NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5837 8.3049 120.3271 55.7042 33.6677 173.8126 2 N 4.3533 8.5571 115.5705 51.4727 43.0247 169.3549 3 V 3.9173 8.4254 119.7022 64.9445 32.8307 175.0689 4 G 4.1240 8.6507 114.3682 45.2112 0.0000 173.9896 5 D 4.5840 7.9392 118.8436 54.3050 42.2083 175.4460 6 R 4.9696 8.4240 120.7619 55.0429 32.7636 175.2026 7 V 4.8581 8.2229 117.4703 59.8902 36.8001 173.8259 8 R 5.0832 8.1699 121.3013 54.4233 33.4311 174.9223 9 V 4.0069 8.7470 126.4116 63.4751 31.0499 175.5435 10 T 4.4459 8.1571 116.0109 61.4715 69.1350 174.9542 11 S 4.6148 7.6350 117.5197 56.4446 66.9303 172.7913 12 S 4.3034 8.7564 117.7876 59.3012 62.7326 173.9463 13 V 4.2584 8.5717 126.6022 61.3939 34.2185 174.3338 14 V 4.6246 8.3310 129.0340 61.0149 31.5478 175.3693 15 V 4.4766 7.9444 122.5380 60.6692 34.3910 175.8749 16 Y 4.9261 8.8392 114.2604 57.8305 41.4589 176.2146 17 H 5.0521 8.6008 114.3616 55.5164 29.2975 173.9402 18 H 4.3133 8.2187 121.0032 55.1364 30.2203 173.8694 19 P 4.2190 0.0000 0.0000 65.9482 31.2255 177.1838 20 E 3.8300 8.2959 118.4750 58.8275 29.8853 177.6083 21 H 4.8881 7.1341 115.0349 54.9752 29.5838 173.5550 22 K 4.0803 7.9647 117.0914 57.5340 32.8058 176.7523 23 K 3.9664 8.5670 121.2331 57.3418 31.6359 174.9036 24 T 5.0087 7.8478 112.0941 61.6168 72.0385 173.4651 25 A 3.2686 8.6770 126.3388 52.2986 19.5624 176.8580 26 F 4.5065 7.9220 119.0576 57.4485 43.6789 172.6591 27 D 4.6595 8.1266 126.5388 53.5676 41.6568 176.0122 28 L 3.7572 8.9644 127.4933 56.0201 42.1432 176.8485 29 Q 4.1533 8.4008 120.4183 57.8257 29.0744 176.3809 30 G 4.0971 8.6368 113.4242 45.7534 0.0000 173.9599 31 M 4.3586 7.9541 119.6048 55.2169 33.4153 175.6036 32 E 5.6470 8.5146 121.4988 53.8226 31.4039 175.5184 33 G 3.8011 8.5474 115.7701 45.5328 0.0000 171.8311 34 E 4.7965 8.3035 123.3739 54.6034 33.9593 174.8951 35 V 3.8983 8.5490 127.5637 63.6371 31.9286 175.9200 36 A 4.6518 9.1837 130.0832 52.4392 20.7067 176.2487 37 A 4.3612 7.3390 114.0870 51.3117 22.5957 175.9144 38 V 4.7815 8.3988 119.4251 61.0272 33.7469 175.4314 39 L 4.4902 8.9449 129.6511 54.5528 40.8653 176.8607 40 T 4.5319 8.6376 113.4500 61.3194 70.7970 173.4630 41 E 5.0101 7.7937 118.8879 54.8360 33.6238 175.1942 42 W 4.2560 8.8214 127.0897 58.0294 31.7311 173.2825 43 Q 3.4439 8.4551 125.4935 56.5581 25.0221 174.8256 44 G 4.0715 8.4989 108.1973 45.2934 0.0000 174.7247 45 R 4.4475 7.5871 118.6311 54.0177 31.3544 174.1684 46 P 4.7422 0.0000 0.0000 62.7413 31.8722 175.7486 47 I 4.5834 8.0558 115.8200 59.3798 40.1006 175.1987 48 S 4.5949 8.0650 112.8885 57.1329 62.8804 174.5112 49 A 4.0012 8.1288 124.5848 53.4694 18.4715 178.5411 50 N 4.7456 8.7205 119.9794 54.2506 38.2865 175.2955 51 L 4.9041 7.3010 117.1101 53.0642 42.5312 174.8371 52 P 4.4125 0.0000 0.0000 64.8340 33.0005 177.5987 53 V 4.3620 8.0287 122.2373 61.6394 32.8538 174.2068 54 L 4.8755 9.1368 131.7427 53.6328 43.7193 175.0421 55 V 4.7212 8.7497 126.6445 60.9964 34.4595 174.1489 56 K 4.5541 8.9426 127.4881 55.1780 33.7385 175.8082 57 F 5.1941 8.9913 127.3091 56.4193 41.1128 174.4945 58 E 4.3910 9.0831 121.7475 58.0139 30.5792 176.3007 59 Q 3.6190 8.5629 120.9997 60.9679 25.2062 175.1338 60 R 3.6308 7.5275 112.5918 57.3547 27.7271 176.3539 61 F 5.0088 7.6323 123.1397 56.1971 43.1080 172.9843 62 K 5.0088 7.7192 124.7414 55.5524 35.7647 174.7485 63 A 4.5216 8.9081 122.0227 51.0979 23.3200 174.4129 64 H 5.1371 8.2216 115.8354 54.4164 30.7121 174.6203 65 F 5.1935 9.2191 120.4037 55.9765 44.0104 174.3737 66 R 4.7073 8.9960 119.1468 54.4954 