NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 4.8690 8.1827 119.3723 57.7371 40.9348 173.2560 5 H 5.2770 9.0088 123.1549 54.1635 32.6122 168.8839 6 E 4.9665 8.8882 124.7434 54.6500 34.0942 174.3393 7 Q 5.4895 8.6986 118.3420 54.6270 31.8392 173.7606 8 F 5.0541 7.9589 114.9221 55.8769 41.6343 172.6218 9 I 4.9186 8.5136 120.5791 59.8151 39.0738 175.1717 10 V 4.5799 8.4703 126.2643 60.7144 33.6057 175.3974 11 R 4.0101 8.9341 127.8305 56.6420 30.4901 176.7501 12 E 4.0062 8.8189 125.0173 59.1971 29.8202 177.5892 13 D 4.5222 8.1057 116.3192 54.9087 40.1635 176.8471 14 L 4.3124 7.7708 122.8842 53.1303 40.3499 176.7582 *16 G 3.8979 7.8380 110.4530 45.2605 0.0000 173.1254 17 L 3.5315 7.5654 118.7671 57.6048 41.6649 178.2573 18 A 4.3627 7.6746 119.5967 55.3566 18.8830 178.6927 19 I 3.9042 7.9530 116.0597 63.1077 37.8259 177.6445 20 G 4.2266 8.1636 104.4086 44.9636 0.0000 172.5132 21 T 3.9019 8.2323 108.8049 62.8936 68.5337 174.0468 22 H 3.8493 9.6301 124.7244 56.8003 26.5200 176.0000 23 G 3.9184 8.5693 105.5457 45.9129 0.0000 175.8644 24 A 4.1404 7.7748 123.2754 55.3057 18.2452 179.8848 25 N 4.2575 8.0301 114.7444 56.8326 39.1891 176.9477 26 I 3.7191 7.7499 119.8684 63.8770 38.0240 177.7328 27 Q 3.9605 8.5176 119.5917 59.0757 28.3469 178.8553 28 Q 3.7130 7.3841 117.2709 58.9770 28.4653 178.7254 29 A 3.8869 7.4423 121.3978 55.0798 18.1163 179.9445 30 R 4.0195 8.0025 116.6525 58.8135 30.1766 178.3491 31 K 4.4119 7.6890 116.0003 55.9889 33.1081 176.9125 32 V 3.7445 7.0965 120.9012 62.1537 31.8375 173.7237 33 P 4.5676 0.0000 0.0000 64.0187 31.7942 176.0489 34 G 4.0917 9.0646 110.8660 44.5032 0.0000 173.4002 35 V 4.0851 7.4736 119.9128 63.0536 31.9038 175.7061 36 T 4.3692 9.2190 124.9052 66.2320 69.8137 174.7370 37 A 4.6144 7.6596 119.1654 51.1457 22.6356 175.3408 38 I 5.1888 8.5733 120.5060 59.7496 40.5249 174.6763 39 D 5.0479 9.6800 126.9566 52.3254 44.5645 174.5191 40 L 4.4353 8.4630 124.8025 53.3355 43.7018 175.8281 41 D 4.5589 8.8873 127.9144 52.8116 39.8831 176.3172 42 E 3.9606 8.3943 124.7145 58.6966 29.8704 178.1958 43 D 4.5598 8.1019 117.5574 55.5300 41.2290 176.5252 44 T 4.4818 7.4806 107.2944 60.2944 69.7581 173.4365 45 C 3.9418 7.7469 118.3601 61.2420 26.0711 171.9163 46 T 4.7574 7.4568 115.2636 61.8764 70.3424 174.0351 47 F 4.6368 8.2860 125.9091 57.0895 40.7662 174.4011 48 H 5.2637 9.3362 120.2261 53.9921 31.8930 172.8064 49 I 5.0233 8.6326 123.9582 59.6865 40.1556 174.1765 50 Y 5.2925 9.0023 124.6051 56.3660 41.2033 175.0436 51 G 4.3236 8.5418 108.6564 45.3893 0.0000 173.3934 52 E 4.6013 9.0917 120.1628 58.5273 30.2868 177.2080 53 D 4.5626 7.8969 116.8293 50.3137 43.1020 176.1919 54 Q 3.5573 7.5168 119.6741 59.1528 28.9030 177.4207 55 D 4.2076 7.9324 118.3511 57.3528 41.1881 178.0391 56 A 3.9719 8.6114 121.5057 55.2747 18.3582 179.8549 57 V 3.6337 7.5021 116.3742 65.9232 31.5013 178.4898 58 K 3.8910 8.3360 118.7236 59.1976 31.6822 179.0591 59 K 3.7749 8.1682 118.9662 59.5641 32.2241 178.3356 60 A 4.3701 8.1440 120.9289 55.1796 18.2695 179.3759 61 R 3.6881 8.2078 117.4687 59.6964 29.8084 178.3129 62 S 3.7822 7.9992 112.0796 61.7229 62.2568 176.1042 63 F 4.1932 7.8375 119.0360 59.6753 38.7668 176.8625 64 L 4.6226 7.7493 116.8829 54.8636 43.8611 176.9384 65 E 4.2941 7.3633 122.0366 55.2057 27.4337 175.6823 66 F 4.8392 8.1609 119.8191 57.5002 40.5758 175.7170 67 A 4.7755 9.3382 123.2203 50.7005 23.3225 174.8800 68 E 5.0959 8.9070 120.4855 54.9108 30.9646 174.6255 69 D 5.1030 9.0183 127.3467 52.3658 44.2588 175.5603 70 V 4.6105 8.5233 123.0868 62.1426 32.7748 174.8248 71 I 4.5852 9.3796 129.2622 59.7196 39.7153 174.5574 72 Q 4.8997 8.7446 126.0364 54.7618 29.8332 175.0392 73 V 4.2360 8.3345 124.9364 60.0775 33.4026 173.7029 74 P 4.3794 0.0000 0.0000 63.1960 31.9747 177.2051 75 R 3.9178 9.3483 125.4431 59.5294 29.9190 178.3813 76 N 4.5451 8.2209 114.3673 54.7395 37.5064 175.6006 77 L 4.6872 7.6817 120.1910 54.0936 42.9533 178.1709 78 V 