NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4853 8.0393 114.0034 61.7837 33.3345 173.7585 2 R 4.4758 8.5782 117.5077 54.9737 33.2316 171.8687 3 D 4.9745 8.5730 121.4126 52.8651 43.1072 176.9054 4 A 3.2570 6.8115 123.0721 50.8715 23.7529 174.4658 5 Y 4.9764 8.1998 116.8413 57.0517 38.5731 175.5668 6 I 4.0819 8.4927 124.8459 61.0682 39.2892 174.4511 7 A 5.1632 8.6380 131.1419 50.3849 20.9600 176.3752 8 K 4.5580 8.7220 118.7622 53.7306 35.3414 174.1870 9 P 4.3540 0.0000 0.0000 63.1199 31.7826 175.4795 10 H 4.5594 8.6128 121.9243 55.0414 31.0333 173.7361 11 N 4.1122 8.4801 127.2311 55.2587 37.1642 173.9262 12 C 4.9324 7.7159 113.6030 54.9928 44.0134 174.5558 13 V 4.3954 7.8236 114.8193 60.8977 33.0976 175.2731 14 Y 4.4118 8.0657 117.3860 57.0732 38.7975 175.7596 15 E 4.8060 8.8800 124.3176 56.8748 30.6301 175.0443 16 C 4.6774 8.7407 113.7130 54.7192 44.4918 173.7249 17 A 4.7966 8.4325 122.1362 51.8323 20.5118 176.7892 18 R 4.9538 7.5848 111.2649 53.8813 33.9925 175.7839 19 N 4.4905 8.7992 116.9678 56.4964 38.5935 177.3530 20 E 3.9871 8.3055 120.3737 59.2726 29.7530 178.0322 21 Y 4.0379 8.1114 119.2246 61.0334 38.8697 178.7775 22 C 4.2093 7.9729 117.1366 59.6735 41.3353 175.4548 23 N 4.3847 8.5287 119.1337 56.9244 38.5654 176.6179 24 D 4.2521 8.2131 120.3064 57.1974 40.8717 178.5455 25 L 3.6511 7.6008 120.6775 58.1490 42.0208 178.3424 26 C 4.2469 8.2934 116.9746 60.3530 41.3149 176.3883 27 T 4.0995 7.9462 112.6011 64.0437 68.1018 176.3976 28 K 3.9447 7.9155 121.6546 58.4333 32.1090 177.4432 29 N 4.8326 7.3671 113.7150 52.6997 39.0628 175.8869 30 G 3.8369 8.1525 109.1127 44.8994 0.0000 174.1670 31 A 4.6845 7.6266 121.6393 50.7383 19.4896 178.8218 32 K 4.0317 8.7776 121.4592 59.5229 32.9331 176.6145 33 S 4.6689 7.7878 112.1738 58.4564 66.0577 173.8375 34 G 4.5042 9.1086 106.6754 46.4014 0.0000 171.5429 35 Y 5.0254 8.3868 117.6060 55.9871 42.1989 172.9127 36 C 4.7881 9.3909 120.6909 55.5766 45.0527 173.1628 37 Q 4.4630 8.8300 126.5219 55.7054 29.2358 177.0165 38 W 4.4394 9.0223 121.2896 57.7859 31.1386 177.2584 39 V 4.5813 7.7768 109.2715 60.9577 32.7118 176.1849 40 G 3.9695 8.0606 110.4536 44.5778 0.0000 174.5975 41 K 3.7001 8.8644 119.2746 59.0865 32.0838 177.5113 42 Y 4.4479 7.5482 114.2515 57.3129 38.7122 177.6686 43 G 3.9052 8.0189 107.5916 45.6111 0.0000 173.7288 44 N 4.4925 8.9441 122.3422 52.7093 39.5994 175.5234 45 G 4.3867 8.0831 115.0317 46.2303 0.0000 170.8205 46 C 4.9594 8.6403 118.7898 56.4385 42.7006 172.7373 47 W 4.8076 8.7798 133.8093 55.6130 32.8474 173.5061 48 C 5.1813 8.4581 124.6669 55.2132 44.0130 172.7039 49 I 4.5938 8.6262 123.8709 60.0682 38.8156 175.9691 50 E 3.8240 9.2753 126.9918 57.2354 27.4557 174.6284 51 L 4.1707 7.8740 120.9567 53.9436 43.3674 174.3544 52 P 4.6288 0.0000 0.0000 62.6701 31.9069 177.1754 53 D 4.3503 8.6532 120.9617 57.2687 40.8614 177.2074 54 N 4.6737 7.9760 113.7359 52.9066 38.8587 174.5559 55 V 4.0197 7.3982 119.5970 60.9206 32.5654 174.0359 56 P 4.5380 0.0000 0.0000 62.8396 32.3945 175.1956 57 I 5.0053 7.9737 115.4098 58.5495 41.1358 174.6922 58 R 4.0265 8.5929 124.0403 56.2997 30.1148 176.0181 59 V 4.5228 8.5595 119.1203 58.1799 35.4006 173.5351 60 P 4.3037 0.0000 0.0000 63.4098 31.4514 176.3200 61 G 4.0561 8.3685 107.4630 43.2184 0.0000 172.8538 62 K 4.2699 8.1025 119.3592 55.7446 32.9864 177.2149 63 C 4.8564 8.2411 122.1725 55.6745 45.0398 173.1832 64 H 4.3145 8.1277 120.7376 56.3585 28.1597 173.5580 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 V 8.04 4.49 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 0.87 0.00 0.00 0.92 0.00 0.00 2 R 8.58 4.48 0.00 1.77 1.93 0.00 2.70 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 3 D 8.57 4.97 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.81 3.26 0.96 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 0.00 0.00 5 Y 8.20 4.98 0.00 2.80 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 6 I 8.49 4.08 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.89 0.00 0.00 7 A 8.64 5.16 1.15 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 0.00 0.00 8 K 8.72 4.56 0.00 1.55 0.89 0.00 0.83 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.91 1.05 7.81 9 P 0.00 4.35 0.00 2.03 2.03 0.00 3.57 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 10 H 8.61 4.56 0.00 3.14 3.10 0.00 6.02 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.48 4.11 0.00 2.44 2.73 0.00 0.00 7.03 7.65 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 12 C 7.72 4.93 0.00 2.95 2.76 