31.2753 176.3919 67 P 4.3306 0.0000 0.0000 65.7545 31.4088 178.6582 68 D 4.4413 7.9961 115.9499 55.4855 39.7079 176.7046 69 E 4.3587 7.9977 118.0918 56.4571 29.7162 176.1727 70 V 4.6677 7.3789 111.6258 59.9015 35.7399 174.8911 71 T 4.6172 8.1582 119.5819 61.2775 71.7455 173.5724 72 L 4.2203 8.7526 128.2215 55.4415 43.1663 175.8952 73 I 4.4548 8.2772 124.6841 59.4418 39.6293 175.7296 74 E 4.5815 9.1720 125.4045 56.2645 29.3453 176.2385 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 4.58 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 N 8.56 4.35 0.00 2.68 2.64 0.00 0.00 7.03 6.80 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 3 V 8.43 3.92 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 0.82 0.00 0.00 0.93 0.00 0.00 4 G 8.65 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.94 4.58 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.97 0.00 1.86 1.74 0.00 3.13 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 7 V 8.22 4.86 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 0.68 0.00 0.00 0.80 0.00 0.00 8 R 8.17 5.08 0.00 1.86 1.70 0.00 3.09 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 9 V 8.75 4.01 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 0.92 0.00 0.00 0.90 0.00 0.00 10 T 8.16 4.45 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 1.27 0.00 0.00 11 S 7.64 4.61 0.00 3.86 3.74 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 12 S 8.76 4.30 0.00 3.86 3.81 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 0.00 0.00 0.00 0.00 13 V 8.57 4.26 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 1.17 0.00 0.00 1.23 0.00 0.00 14 V 8.33 4.62 2.02 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 0.96 0.00 0.00 0.83 0.00 0.00 15 V 7.94 4.48 2.39 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 0.99 0.00 0.00 1.18 0.00 0.00 16 Y 8.84 4.93 0.00 2.97 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 17 H 8.60 5.05 0.00 3.40 3.48 0.00 5.52 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 18 H 8.22 4.31 0.00 3.09 2.93 0.00 5.69 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 19 P 0.00 4.22 0.00 2.18 2.21 0.00 3.26 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 20 E 8.30 3.83 0.00 1.42 1.12 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 0.00 1.83 1.94 0.00 21 H 7.13 4.89 0.00 2.94 3.08 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.96 4.08 0.00 1.75 1.81 0.00 2.06 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.44 7.81 23 K 8.57 3.97 0.00 1.86 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 24 T 7.85 5.01 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 1.27 0.00 0.00 25 A 8.68 3.27 1.11 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 26 F 7.92 4.51 0.00 2.91 2.76 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 27 D 8.13 4.66 0.00 2.45 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 28 L 8.96 3.76 0.00 1.84 1.68 1.34 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.40 4.15 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 30 G 8.64 4.10 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 0.00 0.00 0.00 31 M 7.95 4.36 0.00 1.86 1.68 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 32 E 8.51 5.65 0.00 1.90 1.93 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 2.24 2.17 0.00 33 G 8.55 3.80 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 0.00 34 E 8.30 4.80 0.00 1.96 1.66 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 0.00 2.16 2.41 0.00 35 V 8.55 3.90 