3.7795 7.8978 121.1707 65.0505 31.1872 178.5933 79 G 3.7206 8.1383 105.4590 47.2808 0.0000 175.5867 80 K 4.0930 8.1345 120.0234 58.7772 32.0798 178.6585 81 V 4.0539 7.5830 116.9052 64.2044 32.0512 177.5840 82 I 4.0933 7.6867 119.4551 62.1314 37.3418 176.8405 83 G 4.2635 7.9596 104.8563 44.3196 0.0000 172.9212 84 K 4.0659 8.2281 117.1049 57.2243 32.6380 176.5809 85 N 4.1046 9.0671 117.5334 57.9800 36.9291 174.2621 86 G 4.0849 7.8892 99.3024 45.8493 0.0000 176.1813 87 K 4.0588 8.4361 125.7329 58.2982 32.1511 178.1846 88 L 3.9119 7.7580 120.3333 58.1895 42.2458 178.4307 89 I 3.7278 7.5835 118.2522 64.2299 37.7541 177.5576 90 Q 3.9750 7.8464 119.4274 59.1720 28.8419 177.8117 91 E 3.9435 8.4224 120.4187 59.2436 29.5449 178.9241 92 I 3.7287 8.1306 120.2484 64.3192 37.0728 178.5560 93 V 3.7021 7.9128 119.0689 66.2020 31.1697 177.8853 94 D 4.3867 8.2045 117.6800 57.3172 40.7572 178.6619 95 K 4.1649 8.5283 118.7245 59.4092 32.1775 179.3539 96 S 4.4935 7.5455 115.2205 59.0182 62.9023 175.5448 97 G 3.9025 7.7450 108.9518 45.1085 0.0000 173.6329 98 V 4.0653 7.2200 111.9430 60.2866 32.3380 176.5742 99 V 3.9353 8.7254 121.9603 66.0100 31.9070 176.3066 100 R 4.6370 7.5640 116.7819 55.3873 33.1988 173.5966 101 V 4.5384 8.4113 123.8928 59.7945 34.1772 174.7234 102 R 4.4416 8.5796 122.7629 54.5126 32.4266 174.8860 103 I 4.2193 8.0023 124.9348 59.7456 38.5454 174.7973 104 E 4.6043 8.6903 126.8313 54.3998 31.3979 175.4447 105 A 4.5712 8.6043 127.8196 50.4571 20.3278 175.4350 106 E 4.5653 8.4141 122.3364 54.7119 31.6077 175.9531 107 N 4.4042 8.5147 120.7247 53.4181 39.5381 175.6182 108 E 4.2684 8.9310 123.1843 59.2652 29.5587 178.5794 109 K 4.0488 8.2812 118.4828 58.8560 32.2909 176.9335 110 N 4.3282 8.3529 116.9388 53.4699 38.5425 175.0904 111 V 3.6512 8.5219 124.1868 65.2431 31.8078 174.9612 112 P 4.5413 0.0000 0.0000 62.3181 29.6889 174.4357 113 Q 4.4662 8.0654 123.0292 54.3061 32.6116 174.9713 114 E 3.9356 8.9676 122.5687 56.5991 29.9850 176.5556 115 E 3.9100 8.7212 124.9583 57.1942 30.9243 176.2172 116 G 3.4491 8.5307 113.6267 45.9949 0.0000 173.2675 *118 V 4.1818 7.1933 117.0478 61.9845 33.8263 173.4853 119 P 4.9088 0.0000 0.0000 62.7144 32.7222 175.1218 120 F 4.9926 9.8600 124.4385 55.9719 41.0376 175.1383 121 V 4.6909 8.4886 125.8851 61.4603 32.7747 174.6263 122 F 5.0153 9.4508 128.0829 56.3952 41.1194 175.2083 123 V 4.9243 8.7815 122.6178 61.0320 34.1644 175.0151 124 G 4.4726 8.6424 114.2950 46.2016 0.0000 172.3109 125 T 3.8916 7.3182 109.4863 60.9843 69.4808 175.3450 126 K 3.7705 8.4087 123.3074 60.0052 32.0584 179.4587 127 D 4.2322 7.7809 118.6400 57.2609 40.2951 178.8309 128 S 4.1785 7.8313 114.8147 61.5180 62.8986 176.7151 129 I 3.4966 7.8364 123.2237 63.7290 36.8998 178.1025 130 A 3.8542 7.9647 121.7860 55.0802 18.1670 179.1487 131 N 4.1063 8.1098 115.1435 56.8628 38.9950 176.8812 132 A 4.0540 8.0221 122.2434 55.4271 18.2777 179.7333 133 T 3.6413 8.0164 114.5895 66.7935 68.4578 177.2394 134 V 3.6101 7.5840 114.0024 64.4719 31.5402 178.6956 135 L 4.0952 7.7506 118.5846 57.5700 41.3459 179.3053 136 L 3.9944 8.1741 119.1652 58.2081 41.5885 179.3401 137 D 4.3654 8.4826 118.8875 57.4180 40.7681 178.1854 138 Y 4.1034 8.4749 120.4535 61.3636 38.5841 178.1911 139 H 4.2876 8.1933 115.4555 58.5010 28.8883 177.6697 140 L 4.0981 8.2428 120.6590 57.5283 41.6815 178.3438 141 N 4.7422 8.2425 114.2903 53.8507 39.9766 175.6854 142 Y 4.2711 7.6311 119.7932 59.2868 39.6040 175.3952 143 L 3.5627 7.3671 120.9866 54.3049 42.6703 176.6173 144 K 4.0606 8.0780 124.0957 56.5380 32.5920 175.8624 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 4 F 8.18 4.87 0.00 3.36 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 5 H 9.01 5.28 0.00 3.29 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.89 4.97 0.00 1.99 1.86 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 2.23 2.25 0.00 7 Q 8.70 5.49 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 8 F 7.96 5.05 