NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5167 8.1627 118.3264 55.4962 33.7218 173.1820 2 Q 4.7986 8.0351 118.1058 52.8550 32.7681 171.7023 3 I 4.4210 9.4416 119.4520 59.0931 42.4582 173.0565 4 F 5.5100 8.5944 120.6226 55.6996 41.8568 175.0191 5 V 4.7965 9.2604 123.0734 60.9283 34.2428 174.0081 6 K 5.0443 8.9842 129.3712 54.6345 34.7805 176.1245 7 T 4.6649 8.5011 118.2042 61.0750 69.8206 174.6212 8 L 4.2132 8.3912 121.3869 57.7087 42.0099 178.6447 9 T 3.9631 8.1873 108.0384 64.8386 68.4437 173.4469 10 G 3.4637 7.7091 114.8988 44.9997 0.0000 173.8773 11 K 3.6877 7.4244 121.8324 57.3831 32.4042 175.1924 12 T 5.1716 8.2954 122.0062 62.1911 71.2137 174.0483 13 I 4.7115 8.5820 123.7928 60.1351 41.5581 174.3396 14 T 5.0400 8.6956 123.1472 62.3166 70.0703 174.0817 15 L 4.7893 8.9216 125.6772 52.8391 45.3583 174.9529 16 E 4.8108 8.7116 123.8431 55.0415 30.5715 175.2367 17 V 4.7197 8.9264 119.5667 59.8787 36.3742 174.4767 18 E 4.7780 8.9967 120.8156 54.0288 32.3015 176.0415 19 P 4.3563 0.0000 0.0000 64.6021 31.6347 178.4646 20 S 4.3370 7.8309 111.9384 59.8046 63.9837 174.5009 21 D 4.3985 7.9545 122.9387 54.4558 41.1667 176.3760 22 T 4.7264 8.2398 114.1320 61.1415 71.3752 175.8721 23 I 3.7727 8.4072 122.1736 64.2933 36.8801 178.8512 24 E 3.9618 8.0995 119.3661 59.4229 29.4613 178.4533 25 N 4.2438 7.8945 116.5762 56.5387 38.6144 177.5924 26 V 3.6053 7.5530 118.8076 65.8835 31.7501 178.2773 27 K 4.3804 8.4801 119.3586 58.7777 31.9245 179.2221 28 A 3.9961 8.2288 121.2824 55.1553 18.4404 179.8600 29 K 3.9729 7.8386 116.5008 59.5392 31.9595 179.6779 30 I 3.8241 7.7678 120.2521 64.1639 37.0203 178.0461 31 Q 4.3158 7.9891 121.7729 58.6379 28.5212 178.1966 32 D 4.3299 7.7582 118.9360 57.3738 41.1346 178.6248 33 K 4.2859 7.8437 116.9554 58.4074 31.9667 178.1361 34 E 4.5485 8.3675 116.2007 55.6116 32.5736 175.7213 35 G 4.0282 8.3107 106.3674 46.2636 0.0000 173.5985 36 I 4.2080 7.1318 119.0148 59.0135 38.4083 173.8251 37 P 4.4046 0.0000 0.0000 61.7817 31.6344 175.7370 38 P 4.5194 0.0000 0.0000 64.6182 31.4558 177.6487 39 D 4.3521 7.9406 116.6936 54.9526 40.0702 177.2194 40 Q 4.2645 8.4871 118.8385 56.9868 29.5062 175.2223 41 Q 4.6445 7.4355 118.2295 55.3646 30.3113 175.2623 42 R 4.7126 9.1653 123.0199 54.4093 33.2088 174.6955 43 L 4.9175 8.4444 124.4118 53.9485 43.7924 176.0253 44 I 5.0147 8.6740 122.7388 59.5203 41.3542 174.0421 45 F 5.0085 9.5314 128.7319 56.5905 42.0349 174.8555 46 A 3.3827 9.0866 130.4595 53.0882 15.6607 177.3824 47 G 3.9168 7.9070 107.3753 45.3083 0.0000 172.8677 48 K 4.4918 7.8189 121.7795 54.4856 33.8468 174.5528 49 Q 4.6489 8.4332 127.0596 55.4530 29.9594 175.0373 50 L 3.8659 8.5065 127.4363 54.5118 42.4018 176.1192 51 E 4.5340 9.5432 125.8180 54.7931 31.3095 175.4507 52 D 4.4827 8.6638 126.3519 56.0254 41.4186 176.9894 53 G 3.9646 8.7479 110.6819 45.1952 0.0000 173.4992 54 R 4.5511 7.5149 117.4032 54.7440 32.4102 175.2275 55 T 5.0111 8.3349 109.5619 59.7595 71.4748 175.7570 56 L 4.0242 8.4259 121.5392 58.0837 41.4315 180.1411 57 S 4.1472 7.9750 113.5873 61.5260 62.6061 176.1138 58 D 4.4276 7.6647 121.4489 56.2637 40.5458 177.0938 59 Y 4.5603 7.6229 114.7233 56.2398 39.3154 174.6311 60 N 4.1192 8.3097 117.8732 54.4516 37.9647 174.1532 61 I 3.7660 7.6376 117.3574 60.2314 38.1091 175.6750 62 Q 4.6625 8.1194 124.1625 52.9124 31.7273 174.9093 63 K 3.9666 8.2890 117.6039 58.8997 32.5249 176.8533 64 E 3.3008 8.9403 119.9370 56.6989 27.8325 174.8644 65 S 4.5978 7.7510 115.7760 58.9592 64.4347 173.1891 66 T 5.1901 8.6686 117.6653 62.0829 70.7803 173.6638 67 L 5.0843 9.0043 126.5170 53.5410 44.9010 175.1487 68 H 5.2931 9.1021 118.7688 54.1526 31.6008 173.4314 69 L 5.0081 8.6713 124.9332 53.6835 43.1227 175.7634 70 V 4.5721 8.7884 126.4862 61.2249 34.5753 174.1981 71 L 5.9551 8.2557 122.9226 52.0806 45.3661 175.8443 72 R 4.6815 8.4591 121.2652 55.0840 32.8304 175.9597 73 L 4.1145 8.0733 121.2102 55.3442 42.6793 175.5665 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 4.52 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 2 Q 8.04 4.80 0.00 2.33 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 3 I 9.44 4.42 1.82 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 1.10 1.03 0.78 0.00 0.00 4 F 8.59 5.51 0.00 2.99 2.89 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 5 V 9.26 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.04 0.00 1.69 1.44 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.32 7.81 7 T 8.50 4.66 4.26 0.00 0.00 0.00 0.00 0.00 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 8.39 4.21 0.00 1.67 1.77 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.19 3.96 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 10 G 7.71 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 3.69 0.00 1.83 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 12 T 8.30 5.17 4.21 0.00 0.00 0.00 0.00 0.00 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 I 8.58 4.71 1.99 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 