NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.4379 8.3549 109.7364 45.8504 0.0000 173.0801 2 S 4.4361 8.3266 116.1939 55.9800 64.9088 171.3165 3 T 4.0239 9.2641 125.2868 64.3625 69.4308 172.0027 4 Y 5.1833 7.9775 122.5628 57.8744 42.8296 172.9051 5 V 5.0532 7.8286 113.9491 61.5185 37.6287 174.9075 6 Q 4.1539 8.3291 121.0924 55.7133 33.2288 173.0930 7 A 4.4359 8.5507 127.2944 52.4429 18.1090 177.5987 8 L 3.6705 8.4824 122.4968 57.8768 42.2631 178.3775 9 F 5.0806 7.5728 116.1480 55.0856 42.7470 173.7045 10 D 4.6065 9.0606 124.2272 54.4698 38.9493 175.8097 11 F 4.9290 8.5994 123.2536 56.4712 42.4588 173.5913 12 D 4.6457 6.0500 121.3543 51.2339 44.8442 173.6647 13 P 4.5489 0.0000 0.0000 62.9550 31.8383 176.0885 14 Q 4.4273 8.8334 121.8202 56.0477 30.8185 175.9106 15 E 4.7660 7.9019 118.0274 55.9941 30.5040 176.7678 16 D 4.7052 9.0561 119.1698 53.0576 41.3307 174.6923 17 G 3.4855 8.4842 112.5009 44.4367 0.0000 171.0921 18 E 4.7353 7.9122 120.7728 55.7755 30.2531 176.6590 19 L 4.3213 8.9312 125.8375 55.7510 43.0969 176.4764 20 G 4.5237 8.9382 111.1921 44.6794 0.0000 171.7225 21 F 5.3707 7.8855 118.6355 56.2779 41.8161 173.1634 22 R 5.0087 9.1926 113.5765 54.0072 32.3199 174.2177 23 R 4.8282 8.1583 117.6209 58.1220 30.1221 176.4466 24 G 4.0775 9.1312 113.2470 44.9916 0.0000 172.6163 25 D 4.7287 8.4389 121.1698 53.6922 42.1783 175.9122 26 F 4.6936 9.1931 123.3185 56.8074 40.1340 174.8462 27 I 4.3472 7.8895 126.0838 60.5836 38.0361 175.9413 28 H 2.7107 8.3860 128.6222 54.0607 28.0338 171.0093 29 V 3.9064 7.2446 120.1501 62.9951 31.3229 174.6246 30 M 4.1391 8.6301 127.7191 56.7614 33.6416 175.7877 31 D 4.5957 8.4856 117.7155 53.3585 43.7419 174.6229 32 N 4.5679 8.0766 125.2091 52.7185 37.9261 177.5174 33 S 4.1209 8.1573 113.7329 60.6841 62.9049 172.8888 34 D 5.0318 7.5352 119.0676 52.5368 42.4687 174.4567 35 P 4.6355 0.0000 0.0000 65.0046 31.9995 176.3955 36 N 4.6189 7.9976 112.7817 51.9685 41.6701 173.8161 37 W 5.0447 7.8137 116.3424 53.3422 31.8402 174.3498 38 W 4.8992 7.0730 125.3032 55.4248 30.4733 175.8885 39 K 4.7330 9.2271 127.0346 56.7405 32.1646 175.3964 40 G 4.3381 9.2197 115.7402 45.4593 0.0000 167.8804 41 A 5.9400 8.1475 122.0439 50.7645 22.0306 175.4779 42 C 5.1905 8.9453 107.8372 60.3620 36.9874 176.1418 43 H 4.7990 8.0030 114.4699 53.6821 27.8381 173.5156 44 G 4.0778 8.3169 108.4775 46.5012 0.0000 173.9514 45 Q 4.7299 7.9068 117.9758 54.1876 31.5244 174.2102 46 T 5.2575 9.1203 109.1155 59.5002 72.7996 173.7892 47 G 4.2399 7.4395 106.1234 46.4216 0.0000 170.6013 48 M 5.2719 8.4828 120.8702 53.9196 34.2877 175.4660 49 F 5.1195 8.8534 117.9069 53.9992 42.4205 172.1143 50 P 3.5815 0.0000 0.0000 61.3968 31.3209 177.2904 51 R 2.6964 6.9087 122.0115 57.9539 28.9806 177.3377 52 N 4.3099 7.4143 117.1921 56.3678 39.3314 176.0804 53 Y 4.0939 8.2340 115.4912 59.9549 38.0927 175.4290 54 V 5.6984 7.2310 111.7000 58.7873 35.8707 174.5515 55 T 4.8418 7.9718 114.1802 59.6758 70.9262 171.0958 56 P 4.9032 0.0000 0.0000 63.0846 32.1077 175.7657 57 V 4.1892 7.8582 122.4557 61.8456 34.4413 172.4226 58 N 4.7028 9.9406 123.3064 53.6135 39.5497 174.0402 59 R 4.1655 8.2443 119.2307 56.9655 28.8741 174.3956 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 4.44 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 0.00 2 S 8.33 4.44 0.00 3.90 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 3 T 9.26 4.02 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 1.16 0.00 0.00 4 Y 7.98 5.18 0.00 3.09 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 5 V 7.83 5.05 2.24 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 1.17 0.00 0.00 0.82 0.00 0.00 6 Q 8.33 4.15 0.00 1.56 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.16 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 7 A 8.55 4.44 1.71 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 8 L 8.48 3.67 0.00 0.41 0.71 0.84 0.69 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 9 F 7.57 5.08 0.00 2.62 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 10 D 9.06 4.61 0.00 2.73 2.82 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 11 F 8.60 4.93 0.00 2.75 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.05 4.65 0.00 2.10 2.24 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 13 P 0.00 4.55 0.00 2.21 2.17 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 14 Q 8.83 4.43 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 15 E 7.90 4.77 0.00 1.85 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 2.12 2.05 0.00 16 D 9.06 4.71 0.00 2.56 2.54 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 17 G 8.