NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4678 8.3349 115.4215 57.6384 65.2498 173.4578 3 Q 4.3727 7.8296 121.1824 55.2823 30.4525 173.5370 4 S 5.2689 9.3221 118.6198 56.7282 67.0925 173.0910 5 V 4.5153 8.4964 122.1343 62.6635 32.4501 174.9351 6 V 4.9244 8.7597 128.0035 60.6864 34.7532 174.4050 7 A 4.7739 8.9626 130.3445 52.4516 18.7874 178.0464 8 T 4.4766 9.1131 112.8915 62.4982 70.3242 174.0445 9 Q 4.4535 7.4812 118.5421 55.0649 31.3958 173.3760 10 L 4.2727 8.5659 122.2186 55.3539 42.9260 176.0735 11 I 4.4424 8.7221 127.3444 58.7107 39.6515 173.3132 12 P 4.5533 0.0000 0.0000 62.2277 32.4949 176.0362 13 M 4.1853 8.4877 121.6448 56.8542 32.3899 176.2345 14 N 4.5461 9.2058 121.6258 53.5771 37.4722 174.4144 15 T 4.2649 7.7022 116.5078 62.9451 69.6608 174.0226 16 A 4.5592 8.5634 128.7104 51.8049 19.3245 177.0546 17 L 4.3277 9.3587 123.5683 54.8740 43.0621 176.5032 18 T 4.9166 8.2685 112.0530 59.1662 72.1684 173.4479 19 P 4.2137 0.0000 0.0000 65.6167 31.4725 178.9067 20 A 3.9833 8.0978 119.4347 55.1245 18.3615 178.0668 21 M 4.3823 7.7930 114.1244 55.8915 32.6449 175.6690 22 M 5.4991 8.0580 118.2278 53.4757 35.2387 174.8785 23 E 4.7488 9.0247 118.9043 54.9346 33.9600 173.9122 24 G 3.6370 7.7404 107.7151 44.7713 0.0000 173.3158 25 K 4.7157 8.6467 123.0882 54.5466 37.3106 175.6290 26 V 4.2062 8.3429 123.5395 62.7059 31.8524 175.3112 27 T 4.6720 8.4601 117.0104 59.7988 71.7988 173.0143 28 N 4.7344 8.3274 119.7411 51.3635 40.9277 172.3643 29 P 4.4786 0.0000 0.0000 62.3884 32.1733 176.0595 30 I 4.1798 8.1105 120.7364 61.1643 38.7021 176.6669 31 G 4.2156 8.3738 112.1879 46.2703 0.0000 173.9908 32 I 4.0605 8.4227 125.6935 60.3070 38.4799 173.8695 33 P 4.7825 0.0000 0.0000 62.3877 32.0119 177.4113 34 F 4.2840 9.9374 126.9947 61.2652 39.0003 177.2775 35 A 3.9014 8.0278 119.1673 54.2267 18.3711 177.8768 36 E 4.2980 8.2278 116.8188 56.4228 29.7181 177.1899 37 M 3.9612 7.4633 118.6659 59.3933 31.7845 178.3372 38 S 4.1083 7.9233 112.7847 61.0934 63.2750 175.7546 39 Q 3.8756 7.6829 118.4843 57.3162 28.9857 176.7240 40 L 4.3237 7.9213 117.8652 55.7903 42.3449 177.0216 41 V 3.8948 7.0061 119.0406 64.3839 31.6144 175.0803 42 G 4.1075 8.9558 115.8351 45.3768 0.0000 173.9958 43 K 4.3695 7.9086 118.4896 56.2721 33.6419 176.4662 44 Q 5.4803 8.3909 120.4623 54.0582 31.6011 175.1296 45 V 4.5408 8.2047 114.9211 60.4633 33.7549 175.9868 46 N 5.0653 8.9514 122.1152 52.6520 38.2054 174.1175 47 T 4.8245 7.3750 108.1710 60.5953 71.9139 170.4312 48 P 4.7190 0.0000 0.0000 62.7870 32.5080 175.5959 49 V 4.4382 8.6060 122.4008 61.0221 33.8199 174.9554 50 A 4.5763 8.8421 129.6845 51.0202 20.0379 176.5984 51 K 4.0001 8.4224 121.2038 57.7360 32.7100 177.5998 52 G 3.9451 9.1768 115.3795 45.0098 0.0000 173.2059 53 Q 4.2919 7.6246 121.3529 55.9184 30.6185 174.7333 54 T 4.6042 8.2682 121.5034 62.8173 69.8821 174.5641 55 L 4.1769 9.0116 127.3974 54.7242 42.3078 176.7156 56 M 4.4863 8.4085 124.0515 53.5494 33.3941 175.8964 57 P 3.5269 0.0000 0.0000 65.7249 31.5133 178.0024 58 N 4.6962 8.0394 111.5954 54.0993 37.4698 175.0628 59 M 4.9110 8.0267 118.1857 54.6944 33.4106 175.3762 60 V 4.6711 7.3044 120.1783 60.2996 33.0686 174.8213 61 K 4.1716 8.8398 128.3822 58.0309 32.2699 176.8858 62 T 3.4459 8.8907 112.5718 62.5405 67.2296 173.0698 63 Y 4.0333 7.9740 124.6285 61.2189 38.7546 177.4857 64 A 3.8198 7.9574 120.3525 53.7652 18.9029 176.8848 65 A 4.1285 7.6471 123.5290 52.3224 18.5076 177.2117 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 2 S 8.33 4.47 0.00 4.01 4.08 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 0.00 0.00 0.00 3 Q 7.83 4.37 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 4 S 9.32 5.27 0.00 3.72 3.76 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 5 V 8.50 4.52 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 1.00 0.00 0.00 1.08 0.00 0.00 6 V 8.76 4.