NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.5875 8.1701 115.5184 62.4471 68.8656 172.0406 7 A 4.5010 8.0870 124.0563 50.3024 22.5188 172.3285 8 E 4.9639 8.9831 116.9132 55.0108 32.1983 173.4456 9 V 4.5603 9.5186 125.1645 59.5217 35.2653 174.7520 10 I 4.6894 8.2602 123.1108 60.8949 38.2800 175.5236 11 L 4.6689 8.7929 127.0408 53.7342 44.5513 176.9576 12 G 4.0210 9.9714 115.1664 46.8112 0.0000 174.2503 13 G 3.9709 8.5831 104.9683 44.9112 0.0000 173.5298 14 K 4.7110 7.4280 117.5074 54.6769 36.4251 175.5901 15 V 4.3321 8.3861 122.0767 62.8078 32.0535 175.1604 16 I 4.6852 9.4295 129.2580 59.3946 40.9060 174.4089 17 K 5.0931 8.5628 123.4708 54.9976 34.4686 176.3076 18 L 4.6076 9.3918 125.6137 52.0307 43.2671 176.0491 19 G 3.7116 8.5045 111.9026 46.8276 0.0000 170.5822 20 G 4.0739 9.1041 109.7451 45.7529 0.0000 173.4081 21 Y 4.1742 7.6095 117.0801 56.8639 36.7860 174.9589 22 E 3.9903 8.6160 126.9846 58.2500 30.2178 177.1218 23 S 4.5289 7.7318 111.8171 55.4584 63.5074 173.3683 24 E 4.1839 8.6674 129.4908 58.2958 29.5757 177.6047 25 E 4.0109 8.2663 119.4537 59.5538 29.7123 177.9696 26 Y 4.0766 7.9247 119.5673 60.6706 38.9933 177.1787 27 L 4.1110 8.3144 121.3153 58.5670 42.0572 178.9814 28 Q 4.0506 8.6579 118.0788 58.3777 28.6266 178.3674 29 R 3.8860 7.9593 119.3729 59.3597 30.1371 179.1654 30 V 3.4038 7.9383 117.7516 65.8898 31.5573 177.3770 31 A 3.9047 7.7741 120.3418 55.5713 18.1745 179.2500 32 S 3.9914 8.1645 111.0007 62.0406 62.1493 176.1567 33 Y 4.1431 7.7965 121.6437 60.6289 38.5571 178.1576 34 I 3.5071 7.7267 120.8206 64.3471 37.4547 178.0993 35 N 4.3325 8.4774 117.7234 56.3929 38.2573 177.2704 36 N 4.3102 8.1538 117.9357 55.9563 38.4718 177.6709 37 K 3.5417 7.4047 118.5658 59.5072 32.2965 179.1634 38 I 3.7876 7.4936 119.7391 65.1557 36.7984 178.5336 39 T 3.9463 7.3839 114.9153 66.5037 68.7722 176.7771 40 E 3.9981 8.1790 120.3999 59.0140 29.3738 179.3949 41 F 4.2611 8.0609 118.6384 60.3052 38.6860 177.3657 42 N 4.5675 7.7746 114.4398 55.4627 38.3612 177.2101 43 K 4.1449 7.4094 119.0107 57.7859 32.5327 177.0500 44 E 4.3827 7.6416 119.4636 55.3669 30.4846 177.2644 45 E 4.0847 8.8386 124.3679 59.0306 29.5506 178.9528 46 S 4.1620 8.0451 113.6006 61.4383 63.1081 175.5630 47 Y 4.0262 7.9332 121.7983 60.6532 38.8870 177.3492 48 R 4.0758 7.8797 117.5485 58.8910 31.1534 177.5785 49 R 4.1362 7.6612 118.8545 55.5296 29.6387 176.4458 *51 S 4.1727 7.5903 112.8908 58.0353 65.9834 174.0431 52 A 3.8778 8.1624 123.8631 55.0455 18.2038 179.6910 53 E 3.7906 7.9797 117.6723 59.3486 29.5749 178.5521 54 L 3.9806 8.0070 119.4679 57.5715 42.1902 178.6785 55 R 3.4973 7.2198 117.1813 58.9001 29.9184 178.7028 56 T 3.7821 7.2469 114.4855 65.8629 69.9391 174.2583 57 D 4.3767 7.2172 122.7140 54.4623 38.8012 176.5394 *60 Y 4.9511 7.6142 120.3519 58.1007 40.6185 177.8157 61 L 4.1587 8.3820 119.7714 58.5725 41.6670 178.4856 62 N 4.4798 8.5171 116.5101 56.4611 38.7395 176.2594 63 I 3.8918 8.0405 120.0775 64.8703 37.4129 178.2235 64 A 4.2056 8.8910 121.7550 54.9646 18.1671 179.0444 65 D 4.4624 8.6010 116.9034 57.9544 41.3295 178.0943 66 D 4.4751 8.2280 119.2362 57.8297 40.7902 178.3918 67 Y 4.3143 7.8964 119.6234 60.3169 38.7247 177.5282 68 F 3.7350 8.2974 118.1813 60.2142 39.0879 177.6064 69 K 4.0853 8.7512 117.3445 58.7324 31.6886 178.8811 70 A 4.2116 7.2992 119.8588 54.6959 18.9178 179.5074 71 K 4.0685 7.7652 116.3987 58.1076 31.8643 177.9255 72 K 4.3908 7.4255 118.9285 56.7716 32.4776 178.0360 *74 A 4.2484 7.8908 121.3961 51.8508 20.2531 179.6122 75 D 4.4385 