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 4.74 0.00 2.18 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 19 L 8.93 4.32 0.00 1.89 1.99 1.14 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.94 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 5.37 0.00 3.33 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 22 R 9.19 5.01 0.00 2.08 2.07 0.00 2.95 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.89 0.00 23 R 8.16 4.83 0.00 1.97 2.01 0.00 3.30 0.00 0.00 4.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 24 G 9.13 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.44 4.73 0.00 3.06 2.73 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 26 F 9.19 4.69 0.00 3.00 3.28 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 27 I 7.89 4.35 1.03 0.00 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.68 0.14 0.00 0.00 28 H 8.39 2.71 0.00 2.72 2.92 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.24 3.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.95 0.00 0.00 30 M 8.63 4.14 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 31 D 8.49 4.60 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.57 0.00 1.66 2.13 0.00 0.00 5.49 7.47 0.00 0.00 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 8.16 4.12 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.54 5.03 0.00 2.95 2.76 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 0.00 0.00 0.00 0.00 35 P 0.00 4.64 0.00 2.25 2.22 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 36 N 8.00 4.62 0.00 2.70 2.67 0.00 0.00 6.89 7.69 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 37 W 7.81 5.04 0.00 3.31 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 38 W 7.07 4.90 0.00 3.17 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 39 K 9.23 4.73 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.62 1.60 7.81 40 G 9.22 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 5.94 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 42 C 8.95 5.19 0.00 3.20 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.00 4.80 0.00 3.29 3.43 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.32 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.91 4.73 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 46 T 9.12 5.26 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 1.22 0.00 0.00 47 G 7.44 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 0.00 0.00 0.00 0.00 48 M 8.48 5.27 0.00 2.14 2.46 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 49 F 8.85 5.12 0.00 2.80 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 50 P 0.00 3.58 0.00 1.63 0.84 0.00 2.64 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.00 51 R 6.91 2.70 0.00 0.67 0.66 0.00 2.66 0.00 0.00 2.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.82 0.00 52 N 7.41 4.31 0.00 2.56 2.82 0.00 0.00 7.20 7.54 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 53 Y 8.23 4.09 0.00 3.41 3.50 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 54 V 7.23 5.70 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 0.28 0.00 0.00 1.31 0.00 0.00 55 T 7.97 4.84 4.16 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 0.00 0.00 1.12 0.00 0.00 56 P 0.00 4.90 0.00 2.13 2.09 0.00 3.82 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 2.03 2.08 0.00 57 V 7.86 4.19 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 0.81 0.00 0.00 0.76 0.00 0.00 58 N 9.94 4.70 0.00 3.05 2.83 0.00 0.00 6.45 7.70 0.00 0.00 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 R 8.24 4.17 0.00 1.89 1.81 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00