NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.6891 8.3149 120.0199 56.8698 33.9315 174.6451 4 K 4.4295 8.8905 119.7822 53.4227 36.9050 173.4684 5 S 4.6486 8.9607 117.7681 59.4707 63.9353 172.9835 6 R 4.6627 9.3552 121.6021 54.3628 33.6027 173.4973 7 L 4.9702 8.3731 121.3261 54.1966 42.2062 176.0607 8 W 4.9350 10.0279 128.4047 55.9381 31.5084 175.9468 9 V 5.0059 9.4463 122.3674 61.1956 34.8080 174.9614 10 D 4.8154 8.0226 126.8814 52.3417 40.9460 177.2488 11 R 3.8376 8.8488 119.4397 59.6121 29.8376 177.8403 12 S 4.2088 8.5282 110.3132 58.9371 63.4121 174.5159 13 G 3.7712 7.6889 109.1064 46.9050 0.0000 175.0018 14 T 4.2230 8.2571 118.3617 64.6856 69.4573 175.3591 15 F 5.2786 8.8559 116.1673 54.6405 41.2962 174.3751 16 K 5.3319 8.9007 119.8344 55.5231 35.1478 175.7440 17 V 4.7461 9.1452 117.0366 59.3833 36.2806 174.2853 18 D 5.3886 8.8134 124.0863 53.3413 40.7637 175.0023 19 A 4.9740 9.5581 123.7423 50.9673 23.3775 174.2317 20 E 5.3195 9.0619 120.8725 54.2965 32.9528 174.7950 21 F 4.7097 9.3528 128.0637 58.5283 39.7924 174.1413 22 I 4.0369 7.5592 126.2697 62.1116 38.9276 176.3949 23 G 3.6870 6.4339 104.8833 45.2074 0.0000 171.3945 24 C 5.5173 9.1029 123.7746 57.4014 33.7916 172.9442 25 A 4.5746 9.2100 128.1560 52.0334 22.0043 176.2099 26 K 4.0021 9.7824 119.8982 57.4119 29.8172 176.8578 27 G 4.0125 8.4802 106.1530 45.0744 0.0000 173.4016 28 K 4.9840 7.9675 118.6529 54.4675 36.1729 174.9868 29 I 4.7883 8.7117 122.7944 59.9034 39.8380 174.8135 30 H 4.7934 9.4963 125.7258 55.3841 29.9115 174.5433 31 L 5.0750 8.8084 123.1489 53.0265 45.6844 175.2542 32 H 5.2066 9.1442 123.5729 54.0775 31.3898 173.6553 33 K 5.0922 9.4265 125.9272 56.0166 32.7386 178.4962 34 A 4.0448 8.7546 124.8514 54.4060 18.6239 178.4460 35 N 4.3489 8.0261 113.6558 54.9026 39.1283 175.7877 36 G 3.9551 8.1964 105.9165 45.2094 0.0000 173.0008 37 V 4.3286 7.4722 119.2884 60.8932 33.9791 174.1438 38 K 5.0377 8.5636 128.2312 54.8120 33.7088 174.9659 39 I 4.6914 9.0415 119.9764 58.9165 41.8369 173.9953 40 A 4.8168 8.3203 122.6053 50.2660 21.1358 175.4710 41 V 4.3446 8.3762 122.3819 61.2067 33.8209 174.8707 42 A 4.4209 8.6546 129.7840 51.9340 18.9172 178.0183 43 A 4.1183 8.8256 126.0304 53.7298 18.6314 177.8297 44 D 5.1360 8.1038 114.2257 53.8130 40.7534 177.3407 45 K 4.4609 7.9074 118.0722 56.3790 32.7058 175.7007 46 L 4.6894 7.6464 121.4081 53.8665 44.2919 175.1425 47 S 4.5927 8.1988 114.3486 57.1290 63.4088 174.5295 48 N 4.4023 8.7838 123.3808 56.5674 38.2348 177.6337 49 E 3.9272 8.0341 119.4228 59.5027 29.7150 178.8001 50 D 3.9843 7.9824 118.3933 57.2786 40.8373 178.8298 51 L 4.0798 8.0890 119.2026 57.7794 41.4467 179.3098 52 A 4.7589 8.1978 121.4129 54.7226 18.5322 178.9168 53 Y 4.1082 8.0750 118.2594 60.9235 38.9365 178.5509 54 V 3.1249 7.8703 120.0256 64.4019 31.4132 177.8389 55 E 3.9789 8.7885 119.8433 59.5838 29.0922 179.5849 56 K 3.9292 7.5990 117.1424 59.1898 32.1826 179.2529 57 I 3.7095 7.1666 119.3233 63.9234 37.0873 177.7382 58 T 4.1095 7.4219 109.4253 63.9382 69.5173 176.1324 59 G 3.7484 8.1836 107.5734 44.6050 0.0000 173.3768 60 F 4.8466 7.0931 117.9597 56.3078 40.6947 174.4305 61 S 5.5325 8.5663 114.5401 56.3579 64.3577 173.4395 62 L 5.1338 8.7208 126.7498 54.6966 42.3581 177.9701 63 E 3.9888 8.0662 121.6600 59.2697 29.5319 179.4316 64 K 3.9108 8.0609 115.8336 59.3940 32.5431 177.5137 65 F 4.4468 8.0235 116.7791 58.2063 39.4212 175.9714 66 K 4.2754 7.9463 121.0836 55.8651 32.3951 176.9572 67 A 4.2653 8.5087 126.1963 53.2818 19.4388 176.6040 68 N 3.9705 7.8971 118.3225 54.6215 39.2395 173.9064 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 3 K 8.31 4.69 0.00 2.20 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.57 7.81 4 K 8.89 4.43 0.00 1.68 1.76 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.53 7.81 5 S 8.96 4.65 0.00 3.95 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 6 R 9.36 4.66 0.00 1.61 1.99 0.00 2.21 0.00 0.00 2.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.00 7 L 8.37 4.97 0.00 1.68 1.61 0.95 1.07 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 8 W 10.03 4.94 0.00 3.34 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.45 5.