NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3390 8.2649 123.5823 52.0759 19.8541 176.0890 2 V 3.7049 8.3163 108.7313 63.1181 31.8487 175.7964 3 C 5.1465 7.6490 116.4074 53.8969 38.7596 171.6840 4 P 4.5792 0.0000 0.0000 62.5247 31.7640 176.1283 5 T 4.2957 8.1779 110.9910 62.7676 70.4557 174.1377 6 G 4.1035 8.4352 107.3955 44.1046 0.0000 175.1454 7 L 3.7959 9.0398 124.5880 57.6612 42.3670 178.0122 8 F 4.9693 7.7412 115.9306 56.6448 38.2072 176.2547 9 S 4.9382 7.7066 112.2023 58.1644 64.2426 173.9374 10 N 4.9107 8.1403 120.9106 51.1818 39.7420 172.4225 11 P 5.1426 0.0000 0.0000 62.5641 32.3350 175.7894 12 L 4.9698 9.8212 123.2272 53.2639 46.6236 174.8484 13 C 5.2425 9.3942 120.3078 56.1188 39.8584 172.2591 14 C 5.8478 9.2993 121.2470 53.8716 43.4376 175.2974 15 A 3.9424 8.6805 123.5107 55.3067 18.4812 177.4534 16 T 4.1376 7.4442 107.0622 61.8789 71.2626 171.7142 17 N 5.2823 8.3563 123.2908 50.8056 39.8202 172.3651 18 V 3.6515 8.7011 123.9339 64.2577 32.0351 176.1294 19 L 3.7387 9.2583 125.1559 55.5059 39.1544 173.8233 20 D 4.5685 8.3865 115.0059 55.5309 39.3235 174.5815 21 L 4.6500 8.5043 117.2769 56.0876 45.5442 176.6385 22 I 4.7775 7.7348 120.4858 59.4564 39.3903 175.0024 23 G 4.0507 9.0324 116.0019 45.7991 0.0000 172.3759 24 V 4.4466 8.7229 125.4609 61.5164 34.2799 174.8052 25 D 4.6760 8.2285 124.3476 55.5789 38.0562 173.7342 26 C 5.1982 7.6697 116.2388 55.8815 41.0053 174.5054 27 K 4.8369 9.6081 124.5543 54.4867 34.5991 176.0874 28 T 4.3520 8.5345 121.0914 62.8634 69.1525 172.7478 29 P 4.5147 0.0000 0.0000 63.1989 31.9406 176.3575 30 T 4.5184 8.6040 111.0617 61.1776 69.1010 173.7621 31 I 4.5710 7.0004 113.5801 58.9972 40.7324 174.3555 32 A 4.0567 8.4020 124.2820 52.4672 18.7490 178.7938 33 V 4.2802 7.7975 116.6936 59.8267 31.2000 175.1903 34 D 4.4480 8.2255 122.8766 56.2125 41.7649 177.5506 35 T 4.7987 7.5056 108.2715 59.4915 72.7398 175.3828 36 G 3.6550 8.5310 108.3192 47.9650 0.0000 175.8313 37 A 4.0105 7.9885 122.7124 54.9154 18.4281 179.6778 38 I 3.6624 7.7329 117.9880 64.4014 37.2233 178.2482 39 F 4.4377 8.1717 121.4910 61.6239 39.2085 176.9571 40 Q 3.6634 8.6081 119.1060 59.0384 28.8072 178.0659 41 A 3.9479 8.3640 122.2688 55.2291 18.4834 179.0491 42 H 4.0945 8.8568 117.0787 59.8075 29.9257 176.9334 43 C 4.2916 8.3216 118.0649 59.8450 36.2357 175.9102 44 A 3.8647 8.1128 122.7219 55.1544 17.7483 179.8272 45 S 4.3763 7.9142 111.5741 60.9058 63.0779 175.9426 46 K 4.3053 7.3345 119.3102 55.9594 32.1705 177.4779 47 G 3.9044 8.3684 108.1211 45.4416 0.0000 173.1535 48 S 5.0309 7.9529 115.0220 56.2188 65.9182 173.1133 49 K 4.6925 8.9779 118.0001 54.2301 36.0132 173.8024 50 P 4.4293 0.0000 0.0000 61.9677 32.5263 174.8705 51 L 5.0644 9.1222 124.2326 52.9062 46.5156 174.7593 52 C 5.4811 9.4430 118.8769 55.7870 40.6652 172.7303 53 C 5.7394 9.7334 121.5584 54.9770 43.9973 174.8987 54 V 4.4756 8.6783 110.8312 61.4459 31.7486 176.6644 55 A 4.5688 7.5592 122.9680 50.6036 21.7378 175.1118 56 P 4.5652 0.0000 0.0000 63.1084 31.7675 176.5689 57 V 3.8264 7.2339 112.3852 61.0522 32.2470 175.7753 58 A 4.6291 8.3072 126.7196 51.3147 21.1604 177.8612 59 D 4.6228 8.2449 119.0414 55.1714 40.6807 174.9379 60 Q 4.4514 7.9710 117.7485 53.7809 29.9843 175.3528 61 A 4.4185 8.6942 124.6961 52.0115 19.1533 176.2405 62 L 4.5475 8.1793 119.8529 54.1737 44.7153 174.1527 63 L 4.6194 8.5339 121.9517 55.6609 42.8415 176.3171 64 C 5.8199 9.6586 123.1017 55.5534 43.0412 173.1889 65 Q 4.5255 8.9291 118.2366 53.5873 32.8954 174.8881 66 K 4.2952 8.4610 122.8329 56.2269 33.0006 176.3678 67 A 4.2273 8.1200 129.9793 51.4660 19.0676 177.3328 68 I 3.5557 8.6089 122.5129 62.4947 38.5466 177.5053 69 G 4.1149 8.7897 114.1269 46.4723 0.0000 174.1866 70 T 4.2497 7.5561 109.2282 61.1059 69.9944 174.7955 71 F 4.4245 8.5902 116.8048 57.4169 37.8560 174.0443 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 A 8.26 4.34 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.70 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 0.82 0.00 0.00 0.63 0.00 0.00 3 C 7.65 5.15 0.00 2.92 3.21 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 0.00 4 P 0.00 4.58 0.00 2.29 2.23 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.05 0.00 5 T 8.18 4.30 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 1.22 0.00 0.00 6 G 8.44 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.04 3.80 0.00 1.53 1.39 0.61 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.74 4.97 0.00 3.11 3.12 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 9 S 7.71 4.94 0.00 3.98 4.16 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 10 N 8.14 4.91 0.00 2.92 2.82 0.00 0.00 6.69 8.19 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 11 P 0.00 5.14 0.00 1.26 1.65 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 12 L 9.82 4.97 0.00 1.61 1.61 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.39 5.24 0.00 3.02 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 14 C 9.30 5.85 0.00 2.81 3.20 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 0.00 15 A 8.68 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.44 4.14 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 1.21 0.00 0.00 17 N 8.36 5.28 0.00 2.83 2.64 0.00 0.00 6.47 7.71 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 18 V 8.70 3.