NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4471 8.3049 120.3483 55.6167 32.3342 173.4880 2 L 4.3574 8.2545 123.4276 54.3732 44.1179 176.6827 3 K 4.3310 8.2817 128.1250 55.8085 33.8742 175.0515 4 N 4.5078 8.3414 125.6380 52.2939 36.2961 172.7522 5 L 3.5209 7.4501 120.7576 51.6787 42.8158 173.9805 6 A 3.8084 7.8299 119.8373 53.0878 15.9007 176.5845 7 K 4.6199 7.3904 118.8469 55.1156 32.9581 177.7622 8 L 4.0562 7.8539 117.5387 56.2341 41.9970 178.3282 9 D 4.9152 7.6523 118.3750 54.6514 41.8953 177.4232 10 Q 4.4465 7.9271 116.0655 56.5345 28.9771 176.8328 11 T 4.8831 7.4823 119.4461 64.9120 68.6628 176.3817 12 E 3.9706 8.0611 121.0209 59.1722 29.3541 178.8115 13 M 4.0637 7.7256 116.8520 58.1162 31.5914 177.8502 14 D 4.3110 7.8653 120.0709 57.2024 41.0409 178.8798 15 K 2.9590 8.1093 118.6711 59.6565 31.9575 179.7841 16 V 3.8800 7.8243 112.2314 64.4128 31.4364 178.3904 17 N 4.3717 8.4528 116.4660 56.6240 38.4396 177.7371 18 V 3.9461 8.3448 119.7240 65.7501 31.5771 177.6980 19 D 4.2549 9.3409 118.5473 57.2166 41.2047 177.7638 20 L 3.9450 8.3762 120.9617 58.1407 42.1050 178.7551 21 A 4.0335 8.2223 120.2475 55.3714 18.4790 179.6008 22 A 3.2496 8.2772 119.1236 54.4762 18.2635 179.8503 23 A 3.5937 7.9525 119.9581 55.0988 18.5336 180.1255 24 G 3.5637 8.1031 104.3558 47.7811 0.0000 176.2050 25 V 3.5590 8.2727 120.8963 65.6212 31.6743 177.5687 26 A 3.8757 7.6083 120.5289 55.6550 18.0694 179.7732 27 F 4.8197 7.6666 115.5957 60.6975 38.9736 177.2716 28 K 3.8735 8.7623 119.6479 60.2792 31.3902 178.3001 29 E 4.7275 8.6384 118.4639 59.4637 29.6196 179.4993 30 R 3.6364 7.9168 118.9506 58.0104 30.2112 178.0303 31 Y 4.3533 8.2696 116.5653 59.7404 38.2933 177.0955 32 N 4.7680 7.4044 111.4455 53.3065 40.2260 173.8551 33 M 4.2736 8.0726 116.3949 54.5409 35.4778 172.7786 34 P 4.8511 0.0000 0.0000 63.1498 28.8095 176.1906 35 V 3.9288 7.6272 125.0837 62.3981 32.8839 178.3344 36 I 4.2182 7.9456 122.8564 59.3123 35.6920 175.8885 37 A 4.1699 8.3352 126.2997 55.4469 18.4171 178.7729 38 E 3.8666 8.3264 115.9407 59.7425 29.3428 179.3030 39 A 4.0997 7.7279 118.6623 54.6039 19.2298 179.3221 40 V 3.8139 7.9838 117.1399 65.9783 31.5391 177.8050 41 E 3.1645 8.2870 119.6183 59.0466 29.1529 178.8918 42 R 3.8866 7.6125 117.1109 59.0149 30.2360 177.9899 43 E 4.3075 7.7080 115.2565 55.6828 30.3029 176.0439 44 Q 4.7009 6.8295 116.9728 53.0286 31.0499 173.8767 45 P 4.2551 0.0000 0.0000 62.8593 32.0520 177.2515 46 E 3.9310 8.8441 123.2683 59.0987 29.8899 178.1181 47 H 4.2513 8.3293 117.5506 58.4220 29.8662 175.3266 48 L 4.7949 7.9427 118.8015 54.5079 42.2967 178.7135 49 R 4.3050 8.6006 121.0441 59.8444 30.0389 178.0724 50 S 4.1681 8.1657 112.4488 61.1237 62.4092 175.7598 51 W 4.1646 8.2585 130.6951 60.2555 30.4919 177.2739 52 F 3.9723 9.6552 121.7750 61.5554 38.7939 177.0789 53 R 3.9899 8.3829 117.3817 59.7462 30.0099 179.0414 54 E 4.0628 8.5981 118.1880 59.2516 29.3656 179.7643 55 R 3.5459 8.1171 118.7449 58.9380 30.0703 178.8799 56 L 3.7897 7.7261 118.9699 57.6271 41.4625 179.5663 57 I 3.5679 8.0091 119.7660 64.5014 37.1118 178.3651 58 A 3.9145 7.8424 121.3433 55.4771 18.1974 179.3282 59 H 4.4434 8.0902 114.5217 58.5375 28.6730 177.9679 60 R 4.0708 8.4014 121.3480 59.1960 29.6781 178.3839 61 L 4.0419 7.9664 117.7265 56.9451 41.8920 178.8848 62 A 4.4153 8.0331 121.4233 55.1310 17.9020 179.5641 63 S 4.0094 8.6710 112.1459 60.9649 62.1105 176.3506 64 V 3.6460 7.6841 121.7436 65.5975 30.8042 177.0672 65 N 4.1657 7.8854 115.9085 52.9883 39.2993 178.3166 66 L 3.3276 7.0112 119.5031 