NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7835 8.4244 118.2458 51.2495 38.2483 171.9380 8 Y 4.3429 7.4120 118.3900 58.3087 44.0268 170.8513 9 K 3.8153 5.6600 118.6129 58.3592 33.6759 177.3998 10 K 4.2308 6.6907 115.7216 55.2009 32.8922 174.9411 11 P 4.7260 0.0000 0.0000 62.6427 32.4357 175.6628 12 K 4.9625 8.8505 120.3903 54.8671 36.9651 175.0412 13 L 4.9591 8.8892 121.1796 53.2366 44.8761 176.0948 14 L 5.1181 8.6432 121.5402 53.4917 44.1969 174.4729 15 Y 4.9488 9.1410 126.5107 56.1222 40.7863 173.6797 16 C 4.4820 8.2041 127.8243 57.3736 33.2707 174.0309 17 S 4.1352 8.1948 120.0672 58.5417 63.2741 174.6534 18 N 4.2055 7.8847 120.2709 56.5548 38.6440 175.6043 19 G 3.9534 7.5748 102.0500 44.3747 0.0000 172.0976 20 G 3.6524 7.8526 106.0006 44.9879 0.0000 173.2110 21 H 5.1668 7.4492 114.7163 53.7130 33.2565 174.2288 22 F 5.3829 9.0262 119.9111 55.8646 40.9892 175.3533 23 L 4.4936 8.5767 125.3689 55.3852 42.8757 176.2305 24 R 4.8356 8.9497 125.1321 54.7336 33.8870 173.6188 25 I 4.5759 8.4087 126.7950 59.6600 39.2600 175.5204 26 L 4.3566 8.4095 127.5222 52.7468 42.8669 176.6471 27 P 4.2899 0.0000 0.0000 65.4718 31.3122 177.4213 28 D 4.4854 7.9660 115.2242 53.7223 40.0554 177.0165 29 G 4.0791 8.3008 109.2548 45.5565 0.0000 173.6483 30 T 4.5351 8.2308 117.0055 62.7426 69.4461 173.8544 31 V 4.9273 8.1520 123.6833 61.1790 34.7413 174.4944 32 D 4.5099 8.4902 126.5862 52.8690 43.0024 174.0470 33 G 4.6118 8.2418 103.6031 45.6367 0.0000 171.9471 34 T 5.0036 8.8106 114.1632 60.8285 70.9310 174.7257 35 R 4.1896 8.8020 124.0130 57.3012 30.9714 176.7429 36 D 4.5770 7.9765 118.0901 53.2348 39.6817 176.4414 37 R 3.8557 8.5005 126.0913 57.9498 30.2401 177.1869 38 S 4.4233 8.1674 112.1037 59.4010 63.8866 174.0829 39 D 4.3617 7.9217 121.9374 54.6595 41.1886 176.5697 40 Q 4.2556 8.5405 124.0491 57.2158 29.3492 175.9120 41 H 4.7341 8.7322 115.9746 55.6691 28.8671 176.0707 42 I 4.4517 7.1386 111.0303 60.6665 38.4502 175.3508 43 Q 4.3749 7.7504 121.8585 55.4414 30.0804 174.7630 44 L 5.1952 8.6415 123.0264 52.8404 46.5031 175.5176 45 Q 4.7164 9.0035 122.6281 54.4648 31.7547 174.5890 46 L 5.2462 8.7552 126.6311 53.6952 44.1153 176.0180 47 S 4.8727 8.4935 114.0075 57.2136 66.5483 172.6571 48 A 4.5712 8.6080 124.9018 51.2310 19.2241 175.8635 49 E 4.0067 9.1456 126.0842 57.7673 30.1144 180.0083 50 S 4.7137 7.8137 116.4757 57.0159 65.6157 173.1980 51 A 4.2313 8.6748 124.4308 53.7884 18.4452 177.6827 52 G 3.9687 9.1684 110.8970 46.0344 0.0000 171.7805 53 E 5.2763 7.9772 117.9002 54.4409 33.0647 175.3379 54 V 5.0477 8.6364 115.9149 60.0351 36.6307 173.9862 55 Y 4.9306 8.7828 119.5665 56.5722 41.4902 175.3091 56 I 4.6850 8.5291 121.2464 59.6981 40.8885 174.0957 57 K 4.6638 8.5555 128.3429 54.0916 35.4552 175.1452 58 G 4.0949 8.4660 114.5774 46.0224 0.0000 174.7876 59 T 3.9430 8.3787 116.2412 64.6577 69.0487 175.9820 60 E 4.0688 8.3162 122.4073 58.8084 30.0509 177.3208 61 T 4.0899 7.9376 107.0955 62.0876 69.6392 175.7464 62 G 3.8132 8.3427 108.4436 45.1770 0.0000 172.5368 63 Q 4.7829 7.5613 118.2479 54.5126 31.0878 174.4658 64 Y 4.9579 8.9251 120.7226 56.6744 40.0184 174.8629 65 L 4.4279 8.6678 125.8287 55.2839 43.4180 175.6377 66 A 4.9873 8.6366 126.2440 50.6431 23.3711 174.1753 67 M 5.4043 8.4566 118.7742 53.9970 34.9514 175.5195 68 D 5.0166 9.0432 126.4930 52.0849 41.6320 177.1969 69 T 4.1029 8.4475 108.3775 64.6085 68.7270 175.0050 70 E 4.1755 8.3238 119.4106 56.8362 30.0712 177.0499 71 G 3.5298 8.6248 108.2876 44.6513 0.0000 172.8733 72 L 4.8465 7.9680 119.5665 53.2004 43.9099 175.9216 73 L 5.1570 8.4679 121.7509 54.9200 43.0642 175.4746 74 Y 4.9515 8.7053 119.6340 56.3414 42.0501 173.1396 75 G 4.4135 8.9320 107.4459 44.5483 0.0000 173.1227 76 S 5.0844 8.8070 119.0854 56.2559 64.8583 