NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2996 8.2644 123.5845 52.1425 20.4838 178.6612 3 R 3.9837 8.0171 120.0523 59.5906 30.4482 175.4934 4 K 3.8174 8.4400 120.7081 59.8546 32.6052 178.0166 5 A 4.1006 8.0524 119.8556 54.5050 18.1375 178.4087 6 L 4.5129 7.7801 115.5305 55.2987 42.0972 177.7395 7 I 4.4534 7.2989 112.3477 60.4147 38.0919 174.6251 8 E 4.4085 7.7134 119.4686 58.1765 31.2937 177.6915 9 K 3.9679 7.9669 117.2336 58.2678 32.2104 177.1190 10 A 3.7566 7.8642 119.5176 53.6071 18.9000 177.6189 11 K 4.1881 8.3459 114.4180 57.6830 33.7158 176.4986 12 R 3.8838 7.8625 119.4678 57.3002 29.1976 176.1514 13 T 4.3277 8.6639 118.4349 63.8813 68.8185 175.8181 14 P 4.0838 0.0000 0.0000 65.3157 31.7310 176.8201 15 K 4.2400 7.7614 115.6072 55.1450 33.6458 175.9932 16 F 4.0460 8.2936 117.8922 56.7481 40.0830 177.1898 17 K 4.1760 8.7937 121.5992 59.8221 32.9245 179.7655 18 V 3.6899 8.0193 112.1764 64.2399 31.5178 176.2817 19 R 4.5044 7.6962 116.4740 56.5168 30.1923 175.9082 20 A 4.8656 7.4323 120.0305 50.7796 21.8465 176.0878 21 Y 4.8909 7.3875 115.2845 55.8836 40.4457 174.7940 22 T 4.0044 8.6337 119.0482 64.1008 69.4674 174.8479 23 R 4.9068 7.9781 125.1118 60.4904 30.3192 178.3516 24 C 4.0724 8.5776 113.3194 61.8940 28.6692 174.9614 25 V 3.0211 7.9182 122.8816 64.4685 32.8095 176.9526 26 R 4.0385 7.0677 117.3133 58.1483 30.2704 175.9118 27 C 4.3110 7.9293 113.0496 56.6819 30.3683 175.9341 28 G 3.9106 8.8140 113.7580 45.3259 0.0000 172.7068 29 R 3.9105 9.2428 120.0795 56.1488 30.9822 175.8826 30 A 4.5008 8.6008 122.0198 53.6417 20.6787 177.5775 31 R 4.3848 7.7255 112.2889 55.3407 32.4619 175.7174 32 S 3.5433 8.2867 110.4884 59.9213 60.4110 173.4966 33 V 4.7217 7.3329 113.1098 59.3484 31.1715 173.9975 34 Y 4.1214 9.5564 121.6602 57.9031 37.4384 177.7269 35 R 3.6685 8.7534 122.7869 59.0163 29.4476 178.0714 36 F 4.1939 8.2591 120.1569 61.2661 39.6954 176.2220 37 F 4.3414 8.6861 119.1788 58.7897 39.3805 176.9540 38 G 4.0209 9.5602 108.8246 45.3518 0.0000 172.4971 39 L 5.1304 7.7373 118.9049 52.6647 45.1287 175.2370 40 C 5.8427 8.4236 114.3475 56.3384 31.0193 174.7499 41 R 4.2923 8.7415 116.4943 59.1174 28.5562 178.6433 42 I 3.7859 7.5809 119.6270 63.7874 37.8124 177.3618 43 C 4.5365 7.9497 118.3235 62.6223 27.9192 175.2051 44 L 3.5048 8.3317 121.5018 58.1681 41.3698 178.8527 45 R 3.6021 7.5347 117.4945 60.0370 30.3005 177.9427 46 E 3.9664 8.1329 118.2126 59.3782 29.3570 179.1584 47 L 3.9527 8.0304 118.0522 58.0367 41.5943 179.0134 48 A 3.8160 8.2347 119.8213 55.9147 18.2233 178.7900 49 H 4.2151 7.6924 113.0207 59.2508 29.1044 177.5022 50 K 3.9998 7.6510 118.7191 59.0364 32.3331 178.0899 51 G 4.0801 8.6188 106.2131 45.5476 0.0000 175.5513 52 Q 4.2490 7.9068 115.0685 56.2818 28.2020 176.0015 53 L 4.6605 8.4532 119.2631 52.0350 43.5929 174.2736 54 P 4.3725 0.0000 0.0000 64.3736 31.4959 176.1187 55 G 4.0031 8.8378 109.9799 46.1530 0.0000 173.1392 56 V 4.0308 7.7530 119.3699 61.4189 30.6859 174.8251 57 R 4.7014 8.1030 129.5946 54.1961 32.4508 174.1054 58 K 4.4319 8.3047 117.1908 54.2746 34.3960 176.3359 59 A 4.1909 8.4365 128.8420 52.4560 18.7664 175.7336 60 S 5.1230 8.4046 111.3976 58.4337 64.3793 176.6673 61 W 4.5335 9.1416 121.6428 56.2027 28.1964 175.6470 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 A 8.26 4.30 1.31 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 0.00 0.00 0.00 3 R 8.02 3.98 0.00 1.99 1.93 0.00 3.23 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 4 K 8.44 3.82 0.00 1.91 1.82 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.60 7.81 5 A 8.05 4.10 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 6 L 7.78 4.51 0.00 1.97 1.83 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.30 4.45 1.90 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 1.70 0.67 1.01 0.00 0.00 8 E 7.71 4.41 0.00 2.22 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 2.25 2.30 0.00 9 K 7.97 3.97 0.00 2.02 1.86 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.41 7.81 10 A 7.86 3.