NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.3865 0.0000 0.0000 62.2240 32.9996 177.0595 7 L 3.9934 8.2636 122.7888 57.1302 41.8061 175.7811 8 E 4.3189 8.4327 119.4575 59.5075 29.7401 178.6272 9 K 4.0616 7.6227 121.1533 58.2900 31.8344 182.9693 10 I 4.4442 6.7952 117.4570 62.2056 38.1085 175.3261 11 A 3.3145 6.7655 118.0480 50.5679 22.5768 174.5850 12 P 4.6231 0.0000 0.0000 62.0255 30.4378 176.7841 13 Y 3.8653 7.2307 115.8640 57.7568 38.8857 175.4218 14 P 4.3661 0.0000 0.0000 62.7278 32.0446 176.1495 15 Q 4.1759 8.2687 118.3699 55.0946 29.5565 176.0903 16 A 4.0639 8.2491 123.5818 52.2882 19.0924 177.7128 17 E 4.2401 8.6420 123.7572 55.6433 30.6501 176.9860 18 K 3.9913 8.3863 121.5240 56.7627 31.6011 175.5526 19 G 4.0025 9.1521 112.5085 44.5850 0.0000 172.2430 20 M 4.7481 7.8718 118.3718 53.1780 34.8474 174.7933 21 K 4.5958 8.2234 119.4679 54.5977 35.5090 175.1958 22 R 4.5142 8.5179 123.3077 54.6375 31.7153 174.7895 23 Q 4.7110 8.5331 123.9312 53.9980 31.3622 175.2213 24 V 4.3306 8.0341 119.4397 60.9690 34.4633 174.7538 25 I 4.2506 8.2880 126.7254 59.5514 38.7970 174.9896 26 Q 4.4024 8.3768 127.2493 53.8026 29.1213 174.9028 27 L 4.1838 8.1554 125.3918 54.5409 42.4350 177.1861 28 T 4.2478 8.1673 112.1109 60.0952 69.8338 173.0451 29 P 4.5469 0.0000 0.0000 63.1436 31.9837 175.5780 30 Q 4.5988 8.6455 121.7353 54.5461 32.8718 176.0253 31 E 3.9933 9.0454 116.7592 58.6659 29.6168 178.1982 32 D 4.8240 7.8461 124.7829 52.2652 41.7076 175.7743 33 E 4.1177 8.4889 126.0574 57.1677 30.1480 179.0673 34 S 4.2394 8.1355 113.3187 60.6578 63.4466 174.7743 35 T 4.4717 7.3030 110.2017 61.2169 68.6116 174.1561 36 L 4.9030 7.5349 120.1730 53.6157 45.4215 175.6077 37 K 4.6588 8.2054 118.3436 55.1147 36.2890 175.7835 38 V 4.2926 8.1266 119.2527 61.0057 33.7101 174.1052 39 E 4.4647 8.6296 127.7234 54.4111 30.7986 174.8557 40 L 4.2124 8.2524 126.3316 53.8502 42.6414 176.4846 41 L 4.4131 8.2351 123.3368 53.0187 42.0637 175.1399 42 I 4.1630 7.5835 124.2529 59.5544 38.7481 175.8007 43 G 3.9954 7.9137 114.4328 45.7517 0.0000 171.6029 44 Q 4.4423 8.3734 117.2006 54.7922 31.3854 174.3173 45 T 3.9935 8.5295 118.6536 63.6535 68.4107 173.7126 46 L 4.7383 8.3843 128.1338 53.3257 45.1208 176.5043 47 E 4.5541 8.4805 116.6882 54.3625 30.7344 176.6717 48 V 4.6104 7.7787 122.6526 59.3692 35.3286 176.6591 49 D 5.0297 8.0069 124.4938 52.7250 38.3683 179.1086 50 C 4.5535 9.0891 116.5485 58.2274 31.0660 173.5589 *52 L 4.2027 8.5335 123.5861 54.2184 42.8199 175.8864 53 H 4.8935 8.1459 115.4665 54.0951 31.7923 172.9780 54 R 4.6825 8.5000 122.1126 53.9375 33.0304 175.3595 55 L 4.4122 8.7674 126.0560 55.0857 43.1388 176.6208 56 G 3.9450 8.4063 113.9328 43.8074 0.0000 172.5139 57 G 3.7561 8.6262 108.0224 44.5321 0.0000 173.9182 58 K 4.7446 7.9187 121.9676 52.9714 35.9127 175.7881 59 L 5.0867 8.8980 128.5224 54.2342 43.1188 175.9238 60 E 4.8132 9.3659 125.0545 54.8928 32.5223 170.6491 61 N 4.8459 8.6852 122.2520 51.4111 40.5743 174.0184 62 K 4.5429 8.4047 124.3876 54.7335 36.8686 174.9654 63 T 4.8156 7.9367 117.4298 61.4574 71.4847 174.0555 64 L 4.3813 9.8384 131.3767 55.3238 42.6241 176.4416 65 E 4.0336 8.9170 122.0202 57.7231 29.9253 175.3353 66 G 4.0216 8.9707 110.8977 44.5320 0.0000 174.0595 67 W 4.0339 8.3314 118.3516 55.9510 30.7112 176.8681 68 G 3.9666 8.4001 104.4897 46.3769 0.0000 171.9365 69 Y 5.0710 8.0097 116.9307 56.1515 40.1882 175.3195 70 D 5.2629 8.8820 123.9865 54.2527 42.6540 175.0504 71 Y 4.9062 7.9461 116.6215 56.5805 41.5098 172.9088 72 Y 5.2530 8.9953 117.7073 56.2987 41.6779 175.1835 73 V 4.5543 9.0323 121.6664 61.2086 34.7248 173.8220 74 F 5.3990 9.0828 130.5243 56.5129 40.9673 174.3987 75 D 4.4811 7.8177 125.3667 51.8340 42.9283 174.6750 *78 S 4.3475 8.6427 116.8179 57.6581 63.9423 173.7763 79 S 4.1957 8.7074 121.4305 58.0574 63.1666 172.5437 80 P 4.5494 0.0000 0.0000 62.9777 32.0873 176.1049 81 I 4.1772 8.5803 124.5004 61.1927 38.5476 174.7249 82 E 4.9536 8.4428 126.1293 53.8214 32.5883 173.0745 83 P 4.4027 0.0000 0.0000 62.8702 32.2601 175.9853 84 D 4.4887 8.5153 119.0553 54.7384 40.8924 176.4261 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 6 P 0.00 4.39 0.00 2.20 2.03 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 7 L 8.26 3.99 0.00 1.79 1.65 0.72 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.43 4.32 0.00 2.02 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 2.40 2.31 0.00 9 K 7.62 4.06 0.00 1.90 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 10 I 6.80 4.44 2.19 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 1.51 1.05 1.09 0.00 0.00 11 A 6.77 3.31 -0.15 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 12 P 0.00 4.62 0.00 2.09 2.03 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.06 0.00 13 Y 7.23 3.87 0.00 2.87 2.72 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 0.00 0.00 0.00 0.00 14 P 0.00 4.37 0.00 2.10 1.99 0.00 3.41 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 15 Q 8.27 4.18 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 16 A 8.25 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.24 0.00 2.06 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 0.00 2.41 2.32 0.00 18 K 8.39 3.99 0.00 1.77 1.64 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.02 7.81 19 G 9.15 