NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3219 8.2649 123.5819 51.2080 19.3171 176.1559 2 P 4.1763 0.0000 0.0000 61.6274 32.4341 175.3941 3 M 4.2766 8.5442 122.1078 54.3993 33.6977 176.1845 4 G 3.8595 8.3788 110.0622 46.0018 0.0000 172.8376 5 S 4.3544 8.0434 113.0443 59.4553 63.1675 174.7505 6 D 4.7621 7.2122 118.6791 53.0910 43.0703 173.1803 7 P 4.5326 0.0000 0.0000 61.1221 32.9249 176.4797 8 P 4.6150 0.0000 0.0000 63.4274 31.3574 175.2847 9 T 4.4795 8.0913 113.3592 62.9765 72.1739 174.7141 10 A 4.3773 8.6407 130.1394 52.1312 16.1569 175.3816 11 C 5.1295 7.9905 117.2977 54.7390 42.8538 175.0116 12 C 4.6601 8.6617 121.6390 56.9501 40.4279 173.5904 13 F 4.4553 8.4350 117.4537 57.4690 39.3390 175.8159 14 S 3.4365 5.8100 114.7047 57.8039 64.3556 172.3825 15 Y 4.6805 7.6063 116.1531 57.1471 42.1282 176.2251 16 T 4.2385 7.8993 114.4489 62.3389 67.2702 174.1938 17 A 4.7850 8.4764 120.6432 52.2538 21.6027 176.2935 18 R 4.5692 7.6777 113.5656 53.7141 33.9633 175.1899 19 K 2.8806 8.1764 123.4402 55.7589 32.5272 176.2259 20 L 4.0920 7.3920 126.5549 53.4975 42.2333 175.2017 21 P 4.3410 0.0000 0.0000 62.4955 31.9823 177.2261 22 R 3.7488 8.9059 121.7032 59.7493 29.9320 177.4362 23 N 4.7910 8.1425 112.4738 54.0936 38.7144 174.2669 24 F 4.9710 9.0696 118.6429 57.5077 40.2124 174.4701 25 V 4.5213 7.5211 119.4182 61.2484 32.0008 174.3830 26 V 3.9804 8.0603 119.2651 62.2184 32.4203 175.1334 27 D 4.8438 7.6894 117.8654 54.9326 44.8395 172.5588 28 Y 5.2477 8.5802 116.1046 57.4238 40.9668 172.8726 29 Y 4.4587 9.3444 118.7589 56.8212 42.5240 173.5082 30 E 4.5093 7.6838 124.9937 54.9299 31.7900 176.9844 31 T 3.9235 7.5365 112.2634 61.3017 70.3980 174.3669 32 S 4.6645 7.5427 119.1405 58.8079 62.3456 175.2386 33 S 4.5238 8.4942 106.7030 59.2521 66.1526 175.3208 34 L 4.0451 8.3195 120.2853 57.7292 41.5756 176.5168 35 C 4.4991 8.0459 113.0588 55.2805 42.1485 175.6086 36 S 4.5761 8.5848 120.6901 58.0980 62.0959 175.4066 37 Q 4.6362 8.4264 116.1806 54.7464 28.9374 171.1750 38 P 4.4467 0.0000 0.0000 63.5676 33.2242 175.2143 39 A 4.3767 9.0047 119.3354 51.6343 23.2541 175.3909 40 V 4.2017 7.6513 117.9333 61.6832 33.6338 174.8993 41 V 4.7720 8.7127 126.9131 61.2046 34.0720 174.1917 42 F 5.2754 9.4983 127.4854 56.7813 40.9764 174.7850 43 Q 5.3162 9.6462 122.7862 54.2410 30.3104 175.2387 44 T 4.8052 8.0635 116.3972 59.7854 70.8555 173.6950 45 K 4.2980 6.5970 117.8379 57.0461 34.3646 176.2836 46 R 4.9197 6.8942 117.6382 54.4991 31.3654 173.7364 47 S 4.6598 7.2948 124.4361 57.9324 70.0050 176.6392 48 K 4.6556 8.8671 123.1184 56.0237 40.3500 174.3906 49 Q 5.1085 9.1152 120.6299 54.6350 33.5378 176.1032 50 V 4.5412 8.8165 121.6228 61.3586 34.4882 174.2849 51 C 5.1115 9.0258 124.9115 57.2077 41.2072 172.4304 52 A 5.0118 9.0055 122.5237 50.3096 22.9497 175.5149 53 D 3.7249 8.4051 122.0094 53.2365 40.8736 175.6603 54 P 4.1787 0.0000 0.0000 64.3060 31.3698 177.3024 55 S 4.0460 7.4985 113.3589 60.4753 62.7882 173.5534 56 E 4.1210 7.9070 121.5728 55.3305 29.5421 177.2044 57 S 4.0301 8.9270 120.5344 61.6028 62.6059 176.6276 58 W 4.3625 8.1330 119.4878 59.2883 27.6705 178.3539 59 V 2.7215 6.4744 119.1283 65.5085 30.8506 177.8172 60 Q 3.9271 7.7279 118.8303 59.0088 28.9134 177.6102 61 E 4.0406 8.6650 120.7418 59.7295 29.7797 178.4328 62 Y 4.0294 9.0115 117.2564 61.0493 37.8776 178.8691 63 V 3.3955 8.1704 119.3643 66.0002 31.7589 177.4341 64 Y 3.9801 8.2514 119.3157 60.9164 38.1240 177.8602 65 D 4.3737 8.4606 119.8337 57.3453 40.6393 178.7875 66 L 4.0976 7.6138 118.7603 57.5399 41.6482 178.9654 67 E 4.1306 7.7299 118.0528 59.4617 29.4442 177.9012 68 L 3.9703 7.6636 119.0028 55.5788 41.4946 176.4808 69 N 4.4683 7.5232 124.1587 54.0545 38.8976 175.1407 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 A 8.26 4.32 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 2 P 0.00 4.18 0.00 2.13 2.00 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 3 M 8.54 4.28 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 4 G 8.38 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 0.00 0.00 0.00 5 S 8.04 4.35 0.00 3.84 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 6 D 7.21 4.76 0.00 2.64 2.55 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 0.00 7 P 0.00 4.53 0.00 2.04 2.00 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 P 0.00 4.62 0.00 2.18 2.10 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 T 8.09 4.48 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 1.23 0.00 0.00 10 A 8.64 4.38 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 11 C 7.99 5.13 0.00 2.98 3.02 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 12 C 8.66 4.66 0.00 2.86 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 13 F 8.43 4.46 0.00 3.16 3.12 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 14 S 5.81 3.44 0.00 3.53 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 15 Y 