NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2726 8.4449 121.4720 55.4922 30.7855 175.3144 13 L 3.9333 8.4886 126.5971 53.9389 42.2979 175.0148 14 S 4.5068 9.4803 119.9473 56.7703 64.2421 172.7035 15 P 4.3654 0.0000 0.0000 64.9393 31.2402 178.0770 16 Q 3.8871 7.7995 116.7806 57.9873 28.5262 176.5314 17 Y 4.8035 7.7918 114.1614 56.8405 39.3937 175.6546 18 N 4.7677 7.8512 120.2458 51.9649 39.6356 175.7068 19 W 4.2437 8.6216 117.7130 59.5908 28.0063 178.4912 20 V 2.8613 6.5202 118.2803 65.4651 31.0391 177.4523 21 A 3.8499 8.2015 120.7366 55.6593 18.1206 179.0741 22 C 4.4565 8.5923 115.2038 59.9272 41.3303 176.5862 23 G 3.5833 8.3258 107.5679 47.7345 0.0000 175.9505 24 I 3.7331 7.7633 122.1537 63.9453 37.0473 178.1024 25 L 3.9019 7.8988 121.1749 58.1950 41.9060 178.4738 26 E 4.0179 8.5537 119.5993 59.3619 29.5019 179.0103 27 G 3.7347 8.2953 105.6852 47.7728 0.0000 175.7721 28 G 3.6705 8.3417 108.6961 47.6440 0.0000 175.8253 29 L 4.0928 8.2312 121.8554 57.2227 41.5819 179.8402 30 K 3.9933 8.3461 118.5242 59.3539 31.7941 179.2307 31 A 4.0197 8.2649 120.2775 54.9613 18.4115 178.8492 32 A 4.2524 8.0561 116.7429 52.1145 18.6860 177.8101 33 G 3.8936 7.8976 105.0990 46.6173 0.0000 175.2937 34 V 4.1431 7.8204 114.6584 61.2905 33.2621 176.3693 35 L 4.6784 7.7036 120.7399 53.7916 42.9476 174.9024 36 E 4.8016 8.7811 123.9009 54.1544 33.6178 174.9667 37 E 3.9712 8.5870 119.2386 57.6611 29.8513 177.9008 38 G 3.9683 8.7226 110.5680 46.4292 0.0000 173.5674 39 Q 4.2971 7.2622 118.8876 55.6032 29.5537 175.6832 40 Y 4.8076 8.5721 119.4117 56.6705 40.5535 176.3951 41 N 4.2213 8.9099 120.8974 57.3976 38.9080 177.2007 42 R 3.8977 8.4210 119.6010 59.5091 30.1294 178.3185 43 E 3.9875 8.2203 117.9926 59.1804 29.4544 178.9304 44 L 3.9359 8.0228 120.1955 58.0162 42.1515 178.7210 45 A 3.9799 8.1930 120.8771 55.4125 18.2843 179.4769 46 E 3.9027 8.5027 116.9626 59.4579 29.6321 179.5362 47 A 4.0075 8.1056 120.8618 55.1172 18.4620 179.7966 48 I 3.6568 8.0780 118.3291 64.5129 36.9970 178.4653 49 A 4.1795 8.0100 120.1791 55.1815 18.3316 179.2006 50 A 4.2947 8.2490 119.3011 55.3952 18.2847 180.0215 51 K 4.1873 7.9429 115.3256 58.8968 32.2250 179.2713 52 G 4.1458 7.8830 106.0616 44.9098 0.0000 173.9906 53 E 4.2944 7.4973 121.3566 56.4628 30.8048 177.1933 54 G 4.0742 8.7058 109.5729 44.5806 0.0000 173.0972 55 F 3.8201 8.9548 120.5441 61.6315 39.2527 178.5922 56 W 4.5302 8.1779 117.8663 59.9456 28.8450 178.6674 57 T 4.2192 8.1502 108.8801 64.8403 68.4575 176.0713 58 T 4.1713 7.8108 110.4933 63.0384 69.2804 175.7203 59 Q 4.5113 7.4304 118.4196 54.5828 30.1710 175.2505 60 F 4.6339 8.0373 118.4492 54.2522 41.5467 173.3526 61 P 4.3279 0.0000 0.0000 66.0055 31.0095 178.5543 62 Q 4.0814 8.2769 116.1418 59.0225 28.5375 178.7835 63 I 4.0534 7.8634 120.4940 63.9547 37.4235 178.1351 64 G 3.8492 8.3864 106.7595 48.0999 0.0000 175.1699 65 D 4.3649 8.5376 120.6941 56.6711 41.2927 177.9458 66 W 4.0949 8.5123 129.0399 60.5057 30.7083 177.0957 67 N 4.3591 8.8213 117.1781 57.1276 38.3971 176.5908 68 E 3.9801 8.1950 119.5998 59.3965 29.5439 179.1139 69 D 4.2668 8.3586 119.2720 57.5806 40.8519 178.9655 70 Q 3.6695 8.0226 118.6126 58.5462 28.4857 178.5462 71 A 3.8965 8.0943 121.8825 55.0171 18.4129 179.5334 72 A 3.8735 8.0064 118.9127 55.3177 18.5046 179.7356 73 A 3.9203 7.8990 119.2966 55.2011 18.3606 179.6523 74 L 3.8903 8.1613 118.8265 58.1649 42.0812 178.9862 75 A 3.9935 8.1924 120.8595 55.3026 18.3050 179.3147 76 D 4.2869 8.2145 117.4086 57.4642 40.8253 179.0296 77 R 4.0550 8.1697 119.0693 59.3048 30.0318 178.3045 78 A 4.0190 8.2605 120.7979 55.3019 17.8570 179.2797 79 Q 4.0476 8.3413 118.1455 59.8584 28.8902 178.7791 80 T 3.8478 7.7958 115.4611 66.5799 68.4485 175.1059 81 C 4.7890 8.2448 115.6846 56.3375 40.2280 173.7200 82 G 3.9635 7.8302 108.2645 46.7195 0.0000 175.1570 83 L 4.4032 8.2001 121.2336 55.3096 42.4895 177.3221 84 V 4.6742 7.2661 109.5461 59.1190 35.7971 175.6094 85 K 4.2754 8.7206 122.3772 55.8945 33.1726 176.7639 86 A 4.6654 8.4660 124.8376 51.4215 19.3231 177.4292 87 D 4.4745 8.6532 119.0816 54.7352 40.9227 176.5957 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 12 E 8.44 4.27 0.00 1.95 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 0.00 2.21 2.36 0.00 13 L 8.49 3.93 0.00 1.77 1.65 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.48 4.51 0.00 3.94 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 15 P 0.00 4.37 0.00 2.15 2.03 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 16 Q 7.80 3.89 0.00 1.47 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.21 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 17 Y 7.79 4.80 0.00 2.95 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 18 N 7.85 4.77 0.00 2.87 2.94 0.00 0.00 6.75 8.73 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 19 W 8.62 4.24 0.00 3.60 3.40 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 20 V 6.52 2.86 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -1.05 0.00 0.00 21 A 8.20 3.85 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 22 C 8.59 4.46 0.00 3.11 3.22 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 0.00 0.00 0.00 0.00 23 G 8.33 