NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.5203 8.0976 119.0983 56.4089 32.0909 177.4475 5 D 4.2989 8.1487 119.3168 55.3231 39.0620 173.2099 6 V 3.5168 8.6429 120.4732 65.9881 32.0523 179.2003 7 F 3.9879 8.3685 116.9120 60.4854 38.8127 177.0198 8 H 4.0933 8.5083 118.1166 59.4241 29.6162 177.2446 9 E 3.9910 8.4992 120.5605 59.1827 29.1550 179.3878 10 V 3.7892 7.8968 119.9252 65.5097 31.5520 178.3283 11 V 3.1691 7.6375 117.8015 65.6395 31.1843 178.0553 12 K 3.8861 7.9240 118.2649 59.7330 31.8963 179.3651 13 T 3.8253 8.1850 115.9921 66.5806 67.9648 176.5012 14 A 4.2219 8.0753 124.1548 54.5341 18.4060 179.5715 15 L 4.0237 8.2015 117.8228 58.1576 41.7320 180.0596 16 K 4.4008 8.2651 119.7140 58.9210 31.7175 179.5806 17 K 4.0571 8.1792 118.0602 58.9690 31.9479 177.9709 18 D 4.9175 7.6676 115.9007 53.8621 41.0063 177.2624 19 G 3.8799 8.1680 107.6579 45.0853 0.0000 173.9201 20 W 4.3772 8.1992 120.1765 56.2387 30.6830 175.0123 21 Q 4.6715 9.1074 125.8359 54.6345 30.2580 174.4793 22 I 4.5500 8.5424 128.3041 61.6055 37.1963 175.7028 23 T 4.5464 8.9372 117.6064 62.5024 70.8663 174.6828 24 D 4.7192 7.7576 120.5525 53.2163 45.7186 174.4767 25 D 4.7294 8.4282 121.0056 53.1857 42.6053 172.8675 26 P 4.8056 0.0000 0.0000 62.0353 32.9502 175.6158 27 L 4.3328 8.6279 125.1302 55.0002 42.3456 176.0100 28 T 4.5768 8.4385 116.9137 60.3551 70.9723 174.1485 29 I 4.5860 8.1579 123.8210 59.7009 40.8508 174.4874 30 S 5.0806 8.6037 123.0031 56.6164 65.6317 173.8475 31 V 4.3462 9.1096 123.3840 61.6936 34.0826 173.6475 32 G 3.9018 9.7943 109.2762 46.8099 0.0000 174.4808 33 G 3.9478 8.7638 105.6668 44.8214 0.0000 174.1109 34 V 4.3223 7.8193 119.0545 60.6814 34.3316 173.7777 35 N 5.0995 8.6784 124.7484 51.9809 39.6675 174.0785 36 L 4.3123 8.4472 131.1847 54.3170 43.9427 177.2108 *44 K 4.1152 8.2856 122.7667 55.4946 32.6405 171.5990 45 L 4.2870 8.1745 126.5049 54.2511 43.1952 176.1951 46 I 4.7659 8.5648 123.2556 59.9072 39.2202 174.4212 47 A 5.2245 9.0164 129.0179 50.4803 21.2051 175.6134 48 A 5.3448 8.8981 122.6721 50.9660 23.5575 174.6113 49 E 5.4815 9.6217 116.2646 55.6453 33.8045 174.4744 50 R 4.2923 8.9676 120.8557 55.5489 33.6759 174.8135 51 Q 3.2104 9.5321 128.5156 57.1318 27.4303 174.6150 52 G 3.9454 8.1484 103.3818 45.6739 0.0000 173.8005 53 Q 4.2742 7.9356 120.4934 55.2110 29.5878 174.6806 54 K 5.2782 8.6162 122.5462 54.8013 34.8016 175.4242 55 I 5.3948 9.0838 116.7872 59.2303 41.7487 173.7687 56 A 5.2979 9.1709 124.1428 50.1771 22.5716 175.2324 57 V 4.8070 8.8936 121.3213 61.0930 34.3917 174.1174 58 E 4.7483 9.4601 130.3659 55.1714 30.3097 174.8408 59 V 4.4252 8.3533 127.8641 62.1799 32.4306 175.2597 60 K 4.8430 8.8622 126.4923 54.8094 35.0519 176.3578 61 S 4.1914 8.6417 116.2537 57.1974 65.0792 173.8844 62 F 3.8824 7.5446 118.1357 57.2123 35.8588 175.4489 63 L 4.1897 7.0652 120.2044 54.2543 42.6197 179.1579 64 K 4.0507 8.7275 123.7821 59.1172 32.2204 178.8857 65 Q 4.1398 7.6605 117.2240 57.1502 28.1242 181.9880 66 S 4.8860 7.6241 111.0469 55.5281 66.9604 174.2561 67 S 4.2223 8.3405 116.3631 58.4770 64.5130 175.1801 68 A 4.0904 8.4291 125.8903 55.3165 17.9891 179.9921 69 I 3.8431 7.6115 116.9093 64.2317 38.0420 178.1066 70 S 4.1742 8.1852 115.1720 61.6095 62.6944 176.3524 71 E 3.8443 8.1976 122.3154 58.8869 29.0714 179.1438 72 F 4.7150 8.7054 121.1951 61.6520 39.5361 176.6146 73 H 4.0629 8.4600 116.2221 59.4889 28.5049 177.8393 74 T 3.8377 7.7283 116.9553 66.5544 68.2842 176.6167 75 A 4.2421 8.1875 124.2586 54.4851 18.3103 179.5169 76 L 3.9691 8.2932 119.3144 58.1739 42.0852 179.3588 77 G 3.5568 8.0462 105.6511 47.9203 0.0000 175.5098 78 Q 3.4298 8.2007 121.0093 