NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 Q 4.1545 8.2033 121.7170 54.9715 30.5267 175.5142 14 P 2.0000 0.0000 0.0000 64.0192 31.1739 176.8511 15 I 3.4482 8.1119 117.5734 63.4070 38.7290 175.4585 16 D 4.7484 8.0159 117.9489 53.8688 41.6235 176.8938 17 W 4.7335 8.0731 121.3819 57.0466 29.7381 176.1972 18 T 4.6605 9.0518 113.7309 60.5720 71.1552 176.1691 19 I 4.0411 8.1132 122.2847 64.2473 36.9936 178.5493 20 E 4.0165 8.1742 118.6996 59.4104 29.2446 179.1503 21 E 3.7405 8.0376 118.4669 58.9528 29.3694 179.5334 22 V 3.6046 7.7889 118.5207 65.9869 31.6311 178.1617 23 I 3.3770 7.6393 119.4847 64.3851 36.9645 178.3287 24 Q 3.8800 8.1243 119.0798 59.0620 28.0216 178.3862 25 Y 3.9139 7.7915 120.3788 60.6669 38.9091 178.3127 26 I 3.3672 7.6897 120.5312 64.2971 37.0827 178.2542 27 E 3.8874 8.3197 119.9484 59.4990 29.1214 179.7555 28 S 4.0507 7.7419 112.0898 60.9395 63.1713 175.0600 29 N 4.3768 7.3552 116.0151 54.4684 38.8053 174.8809 30 D 4.3733 7.8184 117.6817 52.6979 42.4146 174.5981 31 N 4.2088 8.7863 126.6094 56.3789 39.0785 176.7118 32 S 4.3248 8.0272 110.7637 59.8818 63.2639 174.6314 33 L 4.4586 8.0055 120.8453 55.1599 42.4535 178.1918 34 A 4.2608 8.0782 123.2232 54.4824 17.9452 179.8976 35 V 3.6358 7.7656 116.0545 64.4119 31.7031 177.0620 36 H 4.9778 8.2986 115.8367 55.5935 29.1619 176.6494 37 G 3.8597 8.0837 109.3918 48.1908 0.0000 175.3219 38 D 4.4982 8.2368 119.4905 56.9252 41.2095 178.1577 39 L 4.0520 8.1452 119.7640 57.6981 41.4632 179.3162 40 F 4.0914 8.5717 117.7811 60.0778 38.7775 178.1406 41 R 3.9762 7.9538 117.6336 59.1392 29.8921 178.5268 42 K 3.8109 8.0016 118.4762 59.5827 32.1941 176.9911 43 H 4.5802 8.2774 112.6702 54.7213 29.2666 174.9277 44 E 3.7036 7.6504 118.3589 57.3998 26.7337 176.9428 45 I 4.2074 8.2375 120.3836 60.1800 37.1237 176.0510 46 D 5.0559 8.2375 126.8947 51.7378 42.2820 177.3348 47 G 3.7265 9.0311 105.4125 48.3771 0.0000 175.9008 48 K 3.9321 8.0851 119.1670 59.1298 32.3931 178.8534 49 A 4.1438 8.6430 121.2067 54.8895 18.4221 179.2441 50 L 4.0360 8.4145 119.3727 58.5058 41.9908 179.0154 51 L 4.2205 7.7829 116.2756 56.3440 41.6429 178.2874 52 R 4.4575 7.7036 116.5731 54.9362 31.3776 176.0141 53 L 4.2761 7.0907 121.1012 54.6414 43.0166 175.6460 54 N 5.1729 8.2408 120.7736 50.3147 42.0337 175.5686 55 S 4.1133 8.5512 115.9801 61.7690 62.7896 176.5539 56 E 3.9073 8.2070 121.3839 59.5333 29.4291 178.6398 57 M 4.1763 8.9265 119.0611 58.7717 32.1793 178.6372 58 M 4.0608 7.9949 118.7200 58.6412 31.8685 178.8571 59 M 4.6924 7.8332 119.1961 57.7178 32.2500 178.4885 60 K 3.8186 8.0894 119.0473 59.1156 32.4287 177.6932 61 Y 4.6327 8.1050 114.7744 58.6521 38.4550 176.8823 62 M 4.3045 7.8873 117.6380 53.9947 32.3973 177.1562 63 G 3.9114 7.8035 106.4921 45.9811 0.0000 173.8666 64 L 4.1732 7.0655 120.1852 53.9233 42.5239 177.1576 65 K 4.5541 8.1990 121.1828 55.2453 34.3657 178.0124 66 L 3.9965 8.4922 121.9281 58.7286 41.8361 178.8645 67 G 3.7678 8.1958 104.6838 47.8514 0.0000 173.4162 68 P 4.3023 0.0000 0.0000 64.7560 31.3572 178.6045 69 A 4.0064 7.9734 119.5070 55.2417 18.2450 179.7000 70 L 3.9583 8.2319 117.7428 57.9778 41.8168 179.9919 71 K 4.0163 8.1964 118.4279 59.3899 31.9530 179.6124 72 I 3.8335 8.1094 120.4140 64.3685 37.0868 177.7878 73 C 4.1067 8.4358 119.9523 62.6704 31.1289 175.2151 74 N 4.3549 8.2252 117.4409 56.7946 38.4237 176.5478 75 L 4.2440 7.9860 120.1269 57.7509 41.6754 179.6814 76 V 3.7733 8.1359 118.4156 66.0555 31.3471 177.8593 77 N 4.4263 8.3801 116.2692 56.1215 38.1214 177.2460 78 K 4.2952 7.7245 118.1541 58.0700 32.1311 178.0180 79 V 4.2773 7.1860 111.4559 60.5801 32.5715 175.3952 80 N 4.5870 7.7965 123.5196 53.8706 38.8575 174.2017 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 13 Q 8.20 4.15 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 14 P 0.00 2.00 0.00 1.64 0.85 0.00 3.26 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 0.00 15 I 8.11 3.45 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.80 0.00 0.00 16 D 8.02 4.75 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.07 4.73 0.00 3.44 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 18 T 9.05 4.66 4.28 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 0.00 0.00 0.00 1.31 0.00 0.00 19 I 8.11 4.04 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 1.07 0.00 0.00 20 E 8.17 4.02 0.00 1.96 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 2.41 2.34 0.00 21 E 8.04 3.74 0.00 2.11 1.43 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 2.17 2.24 0.00 22 V 7.79 3.60 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 1.10 0.00 0.00 1.30 0.00 0.00 23 I 7.64 3.38 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.85 0.00 0.00 24 Q 8.12 3.88 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 