NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4564 8.3049 120.3534 54.8461 34.2926 176.0366 2 K 4.1369 8.1667 116.4054 56.4580 33.5487 175.3872 3 K 4.4870 7.9532 118.1601 56.1078 33.0373 176.6854 4 D 4.6168 8.2263 117.4105 55.9474 41.2829 177.3518 5 I 3.7775 7.9485 118.7758 64.5367 37.1424 175.6389 6 H 4.7347 7.8385 118.5093 53.4514 27.7745 174.0232 7 P 3.3527 0.0000 0.0000 62.6091 32.7341 176.0786 8 K 4.6638 7.8285 119.4772 56.1197 36.2856 176.5796 9 Y 4.3805 8.1313 120.7795 57.3242 39.4469 173.9195 10 E 3.8206 7.9789 128.2492 53.7986 30.3558 174.3135 11 E 4.0231 7.3645 125.0415 55.3461 30.5041 176.6833 12 I 4.2841 7.9770 117.2475 59.1062 37.8591 174.0136 13 T 4.8172 8.8377 121.4227 60.7135 71.7945 171.2144 14 A 5.1584 8.4257 124.4513 50.1282 22.9024 175.3291 15 S 4.4290 8.5327 112.7287 56.1528 63.6300 174.6679 16 C 4.7275 8.4034 130.4623 58.7017 27.4831 175.9388 17 S 3.9391 7.8343 114.1046 60.9696 63.5958 174.9554 18 C 4.5656 7.6046 119.8242 58.2366 32.6781 172.9442 19 G 3.8904 7.9816 111.9322 44.4905 0.0000 171.4444 20 N 4.9054 8.2194 114.6954 53.1917 36.0136 175.6691 21 V 3.7516 7.2923 118.7077 63.1460 32.9217 175.0489 22 M 4.3370 8.2254 124.9389 55.5227 32.5520 177.3898 23 K 4.1546 7.8662 118.7741 55.9983 31.5816 176.3976 24 I 4.3981 8.0351 125.2870 60.7514 37.3243 176.1769 25 R 4.2342 9.0948 126.4207 58.6420 30.4344 178.4164 26 S 4.2168 7.9070 109.3774 60.1149 63.4634 174.2837 27 T 3.9324 6.9313 119.0622 63.3531 66.3492 173.4114 28 V 3.6572 7.8769 124.7212 63.3932 32.7672 177.0529 29 G 4.3172 8.0028 113.1104 44.2358 0.0000 172.4630 30 H 4.9471 7.5507 112.3108 54.0411 32.0734 172.9891 31 D 4.9129 8.5647 121.2353 52.6711 44.3151 174.0738 32 L 4.9578 9.2063 124.1620 53.3912 46.7275 174.8573 33 N 5.0500 7.9090 116.2521 52.3464 43.1312 170.1143 34 L 3.9765 8.0514 125.8050 54.2712 41.7780 173.9090 35 D 4.6259 8.0461 121.0731 52.4519 44.2793 174.6234 36 V 4.0851 8.2963 123.5044 62.9376 30.6805 175.1942 37 C 4.4538 8.0457 125.2733 57.7346 30.1502 175.2159 38 S 3.3264 8.0862 111.4460 59.0612 61.7819 174.3344 39 K 4.3618 7.3463 117.5731 56.8252 34.6183 176.4541 40 C 4.5754 7.9452 115.5333 59.4079 33.1000 174.9647 41 H 4.4141 8.0886 118.6853 54.3119 28.6286 172.7908 42 P 4.6773 0.0000 0.0000 63.2055 29.4891 175.2474 43 F 4.9292 8.8985 128.8160 56.3483 41.4641 176.3649 44 F 3.7761 6.7218 125.1465 60.9966 39.1054 175.6097 45 T 3.7423 6.9638 110.0918 65.0098 64.2348 171.9300 46 G 3.6224 7.5870 117.5125 44.6515 0.0000 170.3259 47 K 4.2726 7.7986 118.8437 56.8632 35.3805 175.2464 48 Q 4.5741 9.3657 115.3136 55.0565 30.8441 176.3040 49 R 4.2551 7.6406 113.1270 56.8249 30.1240 181.1391 50 D 3.6586 7.2666 115.1065 54.1490 42.8558 176.5486 51 V 3.4095 7.2364 123.2379 66.2952 31.7904 177.7831 52 A 4.1268 7.9708 119.1002 55.3614 18.3094 179.3512 53 T 3.9149 7.8615 113.9625 67.0334 68.7958 176.0688 54 G 3.9578 8.1162 105.3656 45.6965 0.0000 174.9564 55 G 3.9392 8.1942 107.5699 45.6327 0.0000 174.7791 56 R 4.3126 7.4358 118.9775 56.5538 30.3191 177.1901 57 V 4.3580 7.5265 109.1233 60.7039 33.2205 174.8473 58 D 4.7103 7.5155 118.8719 53.6628 41.9213 176.0839 59 R 4.2661 8.3079 121.7360 56.2879 30.6150 177.2124 60 F 4.1244 8.6435 114.1844 57.7302 36.4366 174.6122 61 N 5.0704 9.0253 117.7565 54.3873 39.1630 176.9423 62 K 4.1075 8.5192 117.2266 58.8229 33.1389 177.8865 63 R 4.2897 8.2992 117.6404 57.9816 31.0268 178.1057 64 F 4.2022 8.5671 118.8190 61.3043 39.4862 175.8666 65 N 4.4153 9.0438 118.9841 55.7768 39.2077 176.7322 66 I 3.6480 7.4162 118.9995 63.8234 37.1347 175.0565 67 P 4.4901 0.0000 0.0000 63.8408 32.0995 177.3839 68 G 3.5351 7.8845 107.9279 48.6241 0.0000 174.3909 69 S 4.0374 7.5845 115.6163 59.0065 62.7345 174.2311 70 K 4.1918 7.8005 124.7683 56.6297 32.8001 176.3318 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 4.46 0.00 1.99 2.18 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 2.50 2.65 0.00 2 K 8.17 4.14 0.00 1.99 1.84 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.46 7.81 3 K 7.95 4.49 0.00 1.90 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 4 D 8.23 4.62 0.00 2.66 2.69 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 5 I 7.95 3.78 1.94 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 1.49 0.68 0.98 0.00 0.00 6 H 7.84 4.73 0.00 3.07 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 3.35 0.00 2.09 1.88 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 8 K 7.83 4.66 0.00 1.82 1.75 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.45 7.81 9 Y 8.13 4.38 0.00 2.96 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 10 E 7.98 3.82 0.00 1.73 1.64 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 2.03 2.06 0.00 11 E 7.36 4.02 0.00 1.90 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 12 I 7.98 4.28 1.84 0.00 0.00 0.84 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 0.83 0.86 0.00 0.00 13 T 8.84 4.82 