NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 K 4.3182 8.3149 120.1404 55.5884 32.4624 174.8297 17 P 4.4149 0.0000 0.0000 60.6003 32.8975 174.0614 18 F 4.1299 9.3171 126.8638 59.7309 39.5129 176.0606 19 L 3.8648 9.6416 125.2501 57.7741 42.9078 180.8037 20 K 4.5325 7.9015 120.4587 59.0432 32.9649 177.3842 21 G 3.7963 8.1060 105.6333 47.0476 0.0000 173.4250 22 L 4.4076 7.5403 118.4903 53.8535 43.2771 176.4751 23 V 3.7437 7.6308 119.0085 64.6767 31.6691 175.0308 24 N 4.2489 8.8567 122.3140 54.6145 36.9638 173.5635 25 H 4.9606 8.3615 114.5671 53.7983 32.6080 173.8484 26 R 4.4884 8.4904 121.2858 56.2322 30.7821 175.5044 27 V 4.9536 9.0037 119.7388 59.4299 36.5296 174.8202 28 G 4.3878 9.4323 109.6745 44.5289 0.0000 172.2263 29 V 4.7259 8.7286 125.6465 61.0592 33.7358 174.1683 30 K 4.5649 8.3731 129.2732 54.6082 34.3405 175.0887 31 L 5.1589 7.5243 125.7624 52.5105 43.1471 176.5161 32 K 3.9620 8.4987 120.1138 59.5645 31.6732 177.1883 33 F 4.4369 7.2585 115.1718 57.5604 39.3332 175.1301 34 N 4.4052 8.9031 119.2532 53.4531 35.3854 174.5840 35 S 3.6062 7.9739 109.6386 59.1398 62.5211 171.2197 36 T 4.6547 7.2874 116.6450 63.8615 70.0587 173.5793 37 E 4.7097 9.5303 126.3557 54.7197 33.4526 173.5661 38 Y 5.2401 9.2113 125.3139 56.8836 39.7159 174.6969 39 R 4.9331 8.9216 124.6333 55.0708 32.5293 176.6021 40 G 3.8438 8.2466 108.2877 46.9267 0.0000 172.2066 41 T 5.5151 7.8570 116.0465 61.2294 71.8285 173.5940 42 L 4.6258 8.1123 125.4739 53.7126 43.3322 176.1727 43 V 3.9188 8.6254 129.3306 64.6189 30.9855 175.4887 44 S 4.8513 7.6129 112.9804 57.2742 67.0280 172.3644 45 T 5.2813 8.3420 116.4646 62.3021 72.5345 172.8140 46 D 5.0314 8.2081 121.6308 51.7905 42.6503 177.3810 47 N 3.6927 8.4803 117.3789 56.7776 39.1143 175.8470 48 Y 3.9376 8.4110 115.0837 58.7084 38.0588 177.1011 49 F 3.5879 9.2251 119.1595 57.9730 37.6940 173.8533 50 N 5.1771 7.8502 119.2964 52.8566 39.6598 174.2996 51 L 5.1188 8.7252 122.3490 54.2057 44.8700 174.6840 52 Q 4.3936 8.8798 122.3277 54.6656 30.8178 173.9611 53 L 5.2453 8.6486 128.2760 53.2312 45.4298 174.3427 54 N 5.0775 9.0826 124.5648 51.4669 41.3820 173.8034 55 E 3.8351 8.4153 122.7650 57.4734 27.5791 174.7782 56 A 4.5669 8.2469 121.2296 51.6412 20.7168 177.6453 57 E 5.0797 9.3655 123.2822 52.9801 32.6437 174.6754 58 E 4.6834 8.8792 128.8505 56.4224 31.2290 175.3473 59 F 5.2313 9.4342 124.6597 55.7056 43.6311 173.9482 60 V 4.4906 8.5203 122.3864 61.2751 33.8607 175.0933 61 A 3.7873 9.8132 130.1561 53.1179 16.5449 177.8743 62 G 4.0056 8.7067 104.8092 46.4797 0.0000 173.9755 63 V 4.4724 7.7867 119.3065 60.6646 33.6913 174.5193 64 S 3.9766 8.4350 120.1290 57.9971 62.7843 173.4890 65 H 4.6500 8.2613 124.2460 55.6478 29.1018 172.6362 66 G 3.7593 6.9565 105.8095 44.3724 0.0000 173.3056 67 T 4.8021 8.2065 114.9324 61.5749 71.2518 173.7431 68 L 4.8569 8.7962 125.8214 51.3020 44.9413 180.2934 69 G 4.2278 8.6424 108.3335 46.3394 0.0000 175.2495 70 E 5.1424 9.0706 126.0967 54.6444 31.2610 173.7695 71 I 4.8992 8.6675 117.1724 59.0527 41.4719 174.2772 72 F 5.0744 8.9751 121.7827 56.0093 41.1909 174.8941 73 I 4.4085 9.1002 125.4927 60.1776 39.3995 175.1321 74 R 5.4251 8.5561 126.6224 55.5306 31.3532 177.8372 75 S 4.2563 9.4979 120.6996 61.8311 62.7941 172.8681 76 N 4.2833 8.1578 118.4940 56.8218 39.1362 175.6077 77 N 4.6669 8.2733 112.4507 53.7853 38.2650 174.3155 78 V 4.4761 8.1612 120.4872 60.9934 32.6655 175.1848 79 L 4.1784 8.4619 130.7215 57.3858 42.1952 176.0768 80 Y 4.8916 6.9534 114.0120 56.4851 41.1593 172.1485 81 I 5.4774 8.8803 120.1292 59.6363 40.4406 175.2022 82 R 4.8187 9.4335 121.6672 54.3765 33.5530 173.3455 83 E 4.7665 8.6182 120.5735 55.1414 30.7553 175.2501 84 L 4.4056 9.1689 128.8657 53.0100 42.7185 174.2643 85 P 4.1332 0.0000 0.0000 63.7690 30.9316 175.8349 86 N 4.3231 8.2673 119.6772 52.3184 37.2261 174.4679 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 16 K 8.31 4.32 0.00 1.78 1.93 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.56 7.81 17 P 0.00 4.41 0.00 2.14 2.01 0.00 3.69 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 2.03 2.16 0.00 18 F 9.32 4.13 0.00 3.06 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.64 3.86 0.00 1.72 1.66 0.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.90 4.53 0.00 1.76 1.71 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.44 7.81 21 G 8.11 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.54 4.41 0.00 1.66 1.65 0.91 0.70 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 23 V 7.63 3.74 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 0.84 0.00 0.00 1.00 0.00 0.00 24 N 8.86 4.25 0.00 2.88 2.82 0.00 0.00 6.84 8.08 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 25 H 8.36 4.96 0.00 3.19 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.49 4.49 0.00 1.91 1.84 0.00 3.13 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 27 V 9.00 4.95 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 0.69 0.00 0.00 0.97 0.00 0.00 28 G 9.43 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.73 4.73 2.30 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 0.99 0.00 0.00 1.01 0.00 0.00 30 K 8.37 4.56 0.00 1.40 0.74 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.78 1.06 7.81 31 L 7.52 5.16 0.00 0.93 0.90 0.