NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3208 8.1593 112.9339 60.6754 69.0323 172.4184 2 W 4.5491 8.0839 124.8588 55.4326 29.8982 175.7238 3 L 4.3126 5.6793 121.3143 52.1128 41.3249 174.6726 4 P 4.2902 0.0000 0.0000 65.0504 32.0049 177.5917 5 T 4.5771 7.2606 105.5841 60.2074 71.2573 173.1861 6 L 4.3435 8.1502 121.0399 55.1564 42.5577 177.5328 7 V 3.7236 7.5441 119.3228 62.9642 31.9802 175.1384 8 T 4.7547 8.2802 122.4053 61.5818 72.2294 173.5093 9 A 4.2474 8.5696 129.0629 55.0894 18.7219 178.2607 10 T 4.4654 7.6214 104.5992 58.8400 73.0343 172.9977 11 P 2.0000 0.0000 0.0000 64.7794 31.0862 178.6784 12 Q 3.8216 7.6138 117.8842 59.3576 28.9715 178.0791 13 E 4.3380 7.8086 117.1142 58.2416 29.4752 179.4105 14 G 3.9669 7.7958 106.7131 47.7285 0.0000 175.7141 15 F 4.2496 8.4397 123.0557 60.8625 39.3059 177.3015 16 D 4.4208 8.3709 118.7779 57.2706 40.6972 178.3929 17 L 3.9713 7.8764 120.6002 58.0150 42.1075 178.6537 18 A 3.9562 8.1690 120.6896 55.2995 18.3646 179.5531 19 V 3.4469 7.7892 116.7505 66.0371 31.4456 177.9752 20 K 3.8529 8.2050 119.2797 59.7091 31.9733 178.3720 21 L 4.0036 8.4075 119.4285 58.2290 41.0710 179.8409 22 S 4.2845 8.0089 114.6774 61.8250 62.8496 177.0909 23 R 3.9906 7.8885 120.8931 59.0013 29.7177 179.1155 24 I 3.5075 8.0610 113.0650 63.5891 37.5133 178.1474 25 A 3.9089 7.5443 121.3846 55.1474 18.1510 179.7191 26 V 3.5973 7.2289 113.3403 65.4542 31.5911 178.3035 27 K 3.9954 7.7645 119.6771 59.2577 31.8021 179.0384 28 K 4.0121 8.0017 118.4085 59.5009 32.0412 179.2585 29 T 4.2396 7.5803 108.5136 63.3799 69.4671 174.5159 30 Q 4.4281 8.0326 126.0024 53.0495 28.7920 172.7373 31 P 4.5141 0.0000 0.0000 63.7793 32.3652 177.0580 32 D 4.4876 8.1490 119.2836 53.7582 39.0722 175.7535 33 A 4.0310 8.4539 127.5987 54.7438 18.3812 178.9279 34 Q 3.8504 8.0825 117.6081 59.6492 29.2422 178.9031 35 V 3.7009 7.9049 113.2786 64.2979 31.6381 178.6712 36 R 3.9804 8.0397 117.5460 59.4225 29.3433 178.5919 37 D 4.3912 8.0302 118.5664 57.6559 39.9645 178.8747 38 T 3.9109 7.6913 115.7362 66.7163 68.4339 176.5668 39 L 4.2905 8.1201 120.4845 56.9790 41.7145 179.1886 40 R 4.0494 7.9778 118.6277 59.5965 29.8071 178.3479 41 A 4.3615 7.4792 118.9027 53.7200 18.0810 179.0016 42 V 3.9631 7.0529 113.7326 65.3557 32.1463 177.5123 43 Y 4.0639 8.2225 117.6787 59.5012 38.0222 177.3194 44 E 3.4943 7.6911 118.6844 57.7080 29.7206 178.1154 45 K 4.5654 7.3583 117.0925 56.2382 33.1237 175.3284 46 D 4.8911 8.1688 119.5483 52.8601 43.6791 176.6240 47 A 3.9652 8.4146 128.8922 55.5704 18.8339 179.4985 48 N 4.2942 8.3288 114.2046 56.5219 38.5339 177.3596 49 A 4.0560 8.3115 122.0163 55.1593 18.4086 179.7379 50 L 4.0894 7.8512 117.1775 57.9210 41.4696 179.8123 51 I 3.7388 7.7518 118.8908 64.0523 37.3306 177.8819 52 A 4.1283 8.1090 121.6968 55.2369 18.1627 179.4682 53 V 3.4411 7.8596 116.7133 66.5963 31.5688 178.0162 54 S 4.1347 8.3708 112.3548 61.3609 62.0216 176.1511 55 A 3.9400 7.9250 123.3735 55.0944 18.2278 179.4220 56 V 3.5099 7.8471 116.2905 66.6435 31.5066 178.6087 57 V 3.7667 7.9131 112.3472 63.5494 31.1225 178.4893 58 A 4.1982 7.9073 120.8977 55.2893 17.9687 179.8379 59 T 3.8859 7.9400 113.7252 67.0321 68.8139 176.4823 60 H 4.3919 8.2468 118.1395 58.9237 28.7633 177.5453 61 F 4.2638 8.9002 122.7933 61.4650 38.7008 176.8388 62 Q 4.0408 8.0828 119.3262 59.3682 28.7721 178.6150 63 T 3.8361 7.8294 116.7289 66.6346 68.6027 176.7743 64 I 3.5127 7.5822 119.7279 63.8743 38.0933 177.3102 65 A 2.9766 7.8921 121.8402 55.0385 18.1665 179.5401 66 A 2.8399 7.0704 118.1159 54.7487 18.1607 179.6997 67 A 3.8444 7.3435 118.2283 54.2398 18.1732 178.5060 68 N 4.2238 7.2945 113.6148 51.6708 38.6707 174.5764 69 D 3.7422 7.7977 118.1817 55.4879 40.1919 173.5292 70 Y 3.3896 7.4709 111.2940 57.0229 36.3642 170.3777 71 W 3.9874 7.0494 124.7443 57.3827 29.9277 174.1174 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 T 8.16 4.32 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 2 W 8.08 4.55 0.00 3.67 3.26 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 3 L 5.68 4.31 0.00 0.27 0.19 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.29 0.00 2.16 2.10 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 5 T 7.26 4.58 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 1.17 0.00 0.00 6 L 8.15 4.34 0.00 1.57 1.68 0.85 0.86 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 7 V 7.54 3.72 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 0.78 0.00 0.00 0.87 0.00 0.00 8 T 8.28 4.75 4.55 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 0.00 0.00 0.00 1.57 0.00 0.00 9 A 8.57 4.25 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 10 T 7.62 4.47 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 1.18 0.00 0.00 11 P 0.00 2.00 0.00 1.79 1.62 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.40 0.00 12 Q 7.61 3.82 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 13 E 7.81 4.34 0.00 2.29 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 0.00 2.35 2.32 0.00 14 G 7.80 