NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.6199 8.2544 119.0986 55.3731 31.5569 174.3987 2 L 4.6454 8.1511 119.9152 56.1641 43.6847 174.5194 3 G 4.1905 10.5117 117.0514 44.8266 0.0000 171.7533 4 E 4.7304 7.7636 114.8614 54.4072 32.4382 174.7150 5 V 4.0364 8.1888 122.6793 63.1051 32.2397 175.0131 6 F 4.8411 9.2066 125.3469 55.6804 43.8986 173.8127 7 V 5.4726 8.9149 120.2904 60.6457 33.2431 174.4402 8 L 4.8539 8.6286 127.2440 54.1302 44.4128 174.9789 9 D 5.2432 8.5799 118.7198 52.8123 41.8743 176.2831 10 E 4.3463 9.2312 126.2258 56.4729 31.2814 177.4709 *11 E 4.6521 8.3167 119.3335 55.7531 32.9539 174.9096 12 E 4.8117 8.5810 116.7793 56.7096 31.2572 175.7796 13 I 4.4447 8.0328 126.7691 59.5332 39.8610 174.5977 14 R 4.8432 8.4690 127.2813 55.5236 31.7866 174.9458 15 I 5.3284 9.0049 118.6608 59.5390 42.1050 173.5799 16 I 5.2276 8.7166 123.2025 59.6892 40.1245 175.0095 17 Q 5.2839 9.0567 123.4307 55.6092 32.8204 173.1129 18 T 5.0363 9.1820 109.5514 59.9580 73.0930 172.6964 19 E 4.5703 8.9091 121.3041 56.4864 29.9951 178.2386 20 A 3.9200 8.2081 127.9450 49.4485 17.2357 174.3366 21 E 3.8507 8.4666 118.8155 56.5036 29.7760 177.2783 22 G 4.3009 8.5509 117.1136 46.1775 0.0000 172.2294 23 I 3.7228 7.3859 119.0971 60.7738 38.6105 174.3465 24 G 4.0669 9.7698 115.0075 42.2153 0.0000 171.4198 25 P 3.8813 0.0000 0.0000 65.5996 30.7631 178.4430 26 E 3.7260 7.8648 114.4677 59.8125 29.0451 178.6004 27 N 4.4529 8.2303 117.1808 55.7067 38.6810 177.5734 28 V 3.4941 7.4219 119.1586 65.3031 31.4747 177.3921 29 L 4.2125 7.8221 117.1875 56.2348 41.7471 177.0825 30 N 4.8292 7.4665 114.5443 53.1301 39.8005 174.4884 31 A 4.3592 7.0924 125.6967 51.6146 23.0108 177.7597 32 S 4.7714 8.4174 113.8642 57.9771 66.0673 174.3201 33 Y 3.9957 7.8105 116.7869 59.5521 37.0860 178.2423 34 S 4.2332 7.8973 117.2707 61.2495 62.9279 176.5074 35 K 3.8922 8.1151 121.4758 59.5769 31.7797 178.8435 36 L 4.0625 7.7299 118.9428 57.9373 41.6386 179.3762 37 K 3.1397 7.0811 118.9011 59.6186 31.6895 178.3762 38 K 3.8264 7.5578 116.5903 59.7390 32.0264 179.0383 39 F 4.1045 8.4591 117.1792 59.2495 38.5791 176.0160 40 I 4.4630 7.3429 117.1866 60.6506 37.9890 176.7079 41 E 3.8272 8.1857 118.6364 58.3080 29.3721 177.0833 42 S 4.4794 7.1913 114.5719 58.6548 63.2993 173.2697 *48 N 4.5059 7.8864 118.6238 53.5279 39.7429 172.8798 49 N 4.5395 8.7280 116.4751 55.6405 39.3739 175.2365 50 S 4.8678 7.7603 111.1282 57.2865 65.2832 172.7151 51 Y 4.7303 7.5079 118.5727 55.9176 42.2520 173.3399 52 G 3.6750 7.6242 104.8112 45.7842 0.0000 171.8476 53 A 5.4399 9.0931 120.7466 50.6081 23.2514 175.3177 54 T 5.2726 8.7664 114.6608 61.9890 72.7180 173.4741 55 F 5.3487 8.4381 118.6563 55.1216 41.8384 173.5878 56 S 4.7136 9.0525 115.4552 58.2150 62.8953 173.4214 57 F 4.6103 8.8941 129.2455 57.8793 39.5741 174.3835 58 Q 4.1355 7.5778 125.5995 53.8258 32.7713 173.5267 59 P 4.3338 0.0000 0.0000 61.2912 30.0173 175.2579 60 Y 4.3316 7.5480 121.7577 59.3532 38.7631 176.4951 61 T 4.6777 9.2317 112.6799 60.8690 69.8001 174.4105 62 S 4.0699 7.6813 114.9546 57.9868 64.6247 175.9777 63 I 3.9150 7.4861 124.0982 60.9615 36.9014 175.4529 64 D 5.3153 8.2052 135.0000 54.4970 36.5995 178.1043 65 E 4.1325 7.3381 119.7090 58.9538 29.7736 177.4214 66 M 3.9866 7.4654 117.0481 55.2213 32.7336 175.5817 67 T 4.2496 7.5613 114.3885 60.9498 70.4800 173.0517 68 Y 4.7058 8.3239 126.9078 58.6952 38.5280 175.4214 69 R 4.4676 9.6666 121.9484 58.1619 32.3224 175.7171 70 H 5.5961 8.0255 113.7818 54.4563 33.8503 172.1863 71 I 5.0208 8.9811 122.4108 59.6784 40.0666 174.8369 72 F 5.5054 8.6749 120.2065 56.2599 42.3656 173.2156 73 T 4.9032 9.2357 114.2613 61.5260 72.8986 172.5317 74 P 4.8933 0.0000 0.0000 63.1373 32.4365 175.8204 75 V 4.7005 8.3162 115.6132 59.8546 34.3644 174.8487 76 L 4.4620 8.3070 116.6244 57.7188 43.2138 177.4589 *81 I 4.1207 7.7153 118.0517 60.2192 38.9910 175.3081 82 S 4.6145 7.7378 113.5650 57.5900 65.3482 172.6080 83 S 3.7410 8.5351 111.0011 59.9241 59.9859 171.2218 84 I 4.4569 7.6461 111.3974 58.8319 39.5151 175.4965 85 T 4.3334 8.1783 113.9783 60.2488 70.6288 172.4283 86 P 4.5244 0.0000 