NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2994 8.2644 123.5834 52.3809 19.9319 175.5674 2 S 4.3297 7.8234 111.5688 56.5460 64.8730 174.2163 3 N 4.2860 8.9290 124.1418 53.5860 40.0009 174.1834 4 Y 4.2424 8.4094 126.8337 57.3567 40.7173 174.2483 5 D 5.1098 7.3381 116.3971 52.9576 41.7975 177.4144 6 C 5.0381 7.7601 124.0173 56.1341 40.3442 176.3838 7 C 4.3995 8.4835 123.9893 56.2360 41.1345 172.7165 8 L 4.0327 8.2601 120.5614 57.7231 41.6103 177.9447 9 S 4.5492 7.9657 108.7145 57.5099 66.6708 174.6466 10 Y 4.4042 8.9480 126.5161 57.2627 39.6013 176.8364 11 I 3.9248 7.4394 124.6909 60.6049 35.8639 176.3683 12 Q 4.1963 8.3583 124.5421 58.3790 28.6771 177.6177 13 T 4.1620 7.2640 114.1336 61.2069 70.7732 171.9314 14 P 2.9700 0.0000 0.0000 61.8017 30.6894 176.0873 15 L 4.0884 6.5113 123.7751 52.9953 42.3538 174.8562 16 P 4.4050 0.0000 0.0000 62.3473 32.0230 177.5890 17 S 4.2571 8.8026 114.9171 61.0007 62.8546 176.2828 18 R 3.8231 8.0697 120.0261 58.2834 30.1575 176.3255 19 A 4.4843 8.2976 119.4328 51.9478 20.0750 175.8965 20 I 4.3891 7.7228 118.2846 60.0885 37.2137 176.0920 21 V 3.9758 8.6759 126.4290 64.2511 32.3334 176.2150 22 G 4.5325 8.2275 107.0797 44.5339 0.0000 171.1216 23 F 5.1835 8.0784 113.9459 57.2882 39.9961 172.5080 24 T 4.5263 8.3141 115.2384 62.4873 73.5521 173.0413 25 R 4.6656 8.3386 121.6061 55.1625 31.9600 175.9542 26 Q 4.5928 8.5530 124.4163 54.4997 31.4695 175.0024 27 M 4.6228 8.7720 125.6208 55.0890 33.5731 176.0442 28 A 4.5924 8.0042 122.4638 51.3423 19.1164 175.4608 29 D 4.3926 8.9046 128.8615 56.1103 47.3800 179.1594 30 E 4.3654 7.4835 121.2702 54.9783 29.1145 178.0440 31 A 4.1634 8.8624 117.7605 54.6055 18.7840 177.9876 32 C 4.9785 7.8832 115.0387 55.3075 44.9160 173.4115 33 D 4.2429 7.7569 124.8232 54.0659 41.5182 174.9448 34 I 4.7777 6.8918 111.0248 59.2212 41.8207 173.9220 35 N 4.9066 8.5529 119.6710 52.9067 38.6210 173.9514 36 A 4.8024 8.7566 122.3733 50.6181 23.8577 175.0605 37 I 4.1236 8.3670 120.7715 59.2138 38.7959 176.2355 38 I 4.7553 7.9537 131.3023 60.8018 34.4414 175.9934 39 F 4.7377 8.9227 124.6763 57.6902 40.7470 175.5121 40 H 5.3111 9.3203 117.0665 54.5326 29.1068 172.2708 41 T 4.5811 8.0725 109.7753 62.1921 69.4713 175.6801 42 K 4.3748 8.4830 118.9120 56.8804 33.4595 177.2909 43 K 4.6617 7.4097 122.1443 55.5255 32.6452 175.7074 44 R 4.3268 7.5246 110.3542 54.6408 34.6922 175.3303 45 K 4.2018 8.7725 122.4977 56.0364 33.2197 175.4892 46 S 4.4209 8.7588 115.2411 59.7748 62.4777 173.8013 47 V 4.5476 9.2568 128.0459 61.3584 34.1170 172.1334 48 C 5.3551 8.8109 121.1702 53.7746 43.2383 172.3503 49 A 4.6307 8.5414 126.3712 49.3154 21.3158 174.5913 50 D 5.0074 8.9851 123.1647 52.9215 41.7273 176.0332 51 P 4.5630 0.0000 0.0000 62.2283 29.8167 176.4130 52 K 4.5604 7.5590 111.6053 57.1401 34.7702 176.1843 53 Q 4.7510 7.7595 118.8021 54.3973 31.6846 176.0311 54 N 4.4881 8.6734 116.5199 55.4998 37.6098 177.5009 55 W 4.1582 8.0622 118.1614 59.5383 28.3348 178.2593 56 V 2.9230 6.3615 119.1350 65.0720 30.8967 177.5887 57 K 3.7348 7.8554 118.0735 60.2735 32.3037 179.1378 58 R 3.8669 8.1410 118.7120 58.9506 30.1079 178.9343 59 A 3.7947 7.9458 120.5753 55.1660 18.3963 179.9383 60 V 3.7668 8.1070 117.0224 65.8749 31.4022 177.6563 61 N 4.2679 8.4145 117.4954 56.7739 39.0251 176.6412 62 L 4.0529 7.8971 119.8854 57.9616 41.5893 179.5516 63 L 4.0084 8.1863 119.7543 58.1222 41.8450 178.7092 64 S 3.8757 8.3636 112.5513 61.5132 62.2998 175.8119 65 L 4.2392 7.6326 119.9020 56.7485 41.5844 179.1037 66 R 4.0760 7.5936 118.1917 59.0446 30.2451 178.1571 67 V 4.0339 8.3393 117.3106 61.1122 31.8059 176.6767 68 K 4.1850 7.6845 122.2528 56.1728 32.6122 174.5650 69 K 3.9585 8.3099 127.0042 57.2449 32.7580 176.2600 70 M 4.2180 8.2679 122.3847 56.2311 31.9558 174.2219 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 A 8.26 4.30 1.27 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 0.00 0.00 2 S 7.82 4.33 0.00 3.87 3.70 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 0.00 0.00 0.00 0.00 3 N 8.93 4.29 0.00 2.64 2.69 0.00 0.00 6.70 7.28 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 4 Y 8.41 4.24 0.00 2.90 2.94 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 5 D 7.34 5.11 0.00 2.40 2.33 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 6 C 7.76 5.04 0.00 3.19 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.48 4.40 0.00 3.12 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 8 L 8.26 4.03 0.00 1.66 1.81 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.97 4.55 0.00 3.89 3.78 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 0.00 0.00 0.00 0.00 10 Y 8.95 4.40 0.00 2.93 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 11 I 7.44 3.92 1.93 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 1.70 1.03 0.65 0.00 0.00 12 Q 8.36 4.20 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 13 T 7.26 4.16 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 