NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4366 8.1627 118.3253 55.1449 33.4774 173.6108 2 Q 4.5998 8.2809 122.0331 53.6609 30.6307 172.9964 3 I 4.3879 9.3872 120.4830 58.9486 42.2391 173.4121 4 F 5.5655 8.7583 120.4825 55.7282 42.5289 175.0654 5 V 4.7966 8.9375 121.4648 61.1021 34.7129 174.0815 6 K 4.9291 8.9671 130.6306 55.2883 33.2815 176.5961 7 T 4.5406 9.1917 119.0793 60.7193 69.7591 175.3931 8 L 3.9456 8.4003 123.7703 58.2950 42.1364 177.5430 9 T 4.2208 7.8974 106.4671 61.6021 68.6011 175.4190 10 G 3.8809 8.1814 109.3141 45.6889 0.0000 173.6232 11 K 4.2610 7.8833 122.3012 55.9615 33.6257 175.6310 12 T 4.9472 8.5313 124.5116 62.3277 69.4549 174.0074 13 I 4.7271 8.9676 121.1238 59.2335 40.7832 174.8734 14 T 5.0891 8.4321 113.2957 60.9055 70.7007 173.7301 15 L 4.7248 8.8306 124.8685 53.6051 46.0762 174.5909 16 E 4.9285 8.7839 125.3308 55.4139 30.5395 175.5780 17 V 4.7032 8.8228 117.5845 59.9504 36.5706 174.2918 18 E 4.7407 9.1768 119.9268 54.0172 32.5935 176.2649 19 P 4.2065 0.0000 0.0000 65.4305 31.5779 178.1047 20 S 4.6482 7.8352 109.7826 58.0174 63.7241 173.8627 21 D 4.4104 7.9377 123.4892 54.7071 41.1889 176.4153 22 T 4.6468 8.2929 114.3909 61.3424 71.1069 175.5846 23 I 3.6775 8.3586 123.1935 64.7147 37.0848 178.4144 24 E 3.9585 7.9979 118.7824 59.7518 29.3539 179.2094 25 N 4.2992 8.0175 115.7817 56.3235 38.4969 177.6248 26 V 3.5558 7.7505 119.4784 66.0444 31.6375 178.2411 27 K 4.3821 8.6858 119.6845 58.9223 31.7817 179.2127 28 A 4.0078 8.1593 121.2092 55.0491 18.1933 179.8761 29 K 3.9642 8.0575 117.1330 59.4136 31.9912 179.7444 30 I 3.6888 8.0885 120.6633 64.1985 36.9302 178.0045 31 Q 4.1706 8.1995 120.4770 59.5410 28.6492 178.3355 32 D 4.3425 8.0038 118.3865 57.1308 40.8999 178.5831 33 K 4.1050 8.1632 119.1969 59.1044 32.4944 177.9788 34 E 4.6392 8.7031 115.4758 55.0378 30.8471 177.0067 35 G 3.8099 8.1709 107.2060 45.8213 0.0000 173.5223 36 I 4.1166 7.5222 120.4268 58.9456 37.5050 174.0010 37 P 4.2499 0.0000 0.0000 62.4808 31.7255 176.0201 38 P 4.3198 0.0000 0.0000 65.3208 31.4504 177.6888 39 D 4.5937 7.9991 115.4233 54.5164 40.0248 176.7774 40 Q 4.3052 7.9627 118.7852 56.8588 29.7184 175.2078 41 Q 4.4410 7.7671 119.0593 55.5347 30.1493 175.2819 42 R 4.6522 9.0153 123.4146 54.4476 32.9214 174.6714 43 L 4.9037 8.3883 124.8251 53.6785 43.6663 175.9654 44 I 5.0487 9.1036 124.4910 59.4532 41.0855 174.4412 45 F 4.9478 8.7641 127.7356 56.6653 42.6742 174.4123 46 A 3.4817 8.7915 129.5634 53.3755 15.6255 177.4054 47 G 3.9110 8.3067 104.2867 47.0477 0.0000 173.8558 48 K 4.5500 7.6005 118.7282 53.8930 34.6655 175.2271 49 Q 4.5622 8.6131 125.5226 55.8259 29.6909 175.3165 50 L 3.9075 8.7573 127.6489 54.4721 42.6923 176.5031 51 E 4.2615 9.6288 124.0293 55.7216 30.4363 177.1877 52 D 4.3164 9.2246 124.1892 57.2699 41.2935 177.8267 53 G 4.0047 8.0273 104.2010 45.5737 0.0000 173.0050 54 R 4.7412 7.9998 120.3469 55.0019 33.2417 174.9550 55 T 5.0920 8.8484 109.8895 59.7884 71.7294 175.2306 56 L 4.1270 8.6208 122.4794 58.2144 42.2580 180.3532 57 S 4.0718 8.6048 113.7128 61.2182 63.2077 175.9233 58 D 4.3714 7.5673 120.4095 56.8747 40.5940 177.1630 59 Y 4.6106 7.3559 113.3088 56.9577 38.0785 175.0390 60 N 4.1418 8.2871 115.6504 54.1190 36.8667 174.5850 61 I 3.6086 7.7995 119.2956 60.7350 37.3072 175.7244 62 Q 4.5974 8.0708 123.6639 52.8119 31.8248 174.6520 63 K 3.8671 8.3453 118.9756 58.4847 32.2699 175.7288 64 E 3.4256 9.1904 124.1400 57.1714 27.7117 174.7825 65 S 4.6614 7.7222 115.2796 58.7874 64.4614 173.1402 66 T 