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.73 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.88 0.00 0.00 25 L 7.90 3.90 0.00 1.75 1.86 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.55 4.02 0.00 2.08 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 0.00 2.33 2.36 0.00 27 G 8.30 3.73 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 0.00 28 G 8.34 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.09 0.00 1.70 1.74 0.93 1.05 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 30 K 8.35 3.99 0.00 2.04 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.57 7.81 31 A 8.26 4.02 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 32 A 8.06 4.25 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 33 G 7.90 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 34 V 7.82 4.14 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 0.73 0.00 0.00 0.99 0.00 0.00 35 L 7.70 4.68 0.00 1.59 1.56 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.78 4.80 0.00 1.95 1.81 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 2.24 2.25 0.00 37 E 8.59 3.97 0.00 1.98 1.85 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 2.39 2.24 0.00 38 G 8.72 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 39 Q 7.26 4.30 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 40 Y 8.57 4.81 0.00 3.05 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 41 N 8.91 4.22 0.00 3.01 3.23 0.00 0.00 7.15 8.49 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 42 R 8.42 3.90 0.00 2.06 1.93 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 43 E 8.22 3.99 0.00 2.32 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 2.46 2.44 0.00 44 L 8.02 3.94 0.00 1.93 1.83 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.19 3.98 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 46 E 8.50 3.90 0.00 2.17 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 2.34 2.49 0.00 47 A 8.11 4.01 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 48 I 8.08 3.66 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.91 0.00 0.00 49 A 8.01 4.18 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 50 A 8.25 4.29 1.39 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 51 K 7.94 4.19 0.00 1.96 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.62 7.81 52 G 7.88 4.15 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 0.00 53 E 7.50 4.29 0.00 2.13 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 0.00 2.41 2.56 0.00 54 G 8.71 4.07 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 0.00 0.00 0.00 55 F 8.95 3.82 0.00 2.92 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.18 4.53 0.00 3.56 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 57 T 8.15 4.22 4.37 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 1.45 0.00 0.00 58 T 7.81 4.17 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 1.24 0.00 0.00 59 Q 7.43 4.51 0.00 1.75 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 60 F 8.04 4.63 0.00 3.35 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 61 P 0.00 4.33 0.00 2.21 2.16 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 62 Q 8.28 4.08 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 63 I 7.86 4.05 2.35 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 1.03 0.00 0.00 64 G 8.39 3.85 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 0.00 0.00 0.00 65 D 8.54 4.36 0.00 2.86 2.99 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 66 W 8.51 4.09 0.00 3.56 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 67 N 8.82 4.36 0.00 3.19 3.19 0.00 0.00 7.29 8.49 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 68 E 8.20 3.98 0.00 2.22 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 2.35 2.54 0.00 69 D 8.36 4.27 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.02 3.67 0.00 1.33 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 8.09 3.90 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 72 A 8.01 3.87 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 73 A 7.90 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.16 3.89 0.00 1.79 1.78 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.19 3.99 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 76 D 8.21 4.29 0.00 2.93 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 77 R 8.17 4.05 0.00 2.02 2.15 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 78 A 8.26 4.02 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 79 Q 8.34 4.05 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 80 T 7.80 3.85 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 0.34 0.00 0.00 81 C 8.24 4.79 0.00 3.26 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 82 G 7.83 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 0.00 0.00 0.00 83 L 8.20 4.40 0.00 1.72 1.74 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.27 4.67 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 0.72 0.00 0.00 0.94 0.00 0.00 85 K 8.72 4.28 0.00 1.05 1.59 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.09 7.81 86 A 8.47 4.67 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.65 4.47 0.00 2.69 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