175.1203 77 Q 4.1173 9.1162 124.6683 58.3154 29.0081 176.3291 78 T 4.6093 7.2281 112.9640 60.5269 71.1508 172.1301 79 P 3.9227 0.0000 0.0000 62.4338 31.9776 175.4698 80 N 4.8545 8.0846 118.2765 51.7849 40.0076 174.3315 81 E 3.9039 8.8086 117.5984 59.5331 29.8160 178.5959 82 E 4.0615 8.1771 117.1240 58.4124 29.6801 177.5532 83 C 4.8538 7.8941 114.8026 59.1201 28.9878 173.0586 84 L 4.2488 7.2887 123.6751 53.8511 43.4548 175.3341 85 F 5.2881 8.4948 122.8988 55.7635 43.9645 173.8843 86 L 4.8610 9.1739 122.0674 53.3312 43.0368 175.3555 87 E 4.5698 8.7627 126.2442 55.4542 30.8277 175.7284 88 R 4.5631 8.4165 125.9523 54.5745 33.9333 173.3745 89 L 4.8324 8.5577 128.5241 53.6666 42.9927 175.8822 90 E 4.3952 9.0541 127.5731 55.2662 30.7520 177.9552 91 E 3.8585 8.7444 120.3617 59.5868 29.5765 177.2879 92 N 4.5412 7.9930 112.3093 53.6257 37.5831 174.6026 93 H 4.1280 7.9069 114.8718 57.0991 26.4782 174.2973 94 Y 4.5501 7.6058 117.2177 56.7881 40.1862 173.9641 95 N 5.6399 8.7145 117.8513 51.9372 41.6301 174.5161 96 T 5.0815 8.5652 111.4559 60.1296 72.9987 172.3753 97 Y 5.1374 8.7022 119.1212 56.8048 41.6304 174.3595 98 T 4.9653 8.7260 121.3675 61.3702 71.3148 174.0771 99 S 4.0868 8.6784 121.3379 58.6675 62.6980 173.9076 100 K 3.9721 8.5154 128.8863 59.4679 32.1952 178.7947 101 K 3.8133 7.8960 117.9278 58.9370 32.2807 176.5581 102 H 4.6282 7.6549 115.3019 55.0643 29.5330 176.0863 103 A 3.9469 7.7733 125.7439 55.0549 18.2830 180.5609 104 E 4.0368 7.9899 112.2675 58.1993 29.6540 177.5046 105 K 4.2387 7.5112 117.4471 55.2761 33.1389 175.4013 106 N 3.8830 7.6531 115.3746 53.9298 36.5637 174.9551 107 W 4.8157 7.8125 118.0702 56.2317 30.4811 177.0348 108 F 5.4180 8.6163 123.8686 55.8385 40.5061 176.2502 109 V 3.9199 8.6264 121.9824 63.3988 31.9714 175.4841 110 G 4.3196 8.4513 112.1247 45.7076 0.0000 171.6629 111 L 5.1620 8.0662 120.3461 52.5147 44.7462 177.3314 112 K 4.2686 8.8582 122.9352 55.3832 33.0206 178.3551 113 K 3.9183 8.4736 119.6400 59.5136 31.9128 177.9901 114 N 4.5528 8.0397 113.3616 52.8320 37.3064 175.8600 115 G 3.6175 8.2033 109.3659 45.2268 0.0000 173.9920 116 S 4.4638 8.0720 114.8741 56.9821 64.4610 173.0323 117 C 4.7427 8.2555 116.4162 58.0536 30.0553 173.7250 118 K 4.2422 8.6628 122.0294 56.4768 32.7146 176.8228 119 R 4.2273 8.4869 122.0469 55.4159 31.2391 177.5246 120 G 3.4260 8.5123 113.8441 48.2685 0.0000 174.0830 121 P 4.2252 0.0000 0.0000 64.1807 31.3721 177.2733 122 R 4.4432 7.8713 116.4343 55.8116 30.2685 175.8477 123 T 4.7478 7.3687 108.7342 60.4606 70.6016 173.8019 124 H 5.2362 8.8440 119.6959 53.7976 33.0249 172.3716 125 Y 3.8564 8.9070 122.4056 59.5810 38.8546 176.3672 126 G 3.9620 8.1645 114.6412 45.5817 0.0000 174.0215 127 Q 4.1104 7.4984 118.9790 55.3009 29.3730 177.5557 128 K 3.7927 8.4264 120.2725 59.1968 32.4661 179.3747 129 A 3.7436 7.8020 121.6756 54.3009 18.4030 178.3873 130 I 4.2636 6.8103 105.8070 60.7844 38.2184 175.4678 131 L 4.3116 6.8463 122.6167 53.5869 42.4623 175.7929 132 F 5.2412 8.7409 121.6772 55.5648 43.3265 174.2047 133 L 5.0137 8.9482 122.5491 52.8092 45.1523 173.7563 134 P 5.1349 0.0000 0.0000 62.7625 31.8247 175.8372 135 L 4.9890 8.8893 124.0803 52.0477 45.7567 174.2750 136 P 4.7668 0.0000 0.0000 62.3558 32.0967 177.0514 137 V 3.5902 8.3621 119.3656 61.9510 32.3836 177.2319 *138 S 4.2715 8.4954 118.4750 58.4479 62.8314 172.9535 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 7 N 8.42 4.78 0.00 2.93 3.05 0.00 0.00 5.86 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 8 Y 7.41 4.34 0.00 2.91 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 9 K 5.66 3.82 0.00 0.79 1.24 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.29 7.81 10 K 6.69 4.23 0.00 1.89 1.77 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.64 