1.38 0.87 0.93 0.00 0.00 14 T 8.70 5.04 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 1.24 0.00 0.00 15 L 8.92 4.79 0.00 1.52 1.46 0.92 0.52 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 16 E 8.71 4.81 0.00 1.93 1.83 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 2.20 2.43 0.00 17 V 8.93 4.72 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.00 4.78 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 19 P 0.00 4.36 0.00 2.15 2.06 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 2.08 2.04 0.00 20 S 7.83 4.34 0.00 3.96 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 21 D 7.95 4.40 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.73 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 1.22 0.00 0.00 23 I 8.41 3.77 1.90 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 1.86 1.06 0.89 0.00 0.00 24 E 8.10 3.96 0.00 2.06 1.99 0.00 0.00 0.00 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 2.46 0.00 25 N 7.89 4.24 0.00 2.97 2.88 0.00 0.00 6.71 8.14 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 26 V 7.55 3.61 2.19 0.00 0.00 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 0.96 0.00 0.00 27 K 8.48 4.38 0.00 1.96 1.85 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 A 8.23 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.97 0.00 1.95 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.83 7.81 30 I 7.77 3.82 2.14 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 0.83 0.91 0.00 0.00 31 Q 7.99 4.32 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 D 7.76 4.33 0.00 2.92 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 33 K 7.84 4.29 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.70 7.81 34 E 8.37 4.55 0.00 2.04 1.87 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 2.23 2.40 0.00 35 G 8.31 4.03 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 0.00 0.00 0.00 36 I 7.13 4.21 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 1.30 0.83 0.96 0.00 0.00 37 P 0.00 4.40 0.00 2.41 1.98 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.52 0.00 2.17 2.10 0.00 3.59 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 39 D 7.94 4.35 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.26 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 7.44 4.64 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 42 R 9.17 4.71 0.00 1.74 1.81 0.00 3.43 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.44 4.92 0.00 1.55 1.53 0.89 0.74 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 8.67 5.01 1.91 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 1.12 0.85 0.94 0.00 0.00 45 F 9.53 5.01 0.00 2.91 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 46 A 9.09 3.38 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.49 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 49 Q 8.43 4.65 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 50 L 8.51 3.87 0.00 1.42 1.29 0.65 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.54 4.53 0.00 2.11 1.99 0.00 0.00 0.00 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 2.33 0.00 52 D 8.66 4.48 0.00 2.73 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 53 G 8.75 3.96 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 0.00 54 R 7.51 4.55 0.00 2.11 1.93 0.00 2.97 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 55 T 8.33 5.01 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 56 L 8.43 4.02 0.00 1.85 1.67 0.89 0.82 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 57 S 7.97 4.15 0.00 4.06 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 58 D 7.66 4.43 0.00 2.58 2.43 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 59 Y 7.62 4.56 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.12 0.00 2.85 2.98 0.00 0.00 7.12 7.55 0.00 0.00 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 7.64 3.77 1.60 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.51 0.00 0.00 62 Q 8.12 4.66 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 63 K 8.29 3.97 0.00 1.78 1.78 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.46 7.81 64 E 8.94 3.30 0.00 2.15 2.34 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 2.25 2.24 0.00 65 S 7.75 4.60 0.00 3.78 3.90 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 66 T 8.67 5.19 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 1.24 0.00 0.00 67 L 9.00 5.08 0.00 1.59 1.59 0.85 1.16 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 9.10 5.29 0.00 3.14 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.67 5.01 0.00 1.61 1.58 0.93 0.79 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 70 V 8.79 4.57 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 0.94 0.00 0.00 0.94 0.00 0.00 71 L 8.26 5.96 0.00 1.49 1.50 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.46 4.68 0.00 1.80 1.79 0.00 3.26 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 73 L 8.07 4.11 0.00 1.63 1.48 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00