NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3002 8.1631 117.3742 63.3672 68.7516 172.5182 2 G 3.7623 7.9271 115.1234 43.7013 0.0000 170.3653 3 A 4.5672 8.0255 122.5945 51.5135 21.6870 176.7644 4 G 4.3356 7.4750 112.1554 45.1267 0.0000 176.2530 5 T 3.6939 8.4021 119.5274 65.9190 69.1548 173.4053 6 P 4.3794 0.0000 0.0000 66.4425 31.0062 178.1930 7 S 4.3892 7.9911 112.2602 58.8373 62.4358 175.8652 8 Q 4.2670 9.0101 122.8422 57.4820 29.1870 178.4336 9 G 3.6403 7.8908 106.6250 48.6534 0.0000 175.3147 10 K 4.0177 8.0125 118.3054 58.1191 32.5493 178.3804 11 K 4.4544 7.5069 119.5640 56.7035 29.1274 176.2492 12 N 5.0593 7.7543 113.9467 52.6129 38.5028 175.2579 13 T 4.4718 7.9337 114.3055 63.3654 70.1434 174.1816 14 T 4.5755 8.2383 121.2955 62.2549 69.8710 173.1246 15 T 4.3367 7.5058 114.5783 63.1250 70.7079 172.9252 16 H 4.8002 8.2626 120.3805 55.3045 30.1335 174.6557 17 T 4.7081 9.5122 112.2511 59.5881 73.0466 171.8643 18 K 4.3298 8.9256 123.8442 56.7145 32.0526 175.0571 19 C 4.0088 9.7681 128.8450 59.5500 31.9427 174.7096 20 R 3.7661 8.4269 125.9804 59.0948 30.1367 177.4884 21 R 3.7445 7.5467 117.2747 58.0230 30.5146 176.1750 22 C 4.3711 7.8149 110.2479 60.5623 30.9803 174.4946 23 G 4.0802 7.4605 105.8620 44.6189 0.0000 173.0541 24 E 4.5722 8.0223 119.2271 53.8332 31.9828 175.9500 25 K 4.6577 8.1726 123.4903 56.8362 30.4388 176.9714 26 S 4.8934 7.9361 113.7645 58.5023 65.6496 174.6901 27 Y 4.5535 8.9105 124.0003 57.3730 38.9090 174.2958 28 H 4.5915 8.7735 128.9628 55.2338 28.8047 175.4005 29 T 3.4959 8.7201 117.5563 63.3379 67.2058 174.1004 30 K 4.2276 7.7236 118.8232 58.6891 33.1233 177.6337 31 K 4.1486 7.9661 115.3378 55.8274 32.5681 176.4187 32 K 2.9563 8.9008 118.4042 57.0851 30.1443 174.9317 33 V 4.7663 6.9538 116.4296 61.2651 35.5179 173.8089 34 C 5.0493 9.3973 129.2529 58.5746 31.5577 174.0996 35 S 4.1824 8.9465 122.9488 60.9565 62.4745 175.6049 36 S 4.5290 8.3927 114.4795 59.6945 63.0013 174.1122 37 C 4.5582 8.3494 113.1650 57.5835 31.2259 175.1900 38 G 4.0930 8.7067 109.0310 44.7983 0.0000 172.9775 39 F 4.5782 8.0458 122.1280 59.7134 39.8347 175.5658 40 G 3.7097 8.5459 114.5313 46.0812 0.0000 173.2750 41 K 4.3094 7.5972 117.0910 57.0562 34.0530 175.2686 42 S 4.7421 8.7277 113.3666 56.0661 64.4886 174.2333 43 A 4.2221 8.6858 129.4126 53.8833 18.5853 177.4701 44 K 4.4905 7.7334 115.1946 54.4596 33.8103 176.5769 45 R 4.1456 8.3314 120.9153 56.1301 30.4586 176.5569 46 R 3.8307 9.0676 126.4446 57.3787 30.3204 175.0936 47 D 4.7528 7.8305 123.7814 53.6340 44.5424 173.7568 48 Y 4.3385 8.8145 120.1672 56.1699 41.8715 176.3540 49 E 4.0824 8.5554 121.9244 58.0462 30.1458 177.6954 50 W 4.7428 7.2989 115.1659 56.7808 28.8058 177.1361 51 Q 4.6035 7.6297 117.2374 56.1997 27.8930 175.6628 52 S 4.6464 7.8539 110.0950 56.8915 66.1785 175.1328 53 K 3.9170 8.6341 121.4777 56.7241 32.6047 177.4595 54 A 4.0465 8.9299 124.7763 55.2695 18.2072 179.6541 55 G 4.2023 7.7844 102.5472 44.7668 0.0000 173.1703 56 E 4.1877 8.0139 125.7919 56.2453 29.8783 174.2267 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 T 8.16 4.30 4.24 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 1.21 0.00 0.00 2 G 7.93 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 3 A 8.03 4.57 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 4 G 7.47 4.34 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 0.00 5 T 8.40 3.69 4.24 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 1.21 0.00 0.00 6 P 0.00 4.38 0.00 2.20 2.35 0.00 3.64 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 2.17 2.04 0.00 7 S 7.99 4.39 0.00 4.16 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 8 Q 9.01 4.27 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 9 G 7.89 3.64 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 0.00 10 K 8.01 4.02 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 11 K 7.51 4.45 0.00 1.90 1.79 