0.00 3.20 3.14 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 9 I 8.51 4.92 1.94 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 1.23 0.63 0.96 0.00 0.00 10 V 8.47 4.58 2.45 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 0.99 0.00 0.00 1.50 0.00 0.00 11 R 8.93 4.01 0.00 1.95 1.87 0.00 3.27 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 12 E 8.82 4.01 0.00 1.97 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 2.29 2.30 0.00 13 D 8.11 4.52 0.00 2.81 2.79 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 0.00 0.00 0.00 14 L 7.77 4.31 0.00 1.93 1.67 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *16 G 7.84 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 0.00 0.00 0.00 17 L 7.57 3.53 0.00 0.67 0.13 0.78 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.67 4.36 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 19 I 7.95 3.90 1.90 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 1.49 1.38 0.95 0.00 0.00 20 G 8.16 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 21 T 8.23 3.90 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 1.18 0.00 0.00 22 H 9.63 3.85 0.00 3.33 3.39 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.57 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 24 A 7.77 4.14 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 25 N 8.03 4.26 0.00 2.92 3.05 0.00 0.00 6.82 7.83 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 26 I 7.75 3.72 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 1.05 0.00 0.00 27 Q 8.52 3.96 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 28 Q 7.38 3.71 0.00 1.64 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 29 A 7.44 3.89 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 30 R 8.00 4.02 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 31 K 7.69 4.41 0.00 1.90 1.86 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.61 1.38 7.81 32 V 7.10 3.74 2.25 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 1.03 0.00 0.00 1.13 0.00 0.00 33 P 0.00 4.57 0.00 2.09 1.99 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 34 G 9.06 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 35 V 7.47 4.09 2.21 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 0.90 0.00 0.00 0.99 0.00 0.00 36 T 9.22 4.37 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 1.25 0.00 0.00 37 A 7.66 4.61 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 38 I 8.57 5.19 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 1.13 0.00 0.00 39 D 9.68 5.05 0.00 2.66 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 40 L 8.46 4.44 0.00 1.09 1.40 -0.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.89 4.56 0.00 2.73 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 42 E 8.39 3.96 0.00 2.06 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 2.23 2.30 0.00 43 D 8.10 4.56 0.00 2.67 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 44 T 7.48 4.48 4.22 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 1.22 0.00 0.00 45 C 7.75 3.94 0.00 3.11 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 46 T 7.46 4.76 4.14 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 0.98 0.00 0.00 47 F 8.29 4.64 0.00 1.66 2.59 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 0.00 0.00 0.00 48 H 9.34 5.26 0.00 3.08 2.94 0.00 5.55 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.63 5.02 1.95 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 1.36 1.00 1.00 0.00 0.00 50 Y 9.00 5.29 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 51 G 8.54 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 52 E 9.09 4.60 0.00 1.99 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 2.39 2.47 0.00 53 D 7.90 4.56 0.00 2.56 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 3.56 0.00 1.40 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 55 D 7.93 4.21 0.00 2.73 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 56 A 8.61 3.97 