NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3547 8.3049 120.3462 55.3193 33.4610 176.8058 2 L 4.1989 8.4419 116.6172 54.2975 44.0706 176.1494 3 T 4.4168 8.4180 123.4320 63.8757 69.1124 172.7352 4 A 4.4909 7.9731 123.2305 52.5655 21.9882 177.2587 5 E 3.5329 8.6397 116.6574 58.8170 30.0933 178.7331 6 D 4.4057 8.1377 118.1869 57.3272 40.3866 178.5817 7 K 3.8646 8.8990 120.0325 59.3492 32.0452 179.2399 8 K 4.0311 8.0499 119.9516 59.1476 32.0958 179.0004 9 L 4.0020 7.7535 119.0691 57.9010 41.7453 179.4415 10 I 4.2178 8.2973 115.6276 64.6585 37.3526 178.8337 11 Q 4.1616 7.7781 121.9838 59.8261 27.7135 182.2979 12 Q 4.1331 7.8655 119.7820 59.3506 29.3103 177.6326 13 A 4.1361 8.5009 122.2346 54.9729 18.2480 179.4784 14 W 4.4796 8.7474 129.2214 61.5249 30.6944 178.5760 15 E 3.3867 8.0984 116.8343 60.9582 28.8872 180.7467 16 K 4.2097 7.7063 118.0397 59.7258 32.3842 178.8884 17 A 4.1583 7.6157 120.3731 54.9726 18.2383 179.0148 18 A 3.2854 7.1874 122.5970 55.2636 18.2941 178.9948 19 S 4.5257 6.9804 109.4704 58.5049 62.9398 178.6973 20 H 4.6637 8.1088 117.5344 55.4019 30.2893 175.6998 21 Q 4.0003 8.4217 120.0268 59.6203 28.6405 178.8571 22 E 4.0436 8.0790 118.4834 59.3830 29.4551 179.2920 23 E 3.9996 7.9446 117.9687 59.4896 29.7383 179.0981 24 F 4.6187 8.6984 118.3054 60.6031 38.9717 178.0035 25 G 3.6803 8.8591 105.4752 47.8530 0.0000 175.5945 26 A 4.0748 7.9630 123.2343 54.8411 18.3354 179.3818 27 E 3.9063 8.7580 118.0588 59.0944 29.6717 178.8112 28 A 3.9493 8.2853 121.0664 55.2579 18.4778 179.5903 29 L 3.5710 7.8567 117.2968 58.1385 41.7011 179.8960 30 T 4.0668 8.0788 115.6478 66.8075 68.4039 176.8891 31 R 3.8869 8.2183 120.0977 59.2570 30.0262 178.6853 32 M 4.0450 7.9792 117.9127 58.9206 31.9376 178.2619 33 F 4.4989 7.9768 118.1595 60.9439 38.8082 178.0026 34 T 3.9814 7.9087 114.5636 67.0075 68.4474 176.8384 35 T 3.9664 8.0608 116.6077 64.9130 69.9604 174.8371 36 Y 4.8824 8.1214 118.7213 54.4736 38.1326 173.8865 37 P 4.5441 0.0000 0.0000 65.0567 31.7616 177.5436 38 Q 4.0763 8.4761 115.8832 59.7297 28.1195 179.0143 39 T 4.2455 8.5762 111.4985 64.3496 68.7914 176.5746 40 K 4.1251 8.7165 122.0700 59.7867 31.7667 178.8513 41 T 3.9930 7.6542 115.5133 66.7727 68.3990 175.1596 42 Y 4.0319 8.1955 116.3629 58.3397 39.6502 175.4127 43 F 4.9199 8.3444 119.1155 55.6855 39.1851 174.5885 44 P 4.4335 0.0000 0.0000 65.2863 31.9859 177.7619 45 H 4.6299 8.5636 113.0102 56.6179 29.2612 175.3671 46 F 4.6454 7.8002 118.6437 56.7281 39.8105 174.6929 47 D 4.6941 8.9357 123.4018 53.1447 40.9419 175.7908 48 L 4.3949 8.2527 127.3579 55.0286 42.1385 177.2364 49 S 4.3527 7.8984 115.4463 57.5788 63.5419 173.4525 50 P 4.2726 0.0000 0.0000 65.5855 31.1502 177.2901 51 G 3.9920 7.8611 103.4433 45.1425 0.0000 173.8707 52 S 4.0803 8.2458 115.2160 58.8041 63.7642 175.0836 53 D 4.3722 8.6301 127.9463 57.3651 40.6420 178.9919 54 Q 3.6350 7.7666 118.1585 58.7736 28.6715 178.3593 55 V 3.7727 7.7328 121.4953 67.0927 31.5781 178.7534 56 R 4.0229 8.1168 120.1078 61.6037 28.6828 181.0089 57 G 3.8344 8.2829 106.6900 47.7152 0.0000 175.4746 58 H 4.5341 8.8409 121.1379 59.2122 30.0899 177.2929 59 G 3.9514 9.0882 110.7396 48.8609 0.0000 176.2717 *60 K 4.0946 8.2942 125.6666 59.3995 31.6699 181.4729 61 K 4.3112 7.7888 118.0569 59.2455 31.9744 179.5957 62 V 3.5807 8.1384 118.9107 66.2396 31.6009 178.2624 63 L 4.4185 8.3233 118.5860 57.4934 41.4421 179.9051 64 G 3.7186 8.0770 105.6371 47.6628 0.0000 175.6757 65 A 4.0198 8.0833 123.3767 54.9317 18.3448 179.6847 66 L 4.0016 8.0291 117.6508 57.7516 41.6569 179.9257 67 G 2.7175 7.8210 105.5648 47.6352 0.0000 175.3062 68 N 4.3711 8.0952 119.1566 55.7164 38.6495 176.9376 69 A 3.9586 7.6541 122.0031 54.9567 18.5547 179.2990 70 V 3.4760 7.6179 115.9576 66.1693 31.6031 178.0072 71 K 4.0751 7.7068 116.6932 58.3831 32.2999 177.4765 72 N 5.0661 7.9613 116.4152 52.5130 38.9197 176.4155 73 V 3.9371 7.8426 116.9473 63.5035 32.2566 175.9601 74 D 5.0322 8.2598 120.6499 52.3139 41.0435 175.7955 