NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6769 8.2833 119.1990 53.1217 39.2411 174.5907 7 I 3.4322 8.1624 127.0067 63.3359 37.1393 176.3286 8 Q 3.7762 8.7344 121.1811 59.3322 29.3227 177.6661 9 D 4.2009 7.8817 119.4139 57.0098 40.9270 178.4946 10 K 3.7967 7.9738 120.0442 59.2432 32.1278 178.7803 11 A 3.3507 7.8538 121.2014 55.0311 18.2263 179.6825 12 L 3.4342 7.4697 117.7093 57.4450 41.3324 179.4119 13 E 4.1509 7.8247 120.7856 58.8586 29.5429 178.7280 14 N 4.3058 7.9008 116.5272 56.2042 38.6000 177.4165 15 F 4.5702 8.0120 120.9829 59.9071 38.8433 177.7375 16 K 4.3475 8.6469 120.3508 59.0948 31.9090 178.8171 17 A 4.0724 8.2033 119.9742 54.5304 18.3375 178.3548 18 N 4.7276 8.1639 111.9135 51.9286 39.3723 174.8925 19 Q 3.4915 7.8884 118.2481 57.0523 26.9464 174.3220 20 T 4.0377 7.7382 113.8656 63.5694 69.8850 174.1789 21 E 4.4747 8.6504 127.4625 56.0843 30.3199 176.0428 22 V 4.5344 8.9131 119.8631 59.8144 36.4973 174.4516 23 T 4.7383 8.7401 120.1696 61.8900 70.9303 173.5174 24 V 4.3610 8.6183 127.2448 61.4177 33.3197 174.4185 25 F 4.8119 8.9432 127.2303 56.0851 41.2304 175.6676 26 F 4.9921 9.0940 121.9142 55.8096 40.9474 177.0338 27 L 4.3590 9.1608 119.9053 57.3673 41.3961 178.4410 28 N 4.6468 8.3592 113.2361 52.8800 37.5816 175.8912 29 G 4.1141 8.5977 108.6034 45.3015 0.0000 173.7568 30 F 4.8662 8.5653 122.6344 58.3632 40.7605 173.7235 31 Q 4.5808 6.2311 118.6886 54.7240 31.8509 173.7794 32 M 4.4870 8.4080 119.5804 53.9793 36.0266 173.2187 33 K 4.7430 8.2257 127.1481 54.9744 34.3161 175.9563 34 G 4.0483 7.9652 111.8991 46.4896 0.0000 171.2594 35 V 4.9102 7.8435 120.0952 61.0208 34.6540 176.2926 36 I 4.4983 8.3337 128.4244 61.3518 37.4096 176.1029 37 E 4.3489 9.3014 128.0199 58.0793 30.7099 176.5356 38 E 4.7607 7.8836 116.7387 55.7367 33.6306 173.1164 39 Y 5.1133 7.5775 116.3344 56.8859 40.4115 173.4478 40 D 4.6221 8.7786 119.3615 52.5352 41.6702 174.5935 41 K 3.8907 8.7994 118.4322 59.3625 32.3092 177.8946 42 Y 4.9141 8.8721 114.7254 57.6675 40.2393 175.2149 43 V 5.1579 7.8852 111.5356 59.5904 36.9890 174.2926 44 V 4.8373 8.8705 121.6660 61.3432 34.8581 174.0438 45 S 5.1661 9.4439 123.3123 56.8328 64.0019 172.1832 46 L 5.1656 9.1566 130.3173 53.2885 44.6328 174.3091 47 N 5.2017 9.1900 126.0428 52.4906 40.7218 173.7642 48 S 4.6146 9.4350 121.4578 58.2476 66.0889 173.5812 49 Q 3.3140 9.7953 121.7937 58.0232 26.6731 173.9018 50 G 3.9898 8.1799 107.0326 46.6297 0.0000 171.2331 51 K 4.5777 7.9647 117.9599 54.2455 35.9611 174.7333 52 Q 4.8570 8.4460 122.9943 54.7128 31.2343 174.2147 53 H 4.8798 9.2288 122.9838 53.9404 32.2035 172.2439 54 L 4.8891 8.6881 126.0893 53.8861 42.8865 175.2729 55 I 4.6148 8.8227 128.2382 59.6365 39.9697 175.0290 56 Y 4.7074 8.4878 124.3439 57.2274 38.8528 176.8534 57 K 4.0461 9.2944 124.8821 59.7134 32.3991 178.9597 58 H 4.2599 8.4584 112.8947 57.7437 28.5717 175.6585 59 A 4.6519 8.2984 122.1123 52.0947 19.5298 176.3305 60 I 4.3240 7.6230 117.7710 60.6010 38.6187 175.6890 61 S 4.5980 9.1299 121.3240 60.6173 64.4091 174.3835 62 T 4.8577 7.4368 114.0130 62.2645 73.0911 172.1252 63 Y 5.2397 8.6584 121.7805 56.4660 40.3407 175.2410 64 T 4.8664 9.2138 114.1109 60.1538 72.0754 173.3423 65 V 4.7534 8.1956 115.3633 59.3592 36.3781 175.1304 66 E 4.1210 8.7187 120.3343 56.9814 29.2996 177.2713 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 6 N 8.28 4.68 0.00 2.75 2.78 0.00 0.00 7.08 7.06 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 7 I 8.16 3.43 1.83 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 1.48 0.60 0.85 0.00 0.00 8 Q 8.73 3.78 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 9 D 7.88 4.20 0.00 2.69 2.71 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 10 K 7.97 3.80 0.00 1.84 1.81 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.37 7.81 11 A 7.85 3.35 0.80 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.47 3.43 0.00 0.79 0.13 0.63 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.82 4.15 0.00 2.26 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 0.00 2.42 2.38 0.00 14 N 7.90 4.31 0.00 2.68 2.76 0.00 0.00 7.05 8.27 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 15 F 8.01 4.57 0.00 3.01 2.89 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 16 K 8.65 4.35 0.00 2.05 2.18 0.00 1.85 0.00 0.00 1.92 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 17 A 8.20 