NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 P 4.5959 0.0000 0.0000 61.7662 32.7700 177.6994 0 P 4.6204 0.0000 0.0000 61.1076 32.8656 175.9620 1 P 4.2662 0.0000 0.0000 63.2685 32.2824 176.3063 2 N 4.7122 8.5053 120.6428 51.5455 40.2145 175.1447 3 E 3.9011 8.6826 119.5327 59.9939 29.5129 178.6969 4 E 3.9379 8.2444 117.5316 59.3222 29.3213 179.1117 5 A 4.0479 8.2380 120.1784 54.9233 18.7735 179.7526 6 R 4.0123 8.2573 117.1014 59.3732 30.1552 178.8074 7 L 3.9513 8.1454 120.3851 58.5038 42.0487 178.8058 8 D 4.3517 8.2703 118.5762 57.3989 40.6264 178.8626 9 I 3.8927 7.7011 120.2674 64.0751 36.9474 178.4329 10 L 4.1436 7.7599 119.6565 57.7078 41.0598 179.4413 11 K 4.0415 8.3778 118.7279 59.2369 31.7085 179.5636 12 I 3.6986 7.3753 118.9449 64.7103 37.2358 177.7344 13 H 4.5472 7.8717 113.3882 57.0988 28.9173 176.7681 14 S 4.6732 7.6923 115.8026 58.9633 63.3972 175.3669 15 R 4.0203 7.3369 120.5945 58.6095 30.9868 177.1354 16 K 4.4701 7.7615 118.1784 55.6236 31.1327 177.7142 18 N 5.0426 7.4164 116.8887 50.9339 40.2119 173.9144 19 L 4.6472 8.1890 121.1123 54.5158 42.6751 177.0713 20 T 4.0751 9.0012 121.0956 63.2226 69.8689 173.9722 21 R 3.8054 8.5139 124.4778 58.0389 30.4410 176.5437 22 G 3.8313 8.8044 112.5903 46.4435 0.0000 173.3436 23 I 3.8828 7.1408 117.4531 60.1728 38.6722 175.8030 24 N 4.7541 9.1838 123.7060 51.3306 40.3961 175.0155 25 L 3.7209 8.1129 128.8119 57.1973 41.7659 179.1744 26 R 3.8706 7.9215 118.5824 59.3601 29.8994 178.5489 27 K 4.1208 8.3161 117.2508 59.3047 32.3480 179.1521 28 I 3.9142 7.2454 119.7614 64.1267 36.8506 178.0898 29 A 4.0250 7.7651 120.5663 55.3426 18.3114 179.3071 30 E 4.0354 8.2749 115.9770 58.7005 30.6401 178.5359 31 L 4.2776 7.3182 120.4612 52.1813 39.3068 175.1902 *33 P 4.0418 0.0000 0.0000 63.7297 32.9516 177.8321 34 G 3.8693 9.0966 110.0785 45.3244 0.0000 172.8268 35 A 4.6281 7.5540 122.8119 50.8847 20.1825 177.8124 36 S 4.5457 9.3040 117.6676 57.7671 65.4909 175.9718 37 G 3.6797 8.6423 108.8997 47.9402 0.0000 175.8403 38 A 4.0275 7.9290 122.4996 55.1377 18.4842 179.4219 39 E 3.9005 8.1552 116.8181 59.3480 29.0445 179.8116 40 V 3.6069 7.6802 118.1103 65.8249 31.6207 177.9880 41 K 3.9722 8.0982 119.4903 59.4474 32.0159 178.9539 42 G 3.6046 8.2721 106.2614 47.7939 0.0000 175.8111 43 V 3.7600 7.7754 120.4914 65.8214 31.4767 178.0928 44 C 4.0623 7.7607 116.3377 63.0281 27.8692 176.1291 45 T 3.8226 7.5309 109.9027 64.9525 68.3846 176.0899 46 E 3.8825 8.4986 120.5735 58.7514 29.5580 178.8568 47 A 4.2954 7.7446 121.2888 54.6314 18.1900 180.4720 48 G 3.6301 7.6820 103.0691 45.4038 0.0000 175.1661 *50 Y 4.6145 7.9785 120.4434 57.7064 40.2411 177.7209 51 A 3.9222 7.8219 121.6109 55.2570 18.4573 179.4828 52 L 3.8764 8.0549 117.5724 58.1454 41.5039 179.8175 53 R 3.9550 7.3099 114.0906 58.7003 29.8884 177.3676 54 E 4.5243 7.9391 116.1315 54.9881 30.1348 175.7561 55 R 3.8728 8.1817 116.7172 57.6358 28.1900 176.3278 56 R 4.6205 7.9393 115.0384 54.3835 32.7339 176.7378 57 V 3.9410 8.2912 121.0945 62.9659 32.4606 175.6143 58 H 5.0611 7.7809 116.4048 54.2889 29.8686 174.8972 59 V 4.4949 8.7678 123.5710 62.0620 33.3626 175.0596 60 T 4.9206 9.1182 117.7461 59.8432 71.6026 175.1947 61 Q 4.0947 8.7670 121.8852 59.3744 28.6946 177.8264 62 E 4.1414 8.1337 119.2185 59.1429 29.8041 177.9511 63 D 4.3875 7.6628 117.8739 57.4412 41.2367 178.5273 64 F 4.2444 8.2404 117.8954 60.4888 38.4329 178.2500 65 E 3.8477 8.5444 114.7827 57.1654 28.9992 178.6913 *67 A 4.4865 7.9067 123.8926 52.4522 20.4284 179.8240 68 V 3.6170 7.9891 114.8169 66.4440 31.2789 178.1944 69 A 4.0896 7.5245 118.1004 54.7424 18.1898 179.4001 70 K 4.1009 7.2551 114.5457 59.7014 32.5330 178.9646 71 V 3.7341 7.8916 116.8343 65.1184 31.2681 176.2919 *73 Q 4.1507 7.9313 120.9509 55.8439 28.7506 179.6083 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 P 0.00 4.60 0.00 2.11 2.00 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 0 P 0.00 4.62 0.00 2.14 1.95 0.00 3.73 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 1.84 1.64 0.00 1 P 0.00 4.27 0.00 2.18 2.13 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 2 N 8.51 4.71 0.00 3.02 3.03 0.00 0.00 5.87 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 3 E 8.68 3.90 0.00 2.05 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 0.00 2.38 2.42 0.00 4 E 8.24 3.94 0.00 2.14 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 2.32 0.00 5 A 8.24 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 4.01 0.00 2.04 2.00 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 7 L 8.15 3.95 0.00 1.80 1.83 0.89 1.52 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 D 8.27 4.35 0.00 2.89 2.71 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 9 I 7.70 3.89 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 1.00 0.00 0.00 10 L 7.76 4.14 0.00 1.90 1.72 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.38 4.04 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 12 I 7.38 3.70 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.73 0.00 0.00 13 H 7.87 4.55 0.00 3.18 3.39 0.00 5.64 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 14 S 7.69 4.67 0.00 3.89 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 15 R 7.34 4.02 0.00 2.08 2.00 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 16 K 7.76 4.47 0.00 1.80 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 18 N 7.42 5.04 0.00 2.84 2.74 0.00 0.00 7.