7.8346 115.6381 57.5241 40.5349 179.3161 76 S 4.2240 8.1391 114.0409 60.8222 63.0531 175.6607 77 L 4.4334 7.6979 120.0726 55.0663 41.6494 178.1685 78 S 3.9369 8.5250 114.2449 60.5411 62.2872 175.6284 79 L 3.9928 7.5500 122.2270 58.2751 41.8950 178.5281 80 D 4.5045 7.6564 117.7440 56.4990 40.5932 178.1558 81 I 4.0348 7.3510 119.0880 63.1808 37.7252 177.7958 82 E 4.0341 8.0067 119.1539 59.2959 29.5270 178.8262 83 N 4.4107 8.2715 116.7135 56.0034 38.6135 177.5156 84 K 4.2056 8.1996 119.8962 59.0760 32.0168 179.0544 85 D 4.4658 8.4644 119.4843 56.7903 40.8021 178.4641 86 K 4.1523 8.0784 118.7700 58.3576 32.3764 178.5331 87 E 4.1329 7.7786 118.4278 58.5782 29.5622 178.6364 88 I 3.7255 7.8741 120.2134 64.4544 36.9799 177.6136 89 Y 4.0058 7.5111 118.6539 60.9384 39.0017 177.5946 90 D 4.4382 8.1842 119.3289 56.8897 41.0519 178.5211 91 L 3.8756 7.9042 120.5031 58.2225 42.2378 179.0093 92 K 3.8762 8.4526 118.7302 59.7054 32.0026 178.0896 93 H 4.3773 7.9243 114.7277 57.1076 29.3742 176.8796 94 E 3.9813 8.0244 120.8608 58.4686 29.3611 178.0061 95 L 4.1923 7.7170 119.3019 56.9163 42.7186 178.2780 96 I 3.6900 7.3012 119.3393 63.8720 37.0374 177.9217 97 A 3.9412 8.0209 121.5323 55.4363 18.2762 179.6833 98 A 4.0243 7.7483 118.8381 54.8146 18.1829 179.6274 99 Q 3.9253 7.8172 117.8766 59.1881 29.4969 177.7862 100 I 4.6405 7.5837 121.9138 63.7349 37.0415 178.1324 101 K 3.8449 8.0082 120.0692 59.6388 31.9053 178.6657 102 A 3.9791 7.9512 120.5932 54.8798 18.1834 179.2603 103 E 4.0337 8.0452 117.4840 58.9641 29.5633 178.9576 104 S 4.3146 7.9462 113.4827 60.8237 63.4492 176.5693 105 S 4.1157 8.3812 119.3552 61.3115 62.6007 176.2349 106 A 4.0699 7.8192 123.6691 54.6085 18.0982 179.5375 107 K 3.8523 7.8693 117.4381 59.6447 32.5024 178.3276 108 E 4.9306 7.8225 120.8411 59.0418 29.6305 178.7124 109 I 3.6984 7.7870 119.8653 64.5050 36.9527 178.5874 110 K 4.0764 7.8494 117.9710 59.4472 32.1344 178.8190 111 E 4.0811 8.4611 119.9174 58.7514 29.5312 178.7341 112 L 3.9864 7.9365 118.1632 58.3895 41.4444 180.0405 113 K 4.0645 8.0785 117.4549 58.9938 31.8171 179.0016 114 S 4.0431 8.0069 113.1616 60.5333 62.5416 175.7267 115 E 3.8493 8.0997 120.9550 59.4936 29.2695 179.1831 116 I 4.2212 7.8404 119.5616 63.9855 37.2001 177.9176 117 N 4.3292 7.7889 117.9023 56.8662 38.7567 176.3539 118 K 3.6804 8.3577 119.7656 60.5430 32.1215 178.6015 119 Y 4.2380 8.5771 116.9281 61.1263 37.7424 179.0284 120 Q 4.1097 7.9616 118.6711 58.4547 28.9641 178.4326 121 K 3.9340 8.1467 119.4931 59.6621 32.2429 178.8124 122 N 4.2644 8.3075 117.1879 56.9171 38.7539 176.6831 123 I 3.9347 7.9372 120.9222 63.6736 36.8914 178.3713 124 V 3.6898 7.5722 119.4398 65.6424 31.3912 178.0647 125 K 3.6960 8.2952 118.3510 59.1681 31.7570 179.0526 126 L 4.1399 7.3984 118.3514 57.2653 41.8057 178.4776 127 E 4.2813 8.0702 114.7770 57.8030 29.3331 177.6003 128 T 4.3996 7.3305 115.1561 65.2072 70.2747 175.7359 129 E 3.9112 7.8937 119.5075 59.1557 29.4637 178.1118 130 L 4.2645 7.5649 118.6214 57.1359 42.8414 177.6829 131 N 4.4132 8.2322 116.0859 56.9981 38.3436 176.8080 132 D 4.5247 7.5068 118.6353 57.0977 40.9527 177.3953 133 S 4.1803 7.8674 117.3955 58.4809 63.2142 173.5788 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 6 T 8.17 4.59 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 7 A 8.09 4.50 1.32 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 8 E 8.98 4.96 0.00 1.88 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 2.16 2.35 0.00 9 V 9.52 4.56 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 