NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8122 8.1676 122.8248 57.7850 41.8995 176.4979 2 V 3.8502 7.6155 120.3051 62.3531 32.0904 176.7375 3 N 4.4409 9.0124 118.5797 55.7524 37.8185 178.3648 4 Q 4.0600 8.1883 120.0245 58.6950 28.6737 177.6077 5 Y 4.1212 7.8796 120.1560 60.6063 38.6300 177.4702 6 L 4.1516 8.5061 120.4223 57.7840 41.8398 178.9420 7 C 4.2693 8.5208 119.1176 62.4002 31.5052 175.8560 8 G 3.6302 8.1144 107.4063 47.7089 0.0000 175.4784 9 S 3.9069 7.5416 114.5075 61.6439 62.3727 176.0180 10 H 4.3442 8.0899 118.1323 58.2283 28.5309 177.5672 11 L 3.9202 7.6890 120.9149 57.8649 41.4824 179.6810 12 V 3.3166 7.5614 118.0373 65.8967 31.4179 177.9650 13 E 3.9771 7.6937 118.4039 59.1734 29.2106 179.1233 14 A 4.0006 7.9298 120.8499 55.0744 18.3580 179.6815 15 L 3.6555 7.9670 117.8046 57.8381 41.6380 179.0670 16 Y 4.1451 7.8349 119.5363 60.5990 38.5186 178.0108 17 L 3.9473 7.7045 119.9735 58.1273 42.3215 178.8515 18 V 3.7002 7.6997 117.1735 66.1472 31.8674 177.4412 19 C 4.2915 8.5762 115.7088 60.2639 28.4981 175.5546 20 G 3.7142 8.0640 108.9535 45.5654 0.0000 176.1352 21 E 3.9507 9.0061 122.7772 59.4482 29.4450 178.4491 22 R 3.8955 7.8887 117.1414 57.6171 30.2410 177.6416 23 G 3.8935 9.2871 103.9053 45.4411 0.0000 171.6047 24 F 4.8606 7.5025 111.0022 56.4653 39.8578 172.8412 25 F 4.4818 9.1351 119.9273 55.6838 40.9003 174.7113 26 Y 4.8029 8.7500 125.9821 55.9640 39.9586 174.8945 27 T 4.3211 7.8584 117.4832 58.8985 70.8317 171.9177 28 P 4.0778 0.0000 0.0000 65.2656 32.0460 177.7033 29 K 4.3201 7.3889 119.2414 53.4357 31.6753 176.5056 30 T 3.8364 7.2542 118.9895 65.2169 69.3775 173.5947 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 F 8.17 4.81 0.00 3.13 2.89 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 2 V 7.62 3.85 2.06 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 0.93 0.00 0.00 1.00 0.00 0.00 3 N 9.01 4.44 0.00 3.07 3.18 0.00 0.00 6.31 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.19 4.06 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 5 Y 7.88 4.12 0.00 3.15 3.34 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 6 L 8.51 4.15 0.00 1.78 1.76 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.52 4.27 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 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 9 S 7.54 3.91 0.00 3.69 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 10 H 8.09 4.34 0.00 3.32 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.69 3.92 0.00 1.75 1.68 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.56 3.32 1.63 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 0.92 0.00 0.00 0.20 0.00 0.00 13 E 7.69 3.98 0.00 2.13 1.95 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 2.22 2.38 0.00 14 A 7.93 4.00 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 15 L 7.97 3.66 0.00 0.90 0.46 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.83 4.15 0.00 3.29 3.19 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 0.00 17 L 7.70 3.95 0.00 1.76 1.85 0.92 0.97 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 18 V 7.70 3.70 2.01 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 0.86 0.00 0.00 0.99 0.00 0.00 19 C 8.58 4.29 0.00 3.16 3.19 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 0.00 20 G 8.06 3.71 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 0.00 0.00 0.00 21 E 9.01 3.95 0.00 1.96 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 2.30 2.34 0.00 22 R 7.89 3.90 0.00 2.03 2.06 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 23 G 9.29 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 24 F 7.50 4.86 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.14 4.48 0.00 3.07 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 26 Y 8.75 4.80 0.00 3.22 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 27 T 7.86 4.32 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 1.28 0.00 0.00 28 P 0.00 4.08 0.00 2.19 2.22 0.00 3.65 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 29 K 7.39 4.32 0.00 1.86 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.43 7.81 30 T 7.25 3.84 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 1.19 0.00 0.00