NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2492 8.2649 123.5827 52.1856 19.9949 177.2369 3 C 4.4930 8.1203 117.5094 56.0755 30.7348 172.3846 4 P 4.2360 0.0000 0.0000 65.6639 31.4621 177.9986 5 L 3.9443 7.8406 118.3293 58.2228 42.0599 178.7184 6 E 4.0233 8.1014 118.1662 59.1483 29.4557 178.9966 7 K 4.0043 8.3668 119.6462 59.2468 32.2045 178.8295 8 A 4.0156 8.1825 121.5484 55.0439 18.3139 179.6058 9 L 4.0167 8.0213 117.6387 57.7950 41.5844 179.1955 10 D 4.3404 8.0715 118.1329 57.4283 41.1455 178.5531 11 V 3.6569 8.0684 118.8175 66.2574 31.2859 177.7886 12 M 4.2117 8.2288 118.5134 58.5951 31.9784 178.8699 13 V 4.0436 8.0501 118.1485 65.7745 31.7380 178.4344 14 S 4.3192 8.5252 115.2096 61.8612 62.9552 176.3349 15 T 4.0246 8.2346 118.6634 66.8945 68.2176 175.8788 16 F 3.8600 7.9090 121.7953 61.8807 39.3277 176.8834 17 H 4.7481 7.9323 115.0956 57.3203 28.3854 177.5223 18 K 3.9643 8.0948 120.9845 58.5857 31.9068 177.2806 19 Y 4.4474 7.3448 115.1164 58.8257 39.5818 178.0756 20 S 4.0804 7.9935 114.9972 60.9751 63.2213 175.7645 21 G 3.7887 7.3866 106.2507 45.4473 0.0000 174.7329 22 K 4.0755 7.7785 120.9158 58.5681 32.1727 177.0872 23 E 4.6728 8.5795 114.0048 54.9860 33.5070 177.1326 24 G 3.5343 8.5129 107.4614 46.0930 0.0000 174.2274 25 D 4.3051 8.5491 122.7892 54.3938 41.4534 177.6682 26 K 3.9844 8.4018 126.0882 58.5814 32.2483 177.7199 27 F 5.3294 8.4426 116.6341 56.9369 39.1745 175.2077 28 K 5.1152 7.6691 117.9265 54.9931 36.5362 175.7477 29 L 4.7237 9.0949 123.6697 53.4766 43.2494 176.5986 30 N 4.8954 9.2634 124.9162 52.2997 39.3919 176.9939 31 K 3.8334 8.8692 123.2329 60.2834 31.4921 177.3686 32 S 4.2796 8.0244 113.8124 61.2574 62.4214 175.9375 33 E 3.9890 9.3239 121.9410 59.3285 29.1873 179.1256 34 L 3.8751 8.3062 120.8688 57.7912 42.0441 178.8915 35 K 3.8940 8.1103 119.6896 59.4229 32.0670 178.6125 36 E 3.8659 7.9998 118.6577 59.2769 29.3645 178.9034 37 L 2.7649 7.3975 120.1497 57.8500 42.0457 179.0795 38 L 4.0353 7.8496 118.5933 58.1190 41.3818 179.5852 39 T 3.8699 7.7808 114.3310 66.7673 68.5393 176.3938 40 R 4.2935 8.1542 118.0395 57.5351 30.5259 177.7381 41 E 4.6489 8.4109 116.9503 56.0236 32.4520 176.0768 42 L 4.9738 8.0370 118.2012 53.0275 42.1091 176.1730 43 P 4.3777 0.0000 0.0000 65.8749 31.9431 179.2973 44 S 3.9027 8.0299 113.9997 60.9774 63.1865 175.3106 45 F 4.3782 8.1831 122.3564 61.0677 39.2136 176.3419 46 L 4.0394 7.8848 121.7327 54.3444 38.6241 178.9624 47 G 3.1440 6.2974 105.9496 46.9715 0.0000 172.9236 *52 E 4.3218 8.0113 116.9074 55.4401 32.2325 178.5291 53 A 3.9662 7.9708 119.7778 55.1541 18.5989 179.4275 54 A 3.9463 7.9416 118.7665 55.1598 18.4570 179.7596 *55 F 3.9948 7.9582 116.1294 60.6069 38.6243 177.4830 56 Q 4.0617 8.2906 121.7537 59.7238 28.9622 179.0367 57 K 3.9888 8.2840 124.8769 59.3822 31.6154 181.0517 58 L 4.1222 7.7075 120.1599 58.5085 42.2165 178.4649 59 M 3.9135 8.4035 118.5788 58.8574 31.8173 178.1880 60 S 4.0927 8.1224 112.4562 61.3118 62.6625 175.5412 61 N 4.4910 7.8160 117.9187 56.4498 38.4059 177.1548 62 L 4.1867 7.8023 119.1459 56.9677 43.3749 178.4652 63 D 5.3844 8.0988 121.0460 52.9501 37.7171 176.6381 64 S 4.1838 8.0834 117.2903 60.4874 63.8741 175.8223 65 N 4.5525 8.8118 116.6055 52.1286 37.4888 174.6955 66 R 3.9653 7.5788 118.1411 57.9246 28.9953 175.6320 67 D 4.6908 8.2538 112.8685 52.5541 39.5923 176.7028 68 N 4.3079 8.8917 115.5112 54.5737 38.0163 172.9374 69 E 4.9255 7.9484 113.8733 55.0208 34.6150 174.7549 70 V 4.6213 8.8413 121.7007 61.5438 33.3914 175.2061 71 D 5.1916 8.7911 128.1068 52.2068 41.7072 177.2118 72 F 3.0790 8.7525 119.5143 61.1127 39.1832 176.5807 73 Q 3.9021 8.1017 118.8208 59.1768 29.0593 177.8648 74 E 4.0604 9.4952 120.3702 59.1556 29.4066 178.6599 75 Y 4.2144 8.1547 120.2091 60.8515 38.8692 177.6665 76 C 3.6624 7.9547 118.0620 62.5872 28.1292 176.2601 77 V 3.4751 7.4658 119.2148 65.8971 31.1190 177.6720 78 F 4.2378 8.0312 120.2753 61.4999 39.1076 177.1136 79 L 3.2946 7.5916 118.4370 57.6335 41.2442 179.5716 80 S 3.9710 8.2586 115.4862 61.6211 62.5531 176.4223 81 C 4.0387 7.9533 121.3332 