NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4376 8.3193 115.4127 58.6129 63.3991 172.3257 2 D 4.4358 8.1953 123.7706 52.5004 41.7910 172.2561 3 S 4.5291 8.8589 115.5965 56.9373 67.4919 175.5564 4 A 4.0007 8.0430 123.6439 56.2025 18.2961 178.7070 5 V 4.0281 7.5152 106.7660 61.8116 32.2954 177.8684 6 R 4.6253 7.6402 120.0629 54.3760 30.9338 174.8307 7 K 4.5965 7.9498 121.0664 55.6784 33.4279 177.2737 8 K 4.3996 8.2659 113.0400 57.1477 32.4222 177.8973 9 S 4.1988 7.7390 115.4293 60.9794 62.9421 173.8292 10 E 4.6815 7.4639 118.9306 54.4894 32.5579 173.5442 11 V 4.3047 8.0318 118.9562 62.5679 32.9318 175.6581 12 R 4.5586 8.0334 112.0702 55.1396 32.5643 176.3166 13 Q 4.2668 8.3751 118.8819 54.7239 27.3975 176.1184 14 K 4.0167 8.5552 122.1489 59.8610 32.7983 178.3500 15 T 4.1564 7.6318 112.3739 60.9702 68.1102 173.1468 16 V 4.2742 8.1019 125.4840 60.9270 33.0824 175.5357 17 V 4.3490 8.2455 125.6380 59.8993 32.8594 174.6516 18 R 4.5587 8.2371 123.3996 54.7093 33.2420 174.3316 19 T 4.3442 8.3645 118.9605 62.2262 68.6406 174.1269 20 L 4.6100 8.2884 128.3298 53.2058 44.0234 175.4679 21 R 4.8164 7.7408 121.8923 54.6660 33.8504 174.4988 22 F 4.7381 8.1831 116.3070 55.4171 43.1949 175.1447 23 S 4.6406 8.5372 119.4267 56.9989 65.1339 173.9370 24 P 4.3064 0.0000 0.0000 66.0941 30.8059 178.7654 25 V 3.5555 7.7224 117.5278 65.9933 31.6277 177.5534 26 E 4.0043 8.2318 117.7566 59.5628 29.3426 178.8873 27 D 4.1770 8.2919 117.9542 57.0807 41.3144 177.8122 28 E 3.8457 8.2752 119.8059 59.6411 29.6026 178.6931 29 T 3.8012 7.9068 115.5353 66.8894 68.5115 176.5278 30 I 3.4121 7.7677 121.3841 64.2545 37.1077 178.4518 31 R 3.7435 8.2001 119.8048 59.4502 29.9314 178.7804 32 K 3.8983 7.9769 118.1776 59.1627 32.1290 179.3475 33 K 3.7009 8.0585 119.9800 59.1560 32.0212 178.6918 34 A 3.7093 7.5714 121.2841 55.2238 18.2350 179.3099 35 E 3.8331 7.9714 117.7653 59.3053 29.4324 178.5235 36 D 4.2725 7.7535 117.4755 57.2611 41.4423 177.7664 37 S 4.3112 7.8854 111.5075 58.5236 62.7484 173.6126 38 G 3.8485 7.7284 108.9856 47.2109 0.0000 173.5682 39 L 4.7944 7.9032 117.9659 51.9954 45.3237 177.7750 40 T 4.1023 8.2701 116.3951 61.6229 69.3813 175.2781 41 V 3.6885 8.4184 124.9164 66.2539 31.5200 178.5031 42 S 4.0971 8.0799 113.0455 61.4778 62.8910 176.2227 43 A 3.9583 7.9535 124.3035 54.7071 18.1565 178.5359 44 Y 3.8706 8.4697 118.4616 61.3483 38.8023 178.0960 45 I 3.6010 8.1109 120.8813 64.5133 37.0867 178.3721 46 R 3.8795 8.1265 116.1929 59.4308 29.1682 178.2410 47 N 4.1241 8.5124 117.7913 56.5548 38.7727 176.6880 48 A 3.7668 7.7142 120.9049 55.0334 18.4520 179.2025 49 A 4.0335 7.9667 118.4620 54.5214 18.4483 178.9103 50 L 4.3667 7.4134 115.9235 56.2932 42.7375 176.9786 51 N 4.6342 8.1999 120.3658 53.4452 38.7408 174.7952 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 S 8.32 4.44 0.00 3.99 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 2 D 8.20 4.44 0.00 2.82 2.66 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 3 S 8.86 4.53 0.00 3.89 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 A 8.04 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.52 4.03 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 0.82 0.00 0.00 0.93 0.00 0.00 6 R 7.64 4.63 0.00 1.80 1.78 0.00 3.06 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 7 K 7.95 4.60 0.00 1.90 1.67 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.38 7.81 8 K 8.27 4.40 0.00 1.88 1.90 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.49 7.81 9 S 7.74 4.20 0.00 3.95 4.04 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 10 E 7.46 4.68 0.00 1.90 1.81 