NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4331 8.1627 118.3251 55.2148 33.5897 173.4618 2 Q 4.6725 8.2580 121.6572 53.2911 30.8590 172.9114 3 I 4.4241 9.1384 120.2205 58.9242 42.2076 173.3353 4 F 5.5190 8.7877 119.9196 55.7327 42.6266 175.0800 5 V 4.8386 8.8248 121.1734 61.1636 34.8396 174.0233 6 K 4.8522 9.1804 130.8644 55.3582 33.3611 176.6953 7 T 4.5150 8.9771 119.1248 60.3466 70.1602 175.3759 8 L 3.9392 8.3997 123.0295 58.3184 42.0072 177.6112 9 T 4.0621 7.8164 105.8871 62.1514 69.0342 175.1996 10 G 3.8851 8.2380 111.0422 45.1142 0.0000 173.2625 11 K 4.1813 7.6581 121.1055 56.2786 33.4411 175.7135 12 T 5.0688 8.5404 124.5654 62.2651 69.5902 174.1014 13 I 4.6655 8.7963 121.2515 59.4252 40.5288 174.9935 14 T 4.9790 8.4116 113.3458 61.1008 70.5344 173.9228 15 L 4.7949 8.6605 122.3071 53.1129 46.5448 174.8725 16 E 4.8242 8.7267 123.4573 55.1964 30.4306 175.3672 17 V 4.7410 8.8207 119.7152 59.8582 36.2960 174.5071 18 E 4.6756 9.0042 121.0414 53.9862 31.8263 175.9026 19 P 4.1656 0.0000 0.0000 65.7075 31.5662 178.4230 20 S 4.3287 7.9049 110.3173 59.4327 63.7089 174.1854 21 D 4.3984 8.1724 123.8286 54.6195 41.2226 176.3952 22 T 4.6084 8.4284 114.2219 61.2987 71.0278 175.9559 23 I 3.7338 8.4186 122.8801 64.4117 37.0362 178.3253 24 E 3.9177 8.1557 120.0840 59.5156 29.4313 178.7149 25 N 4.3306 8.1224 116.3898 56.2923 38.5948 177.5968 26 V 3.5725 7.8229 119.6269 65.8494 31.5346 178.1636 27 K 4.4470 8.6000 119.6208 58.9574 31.8270 179.0061 28 A 3.9861 7.9715 120.9073 55.2300 18.2150 179.8736 29 K 3.9184 8.0603 116.8686 59.6169 32.1170 179.7082 30 I 3.6988 7.9035 120.1546 64.1895 36.9129 178.0889 31 Q 4.1352 8.2360 122.0406 58.8397 28.6703 178.2847 32 D 4.3273 8.0638 118.4737 57.1672 40.9072 178.4156 33 K 4.1369 8.1082 118.9879 58.6579 32.5149 177.8054 34 E 4.5848 8.8555 116.0309 55.4740 30.9552 177.1833 35 G 3.9164 8.2229 107.0371 45.0992 0.0000 173.4128 36 I 3.9613 7.4263 121.5939 59.8585 37.8363 173.8104 37 P 4.4271 0.0000 0.0000 61.6537 32.0893 175.7030 38 P 4.2929 0.0000 0.0000 66.0031 31.2815 178.2628 39 D 4.4816 7.9984 117.2469 56.6369 41.0631 177.3213 40 Q 4.1666 8.0957 118.2977 57.9813 29.4423 175.7563 41 Q 4.5222 7.9315 118.3447 55.4696 30.1936 175.3991 42 R 4.7899 9.0146 123.1172 54.4753 33.0651 174.6280 43 L 5.0735 8.4560 124.2575 53.4153 44.1249 175.8014 44 I 5.0820 8.6909 123.0839 59.5939 41.4912 174.2491 45 F 5.0329 8.8599 127.5951 57.0092 43.0951 174.2381 46 A 3.2403 8.9152 127.7980 53.2536 15.8600 177.8572 47 G 3.8993 8.3783 104.7503 47.0890 0.0000 174.2873 48 K 4.5967 7.7051 118.4878 53.9973 35.3667 175.0869 49 Q 4.6433 8.5098 124.0741 55.8101 29.6560 175.3840 50 L 4.0502 8.9168 127.1183 54.4858 42.9605 176.2249 51 E 4.5398 9.5338 122.4357 55.1387 31.1957 177.1218 52 D 4.3753 9.1088 123.5129 57.4359 41.0339 178.5012 53 G 3.9333 7.9947 104.2563 45.6711 0.0000 173.5031 54 R 4.5057 7.8271 119.7249 55.0589 31.8056 175.4811 55 T 5.0360 8.4828 109.8444 59.7794 71.3284 175.7238 56 L 4.1044 8.4267 122.2084 58.0344 41.4731 179.7908 57 S 4.0516 8.1760 112.9675 61.7056 62.0982 175.9245 58 D 4.3350 7.8380 120.0145 56.8474 40.5241 177.5436 59 Y 4.6638 7.1059 112.8168 56.5309 38.5641 174.8658 60 N 4.1593 7.9067 117.2383 54.5468 37.9656 173.9558 61 I 3.6544 7.7781 118.0144 60.0631 37.5737 176.1046 62 Q 4.4576 8.4000 124.8944 53.3027 30.7087 175.0083 63 K 3.8378 8.3384 119.5168 58.6412 32.1655 176.2246 64 E 3.6703 9.0899 124.0175 56.7776 27.8439 174.8054 65 S 4.6275 7.9060 115.7107 58.9587 64.3709 173.1824 66 T 5.2266 8.7229 118.0566 62.0899 70.7915 173.7279 67 L 5.0287 9.2295 126.7077 53.7768 44.6671 175.0492 68 H 5.2253 9.2608 119.0778 54.2239 31.1282 173.5584 69 L 5.0796 8.8761 125.7462 53.4303 43.4220 175.5829 70 V 4.5390 8.8295 126.3749 61.1019 34.6192 174.0460 71 L 5.0638 8.3612 126.0191 53.1613 43.6746 176.0287 72 R 4.1993 9.1857 124.8542 55.9121 30.5819 175.5903 73 L 4.7555 8.5611 126.3821 52.9617 43.9999 176.0005 74 R 4.7331 8.0361 121.3242 54.4086 33.8542 175.7675 75 G 3.7740 8.3620 107.1692 46.6668 0.0000 173.4916 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 M 8.16 4.43 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 2 Q 8.26 4.67 0.00 2.13 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 1.92 2.24 0.00 3 I 9.14 4.42 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.62 0.78 0.00 0.00 4 F 8.79 5.52 0.00 2.99 2.91 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 0.00 0.00 0.00 5 V 8.82 4.84 2.11 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 1.04 0.00 0.00 0.94 0.00 0.00 6 K 9.18 4.85 0.00 1.75 1.49 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.34 7.81 7 T 8.98 4.52 4.25 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 0.00 0.00 0.00 1.27 0.00 0.00 8 L 8.40 3.94 0.00 1.62 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.82 4.06 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 1.21 0.00 0.00 10 G 8.24 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 11 K 7.66 4.18 0.00 1.91 1.69 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.54 5.07 4.19 0.00 0.00 0.00 0.00 0.00 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 13 I 8.80 4.67 1.90 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 1.49 0.73 1.00 0.00 0.00 14 T 8.41 4.98 4.25 