NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2723 8.1744 110.9383 61.4401 70.0435 172.6782 2 D 4.5766 8.6361 124.3806 51.8610 43.4238 173.9886 3 L 4.7898 8.2717 125.7026 54.4854 42.9971 177.4980 4 S 4.1121 9.2478 117.0721 61.7656 62.8355 176.4604 5 A 4.0958 7.9215 123.3167 55.0542 18.3260 179.0151 6 Q 3.9947 8.2767 115.8935 59.4237 28.8307 179.4605 7 K 3.9579 8.5424 119.5739 59.7056 32.1249 178.8542 8 R 3.8686 7.8446 118.3172 59.5699 30.0429 178.3653 9 L 3.9895 8.0434 117.9159 57.8115 41.5612 179.2838 10 A 4.0064 8.7900 120.6213 55.2943 18.3611 179.5420 11 A 4.0257 8.5190 119.5919 54.8937 18.1017 178.7187 12 D 4.5352 8.0261 115.8659 55.8442 41.6124 178.8451 13 V 3.8016 8.2956 119.5077 64.0094 31.6732 177.5332 14 L 4.2864 8.1987 117.7524 53.5132 43.2348 175.5401 15 D 4.3636 7.4935 116.3403 54.6520 39.5576 172.7040 16 V 4.5174 8.3593 118.1609 60.7690 35.7075 174.3830 17 G 3.9049 8.6630 113.1886 45.8162 0.0000 174.2986 18 K 3.8389 8.9023 121.7852 59.6803 32.0863 178.9759 19 N 4.4559 8.1950 112.4071 55.1705 38.6270 175.4329 20 R 4.6041 7.9373 116.9637 56.1254 31.8820 176.6823 21 V 4.4842 7.9527 113.0296 60.8714 32.7686 175.4358 22 W 4.9820 10.2201 134.4770 55.6623 33.8617 174.0608 23 F 4.5959 8.0036 124.7589 55.0711 41.0527 174.2708 24 N 3.1400 7.6200 123.4968 53.1236 38.9729 173.9183 25 P 4.1343 0.0000 0.0000 65.3157 31.5882 177.1587 26 E 4.2968 8.3927 115.6881 57.1912 29.9486 177.1127 27 R 4.5528 7.9119 117.7989 55.8691 30.9144 177.4314 28 Q 4.0267 8.3372 118.8400 59.5275 28.4955 179.2570 29 G 3.7803 8.1996 105.5480 48.3293 0.0000 175.0884 30 D 4.3047 7.7729 119.2956 57.2746 41.2629 178.3956 31 I 3.6998 8.0749 120.4857 64.0302 36.7704 178.0964 32 A 4.0153 8.5493 122.0350 55.5648 18.3738 179.2721 33 D 4.4886 7.7015 113.8857 54.9457 41.0251 176.8768 34 A 4.1294 7.6158 124.2806 52.2484 18.7887 177.0700 35 I 4.3789 8.4250 123.7370 61.5015 39.9880 176.7283 36 T 4.6664 7.5944 109.3310 59.6154 72.3174 175.0983 37 R 3.9192 8.5705 121.3874 59.9459 30.0090 178.4167 38 E 3.8971 8.2985 118.2092 59.4529 29.5403 178.3298 39 D 4.3708 8.3652 118.6276 57.6011 40.9527 179.8472 40 V 3.5311 7.8468 118.3783 65.9889 31.5794 177.8863 41 R 3.8664 8.1071 118.1706 59.6631 30.1072 178.2242 42 E 3.7844 8.2923 118.5381 59.6945 29.1606 179.0613 43 L 4.0043 7.5989 118.7936 57.3998 41.5134 179.7536 44 V 3.8626 7.9652 120.1406 65.6529 31.4445 177.6897 45 D 4.5160 8.6548 117.0550 56.1803 40.6960 177.4685 46 E 4.3824 7.8642 117.7657 56.2909 30.1390 176.9811 47 G 4.0340 8.7193 107.6737 45.0492 0.0000 174.5920 48 A 4.3437 7.9839 120.8121 54.0567 19.3222 177.0166 49 I 5.4426 7.6182 115.3218 58.9052 40.2768 175.1434 50 Q 4.7817 9.2424 124.2914 54.1815 34.0368 173.5344 51 A 5.4248 8.4109 120.6777 50.0326 21.0881 176.4670 52 K 4.0362 9.1628 122.9680 57.0487 33.1805 176.3795 53 D 4.7521 8.4091 121.5207 52.8103 42.0453 177.0644 54 K 4.1229 8.4667 123.0477 56.5956 33.3435 176.8445 55 K 4.4439 8.3262 121.0149 55.8895 34.6278 175.3733 56 G 4.2262 7.8911 105.9395 44.0272 0.0000 172.3750 57 N 4.4768 8.4778 118.3731 52.6907 39.2183 175.4471 58 S 4.2819 8.5501 119.2883 58.7622 63.2490 174.6352 59 R 4.5416 8.6164 124.0408 56.2959 29.9354 178.3808 60 G 3.6382 7.9760 107.0286 48.1447 0.0000 175.9721 61 R 3.9021 8.1032 120.2604 58.7770 30.0927 178.6102 62 A 3.9668 7.9020 119.8734 55.0963 18.4377 179.2938 63 R 3.8431 8.4081 116.0906 59.7112 30.3326 178.8906 64 E 3.9710 8.4205 118.2195 59.6162 29.4592 179.6845 65 R 3.8233 7.8158 117.7926 59.7324 30.0969 178.3663 66 Q 4.1996 8.3991 116.7937 59.1099 28.8454 179.6346 67 K 4.1003 8.4318 119.7935 59.2639 32.1755 179.1159 68 K 3.8740 7.9969 118.5987 59.8955 32.1259 179.4073 69 R 4.2128 8.6688 114.3852 57.3753 29.1950 177.7452 70 A 4.2381 8.3241 122.0276 54.3507 19.1339 179.6444 71 K 4.0285 7.9135 115.5257 58.4772 32.3366 177.0590 72 G 3.9281 6.8876 104.6577 45.5423 0.0000 173.0269 73 H 4.8145 8.5031 118.0684 54.7215 31.1161 173.9685 74 Q 3.4712 8.7725 115.7717 57.0766 25.2103 175.1219 75 K 4.6007 7.8872 111.1203 