NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3000 8.2549 119.6974 56.3703 31.3907 174.4536 3 H 5.0941 8.7666 118.7408 53.6685 31.9761 171.3546 4 I 4.5549 8.3982 122.1045 59.9878 39.3491 176.9612 5 S 4.5964 9.4811 121.1445 57.0378 65.4822 173.7233 6 P 4.2877 0.0000 0.0000 65.7917 30.9420 178.9356 7 E 4.0758 8.1559 116.8905 59.0996 29.3596 179.1397 8 E 3.9928 8.1464 118.7409 59.1793 29.6036 178.8778 9 L 3.9757 7.9416 120.4156 58.1331 42.0520 179.0089 10 I 3.6720 7.8603 119.5166 64.3875 37.0028 178.1824 11 A 3.9880 7.7217 121.2347 55.1548 18.3035 179.3592 12 L 3.9012 8.6010 119.1569 58.4624 42.1358 178.7673 13 H 4.0936 8.2957 118.0815 59.4601 29.9592 176.8599 14 D 4.4215 8.4417 120.7184 57.5809 40.5583 178.9074 15 A 4.0558 8.4109 121.4043 54.9677 18.2967 179.2581 16 N 4.4689 8.1008 115.7091 56.8801 39.0722 177.3150 17 I 3.9149 7.8887 121.3550 64.4359 36.9618 178.3504 18 S 4.1025 7.8844 113.0421 61.0468 62.2388 175.6700 19 R 3.9871 7.6376 120.2354 58.3983 30.1592 177.0362 20 Y 4.5899 8.0586 114.1562 56.4739 39.5281 175.3644 21 G 4.0978 7.8193 105.5951 43.9271 0.0000 172.7000 22 G 4.0566 8.2869 105.9091 42.5984 0.0000 172.9444 23 L 4.2308 8.3196 123.1942 53.2070 41.2534 174.0933 24 P 4.2875 0.0000 0.0000 65.3633 32.3189 177.6119 25 G 3.7100 7.6095 110.7748 44.6357 0.0000 173.7643 *27 S 4.0787 7.5648 112.5310 58.5996 63.7912 173.7075 28 D 4.6674 8.7750 127.0696 52.1328 41.2978 175.1529 29 P 4.3583 0.0000 0.0000 65.9130 31.2947 178.7667 30 G 3.6532 8.2098 103.7430 47.7405 0.0000 175.9768 31 R 3.9897 8.0568 120.0767 58.7572 30.0783 178.5822 32 A 3.9786 7.9506 120.1177 55.4883 18.3789 179.1273 33 E 3.8631 8.5442 116.8869 59.7437 29.4957 179.7891 34 A 3.9603 7.7811 120.1281 55.0227 18.4810 179.7715 35 I 3.5952 8.0309 118.6513 64.6268 37.2281 178.7985 36 I 3.7142 8.0204 120.8615 64.1000 36.8852 178.3971 37 G 3.7597 8.1762 106.9071 48.0256 0.0000 175.4259 38 R 3.7966 7.9193 121.4403 58.9139 30.2111 178.6905 39 V 3.3006 7.5758 117.8072 66.0504 31.5881 177.6937 40 Q 3.8321 8.4372 119.3081 59.1680 28.8017 178.1992 41 A 4.0540 8.2994 122.2373 54.8542 18.3413 179.6214 42 R 3.8791 8.1154 117.5535 59.3068 30.1092 178.9429 43 V 3.5405 7.6757 117.4741 66.0046 31.3983 177.8710 44 A 3.9952 7.8182 120.0237 55.2543 17.9820 179.0875 45 Y 3.9376 7.8350 117.3189 60.7481 38.9656 176.2505 46 E 4.2815 8.5273 116.1197 55.3129 30.1010 176.1695 47 E 3.8233 7.3771 116.4701 57.3538 27.5078 175.6281 48 I 4.0922 7.7530 118.7474 61.2420 38.2612 176.7947 49 T 4.4347 8.3628 114.3743 62.1964 71.0804 174.8655 50 D 4.4833 7.9856 122.1974 53.9941 42.2509 176.7517 51 L 4.1941 8.5404 127.1156 57.8175 41.6811 179.4211 52 F 4.2993 7.9694 117.4870 60.1653 39.0033 177.4840 53 E 4.0237 8.2595 117.6897 59.5015 29.3311 179.5438 54 V 3.5055 7.7365 117.8246 65.8749 31.6229 177.9690 55 S 4.0505 8.5187 112.9725 61.4744 62.3486 175.9270 56 A 4.0971 8.5665 123.8341 55.6600 18.1122 179.7847 57 T 3.8383 7.9922 114.2067 66.8422 68.4579 176.6148 58 Y 3.8999 7.8530 118.8365 60.7465 37.7767 178.3384 59 L 4.1316 7.8651 121.1582 58.1428 42.2876 179.2826 60 V 3.5208 7.9165 117.8798 65.9042 31.3358 177.5241 61 A 3.9660 7.5417 118.9791 55.7265 18.3868 179.5626 62 T 3.9572 8.0181 113.6042 66.6884 68.3652 176.6854 63 A 4.0154 8.0230 121.7406 55.0112 18.3753 179.0960 64 R 4.4542 7.7191 113.0962 56.1010 30.5936 177.6378 65 G 3.6792 8.1036 109.5863 45.8185 0.0000 174.0003 66 H 4.0718 8.0793 115.9153 56.9064 26.1920 175.0356 67 I 3.8035 7.6052 120.7621 64.2889 37.6402 176.6889 68 S 4.5698 7.5053 111.6206 57.4718 65.1719 173.0786 69 N 4.6034 8.6843 117.4318 54.8866 37.6832 173.7330 70 D 4.5953 7.9716 115.9772 53.5839 42.7889 174.8749 71 A 3.6829 8.6711 118.6374 53.6629 16.3166 179.7281 72 N 4.4303 7.7251 116.9763 57.8462 38.5812 177.5369 73 K 3.9703 8.0265 119.3946 59.4330 32.0212 179.5197 74 R 3.7909 7.8084 117.7138 59.7199 30.1257 178.8988 75 T 3.8352 8.0139 115.2191 66.5531 68.3039 176.4996 76 A 3.9781 8.0991 122.5659 55.1074 18.4967 179.4797 77 L 3.8924 7.8404 118.7104 58.4825 42.2507 178.9295 78 N 4.3526 8.4449 117.0124 56.2062 38.4172 177.6357 79 S 4.0507 8.4372 115.8304 61.1739 62.9259 176.2370 80 A 3.9560 8.1659 124.5572 55.1623 18.3269 179.7225 81 L 