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 14 A 8.43 5.16 1.26 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 0.00 0.00 0.00 15 S 8.53 4.43 0.00 3.87 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 16 C 8.40 4.73 0.00 3.03 2.99 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 0.00 0.00 0.00 17 S 7.83 3.94 0.00 3.97 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 18 C 7.60 4.57 0.00 2.82 2.83 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 0.00 0.00 0.00 19 G 7.98 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 20 N 8.22 4.91 0.00 2.73 2.81 0.00 0.00 6.78 7.68 0.00 0.00 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 V 7.29 3.75 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 0.93 0.00 0.00 22 M 8.23 4.34 0.00 2.01 2.02 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 2.53 2.54 0.00 23 K 7.87 4.15 0.00 1.86 1.77 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.53 1.46 7.81 24 I 8.04 4.40 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.92 0.00 0.00 25 R 9.09 4.23 0.00 1.87 2.03 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 26 S 7.91 4.22 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 27 T 6.93 3.93 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 1.22 0.00 0.00 28 V 7.88 3.66 2.15 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 0.77 0.00 0.00 1.12 0.00 0.00 29 G 8.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.55 4.95 0.00 3.19 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.56 4.91 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.21 4.96 0.00 1.69 1.44 0.88 0.45 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 33 N 7.91 5.05 0.00 2.46 2.53 0.00 0.00 6.96 7.85 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 34 L 8.05 3.98 0.00 1.80 1.72 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.05 4.63 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 4.09 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 0.85 0.00 0.00 0.96 0.00 0.00 37 C 8.05 4.45 0.00 3.15 2.83 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 0.00 0.00 0.00 38 S 8.09 3.33 0.00 3.70 3.65 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 0.00 39 K 7.35 4.36 0.00 1.64 1.55 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.41 7.81 40 C 7.95 4.58 0.00 2.91 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 41 H 8.09 4.41 0.00 3.27 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.68 0.00 2.23 2.16 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 43 F 8.90 4.93 0.00 3.29 3.04 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 44 F 6.72 3.78 0.00 2.59 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 0.00 0.00 0.00 0.00 45 T 6.96 3.74 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 1.37 0.00 0.00 46 G 7.59 3.62 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 0.00 47 K 7.80 4.27 0.00 2.00 1.89 0.00 1.25 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 1.41 7.81 48 Q 9.37 4.57 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 49 R 7.64 4.26 0.00 1.93 2.09 0.00 2.94 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 50 D 7.27 3.66 0.00 2.90 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 51 V 7.24 3.41 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 0.98 0.00 0.00 0.97 0.00 0.00 52 A 7.97 4.13 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 53 T 7.86 3.91 4.29 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 1.19 0.00 0.00 54 G 8.12 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 55 G 8.19 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 0.00 0.00 0.00 56 R 7.44 4.31 0.00 1.76 1.94 0.00 3.09 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 57 V 7.53 4.36 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 0.69 0.00 0.00 0.92 0.00 0.00 58 D 7.52 4.71 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.27 0.00 1.98 1.91 0.00 3.34 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 60 F 8.64 4.12 0.00 3.04 2.94 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 61 N 9.03 5.07 0.00 2.89 3.09 0.00 0.00 6.73 7.57 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 62 K 8.52 4.11 0.00 1.91 2.02 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.49 7.81 63 R 8.30 4.29 0.00 2.06 2.05 0.00 3.30 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 64 F 8.57 4.20 0.00 2.97 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 65 N 9.04 4.42 0.00 3.02 2.86 0.00 0.00 7.16 7.74 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 66 I 7.42 3.65 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.88 0.00 0.00 67 P 0.00 4.49 0.00 2.10 2.12 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 68 G 7.88 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.58 4.04 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.19 0.00 1.70 1.62 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.45 7.81