75 N 5.3775 7.9293 127.3139 53.5512 42.2881 176.0067 76 L 3.8921 7.8681 119.0155 57.8404 41.2830 178.4236 77 S 4.0979 8.2719 114.6062 62.4382 61.9866 176.6086 *78 Q 3.9105 7.9025 119.8424 58.6623 28.0362 178.8041 79 A 4.6164 7.6244 118.7875 54.9247 20.0739 178.1191 80 M 4.2803 7.9655 114.7046 55.2658 32.2238 177.8310 81 A 3.9995 7.4988 125.3151 56.4209 18.4925 180.6119 82 E 3.9685 8.1491 115.4702 61.3318 29.7505 181.3513 83 L 4.3341 7.8608 119.5909 57.6065 41.8028 179.5729 84 S 4.2135 8.3750 114.6687 61.2876 63.0659 176.0686 85 N 4.2126 8.0466 120.4726 56.2242 38.6691 176.6613 86 L 3.8971 7.8610 121.5865 58.6367 42.2359 178.7226 87 H 4.2262 8.4893 116.0730 59.0503 28.5326 177.3553 88 A 3.8256 8.6158 127.0002 55.0699 18.0020 179.7982 *89 Y 3.9592 7.6041 115.0772 59.8620 37.6809 179.7749 90 N 4.5452 8.1110 117.2175 56.0728 38.9314 176.7061 91 L 4.1929 8.2544 116.5110 54.8901 42.5555 177.0011 92 R 4.2957 7.9623 114.9379 56.2664 27.2165 176.9182 93 V 3.8856 8.2115 117.4353 62.3197 32.3638 174.9394 94 D 4.3377 9.0555 127.8448 53.6630 41.8118 175.0915 95 P 4.5419 0.0000 0.0000 65.8634 31.7330 178.4812 96 V 3.5847 8.1344 117.5506 66.1706 31.2282 177.8247 97 N 4.1411 8.1977 116.1630 55.9809 38.2400 177.3450 98 F 4.2097 7.7121 119.0182 60.3630 38.9215 177.7883 99 K 4.0427 7.8919 118.4008 59.2489 31.9245 179.3792 100 L 3.6653 7.5172 118.8145 57.6211 41.4863 179.1780 101 L 3.9785 7.9222 120.2054 58.2237 42.1507 179.0212 102 S 4.1732 8.1767 115.1745 61.7693 62.7135 176.5885 103 Q 4.0547 8.2406 122.1581 59.4124 28.8217 177.9982 104 C 4.1749 8.1132 117.3886 62.8237 28.2032 176.1555 105 I 3.7505 8.1285 121.7224 64.5327 36.6455 178.5544 106 Q 3.8852 8.1094 118.6390 58.7585 28.5212 178.8855 107 V 3.4422 7.8884 119.6053 65.7479 31.4960 178.2977 108 V 3.3608 7.6010 118.1158 65.8309 31.2513 178.0803 109 L 3.4798 7.3746 118.2969 57.4686 41.3493 179.3647 110 A 3.6467 7.4541 120.8214 54.9290 18.0256 179.8558 111 V 3.4063 7.4227 115.9205 65.9240 31.6615 177.2243 112 H 4.6515 7.5532 113.1226 56.6112 29.3782 176.1639 113 M 4.4731 8.2622 119.6432 53.9366 33.4026 177.4792 114 G 4.0754 8.7502 111.5766 46.3620 0.0000 177.4192 115 K 4.0678 8.9585 124.0929 57.5892 31.3425 176.3911 116 D 4.5652 8.3135 116.4534 56.7954 40.6680 176.6888 117 Y 4.4470 8.2842 123.2427 56.5410 37.3293 174.5789 118 T 4.1638 7.4662 115.0501 59.8276 71.7392 173.4888 119 P 4.1620 0.0000 0.0000 66.0620 31.2907 178.7748 120 E 3.9130 7.9970 116.5158 59.4209 29.4890 179.4526 121 V 3.5786 7.3545 117.9183 66.0350 31.4811 177.3093 122 H 3.7417 8.5328 119.4114 58.4951 29.6131 177.0040 123 A 3.9633 8.3018 122.4764 55.1739 18.2190 179.5149 124 A 4.0040 8.1072 119.3536 55.2911 18.3829 179.7016 125 F 3.9891 8.9224 119.7497 61.3585 39.4873 176.9237 126 D 4.4613 8.7665 118.1918 57.1718 40.8956 178.5124 127 K 4.1753 7.9602 120.0547 58.7585 32.0329 178.9465 128 F 4.0629 8.0837 120.8897 61.3997 39.1859 177.1672 129 L 3.5882 8.0696 118.9855 57.6776 41.2838 179.7155 130 S 4.0197 8.0510 114.0269 61.1821 62.9672 176.4767 131 A 3.8148 8.0627 124.6086 54.9454 17.9366 179.7489 132 V 3.2502 7.2035 115.5174 66.1694 31.6412 178.1055 133 S 3.7006 8.1415 114.9817 61.1760 62.4155 176.5574 134 A 3.8586 7.6824 123.5953 55.0948 17.9515 179.7695 135 V 3.5163 7.2669 114.5382 65.1748 31.6388 177.5211 136 L 4.1357 7.0108 117.2495 55.6634 41.5730 177.0995 137 A 4.9680 6.9915 120.7353 51.8458 19.3770 176.9432 138 E 4.1192 8.1475 122.1142 59.8869 29.9247 177.1625 139 K 4.3935 7.6355 116.6608 56.4731 32.3228 177.0078 140 Y 4.1540 7.8747 121.2374 58.8220 36.1196 177.1298 141 R 4.2906 7.9832 121.7324 56.6877 30.2600 173.5685 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 M 8.30 4.35 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2 L 8.44 4.20 0.00 1.78 1.62 1.