NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.3064 8.4293 116.7535 55.5081 31.6709 176.2103 10 E 4.4968 8.3006 117.7164 54.2492 31.2631 170.9672 11 E 4.4532 9.1480 131.4379 55.7059 32.1064 177.1382 12 E 5.7121 8.5943 135.0000 56.6871 32.0184 176.8492 13 L 3.9645 8.3392 129.3732 55.2737 42.4709 176.2678 14 V 4.2071 8.0879 124.9988 60.8040 34.0268 173.9382 15 D 4.4047 8.7566 127.5861 53.4977 41.1006 174.6433 16 P 4.2621 0.0000 0.0000 65.6389 30.7641 177.8203 17 L 3.9806 7.9381 120.7766 58.3879 42.0165 178.9952 18 T 3.8901 8.1164 109.7076 65.1382 68.7303 176.4021 19 T 3.8973 8.0206 118.6108 66.6828 68.4237 176.2131 20 I 3.9549 7.9786 121.0723 64.1038 37.0104 178.6162 21 R 3.9891 7.9849 118.4056 59.1581 30.1031 178.7261 22 E 4.1074 8.4235 118.6297 59.5597 29.4528 178.3362 23 H 4.0931 8.0650 118.0211 60.0808 29.7703 176.5299 24 C 4.1785 8.5894 118.2144 59.8163 39.8144 175.5532 25 E 3.9714 8.0630 118.5753 58.1431 29.1555 177.8888 26 Q 4.2667 7.5310 118.5643 55.9562 29.8772 175.6875 27 T 4.0656 7.6372 117.0657 63.7534 68.9832 174.2119 28 E 3.7221 8.4080 123.1737 60.0791 29.4219 179.3878 29 K 3.8589 8.0069 117.0370 59.9694 32.1921 178.6462 30 C 4.2147 8.1800 115.9554 63.0814 28.0731 175.9317 31 V 3.6549 7.9959 119.5826 66.4934 31.0121 178.3547 32 K 4.0165 8.0077 117.0769 59.1865 31.8460 179.3888 33 A 4.0169 8.3107 121.3507 55.1774 18.3481 179.4573 34 R 3.2616 9.9246 117.0342 59.4067 30.0555 178.2528 35 E 3.8433 8.4588 119.2125 59.5229 29.3168 179.0699 36 R 3.9640 8.3895 118.2767 58.7647 29.9099 178.9880 37 L 3.9338 7.8758 120.4114 58.0818 42.1551 178.3102 38 E 3.8789 8.2629 118.9534 59.6231 29.5048 179.4094 39 L 3.9394 7.8891 118.5217 58.0894 41.6405 178.6333 40 C 4.1650 7.7836 117.5915 59.5993 41.8464 174.6660 41 D 4.3056 8.3847 119.6698 57.8119 40.8967 178.1422 42 A 4.0302 8.3347 121.1851 55.8690 18.2414 179.8481 43 R 4.2435 7.9848 114.3559 58.6028 29.3113 179.3663 44 V 3.5357 7.8050 118.5252 66.0519 31.7132 177.9599 45 S 4.2424 8.6076 114.2477 61.1093 62.9238 176.6183 46 S 4.3637 7.8965 116.5558 59.9383 63.4214 174.8329 47 R 4.2299 7.6143 121.7968 56.1295 30.1479 177.1145 48 S 4.7962 8.0532 117.8877 58.0846 63.9232 173.2613 49 H 4.7729 7.3537 113.4597 57.6085 31.2604 173.3455 50 T 4.5831 7.7950 112.5026 60.4034 70.3320 172.8787 51 E 4.2634 8.6129 125.5732 56.5687 30.0534 176.4065 52 E 4.1814 7.3991 119.7141 56.5549 30.3086 175.7217 53 Q 4.6052 8.0178 119.5316 54.1779 32.8078 175.6214 54 C 5.5550 8.4105 118.8616 56.9592 36.8694 176.6021 55 T 3.4069 7.7080 118.4020 66.5777 67.9912 175.1479 56 E 3.8519 8.0034 120.4055 59.7990 29.5126 178.8726 57 E 4.0137 8.0669 117.5930 59.3085 29.5902 178.9088 58 L 4.1011 8.1525 120.6096 58.1896 42.0221 179.1855 59 F 4.5852 8.7769 117.9837 60.9664 39.0825 177.3387 60 D 4.2615 8.7062 118.9690 57.3716 40.5490 178.7940 61 F 4.2651 8.6531 121.2404 61.2794 39.4489 176.9381 62 L 3.6211 8.6223 118.8372 58.0871 41.5343 178.9301 63 H 3.9129 8.9007 118.3993 59.4399 29.6186 177.0808 64 A 3.9724 7.8323 121.8856 55.4347 18.1366 179.0652 65 R 3.6496 8.0549 117.8203 59.4317 30.0186 178.2146 66 D 4.3235 8.5304 118.8343 57.5975 40.7306 178.5148 67 H 3.9405 7.8025 117.8817 59.3861 30.0731 176.1246 68 C 4.4066 7.8740 119.8667 59.7819 44.7074 175.1597 69 V 3.5501 8.0033 119.9251 66.3611 30.8444 177.4941 70 A 4.1029 8.3853 116.9733 53.5923 18.1364 177.5016 71 H 4.5637 7.8935 116.6749 55.4825 30.4154 174.3129 72 K 4.4495 7.7494 117.5214 57.6999 37.4504 176.7813 73 L 3.9888 8.2026 123.0942 58.4152 42.2709 179.2107 74 F 4.3943 8.3832 116.3547 60.4511 39.2035 177.0806 75 N 4.3972 8.2838 117.8776 56.2864 38.3683 176.5168 76 K 4.1489 7.7752 115.9061 58.1163 32.4890 177.3719 77 L 4.3496 7.3651 118.2766 53.6827 42.7476 176.6983 78 K 4.0851 8.2507 120.0505 56.6165 32.1770 176.0132 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 *9 E 8.43 4.31 0.00 1.73 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 2.13 2.37 0.00 10 E 8.30 4.50 0.00 2.08 1.95 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 2.16 2.39 0.00 11 E 9.15 4.45 0.00 1.89 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 2.20 2.32 0.00 12 E 8.59 5.71 0.00 2.01 1.91 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 2.06 2.03 0.00 13 L 8.34 3.96 0.00 1.62 1.58 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.09 4.21 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 0.87 0.00 0.00 0.98 0.00 0.00 15 D 8.76 4.40 0.00 2.76 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 16 P 0.00 4.26 0.00 2.32 2.34 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 17 L 7.94 3.98 0.00 1.76 1.87 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.12 3.89 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 1.23 0.00 0.00 19 T 8.02 3.90 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 1.23 0.00 0.00 20 I 7.98 3.95 1.91 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 1.56 0.93 0.97 0.00 0.00 21 R 7.98 3.99 0.00 1.98 2.04 0.00 3.19 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 22 E 8.42 4.11 0.00 2.22 