NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7137 8.1633 120.2899 54.8024 34.1919 174.9667 2 I 4.5523 7.4184 116.7270 57.9731 41.3696 169.4388 3 V 2.9384 8.5812 122.6240 62.4755 32.0238 173.9227 4 P 4.2491 0.0000 0.0000 62.6648 32.0136 176.6494 5 V 3.6619 8.6209 122.4749 65.6211 31.5766 175.9421 6 R 4.9432 7.3970 115.0402 53.7853 33.4143 174.7061 7 C 3.9702 8.2300 119.8096 58.8488 32.0961 174.0478 8 F 4.4528 8.2567 126.4227 61.2746 38.8004 177.2216 9 S 4.3220 8.3786 114.6364 61.3821 62.7793 174.9596 10 C 4.4631 8.1925 111.6979 57.5708 30.8720 174.7947 11 G 3.8904 8.5187 108.8165 44.4869 0.0000 173.5570 12 K 3.6679 7.8869 121.1318 56.6584 32.4045 175.4874 13 V 4.1535 8.4789 126.3941 63.8187 31.5428 175.6382 14 V 4.3064 8.5248 125.0778 60.7877 33.6518 176.8935 15 G 3.8956 8.3756 108.2907 46.0584 0.0000 173.7805 16 D 5.1141 8.0498 117.5741 52.6722 40.1847 176.0846 17 K 4.6631 8.0635 114.9802 55.8790 34.6762 178.0278 18 W 4.3179 8.4912 130.2507 60.8962 30.7795 177.7538 19 E 3.8437 8.3645 118.0097 59.5177 28.8345 179.5334 20 S 4.0970 7.9860 114.7250 61.5608 63.1334 175.7921 21 Y 4.0684 7.9443 122.2306 60.6139 38.5291 178.1106 22 L 3.6029 7.4949 119.6884 57.8206 41.8051 179.3483 23 N 4.2353 7.9949 116.1592 56.2670 38.5254 177.3708 24 L 4.0117 8.1781 120.2569 56.8068 41.5891 179.0879 25 L 4.1696 6.9177 117.5751 57.1182 42.4137 178.2985 26 Q 3.9122 7.8422 119.4775 59.0828 28.8744 177.8267 27 E 3.9542 7.8967 118.9629 59.1616 29.7683 177.8322 28 D 4.5992 7.8820 115.1299 53.4994 41.5070 175.9877 29 E 4.4640 7.1993 116.4677 55.9428 27.7617 174.9416 30 L 4.4342 7.4895 116.6353 53.7629 43.2800 177.3297 31 D 4.6620 8.1904 120.2881 52.6130 41.8757 176.9154 32 E 4.1262 8.8536 121.0135 59.9827 29.6394 179.9041 33 G 3.7552 8.1624 104.5317 48.5434 0.0000 175.6079 34 T 3.9583 8.0769 116.9951 65.7376 68.6389 176.5901 35 A 4.1367 8.2775 123.2493 55.2710 18.5661 179.4449 36 L 4.0075 8.4391 117.6909 58.3942 41.2346 180.2031 37 S 4.2151 8.1396 114.5364 61.1381 62.5423 175.8748 38 R 4.2900 7.8309 119.1437 57.1352 30.0130 176.4015 39 L 4.4258 7.6177 117.2212 55.0607 41.6953 177.5732 40 G 3.8618 7.8046 105.6439 45.5650 0.0000 174.8442 41 L 4.3132 7.5695 120.0408 53.5717 40.5308 175.9111 42 K 4.2688 8.3112 122.7264 58.0176 34.0657 178.1294 43 R 4.0162 7.7291 117.3534 55.0649 30.2596 176.6495 44 Y 4.2450 8.6214 122.1261 60.3289 37.2706 178.7258 45 C 4.2297 7.5228 115.3216 61.5748 29.6936 175.1851 46 C 4.2258 8.3669 119.6741 62.1536 27.7674 176.1185 47 R 3.9326 7.9621 119.5065 59.3557 29.7859 179.0353 48 R 3.9553 8.0720 115.7624 59.3741 29.0434 178.1251 49 M 3.8518 7.3545 117.0406 58.6603 32.5239 177.9283 50 I 4.0292 7.4652 118.5807 63.9302 37.5815 177.8238 51 L 4.0258 7.6574 119.5902 57.7354 41.8940 178.0881 52 T 4.4760 7.6860 112.9224 62.7010 69.5824 174.3542 53 H 4.2014 7.3074 120.4297 56.1524 30.4050 174.9364 54 V 4.0727 7.1713 122.1734 61.1305 33.2327 175.4429 55 D 4.6124 8.0897 129.4669 53.3923 39.5171 176.4443 56 L 3.8609 7.5540 122.9096 56.3841 41.9771 178.1166 57 I 3.9052 7.4220 118.7854 63.9257 37.5534 177.4462 58 E 4.0745 7.4572 117.4584 59.6425 29.8102 179.3543 59 K 4.0472 7.7494 117.6203 59.1066 32.1243 179.4185 60 F 4.8383 7.8440 118.2908 60.8836 38.7310 177.5671 61 L 4.1842 8.7180 118.0678 57.7032 41.4638 179.0755 62 R 4.1400 7.5180 115.0427 56.3548 30.1830 175.8809 63 Y 4.6523 7.2912 116.9596 56.7160 39.8018 174.9500 64 N 4.6466 8.8060 119.8649 54.7084 40.0109 173.2169 65 P 4.4685 0.0000 0.0000 62.8586 31.7099 175.6049 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 4.71 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.80 0.00 2 I 7.42 4.55 1.81 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 1.28 0.71 0.78 0.00 0.00 3 V 8.58 2.94 1.94 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 0.65 0.00 0.00 0.60 0.00 0.00 4 P 0.00 4.25 0.00 1.72 1.81 0.00 3.50 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.07 0.00 5 V 8.62 3.66 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 1.05 0.00 0.00 0.92 0.00 0.00 6 R 7.40 4.94 0.00 1.76 1.80 0.00 3.62 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 7 C 8.23 3.97 0.00 2.87 2.71 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 8 F 8.26 4.45 0.00 3.10 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 9 S 8.38 4.32 0.00 3.87 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 10 C 8.19 4.46 0.00 3.03 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 11 G 8.52 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 12 K 7.89 3.67 0.00 1.72 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.37 7.81 13 V 8.48 4.15 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 