4.07 1.35 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 0.00 0.00 18 N 8.16 4.73 0.00 2.88 2.87 0.00 0.00 7.14 7.23 0.00 0.00 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 Q 7.89 3.49 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 20 T 7.74 4.04 4.15 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 1.10 0.00 0.00 21 E 8.65 4.47 0.00 1.92 1.80 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 0.00 2.24 2.34 0.00 22 V 8.91 4.53 1.76 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 -0.19 0.00 0.00 0.83 0.00 0.00 23 T 8.74 4.74 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 0.77 0.00 0.00 24 V 8.62 4.36 1.71 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 0.29 0.00 0.00 0.85 0.00 0.00 25 F 8.94 4.81 0.00 2.83 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 26 F 9.09 4.99 0.00 3.20 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 27 L 9.16 4.36 0.00 1.74 1.82 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.36 4.65 0.00 2.88 2.98 0.00 0.00 6.21 7.00 0.00 0.00 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 G 8.60 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.57 4.87 0.00 3.14 3.08 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 31 Q 6.23 4.58 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.44 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 32 M 8.41 4.49 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 33 K 8.23 4.74 0.00 1.66 1.57 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.33 7.81 34 G 7.97 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.84 4.91 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 1.07 0.00 0.00 0.99 0.00 0.00 36 I 8.33 4.50 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 1.09 0.00 0.00 37 E 9.30 4.35 0.00 1.86 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 38 E 7.88 4.76 0.00 2.00 1.75 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 2.30 2.31 0.00 39 Y 7.58 5.11 0.00 3.31 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 40 D 8.78 4.62 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 3.89 0.00 1.53 1.46 0.00 1.53 0.00 0.00 1.37 0.00 0.00 2.53 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 1.05 7.81 42 Y 8.87 4.91 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 43 V 7.89 5.16 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 0.65 0.00 0.00 1.01 0.00 0.00 44 V 8.87 4.84 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 0.96 0.00 0.00 1.13 0.00 0.00 45 S 9.44 5.17 0.00 3.91 3.85 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 46 L 9.16 5.17 0.00 1.79 1.55 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.19 5.20 0.00 2.89 2.69 0.00 0.00 6.17 7.21 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 48 S 9.44 4.61 0.00 3.92 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 49 Q 9.80 3.31 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 50 G 8.18 3.99 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 0.00 0.00 0.00 51 K 7.96 4.58 0.00 1.94 1.42 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.51 7.81 52 Q 8.45 4.86 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 53 H 9.23 4.88 0.00 3.12 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.69 4.89 0.00 1.60 1.52 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.82 4.61 2.04 0.00 0.00 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 1.48 0.79 1.10 0.00 0.00 56 Y 8.49 4.71 0.00 2.92 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.29 4.05 0.00 1.97 1.99 0.00 1.94 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.63 1.54 7.81 58 H 8.46 4.26 0.00 3.25 3.53 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.30 4.65 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.32 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.77 0.32 0.00 0.00 61 S 9.13 4.60 0.00 3.84 3.87 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 T 7.44 4.86 4.15 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 1.17 0.00 0.00 63 Y 8.66 5.24 0.00 2.95 2.89 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 64 T 9.21 4.87 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 1.30 0.00 0.00 65 V 8.20 4.75 2.07 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 0.44 0.00 0.00 1.05 0.00 0.00 66 E 8.72 4.12 0.00 1.96 1.87 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 2.30 2.25 0.00