7.61 4.68 0.00 2.95 2.90 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 16 T 7.90 4.24 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 1.47 0.00 0.00 17 A 8.48 4.78 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 18 R 7.68 4.57 0.00 1.74 1.67 0.00 3.15 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 19 K 8.18 2.88 0.00 0.79 1.06 0.00 1.38 0.00 0.00 1.12 0.00 0.00 2.64 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 20 L 7.39 4.09 0.00 1.55 1.81 1.13 1.26 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 21 P 0.00 4.34 0.00 2.20 1.95 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 22 R 8.91 3.75 0.00 1.61 1.88 0.00 2.89 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.40 0.00 23 N 8.14 4.79 0.00 2.73 2.85 0.00 0.00 6.66 7.05 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 24 F 9.07 4.97 0.00 2.97 3.01 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 25 V 7.52 4.52 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 1.44 0.00 0.00 1.01 0.00 0.00 26 V 8.06 3.98 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 0.68 0.00 0.00 1.01 0.00 0.00 27 D 7.69 4.84 0.00 2.83 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 28 Y 8.58 5.25 0.00 3.12 3.13 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 0.00 0.00 0.00 29 Y 9.34 4.46 0.00 2.99 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 30 E 7.68 4.51 0.00 1.58 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 2.17 2.24 0.00 31 T 7.54 3.92 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 1.23 0.00 0.00 32 S 7.54 4.66 0.00 3.95 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 33 S 8.49 4.52 0.00 3.93 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 34 L 8.32 4.05 0.00 1.66 1.82 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.05 4.50 0.00 3.12 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 36 S 8.58 4.58 0.00 3.89 3.93 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 37 Q 8.43 4.64 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 38 P 0.00 4.45 0.00 2.15 2.29 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 39 A 9.00 4.38 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 40 V 7.65 4.20 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 0.29 0.00 0.00 0.80 0.00 0.00 41 V 8.71 4.77 2.32 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 1.04 0.00 0.00 0.92 0.00 0.00 42 F 9.50 5.28 0.00 3.23 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 43 Q 9.65 5.32 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 44 T 8.06 4.81 2.69 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 1.19 0.00 0.00 45 K 6.60 4.30 0.00 1.67 1.85 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.12 7.81 46 R 6.89 4.92 0.00 1.99 2.24 0.00 3.59 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 47 S 7.29 4.66 0.00 4.06 3.05 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 48 K 8.87 4.66 0.00 1.73 1.58 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 49 Q 9.12 5.11 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.40 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 50 V 8.82 4.54 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 0.97 0.00 0.00 1.14 0.00 0.00 51 C 9.03 5.11 0.00 2.93 3.02 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 52 A 9.01 5.01 1.29 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 0.00 0.00 0.00 53 D 8.41 3.72 0.00 2.29 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 54 P 0.00 4.18 0.00 2.04 2.03 0.00 3.50 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 55 S 7.50 4.05 0.00 3.71 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 56 E 7.91 4.12 0.00 1.61 1.55 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 2.28 2.10 0.00 57 S 8.93 4.03 0.00 4.05 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.13 4.36 0.00 3.48 3.38 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 0.00 59 V 6.47 2.72 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 0.65 0.00 0.00 -0.89 0.00 0.00 60 Q 7.73 3.93 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 61 E 8.66 4.04 0.00 2.20 2.41 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 2.43 2.44 0.00 62 Y 9.01 4.03 0.00 3.34 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 63 V 8.17 3.40 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 0.80 0.00 0.00 0.84 0.00 0.00 64 Y 8.25 3.98 0.00 3.25 3.13 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 0.00 0.00 0.00 65 D 8.46 4.37 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.10 0.00 1.57 1.71 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.73 4.13 0.00 1.78 1.85 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 2.34 2.47 0.00 68 L 7.66 3.97 0.00 1.55 1.45 0.90 0.55 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 69 N 7.52 4.47 0.00 2.68 2.66 0.00 0.00 7.20 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00