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 0.00 0.00 0.00 1.46 0.00 0.00 15 L 8.66 4.79 0.00 1.48 1.47 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.82 0.00 1.92 1.82 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 2.20 2.35 0.00 17 V 8.82 4.74 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 0.69 0.00 0.00 0.90 0.00 0.00 18 E 9.00 4.68 0.00 1.88 1.80 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 2.21 2.23 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.90 4.33 0.00 3.96 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 21 D 8.17 4.40 0.00 2.81 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 22 T 8.43 4.61 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 1.21 0.00 0.00 23 I 8.42 3.73 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.11 0.92 0.00 0.00 24 E 8.16 3.92 0.00 2.20 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 2.31 2.37 0.00 25 N 8.12 4.33 0.00 3.02 2.84 0.00 0.00 6.69 7.77 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 26 V 7.82 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 27 K 8.60 4.45 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.50 7.81 28 A 7.97 3.99 1.39 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 29 K 8.06 3.92 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.68 7.81 30 I 7.90 3.70 2.13 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.95 0.00 0.00 31 Q 8.24 4.14 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 D 8.06 4.33 0.00 2.89 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 33 K 8.11 4.14 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 34 E 8.86 4.58 0.00 2.02 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 2.25 2.44 0.00 35 G 8.22 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 0.00 0.00 0.00 36 I 7.43 3.96 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.18 1.97 0.00 3.61 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 P 0.00 4.29 0.00 2.21 2.32 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 39 D 8.00 4.48 0.00 2.69 2.78 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 0.00 0.00 0.00 40 Q 8.10 4.17 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 41 Q 7.93 4.52 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 42 R 9.01 4.79 0.00 1.83 1.94 0.00 3.11 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.46 5.07 0.00 1.56 1.54 0.91 0.77 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 44 I 8.69 5.08 1.90 0.00 0.00 0.86 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 0.76 0.94 0.00 0.00 45 F 8.86 5.03 0.00 2.91 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 46 A 8.92 3.24 0.97 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 47 G 8.38 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 0.00 0.00 0.00 0.00 48 K 7.71 4.60 0.00 1.77 1.68 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.51 7.81 49 Q 8.51 4.64 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 50 L 8.92 4.05 0.00 1.37 1.18 0.68 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.53 4.54 0.00 2.03 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 2.34 2.41 0.00 52 D 9.11 4.38 0.00 2.76 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 53 G 7.99 3.93 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 0.00 0.00 0.00 54 R 7.83 4.51 0.00 2.15 1.61 0.00 2.99 0.00 0.00 2.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 55 T 8.48 5.04 4.46 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 0.00 0.00 0.00 1.24 0.00 0.00 56 L 8.43 4.10 0.00 1.86 1.70 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.18 4.05 0.00 4.02 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 58 D 7.84 4.34 0.00 2.66 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 59 Y 7.11 4.66 0.00 3.07 2.91 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 0.00 0.00 0.00 60 N 7.91 4.16 0.00 2.94 3.04 0.00 0.00 7.11 7.97 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 61 I 7.78 3.65 1.77 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.10 0.57 0.00 0.00 62 Q 8.40 4.46 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.89 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 63 K 8.34 3.84 0.00 1.67 1.73 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.43 7.81 64 E 9.09 3.67 0.00 2.21 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 0.00 2.34 2.23 0.00 65 S 7.91 4.63 0.00 3.75 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.72 5.23 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 1.27 0.00 0.00 67 L 9.23 5.03 0.00 1.59 1.62 0.86 0.77 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 68 H 9.26 5.23 0.00 3.04 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.88 5.08 0.00 1.59 1.68 0.99 0.83 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 70 V 8.83 4.54 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 1.01 0.00 0.00 0.95 0.00 0.00 71 L 8.36 5.06 0.00 1.56 1.57 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.19 4.20 0.00 1.78 1.99 0.00 3.21 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.56 4.76 0.00 1.64 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.04 4.73 0.00 1.75 1.79 0.00 3.26 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 8.36 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 0.00 0.00 0.00