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.45 7.81 12 N 7.75 5.06 0.00 2.77 2.83 0.00 0.00 6.32 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 13 T 7.93 4.47 4.24 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 1.19 0.00 0.00 14 T 8.24 4.58 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 1.20 0.00 0.00 15 T 7.51 4.34 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 16 H 8.26 4.80 0.00 3.09 3.57 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.51 4.71 4.34 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 1.31 0.00 0.00 18 K 8.93 4.33 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 19 C 9.77 4.01 0.00 3.09 2.92 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 20 R 8.43 3.77 0.00 1.66 1.70 0.00 3.13 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 21 R 7.55 3.74 0.00 0.67 1.59 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.00 22 C 7.81 4.37 0.00 3.08 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 23 G 7.46 4.08 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 0.00 0.00 0.00 24 E 8.02 4.57 0.00 1.95 1.91 0.00 0.00 0.00 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 2.26 0.00 25 K 8.17 4.66 0.00 1.81 1.80 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 26 S 7.94 4.89 0.00 3.91 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 27 Y 8.91 4.55 0.00 3.04 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 28 H 8.77 4.59 0.00 3.15 3.01 0.00 5.85 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.72 3.50 4.18 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 0.00 0.00 0.00 1.12 0.00 0.00 30 K 7.72 4.23 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.29 7.81 31 K 7.97 4.15 0.00 1.64 1.78 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.23 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.31 1.41 7.81 32 K 8.90 2.96 0.00 1.83 1.81 0.00 1.61 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.44 7.81 33 V 6.95 4.77 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 34 C 9.40 5.05 0.00 3.39 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 35 S 8.95 4.18 0.00 4.03 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 36 S 8.39 4.53 0.00 3.92 3.99 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 0.00 0.00 0.00 37 C 8.35 4.56 0.00 3.15 3.18 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 0.00 0.00 0.00 0.00 38 G 8.71 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 0.00 0.00 0.00 0.00 39 F 8.05 4.58 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 40 G 8.55 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 41 K 7.60 4.31 0.00 1.73 1.99 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 42 S 8.73 4.74 0.00 3.79 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 43 A 8.69 4.22 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 44 K 7.73 4.49 0.00 1.73 1.70 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 45 R 8.33 4.15 0.00 1.65 1.86 0.00 3.39 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 46 R 9.07 3.83 0.00 1.83 1.94 0.00 3.43 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 47 D 7.83 4.75 0.00 2.52 2.21 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 48 Y 8.81 4.34 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 4.08 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 50 W 7.30 4.74 0.00 3.52 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.63 4.60 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.09 1.76 0.00 52 S 7.85 4.65 0.00 3.98 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 3.92 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.44 7.81 54 A 8.93 4.05 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 55 G 7.78 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 0.00 0.00 0.00 0.00 56 E 8.01 4.19 0.00 1.94 1.77 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 2.23 2.26 0.00