NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8968 8.3549 109.7342 45.5151 0.0000 172.8979 2 S 4.5172 8.2192 119.9929 55.2603 66.6241 171.4225 3 S 4.2855 8.3597 116.4969 58.9578 64.5308 174.4039 4 G 3.7960 7.9960 108.8459 43.3955 0.0000 175.4045 5 S 2.7900 8.2246 111.8957 59.0917 59.4789 173.0262 6 S 4.2342 7.8350 113.8770 57.8544 65.8502 175.1363 7 G 4.0566 8.1780 112.8245 44.2186 0.0000 170.4254 8 E 4.6344 8.2237 120.3459 54.8677 30.9505 176.2007 9 A 4.3620 8.6758 127.3832 52.2544 19.6999 175.6944 10 H 5.1163 9.0102 119.2234 53.8810 33.2474 172.6110 11 R 4.6914 8.6325 123.4320 54.2616 31.4077 175.7051 12 V 3.8011 8.3638 127.1618 63.0524 32.7112 174.4395 13 L 4.9657 8.0800 126.8464 52.4525 44.0809 176.6513 14 F 4.0228 8.9233 120.9411 57.3698 38.8000 175.0716 15 G 3.7096 7.3742 118.1483 44.8033 0.0000 172.0352 16 F 4.6481 6.2839 124.2735 55.9058 41.3390 176.4885 17 V 3.9669 6.2615 125.6023 59.9233 31.0218 173.3191 18 P 4.5919 0.0000 0.0000 61.8522 28.9875 174.8155 19 E 4.3905 7.6986 125.3447 55.3437 29.4688 174.4372 20 T 4.4489 7.5782 114.1840 60.2538 71.4323 174.1838 21 K 4.0573 8.5684 120.6541 59.9428 32.6811 178.1324 22 E 3.9590 7.9232 120.2826 58.6232 30.0316 175.6429 23 E 4.5894 7.7199 117.2436 55.8841 30.1944 175.9449 24 L 4.1014 8.5489 127.1447 54.7700 42.8381 176.4562 25 Q 4.1388 8.8746 125.9639 56.5396 28.4619 176.1376 26 V 4.0695 8.0713 117.1422 59.7138 34.0503 175.1681 27 M 4.4881 7.6018 119.6275 52.5888 34.1311 173.9948 28 P 4.0397 0.0000 0.0000 64.3030 31.4603 176.5110 29 G 3.7955 8.4761 111.5753 45.3511 0.0000 172.4255 30 N 4.8663 7.5018 115.4651 51.7717 41.0736 173.9852 31 I 4.5262 8.2079 121.3964 60.1623 38.8759 175.8206 32 V 4.6682 8.0667 119.6675 59.5614 35.9144 174.7340 33 F 4.9765 8.6677 123.5669 56.7040 40.0136 175.1644 34 V 4.1186 9.0393 126.0079 63.1423 31.9254 176.4479 35 L 4.1893 9.1631 129.3567 57.2558 41.7662 176.8995 36 K 4.7554 7.7598 115.1273 55.0806 37.5159 174.9460 37 K 4.6434 8.4893 119.5702 55.4468 35.2242 177.1607 38 G 4.0113 8.1596 114.5707 44.5142 0.0000 172.0077 39 N 4.9657 8.3748 115.4975 53.9048 39.1169 174.3588 40 D 4.8718 7.7025 113.2443 53.4750 42.2795 175.7829 41 N 4.1182 8.4763 114.2216 53.9690 35.9069 173.8318 42 W 5.3372 7.6720 115.6529 54.8428 32.8971 173.9906 43 A 4.9451 9.3120 127.7630 50.5457 21.3350 175.5717 44 T 4.8507 8.1814 117.0874 63.0275 70.3349 174.7005 45 V 5.2016 8.3854 117.7141 58.9070 36.2457 174.0378 46 M 5.2999 8.5215 118.8697 54.2379 36.5504 174.9821 47 F 4.9689 9.4139 125.0260 58.0398 42.3704 173.5287 48 N 4.0969 9.5707 125.9905 54.5107 37.2089 173.9881 49 G 3.8990 8.5496 100.7950 45.5668 0.0000 173.6835 50 Q 4.6212 8.2796 118.3306 53.4706 31.4867 174.5252 51 K 5.0508 7.8474 123.5457 54.6521 34.2279 175.4050 52 G 4.2296 8.1980 110.1360 45.2233 0.0000 172.2192 53 L 5.1685 8.1763 120.9508 54.3389 43.6171 176.2618 54 V 5.3002 8.8579 114.1307 59.4853 36.8830 172.1013 55 P 4.3063 0.0000 0.0000 62.7404 31.5573 177.1197 56 C 4.1883 8.4037 123.9401 61.7839 31.8971 174.0175 57 N 4.2572 7.9066 117.3200 56.0202 39.0700 174.3264 58 Y 4.9833 7.3095 115.4656 57.3885 37.6994 175.4543 59 L 5.0935 7.7318 116.5712 53.2371 46.7410 176.4054 60 E 4.8379 8.6506 121.7147 53.5334 33.2197 172.9582 61 P 4.0135 0.0000 0.0000 62.4564 31.9042 177.0647 62 V 4.3066 7.8575 125.8338 61.4523 29.8856 174.4497 63 S 4.4375 7.9474 119.9320 58.0223 64.5016 172.7472 64 G 4.4110 7.9835 110.1221 43.4777 0.0000 170.9976 65 P 4.2149 0.0000 0.0000 65.3943 31.5362 176.2850 66 S 4.2950 7.9463 113.8177 57.6926 61.6546 172.5154 67 S 4.4727 8.2116 121.3709 57.5868 65.8689 174.4493 68 G 4.2136 8.6027 108.2672 46.1811 0.0000 173.6008 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 G 8.35 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 0.00 0.00 0.00 2 S 8.22 4.52 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.29 0.00 3.79 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 4 G 8.00 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 5 S 8.22 2.79 0.00 3.76 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 6 S 7.83 4.23 0.00 3.68 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 0.00 0.00 8 E 8.22 4.63 0.00 1.98 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 0.00 2.36 2.48 0.00 9 A 8.68 4.36 1.10 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 10 H 9.01 5.12 0.00 3.07 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.63 4.69 0.00 1.85 1.78 0.00 3.11 0.00 0.00 3.16 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.00 12 V 8.36 3.80 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 0.81 0.00 0.00 0.83 0.00 0.00 13 L 8.08 4.97 0.00 1.66 1.61 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.92 4.02 0.00 3.04 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 