54.1166 42.4536 174.1890 67 S 4.1321 8.4312 110.7035 60.1465 62.5306 174.0967 68 R 4.1886 8.6673 125.4067 55.9482 28.0085 177.1090 69 L 4.4680 7.3546 123.4742 52.4551 43.8568 174.5216 70 P 4.2197 0.0000 0.0000 62.1104 31.6170 171.4867 71 Y 3.8204 8.4541 129.2028 57.7952 37.1687 170.0245 72 E 4.7483 8.4186 124.2284 54.4700 30.5767 173.0413 73 P 4.7340 0.0000 0.0000 62.6454 32.1519 177.0328 74 K 4.6802 7.7143 116.9310 55.3029 35.0607 175.5954 75 L 4.2753 8.2288 120.5877 55.5256 41.3396 177.1117 76 K 4.1696 8.2819 118.3942 57.2160 32.7201 175.9780 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 8.30 4.45 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 L 8.25 4.36 0.00 1.70 1.60 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.28 4.33 0.00 1.63 1.67 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.51 7.81 4 N 8.34 4.51 0.00 2.75 2.76 0.00 0.00 7.12 7.85 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 5 L 7.45 3.52 0.00 1.74 1.61 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.83 3.81 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.39 4.62 0.00 1.63 1.68 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.36 7.81 8 L 7.85 4.06 0.00 1.63 1.61 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.65 4.92 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.45 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 11 T 7.48 4.88 4.09 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 0.94 0.00 0.00 12 E 8.06 3.97 0.00 1.93 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 2.35 2.28 0.00 13 M 7.73 4.06 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 14 D 7.87 4.31 0.00 2.68 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 15 K 8.11 2.96 0.00 1.67 1.24 0.00 1.41 0.00 0.00 1.12 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.24 7.81 16 V 7.82 3.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 17 N 8.45 4.37 0.00 3.03 2.92 0.00 0.00 6.97 8.21 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 18 V 8.34 3.95 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 1.11 0.00 0.00 19 D 9.34 4.25 0.00 3.32 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 3.94 0.00 1.93 1.92 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.22 4.03 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.28 3.25 0.69 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 0.00 0.00 23 A 7.95 3.59 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 24 G 8.10 3.56 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 0.00 25 V 8.27 3.56 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 1.18 0.00 0.00 1.18 0.00 0.00 26 A 7.61 3.88 1.02 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 0.00 0.00 27 F 7.67 4.82 0.00 3.16 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 28 K 8.76 3.87 0.00 2.09 2.01 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.59 7.81 29 E 8.64 4.73 0.00 2.25 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 2.59 2.32 0.00 30 R 7.92 3.64 0.00 1.88 1.86 0.00 3.25 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 31 Y 8.27 4.35 0.00 3.43 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 32 N 7.40 4.77 0.00 2.78 2.93 0.00 0.00 7.07 7.61 0.00 0.00 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 M 8.07 4.27 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 34 P 0.00 4.85 0.00 2.23 2.10 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 35 V 7.63 3.93 2.13 0.00 0.00 0.00 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 0.98 0.00 0.00 36 I 7.95 4.22 1.89 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 1.58 0.57 0.97 0.00 0.00 37 A 8.34 4.