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.50 3.96 0.00 1.72 1.85 0.00 1.96 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.57 7.81 33 F 7.26 4.44 0.00 3.16 3.08 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 34 N 8.90 4.41 0.00 2.97 3.07 0.00 0.00 7.09 7.27 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 35 S 7.97 3.61 0.00 4.03 4.04 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 0.00 0.00 0.00 36 T 7.29 4.65 3.90 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 0.77 0.00 0.00 37 E 9.53 4.71 0.00 1.76 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 2.11 2.30 0.00 38 Y 9.21 5.24 0.00 3.04 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 39 R 8.92 4.93 0.00 1.99 1.88 0.00 2.34 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 40 G 8.25 3.84 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 0.00 0.00 0.00 41 T 7.86 5.52 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 42 L 8.11 4.63 0.00 1.75 1.52 0.99 0.78 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 43 V 8.63 3.92 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 0.87 0.00 0.00 0.85 0.00 0.00 44 S 7.61 4.85 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.34 5.28 4.21 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 1.11 0.00 0.00 46 D 8.21 5.03 0.00 2.90 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 47 N 8.48 3.69 0.00 2.90 2.96 0.00 0.00 6.98 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 48 Y 8.41 3.94 0.00 3.49 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.23 3.59 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 5.18 0.00 3.07 2.85 0.00 0.00 6.49 6.62 0.00 0.00 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 L 8.73 5.12 0.00 1.73 1.71 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.88 4.39 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 53 L 8.65 5.25 0.00 1.63 1.35 0.97 0.53 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 54 N 9.08 5.08 0.00 2.77 2.59 0.00 0.00 7.20 7.27 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 55 E 8.42 3.84 0.00 2.12 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 2.27 2.24 0.00 56 A 8.25 4.57 1.30 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 0.00 0.00 0.00 57 E 9.37 5.08 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 2.01 2.04 0.00 58 E 8.88 4.68 0.00 2.33 1.83 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 2.32 2.26 0.00 59 F 9.43 5.23 0.00 3.02 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 60 V 8.52 4.49 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 0.87 0.00 0.00 0.65 0.00 0.00 61 A 9.81 3.79 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 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 63 V 7.79 4.47 2.28 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 1.00 0.00 0.00 0.99 0.00 0.00 64 S 8.44 3.98 0.00 3.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.26 4.65 0.00 3.07 3.22 0.00 5.71 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 66 G 6.96 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 67 T 8.21 4.80 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 1.32 0.00 0.00 68 L 8.80 4.86 0.00 1.44 1.54 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.64 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 70 E 9.07 5.14 0.00 1.98 1.79 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 2.33 2.27 0.00 71 I 8.67 4.90 1.76 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.02 0.81 0.00 0.00 72 F 8.98 5.07 0.00 2.82 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 I 9.10 4.41 2.01 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 1.14 1.07 1.00 0.00 0.00 74 R 8.56 5.43 0.00 1.81 1.93 0.00 3.98 0.00 0.00 3.41 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 75 S 9.50 4.26 0.00 3.65 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.16 4.28 0.00 2.69 2.93 0.00 0.00 6.99 7.79 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 77 N 8.27 4.67 0.00 2.85 3.01 0.00 0.00 6.62 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 78 V 8.16 4.48 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 0.84 0.00 0.00 1.11 0.00 0.00 79 L 8.46 4.18 0.00 1.52 1.45 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 6.95 4.89 0.00 3.05 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 81 I 8.88 5.48 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.05 1.08 0.00 0.00 82 R 9.43 4.82 0.00 1.79 2.07 0.00 2.78 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 83 E 8.62 4.77 0.00 1.97 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 2.24 2.48 0.00 84 L 9.17 4.41 0.00 1.62 1.56 0.96 -0.05 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 85 P 0.00 4.13 0.00 2.16 2.12 0.00 3.77 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 1.97 1.96 0.00 86 N 8.27 4.32 0.00 2.87 2.82 0.00 0.00 6.13 7.56 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