3.9394 8.1057 116.7250 57.0087 41.5539 179.6335 82 L 3.8426 7.7832 121.0521 57.9312 41.9407 178.2992 83 F 3.9271 7.9343 120.6646 61.4934 39.1154 177.0481 84 L 3.6183 7.5832 118.1191 57.7847 41.3166 179.6167 85 R 3.9822 7.4711 119.3722 58.8771 29.7910 178.7834 86 R 3.9588 7.9204 116.9913 58.0960 29.9451 177.6831 87 N 4.7458 7.2119 114.5904 52.5235 39.0713 175.3574 88 G 3.7289 7.5842 107.2178 45.4924 0.0000 173.7133 89 V 4.1220 7.6513 120.3290 60.2719 32.2788 175.1083 90 Q 3.9601 8.7446 129.0883 56.4053 29.3392 175.6200 91 V 3.7257 7.7957 117.7946 59.5384 34.8594 174.3038 92 F 4.8087 7.0224 114.5851 56.0569 40.0568 173.2570 93 D 4.7189 8.7134 120.9019 54.2682 41.8968 175.1871 94 S 4.7940 8.1672 116.5272 56.2501 65.4834 172.8344 95 P 4.6415 0.0000 0.0000 63.6168 31.1510 176.6441 96 E 4.6686 7.9679 115.7206 55.4553 30.7327 177.8915 97 L 4.0280 7.9293 120.4877 57.6988 41.6218 178.7955 98 A 3.9496 7.9060 120.4285 55.3973 18.4800 179.0835 99 D 4.3222 8.0964 116.7152 57.4221 40.8931 178.7539 100 L 3.9319 8.0094 120.6430 58.6318 42.1035 179.3125 101 T 3.9197 8.1135 115.7388 66.4936 68.4821 177.1023 102 V 3.6886 7.9573 120.4680 65.8221 31.6890 178.3365 103 G 3.5965 8.1401 105.3523 47.6543 0.0000 175.4290 104 A 4.2464 8.2658 124.4741 54.4339 18.2405 179.5989 105 A 3.9933 7.9719 118.0401 54.9383 18.5136 178.9753 106 T 4.2987 7.7442 105.3768 61.5543 69.5463 175.9951 107 G 3.9729 7.7649 109.8144 45.6504 0.0000 174.5482 108 E 4.0583 7.6748 117.9187 58.0042 29.9988 176.9985 109 I 4.4063 7.5872 120.2468 59.1388 38.9918 175.5691 110 S 4.5317 8.3899 120.6674 57.4091 65.2935 174.9843 111 V 3.5703 8.3771 122.1832 66.8415 31.1004 178.5705 112 S 4.1353 8.0346 113.9177 61.5744 62.7142 176.5048 113 S 4.1053 7.8178 114.7035 61.1287 62.0170 176.3478 114 V 3.5650 8.1557 121.1437 65.9470 31.2391 177.7523 115 A 4.0896 8.2790 120.6835 55.4110 18.2009 179.2295 116 D 4.2781 8.2494 117.2498 57.8229 40.8696 179.3519 117 T 3.7539 7.7170 115.5616 66.6750 68.5076 176.7907 118 L 3.9252 8.1072 121.1188 57.8271 41.5569 179.7135 119 R 2.5100 8.0883 118.9955 58.7786 29.7253 178.5578 120 R 3.7370 7.4134 117.5411 59.2836 30.1154 178.2315 121 L 3.9638 7.3533 117.8891 56.9383 41.7010 177.9545 122 Y 5.0410 7.2090 112.6943 57.3673 39.5126 176.0341 123 G 3.7652 8.0113 114.5412 45.8064 0.0000 173.4038 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 R 8.25 4.30 0.00 1.82 1.89 0.00 3.09 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 3 H 8.77 5.09 0.00 3.33 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.40 4.55 1.91 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 0.93 0.00 0.00 5 S 9.48 4.60 0.00 4.11 4.04 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 6 P 0.00 4.29 0.00 2.19 2.15 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 7 E 8.16 4.08 0.00 2.07 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 2.41 2.47 0.00 8 E 8.15 3.99 0.00 2.23 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 2.34 2.33 0.00 9 L 7.94 3.98 0.00 1.98 1.85 0.99 1.20 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 10 I 7.86 3.67 2.03 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 1.62 0.78 0.92 0.00 0.00 11 A 7.72 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 3.90 0.00 1.83 1.88 0.94 1.10 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 13 H 8.30 4.09 0.00 3.45 3.48 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.44 4.42 0.00 2.89 2.74 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 0.00 0.00 0.00 15 A 8.41 4.06 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 16 N 8.10 4.47 0.00 2.97 2.99 0.00 0.00 7.14 7.75 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 17 I 7.89 3.91 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.93 0.00 0.00 18 S 7.88 4.10 0.00 4.00 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 19 R 7.64 3.99 0.00 1.63 1.72 0.00 3.07 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 20 Y 8.06 4.59 0.00 3.15 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 21 G 7.82 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 22 G 8.29 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 0.00 0.00 0.00 23 L 8.32 4.23 0.00 1.64 1.62 0.93 1.08 