0.0000 63.1396 32.6958 177.0837 87 D 4.5093 8.9991 118.7776 55.1624 38.7168 173.2156 88 M 4.9926 8.0363 118.7417 53.9847 36.0984 174.0048 89 E 4.7650 9.5264 124.3255 54.4131 33.2826 174.3101 90 I 4.9787 8.2517 126.1285 60.3452 38.9334 175.0622 91 T 4.6319 8.4747 117.2942 61.6474 71.9957 171.7961 92 T 4.8520 8.2837 110.4726 61.3608 72.2776 173.7234 93 I 4.2108 8.0073 121.6915 57.6961 37.0947 172.5896 94 P 4.3469 0.0000 0.0000 61.3059 32.3058 177.0485 95 K 4.3988 8.0833 119.3533 56.0173 33.5884 177.0196 96 G 3.8135 8.0442 107.4656 46.0894 0.0000 170.5207 97 R 4.9746 7.6276 119.5065 55.3708 31.5970 175.6263 98 Y 5.1773 9.6695 123.9483 56.0986 42.1027 174.5271 99 A 4.8726 8.5818 124.7433 50.8921 20.5373 175.6239 100 C 5.3710 9.4758 123.2039 58.1601 35.4661 173.1033 101 I 4.9727 8.9248 124.1206 59.9043 40.7463 173.2560 102 A 5.5945 8.7835 131.7537 50.7178 21.8982 174.6126 103 Y 5.2272 8.4042 118.2135 56.2526 42.2897 172.9891 104 N 5.1932 8.8294 117.2136 51.9379 39.6987 175.4378 105 F 4.6033 9.2798 126.9391 58.9932 40.4553 174.5769 106 S 3.8979 7.5692 114.9951 55.5413 65.2279 173.9510 107 P 4.1446 0.0000 0.0000 66.0476 31.1220 177.9412 108 E 4.1533 8.2386 116.3851 59.9515 29.3821 179.1945 109 H 4.0148 8.3762 115.3622 60.1535 28.9422 176.4535 110 Y 4.6052 8.3469 118.9196 61.5383 38.6828 177.7647 111 F 4.3553 8.7383 120.0916 61.4776 40.0521 177.0673 112 L 3.8280 7.4827 119.8484 58.5938 41.7865 178.9116 113 N 4.2219 8.3687 116.4354 55.9219 38.3491 177.0861 114 L 3.9374 7.7864 121.8511 58.2996 42.0791 179.0599 115 Q 3.8465 7.9025 117.8263 58.8013 28.5589 178.9362 116 K 3.9023 7.7113 119.0266 59.4598 32.2693 179.0191 117 L 3.9798 8.0846 120.4520 58.2694 42.0201 178.9742 118 I 4.0732 8.3536 120.0407 64.5303 37.0243 178.5805 119 K 3.9781 8.7724 119.5386 59.7220 31.6967 178.6014 120 Y 3.9461 8.5791 118.9261 60.9536 38.8558 178.0882 121 I 4.0585 8.0874 119.9932 63.7219 37.1070 178.0863 122 A 3.9919 7.7599 120.9597 54.5025 18.8849 177.8343 123 D 4.4474 7.8074 116.6985 54.4234 41.8651 177.8465 124 R 3.6763 8.0434 117.9790 57.2393 29.6094 176.0621 125 Q 3.1785 7.4889 115.1628 57.2359 26.3766 174.0669 126 L 4.3570 7.5966 119.9152 54.8394 43.6497 178.5529 127 T 4.4676 8.2400 116.6519 62.0166 70.7895 173.8999 128 V 4.3208 8.2115 120.3074 60.0720 32.8785 176.9139 129 V 4.6226 7.7837 118.6023 60.5846 31.7836 174.8822 130 S 4.4095 7.6009 112.9811 58.2480 64.7629 174.8487 131 D 4.6711 7.4822 120.5497 53.0144 43.1978 175.8801 132 V 4.0429 8.1353 120.2134 62.8815 32.7520 174.1663 133 Y 4.8527 9.4216 126.3726 56.4097 40.1670 174.2317 134 E 4.9773 9.9021 126.2850 54.6087 31.6282 174.0650 135 L 4.6572 8.8882 130.9331 53.7180 43.8590 175.0135 136 I 4.2308 8.4233 128.1896 59.7231 39.0425 174.8583 137 I 4.5321 8.5621 128.4560 58.3846 39.8636 173.1896 138 P 4.4700 0.0000 0.0000 62.8202 31.9563 175.8838 139 I 4.1842 8.2799 125.9775 60.0020 38.2508 175.0676 140 H 4.3607 8.3974 125.0833 53.8189 30.0194 174.4802 141 Y 4.3032 7.7691 123.2526 60.7390 38.2742 176.2471 *148 E 4.1535 7.8428 117.6717 56.2881 31.4585 174.6527 149 Y 5.0013 8.5241 119.3020 56.2202 41.8259 174.3092 150 R 4.9306 8.9309 123.1033 54.5583 32.9860 174.7275 151 V 4.6215 8.5715 125.8806 60.9707 34.6465 173.8310 152 E 4.8200 9.0899 127.5510 55.0541 31.9797 174.6722 153 M 5.1819 8.9340 125.8364 53.6652 33.9579 175.7951 154 K 5.7526 9.1096 121.9122 55.2166 37.1646 174.9387 155 I 5.0233 8.2203 120.0479 59.4216 41.7718 173.8951 156 R 3.8563 8.9423 129.7056 56.1879 31.0097 175.2060 157 I 5.0257 7.9269 118.0672 59.0476 41.2013 175.2312 158 L 4.2756 8.4441 122.1076 54.9739 41.2552 176.7280 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 R 8.25 4.62 0.00 1.85 1.88 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 2 L 8.15 4.65 0.00 1.68 1.65 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 3 G 10.51 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.76 4.73 0.00 1.69 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 5 V 8.19 4.04 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 -0.08 0.00 0.00 0.83 0.00 0.00 6 F 9.21 4.84 0.00 2.93 2.82 