NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2391 8.3344 116.7848 58.4981 65.3580 173.6451 -7 D 5.0985 7.5012 125.2322 51.6846 40.7348 174.4838 -6 P 4.0731 0.0000 0.0000 65.4948 32.2567 177.9243 -5 S 4.9929 8.2979 111.7798 59.0486 62.9069 174.8900 -4 S 4.7687 8.6337 116.7681 58.3609 63.5675 175.9279 -3 I 4.4434 7.7177 122.9411 62.8281 37.7551 177.5094 -2 N 4.6950 7.5569 115.7502 51.7846 39.8963 176.0779 -1 G 4.0127 7.8687 106.6102 44.7032 0.0000 172.3705 -7 G 4.4185 7.4912 113.6322 42.5846 0.0000 173.0838 -6 I 3.8231 9.2917 128.7228 63.2948 38.9567 177.0243 -5 V 4.6429 8.0179 115.2798 62.9486 32.0069 176.5900 -4 V 4.4187 8.3537 120.2681 62.2609 32.6675 177.6279 -3 A 4.5934 7.9577 126.8412 54.2281 18.0551 178.9094 -2 M 4.4350 7.4369 116.6502 54.0846 33.8963 177.1779 -1 T 4.4027 7.6887 111.4101 61.4032 68.2093 172.1705 8 G 3.9193 8.7654 110.6529 44.3293 0.0000 171.2939 9 K 4.0998 8.5869 121.0898 57.3288 31.3708 176.1616 10 D 4.4886 8.7722 126.3996 54.6587 38.5542 173.3150 11 C 4.7126 7.5402 111.7618 57.4248 32.6740 172.5905 12 V 5.0099 7.8778 111.9766 59.8159 35.5402 174.8868 13 A 4.6111 8.3439 122.6739 50.3623 22.0107 175.3611 14 I 5.0433 8.2351 121.1493 59.2546 40.8803 174.2370 15 A 4.8950 8.4588 128.9199 50.9676 22.3584 174.3956 16 C 5.3484 8.3219 113.1661 57.2739 33.0112 172.9166 17 D 4.8075 8.4995 119.8868 52.6572 41.2531 175.8414 18 L 5.0344 8.2458 114.7345 53.4793 43.5483 176.9090 19 R 4.6261 8.0460 119.7898 56.3695 31.2771 175.7170 20 L 4.4686 8.8028 126.3173 53.9224 45.2603 174.9555 21 G 4.6438 8.4227 113.8456 44.6703 0.0000 172.2804 22 S 4.6617 8.5507 112.9899 56.0508 62.6846 176.1887 23 Q 3.6644 8.6423 128.5830 56.4245 26.6725 176.4804 24 S 4.1640 8.8170 120.4294 61.7582 63.2295 174.2430 25 L 4.0548 7.8767 124.0733 54.2496 42.0592 176.0190 26 G 4.0060 8.5726 115.8498 45.5179 0.0000 172.6921 27 V 4.2162 8.5559 122.0277 63.3654 34.0036 175.8544 28 S 4.7200 7.6938 112.0953 56.6428 65.3669 173.1215 29 N 5.0125 8.8431 121.6711 52.6193 37.4252 174.4574 30 K 4.5849 8.1212 115.6190 56.6387 33.8765 177.0070 31 F 4.6164 8.5500 125.8093 57.2176 38.6224 173.9517 32 E 4.0275 8.2140 123.3464 55.5883 30.3186 176.4969 33 K 4.2571 8.3500 120.9790 55.9405 34.0277 174.9541 34 I 4.6859 6.9727 120.9395 59.4742 39.3870 174.8119 35 F 4.9728 9.2524 124.7503 56.0147 43.8178 173.3133 36 H 4.9674 7.4002 113.3505 54.1639 31.4613 172.5499 *38 Y 4.6956 7.9509 116.7259 58.7357 39.0343 174.9810 39 G 3.9893 8.2584 116.6325 47.2591 0.0000 173.1988 40 H 4.6263 8.8465 120.6936 55.2727 29.1748 174.7029 41 V 4.1952 7.3332 121.8550 61.8330 32.9966 174.5365 42 F 5.0397 9.2432 126.7311 55.7049 41.9872 174.5648 43 L 5.2793 9.4646 124.3636 53.5634 45.2563 175.1554 44 G 4.5386 9.4618 114.1825 44.8448 0.0000 172.3526 45 I 5.1477 8.8300 123.9578 59.6750 40.3432 175.1969 46 T 4.5196 8.8232 117.5513 60.4142 71.5844 172.8438 47 G 4.0996 8.7615 106.5335 44.1816 0.0000 173.1696 48 L 4.1656 8.8429 124.4288 54.8030 42.7297 178.2881 49 A 4.1855 10.2819 128.5850 55.9730 18.2606 179.0789 50 T 3.8092 8.0521 110.7094 65.4855 67.3024 175.6022 51 D 4.4685 8.1538 120.2596 56.7650 41.1248 178.6187 52 V 3.6581 7.9165 118.8961 66.3199 31.5899 178.2111 53 T 3.7974 8.3250 115.5068 67.0500 68.3256 176.6190 54 T 3.7877 7.9049 117.4670 66.8247 68.3972 176.6721 55 L 3.3724 8.1669 120.9952 57.4225 41.5298 179.0772 56 N 4.3390 7.7518 118.4275 56.1353 38.7710 176.8419 57 E 3.9626 8.0541 120.0373 59.3866 29.4015 179.0516 58 M 3.7108 7.7775 118.3520 58.6888 32.2416 178.4314 59 F 4.2898 7.8620 117.9441 60.0151 38.9652 177.8805 60 R 3.9672 7.9174 120.2274 58.8896 29.9578 177.6653 61 Y 4.0541 7.9280 119.2957 60.8613 38.7773 178.5001 62 K 4.2405 8.5522 119.7507 59.8065 32.3383 179.6292 63 T 3.9920 8.3965 110.3341 64.5240 68.5375 176.4326 64 N 4.4480 8.3308 119.6389 56.4563 38.7445 177.3405 65 L 4.0345 7.8146 119.7868 57.8682 41.6262 179.0797 66 Y 3.9927 8.3074 119.7541 60.5060 38.7130 