NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5179 0.0000 0.0000 62.0105 34.0473 175.4154 3 S 5.1027 8.0547 110.9530 56.7027 65.7071 171.6775 4 I 4.7357 9.3793 125.1853 59.9344 42.5652 173.4115 5 K 5.0588 8.7314 124.6789 54.9377 34.4171 175.2404 6 L 5.0380 9.1866 124.7581 53.0387 45.0124 175.3193 7 Q 5.2076 8.7795 123.4695 54.0857 31.5207 174.9989 8 S 4.8797 9.5874 122.8334 58.2137 63.7340 175.4647 9 S 4.3062 9.4883 117.6185 60.0319 63.5391 174.9127 10 D 4.7538 8.0857 119.5070 53.7455 39.9540 175.8064 11 G 4.3190 8.8532 113.0506 47.0515 0.0000 175.3789 12 E 3.9457 7.9822 119.8422 56.5665 30.7903 176.3158 13 I 5.6006 7.8666 122.7761 58.8591 39.8735 174.7372 14 F 4.8071 9.0447 125.6930 55.6522 41.9095 174.5323 15 E 5.0321 8.9589 123.0377 55.4425 30.2973 175.7927 16 V 4.5401 8.5031 118.1642 59.0241 35.4556 175.1558 17 D 4.9460 8.4718 121.6794 54.0105 42.0147 177.3857 18 V 3.6014 8.3488 120.0595 64.9506 31.3032 178.5744 19 E 4.0171 9.3976 119.1149 58.9576 29.7550 178.5540 20 I 3.9405 7.5952 119.4035 64.0679 37.3462 177.9313 21 A 4.0352 8.3245 121.9841 54.9103 18.0056 179.3922 22 K 3.9305 7.9380 116.8993 59.0064 32.2838 178.5024 23 Q 4.3242 7.9425 117.2527 57.0371 28.8338 175.8111 24 S 4.5669 7.9125 116.2099 56.4280 62.8420 174.3883 25 V 3.6345 8.3149 128.9253 66.4730 30.9820 178.0179 26 T 3.7406 7.7241 115.1631 66.8317 68.2931 176.8647 27 I 3.7568 7.4920 120.7083 63.5341 36.7604 178.6220 28 K 3.8624 8.0928 120.8219 59.7966 32.4100 178.1959 29 T 3.9528 8.0411 113.5086 65.5063 67.2557 175.8306 30 M 4.0421 7.8207 120.2950 58.4109 31.9456 178.5159 31 L 4.2129 7.5047 116.1788 57.2135 41.9370 176.7257 32 E 4.4818 7.9650 116.1520 57.8825 32.3536 177.2101 33 D 4.7020 8.7218 117.0369 55.5265 40.7997 177.0468 34 L 4.5204 8.4497 118.1680 54.0100 48.5538 176.0519 35 G 4.0003 7.9639 105.9289 46.7868 0.0000 172.0312 36 M 4.4721 7.2469 117.5223 53.8402 34.4500 176.0546 *43 D 5.0920 7.6434 118.2376 54.4481 43.3546 175.3825 44 P 4.7467 0.0000 0.0000 61.7388 29.7486 173.7096 45 V 3.5608 8.5487 121.4200 62.6767 32.9262 173.1597 46 P 4.6439 0.0000 0.0000 62.5780 31.4416 177.0951 47 L 5.0953 8.4145 126.5345 52.2812 40.7594 175.9108 48 P 4.3094 0.0000 0.0000 64.7761 31.9287 177.8252 49 N 4.5500 7.8521 114.8370 52.6160 38.9119 174.4742 50 V 4.3449 7.5788 119.1210 60.9847 34.4213 175.2418 51 N 5.0010 8.8494 123.8854 51.0274 39.1267 175.4952 52 A 4.3174 8.9572 118.9502 55.2666 18.0524 179.7485 53 A 3.9633 7.9907 118.8740 55.4743 18.6631 179.6546 54 I 3.6594 7.6815 117.9101 64.4644 37.1635 178.4490 55 L 3.8688 7.9037 121.0772 58.0530 41.9887 178.9363 56 K 3.5836 7.5891 119.1497 59.0795 31.9580 179.0203 57 K 4.2569 7.7358 119.1732 59.4443 32.1356 179.4017 58 V 3.8086 8.2167 118.9630 66.0999 31.2905 178.2220 59 I 3.7669 8.1947 120.0313 64.2019 36.9160 177.9695 60 Q 4.0495 8.0630 119.9842 59.2180 29.0799 178.2964 61 W 3.9646 8.7216 129.6073 60.7651 30.4731 177.7093 62 C 4.4149 8.2774 115.7004 62.7122 27.8398 176.0431 63 T 3.9463 8.0788 118.0049 66.8259 67.8927 176.1272 64 H 3.5844 7.7520 118.7988 58.6599 29.8990 176.0852 65 H 5.4035 7.4517 118.0504 54.4272 29.7024 177.1163 66 K 3.9404 7.5593 123.0575 59.5028 32.4210 177.3240 67 D 4.6118 7.6546 117.1602 55.0757 42.3104 177.2610 68 D 4.4261 7.3744 119.8997 53.6188 41.8883 174.6064 *85 I 4.2530 8.1200 121.7709 61.3608 38.0895 174.2282 86 P 4.4396 0.0000 0.0000 62.8789 33.2636 177.4423 87 V 3.7009 8.3897 118.8291 65.8318 31.5085 178.3024 88 W 4.0837 8.2709 127.8155 60.4601 30.5662 177.5225 89 D 4.5726 8.4882 118.3955 57.6500 40.2010 178.4926 90 Q 4.0268 7.9554 117.3949 59.1243 28.9362 178.7907 91 E 4.0476 8.4068 118.4212 58.9001 29.3744 179.0445 92 F 3.8218 7.7122 121.3146 60.8822 39.4512 176.3694 93 L 4.2404 8.2435 116.5861 54.2680 43.2155 178.7088 94 K 4.3130 7.1185 121.6602 54.4392 28.9360 174.8156 95 V 4.4940 6.6262 114.0931 58.0870 36.4211 176.0000 96 D 