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.42 4.42 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 1.21 0.00 0.00 4 A 7.97 4.49 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 5 E 8.64 3.53 0.00 2.01 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 0.00 2.40 2.39 0.00 6 D 8.14 4.41 0.00 2.74 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 7 K 8.90 3.86 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.57 0.00 0.00 3.26 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 8 K 8.05 4.03 0.00 1.95 1.99 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.35 7.81 9 L 7.75 4.00 0.00 1.96 1.75 0.99 0.80 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 10 I 8.30 4.22 1.51 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.57 0.95 0.00 0.00 11 Q 7.78 4.16 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 12 Q 7.87 4.13 0.00 2.11 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 13 A 8.50 4.14 1.33 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 0.00 0.00 14 W 8.75 4.48 0.00 3.62 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 15 E 8.10 3.39 0.00 2.12 1.89 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 2.27 2.22 0.00 16 K 7.71 4.21 0.00 1.83 2.04 0.00 1.44 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 17 A 7.62 4.16 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 18 A 7.19 3.29 0.58 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 19 S 6.98 4.53 0.00 3.53 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.11 4.66 0.00 1.40 2.33 0.00 5.82 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.42 4.00 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 22 E 8.08 4.04 0.00 1.98 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 2.41 2.39 0.00 23 E 7.94 4.00 0.00 2.00 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 2.33 2.25 0.00 24 F 8.70 4.62 0.00 3.07 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 25 G 8.86 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.96 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.76 3.91 0.00 2.25 2.13 0.00 0.00 0.00 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 2.36 0.00 28 A 8.29 3.95 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 29 L 7.86 3.57 0.00 1.76 1.63 0.93 0.92 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 30 T 8.08 4.07 4.41 0.00 0.00 0.00 0.00 0.00 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 31 R 8.22 3.89 0.00 2.01 1.92 0.00 3.08 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 32 M 7.98 4.04 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 33 F 7.98 4.50 0.00 3.13 3.03 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 34 T 7.91 3.98 4.35 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 1.20 0.00 0.00 35 T 8.06 3.97 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 0.34 0.00 0.00 36 Y 8.12 4.88 0.00 3.07 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 37 P 0.00 4.54 0.00 2.22 2.20 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 38 Q 8.48 4.08 0.00 2.32 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 39 T 8.58 4.25 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 40 K 8.72 4.13 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.35 1.83 7.81 41 T 7.65 3.99 4.35 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 0.94 0.00 0.00 42 Y 8.20 4.03 0.00 2.71 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.92 0.00 2.74 2.43 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 44 P 0.00 4.43 0.00 2.19 2.18 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 45 H 8.56 4.63 0.00 3.43 3.52 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.80 4.65 0.00 3.07 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 47 D 8.94 4.69 0.00 2.51 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 48 L 8.25 4.39 0.00 1.51 1.45 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.90 4.35 0.00 3.96 3.77 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 50 P 0.00 4.27 0.00 2.05 2.18 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 51 G 7.86 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 0.00 0.00 0.00 52 S 8.25 4.08 0.00 3.85 