0.90 0.00 0.00 0.92 0.00 0.00 14 V 8.52 4.31 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 0.62 0.00 0.00 0.87 0.00 0.00 15 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 16 D 8.05 5.11 0.00 2.79 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 17 K 8.06 4.66 0.00 1.82 1.81 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.44 1.57 7.81 18 W 8.49 4.32 0.00 3.39 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 19 E 8.36 3.84 0.00 2.09 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 2.46 2.56 0.00 20 S 7.99 4.10 0.00 4.03 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 21 Y 7.94 4.07 0.00 3.07 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 22 L 7.49 3.60 0.00 1.59 1.44 -0.47 0.32 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 23 N 7.99 4.24 0.00 2.79 2.79 0.00 0.00 7.10 6.22 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 24 L 8.18 4.01 0.00 1.70 1.63 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 L 6.92 4.17 0.00 1.65 1.46 0.25 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.84 3.91 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 27 E 7.90 3.95 0.00 2.09 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 2.27 2.28 0.00 28 D 7.88 4.60 0.00 2.80 2.66 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 29 E 7.20 4.46 0.00 2.15 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 2.26 2.26 0.00 30 L 7.49 4.43 0.00 1.82 1.55 0.90 1.04 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 31 D 8.19 4.66 0.00 2.87 2.77 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 32 E 8.85 4.13 0.00 2.15 2.25 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 2.52 2.54 0.00 33 G 8.16 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 0.00 0.00 0.00 34 T 8.08 3.96 4.35 0.00 0.00 0.00 0.00 0.00 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 35 A 8.28 4.14 1.44 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 0.00 0.00 0.00 36 L 8.44 4.01 0.00 1.73 1.75 0.96 0.66 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 37 S 8.14 4.22 0.00 4.07 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 38 R 7.83 4.29 0.00 1.98 1.95 0.00 3.25 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 L 7.62 4.43 0.00 1.89 1.68 1.07 0.90 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 40 G 7.80 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 0.00 0.00 0.00 41 L 7.57 4.31 0.00 1.79 1.63 0.91 0.85 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 42 K 8.31 4.27 0.00 1.85 1.92 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.37 7.81 43 R 7.73 4.02 0.00 1.69 1.94 0.00 2.87 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 44 Y 8.62 4.25 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 45 C 7.52 4.23 0.00 3.14 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 46 C 8.37 4.23 0.00 3.03 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 47 R 7.96 3.93 0.00 1.90 2.01 0.00 3.36 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 48 R 8.07 3.96 0.00 2.15 2.34 0.00 2.91 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 49 M 7.35 3.85 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 50 I 7.47 4.03 1.58 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.43 0.00 0.00 51 L 7.66 4.03 0.00 1.61 1.84 1.03 0.85 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 52 T 7.69 4.48 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 1.26 0.00 0.00 53 H 7.31 4.20 0.00 3.18 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.17 4.07 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 0.80 0.00 0.00 0.95 0.00 0.00 55 D 8.09 4.61 0.00 2.69 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 56 L 7.55 3.86 0.00 1.44 0.74 0.93 0.57 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 57 I 7.42 3.91 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 1.01 0.00 0.00 58 E 7.46 4.07 0.00 1.99 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 2.62 2.58 0.00 59 K 7.75 4.05 0.00 1.65 1.75 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 60 F 7.84 4.84 0.00 3.33 3.07 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 0.00 0.00 0.00 0.00 61 L 8.72 4.18 0.00 1.76 1.81 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.52 4.14 0.00 1.73 1.78 0.00 3.09 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 63 Y 7.29 4.65 0.00 3.14 2.88 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 0.00 0.00 0.00 64 N 8.81 4.65 0.00 2.71 2.88 0.00 0.00 7.03 7.69 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 65 P 0.00 4.47 0.00 2.21 2.02 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00