7.81 11 P 0.00 4.73 0.00 1.92 2.01 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 12 K 8.85 4.96 0.00 1.69 1.82 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.63 7.81 13 L 8.89 4.96 0.00 1.70 1.73 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.64 5.12 0.00 1.60 1.68 0.52 0.82 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 15 Y 9.14 4.95 0.00 3.02 3.01 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 16 C 8.20 4.48 0.00 2.51 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 17 S 8.19 4.14 0.00 3.97 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 18 N 7.88 4.21 0.00 2.61 2.67 0.00 0.00 6.80 7.98 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 19 G 7.57 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 20 G 7.85 3.65 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 0.00 0.00 0.00 21 H 7.45 5.17 0.00 2.98 3.27 0.00 5.80 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 22 F 9.03 5.38 0.00 3.05 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 23 L 8.58 4.49 0.00 1.74 1.58 0.96 0.51 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 24 R 8.95 4.84 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 25 I 8.41 4.58 1.85 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 1.20 0.76 0.89 0.00 0.00 26 L 8.41 4.36 0.00 1.96 1.65 0.85 0.91 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 27 P 0.00 4.29 0.00 2.02 2.11 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 28 D 7.97 4.49 0.00 2.79 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 29 G 8.30 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 30 T 8.23 4.54 4.33 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 1.23 0.00 0.00 31 V 8.15 4.93 2.12 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 0.92 0.00 0.00 0.95 0.00 0.00 32 D 8.49 4.51 0.00 2.71 2.68 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 33 G 8.24 4.61 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 0.00 0.00 0.00 34 T 8.81 5.00 4.33 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 1.34 0.00 0.00 35 R 8.80 4.19 0.00 1.88 2.01 0.00 3.23 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.46 0.00 36 D 7.98 4.58 0.00 2.84 2.64 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 37 R 8.50 3.86 0.00 1.90 1.93 0.00 3.28 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.35 0.00 38 S 8.17 4.42 0.00 4.06 3.86 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 39 D 7.92 4.36 0.00 2.84 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 40 Q 8.54 4.26 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 41 H 8.73 4.73 0.00 3.34 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.14 4.45 1.86 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 1.00 0.00 0.00 43 Q 7.75 4.37 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 44 L 8.64 5.20 0.00 1.79 1.46 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.00 4.72 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 46 L 8.76 5.25 0.00 1.77 1.65 0.90 0.99 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 47 S 8.49 4.87 0.00 3.96 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 48 A 8.61 4.57 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 49 E 9.15 4.01 0.00 1.94 1.80 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 2.34 2.35 0.00 50 S 7.81 4.71 0.00 4.00 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 51 A 8.67 4.23 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 52 G 9.17 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 53 E 7.98 5.28 0.00 1.88 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 0.00 2.20 2.41 0.00 54 V 8.64 5.05 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 0.92 0.00 0.00 1.14 0.00 0.00 55 Y 8.78 4.93 0.00 3.09 