4.5543 8.2534 120.6213 53.5085 41.0145 177.0946 97 Q 4.2118 8.8434 119.7045 59.3806 28.5453 179.5818 98 G 3.6162 8.0863 106.0821 48.1929 0.0000 175.4095 99 T 3.8864 8.4949 119.0099 66.1109 68.5105 176.4283 100 L 3.9345 7.9237 121.9638 58.0911 41.9088 178.8216 101 F 3.9746 8.3918 120.7197 61.2612 39.3097 177.0662 102 E 4.1218 8.7427 118.7629 59.2020 29.1412 179.3936 103 L 3.9421 8.2273 119.5439 57.9435 41.7250 179.4594 104 I 3.3952 7.8070 119.8140 64.2132 36.6364 178.6178 105 L 3.8042 7.4990 119.5401 57.6395 41.4767 178.9288 106 A 4.5029 8.3353 120.8366 55.4790 18.2384 179.2429 107 A 3.8097 8.6534 119.4714 55.4351 18.2875 179.4757 108 N 4.1505 8.1898 115.2102 56.9732 38.9082 176.1299 109 Y 4.2798 8.7315 120.4073 61.1098 39.2414 178.0144 110 L 3.6817 8.6474 118.2956 54.3021 43.0518 175.7020 111 D 4.6126 7.7358 117.4327 55.2620 39.7594 172.6277 112 I 4.7628 7.9231 122.7707 58.1029 37.5591 176.4098 113 K 3.9859 8.2950 125.3083 59.4013 31.8721 177.4179 114 G 3.7326 8.0683 105.2454 48.0195 0.0000 175.3433 115 L 2.5864 7.1350 122.6498 56.3040 42.0911 178.4359 116 L 3.9425 7.7301 122.0098 57.0704 41.8740 178.3320 117 D 4.2302 7.8852 118.2062 57.4638 41.2594 178.5793 118 V 3.6780 7.3910 112.4098 64.5786 31.6606 178.7256 119 T 3.8304 7.5788 109.3681 65.1239 68.5279 176.4298 120 C 4.2134 7.9160 119.2191 62.3512 28.0513 176.2511 121 K 4.1907 8.3264 120.1643 59.4659 31.5940 179.6620 122 T 3.9130 8.0149 116.5328 66.5901 68.4019 177.0189 123 V 3.7527 7.8563 119.9514 65.8028 31.5081 177.9382 124 A 4.0468 8.4192 121.1425 55.3017 18.0230 179.3600 125 N 4.4575 8.2700 113.9969 56.2559 38.6252 177.2901 126 M 4.2670 7.7009 119.4943 58.1227 32.2487 178.4556 127 I 3.9324 7.9297 120.0012 63.3917 37.5108 176.7464 128 K 3.7785 7.2723 117.7239 58.4815 32.5877 175.8507 129 G 4.3612 9.0348 116.4596 45.6848 0.0000 174.3486 130 K 4.0613 7.1848 119.2921 55.9573 32.7068 177.7807 131 T 4.3543 8.4235 113.3315 60.2981 71.4501 174.0827 132 P 4.2475 0.0000 0.0000 65.9019 31.1873 178.6118 133 E 3.9638 8.0727 117.5003 59.3687 29.7955 178.5659 134 E 4.0100 7.8745 117.1808 59.1230 29.3834 179.4628 135 I 3.7189 7.9609 120.3973 64.2183 37.2186 178.5438 136 R 4.0125 7.8130 118.5062 59.7207 29.9016 178.4312 137 K 3.8312 8.2797 118.0908 60.2540 31.7355 178.7772 138 T 3.5550 7.8822 109.3884 66.6002 68.5883 175.0477 139 F 5.0647 7.7012 122.5115 55.3687 40.4639 175.0870 140 N 4.1871 7.7026 115.7007 53.8666 36.8469 171.5625 141 I 4.5668 8.2195 119.9373 58.3060 40.3019 175.7514 142 K 3.9985 8.5358 126.3966 56.2074 32.6225 176.3666 143 N 4.6452 8.4920 124.8174 52.7684 37.6077 174.3011 144 D 4.4028 8.1992 125.0083 55.8224 41.3546 177.2312 145 F 4.8223 7.6751 117.6628 57.5240 39.9019 174.4584 146 T 4.7069 8.8295 118.6654 61.7156 70.4642 176.1812 147 E 4.2181 8.8229 124.4955 58.8484 29.6618 178.3869 148 E 4.3299 8.0768 118.4231 57.3684 30.7161 177.6105 149 E 4.1888 8.6935 118.9912 59.1989 29.8602 178.5434 150 E 3.7824 8.0340 117.7252 58.9503 29.3382 179.1145 151 A 3.9725 7.4472 120.1969 54.8592 18.4395 179.3894 152 Q 3.9104 7.6034 116.7388 58.9291 29.0178 178.0197 153 V 3.8542 7.8507 120.0169 65.4652 31.5400 177.6333 154 R 3.9577 7.7730 118.0308 59.3273 29.6729 178.4319 155 K 3.9961 7.8033 119.2859 59.4157 32.1271 178.4159 156 E 4.3170 8.9596 118.3512 57.9604 29.0851 177.7515 157 N 5.0785 7.3129 115.0305 53.0519 39.8994 175.7878 158 Q 4.0323 8.3282 119.8246 59.1392 28.9205 179.0340 159 W 4.4367 8.1761 113.3597 59.4866 28.4063 175.3256 160 C 3.3704 6.2487 122.5349 58.9581 30.6876 172.7257 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 P 0.00 4.52 0.00 1.78 2.13 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 3 S 8.05 5.10 0.00 3.91 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 4 I 9.38 4.74 1.90 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 1.24 0.67 0.94 0.00 0.00 5 K 8.73 5.06 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.47 