NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.4247 8.1933 115.2882 58.5017 64.8923 175.5337 15 H 4.3787 7.7985 116.2279 57.1772 29.2018 176.3987 16 T 3.9928 8.3314 113.0506 64.2875 69.3275 176.3783 17 A 3.9514 7.9787 123.3524 55.0124 18.5647 179.0491 18 F 3.9849 8.6438 119.3719 61.4242 39.4252 177.0266 19 A 3.9397 8.5407 120.3779 55.1137 18.1654 179.3193 20 A 3.8833 8.1070 119.2007 55.4304 18.3930 180.1269 21 K 3.8443 7.8447 116.4789 59.2874 32.1127 179.5028 22 A 3.7796 7.9125 121.5800 54.9531 18.1258 179.9208 23 G 3.4883 8.0318 104.2614 47.8653 0.0000 175.7023 24 L 3.9400 7.8661 123.0250 57.8752 42.1001 178.6687 25 M 3.9849 8.1903 118.3602 58.7433 32.0531 178.4533 26 R 3.9072 8.0788 118.1948 59.4097 30.2527 178.4768 27 H 4.1171 8.4232 118.1555 59.7713 29.8454 177.5076 28 T 3.8459 8.3416 117.8426 66.4889 68.2089 176.8192 29 I 3.7904 7.9665 122.0487 64.3056 37.1275 178.7015 30 G 3.5903 7.8184 106.6159 47.7953 0.0000 175.8466 31 Q 3.9001 8.1024 120.2132 58.5970 28.7383 178.4859 32 A 3.9460 8.2633 122.2125 55.1194 18.4028 179.1814 33 E 3.8490 8.1825 117.5693 59.6666 29.7759 179.1075 34 Q 3.9812 8.0045 117.9473 58.9481 28.6939 178.4965 35 Q 3.9290 8.3535 120.6000 59.3055 29.0928 178.4465 36 A 3.9904 8.1797 121.7006 55.2830 18.4243 179.5606 37 M 4.0187 8.1495 117.3116 58.5955 32.0332 178.9295 38 S 4.0916 8.2185 113.0662 61.2698 62.4864 176.0366 39 A 3.9567 8.2663 123.7612 55.0875 18.0220 179.4204 40 Q 3.9140 8.2262 117.8275 59.2839 29.2016 178.2096 41 A 3.9853 7.9417 121.7406 55.1746 18.3472 179.4050 42 F 4.0852 8.4045 119.0930 61.8213 39.4455 177.0910 43 H 4.1353 8.6102 116.2423 58.9133 28.4581 177.8598 44 Q 4.0431 8.4945 120.3441 58.8685 28.4693 179.0602 45 G 3.5064 8.0071 106.7690 47.6136 0.0000 175.3973 46 E 3.6851 8.0493 122.1642 58.9163 29.6400 178.8081 47 S 4.0288 8.1248 113.0521 61.3224 62.3744 176.0249 48 A 4.0015 8.0029 123.2100 55.0956 18.1621 179.4258 49 A 3.9189 8.2485 119.3077 55.2544 18.4663 179.7282 50 A 3.9386 8.2030 119.3801 55.1981 18.4543 179.6736 51 F 3.9091 8.3139 119.1489 61.4243 39.4363 177.0148 52 Q 4.1271 8.5583 119.5680 59.1740 28.8351 178.6558 53 G 3.5209 8.1610 106.3700 47.8175 0.0000 175.5881 54 A 3.9652 7.8852 123.7700 54.8841 18.2797 179.1353 55 H 3.9214 8.3997 116.8468 59.3332 29.8604 177.3193 56 A 3.9230 8.1662 122.6990 55.2382 18.1977 179.8698 57 R 3.8614 8.0828 116.6078 59.1652 30.0783 179.0415 58 F 4.0062 8.5555 120.8724 61.2826 39.4233 177.2613 59 V 3.5581 8.1712 117.8264 66.0191 31.3081 177.8216 60 A 3.9180 7.9677 120.2063 55.0872 18.1215 179.5356 61 A 3.8410 8.0027 119.0895 55.0711 18.3422 179.6910 62 A 3.6494 8.0017 119.5370 55.1290 18.2987 179.7410 63 A 3.8605 8.0342 119.3263 54.9759 18.3709 179.7008 64 K 3.7839 7.9977 118.1540 59.5867 32.1934 179.0303 65 V 3.5170 7.8749 118.5869 66.2153 31.3734 177.5983 66 N 4.2807 8.3118 116.3033 56.6343 38.3885 177.4041 67 T 3.8369 8.1707 117.2972 66.8258 68.5529 176.6777 68 L 4.0225 8.0969 120.8217 57.6742 41.5086 179.5995 69 L 3.9772 8.2665 119.3820 57.6987 41.4520 179.0991 70 D 4.3522 8.3095 119.0569 57.5403 40.7379 178.9272 71 I 3.6536 7.8171 119.7673 64.4216 37.0532 178.3890 72 A 3.9716 8.1491 121.4998 55.2289 18.1391 179.7042 73 Q 3.8959 8.3655 116.5472 59.0481 28.5849 178.8698 74 A 3.9768 7.9709 120.6792 55.1950 18.4820 179.2535 75 N 4.4292 8.1702 114.0071 56.6489 39.0448 177.5657 76 L 4.1384 8.3802 120.6742 54.1814 42.0638 179.7210 77 G 3.8109 8.9875 106.6165 46.3981 0.0000 176.9036 78 E 3.9286 9.1592 125.2072 58.5020 29.5120 177.0904 79 A 4.0827 7.9492 120.2944 53.8171 18.6962 177.1043 80 A 4.1725 7.6594 123.1389 52.3494 18.3962 177.2606 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 14 S 8.19 4.42 0.00 3.79 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 4.38 0.00 3.27 3.34 0.00 5.68 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 16 T 8.33 3.99 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 1.25 0.00 0.00 17 A 7.98 3.95 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 0.00 0.00 18 F 8.64 3.98 0.00 3.16 3.25 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 19 A 8.54 3.94 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 20 A 8.11 3.