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 24 P 0.00 4.29 0.00 2.23 2.03 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 2.00 1.97 0.00 25 G 7.61 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 *27 S 7.56 4.08 0.00 3.90 3.88 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 28 D 8.78 4.67 0.00 2.63 2.54 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 29 P 0.00 4.36 0.00 2.19 2.10 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 30 G 8.21 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 31 R 8.06 3.99 0.00 2.01 1.98 0.00 3.31 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 32 A 7.95 3.98 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 33 E 8.54 3.86 0.00 2.13 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 0.00 2.34 2.35 0.00 34 A 7.78 3.96 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 35 I 8.03 3.60 2.01 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 1.68 0.90 0.93 0.00 0.00 36 I 8.02 3.71 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.06 0.91 0.00 0.00 37 G 8.18 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 0.00 0.00 0.00 38 R 7.92 3.80 0.00 1.82 2.03 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 39 V 7.58 3.30 1.70 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 0.05 0.00 0.00 0.48 0.00 0.00 40 Q 8.44 3.83 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 41 A 8.30 4.05 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 42 R 8.12 3.88 0.00 1.94 1.98 0.00 3.07 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 43 V 7.68 3.54 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 0.99 0.00 0.00 0.97 0.00 0.00 44 A 7.82 4.00 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 45 Y 7.84 3.94 0.00 3.04 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 46 E 8.53 4.28 0.00 2.13 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 2.56 2.57 0.00 47 E 7.38 3.82 0.00 2.05 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 2.23 2.18 0.00 48 I 7.75 4.09 1.89 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 1.38 0.49 0.95 0.00 0.00 49 T 8.36 4.43 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 50 D 7.99 4.48 0.00 2.85 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 51 L 8.54 4.19 0.00 1.24 1.46 0.70 1.07 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 52 F 7.97 4.30 0.00 3.30 3.18 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 53 E 8.26 4.02 0.00 2.26 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 2.62 2.53 0.00 54 V 7.74 3.51 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 0.54 0.00 0.00 1.05 0.00 0.00 55 S 8.52 4.05 0.00 4.25 4.16 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 56 A 8.57 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 3.84 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 1.04 0.00 0.00 58 Y 7.85 3.90 0.00 3.11 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 59 L 7.87 4.13 0.00 1.93 1.87 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.92 3.52 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 0.94 0.00 0.00 0.97 0.00 0.00 61 A 7.54 3.97 1.31 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 0.00 0.00 0.00 62 T 8.02 3.96 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 1.27 0.00 0.00 63 A 8.02 4.02 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 64 R 7.72 4.45 0.00 1.77 1.91 0.00 3.29 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 65 G 8.10 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 66 H 8.08 4.07 0.00 3.29 3.32 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 67 I 7.61 3.80 1.71 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 1.34 0.69 0.78 0.00 0.00 68 S 7.51 4.57 0.00 3.95 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 69 N 8.68 4.60 0.00 2.70 2.89 0.00 0.00 6.66 8.47 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 70 D 7.97 4.60 0.00 2.85 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 71 A 8.67 3.68 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 72 N 7.73 4.43 0.00 2.72 2.86 0.00 0.00 7.05 7.32 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 73 K 8.03 3.97 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 74 R 7.81 3.79 