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 20 M 7.87 4.75 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 21 K 8.22 4.60 0.00 1.66 1.63 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.39 7.81 22 R 8.52 4.51 0.00 1.74 1.74 0.00 3.14 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 23 Q 8.53 4.71 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 V 8.03 4.33 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 0.73 0.00 0.00 0.77 0.00 0.00 25 I 8.29 4.25 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 1.26 0.74 0.88 0.00 0.00 26 Q 8.38 4.40 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 27 L 8.16 4.18 0.00 1.66 1.57 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.17 4.25 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 1.20 0.00 0.00 29 P 0.00 4.55 0.00 2.06 2.04 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 30 Q 8.65 4.60 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 31 E 9.05 3.99 0.00 1.98 1.87 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 2.23 1.88 0.00 32 D 7.85 4.82 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.12 0.00 2.07 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 2.37 2.43 0.00 34 S 8.14 4.24 0.00 3.98 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 35 T 7.30 4.47 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 1.27 0.00 0.00 36 L 7.53 4.90 0.00 1.57 1.55 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.21 4.66 0.00 1.67 1.65 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.41 7.81 38 V 8.13 4.29 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 0.75 0.00 0.00 0.91 0.00 0.00 39 E 8.63 4.46 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 40 L 8.25 4.21 0.00 1.52 1.42 0.50 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.24 4.41 0.00 1.52 1.54 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.58 4.16 1.35 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.33 -0.19 0.00 0.00 43 G 7.91 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 44 Q 8.37 4.44 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 45 T 8.53 3.99 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 1.20 0.00 0.00 46 L 8.38 4.74 0.00 1.54 1.49 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.48 4.55 0.00 1.97 1.74 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 2.14 1.84 0.00 48 V 7.78 4.61 1.92 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 0.70 0.00 0.00 0.81 0.00 0.00 49 D 8.01 5.03 0.00 2.81 1.99 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 50 C 9.09 4.55 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 L 8.53 4.20 0.00 1.58 1.61 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.15 4.89 0.00 2.99 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.50 4.68 0.00 1.72 1.81 0.00 3.30 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 55 L 8.77 4.41 0.00 1.66 1.62 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.41 3.95 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 0.00 57 G 8.63 3.76 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 0.00 0.00 0.00 58 K 7.92 4.74 0.00 1.37 1.62 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 59 L 8.90 5.09 0.00 1.89 1.75 1.12 0.76 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 60 E 9.37 4.81 0.00 1.66 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 61 N 8.69 4.85 0.00 2.73 2.67 0.00 0.00 6.85 6.68 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 62 K 8.40 4.54 0.00 0.79 1.08 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.20 7.81 63 T 7.94 4.82 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 64 L 9.84 4.38 0.00 1.96 1.73 0.86 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.92 4.03 0.00 2.02 1.78 0.00 0.00 0.00 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 1.92 0.00 66 G 8.97 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.33 4.03 0.00 3.07 2.29 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 68 G 8.40 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.01 5.07 0.00 2.90 2.90 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 0.00 0.00 0.00 0.00 70 D 8.88 5.26 0.00 2.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.95 4.91 0.00 3.08 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 9.00 5.25 0.00 2.87 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 73 V 9.03 4.55 2.18 0.00 0.00 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 1.15 0.00 0.00 74 F 9.08 5.40 0.00 3.07 2.99 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 75 D 7.82 4.48 0.00 2.63 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 *78 S 8.64 4.35 0.00 4.03 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 79 S 8.71 4.20 0.00 3.89 3.87 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 80 P 0.00 4.55 0.00 1.99 2.04 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 81 I 8.58 4.18 1.89 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 1.13 0.81 0.92 0.00 0.00 82 E 8.44 4.95 0.00 1.89 1.73 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 2.10 2.42 0.00 83 P 0.00 4.40 0.00 2.20 2.02 0.00 3.93 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 84 D 8.52 4.49 0.00 2.68 2.61 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 * Residues marked with a * may have inaccurate shift predictions.