7.81 6 L 9.19 5.04 0.00 1.71 1.65 0.94 0.75 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 7 Q 8.78 5.21 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 8 S 9.59 4.88 0.00 4.08 4.29 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 9 S 9.49 4.31 0.00 3.93 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 0.00 10 D 8.09 4.75 0.00 2.78 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 11 G 8.85 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 12 E 7.98 3.95 0.00 2.02 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 2.21 2.32 0.00 13 I 7.87 5.60 1.80 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 1.37 1.15 0.93 0.00 0.00 14 F 9.04 4.81 0.00 3.02 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 15 E 8.96 5.03 0.00 1.89 1.95 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 2.28 2.35 0.00 16 V 8.50 4.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.02 0.00 0.00 17 D 8.47 4.95 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.35 3.60 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 0.73 0.00 0.00 0.93 0.00 0.00 19 E 9.40 4.02 0.00 1.88 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 2.30 2.38 0.00 20 I 7.60 3.94 1.99 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 1.54 0.71 0.96 0.00 0.00 21 A 8.32 4.04 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 22 K 7.94 3.93 0.00 1.90 2.07 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 23 Q 7.94 4.32 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.52 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 24 S 7.91 4.57 0.00 3.80 3.87 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 25 V 8.31 3.63 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 1.03 0.00 0.00 0.98 0.00 0.00 26 T 7.72 3.74 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 0.79 0.00 0.00 27 I 7.49 3.76 1.97 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 1.35 1.26 0.90 0.00 0.00 28 K 8.09 3.86 0.00 1.93 1.93 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.43 7.81 29 T 8.04 3.95 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 1.27 0.00 0.00 30 M 7.82 4.04 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 31 L 7.50 4.21 0.00 1.73 1.74 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.97 4.48 0.00 2.19 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 0.00 2.22 2.39 0.00 33 D 8.72 4.70 0.00 2.72 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 34 L 8.45 4.52 0.00 1.78 1.65 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 7.25 4.47 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 *43 D 7.64 5.09 0.00 2.68 2.63 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 44 P 0.00 4.75 0.00 1.96 2.04 0.00 3.72 0.00 0.00 3.60 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 45 V 8.55 3.56 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.06 0.00 0.00 46 P 0.00 4.64 0.00 2.02 2.04 0.00 3.70 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 2.31 0.00 47 L 8.41 5.10 0.00 1.90 1.76 0.97 0.86 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 48 P 0.00 4.31 0.00 2.15 2.20 0.00 3.98 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 49 N 7.85 4.55 0.00 1.44 2.10 0.00 0.00 6.62 7.68 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 50 V 7.58 4.34 2.20 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 0.94 0.00 0.00 1.20 0.00 0.00 51 N 8.85 5.00 0.00 3.15 3.00 0.00 0.00 6.62 7.38 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 52 A 8.96 4.32 1.67 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 0.00 0.00 53 A 7.99 3.96 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 54 I 7.68 3.66 1.89 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 1.63 0.87 0.93 0.00 0.00 55 L 7.90 3.87 0.00 1.89 1.16 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.59 3.58 0.00 2.01 2.04 