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.91 0.00 0.00 7 A 8.96 4.77 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 8 T 9.11 4.48 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 1.24 0.00 0.00 9 Q 7.48 4.45 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 10 L 8.57 4.27 0.00 1.68 1.62 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.72 4.44 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 1.23 0.76 0.91 0.00 0.00 12 P 0.00 4.55 0.00 2.07 1.97 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 13 M 8.49 4.19 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 14 N 9.21 4.55 0.00 2.90 3.01 0.00 0.00 7.04 7.37 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 15 T 7.70 4.26 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 1.22 0.00 0.00 16 A 8.56 4.56 1.23 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 0.00 0.00 0.00 17 L 9.36 4.33 0.00 1.58 1.61 0.93 0.50 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 18 T 8.27 4.92 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 1.22 0.00 0.00 19 P 0.00 4.21 0.00 2.22 2.16 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 20 A 8.10 3.98 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 21 M 7.79 4.38 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 22 M 8.06 5.50 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 23 E 9.02 4.75 0.00 1.91 1.97 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 2.33 2.18 0.00 24 G 7.74 3.64 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 0.00 0.00 0.00 25 K 8.65 4.72 0.00 1.62 1.59 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.29 7.81 26 V 8.34 4.21 2.06 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 0.78 0.00 0.00 0.91 0.00 0.00 27 T 8.46 4.67 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 1.19 0.00 0.00 28 N 8.33 4.73 0.00 2.63 2.69 0.00 0.00 7.02 7.69 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 29 P 0.00 4.48 0.00 2.07 1.98 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 30 I 8.11 4.18 1.88 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 1.35 0.76 0.93 0.00 0.00 31 G 8.37 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 0.00 0.00 0.00 0.00 32 I 8.42 4.06 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.48 0.92 0.00 0.00 33 P 0.00 4.78 0.00 2.12 2.03 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 34 F 9.94 4.28 0.00 3.12 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 35 A 8.03 3.90 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 36 E 8.23 4.30 0.00 2.06 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 2.32 2.31 0.00 37 M 7.46 3.96 0.00 1.74 1.90 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.70 0.00 38 S 7.92 4.11 0.00 4.00 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 39 Q 7.68 3.88 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 40 L 7.92 4.32 0.00 1.89 1.74 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.01 3.89 2.22 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 0.79 0.00 0.00 0.99 0.00 0.00 42 G 8.96 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.91 4.37 0.00 1.95 1.77 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.44 7.81 44 Q 8.39 5.48 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.22 0.00 45 V 8.20 4.54 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 46 N 8.95 5.07 0.00 2.81 3.02 0.00 0.00 6.41 6.77 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 47 T 7.38 4.82 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 48 P 0.00 4.72 0.00 2.09 2.09 0.00 3.71 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 1.98 1.96 0.00 49 V 8.61 4.44 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 1.02 0.00 0.00 0.96 0.00 0.00 50 A 8.84 4.58 1.25 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 0.00 0.00 0.00 51 K 8.42 4.00 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.56 7.81 52 G 9.18 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 53 Q 7.62 4.29 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 54 T 8.27 4.60 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 1.24 0.00 0.00 55 L 9.01 4.18 0.00 1.73 1.56 0.91 0.62 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 56 M 8.41 4.49 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 57 P 0.00 3.53 0.00 2.15 2.12 0.00 3.51 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.80 0.00 58 N 8.04 4.70 0.00 2.83 2.94 0.00 0.00 5.94 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 59 M 8.03 4.91 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 60 V 7.30 4.67 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 1.08 0.00 0.00 0.87 0.00 0.00 61 K 8.84 4.17 0.00 1.79 1.78 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 T 8.89 3.45 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 63 Y 7.97 4.03 0.00 3.02 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 64 A 7.96 3.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.65 4.13 1.27 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 0.00 0.00 0.00