NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.3619 8.2644 123.5817 51.6220 20.5044 176.8244 12 L 4.5310 7.5122 115.8976 54.3838 44.6937 175.8430 13 D 4.3619 8.6642 118.8978 58.4775 41.6772 177.5827 14 S 4.4932 7.8987 112.4589 57.7403 62.5048 177.4253 15 L 3.9956 8.0248 123.9043 55.9810 42.0527 176.0617 16 A 4.4420 8.5223 129.4274 51.0209 19.7220 175.9423 17 L 4.6628 8.3086 123.1464 52.9558 43.6889 175.8429 18 D 4.6845 8.6717 123.3738 53.5482 41.3789 175.6787 19 L 5.2511 8.3943 124.0037 53.0335 44.9152 175.9509 20 T 4.7091 8.7424 111.4338 59.8807 72.5119 172.8943 21 L 4.8751 8.4461 123.0430 53.7559 42.8830 176.2097 22 R 4.4424 9.3489 126.9997 54.5873 31.2420 176.2968 23 C 5.0444 9.9082 123.3856 55.3941 30.2729 173.4647 24 G 4.4303 7.1198 109.1478 45.5685 0.0000 172.6787 25 E 4.7561 7.8847 119.8253 54.5767 33.5341 174.8763 26 L 4.4643 8.2489 122.8579 55.5668 43.0209 174.9517 27 R 4.7134 8.3739 117.8286 54.3802 31.9175 176.4688 28 L 5.0138 8.0976 121.2916 51.4443 45.8398 177.0732 29 T 4.2350 9.4059 112.8444 61.1368 70.9371 175.6778 30 L 3.9398 8.3778 122.5092 58.1824 41.8792 178.8574 31 A 3.9730 7.8787 119.3538 55.1677 18.7258 178.8451 32 E 4.0504 8.2043 117.0854 59.6063 29.0376 179.4545 33 L 3.9807 8.0035 120.2023 58.2438 41.9296 179.2037 34 R 4.0088 8.0707 117.1582 58.7185 30.0486 178.2130 35 R 4.3666 7.3619 114.7005 55.1090 30.8076 176.5888 36 L 4.1996 7.1194 119.4748 54.6041 42.4447 176.1547 37 D 4.9997 7.9040 118.8356 51.7250 43.8692 175.6311 38 A 4.1052 8.3598 124.2692 54.1594 18.8065 177.1596 39 G 4.1162 8.9462 109.7152 45.7112 0.0000 174.4873 40 T 4.0816 7.2689 108.7050 61.3852 69.4686 173.7431 41 I 4.3837 8.1156 124.4689 59.6248 38.9729 175.0089 42 L 4.4969 8.2983 125.1085 53.1787 42.8808 175.6767 43 E 4.2421 8.6266 124.6018 55.4202 30.3427 176.2716 44 V 4.2248 8.0309 126.1026 60.9402 31.5913 174.8809 45 T 4.1440 7.9327 115.6376 61.1196 69.8052 175.5779 46 G 4.0240 9.8991 109.4334 45.1503 0.0000 173.2693 47 I 4.5119 6.9890 118.0123 58.8847 41.2363 174.1640 48 S 4.1979 8.6045 121.8981 57.2021 62.5849 171.5274 49 P 4.3059 0.0000 0.0000 64.6470 31.5778 176.6693 50 G 3.9767 9.0756 111.5443 45.1766 0.0000 172.3745 51 H 4.9488 7.9617 119.5353 55.9933 30.7719 174.4344 52 A 4.9009 8.5985 125.2843 50.7058 23.0053 174.9164 53 T 4.7297 9.1458 118.2863 62.0122 71.1185 173.6825 54 L 4.7964 9.0091 128.7014 54.3862 43.4989 175.0354 55 C 5.3242 9.3388 124.0908 58.1874 32.4101 172.6749 56 H 4.7935 9.1231 123.0566 54.3062 31.0869 175.9440 57 G 3.7295 8.8290 120.1697 47.6818 0.0000 175.0374 58 E 4.4377 9.0658 120.5215 55.5595 30.7272 176.3602 59 Q 4.4018 8.0208 118.0870 55.7162 29.7942 175.2349 60 V 4.3029 8.2634 122.3679 62.7261 32.4922 175.6881 61 V 4.4124 9.0282 119.7789 62.2833 34.3517 175.4032 62 A 5.0162 7.7443 119.5020 50.8915 22.6804 174.9291 63 E 4.9066 9.4274 119.1933 55.0329 32.8587 175.5685 64 G 4.4196 8.6483 108.5721 45.6967 0.0000 171.2309 65 E 5.1739 8.8967 119.0753 53.9091 32.6771 176.2106 66 L 4.5767 8.9267 125.1488 55.2411 42.1918 177.0390 67 V 4.5717 8.9904 116.6087 59.4319 36.2507 173.9470 68 D 4.9571 8.5213 122.1798 53.4235 42.9078 175.4665 69 V 4.3504 8.9177 126.3300 61.5962 31.7548 174.7599 70 E 3.8925 9.7941 128.8019 56.9454 27.0486 176.2795 71 G 3.9727 8.8036 106.7196 45.3108 0.0000 174.3590 72 R 4.5636 7.9928 119.0085 54.1830 32.3592 174.7047 73 L 4.7360 8.2519 122.0113 54.7023 43.0369 175.9863 74 G 4.3169 9.1177 112.1931 44.3117 0.0000 170.8730 75 L 5.1756 8.4207 122.0779 53.0566 44.3934 175.2902 76 Q 4.4287 9.1128 129.1368 54.6518 30.3557 174.8122 77 I 4.2928 8.4832 128.5132 62.0042 37.0540 175.9249 78 T 4.4852 8.7778 117.2179 62.4858 71.0451 175.0817 79 R 4.5198 7.5512 121.6033 55.0448 33.5454 173.5593 80 L 4.5097 8.6370 129.0341 54.6002 43.2557 176.4619 81 V 4.0759 8.3621 124.9431 63.0256 31.2378 175.0572 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 11 A 8.26 4.36 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 12 L 7.51 4.53 0.00 1.74 1.56 0.92 0.94 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 13 D 8.66 4.36 0.00 2.68 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 14 S 7.90 4.49 0.00 3.63 3.74 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 15 L 8.02 4.00 0.00 1.63 1.66 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.52 4.44 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 17 L 8.31 4.66 0.00 1.63 1.60 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.67 4.68 0.00 2.68 2.62 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 19 L 8.39 5.25 0.00 1.50 1.62 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.74 4.71 4.23 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 1.20 0.00 0.00 21 L 8.45 4.88 0.00 1.52 1.65 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 R 9.35 4.44 0.00 1.84 1.82 0.00 3.04 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 23 C 9.91 5.04 0.00 3.08 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 24 