NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 S 4.4763 8.1776 115.4130 57.8202 64.5559 174.5415 24 E 3.7654 8.5855 120.7468 59.1464 29.2911 175.9063 25 E 3.9567 8.4274 119.3214 59.3514 29.9651 180.2317 26 Q 3.9750 8.2014 119.2776 59.3193 28.9842 178.4398 27 V 3.8277 7.4041 117.6493 65.8853 31.8407 177.5104 28 A 4.3082 8.4636 120.9379 55.4970 18.1168 179.7050 29 Q 4.1333 8.3342 115.0439 58.6168 29.0696 177.9856 30 D 4.6339 8.3994 119.5747 56.5760 41.0508 178.6080 31 T 3.7911 7.9210 116.4695 66.2148 68.3292 175.7597 32 E 3.9527 8.2996 121.0025 59.4900 29.6208 178.5007 33 E 3.8694 8.0553 118.3917 59.2066 29.9007 178.4272 34 V 3.3978 7.4535 118.3073 66.0040 31.2829 177.7525 35 F 4.2765 8.5938 120.2698 61.5227 39.2579 177.0681 36 R 3.6298 8.1481 117.7573 59.3831 29.7497 179.0522 37 S 4.0872 8.5703 113.0633 61.4765 62.2920 175.4141 38 Y 4.3417 8.4867 122.6605 60.8896 38.5240 178.2996 39 V 3.6955 8.4931 119.9975 65.8637 31.5366 177.7753 40 F 3.9045 8.3192 120.5842 61.4649 39.1724 176.8078 41 Y 3.8913 8.2065 116.6701 60.9791 37.6684 178.1187 42 R 3.4896 8.1941 120.1887 59.6467 29.6737 177.9522 43 H 4.2886 7.6884 117.7475 58.7733 30.2072 176.6392 44 Q 3.7973 7.9614 121.6799 59.2704 28.9552 178.3085 45 Q 3.9461 8.1777 119.2831 58.8071 28.5767 178.0251 46 E 4.1574 8.0831 118.3483 57.9185 29.5760 177.3466 47 Q 4.5780 7.3656 116.7036 55.6616 30.7235 176.4211 48 E 4.6466 7.7385 116.4956 55.2795 31.9997 174.7401 *52 V 3.9772 7.2596 119.9618 63.2535 32.4881 176.9353 53 A 4.4327 8.2889 113.7769 50.3555 17.5452 176.0927 54 A 4.3278 7.6444 124.9440 50.1189 19.7936 176.1318 55 P 4.2841 0.0000 0.0000 62.7918 31.8007 176.2628 56 A 4.4589 8.5076 125.7635 51.1330 19.5508 176.8880 57 D 4.0756 8.3438 122.9920 51.6272 42.1794 172.5991 58 P 4.3229 0.0000 0.0000 65.3961 31.5077 179.4339 59 E 4.0972 7.2304 120.0996 55.6502 28.4259 178.1291 *61 V 4.4658 7.8594 119.7800 63.4892 33.3673 176.5008 62 T 4.0699 7.8457 113.1506 63.8715 68.1419 174.1281 63 L 3.9869 7.8872 126.0869 54.4209 42.2738 176.2839 64 P 4.0445 0.0000 0.0000 65.0699 31.7961 175.4443 65 L 3.5985 7.2101 119.9618 52.8492 44.0128 176.5052 66 Q 4.4087 7.7461 124.6209 54.5403 28.8783 175.1210 67 P 4.0052 0.0000 0.0000 64.7918 33.2808 178.9904 68 S 4.7571 7.7151 114.2503 57.1878 63.8137 174.5375 69 S 4.4501 7.8443 115.4309 57.8625 63.7884 175.0173 70 T 3.8528 8.5630 113.1648 65.1618 68.5474 176.2061 *72 G 3.9876 8.1323 112.6146 45.8169 0.0000 175.7910 73 Q 3.9295 8.6362 119.6540 58.5843 28.5760 179.0170 74 V 3.7031 8.3439 119.9396 65.9078 31.5383 178.3391 75 G 3.8855 8.0047 106.3683 47.1794 0.0000 175.4445 76 R 3.4354 7.9841 121.1313 59.1040 29.9509 178.2654 77 Q 3.9373 8.0817 119.3632 59.3269 28.9912 178.4561 78 L 4.1320 8.3009 119.7611 57.7876 41.4680 179.3582 79 A 4.0416 8.1426 120.0239 54.9852 18.6688 179.5415 80 I 3.7889 8.1701 118.7415 64.7997 36.7840 178.8499 81 I 3.9113 8.2060 120.9378 64.1609 36.8153 178.4626 82 G 3.7698 8.7696 107.1600 48.2080 0.0000 175.0880 83 D 4.5478 7.4519 119.6273 57.3761 41.1734 178.2254 84 D 4.6672 7.8517 116.4648 55.2009 41.7622 178.5086 85 I 3.8643 7.6891 120.1861 64.8612 37.2736 177.4372 86 N 4.6953 9.1923 117.4099 55.6080 38.0780 177.2574 87 R 4.0026 7.4981 118.9693 58.7991 30.3378 178.6360 88 R 3.8060 7.4218 116.9449 59.1051 30.3418 178.2106 89 Y 3.7339 7.0050 115.4704 61.5098 37.9485 177.8050 90 D 4.4929 8.1770 119.3627 57.9762 40.9706 179.0546 91 S 4.1275 8.0980 114.3345 62.1747 62.7513 176.7471 92 E 3.9299 7.8847 120.0681 59.3121 29.5290 178.4419 93 F 4.8157 7.7814 117.0190 60.4633 39.1258 177.5533 94 Q 4.3350 8.5937 118.1130 59.3698 28.5993 178.8768 95 T 4.4264 7.6342 115.2231 64.5012 68.8047 175.6026 *97 L 4.3096 7.8242 122.8814 54.9070 43.8118 179.1563 98 Q 4.0283 7.8168 117.6024 58.6557 28.3359 176.6638 99 H 3.8139 7.5045 115.3854 59.1819 30.1475 174.6794 100 L 4.2954 7.8520 118.4046 55.6036 41.9964 179.1674 101 Q 3.5533 7.6572 112.1110 56.8075 24.5375 173.3444 102 P 4.7440 0.0000 