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 57 V 7.50 3.63 2.21 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 1.21 0.00 0.00 1.07 0.00 0.00 58 K 8.34 3.89 0.00 2.02 1.76 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.38 7.81 59 K 8.17 3.77 0.00 1.89 2.07 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.44 7.81 60 A 8.14 4.37 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 61 R 8.21 3.69 0.00 1.90 2.00 0.00 3.03 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 1.20 0.50 0.00 62 S 8.00 3.78 0.00 3.74 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 63 F 7.84 4.19 0.00 3.10 3.21 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 64 L 7.75 4.62 0.00 1.64 1.29 0.68 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.36 4.29 0.00 1.26 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 2.21 2.12 0.00 66 F 8.16 4.84 0.00 3.06 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 67 A 9.34 4.78 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 68 E 8.91 5.10 0.00 2.04 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 2.25 2.36 0.00 69 D 9.02 5.10 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 70 V 8.52 4.61 2.15 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 0.86 0.00 0.00 0.99 0.00 0.00 71 I 9.38 4.59 2.18 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.92 0.00 0.00 72 Q 8.74 4.90 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 73 V 8.33 4.24 1.82 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 0.43 0.00 0.00 0.11 0.00 0.00 74 P 0.00 4.38 0.00 2.14 2.00 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 75 R 9.35 3.92 0.00 2.01 1.94 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 76 N 8.22 4.55 0.00 2.91 2.94 0.00 0.00 5.82 7.79 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 77 L 7.68 4.69 0.00 1.67 1.66 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.90 3.78 2.18 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 0.87 0.00 0.00 1.24 0.00 0.00 79 G 8.14 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 0.00 0.00 0.00 80 K 8.13 4.09 0.00 1.84 2.02 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.53 7.81 81 V 7.58 4.05 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 0.94 0.00 0.00 0.92 0.00 0.00 82 I 7.69 4.09 1.93 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 1.64 1.27 0.93 0.00 0.00 83 G 7.96 4.26 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 0.00 84 K 8.23 4.07 0.00 1.84 1.75 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.44 7.81 85 N 9.07 4.10 0.00 2.77 2.83 0.00 0.00 7.21 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 86 G 7.89 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 87 K 8.44 4.06 0.00 2.07 1.81 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 88 L 7.76 3.91 0.00 1.79 1.70 0.85 0.86 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 89 I 7.58 3.73 2.09 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 0.98 0.00 0.00 90 Q 7.85 3.97 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 91 E 8.42 3.94 0.00 2.10 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 2.33 2.37 0.00 92 I 8.13 3.73 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 1.07 0.00 0.00 93 V 7.91 3.70 2.27 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 1.09 0.00 0.00 1.03 0.00 0.00 94 D 8.20 4.39 0.00 2.76 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 95 K 8.53 4.16 0.00 1.71 1.85 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.69 1.59 7.81 96 S 7.55 4.49 0.00 4.24 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 97 G 7.74 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 98 V 7.22 4.07 2.45 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 0.98 0.00 0.00 1.23 0.00 0.00 99 V 8.73 3.94 2.37 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 0.74 0.00 0.00 1.15 0.00 0.00 100 R 7.56 4.64 0.00 1.89 1.71 0.00 3.14 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 