NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8905 8.2133 109.7343 44.0819 0.0000 176.9857 6 P 4.0991 0.0000 0.0000 63.4072 31.2208 174.1445 7 L 3.7735 8.9817 121.6449 55.3543 40.0135 175.5681 8 G 3.6128 8.3615 110.0640 48.0341 0.0000 174.4076 9 S 4.4931 7.9495 116.8854 57.7524 63.9215 173.4644 10 V 4.7678 8.3396 124.7759 61.1059 34.5583 174.6174 11 V 4.9624 8.9922 119.1214 59.6366 36.5935 174.1238 12 R 4.9041 8.8401 122.2593 54.0959 33.0363 174.7576 13 A 4.2927 8.9316 128.8369 52.3068 18.7899 178.2620 14 K 3.6866 9.1438 122.6824 57.4731 32.9544 176.8503 15 F 5.1101 7.5538 116.1553 55.4312 43.2275 174.4384 16 N 4.9239 8.9907 117.7535 53.6026 39.3104 174.7470 17 F 4.8494 9.1590 123.3478 56.6867 42.9667 172.6994 18 Q 4.4805 7.7378 127.2509 53.4861 30.6773 174.8467 19 Q 4.1468 8.5430 125.3273 57.1128 28.8665 177.1314 20 T 4.5548 9.8972 110.4742 61.5059 69.8721 173.4750 21 N 5.0503 7.6754 118.7172 51.7712 42.6259 175.1715 22 E 4.0695 8.8613 118.8199 58.9540 29.9953 177.3579 23 D 4.9681 8.1790 118.0900 53.0510 39.8368 174.9150 24 E 5.6567 8.0260 118.5103 55.2338 31.9368 176.0334 25 L 4.6977 9.3801 123.2515 54.8618 43.1416 176.5576 26 S 4.7275 8.5429 115.6686 56.9196 66.4255 173.5212 27 F 4.8988 8.7214 118.4686 56.2480 41.7159 172.9888 28 S 5.3202 9.9910 115.4901 56.0672 66.0564 174.1147 29 K 4.0789 9.5521 123.7017 58.6729 32.2154 177.0802 30 G 4.0060 9.2338 114.9373 45.1995 0.0000 173.6358 31 D 4.5615 8.2214 120.3592 54.3078 42.1110 175.5230 32 V 4.4685 8.2268 122.0469 61.7897 33.0144 175.0381 33 I 4.7224 8.7277 128.1738 59.7872 40.9389 173.9601 34 H 5.0796 8.9839 123.7890 54.0958 30.5043 174.5166 35 V 4.3405 8.9377 125.5454 63.3110 31.1857 175.6849 36 T 4.4032 9.1569 118.2506 62.5065 71.3714 174.5844 37 R 4.4283 7.4406 122.7464 54.9689 33.4031 173.6648 38 V 3.3622 8.0776 127.0964 61.3142 32.2232 174.7017 39 E 4.9745 8.1337 125.1917 54.4883 32.9711 176.0455 40 E 4.3372 8.8719 121.9203 57.1194 30.3378 176.9444 41 G 4.0120 9.6384 107.6606 45.5444 0.0000 175.0345 42 G 3.9575 9.3087 108.6747 44.4883 0.0000 172.8103 43 W 5.3307 7.9936 118.8207 54.6507 33.5168 174.2673 44 W 5.4666 8.9305 123.0919 54.8946 33.1946 173.6290 45 E 4.5027 8.5859 121.8681 54.7265 31.9984 175.1074 46 G 4.4871 9.0257 111.6866 46.1107 0.0000 171.2321 47 T 5.8273 9.1733 114.2959 59.8038 70.5619 172.6597 48 H 4.9409 8.4279 126.2359 55.2642 33.8378 172.6276 49 N 4.1816 9.5047 120.8145 54.4058 36.0454 175.0938 50 G 3.9422 8.4961 102.6910 45.9673 0.0000 174.0608 51 R 4.9328 8.0017 118.0956 54.2565 34.1194 174.6149 52 T 5.0960 8.1777 111.0113 60.3843 71.3101 173.5955 53 G 4.2314 8.6189 109.1460 45.9149 0.0000 172.5099 54 W 5.3821 9.2630 121.1298 56.3574 30.9831 175.7070 55 F 5.0003 9.3067 116.5517 54.9589 41.6058 171.8684 56 P 3.3174 0.0000 0.0000 61.9211 30.9840 178.0611 57 S 3.4392 8.2496 119.5151 60.4666 62.8551 175.4227 58 N 4.5707 7.6924 116.1288 53.7143 37.5962 174.8189 59 Y 4.6951 8.1165 116.8814 58.4322 38.4916 174.9435 60 V 4.9842 7.3191 111.6591 59.3356 36.1861 175.0023 61 R 4.6337 8.7261 118.3294 54.0475 32.3341 174.5984 62 E 4.6204 8.9806 123.8545 56.2140 30.6397 176.5175 63 I 4.1607 8.4833 119.1382 61.0932 37.7697 175.0353 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 5 G 8.21 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 0.00 0.00 0.00 6 P 0.00 4.10 0.00 2.11 2.01 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 7 L 8.98 3.77 0.00 1.79 1.79 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.36 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.95 4.49 0.00 3.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.34 4.77 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 11 V 8.99 4.96 2.15 0.00 0.00 0.00 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 0.86 0.00 0.00 12 R 8.84 4.90 0.00 1.70 1.62 0.00 3.01 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.62 0.00 13 A 8.93 4.29 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.14 3.69 0.00 0.79 0.77 0.00 1.36 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.13 1.09 7.81 15 F 7.55 5.11 0.00 2.40 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 16 N 8.99 4.92 0.00 2.82 2.81 0.00 0.00 6.62 7.45 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 