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.19 0.00 1.79 1.80 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.31 7.81 12 R 7.86 3.88 0.00 1.76 1.93 0.00 3.24 0.00 0.00 3.42 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 13 T 8.66 4.33 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 14 P 0.00 4.08 0.00 2.06 2.04 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 15 K 7.76 4.24 0.00 1.89 2.15 0.00 1.99 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.55 7.81 16 F 8.29 4.05 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 17 K 8.79 4.18 0.00 1.98 2.10 0.00 1.55 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.52 7.81 18 V 8.02 3.69 2.07 0.00 0.00 0.00 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 1.00 0.00 0.00 19 R 7.70 4.50 0.00 1.98 2.06 0.00 3.35 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 20 A 7.43 4.87 1.22 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 21 Y 7.39 4.89 0.00 3.06 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 22 T 8.63 4.00 4.33 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 1.35 0.00 0.00 23 R 7.98 4.91 0.00 1.69 1.80 0.00 3.29 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 24 C 8.58 4.07 0.00 3.13 3.29 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 25 V 7.92 3.02 2.12 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 0.84 0.00 0.00 1.05 0.00 0.00 26 R 7.07 4.04 0.00 1.97 1.91 0.00 3.08 0.00 0.00 3.28 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 27 C 7.93 4.31 0.00 3.15 3.14 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 28 G 8.81 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 29 R 9.24 3.91 0.00 2.04 1.92 0.00 3.13 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 30 A 8.60 4.50 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 31 R 7.73 4.38 0.00 1.82 1.87 0.00 3.35 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 32 S 8.29 3.54 0.00 4.02 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 33 V 7.33 4.72 2.18 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 0.96 0.00 0.00 1.08 0.00 0.00 34 Y 9.56 4.12 0.00 3.34 3.23 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 35 R 8.75 3.67 0.00 1.96 2.15 0.00 3.15 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 36 F 8.26 4.19 0.00 3.04 3.03 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 37 F 8.69 4.34 0.00 3.31 3.15 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 0.00 0.00 0.00 0.00 38 G 9.56 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 39 L 7.74 5.13 0.00 1.69 1.56 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.42 5.84 0.00 3.24 3.15 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 0.00 0.00 0.00 0.00 41 R 8.74 4.29 0.00 2.25 2.53 0.00 3.04 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 42 I 7.58 3.79 1.88 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 1.66 0.61 0.91 0.00 0.00 43 C 7.95 4.54 0.00 3.02 2.97 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 44 L 8.33 3.50 0.00 1.18 1.47 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.53 3.60 0.00 1.74 2.06 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 1.57 1.65 0.00 46 E 8.13 3.97 0.00 2.21 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 2.33 2.34 0.00 47 L 8.03 3.95 0.00 1.57 1.68 0.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.23 3.82 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.69 4.22 0.00 3.25 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.65 4.00 0.00 1.91 1.92 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 51 G 8.62 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 0.00 0.00 0.00 52 Q 7.91 4.25 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 L 8.45 4.66 0.00 1.59 1.64 0.63 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.37 0.00 2.10 2.08 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 55 G 8.84 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 56 V 7.75 4.03 2.28 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 0.78 0.00 0.00 1.29 0.00 0.00 57 R 8.10 4.70 0.00 1.82 1.86 0.00 3.25 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 58 K 8.30 4.43 0.00 1.72 1.67 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.36 7.81 59 A 8.44 4.19 1.69 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 0.00 0.00 60 S 8.40 5.12 0.00 3.87 3.89 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 61 W 9.14 4.53 0.00 3.44 3.11 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