NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6268 8.2233 120.1923 53.9859 42.7430 176.3758 6 D 4.2425 8.6677 126.4050 57.0913 40.8047 177.2603 7 D 4.5037 9.0068 120.3503 57.4228 41.1281 178.2165 8 D 4.3779 8.1768 119.4844 56.8474 40.7119 178.9201 9 K 3.9705 7.8480 118.9779 59.1219 31.9615 179.1882 10 K 4.0350 8.0304 119.3509 59.9805 32.2190 178.5898 11 T 3.7856 8.0437 116.0342 66.9455 68.3050 176.3402 12 N 4.2327 8.3480 118.2250 55.8572 38.4384 177.4082 13 W 4.1188 8.2236 120.5256 60.0259 29.2383 178.6463 14 L 3.6577 8.1767 118.9606 57.2182 41.0288 179.5386 15 K 3.8146 8.2122 120.1679 59.3281 32.0722 178.8950 16 R 3.7894 8.1148 119.1156 59.5437 29.6751 178.1965 17 I 3.6511 8.0217 120.0206 64.9270 36.8492 177.7585 18 Y 3.7771 7.7032 118.8449 60.2928 38.6450 177.4540 19 R 3.9176 7.5952 118.7543 59.2710 30.4612 178.2581 20 V 4.1824 7.7412 108.9468 61.1989 32.4501 176.6399 21 R 4.4007 7.1169 117.9162 53.0225 30.4855 173.4333 22 P 4.3226 0.0000 0.0000 61.6629 32.5165 175.8468 23 C 3.7635 9.1103 117.8483 59.4834 31.2746 175.1708 24 V 3.6617 8.5780 121.6512 63.5732 31.4776 176.9142 25 K 3.8177 7.7602 119.2885 57.9406 33.0053 176.9308 26 C 4.1792 7.7925 111.8899 58.1775 30.2554 174.9163 27 K 4.0477 8.0575 118.2227 56.9458 30.2306 175.3751 28 V 4.1171 7.4919 115.9503 64.2192 33.3729 175.9295 29 A 4.1253 7.7400 122.7351 51.4063 18.8177 175.2411 30 P 4.6113 0.0000 0.0000 62.0101 32.4454 176.4004 31 R 4.2926 7.8327 117.8244 55.7658 30.8897 176.2084 32 D 4.9879 8.7673 120.7487 54.7850 42.5777 174.7715 33 W 5.5249 8.2377 116.8236 55.9230 30.5425 173.5032 34 K 4.5038 8.9352 119.6272 55.4000 35.9655 175.1579 35 V 4.3643 8.4172 121.7549 61.8063 32.4149 176.1914 36 K 4.5195 8.4831 127.5123 54.9050 32.2787 174.8949 37 N 4.4472 8.1901 119.5341 53.2816 38.7796 173.5504 38 K 4.7179 8.5669 115.8433 56.4741 34.9636 175.7590 39 H 5.4175 8.2536 118.2428 53.8474 32.2968 172.9865 40 L 4.9355 8.8934 124.1301 53.6918 43.8619 175.2694 41 R 4.8466 8.8062 128.1944 54.6783 31.3434 175.2191 42 I 4.7416 8.8897 129.5031 60.3057 37.9831 176.1062 43 F 4.9670 9.3292 126.8893 57.1884 39.8740 176.9002 44 N 4.6093 9.4741 118.2569 55.7169 38.8899 175.3925 45 M 5.1300 7.5242 113.8205 52.6023 35.6675 174.8258 46 C 4.8923 8.3495 116.2213 57.9913 31.9180 174.6541 47 K 4.0433 8.5312 120.9732 59.7236 31.7309 178.8503 48 T 3.8781 7.8761 115.6628 66.9739 68.4586 176.3207 49 C 4.2047 8.1025 118.1122 62.5521 28.2377 175.7892 50 F 4.2065 8.3173 122.3099 61.4986 39.2026 176.7015 51 N 4.0596 8.5717 116.4637 56.3979 38.3035 176.7672 52 N 4.2554 8.2206 118.3629 56.7512 38.9620 176.8497 53 S 4.1070 8.3058 115.9021 61.5519 62.9228 176.6021 54 I 3.5449 7.2718 122.6129 64.3668 36.6723 177.9991 55 D 4.3853 7.6214 117.9978 57.0808 40.7505 178.3032 56 I 4.1547 7.8743 111.1874 60.7348 38.1504 176.2675 57 G 3.7241 7.7981 108.2850 46.3380 0.0000 172.5834 58 D 4.7719 8.3001 119.7605 52.2318 42.8033 175.1389 59 D 4.3502 8.3559 124.7050 53.1586 39.9700 178.0552 60 T 3.6194 7.9550 118.5834 66.8703 68.3012 174.6315 61 Y 4.6719 7.5737 115.1037 57.8308 38.4274 175.3223 62 H 4.5557 8.1477 118.6274 54.6207 29.3989 175.9788 63 G 4.1657 8.0352 111.0610 45.8259 0.0000 170.2152 64 H 5.1257 7.5262 114.0050 54.7818 30.9175 172.8181 65 V 4.2961 8.4382 119.0484 61.2943 34.1521 173.7694 66 D 5.3313 8.4221 127.0939 53.0106 43.1818 175.3335 67 W 5.1357 8.9360 121.5445 54.4299 32.9402 174.5527 68 L 4.1816 8.8056 127.3717 55.6938 41.6954 176.6419 69 M 4.1681 8.5920 125.4015 56.4647 32.3596 175.6954 70 Y 4.8138 7.4957 115.1410 55.7572 41.1996 175.4962 71 A 4.2362 9.1347 124.3572 53.8923 18.8993 177.6251 72 D 4.9853 8.0410 114.7773 52.3600 43.4779 175.8528 73 S 4.4152 8.6572 119.3990 58.5711 63.3606 173.8529 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 D 8.22 4.63 0.00 2.70 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 6 D 8.67 4.24 0.00 2.85 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 7 D 9.01 4.50 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.18 4.38 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 3.97 0.00 2.05 1.98 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 10 K 8.03 4.04 0.00 1.94 2.03 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.58 7.81 11 T 8.04 3.79 4.20 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 0.00 0.00 0.00 1.13 0.00 0.00 12 N 8.35 4.23 0.00 2.52 2.65 0.00 0.00 7.05 7.31 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 13 W 8.22 4.12 0.00 3.63 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 14 L 8.18 3.66 0.00 1.64 1.45 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.21 3.81 0.00 1.77 1.96 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 16 R 8.11 3.79 0.00 1.71 2.03 0.00 2.85 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 17 I 8.02 3.65 1.46 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 0.47 0.00 0.00 18 Y 7.70 3.78 0.00 2.86 3.04 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 19 R 7.60 3.92 0.00 1.88 1.90 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 20 V 7.74 4.