101 V 8.41 4.54 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.05 0.00 0.00 102 R 8.58 4.44 0.00 1.64 1.76 0.00 3.06 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 103 I 8.00 4.22 1.51 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.40 0.00 0.00 104 E 8.69 4.60 0.00 1.82 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 2.17 2.17 0.00 105 A 8.60 4.57 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 0.00 106 E 8.41 4.57 0.00 2.11 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 2.25 2.23 0.00 107 N 8.51 4.40 0.00 2.72 2.90 0.00 0.00 6.80 7.65 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 0.00 108 E 8.93 4.27 0.00 2.11 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 2.29 2.36 0.00 109 K 8.28 4.05 0.00 1.79 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.57 7.81 110 N 8.35 4.33 0.00 2.71 2.80 0.00 0.00 6.97 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 0.00 111 V 8.52 3.65 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 0.82 0.00 0.00 1.00 0.00 0.00 112 P 0.00 4.54 0.00 2.23 2.10 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 113 Q 8.07 4.47 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 114 E 8.97 3.94 0.00 2.11 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 2.34 2.34 0.00 115 E 8.72 3.91 0.00 1.91 1.87 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 2.30 2.37 0.00 116 G 8.53 3.45 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 0.00 0.00 0.00 *118 V 7.19 4.18 2.33 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 1.13 0.00 0.00 1.02 0.00 0.00 119 P 0.00 4.91 0.00 2.15 2.03 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 120 F 9.86 4.99 0.00 3.06 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 0.00 121 V 8.49 4.69 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 1.09 0.00 0.00 0.94 0.00 0.00 122 F 9.45 5.02 0.00 3.10 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 0.00 123 V 8.78 4.92 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 1.18 0.00 0.00 0.99 0.00 0.00 124 G 8.64 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.32 3.89 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 0.32 0.00 0.00 126 K 8.41 3.77 0.00 1.61 1.78 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 127 D 7.78 4.23 0.00 2.46 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 0.00 128 S 7.83 4.18 0.00 4.12 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 0.00 129 I 7.84 3.50 1.87 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 1.47 0.75 0.65 0.00 0.00 130 A 7.96 3.85 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 0.00 131 N 8.11 4.11 0.00 2.69 2.90 0.00 0.00 7.13 7.49 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 0.00 132 A 8.02 4.05 1.08 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 0.00 133 T 8.02 3.64 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 1.12 0.00 0.00 134 V 7.58 3.61 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 0.80 0.00 0.00 0.91 0.00 0.00 135 L 7.75 4.10 0.00 1.85 1.81 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.17 3.99 0.00 1.99 1.69 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.48 4.37 0.00 2.81 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 0.00 138 Y 8.47 4.10 0.00 3.10 3.12 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 0.00 139 H 8.19 4.29 0.00 3.28 3.54 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.24 4.10 0.00 1.63 1.70 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.24 4.74 0.00 2.77 2.85 0.00 0.00 7.06 7.39 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 0.00 142 Y 7.63 4.27 0.00 2.80 2.91 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 0.00 143 L 7.37 3.56 0.00 1.27 1.34 0.69 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.08 4.06 0.00 1.55 1.51 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 1.13 7.81 * Residues marked with a * may have inaccurate shift predictions.