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.87 0.00 2.02 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 0.00 2.41 2.41 0.00 39 A 7.73 4.10 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 40 V 7.98 3.81 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 1.16 0.00 0.00 1.13 0.00 0.00 41 E 8.29 3.16 0.00 1.61 1.92 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 2.14 2.09 0.00 42 R 7.61 3.89 0.00 1.91 1.95 0.00 3.19 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 43 E 7.71 4.31 0.00 2.06 1.99 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 0.00 2.29 2.59 0.00 44 Q 6.83 4.70 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.69 0.00 0.00 0.00 0.00 0.00 1.67 2.20 0.00 45 P 0.00 4.26 0.00 2.19 2.02 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 46 E 8.84 3.93 0.00 1.98 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 2.37 2.30 0.00 47 H 8.33 4.25 0.00 3.10 3.26 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.94 4.79 0.00 1.78 1.90 0.12 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.60 4.31 0.00 1.95 1.96 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 50 S 8.17 4.17 0.00 3.99 3.94 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 0.00 0.00 0.00 51 W 8.26 4.16 0.00 3.55 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 52 F 9.66 3.97 0.00 3.23 3.32 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 53 R 8.38 3.99 0.00 2.16 2.02 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 54 E 8.60 4.06 0.00 1.96 1.88 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 2.32 2.66 0.00 55 R 8.12 3.55 0.00 1.53 1.57 0.00 2.53 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 0.00 56 L 7.73 3.79 0.00 1.80 1.62 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.01 3.57 1.94 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 1.61 0.82 0.86 0.00 0.00 58 A 7.84 3.91 1.12 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 0.00 0.00 59 H 8.09 4.44 0.00 2.93 2.72 0.00 5.62 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 60 R 8.40 4.07 0.00 1.90 2.07 0.00 3.23 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 61 L 7.97 4.04 0.00 1.90 1.74 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.03 4.42 1.85 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 0.00 0.00 63 S 8.67 4.01 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 65 N 7.89 4.17 0.00 2.34 2.67 0.00 0.00 7.13 7.80 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 66 L 7.01 3.33 0.00 1.76 1.47 0.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.43 4.13 0.00 3.88 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 68 R 8.67 4.19 0.00 2.01 2.07 0.00 3.19 0.00 0.00 3.21 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 69 L 7.35 4.47 0.00 1.52 1.55 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.22 0.00 2.45 2.22 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 71 Y 8.45 3.82 0.00 3.19 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 72 E 8.42 4.75 0.00 1.91 1.84 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 2.24 2.29 0.00 73 P 0.00 4.73 0.00 2.20 2.18 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 74 K 7.71 4.68 0.00 1.84 1.82 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.46 7.81 75 L 8.23 4.28 0.00 1.76 1.72 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.28 4.17 0.00 1.82 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.40 7.81