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.70 7.81 57 K 7.74 4.26 0.00 2.09 2.04 0.00 1.85 0.00 0.00 1.54 0.00 0.00 2.51 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.72 1.55 7.81 58 V 8.22 3.81 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 1.07 0.00 0.00 1.01 0.00 0.00 59 I 8.19 3.77 1.84 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 1.38 0.60 0.95 0.00 0.00 60 Q 8.06 4.05 0.00 2.48 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.77 2.64 0.00 61 W 8.72 3.96 0.00 3.02 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 62 C 8.28 4.41 0.00 3.32 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 63 T 8.08 3.95 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 1.14 0.00 0.00 64 H 7.75 3.58 0.00 2.09 2.53 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.45 5.40 0.00 2.44 2.84 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.56 3.94 0.00 1.80 1.95 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 67 D 7.65 4.61 0.00 2.56 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 68 D 7.37 4.43 0.00 2.76 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 *85 I 8.12 4.25 1.94 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 1.49 0.54 1.03 0.00 0.00 86 P 0.00 4.44 0.00 2.37 2.14 0.00 3.77 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 2.28 2.28 0.00 87 V 8.39 3.70 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 1.17 0.00 0.00 0.99 0.00 0.00 88 W 8.27 4.08 0.00 3.44 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 89 D 8.49 4.57 0.00 3.15 3.02 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 90 Q 7.96 4.03 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.90 0.00 91 E 8.41 4.05 0.00 2.15 2.16 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 2.18 2.35 0.00 92 F 7.71 3.82 0.00 1.93 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 93 L 8.24 4.24 0.00 1.62 1.61 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.12 4.31 0.00 1.80 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.58 7.81 95 V 6.63 4.49 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 0.62 0.00 0.00 0.84 0.00 0.00 96 D 8.25 4.55 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.84 4.21 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 98 G 8.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.49 3.89 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 1.13 0.00 0.00 100 L 7.92 3.93 0.00 1.78 1.87 0.88 0.98 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 0.00 101 F 8.39 3.97 0.00 3.24 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 0.00 102 E 8.74 4.12 0.00 2.23 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 2.62 2.54 0.00 103 L 8.23 3.94 0.00 1.77 1.64 0.74 0.67 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 0.00 104 I 7.81 3.40 1.60 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 1.40 0.74 0.74 0.00 0.00 105 L 7.50 3.80 0.00 1.80 1.65 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.34 4.50 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 0.00 107 A 8.65 3.81 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 0.00 108 N 8.19 4.15 0.00 2.91 2.95 0.00 0.00 6.85 7.08 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 0.00 109 Y 8.73 4.28 0.00 2.73 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 0.00 110 L 8.65 3.68 0.00 1.64 1.54 0.91 0.94 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 0.00 111 D 7.74 4.61 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 4.76 1.76 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 1.33 0.51 0.93 0.00 0.00 113 K 8.29 3.99 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.63 7.81 114 G 8.07 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 0.00 115 L 7.14 2.59 0.00 0.27 1.03 0.67 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.73 3.94 0.00 1.83 1.64 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.89 4.23 