4.7255 8.7223 125.3548 53.4384 21.2058 176.1256 27 S 4.7851 7.8553 108.0864 58.8497 66.2152 173.3127 28 Y 5.8315 8.3587 116.8163 57.6059 40.6510 173.9198 29 R 4.5095 8.2478 113.9137 55.2315 32.5777 174.0565 30 R 4.6383 8.6688 121.3107 55.7401 31.7983 175.7417 31 I 4.3818 8.8168 124.9532 60.3292 38.2942 176.4383 32 T 4.4718 8.4412 121.8783 62.5951 71.0349 174.3267 33 S 3.9690 8.1854 115.8350 58.5859 62.3901 174.9636 34 S 4.3095 8.6986 121.4947 60.0372 62.7099 174.9031 35 K 4.2233 8.0786 120.1622 57.5874 32.2664 176.1300 36 C 4.7513 8.0694 117.5371 54.3733 41.6861 172.0594 37 P 4.2023 0.0000 0.0000 65.7728 30.8334 176.0295 38 K 4.3508 7.1417 114.4041 55.4061 34.6908 174.2992 39 E 4.7200 8.8560 118.5114 56.6917 30.3388 175.9716 40 A 4.4281 7.9661 121.9213 51.5848 23.1167 174.9655 41 V 4.5998 8.0854 117.5962 61.1887 35.2236 174.3155 42 I 4.8262 8.4662 128.0143 59.6776 39.6397 174.4366 43 F 5.3248 9.1652 127.3230 56.2349 40.8120 174.8450 44 K 4.9499 9.0303 125.5395 55.3750 33.7533 175.7943 45 T 4.8036 9.0515 122.8002 60.9599 68.7618 175.5490 46 I 3.7453 8.7498 126.3740 64.1560 37.1932 177.4364 47 V 3.9782 7.8310 117.4933 61.9041 31.6040 175.3047 48 A 3.7951 8.0548 118.9324 53.3584 16.3328 177.7991 49 K 4.7261 7.6497 121.8130 54.8147 36.0041 174.9725 50 E 5.2825 8.8248 125.5127 54.8501 31.3849 175.3112 51 I 4.7504 9.0780 125.2416 59.6500 41.2690 173.9140 52 C 5.2347 8.9340 123.1050 56.2860 35.9018 172.5097 53 A 5.1167 8.9854 125.3521 49.6033 22.8778 174.7404 54 D 3.3700 7.9235 119.5683 52.8902 41.5100 175.3283 55 P 3.9820 0.0000 0.0000 65.5900 31.4139 177.9973 56 K 4.0233 8.1193 116.2797 58.3287 32.3638 177.7552 57 Q 4.2682 7.6219 119.4806 54.6207 30.5606 176.5273 58 K 3.8638 8.6348 125.4949 59.3881 32.3678 178.8810 59 W 4.3006 8.3202 116.5122 59.6951 27.6553 178.1854 60 V 2.7314 6.6059 118.2316 65.5845 30.9591 177.8558 61 Q 3.8404 7.8335 117.6337 59.1101 28.5424 178.6981 62 D 4.5512 8.7552 120.0393 57.2887 40.8861 178.9472 63 S 4.2793 8.0561 115.7988 61.2781 62.7354 176.6283 64 M 3.7397 7.5922 121.8579 58.3582 31.7138 177.9923 65 D 4.3621 7.8326 119.0292 58.1640 41.1247 179.1716 66 H 4.2651 8.1534 116.1613 58.8926 28.4479 177.9796 67 L 4.2047 7.7234 119.8144 57.6408 41.5710 178.5203 68 D 4.6392 8.4042 115.8233 54.5216 40.6529 177.2572 69 K 3.9737 7.7380 118.0504 55.5590 30.5232 176.0836 70 Q 3.5699 8.0831 125.5520 56.5796 30.4905 173.2708 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 0 M 8.29 4.39 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 1 Q 8.40 4.01 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 2 P 0.00 4.36 0.00 2.06 1.97 0.00 3.65 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 2.02 2.06 0.00 3 D 7.55 4.69 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.88 4.21 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 5 I 7.76 3.83 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 1.73 0.63 0.91 0.00 0.00 6 N 7.63 4.61 0.00 2.76 2.90 0.00 0.00 6.98 7.23 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 7 A 7.95 4.19 1.24 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 0.00 0.00 0.00 8 P 0.00 4.44 0.00 2.06 2.00 0.00 3.62 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 2.03 2.07 0.00 9 V 8.17 4.34 2.10 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 0.84 0.00 0.00 0.99 0.00 0.00 10 T 8.50 4.61 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 1.22 0.00 0.00 11 C 8.56 5.02 0.00 2.75 2.53 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 0.00 0.00 0.00 0.00 12 C 8.29 4.97 0.00 2.94 2.98 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 0.00 0.00 0.00 13 Y 8.31 4.13 0.00 2.96 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 14 N 7.54 4.55 0.00 2.60 2.64 0.00 0.00 6.82 7.02 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 15 F 8.08 5.47 0.00 3.13 2.85 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 0.00 0.00 0.00 16 T 9.00 4.33 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 17 N 8.70 5.01 0.00 2.88 2.95 0.00 0.00 5.83 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 18 R 7.39 4.35 0.00 1.71 1.74 0.00 3.21 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.00 19 K 7.85 2.00 0.00 0.79 1.15 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 0.82 7.81 20 I 6.25 4.34 1.84 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.85 0.00 0.00 21 S 8.26 