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 0.91 0.00 0.00 0.91 0.00 0.00 36 A 9.18 4.65 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 37 A 7.34 4.36 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.40 4.78 2.10 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 0.88 0.00 0.00 0.95 0.00 0.00 39 L 8.94 4.49 0.00 1.60 1.71 1.04 0.83 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 40 T 8.64 4.53 4.27 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 1.24 0.00 0.00 41 E 7.79 5.01 0.00 1.93 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 2.23 2.29 0.00 42 W 8.82 4.26 0.00 3.47 3.03 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 0.00 0.00 0.00 43 Q 8.46 3.44 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 44 G 8.50 4.07 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 0.00 0.00 0.00 45 R 7.59 4.45 0.00 1.94 1.90 0.00 3.32 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 46 P 0.00 4.74 0.00 2.06 2.01 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 47 I 8.06 4.58 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 1.00 0.00 0.00 48 S 8.06 4.59 0.00 3.93 3.90 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 49 A 8.13 4.00 1.27 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 0.00 0.00 50 N 8.72 4.75 0.00 2.83 2.95 0.00 0.00 6.04 7.79 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 51 L 7.30 4.90 0.00 1.61 1.59 0.88 1.01 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 52 P 0.00 4.41 0.00 2.15 2.42 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 53 V 8.03 4.36 2.36 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 1.06 0.00 0.00 0.99 0.00 0.00 54 L 9.14 4.88 0.00 1.75 1.66 0.60 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.75 4.72 2.23 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 0.31 0.00 0.00 0.97 0.00 0.00 56 K 8.94 4.55 0.00 1.60 1.66 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.34 7.81 57 F 8.99 5.19 0.00 3.52 3.24 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 58 E 9.08 4.39 0.00 2.08 1.96 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 2.37 2.47 0.00 59 Q 8.56 3.62 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 60 R 7.53 3.63 0.00 1.93 2.21 0.00 3.18 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 61 F 7.63 5.01 0.00 3.03 2.85 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 62 K 7.72 5.01 0.00 1.74 1.62 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.27 7.81 63 A 8.91 4.52 1.01 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 64 H 8.22 5.14 0.00 2.89 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.22 5.19 0.00 2.99 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 66 R 9.00 4.71 0.00 1.96 1.90 0.00 3.19 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 67 P 0.00 4.33 0.00 2.20 2.12 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 68 D 8.00 4.44 0.00 2.78 2.82 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 0.00 0.00 0.00 0.00 69 E 8.00 4.36 0.00 2.17 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 0.00 2.40 2.33 0.00 70 V 7.38 4.67 1.96 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 0.24 0.00 0.00 0.99 0.00 0.00 71 T 8.16 4.62 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 1.20 0.00 0.00 72 L 8.75 4.22 0.00 1.62 1.56 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.28 4.45 1.87 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 1.22 0.92 0.91 0.00 0.00 74 E 9.17 4.58 0.00 2.03 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 0.00 2.12 2.08 0.00