0.0000 62.9608 32.1591 176.2994 103 T 4.5455 8.6463 109.5220 59.2279 71.3956 174.9815 104 A 4.0254 8.4242 124.1815 55.2283 18.6095 179.1219 105 E 4.2051 8.3183 114.9818 58.9979 29.9673 178.0347 106 N 5.1768 8.2748 116.7094 53.8991 38.0541 177.3531 107 A 3.9313 8.0497 123.3443 55.1102 18.4448 179.0601 108 Y 2.9783 7.8827 117.8410 60.7379 39.0397 177.7222 109 E 3.7139 8.2815 119.5870 59.1556 29.4593 179.1411 110 Y 4.3437 7.6983 116.5568 61.1765 38.2620 177.2378 111 F 4.4744 8.6451 121.9978 62.0991 39.2797 177.4473 112 T 3.7790 7.9778 115.0473 66.3486 67.9723 176.8550 113 K 3.8717 7.6914 119.2770 59.5929 32.5182 179.2234 114 I 3.5519 7.5587 119.6340 64.1050 37.0685 178.3667 115 A 3.3579 7.6163 121.9009 55.1533 17.7071 179.8176 116 T 4.1391 7.8442 114.5457 66.6785 68.5344 176.7769 117 S 4.2842 7.7280 115.3134 60.6724 62.9632 176.2358 118 L 3.9474 7.3112 121.4146 56.2006 41.2772 177.5013 119 F 4.9080 7.0367 113.3825 56.1491 39.1761 176.1671 120 E 3.8661 7.2553 119.0716 59.8260 30.1205 178.4197 121 S 4.3797 7.6742 115.1923 57.1079 62.1709 174.4410 122 G 4.0643 7.8361 106.8743 46.3356 0.0000 171.0380 123 I 4.4604 7.5945 119.1987 59.3970 39.5016 175.5251 124 N 4.4687 7.6826 119.9700 50.4511 41.0432 175.4263 125 W 4.6429 9.1239 121.0635 60.3474 29.2055 179.0070 126 G 3.8922 8.3343 104.9607 47.8525 0.0000 175.8917 127 R 3.6815 7.8142 119.1622 58.7073 30.4103 178.7413 128 V 4.0208 7.8601 118.1461 66.2159 31.5671 178.2041 129 V 3.7173 8.6623 118.0827 66.1326 31.2272 177.8181 130 A 4.0349 7.8859 120.1249 54.4598 18.0316 179.3960 131 L 3.8124 7.7829 119.3103 58.3147 42.1366 179.1604 132 L 4.2034 8.0129 118.4866 57.8471 41.5067 179.2552 133 G 4.3096 8.2451 105.7877 49.2344 0.0000 175.3808 134 F 4.0976 8.6963 123.3626 60.6063 39.2327 177.3494 135 G 3.8458 8.6731 105.9726 48.0986 0.0000 174.8891 136 Y 4.2114 9.4085 123.1211 60.7020 38.8444 178.4762 137 R 4.0418 8.6930 119.3199 58.9948 30.1790 178.7058 138 L 3.8163 8.1586 120.2547 58.0663 42.0870 178.6218 139 A 4.1056 8.0885 120.6432 55.2705 18.2283 179.1646 140 L 3.9412 7.7260 118.4159 58.7178 42.2662 178.6005 141 H 4.0642 8.4946 118.3256 59.4400 29.8469 177.3806 142 V 3.6368 8.0405 120.0052 65.8853 31.2912 177.4280 143 Y 4.4313 8.0410 120.8181 60.3222 38.4555 177.7832 144 Q 4.0523 8.2563 118.1376 58.5678 28.7589 177.8352 145 H 4.7480 7.5083 114.2781 55.5050 29.9220 175.6087 146 G 3.7866 7.8955 111.8776 45.2545 0.0000 174.5769 147 L 4.1319 7.6779 120.2301 54.3784 40.7636 176.3770 148 T 4.7901 8.3604 114.4500 61.2093 70.4934 175.0858 149 G 4.0721 10.3475 110.6802 46.9396 0.0000 175.2355 150 F 4.2908 7.7599 122.2388 59.2524 39.3065 177.0486 151 L 4.0849 8.0636 118.6340 58.3609 41.5348 179.2560 152 G 3.5080 7.9030 105.0181 47.7762 0.0000 175.3924 153 Q 3.3497 7.3108 121.3104 58.5163 28.9202 178.1295 154 V 2.8608 7.0943 119.3106 65.9852 31.5067 178.0273 155 T 3.5673 7.9957 115.8218 66.7546 68.2702 176.7507 156 R 3.9108 7.4511 119.3637 58.7708 29.9321 179.0822 157 F 4.4384 7.5539 117.8460 60.5319 38.5897 177.6103 158 V 3.8129 7.3400 116.6357 66.1025 31.3828 177.7961 159 V 3.8399 7.6190 116.4709 66.1813 31.7493 177.0147 160 D 4.6211 8.6730 118.0017 57.3157 41.0065 178.6845 161 F 4.0219 8.6252 118.0533 58.9737 38.6773 176.5984 *163 L 4.2345 7.8348 117.0400 54.8097 43.2148 178.9783 164 H 4.1993 8.1918 113.5030 58.0089 29.1421 176.1490 165 H 4.3640 7.8827 116.3326 55.0976 28.8573 174.8965 166 C 3.8783 7.7069 114.0119 60.7734 26.5202 175.3789 167 I 3.4175 7.0922 121.8195 64.1675 36.4747 178.2032 168 A 3.8775 7.7782 121.1948 55.0934 18.2434 179.4316 169 R 3.7741 7.8684 116.7633 59.1513 30.2916 178.3265 170 W 3.9348 8.2718 128.2944 60.6087 30.7141 177.8585 171 I 3.3007 8.0959 119.8726 64.1431 36.4152 178.1389 172 A 3.8749 7.9652 121.3845 55.5261 18.0664 179.4620 173 Q 3.8986 7.8784 115.2660 59.0590 28.8124 179.0883 174 R 4.2401 7.0422 115.5802 55.8113 30.3555 177.1157 175 G 3.8296 8.1973 107.9494 44.8761 0.0000 174.4463 176 G 3.9536 