178.0216 67 K 4.5277 8.2510 122.0132 59.0949 32.1235 178.8447 68 L 3.9883 7.7981 118.3499 57.3147 41.5283 179.3020 69 K 4.1355 7.6286 117.3074 59.2004 31.4166 178.9899 70 E 3.9018 8.3225 118.3698 56.7092 29.1176 177.2312 71 E 3.8775 8.1090 117.4143 56.4384 27.8014 174.1999 72 R 4.5443 7.1599 109.2283 55.1473 32.5198 173.6534 73 A 4.4270 8.4274 122.2677 51.3235 19.3833 177.6277 74 I 3.6862 8.1891 122.0672 61.1307 38.7127 175.7620 75 E 4.6120 8.3344 125.1132 54.1503 32.5805 175.4094 76 P 4.3517 0.0000 0.0000 66.2166 31.3275 178.7556 77 E 3.9927 8.1769 116.2991 59.7908 29.4637 179.4653 78 T 3.8665 7.8676 115.1826 66.5911 68.5455 176.2742 79 F 4.0341 8.5383 122.9287 61.4989 39.3029 177.0544 80 T 3.6642 8.0153 115.3071 66.8554 68.1962 176.3745 81 Q 3.9053 7.7388 119.4561 58.8794 28.6677 178.7442 82 L 3.8560 7.6169 121.2628 57.9966 42.0190 179.1987 83 V 3.3572 7.4542 118.5111 65.8276 31.3784 177.8282 84 S 4.0683 8.0457 113.1502 61.5612 62.2825 176.3199 85 S 4.1724 8.2936 117.1220 61.6379 62.4222 176.5854 86 S 4.1838 8.1485 118.0977 61.2254 62.8626 176.4041 87 L 4.2415 8.2624 121.9004 58.0697 41.4470 178.9354 88 Y 3.7986 8.2484 119.3021 60.2839 38.4142 177.5334 89 E 3.9962 7.9868 119.0903 58.0263 29.8594 177.1456 90 R 4.4275 7.5881 118.2425 55.2421 30.9047 178.0609 91 R 3.1731 7.2118 120.8667 58.9857 29.7683 177.0081 92 F 4.9016 7.1861 113.2915 56.7541 39.7125 176.3377 93 G 4.0531 7.5574 104.3631 43.8615 0.0000 172.5034 94 P 4.0182 0.0000 0.0000 62.5557 32.2801 175.6941 95 Y 4.1773 7.7778 117.0157 57.6069 38.9042 176.7038 96 F 4.6867 8.8759 124.5573 56.4950 37.9258 174.8362 97 V 5.0068 7.9200 114.7129 59.7141 36.5807 175.6761 98 G 4.1813 9.0782 108.5332 43.7614 0.0000 170.3497 99 P 4.9161 0.0000 0.0000 62.9203 32.9436 175.7842 100 V 4.4848 8.8964 121.6733 61.4043 35.0163 173.9222 101 V 5.1202 8.6314 127.0280 61.2150 33.7530 174.4011 102 A 4.7744 9.3047 128.1377 49.8152 22.9200 175.4100 103 G 4.3786 7.8279 107.7271 46.7554 0.0000 171.6711 104 I 4.6307 8.0879 120.2048 59.0543 39.5816 175.7257 105 N 5.0206 8.6786 121.1374 53.4393 38.8107 174.4825 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 -8 S 8.33 4.24 0.00 3.84 3.89 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 -7 D 7.50 5.10 0.00 2.75 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 -6 P 0.00 4.07 0.00 1.34 1.48 0.00 3.24 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.54 0.00 -5 S 8.30 4.99 0.00 4.17 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 -4 S 8.63 4.77 0.00 3.78 3.80 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 -3 I 7.72 4.44 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.88 0.00 0.00 -2 N 7.56 4.70 0.00 2.93 2.77 0.00 0.00 7.55 7.59 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 -1 G 7.87 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 0.00 0.00 0.00 -7 G 7.49 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 -6 I 9.29 3.82 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 1.01 0.91 0.00 0.00 -5 V 8.02 4.64 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 0.59 0.00 0.00 0.93 0.00 0.00 -4 V 8.35 4.42 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 0.85 0.00 0.00 0.93 0.00 0.00 -3 A 7.96 4.59 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 -2 M 7.44 4.44 0.00 2.21 2.03 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 2.61 2.47 0.00 -1 T 7.69 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 8 G 8.77 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 0.00 0.00 0.00 9 K 8.59 4.10 0.00 1.70 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.77 4.49 0.00 2.83 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 11 C 7.54 4.71 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 12 V 7.88 5.01 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 0.71 0.00 0.00 0.86 0.00 0.00 13 A 8.34 4.61 1.10 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 0.00 0.00 14 I 8.24 5.04 1.80 