58.3303 28.6396 178.8056 79 F 4.2094 8.0984 122.7666 60.8737 39.4476 177.2039 80 I 3.7540 8.1356 119.5920 64.4278 36.8100 178.2645 81 N 4.2595 8.1919 117.3880 56.5801 38.3140 177.1413 82 Y 4.3216 8.0226 118.4036 61.0142 37.9007 178.6133 83 R 3.7865 8.1984 120.1981 59.3651 29.9434 178.8661 84 G 3.5635 7.9829 104.0842 47.6091 0.0000 175.2930 85 A 4.1611 8.3263 123.4166 55.0319 18.3843 179.7316 86 L 3.9614 8.2716 117.8872 57.9250 41.3931 179.7684 87 R 3.9230 7.7255 117.3246 58.9673 30.1349 178.2236 88 K 4.4136 7.6480 114.2828 56.2437 32.4038 176.8311 89 V 4.2331 7.3742 117.0294 63.9836 33.7964 175.6851 90 E 4.6381 8.2545 121.4286 53.6012 29.3560 173.5156 91 P 4.4075 0.0000 0.0000 64.1829 31.9820 177.7063 92 D 4.5514 7.9684 117.5485 54.5126 41.2701 175.6038 93 R 4.6657 7.8812 121.2141 54.7961 31.0683 175.5312 94 V 4.0885 8.5506 127.6434 61.8130 33.0772 174.4720 95 L 4.9208 8.3136 130.0253 54.6410 43.1029 175.1271 96 Y 5.1029 9.2338 123.2788 56.1375 41.9599 174.2522 97 L 5.0279 9.2279 125.9711 54.2320 43.3206 175.6350 98 A 4.8511 9.4183 129.5999 51.1696 20.4096 175.9651 99 V 4.8519 8.8719 122.9171 60.2660 34.8303 173.6515 100 P 4.0180 0.0000 0.0000 61.9598 32.1771 177.0757 101 L 3.9690 8.4620 123.5524 58.4984 41.3743 179.7025 102 T 3.8251 7.7909 109.2087 65.2433 68.6271 176.4023 103 T 3.8341 7.8179 118.2396 66.2698 68.3326 175.7213 104 Y 4.3446 8.1733 120.6958 60.9319 38.9215 178.2064 105 K 4.0339 8.2670 117.4229 58.1854 32.5419 176.7778 106 T 4.1718 7.5997 107.4014 61.8515 71.3873 176.0781 107 F 3.8121 8.4995 122.0793 60.6429 39.9514 176.9576 108 F 4.0460 7.6518 115.2417 58.4304 38.6500 175.9715 109 Q 4.2031 7.4931 119.2051 56.0009 29.5268 176.7741 110 L 4.0390 7.0756 119.1182 54.2182 43.5026 177.4443 111 D 4.2870 8.5753 122.6529 57.5714 40.7628 179.1156 112 F 4.0347 7.9932 120.2870 60.9258 39.5988 175.2424 113 P 3.7657 0.0000 0.0000 65.0221 31.0926 178.3713 114 K 3.7944 7.6522 118.4959 59.5683 32.0887 178.4286 115 E 3.8661 8.0305 119.3118 59.3245 29.6118 178.7655 116 I 3.6421 7.6165 120.1222 64.2667 37.0765 178.3667 117 I 3.7195 7.8805 120.6280 64.6375 37.0642 178.6177 118 I 3.7331 7.5928 120.0036 64.4276 36.7298 178.4282 119 E 4.0948 8.6584 118.6359 58.4788 29.2391 178.1386 120 N 4.8431 7.7791 113.9179 51.6479 39.4445 174.4825 121 Q 3.2930 7.7298 117.5223 56.8144 26.9441 175.4815 122 V 3.1527 7.6125 118.0487 61.7718 30.4807 175.2844 123 K 4.6490 7.9699 127.0328 55.2438 34.1828 175.5225 *125 L 3.9063 8.2667 121.5123 55.1556 43.2252 175.4025 126 V 4.6188 8.3212 128.3632 61.6672 32.9433 174.1996 127 Y 5.1857 8.5071 125.9867 55.1258 41.5044 174.0848 128 D 4.7064 9.0291 122.4095 53.4785 41.9688 177.2761 129 V 3.6941 8.5664 126.4297 66.1288 32.0299 176.7143 130 E 4.0600 8.2980 118.8057 59.1105 29.5509 177.4019 131 Q 4.1559 8.5689 115.4683 55.6798 29.6119 175.1744 132 E 3.9022 8.1799 117.4989 57.6246 27.2536 173.5818 133 V 4.5486 7.0386 110.7559 59.5266 37.1932 176.5632 134 I 4.1530 8.2654 123.5486 61.0803 37.0838 175.6937 135 F 4.5300 9.0562 130.8202 60.7266 40.0328 175.6580 136 Q 4.2604 7.3894 117.6978 54.5318 32.3266 172.5922 137 W 4.9677 8.6705 125.7096 55.3123 31.0679 175.7086 138 I 4.4396 8.6388 124.8350 59.7962 39.2364 175.6014 139 N 4.6572 8.8062 123.6507 53.3238 38.6833 175.4173 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 R 8.10 4.52 0.00 1.75 2.00 0.00 3.22 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 5 D 8.15 4.30 0.00 3.08 2.97 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 6 V 8.64 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 0.82 0.00 0.00 0.92 0.00 0.00 7 F 8.37 3.99 0.00 3.29 3.28 