8.6138 107.4040 44.3635 0.0000 174.5528 177 W 4.5747 8.8248 117.2035 60.1102 28.7943 178.8206 178 V 3.7665 8.2086 117.2445 65.7539 30.9426 177.5148 179 A 4.0632 8.4093 120.6585 54.9830 18.1282 179.1797 180 A 3.2595 8.1754 119.2370 54.3420 18.1314 179.6231 181 L 4.0082 8.1764 117.3676 57.2868 41.6763 178.1763 182 N 4.6839 7.4598 113.7977 53.3593 38.7000 176.0233 183 L 4.0590 7.5965 122.3307 56.4987 42.1393 177.3419 184 G 3.7234 7.8650 110.9241 45.5042 0.0000 172.7608 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 23 S 8.18 4.48 0.00 4.29 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 24 E 8.59 3.77 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 25 E 8.43 3.96 0.00 2.05 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 2.41 2.38 0.00 26 Q 8.20 3.98 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 27 V 7.40 3.83 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 0.66 0.00 0.00 0.92 0.00 0.00 28 A 8.46 4.31 1.47 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 29 Q 8.33 4.13 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 30 D 8.40 4.63 0.00 3.24 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 31 T 7.92 3.79 4.53 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 1.41 0.00 0.00 32 E 8.30 3.95 0.00 2.07 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 2.41 2.41 0.00 33 E 8.06 3.87 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 34 V 7.45 3.40 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 -0.11 0.00 0.00 0.23 0.00 0.00 35 F 8.59 4.28 0.00 3.11 3.29 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 36 R 8.15 3.63 0.00 1.99 1.92 0.00 3.17 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 1.65 1.98 0.00 37 S 8.57 4.09 0.00 3.90 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 38 Y 8.49 4.34 0.00 3.09 3.18 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 0.00 0.00 0.00 0.00 39 V 8.49 3.70 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 0.85 0.00 0.00 0.34 0.00 0.00 40 F 8.32 3.90 0.00 3.04 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 41 Y 8.21 3.89 0.00 2.98 2.90 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 42 R 8.19 3.49 0.00 0.68 1.10 0.00 2.84 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 43 H 7.69 4.29 0.00 3.42 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.96 3.80 0.00 1.56 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 45 Q 8.18 3.95 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 46 E 8.08 4.16 0.00 2.10 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 2.37 2.37 0.00 47 Q 7.37 4.58 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.07 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 48 E 7.74 4.65 0.00 2.02 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 2.23 2.26 0.00 *52 V 7.26 3.98 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 0.78 0.00 0.00 0.97 0.00 0.00 53 A 8.29 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.64 4.33 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 55 P 0.00 4.28 0.00 2.12 2.07 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 56 A 8.51 4.46 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 57 D 8.34 4.08 0.00 2.38 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 0.00 0.00 0.00 0.00 58 P 0.00 4.32 0.00 2.22 2.29 0.00 3.26 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 1.93 2.09 0.00 59 E 7.23 4.10 0.00 1.86 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 2.30 2.09 0.00 *61 V 7.86 4.47 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 1.15 0.00 0.00 0.90 0.00 0.00 62 T 7.85 4.07 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 1.18 0.00 0.00 63 L 7.89 3.99 0.00 1.78 1.47 0.91 1.00 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 64 P 0.00 4.04 0.00 2.03 2.10 0.00 3.71 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 2.00 2.08 0.00 65 L 7.21 3.60 0.00 1.47 1.11 0.33 0.69 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 