NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4250 8.3049 120.3570 54.9947 34.6093 175.8944 2 N 4.6465 7.7234 117.7187 50.0476 37.7224 172.8745 3 K 3.8741 8.2101 123.6515 59.7330 33.5527 176.8600 4 G 3.7215 8.0777 104.8462 48.1775 0.0000 174.9204 5 Q 4.0364 8.0932 121.9882 58.6792 29.1544 178.1134 6 R 3.2349 8.3496 120.0870 59.6408 30.1186 178.2475 7 H 4.2672 8.7148 116.3302 58.7034 28.5409 177.8843 8 I 3.6470 7.7144 121.7043 64.2929 36.9092 178.3329 9 K 3.8132 8.0008 120.4538 59.4102 31.9489 178.5894 10 I 3.5830 7.9972 120.4587 64.6393 36.7527 178.5623 11 R 3.9172 7.8503 118.5457 59.1646 29.9351 178.7065 12 E 3.9989 8.3098 119.3208 59.2572 29.5906 179.0510 13 I 3.7084 8.3676 120.8344 64.3447 37.1541 178.2335 14 I 3.9725 8.1090 111.4679 63.0119 37.4892 176.9969 15 T 4.3696 7.4017 115.2120 64.4709 69.4310 175.8477 16 S 4.6634 7.6698 114.3324 57.8739 63.8173 173.4031 17 N 5.0875 7.4276 117.6578 51.4392 42.4072 174.8125 18 E 4.2715 8.4467 120.1614 55.4911 28.3440 174.8067 19 I 4.1106 7.9374 123.3533 60.4717 37.6480 176.4780 20 E 4.4548 9.1481 127.6774 57.8120 30.3010 176.5883 21 T 5.0181 7.6489 107.2804 59.0518 73.4439 174.6878 22 Q 3.7884 8.5714 120.5271 59.2353 28.9140 178.5338 23 D 4.5047 8.1951 119.3940 57.5693 40.6972 178.8517 24 E 3.9828 8.1015 118.9713 59.1594 29.4590 178.6915 25 L 3.8482 8.0472 120.4043 58.4655 42.0393 179.2143 26 V 3.5030 8.1364 118.3509 66.1397 31.5459 177.7678 27 D 4.3160 7.9799 117.8365 57.8226 40.8592 178.4293 28 M 3.9960 8.2020 119.2863 58.8316 31.8756 179.0125 29 L 4.0550 8.5851 119.1363 57.4577 41.7835 179.4502 30 K 4.1290 8.2424 120.2252 59.1909 31.8692 179.0439 31 Q 4.1278 7.9781 116.6549 59.1074 28.7111 178.2141 32 D 4.8387 7.5390 116.4338 54.3692 41.0753 177.0998 33 G 3.8888 8.5253 109.7314 45.5129 0.0000 173.8659 34 Y 4.2500 8.6676 118.5360 56.3716 37.7151 175.2091 35 K 4.4638 8.4809 125.9159 55.6083 32.1116 176.9882 36 V 4.5513 8.0360 116.2676 59.1360 35.9865 175.1597 37 T 4.5646 8.0055 111.5925 59.7460 72.2417 175.0346 38 Q 3.8611 8.5972 121.2924 59.5909 28.8158 178.3201 39 A 4.1215 8.0628 120.8406 55.8931 18.2929 179.4422 40 T 3.8090 7.9151 113.1486 66.9591 68.5786 176.8803 41 V 3.7609 7.7854 119.9890 65.7354 31.4096 177.9065 42 S 4.0065 8.6967 114.0256 61.5586 62.2201 176.4496 43 R 3.9047 8.3136 121.0017 59.2325 29.6947 178.7770 44 D 4.5400 8.3087 120.3613 56.8814 40.9104 178.7845 45 I 3.5805 8.1259 120.4585 64.3039 36.9018 178.1873 46 K 3.8646 7.9061 118.9890 59.8550 32.2162 178.3065 47 E 4.0255 8.2778 118.6394 59.1976 29.1749 178.9980 48 L 4.0973 8.0181 117.8101 55.4565 41.7324 177.2815 49 H 4.2098 7.6704 114.3583 56.4326 26.5598 174.9685 50 L 4.5336 7.8754 118.2802 55.3763 42.4393 176.8528 51 V 4.5410 8.7440 113.0833 59.6033 36.3736 174.9630 52 K 4.3955 8.5221 124.8991 55.4420 32.4806 175.8430 53 V 4.6713 8.6801 122.1136 58.5457 34.3855 174.2384 54 P 4.1734 0.0000 0.0000 62.9498 32.0890 175.5269 55 T 4.5980 8.0288 110.4771 59.5409 71.1435 175.7877 56 N 4.6977 8.4941 121.6938 52.9735 38.1104 174.8888 57 N 4.8953 8.1690 113.0648 52.8434 43.6901 173.3593 58 G 3.5657 7.7347 110.5770 45.7440 0.0000 174.3197 59 S 4.6900 7.7596 115.5778 57.4966 65.8289 171.6831 60 Y 5.0987 8.4538 116.6415 56.5828 41.4486 175.1152 61 K 4.8869 8.8212 117.8247 56.0683 36.2209 174.9086 62 Y 4.6091 9.2294 120.9110 58.2463 38.6406 175.2011 63 S 4.7278 9.4927 117.5557 56.0096 66.7108 173.9631 64 L 4.1851 8.7323 123.7632 55.4641 41.3886 177.2484 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 8.30 4.43 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 2 N 7.72 4.65 0.00 3.06 2.78 0.00 0.00 6.74 6.80 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 3 K 8.21 3.87 0.00 1.77 1.77 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.25 1.33 7.81 4 G 8.08 3.72 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 0.00 0.00 0.00 5 Q 8.09 4.04 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 6 R 8.35 3.23 0.00 2.08 2.08 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 0.00 7 H 8.71 4.27 0.00 3.33 3.29 0.00 5.69 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 8 I 7.71 3.65 2.05 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 1.41 0.80 0.91 0.00 0.00 9 K 8.00 3.81 0.00 1.48 1.42 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.43 7.81 10 I 8.00 3.58 1.90 0.00 0.00 0.74 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 0.41 0.80 0.00 0.00 11 R 7.85 3.92 0.00 2.05 1.96 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 12 E 8.31 4.00 0.00 2.01 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 