56.4629 34.4373 177.3302 76 G 3.7512 8.1317 107.9510 45.0339 0.0000 175.1512 77 A 3.7825 8.6615 123.0611 54.0004 18.4707 178.8638 78 G 3.8328 7.8885 103.2425 46.6394 0.0000 174.9025 79 S 4.5700 8.8519 115.2201 58.4143 63.2376 174.3709 80 R 4.4732 7.5740 119.6499 55.3054 31.1136 176.0105 81 K 4.3943 8.4634 118.5501 56.9120 35.0009 176.8401 82 G 3.9577 7.8150 105.8695 43.7062 0.0000 173.4674 83 K 4.0110 8.4044 121.7630 56.1304 33.9825 177.2806 84 A 4.0861 8.5541 121.7862 55.1956 18.0858 179.6705 85 G 3.8945 8.0129 102.3573 45.9836 0.0000 174.9075 86 A 4.1924 7.6155 122.2756 55.1064 18.9104 179.3887 87 R 4.1150 7.6445 114.6752 57.7592 30.4845 176.9580 88 Q 4.4115 7.7847 119.6543 53.3920 31.3861 173.6953 89 N 4.6233 8.7527 124.1952 53.0247 39.8200 174.8787 90 S 4.1581 8.8263 124.0251 61.8170 62.8609 176.4517 91 K 3.9936 8.0578 123.2752 58.8823 31.6730 178.0420 92 E 4.1240 10.0283 120.3144 59.3451 29.4239 178.4679 93 D 4.3180 8.4443 118.4376 57.0816 41.3547 177.8755 94 W 4.1926 8.7579 129.3169 60.4638 30.5756 177.4477 95 E 3.7071 8.5125 118.5779 59.5722 28.9448 178.9320 96 S 3.9955 7.5820 112.1945 61.7371 62.3598 176.3158 97 R 3.7567 7.6967 120.0887 59.4733 29.9378 178.9021 98 I 3.2524 7.1633 118.3609 63.8343 37.6854 178.2464 99 R 3.7724 7.8917 118.7713 59.0268 29.8706 178.4906 100 A 3.9226 7.8991 120.6329 55.6370 18.4378 179.7570 101 Q 3.8410 8.3634 116.5484 59.0787 28.5911 179.3159 102 R 4.1580 7.9381 119.0538 59.0393 30.1229 179.0230 103 T 3.8528 8.4580 116.0017 66.7155 68.5371 175.9140 104 K 3.7572 8.2497 121.4673 60.1433 31.8815 178.2249 105 L 4.0937 7.7547 117.9879 58.0700 41.9540 179.4997 106 R 3.8705 8.3416 118.6695 59.4077 30.0115 178.0650 107 E 3.9053 8.4392 118.4561 59.7531 29.6941 179.5566 108 L 3.9796 7.9619 118.2520 57.3861 41.5104 179.4217 109 R 4.2177 7.6987 119.9989 58.1542 29.9671 177.8982 110 D 4.3510 7.7998 117.3061 56.7187 39.7988 177.4367 111 E 4.1730 8.5739 118.7793 56.3029 29.2979 177.5975 112 G 3.9630 7.3546 105.5360 47.4814 0.0000 174.9558 113 T 4.1963 7.3217 117.3877 64.3203 69.0931 175.3022 114 L 4.8036 7.9446 121.7297 52.4583 44.7624 176.3911 115 S 4.4793 8.5037 117.9923 57.6932 63.8555 175.1665 116 S 4.3130 8.7098 116.5477 60.2696 62.8895 175.3232 117 S 4.6181 7.7280 117.5457 60.6853 64.3269 176.1556 118 Q 4.0420 7.8294 121.5063 58.5295 28.3527 177.7607 119 Y 4.1970 8.6273 120.9430 60.8453 38.8233 177.8560 120 R 3.5056 8.1504 118.8235 59.6370 30.1573 177.2029 121 D 4.4189 7.9505 117.0358 57.6260 40.9160 178.6097 122 L 4.1012 7.8472 118.5274 58.2127 41.7265 178.6244 123 Y 4.0100 8.0554 119.6719 61.1950 38.2261 178.2909 124 D 4.4732 8.1647 118.7676 57.1144 41.1884 178.6200 125 K 4.1258 8.0654 118.5845 59.2159 32.1509 179.1848 126 A 4.5506 9.8645 121.2862 55.4421 18.1919 179.8879 127 G 3.9521 8.2163 102.3924 46.7795 0.0000 175.0762 128 G 3.8948 8.2427 106.6529 44.0718 0.0000 173.2574 129 G 3.9345 8.5458 108.6308 46.8450 0.0000 174.2566 130 E 4.0851 7.9309 116.2872 55.9944 30.5928 176.7542 131 F 5.0513 7.5881 117.3315 55.6352 41.6198 175.1761 132 D 4.5940 8.7776 125.1808 56.8449 41.2294 177.0578 133 S 4.5652 7.8206 111.6260 55.9558 66.4344 175.8926 134 V 3.4699 8.3065 121.8084 66.4000 31.0639 177.6453 135 A 3.9775 8.0875 119.5562 55.5227 18.1008 178.7482 136 D 4.3923 7.7417 115.6684 57.7961 41.2366 177.7979 137 L 3.8424 8.2931 120.9147 58.0808 41.8643 178.4149 138 E 3.9092 8.5137 118.1897 59.9660 29.4339 179.7379 139 R 3.9382 8.2748 116.4504 59.8908 30.2393 178.1270 140 Y 4.3326 8.1567 118.0097 60.3192 38.8854 177.4401 141 I 3.7860 8.0082 120.7977 63.9922 38.3805 178.1028 142 D 4.5802 8.1965 119.2013 54.5094 37.7365 175.6630 143 A 3.1598 7.4224 124.4600 53.1396 18.5488 177.8432 *144 N 4.5483 8.4480 113.2290 52.8376 38.3779 171.3181 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 T 8.17 4.27 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 2 D 8.64 4.58 0.00 2.68 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 3 L 8.27 4.79 0.00 1.74 1.89 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 S 9.25 4.11 0.00 3.89 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 5 A 7.92 4.10 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 6 Q 8.28 3.99 0.00 2.