66 Q 7.75 4.41 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.27 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 67 P 0.00 4.01 0.00 2.25 2.00 0.00 3.69 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 68 S 7.72 4.76 0.00 3.86 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 69 S 7.84 4.45 0.00 4.04 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 70 T 8.56 3.85 4.28 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 1.25 0.00 0.00 *72 G 8.13 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 0.00 0.00 0.00 73 Q 8.64 3.93 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 74 V 8.34 3.70 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 1.22 0.00 0.00 1.12 0.00 0.00 75 G 8.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.98 3.44 0.00 0.92 1.69 0.00 2.41 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 77 Q 8.08 3.94 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 78 L 8.30 4.13 0.00 2.32 2.10 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.14 4.04 1.20 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 0.00 0.00 0.00 80 I 8.17 3.79 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.33 0.90 0.00 0.00 81 I 8.21 3.91 1.97 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 1.70 1.15 1.01 0.00 0.00 82 G 8.77 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 91 S 8.10 4.13 0.00 3.82 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 92 E 7.88 3.93 0.00 1.79 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 2.12 2.42 0.00 93 F 7.78 4.82 0.00 3.46 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 94 Q 8.59 4.33 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 95 T 7.63 4.43 4.43 0.00 0.00 0.00 0.00 0.00 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 *97 L 7.82 4.31 0.00 2.02 1.34 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.82 4.03 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 99 H 7.50 3.81 0.00 3.10 3.17 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.85 4.30 0.00 1.35 1.59 0.34 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.66 3.55 0.00 2.23 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 102 P 0.00 4.74 0.00 2.28 2.37 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 103 T 8.65 4.55 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 0.00 104 A 8.42 4.03 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 0.00 105 E 8.32 4.21 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 2.33 2.38 0.00 106 N 8.27 5.18 0.00 2.17 2.80 0.00 0.00 6.41 6.56 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 0.00 107 A 8.05 3.93 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 0.00 0.00 0.00 0.00 0.00 108 Y 7.88 2.98 0.00 2.67 2.85 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 0.00 0.00 0.00 109 E 8.28 3.71 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 110 Y 7.70 4.34 0.00 3.04 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 0.00 111 F 8.65 4.47 0.00 3.23 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 0.00 112 T 7.98 3.78 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 1.18 0.00 0.00 113 K 7.69 3.87 0.00 1.83 1.77 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.68 7.81 114 I 7.56 3.55 0.98 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 0.98 0.53 -0.15 0.00 0.00 115 A 7.62 3.36 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.84 4.14 4.39 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 1.31 0.00 0.00 117 S 7.73 4.28 0.00 4.00 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 0.00 118 L 7.31 3.95 0.00 1.09 0.74 0.59 0.16 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 0.00 119 F 7.04 4.91 0.00 3.16 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 0.00 120 E 7.26 3.87 0.00 2.13 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 2.34 2.41 0.00 121 S 7.67 4.38 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.84 4.06 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 0.00 0.00 0.00 123 I 7.59 4.46 0.91 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 -0.45 0.00 0.00 124 N 7.68 4.47 0.00 3.03 2.90 0.00 0.00 6.22 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.31 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 0.00 134 F 8.70 4.10 0.00 1.60 2.81 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 0.00 135 G 8.67 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 9.41 4.21 0.00 3.32 3.49 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 0.00 0.00 0.00 0.00 137 R 8.69 4.04 0.00 2.02 2.20 0.00 4.00 0.00 0.00 3.