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 7 V 8.91 5.47 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 0.97 0.00 0.00 1.00 0.00 0.00 8 L 8.63 4.85 0.00 1.75 1.76 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.58 5.24 0.00 2.56 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 10 E 9.23 4.35 0.00 1.74 1.66 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 2.28 1.74 0.00 *11 E 8.32 4.65 0.00 1.65 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 2.27 1.87 0.00 12 E 8.58 4.81 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 13 I 8.03 4.44 1.72 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 1.00 0.49 0.87 0.00 0.00 14 R 8.47 4.84 0.00 1.88 1.78 0.00 3.11 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 15 I 9.00 5.33 2.15 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 1.30 0.80 0.94 0.00 0.00 16 I 8.72 5.23 1.92 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 1.31 0.62 0.96 0.00 0.00 17 Q 9.06 5.28 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 18 T 9.18 5.04 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 1.30 0.00 0.00 19 E 8.91 4.57 0.00 1.95 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 2.39 2.46 0.00 20 A 8.21 3.92 1.15 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 0.00 0.00 21 E 8.47 3.85 0.00 2.17 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 2.44 2.51 0.00 22 G 8.55 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 0.00 0.00 0.00 23 I 7.39 3.72 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.76 0.00 0.00 24 G 9.77 4.07 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 0.00 0.00 0.00 25 P 0.00 3.88 0.00 1.77 1.54 0.00 3.04 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 26 E 7.86 3.73 0.00 1.99 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 2.08 2.24 0.00 27 N 8.23 4.45 0.00 2.82 2.88 0.00 0.00 6.60 8.39 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 28 V 7.42 3.49 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 -0.01 0.00 0.00 0.66 0.00 0.00 29 L 7.82 4.21 0.00 1.59 1.64 0.46 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.47 4.83 0.00 2.80 2.81 0.00 0.00 6.69 7.06 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 31 A 7.09 4.36 1.04 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 0.00 0.00 32 S 8.42 4.77 0.00 4.11 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.81 4.00 0.00 1.99 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 34 S 7.90 4.23 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.12 3.89 0.00 1.81 1.92 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.61 7.81 36 L 7.73 4.06 0.00 1.84 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.08 3.14 0.00 1.09 1.75 0.00 1.28 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.09 7.81 38 K 7.56 3.83 0.00 1.99 1.72 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 39 F 8.46 4.10 0.00 3.26 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 40 I 7.34 4.46 1.88 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 1.31 1.37 0.88 0.00 0.00 41 E 8.19 3.83 0.00 1.93 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 2.26 2.24 0.00 42 S 7.19 4.48 0.00 3.68 3.86 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 *48 N 7.89 4.51 0.00 2.89 2.82 0.00 0.00 7.14 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 49 N 8.73 4.54 0.00 2.70 2.82 0.00 0.00 6.84 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 50 S 7.76 4.87 0.00 3.93 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 51 Y 7.51 4.73 0.00 2.70 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.62 3.67 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 0.00 53 A 9.09 5.44 0.58 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 54 T 8.77 5.27 4.33 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 1.11 0.00 0.00 55 F 8.44 5.35 0.00 3.20 3.35 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 56 S 9.05 4.71 0.00 4.03 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 57 F 8.89 4.61 0.00 3.01 2.98 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 58 Q 7.58 4.14 0.00 