0.00 2.96 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 0.00 118 V 7.39 3.68 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 1.01 0.00 0.00 0.89 0.00 0.00 119 T 7.58 3.83 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 1.11 0.00 0.00 120 C 7.92 4.21 0.00 2.98 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 0.00 121 K 8.33 4.19 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.47 1.65 7.81 122 T 8.01 3.91 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 123 V 7.86 3.75 2.16 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 0.77 0.00 0.00 0.97 0.00 0.00 124 A 8.42 4.05 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 0.00 125 N 8.27 4.46 0.00 2.89 2.93 0.00 0.00 7.10 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 0.00 126 M 7.70 4.27 0.00 2.04 2.58 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.62 0.00 127 I 7.93 3.93 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.24 0.98 0.00 0.00 128 K 7.27 3.78 0.00 1.78 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.75 7.81 129 G 9.03 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 0.00 0.00 0.00 0.00 130 K 7.18 4.06 0.00 1.85 1.73 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.42 7.81 131 T 8.42 4.35 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 1.22 0.00 0.00 132 P 0.00 4.25 0.00 2.19 2.20 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 133 E 8.07 3.96 0.00 2.08 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 2.37 2.45 0.00 134 E 7.87 4.01 0.00 2.23 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 2.30 2.33 0.00 135 I 7.96 3.72 2.13 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 1.56 1.41 1.15 0.00 0.00 136 R 7.81 4.01 0.00 2.03 2.17 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 137 K 8.28 3.83 0.00 1.87 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.73 7.81 138 T 7.88 3.55 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 1.06 0.00 0.00 139 F 7.70 5.06 0.00 3.12 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 0.00 140 N 7.70 4.19 0.00 2.81 2.80 0.00 0.00 6.90 7.99 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 0.00 141 I 8.22 4.57 1.94 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 1.33 1.19 0.94 0.00 0.00 142 K 8.54 4.00 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 143 N 8.49 4.65 0.00 2.77 2.79 0.00 0.00 7.13 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 0.00 144 D 8.20 4.40 0.00 2.30 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 7.68 4.82 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 0.00 146 T 8.83 4.71 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 1.28 0.00 0.00 147 E 8.82 4.22 0.00 2.04 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 2.42 2.34 0.00 148 E 8.08 4.33 0.00 2.01 1.95 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 2.33 2.32 0.00 149 E 8.69 4.19 0.00 2.38 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 0.00 2.40 2.43 0.00 150 E 8.03 3.78 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.54 0.00 151 A 7.45 3.97 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 0.00 152 Q 7.60 3.91 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 153 V 7.85 3.85 1.79 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 1.02 0.00 0.00 0.61 0.00 0.00 154 R 7.77 3.96 0.00 1.92 2.10 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 155 K 7.80 4.00 0.00 1.97 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.57 7.81 156 E 8.96 4.32 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 157 N 7.31 5.08 0.00 2.60 2.65 0.00 0.00 6.99 7.50 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 0.00 158 Q 8.33 4.03 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 159 W 8.18 4.44 0.00 3.57 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 0.00 160 C 6.25 3.37 0.00 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.