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 10 D 8.02 4.82 0.00 2.52 1.54 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 11 R 8.85 3.84 0.00 1.91 2.05 0.00 3.32 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 12 S 8.53 4.21 0.00 3.96 3.95 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 13 G 7.69 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 14 T 8.26 4.22 4.35 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 0.00 0.00 0.00 1.31 0.00 0.00 15 F 8.86 5.28 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.90 5.33 0.00 1.80 1.83 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.49 7.81 17 V 9.15 4.75 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 0.86 0.00 0.00 1.14 0.00 0.00 18 D 8.81 5.39 0.00 2.78 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 19 A 9.56 4.97 0.92 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 20 E 9.06 5.32 0.00 2.11 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 2.52 2.51 0.00 21 F 9.35 4.71 0.00 3.47 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 4.04 1.62 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 1.09 0.75 0.79 0.00 0.00 23 G 6.43 3.69 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 0.00 24 C 9.10 5.52 0.00 3.51 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 25 A 9.21 4.57 1.24 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 0.00 0.00 0.00 26 K 9.78 4.00 0.00 1.94 1.93 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.38 7.81 27 G 8.48 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.97 4.98 0.00 1.74 1.64 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 29 I 8.71 4.79 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 1.08 0.00 0.00 30 H 9.50 4.79 0.00 2.93 3.10 0.00 5.55 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.81 5.07 0.00 1.30 1.21 0.11 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.14 5.21 0.00 3.07 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.43 5.09 0.00 1.76 1.90 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.38 7.81 34 A 8.75 4.04 1.32 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 35 N 8.03 4.35 0.00 2.81 2.83 0.00 0.00 7.44 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 36 G 8.20 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 37 V 7.47 4.33 2.04 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 1.00 0.00 0.00 0.91 0.00 0.00 38 K 8.56 5.04 0.00 1.81 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.33 7.81 39 I 9.04 4.69 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.38 0.82 0.00 0.00 40 A 8.32 4.82 1.06 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 0.00 0.00 41 V 8.38 4.34 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 1.27 0.00 0.00 0.81 0.00 0.00 42 A 8.65 4.42 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 43 A 8.83 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.10 5.14 0.00 3.02 3.35 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 0.00 0.00 0.00 0.00 45 K 7.91 4.46 0.00 2.08 2.11 0.00 1.45 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.62 7.81 46 L 7.65 4.69 0.00 1.87 1.74 1.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.20 4.59 0.00 4.15 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 48 N 8.78 4.40 0.00 2.85 2.88 0.00 0.00 7.06 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 49 E 8.03 3.93 0.00 1.89 1.89 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 2.36 2.29 0.00 50 D 7.98 3.98 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.09 4.08 0.00 1.91 1.79 1.10 0.85 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 52 A 8.20 4.76 1.37 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 0.00 0.00 0.00 53 Y 8.08 4.11 0.00 2.84 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 54 V 7.87 3.12 2.20 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 1.03 0.00 0.00 0.11 0.00 0.00 55 E 8.79 3.98 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 56 K 7.60 3.93 0.00 1.74 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.58 7.81 57 I 7.17 3.71 1.47 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 -0.02 1.05 0.00 0.00 58 T 7.42 4.11 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 1.21 0.00 0.00 59 G 8.18 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 0.00 0.00 0.00 60 F 7.09 4.85 0.00 3.11 2.98 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 0.00 0.00 0.00 0.00 61 S 8.57 5.53 0.00 3.85 3.79 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 0.00 0.00 0.00 0.00 62 L 8.72 5.13 0.00 1.86 1.85 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.07 3.99 0.00 2.14 1.98 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 0.00 2.33 2.33 0.00 64 K 8.06 3.91 0.00 1.60 1.80 0.00 1.37 0.00 0.00 1.15 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 0.76 7.81 65 F 8.02 4.45 0.00 3.30 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.28 0.00 1.94 1.78 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.28 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.76 7.81 67 A 8.51 4.27 1.30 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 0.00 0.00 0.00 68 N 7.90 3.97 0.00 2.67 2.66 0.00 0.00 6.84 7.56 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