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 1.30 0.85 0.70 0.00 0.00 15 A 8.46 4.90 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 16 C 8.32 5.35 0.00 3.06 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 17 D 8.50 4.81 0.00 2.72 2.75 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 18 L 8.25 5.03 0.00 1.63 1.81 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.05 4.63 0.00 1.86 2.02 0.00 3.21 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 20 L 8.80 4.47 0.00 1.59 1.37 0.74 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.42 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.66 0.00 3.77 3.70 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 23 Q 8.64 3.66 0.00 2.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.82 4.16 0.00 3.97 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 25 L 7.88 4.05 0.00 1.74 1.75 0.92 1.04 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 26 G 8.57 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 0.00 0.00 0.00 27 V 8.56 4.22 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 0.77 0.00 0.00 0.97 0.00 0.00 28 S 7.69 4.72 0.00 3.84 3.63 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 29 N 8.84 5.01 0.00 2.85 2.86 0.00 0.00 5.86 7.13 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 30 K 8.12 4.58 0.00 1.69 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.55 4.62 0.00 3.16 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 32 E 8.21 4.03 0.00 1.60 1.59 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 2.22 2.24 0.00 33 K 8.35 4.26 0.00 1.61 1.95 0.00 1.74 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.52 7.81 34 I 6.97 4.69 1.72 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 1.20 0.78 0.99 0.00 0.00 35 F 9.25 4.97 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.40 4.97 0.00 1.87 1.89 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.70 0.00 2.72 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 39 G 8.26 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 40 H 8.85 4.63 0.00 3.34 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.33 4.20 1.77 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 0.67 0.00 0.00 0.66 0.00 0.00 42 F 9.24 5.04 0.00 3.14 2.93 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 0.00 0.00 0.00 43 L 9.46 5.28 0.00 2.05 1.80 1.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.46 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 0.00 0.00 0.00 0.00 45 I 8.83 5.15 2.11 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.17 1.04 0.00 0.00 46 T 8.82 4.52 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 nan 0.00 0.00 47 G 8.76 4.10 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 0.00 0.00 0.00 48 L 8.84 4.17 0.00 2.00 1.76 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.28 4.19 1.12 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 50 T 8.05 3.81 4.28 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 1.29 0.00 0.00 51 D 8.15 4.47 0.00 3.09 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 52 V 7.92 3.66 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 1.35 0.00 0.00 1.21 0.00 0.00 53 T 8.33 3.80 4.48 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 1.26 0.00 0.00 54 T 7.90 3.79 4.31 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 0.00 0.00 0.00 1.06 0.00 0.00 55 L 8.17 3.37 0.00 1.54 1.56 0.84 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.75 4.34 0.00 1.54 2.39 0.00 0.00 6.89 7.72 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 57 E 8.05 3.96 0.00 2.13 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 2.41 0.00 58 M 7.78 3.71 0.00 1.42 1.60 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 59 F 7.86 4.29 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.92 3.97 0.00 2.24 2.16 0.00 3.21 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 61 Y 7.93 4.05 0.00 3.17 