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.19 4.65 0.00 1.56 1.65 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 T 9.00 4.08 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 1.20 0.00 0.00 21 R 8.51 3.81 0.00 1.76 1.84 0.00 3.30 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 22 G 8.80 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 0.00 0.00 0.00 23 I 7.14 3.88 2.02 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 0.98 0.95 0.82 0.00 0.00 24 N 9.18 4.75 0.00 2.65 2.60 0.00 0.00 7.40 6.51 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 25 L 8.11 3.72 0.00 1.62 1.57 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.92 3.87 0.00 1.84 2.06 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 27 K 8.32 4.12 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.62 7.81 28 I 7.25 3.91 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 1.04 0.00 0.00 29 A 7.77 4.03 1.34 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 30 E 8.27 4.04 0.00 2.09 2.04 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 2.53 2.62 0.00 31 L 7.32 4.28 0.00 1.81 1.66 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *33 P 0.00 4.04 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 34 G 9.10 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 0.00 0.00 0.00 35 A 7.55 4.63 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 36 S 9.30 4.55 0.00 4.02 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 37 G 8.64 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.93 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.90 0.00 2.24 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 0.00 2.33 2.32 0.00 40 V 7.68 3.61 2.25 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 1.07 0.00 0.00 1.01 0.00 0.00 41 K 8.10 3.97 0.00 1.81 1.92 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 0.97 7.81 42 G 8.27 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 0.00 0.00 0.00 43 V 7.78 3.76 2.34 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 1.19 0.00 0.00 1.03 0.00 0.00 44 C 7.76 4.06 0.00 3.22 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 45 T 7.53 3.82 4.18 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 1.20 0.00 0.00 46 E 8.50 3.88 0.00 1.94 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 2.37 2.39 0.00 47 A 7.74 4.30 0.56 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 0.00 0.00 48 G 7.68 3.63 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 0.00 0.00 0.00 *50 Y 7.98 4.61 0.00 3.23 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 51 A 7.82 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.88 0.00 1.66 1.72 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.31 3.95 0.00 1.81 2.21 0.00 3.37 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 54 E 7.94 4.52 0.00 2.08 1.93 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 2.27 2.35 0.00 55 R 8.18 3.87 0.00 1.93 2.01 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 56 R 7.94 4.62 0.00 1.82 1.55 0.00 3.08 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 57 V 8.29 3.94 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 0.78 0.00 0.00 0.94 0.00 0.00 58 H 7.78 5.06 0.00 3.23 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.77 4.49 2.25 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 1.06 0.00 0.00 0.94 0.00 0.00 60 T 9.12 4.92 4.30 0.00 0.00 0.00 0.00 0.00 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 61 Q 8.77 4.09 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 62 E 8.13 4.14 0.00 2.00 1.94 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 2.19 2.35 0.00 63 D 7.66 4.39 0.00 2.86 2.87 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 64 F 8.24 4.24 0.00 3.37 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 65 E 8.54 3.85 0.00 2.14 1.97 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 2.36 2.55 0.00 *67 A 7.91 4.49 1.50 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 0.00 0.00 68 V 7.99 3.62 2.27 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 1.04 0.00 0.00 1.12 0.00 0.00 69 A 7.52 4.09 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 70 K 7.26 4.10 0.00 1.98 2.13 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 71 V 7.89 3.73 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 0.90 0.00 0.00 0.99 0.00 0.00 *73 Q 7.93 4.15 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.42 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.