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 3.84 0.00 1.75 1.73 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.53 7.81 22 A 7.91 3.78 0.73 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 0.00 0.00 23 G 8.03 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 3.94 0.00 1.84 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.19 3.98 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 26 R 8.08 3.91 0.00 2.03 1.96 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 27 H 8.42 4.12 0.00 3.22 3.51 0.00 5.78 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 28 T 8.34 3.85 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 29 I 7.97 3.79 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.08 0.90 0.00 0.00 30 G 7.82 3.59 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 0.00 0.00 0.00 31 Q 8.10 3.90 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 32 A 8.26 3.95 1.36 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 0.00 0.00 33 E 8.18 3.85 0.00 2.15 2.10 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 2.30 2.35 0.00 34 Q 8.00 3.98 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 35 Q 8.35 3.93 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 36 A 8.18 3.99 1.37 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 0.00 0.00 37 M 8.15 4.02 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 38 S 8.22 4.09 0.00 3.90 4.04 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 39 A 8.27 3.96 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 40 Q 8.23 3.91 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 41 A 7.94 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 4.09 0.00 3.14 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 43 H 8.61 4.14 0.00 3.36 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.49 4.04 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 45 G 8.01 3.51 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 0.00 0.00 0.00 46 E 8.05 3.69 0.00 1.24 1.79 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 2.20 2.17 0.00 47 S 8.12 4.03 0.00 3.88 3.98 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 0.00 0.00 0.00 48 A 8.00 4.00 1.36 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 0.00 0.00 49 A 8.25 3.92 1.37 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 0.00 0.00 50 A 8.20 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.91 0.00 3.17 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 52 Q 8.56 4.13 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 53 G 8.16 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 3.97 1.19 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 0.00 0.00 55 H 8.40 3.92 0.00 2.29 3.24 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.17 3.92 1.37 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 0.00 0.00 57 R 8.08 3.86 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 58 F 8.56 4.01 0.00 3.16 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 59 V 8.17 3.56 2.05 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 0.94 0.00 0.00 0.96 0.00 0.00 60 A 7.97 3.92 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 61 A 8.00 3.84 1.23 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 0.00 0.00 62 A 8.00 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.03 3.86 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 64 K 8.00 3.78 0.00 1.94 1.96 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 65 V 7.87 3.52 2.11 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 1.03 0.00 0.00 0.90 0.00 0.00 66 N 8.31 4.28 0.00 2.81 2.84 0.00 0.00 7.11 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.17 3.84 4.38 0.00 0.00 0.00 0.00 0.00 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 68 L 8.10 4.02 0.00 1.80 1.70 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.27 3.98 0.00 1.82 1.70 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.31 4.35 0.00 2.88 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 71 I 7.82 3.65 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.90 0.00 0.00 72 A 8.15 3.97 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 73 Q 8.37 3.90 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 74 A 7.97 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 75 N 8.17 4.43 0.00 2.74 2.88 0.00 0.00 7.12 8.70 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 76 L 8.38 4.14 0.00 1.74 1.71 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.16 3.93 0.00 1.94 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 2.29 2.31 0.00 79 A 7.95 4.08 1.36 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 0.00 0.00 80 A 7.66 4.17 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