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 62 K 8.55 4.24 0.00 1.97 1.97 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.54 1.64 7.81 63 T 8.40 3.99 4.21 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 1.01 0.00 0.00 64 N 8.33 4.45 0.00 2.99 2.87 0.00 0.00 6.87 6.13 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 65 L 7.81 4.03 0.00 1.78 1.76 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.31 3.99 0.00 3.19 3.15 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 67 K 8.25 4.53 0.00 2.17 1.98 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.56 7.81 68 L 7.80 3.99 0.00 1.83 1.70 0.89 0.97 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 69 K 7.63 4.14 0.00 1.60 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.62 7.81 70 E 8.32 3.90 0.00 1.63 1.74 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 1.60 1.47 0.00 71 E 8.11 3.88 0.00 2.08 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 2.23 2.19 0.00 72 R 7.16 4.54 0.00 1.97 2.00 0.00 2.82 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 73 A 8.43 4.43 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 74 I 8.19 3.69 1.03 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.24 0.65 0.00 0.00 75 E 8.33 4.61 0.00 2.05 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 2.41 2.38 0.00 76 P 0.00 4.35 0.00 2.19 2.17 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 77 E 8.18 3.99 0.00 2.08 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 2.42 2.48 0.00 78 T 7.87 3.87 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 1.24 0.00 0.00 79 F 8.54 4.03 0.00 3.00 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 80 T 8.02 3.66 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 1.17 0.00 0.00 81 Q 7.74 3.91 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 82 L 7.62 3.86 0.00 1.66 1.48 0.96 1.00 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 83 V 7.45 3.36 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 0.87 0.00 0.00 -0.47 0.00 0.00 84 S 8.05 4.07 0.00 3.87 3.94 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 0.00 0.00 0.00 85 S 8.29 4.17 0.00 4.09 4.10 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 86 S 8.15 4.18 0.00 4.20 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 87 L 8.26 4.24 0.00 1.90 1.76 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.25 3.80 0.00 3.16 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 89 E 7.99 4.00 0.00 2.11 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 2.28 2.33 0.00 90 R 7.59 4.43 0.00 1.71 1.67 0.00 2.89 0.00 0.00 2.82 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 91 R 7.21 3.17 0.00 0.67 0.98 0.00 2.64 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.19 4.90 0.00 2.99 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 93 G 7.56 4.05 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 0.00 0.00 0.00 94 P 0.00 4.02 0.00 1.84 1.80 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.80 0.00 95 Y 7.78 4.18 0.00 2.90 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 96 F 8.88 4.69 0.00 3.09 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 97 V 7.92 5.01 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 0.81 0.00 0.00 1.01 0.00 0.00 98 G 9.08 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.92 0.00 1.98 2.05 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 100 V 8.90 4.48 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 0.98 0.00 0.00 0.97 0.00 0.00 101 V 8.63 5.12 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 1.00 0.00 0.00 1.06 0.00 0.00 102 A 9.30 4.77 1.21 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 0.00 0.00 103 G 7.83 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 0.00 0.00 0.00 0.00 104 I 8.09 4.63 1.90 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 1.32 0.99 0.92 0.00 0.00 105 N 8.68 5.02 0.00 2.71 2.72 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.