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 7 K 8.54 3.96 0.00 1.79 1.77 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.15 1.29 7.81 8 R 7.84 3.87 0.00 1.91 2.13 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 9 L 8.04 3.99 0.00 1.91 1.74 0.94 0.87 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 10 A 8.79 4.01 1.58 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 11 A 8.52 4.03 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 12 D 8.03 4.54 0.00 2.76 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 13 V 8.30 3.80 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 0.90 0.00 0.00 0.94 0.00 0.00 14 L 8.20 4.29 0.00 1.75 1.79 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.49 4.36 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 16 V 8.36 4.52 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 0.83 0.00 0.00 1.00 0.00 0.00 17 G 8.66 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.90 3.84 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 19 N 8.19 4.46 0.00 2.71 2.88 0.00 0.00 6.78 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 20 R 7.94 4.60 0.00 1.96 1.97 0.00 3.13 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 21 V 7.95 4.48 2.40 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 0.79 0.00 0.00 0.92 0.00 0.00 22 W 10.22 4.98 0.00 3.32 3.26 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 23 F 8.00 4.60 0.00 2.47 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 24 N 7.62 3.14 0.00 2.65 2.54 0.00 0.00 6.78 7.62 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 25 P 0.00 4.13 0.00 2.10 2.11 0.00 3.79 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 26 E 8.39 4.30 0.00 2.09 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 2.33 2.31 0.00 27 R 7.91 4.55 0.00 1.72 1.81 0.00 3.17 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 28 Q 8.34 4.03 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 29 G 8.20 3.78 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 0.00 0.00 0.00 30 D 7.77 4.30 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 31 I 8.07 3.70 1.93 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.71 0.00 0.00 32 A 8.55 4.02 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 33 D 7.70 4.49 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 34 A 7.62 4.13 1.23 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 0.00 0.00 35 I 8.42 4.38 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 1.57 0.99 0.91 0.00 0.00 36 T 7.59 4.67 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 37 R 8.57 3.92 0.00 1.87 2.05 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 38 E 8.30 3.90 0.00 2.07 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 2.37 2.46 0.00 39 D 8.37 4.37 0.00 3.10 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 40 V 7.85 3.53 2.23 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 1.01 0.00 0.00 0.97 0.00 0.00 41 R 8.11 3.87 0.00 1.97 2.00 0.00 3.20 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 42 E 8.29 3.78 0.00 2.02 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 0.00 2.30 2.36 0.00 43 L 7.60 4.00 0.00 1.79 1.56 0.79 0.70 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 44 V 7.97 3.86 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 1.25 0.00 0.00 0.94 0.00 0.00 45 D 8.65 4.52 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 46 E 7.86 4.38 0.00 2.04 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 2.28 2.52 0.00 47 G 8.72 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 0.00 0.00 0.00 48 A 7.98 4.34 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 49 I 7.62 5.44 1.76 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.75 0.90 0.00 0.00 50 Q 9.24 4.78 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 51 A 8.41 5.42 1.25 