25 Y 7.79 3.91 0.00 2.31 2.87 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 0.00 0.00 0.00 26 I 7.69 3.37 1.69 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.06 0.79 0.00 0.00 27 E 8.32 3.89 0.00 1.87 1.92 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 2.25 2.45 0.00 28 S 7.74 4.05 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.36 4.38 0.00 2.46 2.70 0.00 0.00 6.72 7.94 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 30 D 7.82 4.37 0.00 2.59 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.79 4.21 0.00 2.72 2.79 0.00 0.00 6.86 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.03 4.32 0.00 4.06 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 33 L 8.01 4.46 0.00 1.84 1.78 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.08 4.26 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 35 V 7.77 3.64 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 0.57 0.00 0.00 0.87 0.00 0.00 36 H 8.30 4.98 0.00 3.45 3.49 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.08 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.24 4.50 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.05 0.00 1.84 1.65 1.01 0.84 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 40 F 8.57 4.09 0.00 3.37 3.20 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 0.00 41 R 7.95 3.98 0.00 2.06 2.01 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 42 K 8.00 3.81 0.00 1.67 1.89 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.33 7.81 43 H 8.28 4.58 0.00 3.21 3.25 0.00 5.86 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.65 3.70 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 2.40 2.27 0.00 45 I 8.24 4.21 2.25 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 1.36 1.19 1.18 0.00 0.00 46 D 8.24 5.06 0.00 3.17 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 47 G 9.03 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.93 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 49 A 8.64 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.41 4.04 0.00 2.03 1.97 1.20 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.78 4.22 0.00 1.78 1.66 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.70 4.46 0.00 1.87 1.95 0.00 3.31 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 53 L 7.09 4.28 0.00 1.91 1.73 0.92 0.79 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 54 N 8.24 5.17 0.00 2.98 2.88 0.00 0.00 6.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.55 4.11 0.00 3.89 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 56 E 8.21 3.91 0.00 2.02 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 2.33 2.35 0.00 57 M 8.93 4.18 0.00 2.20 2.30 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 2.86 2.78 0.00 58 M 7.99 4.06 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 59 M 7.83 4.69 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 60 K 8.09 3.82 0.00 1.44 1.20 0.00 1.48 0.00 0.00 1.03 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.04 7.81 61 Y 8.10 4.63 0.00 2.95 2.87 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 0.00 0.00 0.00 62 M 7.89 4.30 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.07 0.00 63 G 7.80 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 64 L 7.07 4.17 0.00 1.98 1.52 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.20 4.55 0.00 1.76 1.72 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.44 7.81 66 L 8.49 4.00 0.00 1.74 1.67 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.20 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 68 P 0.00 4.30 0.00 2.10 2.10 0.00 3.74 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 2.12 2.21 0.00 69 A 7.97 4.01 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 70 L 8.23 3.96 0.00 1.88 1.75 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.20 4.02 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 72 I 8.11 3.83 2.13 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.17 1.17 0.00 0.00 73 C 8.44 4.11 0.00 3.11 3.19 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 0.00 74 N 8.23 4.35 0.00 2.85 3.03 0.00 0.00 7.32 8.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.99 4.24 0.00 2.04 1.83 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.14 3.77 2.33 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 1.07 0.00 0.00 1.11 0.00 0.00 77 N 8.38 4.43 0.00 3.06 2.88 0.00 0.00 7.02 6.82 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 78 K 7.72 4.30 0.00 2.09 1.99 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.80 7.81 79 V 7.19 4.28 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 0.62 0.00 0.00 0.79 0.00 0.00 80 N 7.80 4.59 0.00 2.74 2.78 0.00 0.00 6.70 8.37 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