4.22 0.00 3.83 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 22 V 8.35 3.66 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 0.88 0.00 0.00 0.84 0.00 0.00 23 Q 8.05 4.09 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 24 R 7.84 4.48 0.00 1.84 1.92 0.00 3.08 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 25 L 7.57 4.55 0.00 1.56 1.62 0.32 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.72 4.73 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 27 S 7.86 4.79 0.00 3.83 3.98 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 0.00 0.00 0.00 28 Y 8.36 5.83 0.00 2.72 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 29 R 8.25 4.51 0.00 1.79 1.90 0.00 2.93 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 30 R 8.67 4.64 0.00 1.73 1.88 0.00 3.21 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 31 I 8.82 4.38 1.92 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 1.47 0.90 0.00 0.00 32 T 8.44 4.47 4.22 0.00 0.00 0.00 0.00 0.00 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 33 S 8.19 3.97 0.00 3.83 3.77 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 34 S 8.70 4.31 0.00 4.01 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 35 K 8.08 4.22 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.41 7.81 36 C 8.07 4.75 0.00 2.89 2.83 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 37 P 0.00 4.20 0.00 2.13 2.26 0.00 3.38 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.35 0.00 38 K 7.14 4.35 0.00 1.87 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.27 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.17 1.50 7.81 39 E 8.86 4.72 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 40 A 7.97 4.43 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 41 V 8.09 4.60 1.53 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 0.09 0.00 0.00 0.61 0.00 0.00 42 I 8.47 4.83 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.48 0.95 0.00 0.00 43 F 9.17 5.32 0.00 3.12 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 44 K 9.03 4.95 0.00 1.91 1.75 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 45 T 9.05 4.80 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 1.32 0.00 0.00 46 I 8.75 3.75 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.92 0.00 0.00 47 V 7.83 3.98 2.10 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 0.80 0.00 0.00 0.94 0.00 0.00 48 A 8.05 3.80 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.65 4.73 0.00 1.85 1.68 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 50 E 8.82 5.28 0.00 1.92 1.91 0.00 0.00 0.00 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 2.36 0.00 51 I 9.08 4.75 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 1.13 0.00 0.00 52 C 8.93 5.23 0.00 3.10 3.35 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 53 A 8.99 5.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 3.37 0.00 2.14 2.24 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 0.00 55 P 0.00 3.98 0.00 1.92 1.95 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 56 K 8.12 4.02 0.00 1.79 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.53 7.81 57 Q 7.62 4.27 0.00 1.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 58 K 8.63 3.86 0.00 1.82 1.86 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.57 7.81 59 W 8.32 4.30 0.00 3.55 3.30 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 60 V 6.61 2.73 1.75 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 0.70 0.00 0.00 -0.41 0.00 0.00 61 Q 7.83 3.84 0.00 2.16 2.03 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 2.23 2.45 0.00 62 D 8.76 4.55 0.00 2.88 2.75 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 63 S 8.06 4.28 0.00 4.03 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.59 3.74 0.00 1.84 2.06 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.19 0.00 65 D 7.83 4.36 0.00 2.81 2.65 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 0.00 0.00 0.00 0.00 66 H 8.15 4.27 0.00 3.21 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.72 4.20 0.00 2.02 1.97 1.28 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.40 4.64 0.00 2.78 2.75 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 69 K 7.74 3.97 0.00 1.98 2.03 0.00 1.96 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 70 Q 8.08 3.57 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00