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 53 D 8.63 4.37 0.00 2.73 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 54 Q 7.77 3.63 0.00 1.70 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 55 V 7.73 3.77 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 1.12 0.00 0.00 1.07 0.00 0.00 56 R 8.12 4.02 0.00 1.87 1.94 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 57 G 8.28 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.84 4.53 0.00 3.68 3.68 0.00 5.81 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 59 G 9.09 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 0.00 0.00 0.00 *60 K 8.29 4.09 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 61 K 7.79 4.31 0.00 2.11 1.98 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.52 7.81 62 V 8.14 3.58 2.28 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 1.10 0.00 0.00 0.92 0.00 0.00 63 L 8.32 4.42 0.00 2.12 2.02 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.08 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.08 4.02 1.43 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 66 L 8.03 4.00 0.00 1.93 1.75 1.11 0.84 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 67 G 7.82 2.72 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 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.10 4.37 0.00 2.88 2.81 0.00 0.00 7.16 8.76 0.00 0.00 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 A 7.65 3.96 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 70 V 7.62 3.48 1.71 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 0.64 0.00 0.00 0.18 0.00 0.00 71 K 7.71 4.08 0.00 2.14 1.86 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.48 1.36 7.81 72 N 7.96 5.07 0.00 2.74 2.75 0.00 0.00 6.74 7.00 0.00 0.00 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 V 7.84 3.94 2.28 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 0.72 0.00 0.00 1.06 0.00 0.00 74 D 8.26 5.03 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.93 5.38 0.00 2.81 2.80 0.00 0.00 7.03 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.87 3.89 0.00 1.66 1.63 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.27 4.10 0.00 3.84 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 *78 Q 7.90 3.91 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 79 A 7.62 4.62 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 80 M 7.97 4.28 0.00 1.96 2.00 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 2.46 2.72 0.00 81 A 7.50 4.00 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 82 E 8.15 3.97 0.00 1.99 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 2.32 1.98 0.00 83 L 7.86 4.33 0.00 1.84 1.79 0.94 0.96 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 84 S 8.37 4.21 0.00 3.94 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 0.00 85 N 8.05 4.21 0.00 3.01 2.91 0.00 0.00 6.81 6.29 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 86 L 7.86 3.90 0.00 1.97 1.79 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.49 4.23 0.00 3.47 3.62 0.00 5.86 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 88 A 8.62 3.83 0.68 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 0.00 0.00 0.00 0.00 0.00 0.00 *89 Y 7.60 3.96 0.00 2.38 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 0.00 0.00 0.00 0.00 90 N 8.11 4.55 0.00 2.88 2.89 0.00 0.00 6.88 7.85 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 91 L 8.25 4.19 0.00 1.80 1.78 0.77 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.96 4.30 0.00 2.03 2.12 0.00 3.55 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 93 V 8.21 3.89 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 -0.12 0.00 0.00 0.89 0.00 0.00 94 D 9.06 4.34 0.00 2.76 2.71 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 95 P 0.00 4.54 0.00 2.17 2.17 0.00 3.49 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 96 V 8.13 3.58 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 0.95 0.00 0.00 0.96 0.00 0.00 97 N 8.20 4.14 0.00 2.37 2.46 0.00 