0.69 0.00 0.00 0.91 0.00 0.00 10 I 8.26 4.69 1.85 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 1.33 0.53 0.97 0.00 0.00 11 L 8.79 4.67 0.00 1.59 1.51 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.97 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 13 G 8.58 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 14 K 7.43 4.71 0.00 1.87 1.86 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.49 7.81 15 V 8.39 4.33 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 16 I 9.43 4.69 1.82 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 1.21 1.08 0.88 0.00 0.00 17 K 8.56 5.09 0.00 1.60 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.42 7.81 18 L 9.39 4.61 0.00 1.28 1.36 0.73 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.50 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 0.00 0.00 0.00 20 G 9.10 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 4.17 0.00 2.92 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 3.99 0.00 1.87 1.92 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 2.28 2.27 0.00 23 S 7.73 4.53 0.00 3.88 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 24 E 8.67 4.18 0.00 2.14 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 2.41 2.40 0.00 25 E 8.27 4.01 0.00 2.12 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 2.44 2.41 0.00 26 Y 7.92 4.08 0.00 3.09 3.17 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 27 L 8.31 4.11 0.00 2.25 1.86 0.33 0.37 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 28 Q 8.66 4.05 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 29 R 7.96 3.89 0.00 1.99 1.84 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 30 V 7.94 3.40 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 1.01 0.00 0.00 0.19 0.00 0.00 31 A 7.77 3.90 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 32 S 8.16 3.99 0.00 4.06 4.15 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 33 Y 7.80 4.14 0.00 3.02 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 34 I 7.73 3.51 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 0.90 0.00 0.00 35 N 8.48 4.33 0.00 2.66 2.84 0.00 0.00 7.09 6.52 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 36 N 8.15 4.31 0.00 2.65 2.77 0.00 0.00 6.99 7.34 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 37 K 7.40 3.54 0.00 1.75 1.52 0.00 1.10 0.00 0.00 1.45 0.00 0.00 2.56 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.09 1.12 7.81 38 I 7.49 3.79 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.95 0.00 0.00 39 T 7.38 3.95 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 1.16 0.00 0.00 40 E 8.18 4.00 0.00 1.70 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 2.33 2.33 0.00 41 F 8.06 4.26 0.00 2.65 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.57 0.00 2.84 2.91 0.00 0.00 7.08 7.38 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 43 K 7.41 4.14 0.00 1.98 1.86 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.62 7.81 44 E 7.64 4.38 0.00 2.22 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 2.33 2.45 0.00 45 E 8.84 4.08 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 2.39 2.38 0.00 46 S 8.05 4.16 0.00 4.09 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 47 Y 7.93 4.03 0.00 2.91 3.22 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 48 R 7.88 4.08 0.00 1.87 2.05 0.00 3.27 0.00 0.00 3.58 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 49 R 7.66 4.14 0.00 2.00 1.89 0.00 3.19 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 *51 S 