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.23 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 59 P 0.00 4.33 0.00 2.07 1.95 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 60 Y 7.55 4.33 0.00 3.11 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 61 T 9.23 4.68 4.33 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 1.25 0.00 0.00 62 S 7.68 4.07 0.00 3.81 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 63 I 7.49 3.91 1.53 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.25 0.65 0.00 0.00 64 D 8.21 5.32 0.00 2.78 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 65 E 7.34 4.13 0.00 2.36 2.39 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 2.42 2.33 0.00 66 M 7.47 3.99 0.00 1.16 1.43 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.81 0.00 67 T 7.56 4.25 4.17 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 1.20 0.00 0.00 68 Y 8.32 4.71 0.00 3.04 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 69 R 9.67 4.47 0.00 1.87 2.05 0.00 3.23 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.44 0.00 70 H 8.03 5.60 0.00 3.18 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.98 5.02 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.35 0.92 0.00 0.00 72 F 8.67 5.51 0.00 3.19 3.16 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 73 T 9.24 4.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 74 P 0.00 4.89 0.00 1.95 2.01 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 75 V 8.32 4.70 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 0.80 0.00 0.00 0.94 0.00 0.00 76 L 8.31 4.46 0.00 1.67 1.69 0.92 0.61 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 *81 I 7.72 4.12 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 1.47 0.42 0.91 0.00 0.00 82 S 7.74 4.61 0.00 3.97 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 83 S 8.54 3.74 0.00 4.02 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 84 I 7.65 4.46 1.88 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 1.48 0.83 0.93 0.00 0.00 85 T 8.18 4.33 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 1.22 0.00 0.00 86 P 0.00 4.52 0.00 2.22 2.04 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 87 D 9.00 4.51 0.00 2.96 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 88 M 8.04 4.99 0.00 1.90 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 89 E 9.53 4.77 0.00 1.96 1.74 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 2.18 2.25 0.00 90 I 8.25 4.98 1.88 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 1.41 0.74 0.92 0.00 0.00 91 T 8.47 4.63 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 1.27 0.00 0.00 92 T 8.28 4.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 93 I 8.01 4.21 1.54 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.82 0.18 0.00 0.00 94 P 0.00 4.35 0.00 2.21 2.09 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 95 K 8.08 4.40 0.00 1.96 1.87 0.00 1.29 0.00 0.00 0.94 0.00 0.00 3.08 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.42 7.81 96 G 8.04 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.63 4.97 0.00 1.85 1.74 0.00 3.13 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 98 Y 9.67 5.18 0.00 2.91 2.82 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 99 A 8.58 4.87 1.15 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 0.00 0.00 100 C 9.48 5.37 0.00 3.00 2.82 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 0.00 101 I 8.92 4.97 1.90 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 1.33 1.29 1.09 0.00 0.00 102 A 8.78 5.59 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 0.00 103 Y 8.40 5.23 0.00 3.13 3.11 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 0.00 104 N 8.83 5.19 0.00 2.71 2.88 0.00 0.00 6.81 7.45 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 0.00 105 F 9.28 4.60 0.00 3.09 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.57 3.90 0.00 3.65 3.33 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 0.00 107 P 0.00 4.14 0.00 2.00 2.09 0.00 3.51 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 108 E 8.24 4.15 0.00 2.06 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 