5.2341 8.6952 118.5912 62.1449 70.2563 174.1037 67 L 5.0312 9.2110 126.4520 53.7261 44.9895 174.9092 68 H 5.2293 9.4048 117.9563 54.0273 31.5695 173.2564 69 L 5.1202 8.7507 125.2710 53.4107 43.5677 175.5457 70 V 4.5253 8.8019 126.5426 61.0953 34.5150 174.0663 71 L 5.1082 8.3425 126.1991 53.1056 43.6336 176.0500 72 R 4.1460 9.0017 124.4836 56.0423 30.6577 175.5842 73 L 4.6915 8.5760 126.4058 53.0188 43.6853 175.9903 74 R 4.7054 8.4272 121.9402 53.9901 33.3071 176.1580 75 G 3.7744 8.3704 107.2002 46.7654 0.0000 173.0428 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 4.44 0.00 2.07 2.20 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 2.46 2.68 0.00 2 Q 8.28 4.60 0.00 2.14 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 1.99 2.27 0.00 3 I 9.39 4.39 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.05 0.75 0.00 0.00 4 F 8.76 5.57 0.00 3.06 2.90 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 0.00 0.00 0.00 5 V 8.94 4.80 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 0.89 0.00 0.00 0.94 0.00 0.00 6 K 8.97 4.93 0.00 1.80 1.57 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 7 T 9.19 4.54 4.25 0.00 0.00 0.00 0.00 0.00 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 8 L 8.40 3.95 0.00 1.73 1.75 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.90 4.22 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 10 G 8.18 3.88 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 0.00 0.00 0.00 11 K 7.88 4.26 0.00 1.88 1.69 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 12 T 8.53 4.95 4.20 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 1.16 0.00 0.00 13 I 8.97 4.73 1.91 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 1.48 1.34 0.93 0.00 0.00 14 T 8.43 5.09 4.43 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 1.51 0.00 0.00 15 L 8.83 4.72 0.00 1.68 1.41 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.78 4.93 0.00 1.86 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 2.23 2.25 0.00 17 V 8.82 4.70 2.14 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 0.63 0.00 0.00 0.85 0.00 0.00 18 E 9.18 4.74 0.00 1.97 1.77 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 2.18 2.37 0.00 19 P 0.00 4.21 0.00 2.15 2.07 0.00 3.56 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 2.09 2.05 0.00 20 S 7.84 4.65 0.00 3.96 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 21 D 7.94 4.41 0.00 2.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.29 4.65 4.42 0.00 0.00 0.00 0.00 0.00 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 23 I 8.36 3.68 2.03 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 1.84 1.03 0.89 0.00 0.00 24 E 8.00 3.96 0.00 2.01 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 0.00 2.73 2.57 0.00 25 N 8.02 4.30 0.00 2.95 2.86 0.00 0.00 6.72 6.96 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 26 V 7.75 3.56 2.20 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 1.09 0.00 0.00 0.99 0.00 0.00 27 K 8.69 4.38 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.54 7.81 28 A 8.16 4.01 1.38 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 0.00 0.00 29 K 8.06 3.96 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 30 I 8.09 3.69 2.13 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 1.41 1.02 0.91 0.00 0.00 31 Q 8.20 4.17 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 8.00 4.34 0.00 2.79 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 33 K 8.16 4.10 0.00 1.77 2.01 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 