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 2.36 2.69 0.00 23 H 8.07 4.09 0.00 3.22 3.50 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 24 C 8.59 4.18 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.06 3.97 0.00 2.18 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 0.00 2.83 2.52 0.00 26 Q 7.53 4.27 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 27 T 7.64 4.07 4.44 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 1.22 0.00 0.00 28 E 8.41 3.72 0.00 2.07 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 2.39 2.52 0.00 29 K 8.01 3.86 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.54 7.81 30 C 8.18 4.21 0.00 3.32 3.34 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 31 V 8.00 3.65 2.27 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 1.11 0.00 0.00 1.08 0.00 0.00 32 K 8.01 4.02 0.00 1.95 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.61 7.81 33 A 8.31 4.02 1.63 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 0.00 0.00 34 R 9.92 3.26 0.00 1.44 2.12 0.00 3.09 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 35 E 8.46 3.84 0.00 2.08 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 0.00 2.29 2.33 0.00 36 R 8.39 3.96 0.00 2.02 1.97 0.00 3.18 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 37 L 7.88 3.93 0.00 1.80 1.73 0.91 0.69 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 38 E 8.26 3.88 0.00 2.05 1.96 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 2.49 2.44 0.00 39 L 7.89 3.94 0.00 1.86 1.71 0.91 0.57 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 40 C 7.78 4.17 0.00 2.97 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 41 D 8.38 4.31 0.00 2.84 2.82 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 0.00 0.00 0.00 42 A 8.33 4.03 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 43 R 7.98 4.24 0.00 2.06 2.19 0.00 3.03 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.48 0.00 44 V 7.80 3.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.03 0.00 0.00 45 S 8.61 4.24 0.00 3.94 3.91 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 46 S 7.90 4.36 0.00 4.08 4.09 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 0.00 0.00 0.00 0.00 47 R 7.61 4.23 0.00 1.85 1.93 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 48 S 8.05 4.80 0.00 3.95 3.91 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 49 H 7.35 4.77 0.00 3.00 3.25 0.00 5.86 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.79 4.58 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 1.19 0.00 0.00 51 E 8.61 4.26 0.00 1.96 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 2.23 2.20 0.00 52 E 7.40 4.18 0.00 1.91 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 2.29 2.26 0.00 53 Q 8.02 4.61 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.34 0.00 0.00 0.00 0.00 0.00 2.23 2.52 0.00 54 C 8.41 5.56 0.00 2.91 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 55 T 7.71 3.41 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 0.24 0.00 0.00 56 E 8.00 3.85 0.00 1.99 1.93 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 2.50 2.47 0.00 57 E 8.07 4.01 0.00 2.08 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 2.54 2.43 0.00 58 L 8.15 4.10 0.00 1.80 1.82 1.12 1.34 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 59 F 8.78 4.59 0.00 3.17 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 60 D 8.71 4.26 0.00 2.75 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 61 F 8.65 4.27 0.00 3.22 3.35 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 62 L 8.62 3.62 0.00 1.98 1.71 1.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.90 3.91 0.00 3.25 3.45 0.00 5.59 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 64 A 7.83 3.97 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 65 R 8.05 3.65 0.00 1.01 1.55 0.00 3.28 0.00 0.00 2.94 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 66 D 8.53 4.32 0.00 2.72 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 67 H 7.80 3.94 0.00 3.20 3.45 0.00 5.76 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 68 C 7.87 4.41 0.00 2.95 3.33 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 69 V 8.00 3.55 2.21 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 0.96 0.00 0.00 0.96 0.00 0.00 70 A 8.39 4.10 1.17 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 71 H 7.89 4.56 0.00 3.36 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.75 4.45 0.00 1.95 2.01 0.00 1.63 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 73 L 8.20 3.99 0.00 1.86 1.86 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.38 4.39 0.00 2.99 3.05 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 0.00 0.00 0.00 0.00 75 N 8.28 4.40 0.00 2.91 2.92 0.00 0.00 7.05 7.12 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 76 K 7.78 4.15 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.43 7.81 77 L 7.37 4.35 0.00 1.56 1.40 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.25 4.09 0.00 1.65 1.61 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.