17 F 9.16 4.85 0.00 2.84 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 18 Q 7.74 4.48 0.00 1.85 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 19 Q 8.54 4.15 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 20 T 9.90 4.55 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 1.37 0.00 0.00 21 N 7.68 5.05 0.00 2.96 2.74 0.00 0.00 6.83 7.66 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 22 E 8.86 4.07 0.00 2.11 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 0.00 2.29 2.35 0.00 23 D 8.18 4.97 0.00 3.09 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 24 E 8.03 5.66 0.00 2.32 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 2.84 2.44 0.00 25 L 9.38 4.70 0.00 2.08 2.04 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.54 4.73 0.00 3.71 3.61 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 0.00 0.00 0.00 27 F 8.72 4.90 0.00 2.99 2.83 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 28 S 9.99 5.32 0.00 3.82 3.92 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 29 K 9.55 4.08 0.00 1.75 1.78 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.36 7.81 30 G 9.23 4.01 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 0.00 0.00 0.00 31 D 8.22 4.56 0.00 2.63 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 32 V 8.23 4.47 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 0.70 0.00 0.00 0.88 0.00 0.00 33 I 8.73 4.72 1.37 0.00 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.02 0.60 0.00 0.00 34 H 8.98 5.08 0.00 3.05 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.94 4.34 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 0.54 0.00 0.00 1.26 0.00 0.00 36 T 9.16 4.40 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 1.19 0.00 0.00 37 R 7.44 4.43 0.00 1.66 1.32 0.00 3.21 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 38 V 8.08 3.36 1.66 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 0.27 0.00 0.00 -0.07 0.00 0.00 39 E 8.13 4.97 0.00 2.61 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 2.52 2.97 0.00 40 E 8.87 4.34 0.00 2.04 1.96 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 2.39 2.31 0.00 41 G 9.64 4.01 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 0.00 0.00 0.00 42 G 9.31 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 0.00 0.00 0.00 43 W 7.99 5.33 0.00 3.29 3.35 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 44 W 8.93 5.47 0.00 2.25 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 45 E 8.59 4.50 0.00 1.16 1.12 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 1.82 1.47 0.00 46 G 9.03 4.49 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 47 T 9.17 5.83 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 1.30 0.00 0.00 48 H 8.43 4.94 0.00 3.15 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.50 4.18 0.00 2.94 2.88 0.00 0.00 7.02 7.65 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 50 G 8.50 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.00 4.93 0.00 1.81 1.85 0.00 3.16 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 52 T 8.18 5.10 4.23 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 1.22 0.00 0.00 53 G 8.62 4.23 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 0.00 54 W 9.26 5.38 0.00 3.47 3.54 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 55 F 9.31 5.00 0.00 3.17 3.51 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 0.00 0.00 0.00 56 P 0.00 3.32 0.00 1.29 1.02 0.00 2.40 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 0.49 0.44 0.00 57 S 8.25 3.44 0.00 2.72 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 58 N 7.69 4.57 0.00 2.87 2.89 0.00 0.00 6.00 7.55 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 59 Y 8.12 4.70 0.00 3.32 3.35 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 60 V 7.32 4.98 2.02 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 0.40 0.00 0.00 0.99 0.00 0.00 61 R 8.73 4.63 0.00 1.73 1.87 0.00 2.69 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 62 E 8.98 4.62 0.00 2.13 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 2.31 2.36 0.00 63 I 8.48 4.16 1.84 0.00 0.00 0.80 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 0.80 0.91 0.00 0.00