62.5072 31.3263 175.6717 82 I 3.5370 7.2582 121.1232 64.1780 36.5168 178.0887 83 A 3.9271 8.0386 121.8666 55.6434 17.9595 179.4008 84 M 3.9464 8.0712 116.1415 58.8069 32.1394 178.5739 85 M 4.1996 7.7274 118.0146 58.9802 32.5607 178.0257 86 C 4.1674 8.2154 116.9506 62.9621 28.2769 175.6717 87 N 4.5974 8.6412 118.8568 56.7952 38.2537 176.6012 88 E 4.0573 7.9240 119.4568 59.3022 29.5521 178.7762 89 F 4.1732 8.0913 119.9286 61.4754 39.5568 177.0493 90 F 4.2195 8.5448 115.4802 59.9221 38.8637 175.0838 91 E 4.2456 8.1040 122.1102 56.4592 29.4324 175.9191 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 2 A 8.26 4.25 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 3 C 8.12 4.49 0.00 3.00 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 4 P 0.00 4.24 0.00 2.15 2.12 0.00 3.60 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 2.12 2.16 0.00 5 L 7.84 3.94 0.00 1.74 1.65 0.90 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 6 E 8.10 4.02 0.00 2.06 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 2.40 2.36 0.00 7 K 8.37 4.00 0.00 1.83 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 8 A 8.18 4.02 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 9 L 8.02 4.02 0.00 1.91 1.77 0.93 1.02 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 10 D 8.07 4.34 0.00 2.94 2.90 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 0.00 0.00 0.00 11 V 8.07 3.66 2.26 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 1.13 0.00 0.00 1.01 0.00 0.00 12 M 8.23 4.21 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 13 V 8.05 4.04 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 0.98 0.00 0.00 1.18 0.00 0.00 14 S 8.53 4.32 0.00 4.02 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 T 8.23 4.02 4.54 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 1.50 0.00 0.00 16 F 7.91 3.86 0.00 2.55 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.93 4.75 0.00 3.42 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.09 3.96 0.00 1.65 1.86 0.00 1.65 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.63 1.20 7.81 19 Y 7.34 4.45 0.00 2.94 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 20 S 7.99 4.08 0.00 3.95 3.10 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 0.00 0.00 0.00 21 G 7.39 3.79 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 0.00 0.00 0.00 22 K 7.78 4.08 0.00 1.98 1.85 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.28 7.81 23 E 8.58 4.67 0.00 1.92 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 2.17 2.39 0.00 24 G 8.51 3.53 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 25 D 8.55 4.31 0.00 2.70 2.59 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 26 K 8.40 3.98 0.00 0.79 1.24 0.00 1.73 0.00 0.00 1.45 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.30 7.81 27 F 8.44 5.33 0.00 3.13 3.10 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 0.00 0.00 0.00 28 K 7.67 5.12 0.00 1.77 1.79 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.60 7.81 29 L 9.09 4.72 0.00 1.65 1.53 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.26 4.90 0.00 2.84 2.95 0.00 0.00 6.62 6.81 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 31 K 8.87 3.83 0.00 1.78 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.10 7.81 32 S 8.02 4.28 0.00 3.87 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 33 E 9.32 3.99 0.00 2.26 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 2.48 2.31 0.00 34 L 8.31 3.88 0.00 1.74 1.78 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.11 3.89 0.00 2.05 1.95 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.36 7.81 36 E 8.00 3.87 0.00 2.24 2.00 0.00 0.00 0.00 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 2.34 0.00 37 L 7.40 2.76 0.00 1.09 1.58 0.99 0.69 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 38 L 7.85 4.04 0.00 1.76 1.81 0.91 0.87 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 39 T 7.78 3.87 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 1.22 0.00 0.00 40 R 8.15 4.29 0.00 1.81 2.08 0.00 3.23 0.00 0.00 3.44 