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 8 H 8.51 4.09 0.00 3.45 3.55 0.00 5.78 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 9 E 8.50 3.99 0.00 2.14 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 2.54 2.47 0.00 10 V 7.90 3.79 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 1.44 0.00 0.00 0.80 0.00 0.00 11 V 7.64 3.17 1.78 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 0.70 0.00 0.00 -0.01 0.00 0.00 12 K 7.92 3.89 0.00 1.97 1.82 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 13 T 8.19 3.83 4.45 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 1.25 0.00 0.00 14 A 8.08 4.22 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 15 L 8.20 4.02 0.00 1.84 1.82 0.80 0.15 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 16 K 8.27 4.40 0.00 1.95 1.90 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.54 7.81 17 K 8.18 4.06 0.00 1.97 1.93 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.69 7.81 18 D 7.67 4.92 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.17 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 0.00 0.00 0.00 20 W 8.20 4.38 0.00 3.46 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 21 Q 9.11 4.67 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 22 I 8.54 4.55 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.99 0.00 0.00 23 T 8.94 4.55 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 1.30 0.00 0.00 24 D 7.76 4.72 0.00 2.58 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 25 D 8.43 4.73 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.81 0.00 2.08 2.00 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 27 L 8.63 4.33 0.00 1.61 1.55 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.44 4.58 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 1.19 0.00 0.00 29 I 8.16 4.59 1.85 0.00 0.00 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 1.28 0.69 0.91 0.00 0.00 30 S 8.60 5.08 0.00 3.81 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 31 V 9.11 4.35 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 0.65 0.00 0.00 0.93 0.00 0.00 32 G 9.79 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 33 G 8.76 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 34 V 7.82 4.32 2.10 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 1.06 0.00 0.00 0.94 0.00 0.00 35 N 8.68 5.10 0.00 2.71 2.72 0.00 0.00 7.07 7.78 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 36 L 8.45 4.31 0.00 1.73 1.92 1.03 1.35 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 *44 K 8.29 4.12 0.00 1.57 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 45 L 8.17 4.29 0.00 1.45 1.51 0.41 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.56 4.77 1.82 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 1.06 0.66 0.88 0.00 0.00 47 A 9.02 5.22 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 48 A 8.90 5.34 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 9.62 5.48 0.00 2.15 2.10 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 2.25 2.28 0.00 50 R 8.97 4.29 0.00 0.67 0.66 0.00 2.75 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.19 0.00 51 Q 9.53 3.21 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 52 G 8.15 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 53 Q 7.94 4.27 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 54 K 8.62 5.28 0.00 1.92 1.76 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.45 7.81 55 I 9.08 5.39 2.05 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.84 0.00 0.00 56 A 9.17 5.30 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 57 V 8.89 4.81 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 0.93 0.00 