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 0.00 0.00 0.00 52 K 9.16 4.04 0.00 1.77 1.80 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.47 7.81 53 D 8.41 4.75 0.00 2.65 2.58 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 54 K 8.47 4.12 0.00 1.87 1.82 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 55 K 8.33 4.44 0.00 1.88 1.88 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81 56 G 7.89 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 0.00 0.00 0.00 57 N 8.48 4.48 0.00 2.71 2.76 0.00 0.00 6.99 7.57 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 58 S 8.55 4.28 0.00 3.86 3.82 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 59 R 8.62 4.54 0.00 1.85 1.93 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 60 G 7.98 3.64 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 61 R 8.10 3.90 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 62 A 7.90 3.97 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 63 R 8.41 3.84 0.00 2.00 2.02 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 64 E 8.42 3.97 0.00 2.14 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 2.34 0.00 65 R 7.82 3.82 0.00 1.99 2.13 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 66 Q 8.40 4.20 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 67 K 8.43 4.10 0.00 2.05 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 68 K 8.00 3.87 0.00 1.99 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.61 7.81 69 R 8.67 4.21 0.00 1.75 1.98 0.00 3.12 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 70 A 8.32 4.24 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 7.91 4.03 0.00 1.68 2.07 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.24 7.81 72 G 6.89 3.93 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 0.00 0.00 0.00 73 H 8.50 4.81 0.00 3.18 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.77 3.47 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.42 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 75 K 7.89 4.60 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.60 7.81 76 G 8.13 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 0.00 0.00 0.00 77 A 8.66 3.78 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 78 G 7.89 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 79 S 8.85 4.57 0.00 3.84 3.90 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 0.00 0.00 0.00 0.00 80 R 7.57 4.47 0.00 1.80 1.85 0.00 3.15 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 81 K 8.46 4.39 0.00 1.63 1.74 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.47 7.81 82 G 7.82 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 83 K 8.40 4.01 0.00 1.88 1.74 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.58 7.81 84 A 8.55 4.09 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 85 G 8.01 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 0.00 0.00 0.00 86 A 7.62 4.19 1.34 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 0.00 0.00 87 R 7.64 4.11 0.00 1.99 2.01 0.00 3.23 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 88 Q 7.78 4.41 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 89 N 8.75 4.62 0.00 2.81 2.72 0.00 0.00 6.91 7.63 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 90 S 8.83 4.16 0.00 4.11 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 91 K 8.06 3.99 0.00 1.83 2.00 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.45 7.81 92 E 10.03 4.12 0.00 2.28 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 2.33 2.35 0.00 93 D 8.44 4.32 0.00 2.95 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 94 W 8.76 4.19 0.00 3.49 3.32 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 95 E 8.51 3.71 0.00 2.25 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 2.51 2.79 0.00 96 S 7.58 4.00 0.00 3.86 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 97 R 7.70 3.76 0.00 1.84 1.76 0.00 3.26 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 98 I 7.16 3.25 0.