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 138 L 8.16 3.82 0.00 1.04 1.73 1.02 1.23 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 0.00 139 A 8.09 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 3.94 0.00 1.60 1.62 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.49 4.06 0.00 3.42 3.51 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.04 3.64 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 0.51 0.00 0.00 0.80 0.00 0.00 143 Y 8.04 4.43 0.00 3.19 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 0.00 144 Q 8.26 4.05 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.16 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 145 H 7.51 4.75 0.00 3.06 3.22 0.00 5.63 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.90 3.79 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 0.00 0.00 0.00 147 L 7.68 4.13 0.00 1.76 1.48 0.40 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.36 4.79 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 1.29 0.00 0.00 149 G 10.35 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 158 V 7.34 3.81 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 0.78 0.00 0.00 0.51 0.00 0.00 159 V 7.62 3.84 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 0.96 0.00 0.00 1.06 0.00 0.00 160 D 8.67 4.62 0.00 2.88 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 0.00 161 F 8.63 4.02 0.00 3.64 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *163 L 7.83 4.23 0.00 2.04 1.76 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 164 H 8.19 4.20 0.00 3.16 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 H 7.88 4.36 0.00 2.16 2.68 0.00 5.96 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 7.71 3.88 0.00 3.06 2.94 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 0.00 0.00 0.00 167 I 7.09 3.42 1.71 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 1.02 0.60 0.55 0.00 0.00 168 A 7.78 3.88 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 0.00 169 R 7.87 3.77 0.00 2.02 2.07 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 170 W 8.27 3.93 0.00 3.35 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.10 3.30 1.65 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.30 0.47 0.00 0.00 172 A 7.97 3.87 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 0.00 173 Q 7.88 3.90 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 174 R 7.04 4.24 0.00 1.75 1.91 0.00 3.03 0.00 0.00 2.85 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 175 G 8.20 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.61 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 0.00 177 W 8.82 4.57 0.00 3.54 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 0.00 178 V 8.21 3.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 179 A 8.41 4.06 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 0.00 180 A 8.18 3.26 1.20 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 0.00 0.00 0.00 181 L 8.18 4.01 0.00 1.71 1.73 0.93 1.14 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 0.00 182 N 7.46 4.68 0.00 2.73 2.79 0.00 0.00 7.04 8.03 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 0.00 183 L 7.60 4.06 0.00 1.55 1.66 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 184 G 7.86 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 * Residues marked with a * may have inaccurate shift predictions.