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 2.20 2.28 0.00 11 V 8.03 4.30 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 0.91 0.00 0.00 0.93 0.00 0.00 12 R 8.03 4.56 0.00 1.91 1.84 0.00 3.08 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 13 Q 8.38 4.27 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 14 K 8.56 4.02 0.00 1.86 1.95 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 15 T 7.63 4.16 4.24 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 1.21 0.00 0.00 16 V 8.10 4.27 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 0.86 0.00 0.00 0.93 0.00 0.00 17 V 8.25 4.35 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 0.75 0.00 0.00 0.94 0.00 0.00 18 R 8.24 4.56 0.00 1.72 1.77 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 19 T 8.36 4.34 4.24 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 1.22 0.00 0.00 20 L 8.29 4.61 0.00 1.60 1.66 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.74 4.82 0.00 1.66 1.72 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 22 F 8.18 4.74 0.00 2.99 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 23 S 8.54 4.64 0.00 4.28 3.83 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 0.00 0.00 0.00 24 P 0.00 4.31 0.00 2.27 2.33 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 25 V 7.72 3.56 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 1.03 0.00 0.00 0.95 0.00 0.00 26 E 8.23 4.00 0.00 2.40 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 0.00 2.58 2.53 0.00 27 D 8.29 4.18 0.00 2.88 2.86 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 28 E 8.28 3.85 0.00 2.22 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 0.00 2.28 2.33 0.00 29 T 7.91 3.80 4.35 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 1.20 0.00 0.00 30 I 7.77 3.41 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.81 0.00 0.00 31 R 8.20 3.74 0.00 1.82 2.04 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 K 7.98 3.90 0.00 2.04 1.76 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.43 7.81 33 K 8.06 3.70 0.00 1.69 0.75 0.00 1.45 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.38 7.81 34 A 7.57 3.71 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 35 E 7.97 3.83 0.00 2.17 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 2.27 2.33 0.00 36 D 7.75 4.27 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.31 0.00 4.07 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 38 G 7.73 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 0.00 0.00 0.00 39 L 7.90 4.79 0.00 1.72 1.62 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.27 4.10 4.25 0.00 0.00 0.00 0.00 0.00 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 41 V 8.42 3.69 2.06 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 1.00 0.00 0.00 0.85 0.00 0.00 42 S 8.08 4.10 0.00 4.10 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 43 A 7.95 3.96 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.47 3.87 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 3.60 2.05 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 1.72 0.67 0.97 0.00 0.00 46 R 8.13 3.88 0.00 2.06 2.19 0.00 2.78 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 47 N 8.51 4.12 0.00 2.79 2.90 0.00 0.00 6.86 7.72 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 48 A 7.71 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.97 4.03 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 50 L 7.41 4.37 0.00 1.55 1.70 0.91 1.48 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 51 N 8.20 4.63 0.00 2.72 2.69 0.00 0.00 7.12 8.24 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