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 13 V 7.82 4.40 2.20 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 0.39 0.00 0.00 0.93 0.00 0.00 14 Y 8.07 4.41 0.00 3.03 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 15 E 8.88 4.81 0.00 1.85 1.90 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 2.38 2.30 0.00 16 C 8.74 4.68 0.00 3.09 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 17 A 8.43 4.80 1.35 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 0.00 0.00 0.00 18 R 7.58 4.95 0.00 2.09 2.08 0.00 3.03 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 19 N 8.80 4.49 0.00 2.87 3.05 0.00 0.00 6.45 7.66 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 20 E 8.31 3.99 0.00 2.09 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 2.42 2.41 0.00 21 Y 8.11 4.04 0.00 3.04 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.21 0.00 2.98 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 23 N 8.53 4.38 0.00 2.97 2.94 0.00 0.00 7.20 8.29 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 24 D 8.21 4.25 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.65 0.00 1.24 1.43 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.29 4.25 0.00 3.11 3.09 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 27 T 7.95 4.10 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 1.23 0.00 0.00 28 K 7.92 3.94 0.00 1.79 2.02 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.42 7.81 29 N 7.37 4.83 0.00 2.81 2.72 0.00 0.00 7.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.15 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.63 4.68 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 32 K 8.78 4.03 0.00 1.78 2.01 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.40 7.81 33 S 7.79 4.67 0.00 4.04 3.95 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 0.00 0.00 0.00 34 G 9.11 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 5.03 0.00 3.35 3.10 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 36 C 9.39 4.79 0.00 3.26 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.83 4.46 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.36 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 38 W 9.02 4.44 0.00 3.34 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 4.58 2.14 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 0.84 0.00 0.00 1.01 0.00 0.00 40 G 8.06 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.86 3.70 0.00 1.66 1.75 0.00 1.70 0.00 0.00 1.39 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.35 1.15 7.81 42 Y 7.55 4.45 0.00 1.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.94 4.49 0.00 2.59 2.65 0.00 0.00 6.66 7.98 0.00 0.00 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 G 8.08 4.39 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 0.00 0.00 0.00 46 C 8.64 4.96 0.00 2.94 2.97 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 0.00 0.00 0.00 47 W 8.78 4.81 0.00 2.67 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 0.00 0.00 0.00 0.00 48 C 8.46 5.18 0.00 2.57 2.76 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 49 I 8.63 4.59 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.97 0.00 0.00 50 E 9.28 3.82 0.00 2.13 1.98 0.00 0.00 0.00 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 2.23 0.00 51 L 7.87 4.17 0.00 1.55 1.52 0.82 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.63 0.00 2.18 1.93 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 53 D 8.65 4.35 0.00 2.64 2.72 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 54 N 7.98 4.67 0.00 2.68 2.82 0.00 0.00 6.81 7.68 0.00 0.00 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 V 7.40 4.02 2.14 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 0.72 0.00 0.00 0.89 0.00 0.00 56 P 0.00 4.54 0.00 2.08 1.91 0.00 3.57 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 57 I 7.97 5.01 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.87 0.00 0.00 58 R 8.59 4.03 0.00 1.53 1.52 0.00 3.02 0.00 0.00 2.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 V 8.56 4.52 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 0.76 0.00 0.00 0.92 0.00 0.00 60 P 0.00 4.30 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 61 G 8.37 4.06 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 0.00 0.00 0.00 62 K 8.10 4.27 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 63 C 8.24 4.86 0.00 3.00 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 64 H 8.13 4.31 0.00 3.14 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00