NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6399 8.2893 118.1965 55.1582 32.4396 174.8762 2 V 4.0064 8.4611 121.5427 61.2997 34.2602 172.8834 3 N 4.3040 9.6385 124.1638 52.9088 37.4305 175.1969 4 K 3.9167 8.8020 117.7062 59.5372 32.2701 174.5728 5 Q 3.4347 8.5018 123.4852 55.3369 26.0749 171.6570 6 K 4.2572 8.2002 120.3812 56.7021 35.3148 175.9575 7 V 3.1982 8.1807 111.5223 61.5788 29.8771 170.8477 8 C 4.6628 7.6109 120.9924 57.9486 31.7316 173.8510 9 P 4.3399 0.0000 0.0000 64.5810 30.5940 177.0723 10 A 4.0517 7.3016 121.8887 52.7229 18.9773 177.3434 11 C 4.3177 7.8039 111.5456 56.8820 31.4366 173.4440 12 E 3.6483 7.6527 118.8329 57.2531 26.2008 174.2485 13 S 4.4151 7.4274 113.1209 56.5599 65.7729 175.2577 14 A 3.9086 8.5878 128.9698 54.1208 18.5800 176.9805 15 E 4.2389 8.1219 115.8823 56.3803 30.0958 176.1384 16 L 5.3206 8.2035 125.0204 53.3460 45.0984 175.5274 17 I 4.5497 8.6311 111.3112 60.5849 40.8469 173.3861 18 Y 4.7509 8.5808 124.6643 56.6512 41.0929 175.0831 19 D 4.8656 8.3627 122.8838 51.5619 41.2285 173.8663 20 P 4.7968 0.0000 0.0000 64.7900 31.9661 178.6277 21 E 4.1299 8.2277 118.2533 58.6739 29.6325 177.6832 22 R 4.3091 8.0275 115.5664 55.6320 31.4655 176.4191 23 G 3.7323 8.7116 106.3915 46.3040 0.0000 172.3954 24 E 4.6244 7.4909 118.7126 54.1054 33.3449 174.4792 25 I 4.8015 8.0981 122.4210 59.8426 41.1427 175.1684 26 V 4.5947 8.8252 127.2804 60.7135 34.6244 174.2447 27 C 4.6043 9.1406 123.8469 59.2060 32.0171 172.7917 28 A 4.3948 8.6943 125.4568 51.8545 18.8051 176.9034 29 K 4.3619 8.2053 115.5752 58.2149 34.6122 176.8027 30 C 4.2848 7.9586 114.9145 58.7160 30.5676 174.7100 31 G 3.9968 8.3054 108.2624 44.9314 0.0000 172.9092 32 Y 4.3355 7.9005 122.1697 57.4135 39.7201 175.6847 33 V 3.3873 8.1552 126.4539 63.6413 32.1875 173.2569 34 I 4.1585 8.5306 120.8626 60.8499 39.1096 175.4574 35 E 4.8194 7.7356 121.0308 54.0064 34.0369 175.6881 36 E 4.6702 8.3519 119.1397 54.1993 29.8946 176.0242 37 N 4.9586 7.5651 111.8741 53.0195 38.3804 176.6037 38 I 4.1469 7.4392 113.7067 59.2679 36.6911 175.4056 39 I 4.2098 7.0552 119.5126 61.8111 41.1372 173.7756 40 D 4.8374 8.2117 121.6577 53.2894 40.2680 173.4961 41 M 4.4341 8.0152 123.5409 57.8854 35.2416 175.2899 42 G 3.6603 8.2450 104.0927 45.0080 0.0000 170.8232 43 P 4.3150 0.0000 0.0000 65.2757 32.1563 178.5476 44 E 4.6922 7.5913 121.1614 53.8207 30.8477 172.9537 45 W 5.5628 8.1550 128.7365 57.5842 37.2122 174.7958 46 R 4.5170 7.8520 114.8734 54.8522 31.9641 171.4756 47 A 3.8007 8.7313 130.6693 51.6647 18.9294 177.0717 48 F 4.7183 8.3460 119.7599 55.7246 42.8474 174.3269 49 D 4.2941 8.9303 118.4669 53.5910 41.6121 175.6201 50 A 4.0764 8.9455 125.5970 52.7075 18.6505 176.7812 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 8.29 4.64 0.00 2.15 2.17 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 2.47 2.54 0.00 2 V 8.46 4.01 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 0.54 0.00 0.00 0.94 0.00 0.00 3 N 9.64 4.30 0.00 2.90 2.92 0.00 0.00 7.18 7.62 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 4 K 8.80 3.92 0.00 1.75 1.89 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.39 7.81 5 Q 8.50 3.43 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 6 K 8.20 4.26 0.00 1.86 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.41 7.81 7 V 8.18 3.20 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 0.62 0.00 0.00 0.96 0.00 0.00 8 C 7.61 4.66 0.00 3.22 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.34 0.00 2.11 2.12 0.00 3.86 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 10 A 7.30 4.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.32 0.00 3.08 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 12 E 7.65 3.65 0.00 2.16 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 2.25 2.31 0.00 13 S 7.43 4.42 0.00 3.84 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 14 A 8.59 3.91 1.30 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 0.00 0.00 0.00 15 E 8.12 4.24 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 16 L 8.20 5.32 0.00 1.54 1.81 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.63 4.55 1.91 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 1.24 0.55 0.94 0.00 0.00 18 Y 8.58 4.75 0.00 2.96 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 19 D 8.36 4.87 0.00 2.67 2.33 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 20 P 0.00 4.80 0.00 2.28 2.31 0.00 3.90 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 2.09 0.00 21 E 8.23 4.13 0.00 1.97 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 2.32 2.27 0.00 22 R 8.03 4.31 0.00 1.73 1.94 0.00 3.22 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 23 G 8.71 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 0.00 0.00 0.00 24 E 7.49 4.62 0.00 1.91 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.33 0.00 25 I 8.10 4.80 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.36 1.01 0.00 0.00 26 V 8.83 4.59 2.05 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 0.95 0.00 0.00 0.87 0.00 0.00 27 C 9.14 4.60 0.00 3.21 3.04 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 0.00 28 A 8.69 4.39 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.36 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.45 7.81 30 C 7.96 4.28 0.00 3.14 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 31 G 8.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.90 4.34 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 33 V 8.16 3.39 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 0.75 0.00 0.00 0.91 0.00 0.00 34 I 8.53 4.16 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.04 0.89 0.00 0.00 35 E 7.74 4.82 0.00 2.00 1.68 0.00 0.00 0.00 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 2.29 0.00 36 E 8.35 4.67 0.00 2.01 1.94 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 2.13 2.23 0.00 37 N 7.57 4.96 0.00 2.82 2.86 0.00 0.00 6.35 7.90 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 38 I 7.44 4.15 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.95 0.00 0.00 39 I 7.06 4.21 1.98 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 1.60 0.65 1.14 0.00 0.00 40 D 8.21 4.84 0.00 2.78 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 41 M 8.02 4.43 0.00 2.00 2.12 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 2.51 2.51 0.00 42 G 8.24 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.32 0.00 2.20 2.18 0.00 3.96 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 2.04 2.00 0.00 44 E 7.59 4.69 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 45 W 8.16 5.56 0.00 3.19 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 46 R 7.85 4.52 0.00 1.70 1.73 0.00 3.20 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.00 47 A 8.73 3.80 1.30 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 0.00 0.00 0.00 48 F 8.35 4.72 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.29 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.95 4.08 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