NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 Q 4.1614 8.3331 119.1203 55.6913 29.7833 174.5986 1 G 3.8709 8.6941 103.5572 46.0889 0.0000 171.0639 2 R 4.8774 8.1225 117.3804 54.0536 34.0728 173.6222 3 Y 4.3744 9.5140 123.1987 57.7879 39.7743 174.5401 4 T 5.2158 7.5748 115.4183 60.2724 72.6002 172.5618 5 T 4.7786 8.3291 111.8711 59.5029 72.0231 174.7741 6 D 4.4618 8.9555 121.5028 55.5727 39.6132 176.6246 7 D 4.7524 8.2683 118.5205 53.1504 39.5611 177.0569 8 G 3.9395 8.1891 106.8221 45.7965 0.0000 173.3510 9 Y 4.1805 7.9659 121.8119 57.0381 40.0149 174.0444 10 I 4.7185 7.0060 125.5855 58.5214 40.6987 174.6353 11 F 4.3652 8.9913 132.4230 58.4826 40.1642 173.9362 12 N 4.4202 8.0701 122.8780 51.1699 41.5911 174.7813 13 A 3.3292 8.0417 128.9382 54.9879 18.5706 178.5545 14 S 2.0000 7.2039 107.2134 58.4976 63.0473 174.7218 15 D 4.4211 7.3531 120.8029 55.6005 41.0199 176.7404 16 I 4.1498 7.0847 121.4226 61.1860 37.3244 175.7954 17 I 4.4604 8.5602 118.3647 60.9177 39.1800 175.1787 18 E 4.6829 7.7461 120.3932 55.0981 32.2334 172.9141 19 D 5.3163 8.6124 123.6835 52.8161 43.0059 175.6236 20 T 4.1551 8.5827 117.0368 62.1116 69.5295 174.0693 21 G 4.1721 8.8959 110.9817 45.4863 0.0000 174.0755 22 D 4.8661 7.8716 115.3458 53.5255 43.0573 175.6081 23 A 4.4273 7.2389 119.0506 50.9085 22.6522 174.7356 24 Y 5.3041 8.3608 116.8387 56.3516 41.5540 174.9356 25 I 5.1091 8.7697 123.0274 59.8963 39.9288 175.2604 26 V 5.1135 8.6695 118.8826 58.9105 35.8994 173.3794 27 P 4.7713 0.0000 0.0000 62.9934 32.9917 175.4122 28 H 4.5827 9.0106 120.3854 56.2187 33.7641 173.2560 29 G 3.5021 8.1972 117.1175 47.2572 0.0000 173.2598 30 D 4.6727 8.6993 124.7334 53.0841 39.6364 175.5560 31 H 4.6427 7.6566 115.4122 55.3200 30.9753 171.2691 32 Y 5.1487 8.3251 114.6318 57.2631 42.1104 174.4334 33 H 5.0633 9.3552 119.2312 54.2876 32.1074 172.5160 34 Y 5.1137 8.7379 122.9756 56.2679 40.3580 174.7679 35 I 4.2038 8.3053 127.6122 58.4920 40.0650 173.4166 36 P 4.2511 0.0000 0.0000 62.1315 32.1087 178.3225 37 K 3.7663 8.5600 122.5728 59.2190 32.0570 178.4129 38 N 4.5968 7.9992 113.5327 53.8606 37.3624 175.0240 39 E 4.5976 8.0516 117.6030 56.2117 30.3062 175.5142 40 L 4.7116 7.3402 119.1871 52.9082 43.6694 177.1291 41 S 4.4524 8.9930 117.4784 57.4325 65.2888 175.3284 42 A 3.9844 8.4825 123.3617 55.7458 17.9216 180.0818 43 S 4.1126 8.0463 112.9008 61.7368 62.8583 176.6976 44 E 4.1397 8.3787 121.2990 59.4612 29.2115 179.3905 45 L 4.0598 8.3056 119.1536 57.6876 41.6105 179.4569 46 A 4.0100 8.3054 120.5927 55.1900 18.3157 179.5674 47 A 3.9695 8.4516 119.3854 55.1085 18.3375 179.7068 48 A 3.9137 8.4172 119.5875 55.3059 18.4195 179.5106 49 E 3.8915 8.3235 117.6151 59.3656 29.4426 178.7880 50 A 3.9940 8.2580 120.9779 55.0724 18.2116 179.3762 51 F 4.1371 8.1997 118.0198 61.6263 39.6260 177.1473 52 L 3.9015 8.0112 117.6143 57.5869 41.4836 179.3645 53 S 4.3287 8.2495 113.7083 60.5047 63.1356 175.0195 54 G 3.7883 7.4639 112.9538 44.7157 0.0000 173.2335 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 0 Q 8.33 4.16 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.61 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 1 G 8.69 3.87 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 0.00 0.00 0.00 2 R 8.12 4.88 0.00 1.78 1.87 0.00 3.21 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 3 Y 9.51 4.37 0.00 3.00 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 4 T 7.57 5.22 4.13 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 0.00 0.00 0.00 1.17 0.00 0.00 5 T 8.33 4.78 4.28 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 1.27 0.00 0.00 6 D 8.96 4.46 0.00 2.80 2.85 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 7 D 8.27 4.75 0.00 2.89 2.85 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 8 G 8.19 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 