7.59 4.17 0.00 4.00 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 52 A 8.16 3.88 1.26 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 0.00 0.00 0.00 53 E 7.98 3.79 0.00 2.00 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 2.32 2.32 0.00 54 L 8.01 3.98 0.00 1.51 1.50 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.22 3.50 0.00 1.46 0.99 0.00 2.21 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.58 0.00 56 T 7.25 3.78 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57 D 7.22 4.38 0.00 2.86 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 *60 Y 7.61 4.95 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 61 L 8.38 4.16 0.00 1.78 1.83 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.52 4.48 0.00 3.13 2.99 0.00 0.00 7.15 7.88 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 63 I 8.04 3.89 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 1.16 0.00 0.00 64 A 8.89 4.21 1.62 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 0.00 0.00 65 D 8.60 4.46 0.00 3.18 2.80 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 0.00 0.00 0.00 66 D 8.23 4.48 0.00 3.28 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 67 Y 7.90 4.31 0.00 2.99 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 68 F 8.30 3.73 0.00 3.21 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 69 K 8.75 4.09 0.00 1.72 1.90 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.74 1.65 7.81 70 A 7.30 4.21 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 71 K 7.77 4.07 0.00 1.07 1.69 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.57 7.81 72 K 7.43 4.39 0.00 2.08 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 *74 A 7.89 4.25 1.32 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 75 D 7.83 4.44 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 76 S 8.14 4.22 0.00 4.02 4.20 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 77 L 7.70 4.43 0.00 1.74 1.73 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.52 3.94 0.00 4.12 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 79 L 7.55 3.99 0.00 2.04 1.74 0.92 1.18 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 80 D 7.66 4.50 0.00 2.70 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 81 I 7.35 4.03 2.02 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 1.52 0.91 0.91 0.00 0.00 82 E 8.01 4.03 0.00 2.00 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 0.00 2.38 2.38 0.00 83 N 8.27 4.41 0.00 2.79 2.86 0.00 0.00 6.98 7.73 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 84 K 8.20 4.21 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 85 D 8.46 4.47 0.00 2.84 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 86 K 8.08 4.15 0.00 2.00 1.86 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.70 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.38 1.54 7.81 87 E 7.78 4.13 0.00 2.32 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 2.31 2.36 0.00 88 I 7.87 3.73 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.41 0.96 0.00 0.00 89 Y 7.51 4.01 0.00 2.92 3.13 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 0.00 0.00 0.00 90 D 8.18 4.44 0.00 2.90 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 91 L 7.90 3.88 0.00 2.10 1.65 0.92 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.45 3.88 0.00 2.01 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.70 7.81 93 H 7.92 4.38 0.00 3.06 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.02 3.98 0.00 2.31 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 