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 19 L 9.26 3.74 0.00 1.82 1.72 0.93 1.13 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 20 D 8.39 4.57 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 4.65 0.00 1.66 1.65 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.73 4.78 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 1.30 0.62 0.93 0.00 0.00 23 G 9.03 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.72 4.45 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 0.96 0.00 0.00 0.94 0.00 0.00 25 D 8.23 4.68 0.00 2.87 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 26 C 7.67 5.20 0.00 2.90 3.05 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 0.00 0.00 0.00 0.00 27 K 9.61 4.84 0.00 1.52 1.70 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.53 7.81 28 T 8.53 4.35 4.26 0.00 0.00 0.00 0.00 0.00 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 29 P 0.00 4.51 0.00 1.97 1.99 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.22 0.00 30 T 8.60 4.52 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 1.30 0.00 0.00 31 I 7.00 4.57 1.81 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 0.92 0.51 0.87 0.00 0.00 32 A 8.40 4.06 1.22 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 0.00 0.00 33 V 7.80 4.28 1.72 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 0.70 0.00 0.00 0.54 0.00 0.00 34 D 8.23 4.45 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.80 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 G 8.53 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.99 4.01 1.32 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 0.00 0.00 38 I 7.73 3.66 2.05 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 1.42 0.62 0.97 0.00 0.00 39 F 8.17 4.44 0.00 3.16 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 40 Q 8.61 3.66 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 41 A 8.36 3.95 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 42 H 8.86 4.09 0.00 3.30 3.64 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.32 4.29 0.00 2.89 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 44 A 8.11 3.86 1.34 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 0.00 0.00 45 S 7.91 4.38 0.00 4.04 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 46 K 7.33 4.31 0.00 2.01 1.85 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.50 7.81 47 G 8.37 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 S 7.95 5.03 0.00 4.02 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 49 K 8.98 4.69 0.00 1.57 1.59 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.46 7.81 50 P 0.00 4.43 0.00 0.49 0.79 0.00 3.38 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 51 L 9.12 5.06 0.00 1.59 1.70 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.44 5.48 0.00 2.86 3.39 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 53 C 9.73 5.74 0.00 2.87 3.23 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 54 V 8.68 4.48 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 0.37 0.00 0.00 0.91 0.00 0.00 55 A 7.56 4.57 1.21 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 0.00 0.00 0.00 56 P 0.00 4.57 0.00 2.19 2.35 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 57 V 7.23 3.83 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 0.67 0.00 0.00 0.94 0.00 0.00 58 A 8.31 4.63 1.31 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 0.00 0.00 59 D 8.24 4.62 0.00 2.81 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 60 Q 7.97 4.45 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 61 A 8.69 4.42 1.24 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 0.00 0.00 0.00 62 L 8.18 4.55 0.00 1.71 1.76 0.98 0.30 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 63 L 8.53 4.62 0.00 1.86 1.66 1.08 0.83 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 64 C 9.66 5.82 0.00 3.01 2.96 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 0.00 0.00 0.00 65 Q 8.93 4.53 0.00 1.44 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 66 K 8.46 4.30 0.00 1.71 1.65 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.39 7.81 67 A 8.12 4.23 1.32 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 0.00 0.00 68 I 8.61 3.56 1.89 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 1.36 1.22 0.94 0.00 0.00 69 G 8.79 4.11 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 0.00 0.00 0.00 70 T 7.56 4.25 4.05 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 0.00 0.00 0.00 1.11 0.00 0.00 71 F 8.59 4.42 0.00 2.99 3.01 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