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 21 R 7.12 4.40 0.00 1.73 1.86 0.00 3.21 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 22 P 0.00 4.32 0.00 2.13 2.01 0.00 3.77 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 23 C 9.11 3.76 0.00 3.01 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 24 V 8.58 3.66 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 0.82 0.00 0.00 0.94 0.00 0.00 25 K 7.76 3.82 0.00 1.31 1.68 0.00 1.32 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.36 7.81 26 C 7.79 4.18 0.00 3.13 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 27 K 8.06 4.05 0.00 1.93 1.96 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.29 1.47 7.81 28 V 7.49 4.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 29 A 7.74 4.13 1.29 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 0.00 0.00 30 P 0.00 4.61 0.00 2.12 1.91 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 31 R 7.83 4.29 0.00 2.01 2.31 0.00 3.29 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 32 D 8.77 4.99 0.00 2.95 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 33 W 8.24 5.52 0.00 3.49 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 K 8.94 4.50 0.00 1.73 1.87 0.00 1.33 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 35 V 8.42 4.36 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 0.83 0.00 0.00 1.20 0.00 0.00 36 K 8.48 4.52 0.00 1.80 1.82 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.39 7.81 37 N 8.19 4.45 0.00 2.95 2.78 0.00 0.00 7.14 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 38 K 8.57 4.72 0.00 1.83 1.92 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.78 1.59 7.81 39 H 8.25 5.42 0.00 3.09 3.23 0.00 5.79 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 40 L 8.89 4.94 0.00 1.74 1.62 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.81 4.85 0.00 1.84 1.78 0.00 2.81 0.00 0.00 2.54 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 42 I 8.89 4.74 2.19 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 1.19 0.00 0.00 43 F 9.33 4.97 0.00 3.09 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.47 4.61 0.00 3.13 3.04 0.00 0.00 7.12 7.24 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 45 M 7.52 5.13 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 46 C 8.35 4.89 0.00 3.21 3.31 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 47 K 8.53 4.04 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.60 7.81 48 T 7.88 3.88 4.27 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 1.23 0.00 0.00 49 C 8.10 4.20 0.00 3.03 3.02 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 50 F 8.32 4.21 0.00 3.20 3.22 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 0.00 51 N 8.57 4.06 0.00 2.73 2.82 0.00 0.00 6.75 6.48 0.00 0.00 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 N 8.22 4.26 0.00 2.89 3.04 0.00 0.00 6.99 6.99 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 53 S 8.31 4.11 0.00 4.31 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 0.00 54 I 7.27 3.54 1.82 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.72 0.81 0.00 0.00 55 D 7.62 4.39 0.00 2.82 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 56 I 7.87 4.15 1.87 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 1.71 0.56 0.94 0.00 0.00 57 G 7.80 3.72 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 0.00 0.00 0.00 58 D 8.30 4.77 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.35 0.00 2.68 2.73 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 0.00 0.00 0.00 60 T 7.95 3.62 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 61 Y 7.57 4.67 0.00 3.12 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 62 H 8.15 4.56 0.00 3.37 3.41 0.00 5.77 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 63 G 8.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.53 5.13 0.00 2.96 3.12 0.00 5.48 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.44 4.30 2.23 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 0.55 0.00 0.00 0.93 0.00 0.00 66 D 8.42 5.33 0.00 2.50 2.50 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 67 W 8.94 5.14 0.00 3.27 3.09 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 0.00 0.00 0.00 0.00 68 L 8.81 4.18 0.00 1.65 1.63 0.98 1.09 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 69 M 8.59 4.17 0.00 1.41 1.61 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 70 Y 7.50 4.81 0.00 2.99 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 71 A 9.13 4.24 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.99 0.00 2.64 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 0.00 0.00 0.00 73 S 8.66 4.42 0.00 4.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00