0.00 0.00 0.00 9 Y 7.97 4.18 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.01 4.72 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.01 0.70 0.00 0.00 11 F 8.99 4.37 0.00 3.29 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 12 N 8.07 4.42 0.00 2.44 2.56 0.00 0.00 6.79 8.53 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 13 A 8.04 3.33 1.20 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 14 S 7.20 2.00 0.00 3.53 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.35 4.42 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.08 4.15 1.92 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.37 1.00 0.00 0.00 17 I 8.56 4.46 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 1.04 0.00 0.00 18 E 7.75 4.68 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 19 D 8.61 5.32 0.00 2.89 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 20 T 8.58 4.16 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 1.29 0.00 0.00 21 G 8.90 4.17 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 0.00 0.00 0.00 22 D 7.87 4.87 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.24 4.43 0.32 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 24 Y 8.36 5.30 0.00 2.94 2.80 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 0.00 0.00 0.00 0.00 25 I 8.77 5.11 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 1.02 0.00 0.00 26 V 8.67 5.11 2.00 0.00 0.00 0.00 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 0.50 0.00 0.00 27 P 0.00 4.77 0.00 1.94 2.02 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 28 H 9.01 4.58 0.00 2.98 3.01 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.20 3.50 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 30 D 8.70 4.67 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.66 4.64 0.00 3.25 3.39 0.00 5.21 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.33 5.15 0.00 2.81 2.95 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 33 H 9.36 5.06 0.00 2.90 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.74 5.11 0.00 2.94 2.79 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 35 I 8.31 4.20 1.69 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.56 -0.13 0.00 0.00 36 P 0.00 4.25 0.00 2.25 1.92 0.00 3.51 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 37 K 8.56 3.77 0.00 1.67 1.71 0.00 0.90 0.00 0.00 1.29 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 0.87 7.81 38 N 8.00 4.60 0.00 2.79 2.89 0.00 0.00 5.89 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 39 E 8.05 4.60 0.00 2.09 2.23 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 2.31 2.27 0.00 40 L 7.34 4.71 0.00 1.65 1.36 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.99 4.45 0.00 4.03 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 42 A 8.48 3.98 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 43 S 8.05 4.11 0.00 3.91 3.96 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 44 E 8.38 4.14 0.00 2.17 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 0.00 2.59 2.43 0.00 45 L 8.31 4.06 0.00 1.83 1.77 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.31 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.45 3.97 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 48 A 8.42 3.91 1.25 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 0.00 0.00 0.00 49 E 8.32 3.89 0.00 2.19 2.16 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 2.34 2.40 0.00 50 A 8.26 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.20 4.14 0.00 2.94 3.27 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 0.00 52 L 8.01 3.90 0.00 1.71 1.70 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.25 4.33 0.00 4.01 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 54 G 7.46 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 0.00 0.00 0.00