1.05 0.00 0.00 14 P 0.00 2.97 0.00 0.72 1.53 0.00 3.55 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 15 L 6.51 4.09 0.00 1.52 1.42 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.41 0.00 2.20 2.15 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 17 S 8.80 4.26 0.00 4.02 4.22 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 18 R 8.07 3.82 0.00 1.78 1.98 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 19 A 8.30 4.48 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 20 I 7.72 4.39 1.98 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.18 1.26 0.00 0.00 21 V 8.68 3.98 2.15 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 0.94 0.00 0.00 0.98 0.00 0.00 22 G 8.23 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.08 5.18 0.00 2.79 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 24 T 8.31 4.53 4.22 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 1.14 0.00 0.00 25 R 8.34 4.67 0.00 1.64 1.81 0.00 3.27 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 26 Q 8.55 4.59 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 27 M 8.77 4.62 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 28 A 8.00 4.59 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 29 D 8.90 4.39 0.00 2.56 2.65 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 0.00 0.00 0.00 0.00 30 E 7.48 4.37 0.00 2.01 1.75 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 2.41 2.34 0.00 31 A 8.86 4.16 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 32 C 7.88 4.98 0.00 3.14 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 33 D 7.76 4.24 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.89 4.78 1.81 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 1.40 0.87 0.72 0.00 0.00 35 N 8.55 4.91 0.00 2.84 2.96 0.00 0.00 5.52 7.44 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 36 A 8.76 4.80 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.37 4.12 1.22 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 -0.32 0.00 0.00 38 I 7.95 4.76 1.93 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 1.24 0.69 0.91 0.00 0.00 39 F 8.92 4.74 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.32 5.31 0.00 3.14 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.07 4.58 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 1.17 0.00 0.00 42 K 8.48 4.37 0.00 1.83 1.99 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 43 K 7.41 4.66 0.00 1.67 1.73 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 44 R 7.52 4.33 0.00 1.83 1.80 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 45 K 8.77 4.20 0.00 1.68 1.85 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.48 7.81 46 S 8.76 4.42 0.00 4.00 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 47 V 9.26 4.55 2.19 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 1.39 0.00 0.00 1.07 0.00 0.00 48 C 8.81 5.36 0.00 3.10 3.24 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 49 A 8.54 4.63 1.34 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 50 D 8.99 5.01 0.00 3.14 2.84 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 51 P 0.00 4.56 0.00 2.16 1.98 0.00 4.04 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 52 K 7.56 4.56 0.00 1.82 1.87 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.34 1.82 7.81 53 Q 7.76 4.75 0.00 1.92 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 7.27 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 54 N 8.67 4.49 0.00 3.05 3.12 0.00 0.00 5.78 9.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.06 4.16 0.00 3.61 3.29 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 0.00 0.00 0.00 0.00 56 V 6.36 2.92 1.53 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 0.78 0.00 0.00 -0.20 0.00 0.00 57 K 7.86 3.73 0.00 2.01 2.11 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.47 7.81 58 R 8.14 3.87 0.00 2.18 2.03 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 59 A 7.95 3.79 1.02 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 0.00 0.00 60 V 8.11 3.77 1.97 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 0.92 0.00 0.00 0.74 0.00 0.00 61 N 8.41 4.27 0.00 2.94 3.02 0.00 0.00 7.08 6.68 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 62 L 7.90 4.05 0.00 2.06 1.84 0.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.19 4.01 0.00 1.82 2.21 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.36 3.88 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.63 4.24 0.00 1.66 1.72 0.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.59 4.08 0.00 2.03 2.06 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 67 V 8.34 4.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.88 0.00 0.00 68 K 7.68 4.18 0.00 1.77 1.78 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.47 7.81 69 K 8.31 3.96 0.00 1.74 1.71 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.38 7.81 70 M 8.27 4.22 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00