2.30 2.35 0.00 13 I 8.37 3.71 1.95 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 1.55 0.45 0.89 0.00 0.00 14 I 8.11 3.97 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.66 0.97 0.00 0.00 15 T 7.40 4.37 4.65 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 1.21 0.00 0.00 16 S 7.67 4.66 0.00 3.85 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 17 N 7.43 5.09 0.00 2.76 2.67 0.00 0.00 6.96 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.45 4.27 0.00 1.98 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 2.30 2.28 0.00 19 I 7.94 4.11 1.97 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 1.33 0.99 0.98 0.00 0.00 20 E 9.15 4.45 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 21 T 7.65 5.02 4.30 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 1.26 0.00 0.00 22 Q 8.57 3.79 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 23 D 8.20 4.50 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.10 3.98 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 25 L 8.05 3.85 0.00 1.61 1.68 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.14 3.50 2.31 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 1.12 0.00 0.00 0.94 0.00 0.00 27 D 7.98 4.32 0.00 2.89 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 28 M 8.20 4.00 0.00 2.00 2.26 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 2.63 2.90 0.00 29 L 8.59 4.05 0.00 1.85 1.89 0.83 0.86 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 30 K 8.24 4.13 0.00 1.99 1.89 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.42 7.81 31 Q 7.98 4.13 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.20 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 32 D 7.54 4.84 0.00 2.89 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 33 G 8.53 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 0.00 0.00 0.00 34 Y 8.67 4.25 0.00 3.15 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 35 K 8.48 4.46 0.00 1.75 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 36 V 8.04 4.55 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 0.80 0.00 0.00 0.95 0.00 0.00 37 T 8.01 4.56 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 38 Q 8.60 3.86 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 39 A 8.06 4.12 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 40 T 7.92 3.81 4.40 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 1.26 0.00 0.00 41 V 7.79 3.76 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 0.87 0.00 0.00 42 S 8.70 4.01 0.00 4.03 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 43 R 8.31 3.90 0.00 2.00 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 44 D 8.31 4.54 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.13 3.58 2.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.99 0.00 0.00 46 K 7.91 3.86 0.00 1.74 1.99 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 47 E 8.28 4.03 0.00 2.13 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 2.57 0.00 48 L 8.02 4.10 0.00 1.50 1.66 0.78 0.89 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 49 H 7.67 4.21 0.00 3.38 3.42 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.88 4.53 0.00 1.66 1.79 0.89 0.97 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 51 V 8.74 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 0.76 0.00 0.00 0.98 0.00 0.00 52 K 8.52 4.40 0.00 1.11 1.49 0.00 1.13 0.00 0.00 1.37 0.00 0.00 2.42 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 0.99 7.81 53 V 8.68 4.67 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 0.71 0.00 0.00 0.94 0.00 0.00 54 P 0.00 4.17 0.00 1.79 1.50 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 55 T 8.03 4.60 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 56 N 8.49 4.70 0.00 2.66 2.82 0.00 0.00 6.74 7.79 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 57 N 8.17 4.90 0.00 2.64 2.70 0.00 0.00 7.28 7.98 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 58 G 7.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.76 4.69 0.00 4.23 4.06 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 60 Y 8.45 5.10 0.00 2.70 2.81 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 61 K 8.82 4.89 0.00 1.83 1.88 0.00 1.36 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.44 7.81 62 Y 9.23 4.61 0.00 2.86 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 63 S 9.49 4.73 0.00 3.80 3.75 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 64 L 8.73 4.19 0.00 1.69 1.61 0.93 0.84 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