34 E 8.70 4.64 0.00 2.03 1.94 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 2.24 2.43 0.00 35 G 8.17 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 0.00 0.00 0.00 36 I 7.52 4.12 1.87 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 1.42 0.74 0.91 0.00 0.00 37 P 0.00 4.25 0.00 2.17 2.01 0.00 3.60 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 38 P 0.00 4.32 0.00 2.17 2.10 0.00 3.59 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 2.11 2.14 0.00 39 D 8.00 4.59 0.00 2.79 2.79 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 0.00 0.00 0.00 40 Q 7.96 4.31 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.77 4.44 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 42 R 9.02 4.65 0.00 1.88 1.83 0.00 3.11 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.39 4.90 0.00 1.55 1.54 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.10 5.05 1.91 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 1.25 1.02 0.93 0.00 0.00 45 F 8.76 4.95 0.00 3.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.31 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.60 4.55 0.00 2.08 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.36 7.81 49 Q 8.61 4.56 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 50 L 8.76 3.91 0.00 1.35 1.19 0.68 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.63 4.26 0.00 2.04 1.95 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 2.40 2.45 0.00 52 D 9.22 4.32 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 53 G 8.03 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 0.00 0.00 0.00 54 R 8.00 4.74 0.00 2.05 1.97 0.00 2.90 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 55 T 8.85 5.09 4.47 0.00 0.00 0.00 0.00 0.00 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 56 L 8.62 4.13 0.00 1.76 1.70 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.60 4.07 0.00 3.98 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 58 D 7.57 4.37 0.00 2.81 2.38 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 59 Y 7.36 4.61 0.00 3.09 2.91 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 0.00 0.00 0.00 60 N 8.29 4.14 0.00 2.88 2.92 0.00 0.00 6.89 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 61 I 7.80 3.61 1.79 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 -0.16 0.13 0.62 0.00 0.00 62 Q 8.07 4.60 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 63 K 8.35 3.87 0.00 1.66 1.73 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.43 7.81 64 E 9.19 3.43 0.00 2.15 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 2.34 2.16 0.00 65 S 7.72 4.66 0.00 3.77 3.91 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 0.00 0.00 0.00 66 T 8.70 5.23 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 1.23 0.00 0.00 67 L 9.21 5.03 0.00 1.57 1.62 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.40 5.23 0.00 3.01 3.20 0.00 5.57 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 69 L 8.75 5.12 0.00 1.61 1.56 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.80 4.53 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.34 5.11 0.00 1.56 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.00 4.15 0.00 1.78 1.84 0.00 3.21 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.58 4.69 0.00 1.64 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.43 4.71 0.00 1.76 1.81 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 75 G 8.37 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 0.00 0.00 0.00