2.30 2.31 0.00 95 L 7.72 4.19 0.00 1.72 1.60 0.91 1.05 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 96 I 7.30 3.69 1.87 0.00 0.00 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 1.37 0.89 0.84 0.00 0.00 97 A 8.02 3.94 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 98 A 7.75 4.02 1.32 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 99 Q 7.82 3.93 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 100 I 7.58 4.64 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.90 0.00 0.00 101 K 8.01 3.84 0.00 1.89 2.00 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.51 7.81 102 A 7.95 3.98 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 0.00 103 E 8.05 4.03 0.00 2.26 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 2.30 2.30 0.00 104 S 7.95 4.31 0.00 4.04 4.11 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 0.00 105 S 8.38 4.12 0.00 3.97 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 0.00 106 A 7.82 4.07 1.35 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 0.00 0.00 107 K 7.87 3.85 0.00 1.78 2.01 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.45 7.81 108 E 7.82 4.93 0.00 2.09 2.16 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 2.31 2.22 0.00 109 I 7.79 3.70 2.03 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 1.53 1.12 0.91 0.00 0.00 110 K 7.85 4.08 0.00 1.96 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.62 7.81 111 E 8.46 4.08 0.00 2.19 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 2.33 2.60 0.00 112 L 7.94 3.99 0.00 1.70 1.79 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.08 4.06 0.00 2.13 1.87 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 114 S 8.01 4.04 0.00 3.91 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 0.00 115 E 8.10 3.85 0.00 2.29 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 2.41 2.40 0.00 116 I 7.84 4.22 1.92 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 1.53 1.26 0.97 0.00 0.00 117 N 7.79 4.33 0.00 2.77 2.96 0.00 0.00 7.09 6.56 0.00 0.00 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 K 8.36 3.68 0.00 1.72 1.34 0.00 1.87 0.00 0.00 1.33 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 119 Y 8.58 4.24 0.00 2.97 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 0.00 120 Q 7.96 4.11 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 121 K 8.15 3.93 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 122 N 8.31 4.26 0.00 2.92 3.02 0.00 0.00 7.34 7.34 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 0.00 123 I 7.94 3.93 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.93 0.00 0.00 124 V 7.57 3.69 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 1.04 0.00 0.00 0.94 0.00 0.00 125 K 8.30 3.70 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.69 7.81 126 L 7.40 4.14 0.00 1.97 1.71 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.07 4.28 0.00 1.96 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 2.35 2.56 0.00 128 T 7.33 4.40 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 0.00 129 E 7.89 3.91 0.00 2.19 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 2.34 2.35 0.00 130 L 7.56 4.26 0.00 1.66 1.89 0.92 1.36 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 0.00 131 N 8.23 4.41 0.00 3.01 2.87 0.00 0.00 7.11 8.08 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 0.00 132 D 7.51 4.52 0.00 2.58 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 0.00 133 S 7.87 4.18 0.00 3.94 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.