0.00 1.95 1.93 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 75 T 8.01 3.84 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 1.28 0.00 0.00 76 A 8.10 3.98 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.84 3.89 0.00 1.79 1.65 0.95 0.73 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 78 N 8.44 4.35 0.00 2.84 2.84 0.00 0.00 6.84 8.27 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 79 S 8.44 4.05 0.00 3.96 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 0.00 80 A 8.17 3.96 1.53 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 81 L 8.11 3.94 0.00 1.70 1.59 1.07 0.37 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 82 L 7.78 3.84 0.00 1.83 1.79 0.87 0.67 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 83 F 7.93 3.93 0.00 2.64 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 84 L 7.58 3.62 0.00 1.73 1.52 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.47 3.98 0.00 1.92 1.92 0.00 3.10 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 86 R 7.92 3.96 0.00 1.74 1.83 0.00 3.13 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 87 N 7.21 4.75 0.00 2.06 2.47 0.00 0.00 7.16 8.81 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 88 G 7.58 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 0.00 0.00 0.00 89 V 7.65 4.12 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 1.01 0.00 0.00 0.80 0.00 0.00 90 Q 8.74 3.96 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 91 V 7.80 3.73 1.54 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 0.26 0.00 0.00 0.76 0.00 0.00 92 F 7.02 4.81 0.00 3.14 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 93 D 8.71 4.72 0.00 2.74 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 94 S 8.17 4.79 0.00 3.97 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 95 P 0.00 4.64 0.00 2.09 2.09 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 96 E 7.97 4.67 0.00 2.03 2.11 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 2.15 2.20 0.00 97 L 7.93 4.03 0.00 1.73 1.77 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.91 3.95 1.31 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 0.00 0.00 0.00 99 D 8.10 4.32 0.00 2.83 2.74 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 0.00 0.00 0.00 100 L 8.01 3.93 0.00 1.89 1.85 0.91 0.64 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 0.00 101 T 8.11 3.92 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 1.26 0.00 0.00 102 V 7.96 3.69 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 1.01 0.00 0.00 0.97 0.00 0.00 103 G 8.14 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.99 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 0.00 106 T 7.74 4.30 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 1.30 0.00 0.00 107 G 7.76 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 0.00 108 E 7.67 4.06 0.00 2.03 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 2.28 0.00 109 I 7.59 4.41 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 1.35 1.27 0.91 0.00 0.00 110 S 8.39 4.53 0.00 4.05 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 0.00 111 V 8.38 3.57 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 1.14 0.00 0.00 0.92 0.00 0.00 112 S 8.03 4.14 0.00 3.92 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 0.00 113 S 7.82 4.11 0.00 3.93 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 0.00 114 V 8.16 3.57 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 1.08 0.00 0.00 1.01 0.00 0.00 115 A 8.28 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.28 0.00 2.93 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 0.00 117 T 7.72 3.75 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 1.14 0.00 0.00 118 L 8.11 3.93 0.00 2.00 2.10 1.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.09 2.51 0.00 1.65 1.78 0.00 3.01 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.00 120 R 7.41 3.74 0.00 1.88 1.94 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 121 L 7.35 3.96 0.00 0.63 0.44 0.62 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.21 5.04 0.00 3.20 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 0.00 123 G 8.01 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.