2.42 2.42 0.00 109 H 8.38 4.01 0.00 3.49 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.35 4.61 0.00 3.53 3.16 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 0.00 111 F 8.74 4.36 0.00 3.21 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 0.00 112 L 7.48 3.83 0.00 1.93 1.63 0.87 0.57 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 0.00 113 N 8.37 4.22 0.00 2.37 2.62 0.00 0.00 6.73 6.78 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 0.00 114 L 7.79 3.94 0.00 1.80 1.53 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.90 3.85 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 1.88 2.19 0.00 116 K 7.71 3.90 0.00 1.91 1.86 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.64 7.81 117 L 8.08 3.98 0.00 1.81 1.96 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.35 4.07 2.09 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 1.30 0.71 0.92 0.00 0.00 119 K 8.77 3.98 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.61 7.81 120 Y 8.58 3.95 0.00 3.03 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 0.00 121 I 8.09 4.06 2.14 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 1.81 0.66 0.83 0.00 0.00 122 A 7.76 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.81 4.45 0.00 2.56 2.52 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 0.00 124 R 8.04 3.68 0.00 1.61 1.85 0.00 2.81 0.00 0.00 2.94 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 125 Q 7.49 3.18 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 126 L 7.60 4.36 0.00 1.55 1.58 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.24 4.47 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 1.17 0.00 0.00 128 V 8.21 4.32 1.83 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 0.16 0.00 0.00 0.73 0.00 0.00 129 V 7.78 4.62 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.85 0.00 0.00 130 S 7.60 4.41 0.00 4.01 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 0.00 131 D 7.48 4.67 0.00 2.26 2.39 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 0.00 132 V 8.14 4.04 0.67 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 0.81 0.00 0.00 1.03 0.00 0.00 133 Y 9.42 4.85 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.90 4.98 0.00 2.32 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 0.00 2.34 2.51 0.00 135 L 8.89 4.66 0.00 1.88 1.46 0.87 1.07 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 0.00 136 I 8.42 4.23 0.78 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.03 0.00 0.00 137 I 8.56 4.53 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.85 0.00 0.00 138 P 0.00 4.47 0.00 2.06 2.13 0.00 3.44 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 2.04 2.22 0.00 139 I 8.28 4.18 1.76 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 1.20 0.71 0.80 0.00 0.00 140 H 8.40 4.36 0.00 2.97 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.77 4.30 0.00 2.98 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 *148 E 7.84 4.15 0.00 1.79 1.89 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 2.34 2.47 0.00 149 Y 8.52 5.00 0.00 3.02 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 0.00 150 R 8.93 4.93 0.00 1.87 1.91 0.00 3.05 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 151 V 8.57 4.62 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 0.00 0.00 0.85 0.00 0.00 0.77 0.00 0.00 152 E 9.09 4.82 0.00 1.87 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 2.18 2.18 0.00 153 M 8.93 5.18 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.67 0.00 154 K 9.11 5.75 0.00 1.98 1.91 0.00 1.14 0.00 0.00 1.26 0.00 0.00 2.65 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.35 1.34 7.81 155 I 8.22 5.02 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.17 0.83 0.00 0.00 156 R 8.94 3.86 0.00 1.80 1.60 0.00 3.02 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.00 157 I 7.93 5.03 1.80 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 1.28 0.77 0.85 0.00 0.00 158 L 8.44 4.28 0.00 1.50 1.57 0.89 0.92 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 * Residues marked with a * may have inaccurate shift predictions.