G 7.12 4.43 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 0.00 25 E 7.88 4.76 0.00 1.90 1.80 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 2.20 2.28 0.00 26 L 8.25 4.46 0.00 1.71 1.59 0.92 0.53 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 27 R 8.37 4.71 0.00 1.82 1.72 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 28 L 8.10 5.01 0.00 1.56 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.41 4.23 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 1.28 0.00 0.00 30 L 8.38 3.94 0.00 1.77 1.70 0.92 0.86 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 31 A 7.88 3.97 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 32 E 8.20 4.05 0.00 2.23 2.02 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 2.33 2.32 0.00 33 L 8.00 3.98 0.00 1.77 1.81 0.92 0.80 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 34 R 8.07 4.01 0.00 2.02 1.98 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 35 R 7.36 4.37 0.00 1.93 1.96 0.00 3.16 0.00 0.00 3.39 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 36 L 7.12 4.20 0.00 1.67 1.60 0.92 0.93 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 37 D 7.90 5.00 0.00 2.72 2.52 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 38 A 8.36 4.11 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 39 G 8.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.27 4.08 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 1.21 0.00 0.00 41 I 8.12 4.38 1.87 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 1.41 0.62 0.91 0.00 0.00 42 L 8.30 4.50 0.00 1.61 1.59 0.92 0.93 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 43 E 8.63 4.24 0.00 1.92 1.84 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 2.26 2.29 0.00 44 V 8.03 4.22 2.08 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 0.93 0.00 0.00 0.93 0.00 0.00 45 T 7.93 4.14 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 1.21 0.00 0.00 46 G 9.90 4.02 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 0.00 47 I 6.99 4.51 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.96 0.00 0.00 48 S 8.60 4.20 0.00 3.86 3.71 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 49 P 0.00 4.31 0.00 2.08 2.01 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 50 G 9.08 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 0.00 0.00 0.00 51 H 7.96 4.95 0.00 3.20 3.28 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.60 4.90 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 53 T 9.15 4.73 4.25 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 1.27 0.00 0.00 54 L 9.01 4.80 0.00 1.80 1.54 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 C 9.34 5.32 0.00 2.82 2.91 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 56 H 9.12 4.79 0.00 3.19 3.19 0.00 5.74 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 57 G 8.83 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 58 E 9.07 4.44 0.00 1.99 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 2.15 1.88 0.00 59 Q 8.02 4.40 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 60 V 8.26 4.30 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 61 V 9.03 4.41 2.08 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 0.65 0.00 0.00 0.97 0.00 0.00 62 A 7.74 5.02 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 63 E 9.43 4.91 0.00 1.86 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 2.25 2.41 0.00 64 G 8.65 4.42 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 0.00 65 E 8.90 5.17 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 66 L 8.93 4.58 0.00 1.48 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.99 4.57 2.08 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 0.68 0.00 0.00 0.96 0.00 0.00 68 D 8.52 4.96 0.00 2.80 2.53 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 69 V 8.92 4.35 2.08 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 0.91 0.00 0.00 0.93 0.00 0.00 70 E 9.79 3.89 0.00 2.12 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 2.22 2.28 0.00 71 G 8.80 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 72 R 7.99 4.56 0.00 1.97 1.83 0.00 3.12 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 73 L 8.25 4.74 0.00 1.63 1.56 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.12 4.32 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 0.00 75 L 8.42 5.18 0.00 1.59 1.53 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 9.11 4.43 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 77 I 8.48 4.29 1.87 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 1.39 0.92 0.93 0.00 0.00 78 T 8.78 4.49 4.26 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 1.26 0.00 0.00 79 R 7.55 4.52 0.00 1.89 1.78 0.00 3.17 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 80 L 8.64 4.51 0.00 1.96 1.54 0.92 0.91 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 81 V 8.36 4.08 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 0.80 0.00 0.00 0.94 0.00 0.00