15 G 7.37 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 0.00 0.00 0.00 16 F 6.28 4.65 0.00 2.98 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 V 6.26 3.97 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 0.73 0.00 0.00 0.80 0.00 0.00 18 P 0.00 4.59 0.00 2.37 2.50 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 19 E 7.70 4.39 0.00 1.84 1.84 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 2.16 2.23 0.00 20 T 7.58 4.45 4.20 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 1.21 0.00 0.00 21 K 8.57 4.06 0.00 1.85 1.97 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 22 E 7.92 3.96 0.00 1.90 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 2.26 2.23 0.00 23 E 7.72 4.59 0.00 1.89 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 2.49 1.96 0.00 24 L 8.55 4.10 0.00 1.68 1.63 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.87 4.14 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 26 V 8.07 4.07 1.72 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 0.36 0.00 0.00 0.87 0.00 0.00 27 M 7.60 4.49 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 28 P 0.00 4.04 0.00 1.26 0.55 0.00 3.63 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 29 G 8.48 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 30 N 7.50 4.87 0.00 2.63 2.44 0.00 0.00 6.87 7.16 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 31 I 8.21 4.53 1.85 0.00 0.00 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 1.34 0.77 0.59 0.00 0.00 32 V 8.07 4.67 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 0.61 0.00 0.00 0.98 0.00 0.00 33 F 8.67 4.98 0.00 3.06 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 34 V 9.04 4.12 2.11 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 1.09 0.00 0.00 0.85 0.00 0.00 35 L 9.16 4.19 0.00 1.59 1.73 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.76 4.76 0.00 1.64 1.69 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 37 K 8.49 4.64 0.00 1.58 1.68 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.44 7.81 38 G 8.16 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 39 N 8.37 4.97 0.00 2.66 2.80 0.00 0.00 6.68 8.46 0.00 0.00 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 7.70 4.87 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.12 0.00 2.55 2.32 0.00 0.00 6.14 7.39 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 42 W 7.67 5.34 0.00 3.27 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 43 A 9.31 4.95 1.28 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 0.00 0.00 0.00 44 T 8.18 4.85 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 1.25 0.00 0.00 45 V 8.39 5.20 2.16 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 1.40 0.00 0.00 1.08 0.00 0.00 46 M 8.52 5.30 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 47 F 9.41 4.97 0.00 3.04 2.93 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 0.00 0.00 0.00 48 N 9.57 4.10 0.00 2.48 2.76 0.00 0.00 7.07 7.88 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 49 G 8.55 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 0.00 0.00 0.00 50 Q 8.28 4.62 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 51 K 7.85 5.05 0.00 1.79 1.71 0.00 1.66 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.53 7.81 52 G 8.20 4.23 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 0.00 53 L 8.18 5.17 0.00 1.35 1.51 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.86 5.30 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 0.90 0.00 0.00 1.05 0.00 0.00 55 P 0.00 4.31 0.00 2.15 1.67 0.00 3.91 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 56 C 8.40 4.19 0.00 2.88 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 57 N 7.91 4.26 0.00 2.40 2.26 0.00 0.00 6.61 7.32 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 58 Y 7.31 4.98 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 5.09 0.00 1.63 1.55 0.93 0.90 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 60 E 8.65 4.84 0.00 1.96 1.72 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 2.16 2.22 0.00 61 P 0.00 4.01 0.00 2.05 2.02 0.00 3.76 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 1.96 1.96 0.00 62 V 7.86 4.31 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 0.75 0.00 0.00 0.94 0.00 0.00 63 S 7.95 4.44 0.00 3.89 3.82 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 64 G 7.98 4.41 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 0.00 65 P 0.00 4.21 0.00 2.19 2.20 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 66 S 7.95 4.30 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.21 4.47 0.00 3.96 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 68 G 8.60 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 0.00 0.00 0.00 0.00