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 0.00 0.00 0.00 15 F 8.44 4.25 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.37 4.42 0.00 2.83 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 17 L 7.88 3.97 0.00 1.85 1.98 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.17 3.96 1.49 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 0.00 0.00 19 V 7.79 3.45 2.26 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 1.00 0.00 0.00 0.94 0.00 0.00 20 K 8.21 3.85 0.00 1.89 2.01 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.53 7.81 21 L 8.41 4.00 0.00 1.63 1.37 0.91 1.11 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 22 S 8.01 4.28 0.00 4.02 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 23 R 7.89 3.99 0.00 2.00 1.93 0.00 3.15 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 24 I 8.06 3.51 1.14 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.82 0.87 0.00 0.00 25 A 7.54 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.23 3.60 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.85 0.00 0.00 27 K 7.76 4.00 0.00 1.90 1.78 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.39 7.81 28 K 8.00 4.01 0.00 1.67 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.26 1.43 7.81 29 T 7.58 4.24 4.22 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 1.23 0.00 0.00 30 Q 8.03 4.43 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.05 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 31 P 0.00 4.51 0.00 2.19 2.12 0.00 3.41 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 32 D 8.15 4.49 0.00 2.75 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 33 A 8.45 4.03 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 34 Q 8.08 3.85 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 35 V 7.90 3.70 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 0.82 0.00 0.00 0.99 0.00 0.00 36 R 8.04 3.98 0.00 1.98 2.00 0.00 3.11 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 37 D 8.03 4.39 0.00 2.97 2.72 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 38 T 7.69 3.91 4.38 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 1.22 0.00 0.00 39 L 8.12 4.29 0.00 1.79 1.78 0.93 0.70 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 40 R 7.98 4.05 0.00 2.15 2.21 0.00 2.73 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 41 A 7.48 4.36 1.34 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 0.00 0.00 0.00 0.00 0.00 42 V 7.05 3.96 2.27 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 1.10 0.00 0.00 1.02 0.00 0.00 43 Y 8.22 4.06 0.00 3.19 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 44 E 7.69 3.49 0.00 1.86 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 2.22 2.08 0.00 45 K 7.36 4.57 0.00 1.75 1.84 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.31 7.81 46 D 8.17 4.89 0.00 2.91 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 47 A 8.41 3.97 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 48 N 8.33 4.29 0.00 2.92 2.91 0.00 0.00 6.90 7.11 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 49 A 8.31 4.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.09 0.00 1.90 1.79 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.75 3.74 1.89 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 1.48 0.49 0.93 0.00 0.00 52 A 8.11 4.13 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 53 V 7.86 3.44 2.28 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 1.02 0.00 0.00 0.86 0.00 0.00 54 S 8.37 4.13 0.00 3.97 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 55 A 7.92 3.94 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 56 V 7.85 3.51 2.21 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 1.07 0.00 0.00 0.96 0.00 0.00 57 V 7.91 3.77 1.81 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 0.85 0.00 0.00 0.56 0.00 0.00 58 A 7.91 4.20 1.48 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 0.00 0.00 59 T 7.94 3.89 4.34 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 0.00 0.00 1.17 0.00 0.00 60 H 8.25 4.39 0.00 3.32 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.90 4.26 0.00 3.03 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 62 Q 8.08 4.04 0.00 2.37 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 63 T 7.83 3.84 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 1.18 0.00 0.00 64 I 7.58 3.51 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 1.04 0.00 0.00 65 A 7.89 2.98 0.94 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 66 A 7.07 2.84 1.19 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 0.00 0.00 67 A 7.34 3.84 1.20 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 0.00 0.00 68 N 7.29 4.22 0.00 1.44 1.47 0.00 0.00 6.52 7.66 0.00 0.00 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 D 7.80 3.74 0.00 2.65 2.54 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 70 Y 7.47 3.39 0.00 3.15 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 71 W 7.05 3.99 0.00 3.65 3.06 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