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 41 E 8.41 4.65 0.00 2.07 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 0.00 2.31 2.61 0.00 42 L 8.04 4.97 0.00 1.79 1.69 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.38 0.00 2.24 2.34 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 44 S 8.03 3.90 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.18 4.38 0.00 2.98 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 46 L 7.88 4.04 0.00 1.64 1.63 0.95 0.88 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 47 G 6.30 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 0.00 0.00 0.00 *52 E 8.01 4.32 0.00 2.03 2.04 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 2.29 2.26 0.00 53 A 7.97 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 54 A 7.94 3.95 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 *55 F 7.96 3.99 0.00 2.51 2.34 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 56 Q 8.29 4.06 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 57 K 8.28 3.99 0.00 1.80 1.81 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 58 L 7.71 4.12 0.00 1.91 1.79 0.64 0.88 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 59 M 8.40 3.91 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 60 S 8.12 4.09 0.00 3.95 4.03 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 0.00 0.00 0.00 61 N 7.82 4.49 0.00 2.93 2.88 0.00 0.00 7.11 7.58 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 62 L 7.80 4.19 0.00 1.54 1.67 0.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.10 5.38 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.18 0.00 4.03 3.99 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 65 N 8.81 4.55 0.00 2.85 2.99 0.00 0.00 6.92 7.30 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 66 R 7.58 3.97 0.00 2.26 2.03 0.00 3.36 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 67 D 8.25 4.69 0.00 2.83 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.89 4.31 0.00 2.88 2.97 0.00 0.00 6.82 8.01 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 69 E 7.95 4.93 0.00 1.99 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 2.25 2.26 0.00 70 V 8.84 4.62 2.18 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 1.17 0.00 0.00 0.94 0.00 0.00 71 D 8.79 5.19 0.00 2.97 2.92 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 72 F 8.75 3.08 0.00 2.52 2.89 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 73 Q 8.10 3.90 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 74 E 9.50 4.06 0.00 2.25 2.14 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 2.35 2.55 0.00 75 Y 8.15 4.21 0.00 3.16 2.70 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 76 C 7.95 3.66 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 3.48 2.22 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 1.00 0.00 0.00 0.93 0.00 0.00 78 F 8.03 4.24 0.00 3.02 3.11 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 0.00 0.00 0.00 79 L 7.59 3.29 0.00 1.40 1.32 0.33 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.26 3.97 0.00 3.90 3.84 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 81 C 7.95 4.04 0.00 3.08 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 82 I 7.26 3.54 1.59 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.29 0.74 0.00 0.00 83 A 8.04 3.93 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.07 3.95 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 85 M 7.73 4.20 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 86 C 8.22 4.17 0.00 3.22 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 87 N 8.64 4.60 0.00 2.95 3.05 0.00 0.00 7.20 8.31 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 88 E 7.92 4.06 0.00 2.13 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 0.00 2.59 2.51 0.00 89 F 8.09 4.17 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.54 4.22 0.00 3.29 3.16 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 0.00 91 E 8.10 4.25 0.00 2.15 1.88 0.00 0.00 0.00 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 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.