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 56 I 8.53 4.69 1.73 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.72 0.00 0.00 57 K 8.56 4.66 0.00 1.24 1.31 0.00 1.07 0.00 0.00 0.92 0.00 0.00 2.65 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.88 0.29 7.81 58 G 8.47 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 0.00 0.00 0.00 59 T 8.38 3.94 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 1.16 0.00 0.00 60 E 8.32 4.07 0.00 1.90 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 2.26 2.16 0.00 61 T 7.94 4.09 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 1.24 0.00 0.00 62 G 8.34 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.56 4.78 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 64 Y 8.93 4.96 0.00 2.92 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 65 L 8.67 4.43 0.00 1.90 1.58 0.40 0.97 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 A 8.64 4.99 0.72 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 67 M 8.46 5.40 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 68 D 9.04 5.02 0.00 2.99 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 69 T 8.45 4.10 4.34 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 1.30 0.00 0.00 70 E 8.32 4.18 0.00 1.95 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 2.29 2.38 0.00 71 G 8.62 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 72 L 7.97 4.85 0.00 1.72 1.63 0.87 0.61 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 73 L 8.47 5.16 0.00 1.59 1.64 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.71 4.95 0.00 3.04 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 75 G 8.93 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 0.00 0.00 0.00 0.00 76 S 8.81 5.08 0.00 3.93 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 77 Q 9.12 4.12 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.47 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 78 T 7.23 4.61 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 1.15 0.00 0.00 79 P 0.00 3.92 0.00 1.58 0.96 0.00 3.48 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.01 0.00 80 N 8.08 4.85 0.00 2.85 2.88 0.00 0.00 5.90 7.66 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 81 E 8.81 3.90 0.00 2.01 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 2.32 2.30 0.00 82 E 8.18 4.06 0.00 2.15 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 0.00 2.44 2.39 0.00 83 C 7.89 4.85 0.00 3.29 3.24 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 84 L 7.29 4.25 0.00 1.59 1.32 0.08 0.75 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 85 F 8.49 5.29 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.17 4.86 0.00 1.60 1.64 0.91 0.82 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 87 E 8.76 4.57 0.00 2.09 1.85 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 2.09 2.01 0.00 88 R 8.42 4.56 0.00 1.89 1.72 0.00 3.47 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 89 L 8.56 4.83 0.00 1.69 1.59 0.94 1.05 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 90 E 9.05 4.40 0.00 2.16 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 2.34 2.34 0.00 91 E 8.74 3.86 0.00 1.94 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 2.31 2.35 0.00 92 N 7.99 4.54 0.00 3.01 2.97 0.00 0.00 6.13 7.90 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 93 H 7.91 4.13 0.00 3.27 3.43 0.00 5.83 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 94 Y 7.61 4.55 0.00 2.88 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 95 N 8.71 5.64 0.00 2.78 2.44 0.00 0.00 6.97 7.07 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 96 T 8.57 5.08 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 1.15 0.00 0.00 97 Y 8.70 5.14 0.00 2.90 2.81 