NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1294 8.0093 120.7867 60.9843 39.1782 174.4569 2 T 4.4335 8.3293 116.2685 59.2475 70.9242 171.7165 3 A 4.7797 8.9402 127.2417 49.7212 23.4062 177.0337 4 K 4.1009 8.4592 118.6415 55.7396 32.7144 175.7020 5 P 4.2826 0.0000 0.0000 62.2159 30.5747 176.3691 6 A 4.0075 8.5866 123.4578 52.6004 18.5612 178.9600 7 K 4.2472 8.8207 123.4080 59.4339 32.4912 177.7593 8 T 4.6068 7.0965 105.8427 58.7662 68.5803 171.6520 9 P 4.3488 0.0000 0.0000 63.7715 32.3059 176.7012 10 T 5.2553 8.2345 116.0718 60.2059 69.4944 174.9604 11 S 4.3325 8.2526 121.7654 57.4615 65.0888 172.9098 12 P 4.1931 0.0000 0.0000 65.7964 30.9230 178.9231 13 K 3.9086 7.8989 117.7796 59.5033 32.3539 178.5388 14 E 3.9792 8.0236 118.5788 59.6344 29.3563 179.4377 15 Q 3.9905 8.5292 118.2016 58.8652 28.7069 178.7101 16 A 4.0426 8.2703 122.0491 54.9332 18.3054 179.8947 17 I 3.7180 7.7923 118.5659 64.4368 37.3003 178.5516 18 G 3.7462 8.2302 106.8663 47.8944 0.0000 175.2265 19 L 3.8833 8.2506 123.4256 57.7762 42.1054 179.0442 20 S 4.0186 8.0033 115.0269 61.8178 62.8262 177.0672 21 V 3.6798 8.2286 121.1213 66.1226 30.9006 178.0702 22 T 4.0184 8.1115 115.5228 66.8490 68.3512 176.3089 23 F 4.1600 8.8571 119.7757 60.9856 39.0168 177.9610 24 L 4.1949 8.3255 118.5693 57.6935 41.1398 179.7309 25 S 4.2142 8.1372 113.8097 61.3089 63.0007 176.4554 26 F 4.2044 8.0676 120.3105 60.4669 39.0026 177.4489 27 L 4.2895 8.5390 118.9889 57.3941 41.4309 179.5479 28 L 4.0421 8.0750 119.0314 57.3479 41.5944 177.5457 29 P 4.3051 0.0000 0.0000 65.6265 31.3845 178.2387 30 A 4.1788 8.2507 118.9661 55.3709 18.3046 179.3701 31 G 3.9929 8.4058 104.1253 48.0814 0.0000 175.4895 32 W 4.1239 8.2692 129.5247 60.0967 31.0052 177.8976 33 V 3.9581 8.5706 118.6384 66.2945 30.9146 178.0754 34 L 4.0971 8.6901 119.0188 57.7580 41.2246 178.6895 35 Y 3.9310 8.2947 119.3471 60.4176 38.7826 176.9948 36 H 4.1936 7.3771 114.8730 55.3774 28.8461 176.9251 37 L 3.9306 7.1887 124.4583 58.0204 41.3100 179.0241 38 D 4.2385 7.7264 117.1695 57.0000 40.9147 177.7142 39 N 4.1577 7.6607 116.1702 56.3285 38.8963 176.4930 40 Y 4.5529 7.0019 118.0472 61.8163 37.8691 177.7157 41 K 3.8802 8.1021 117.7669 58.8271 33.1627 178.1611 42 K 4.3492 7.7950 122.5635 55.9648 30.2341 177.1759 43 S 4.4167 7.9279 119.7958 58.8207 63.0057 174.8512 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 I 8.01 4.13 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 1.47 1.35 0.91 0.00 0.00 2 T 8.33 4.43 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 3 A 8.94 4.78 1.21 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 4 K 8.46 4.10 0.00 1.76 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 5 P 0.00 4.28 0.00 2.03 1.99 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 A 8.59 4.01 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 7 K 8.82 4.25 0.00 1.76 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 T 7.10 4.61 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 9 P 0.00 4.35 0.00 2.06 2.03 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 10 T 8.23 5.26 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 11 S 8.25 4.33 0.00 4.04 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 12 P 0.00 4.19 0.00 2.16 2.15 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 13 K 7.90 3.91 0.00 1.78 1.78 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.02 3.98 0.00 2.20 1.98 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 2.33 2.35 0.00 15 Q 8.53 3.99 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 16 A 8.27 4.04 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 17 I 7.79 3.72 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.91 0.00 0.00 18 G 8.23 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 0.00 0.00 0.00 19 L 8.25 3.88 0.00 1.68 1.47 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.00 4.02 0.00 4.05 3.89 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 21 V 8.23 3.68 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 1.07 0.00 0.00 1.01 0.00 0.00 22 T 8.11 4.02 4.63 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 1.44 0.00 0.00 23 F 8.86 4.16 0.00 2.99 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 24 L 8.33 4.19 0.00 2.00 1.79 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.14 4.21 0.00 4.02 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 26 F 8.07 4.20 0.00 3.10 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 27 L 8.54 4.29 0.00 1.76 1.78 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.07 4.04 0.00 1.85 1.75 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.31 0.00 2.19 2.12 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 30 A 8.25 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 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 0.00 0.00 0.00 32 W 8.27 4.12 0.00 3.47 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 3.96 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 1.14 0.00 0.00 1.31 0.00 0.00 34 L 8.69 4.10 0.00 2.05 1.74 0.98 0.78 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 35 Y 8.29 3.93 0.00 2.99 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 36 H 7.38 4.19 0.00 2.58 2.23 0.00 5.87 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.19 3.93 0.00 1.60 1.64 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.73 4.24 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.16 0.00 2.30 2.71 0.00 0.00 6.94 7.46 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 Y 7.00 4.55 0.00 3.15 2.92 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 0.00 0.00 0.00 0.00 41 K 8.10 3.88 0.00 1.71 1.79 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.51 7.81 42 K 7.79 4.35 0.00 1.83 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.51 7.81 43 S 7.93 4.42 0.00 4.21 3.79 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 0.00 0.00 0.00 0.00