0.00 6.97 7.84 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 98 F 7.71 4.21 0.00 3.21 2.98 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 99 K 7.89 4.04 0.00 1.83 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.61 7.81 100 L 7.52 3.67 0.00 1.60 1.16 0.43 -0.18 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 0.00 101 L 7.92 3.98 0.00 1.73 1.68 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.18 4.17 0.00 4.13 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 0.00 103 Q 8.24 4.05 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 104 C 8.11 4.17 0.00 3.22 3.09 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 0.00 105 I 8.13 3.75 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.35 1.14 0.00 0.00 106 Q 8.11 3.89 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 107 V 7.89 3.44 2.17 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 0.91 0.00 0.00 0.98 0.00 0.00 108 V 7.60 3.36 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 0.52 0.00 0.00 0.89 0.00 0.00 109 L 7.37 3.48 0.00 1.28 0.84 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.45 3.65 1.14 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 0.00 111 V 7.42 3.41 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 0.59 0.00 0.00 0.87 0.00 0.00 112 H 7.55 4.65 0.00 2.93 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.26 4.47 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 114 G 8.75 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.96 4.07 0.00 1.78 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.06 7.81 116 D 8.31 4.57 0.00 2.83 2.78 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 0.00 117 Y 8.28 4.45 0.00 2.90 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 0.00 118 T 7.47 4.16 4.19 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 1.20 0.00 0.00 119 P 0.00 4.16 0.00 2.14 2.12 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 120 E 8.00 3.91 0.00 1.98 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 2.38 2.34 0.00 121 V 7.35 3.58 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 1.01 0.00 0.00 0.91 0.00 0.00 122 H 8.53 3.74 0.00 2.66 3.31 0.00 5.71 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 0.00 123 A 8.30 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.11 4.00 1.48 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 0.00 0.00 125 F 8.92 3.99 0.00 3.48 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 0.00 126 D 8.77 4.46 0.00 3.11 2.88 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 0.00 0.00 0.00 127 K 7.96 4.18 0.00 2.02 1.85 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.65 7.81 128 F 8.08 4.06 0.00 2.92 2.88 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 0.00 0.00 0.00 129 L 8.07 3.59 0.00 1.70 1.66 1.19 0.84 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 0.00 130 S 8.05 4.02 0.00 4.01 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 0.00 131 A 8.06 3.81 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 0.00 132 V 7.20 3.25 1.73 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 0.58 0.00 0.00 0.08 0.00 0.00 133 S 8.14 3.70 0.00 3.91 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 0.00 134 A 7.68 3.86 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 0.00 135 V 7.27 3.52 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 0.77 0.00 0.00 0.93 0.00 0.00 136 L 7.01 4.14 0.00 0.80 1.16 0.76 0.57 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 0.00 137 A 6.99 4.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.15 4.12 0.00 1.96 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 2.26 2.28 0.00 139 K 7.64 4.39 0.00 1.59 1.65 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.31 7.81 140 Y 7.87 4.15 0.00 3.33 2.96 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 0.00 141 R 7.98 4.29 0.00 1.77 1.61 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.00 * Residues marked with a * may have inaccurate shift predictions.