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 0.00 0.00 0.00 0.00 98 T 8.73 4.97 4.30 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 1.12 0.00 0.00 99 S 8.68 4.09 0.00 4.10 4.06 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 0.00 100 K 8.52 3.97 0.00 1.76 1.62 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.30 7.81 101 K 7.90 3.81 0.00 1.61 1.65 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.98 1.29 7.81 102 H 7.65 4.63 0.00 3.07 2.42 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.77 3.95 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 0.00 104 E 7.99 4.04 0.00 2.00 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 2.11 2.16 0.00 105 K 7.51 4.24 0.00 1.08 1.42 0.00 1.02 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.08 7.81 106 N 7.65 3.88 0.00 2.92 2.83 0.00 0.00 6.92 7.31 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 0.00 107 W 7.81 4.82 0.00 3.25 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 0.00 108 F 8.62 5.42 0.00 2.98 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 0.00 109 V 8.63 3.92 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 0.53 0.00 0.00 0.82 0.00 0.00 110 G 8.45 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 0.00 0.00 0.00 0.00 111 L 8.07 5.16 0.00 1.34 1.46 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.86 4.27 0.00 1.93 1.68 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 113 K 8.47 3.92 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.38 7.81 114 N 8.04 4.55 0.00 2.79 2.90 0.00 0.00 6.23 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 0.00 115 G 8.20 3.62 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 0.00 116 S 8.07 4.46 0.00 4.01 3.98 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 0.00 117 C 8.26 4.74 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.24 0.00 1.80 1.76 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.38 7.81 119 R 8.49 4.23 0.00 1.61 1.61 0.00 3.05 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 120 G 8.51 3.43 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 0.00 121 P 0.00 4.23 0.00 1.88 2.10 0.00 3.09 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.00 122 R 7.87 4.44 0.00 1.82 1.87 0.00 3.29 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 123 T 7.37 4.75 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 1.34 0.00 0.00 124 H 8.84 5.24 0.00 3.24 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.91 3.86 0.00 3.10 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 0.00 126 G 8.16 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 0.00 0.00 0.00 127 Q 7.50 4.11 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 128 K 8.43 3.79 0.00 1.65 1.64 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.29 7.81 129 A 7.80 3.74 1.20 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 0.00 0.00 130 I 6.81 4.26 1.48 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.28 0.67 0.00 0.00 131 L 6.85 4.31 0.00 1.22 1.01 0.61 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.74 5.24 0.00 3.25 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 0.00 133 L 8.95 5.01 0.00 1.89 1.74 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.13 0.00 2.04 2.08 0.00 3.75 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 2.11 2.27 0.00 135 L 8.89 4.99 0.00 1.68 1.57 0.99 0.82 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 0.00 136 P 0.00 4.77 0.00 1.95 2.00 0.00 3.69 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 2.03 2.13 0.00 137 V 8.36 3.59 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 0.66 0.00 0.00 0.91 0.00 0.00 *138 S 8.50 4.27 0.00 3.60 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 * Residues marked with a * may have inaccurate shift predictions.