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.16 0.53 0.00 0.00 99 R 7.89 3.77 0.00 1.99 1.90 0.00 3.15 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 100 A 7.90 3.92 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 0.00 101 Q 8.36 3.84 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 102 R 7.94 4.16 0.00 2.01 2.18 0.00 3.04 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.58 0.00 103 T 8.46 3.85 4.36 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 1.21 0.00 0.00 104 K 8.25 3.76 0.00 1.92 1.91 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.54 7.81 105 L 7.75 4.09 0.00 2.14 2.23 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.34 3.87 0.00 2.08 2.13 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 107 E 8.44 3.91 0.00 2.11 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 2.59 0.00 108 L 7.96 3.98 0.00 1.85 1.75 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.70 4.22 0.00 1.55 1.68 0.00 2.75 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 110 D 7.80 4.35 0.00 2.63 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 0.00 111 E 8.57 4.17 0.00 2.05 1.90 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 0.00 2.29 2.30 0.00 112 G 7.35 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 0.00 113 T 7.32 4.20 4.37 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 1.21 0.00 0.00 114 L 7.94 4.80 0.00 1.71 1.62 1.02 0.57 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 0.00 115 S 8.50 4.48 0.00 4.02 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 0.00 116 S 8.71 4.31 0.00 4.08 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 0.00 117 S 7.73 4.62 0.00 4.08 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 0.00 118 Q 7.83 4.04 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 119 Y 8.63 4.20 0.00 2.95 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 0.00 120 R 8.15 3.51 0.00 2.13 2.10 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 121 D 7.95 4.42 0.00 2.84 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 0.00 122 L 7.85 4.10 0.00 1.94 1.68 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.06 4.01 0.00 2.47 2.76 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 0.00 124 D 8.16 4.47 0.00 2.91 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 0.00 125 K 8.07 4.13 0.00 2.21 1.78 0.00 1.79 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.65 7.81 126 A 9.86 4.55 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 0.00 127 G 8.22 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 0.00 128 G 8.24 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 0.00 0.00 0.00 129 G 8.55 3.93 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 0.00 0.00 0.00 130 E 7.93 4.09 0.00 1.16 1.13 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 2.13 1.96 0.00 131 F 7.59 5.05 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 0.00 132 D 8.78 4.59 0.00 2.66 2.76 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 0.00 133 S 7.82 4.57 0.00 3.99 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 0.00 134 V 8.31 3.47 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 1.08 0.00 0.00 0.88 0.00 0.00 135 A 8.09 3.98 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 0.00 136 D 7.74 4.39 0.00 2.89 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 0.00 137 L 8.29 3.84 0.00 1.47 1.73 -0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.51 3.91 0.00 2.21 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 2.33 2.55 0.00 139 R 8.27 3.94 0.00 2.00 2.11 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 140 Y 8.16 4.33 0.00 3.21 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 0.00 141 I 8.01 3.79 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.90 0.00 0.00 142 D 8.20 4.58 0.00 2.61 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 0.00 143 A 7.42 3.16 1.23 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 0.00 0.00 *144 N 8.45 4.55 0.00 2.50 2.64 0.00 0.00 6.44 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.