0.00 0.93 0.00 0.00 58 E 9.46 4.75 0.00 2.31 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 0.00 2.46 2.50 0.00 59 V 8.35 4.43 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 0.96 0.00 0.00 0.86 0.00 0.00 60 K 8.86 4.84 0.00 2.06 1.42 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.60 7.81 61 S 8.64 4.19 0.00 2.72 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 62 F 7.54 3.88 0.00 3.13 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 63 L 7.07 4.19 0.00 1.63 1.54 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.73 4.05 0.00 2.00 1.87 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.01 7.81 65 Q 7.66 4.14 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 66 S 7.62 4.89 0.00 3.91 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 67 S 8.34 4.22 0.00 4.03 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 68 A 8.43 4.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.61 3.84 2.05 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.42 0.95 0.00 0.00 70 S 8.19 4.17 0.00 4.12 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.20 3.84 0.00 2.07 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 2.13 2.31 0.00 72 F 8.71 4.71 0.00 3.28 3.39 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 0.00 73 H 8.46 4.06 0.00 3.36 3.29 0.00 5.67 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 74 T 7.73 3.84 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 75 A 8.19 4.24 1.56 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 0.00 0.00 76 L 8.29 3.97 0.00 1.07 1.54 0.88 0.64 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 77 G 8.05 3.56 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 0.00 0.00 0.00 78 Q 8.20 3.43 0.00 2.35 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 79 F 8.10 4.21 0.00 3.35 3.23 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 80 I 8.14 3.75 1.88 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 1.66 0.73 0.92 0.00 0.00 81 N 8.19 4.26 0.00 2.53 2.72 0.00 0.00 7.07 8.11 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 82 Y 8.02 4.32 0.00 2.76 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 83 R 8.20 3.79 0.00 1.27 1.87 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 84 G 7.98 3.56 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 0.00 0.00 0.00 85 A 8.33 4.16 1.44 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 0.00 0.00 0.00 86 L 8.27 3.96 0.00 1.81 1.70 0.87 0.83 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 87 R 7.73 3.92 0.00 1.97 2.00 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 88 K 7.65 4.41 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.57 7.81 89 V 7.37 4.23 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 0.80 0.00 0.00 0.94 0.00 0.00 90 E 8.25 4.64 0.00 1.94 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 2.23 0.00 91 P 0.00 4.41 0.00 2.21 2.35 0.00 3.80 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 1.98 1.98 0.00 92 D 7.97 4.55 0.00 2.69 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 93 R 7.88 4.67 0.00 1.84 1.96 0.00 3.25 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 94 V 8.55 4.09 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 0.72 0.00 0.00 0.95 0.00 0.00 95 L 8.31 4.92 0.00 1.52 1.24 0.95 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 9.23 5.10 0.00 3.16 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 97 L 9.23 5.03 0.00 1.70 1.68 1.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 98 A 9.42 4.85 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 V 8.87 4.85 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 1.05 0.00 0.00 0.86 0.00 0.00 100 P 0.00 4.02 0.00 2.14 1.78 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 101 L 8.46 3.97 0.00 1.72 1.54 0.68 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.79 3.83 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 1.19 0.00 0.00 103 T 7.82 3.83 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 0.77 0.00 0.00 104 Y 8.17 4.34 0.00 2.93 3.22 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 0.00 105 K 8.27 4.03 0.00 1.73 1.79 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.65 7.81 106 T 7.60 4.17 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 1.23 0.00 0.00 107 F 8.50 3.81 0.00 2.75 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 0.00 108 F 7.65 4.05 0.00 3.10 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 0.00 109 Q 7.49 4.20 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.86 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 110 L 7.08 4.04 0.00 1.42 1.40 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.58 4.29 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.99 4.03 0.00 3.12 2.99 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 0.00 113 P 0.00 3.77 0.00 1.39 0.71 0.00 3.42 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.08 0.00 114 K 7.65 3.79 0.00 1.93 1.91 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.40 7.81 115 E 8.03 3.87 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 2.27 2.39 0.00 116 I 7.62 3.64 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.36 1.00 0.00 0.00 117 I 7.88 3.72 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.86 0.89 0.00 0.00 118 I 7.59 3.73 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.91 0.00 0.00 119 E 8.66 4.09 0.00 2.00 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 2.58 0.00 120 N 7.78 4.84 0.00 2.83 2.85 0.00 0.00 7.13 7.67 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 0.00 121 Q 7.73 3.29 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.14 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 122 V 7.61 3.15 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 -0.07 0.00 0.00 0.70 0.00 0.00 123 K 7.97 4.65 0.00 1.67 1.59 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.66 1.41 7.81 *125 L 8.27 3.91 0.00 1.45 1.46 0.41 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.32 4.62 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 0.88 0.00 0.00 0.20 0.00 0.00 127 Y 8.51 5.19 0.00 3.10 2.83 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 0.00 128 D 9.03 4.71 0.00 2.72 2.61 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 0.00 129 V 8.57 3.69 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 0.77 0.00 0.00 1.11 0.00 0.00 130 E 8.30 4.06 0.00 1.96 1.96 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 2.29 2.33 0.00 131 Q 8.57 4.16 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 132 E 8.18 3.90 0.00 2.21 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 2.40 2.26 0.00 133 V 7.04 4.55 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 0.91 0.00 0.00 0.99 0.00 0.00 134 I 8.27 4.15 1.97 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.52 0.26 0.00 0.00 135 F 9.06 4.53 0.00 2.93 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.39 4.26 0.00 0.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.68 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 137 W 8.67 4.97 0.00 3.14 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 0.00 138 I 8.64 4.44 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.96 0.00 0.00 139 N 8.81 4.66 0.00 2.79 2.79 0.00 0.00 7.01 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.