NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.5519 8.2393 121.1249 56.5447 31.1844 174.3441 12 T 4.6522 8.9751 116.7300 59.6896 72.0147 171.1797 13 Y 5.0630 9.5077 121.5054 56.6107 40.1503 176.8269 14 L 4.6760 9.0156 123.0751 55.4308 43.4767 176.0302 15 Y 4.7604 7.6040 117.2006 56.9366 42.2273 173.4111 16 R 4.8511 7.2731 123.3010 53.3456 33.0726 174.2074 17 G 4.2959 8.1709 116.4544 44.2660 0.0000 171.6140 18 R 3.9909 8.7222 117.9174 58.7198 30.3883 177.5462 19 I 4.3721 7.2571 108.4038 59.8320 38.1536 174.6114 20 L 4.7606 7.0807 118.7145 55.7826 43.0339 172.8306 21 N 5.5209 8.8417 117.1936 51.4587 42.9310 173.2634 22 L 5.0263 9.2478 124.4953 53.6082 44.3053 175.1165 23 A 5.0250 9.2700 127.8155 49.9219 23.1600 174.3623 24 L 4.9390 9.1053 118.9427 53.1048 45.1193 176.2084 25 E 4.6043 9.2295 126.2000 53.8674 29.1172 177.2866 26 G 3.9243 8.6400 118.2913 46.1060 0.0000 173.1671 27 R 4.0441 8.8524 123.6957 57.7243 30.8783 175.4518 28 Y 4.1736 7.6173 116.5596 57.7871 38.3307 174.0494 29 E 4.9034 8.8563 124.8922 55.5159 30.7219 175.6091 30 I 4.7428 8.7190 126.0951 59.4023 40.4637 174.9435 31 V 4.8611 8.9106 127.5462 61.2657 33.2025 174.4587 32 E 4.8493 8.9958 128.8786 56.5640 30.6748 175.6682 33 H 5.1715 9.6869 123.0361 54.2041 33.3597 173.2044 34 K 4.3693 8.5673 123.6780 55.7682 32.8546 175.1114 35 P 4.7091 0.0000 0.0000 63.0470 33.1363 174.4711 36 A 5.1962 9.2009 121.8101 50.5315 23.4566 174.9899 37 V 5.1904 8.7479 110.6509 60.0080 36.4208 175.1036 38 A 5.1242 9.0608 122.5524 50.5760 23.0250 175.3742 39 V 4.7687 8.6871 121.0680 61.1837 33.9699 174.9907 40 I 4.2921 9.1190 129.8221 60.2133 38.6551 174.7743 41 A 5.1404 8.4177 128.4225 49.9343 22.0744 174.2576 42 L 5.2230 8.7674 123.9533 53.1678 44.8993 175.7645 43 R 4.4031 9.2585 125.5665 55.9174 32.8681 174.7422 44 E 3.8157 9.8683 126.7122 57.5780 26.6892 175.8542 45 G 4.0102 8.1428 104.3814 45.7405 0.0000 172.8760 46 R 4.7916 7.8539 119.3297 54.6087 32.7798 174.9515 47 M 4.7452 9.1454 123.1133 54.0959 34.6159 175.0751 48 L 3.5710 8.0295 127.5991 54.0026 41.7151 175.8904 49 F 4.9984 8.4024 125.1697 56.1748 42.0515 175.1271 50 V 5.0705 8.7601 112.1233 60.2649 36.3387 174.6924 51 R 5.1819 9.1094 121.8844 54.8309 34.3151 174.2794 52 Q 4.8580 8.3641 118.3868 55.0327 31.7255 173.6616 53 M 4.0981 8.6262 120.4327 55.6515 32.9321 176.1748 54 R 4.5239 8.0664 124.3448 53.4056 31.2709 174.1964 55 P 4.2085 0.0000 0.0000 65.3957 31.6541 178.9649 56 A 4.1568 8.1249 119.6440 54.4530 18.6512 178.1153 57 V 4.2309 8.0075 106.6714 60.3077 33.0800 177.2911 58 G 3.8881 8.3956 106.6291 45.5828 0.0000 172.8179 59 L 4.4899 7.4635 118.1476 54.5620 43.5354 174.7654 60 A 4.8541 8.1507 121.8095 49.5503 18.6210 174.2970 61 P 4.6201 0.0000 0.0000 62.9213 33.0330 175.8298 62 L 4.3217 9.0978 123.5651 54.8629 43.0970 175.3866 63 E 5.4395 9.0759 126.4564 54.5416 33.7468 174.4967 64 I 4.9334 7.7415 111.9690 58.3852 40.9962 173.7238 65 P 4.4656 0.0000 0.0000 63.7539 31.9525 175.2154 66 A 4.8800 8.0778 124.1970 51.0955 23.0937 174.8693 67 G 4.4485 7.9296 105.2218 46.2892 0.0000 172.3318 68 L 4.8999 8.4947 119.5972 54.1700 42.7823 177.3083 69 I 4.1660 8.1470 124.1966 61.0412 37.5480 176.1445 70 E 4.3383 9.7161 127.5382 54.8634 31.0744 174.8525 71 P 4.3014 0.0000 0.0000 64.3325 31.8597 176.1290 72 G 4.0847 9.0900 110.4920 45.0117 0.0000 173.3994 73 E 4.6396 7.4193 116.1115 54.9819 31.5807 175.4010 74 D 4.8026 8.5408 120.4152 50.9489 43.0320 175.4856 75 P 4.1910 0.0000 0.0000 65.8049 31.2226 178.3325 76 L 3.1526 7.9903 118.1681 58.2678 41.9826 178.8123 77 E 3.8740 8.5845 118.1641 59.1968 29.2310 179.2943 78 A 4.1092 7.9745 120.7314 54.9370 18.4504 179.4283 79 A 3.7174 8.0095 119.7380 55.1493 18.2973 179.8175 80 R 3.6723 7.7455 117.0340 59.4645 30.1697 178.6168 81 R 3.8032 7.9049 118.3547 59.6026 30.1010 178.2211 82 E 3.9316 8.3276 118.5471 59.3170 29.4581 179.1646 83 L 3.8726 7.8621 120.0379 57.9544 42.0674 178.9908 84 A 4.1636 7.8322 121.9415 54.8290 18.2018 179.4998 85 E 3.8981 8.4936 115.9528 59.5865 29.6322 179.0798 86 E 4.2784 8.2770 117.4726 57.9081 29.8659 177.3347 87 T 4.4184 7.5245 105.4318 59.9889 70.2045 174.5289 88 G 3.8862 8.6647 111.0371 46.2041 0.0000 172.7857 89 L 5.5006 7.3175 118.1415 52.8068 45.7874 175.3127 90 S 4.5334 8.7661 113.5370 57.9541 66.7792 173.9291 91 G 3.9840 7.9585 105.3983 46.4487 0.0000 171.4005 92 D 4.8765 8.8689 121.4044 53.3672 42.1023 175.8561 93 L 5.2888 8.5180 123.8363 53.4956 43.7707 176.1656 94 T 4.7349 8.8083 119.6468 61.5585 72.0639 172.8387 95 Y 3.4761 8.8142 127.8414 57.9573 39.0326 174.1979 96 L 3.8361 6.8471 126.2704 54.2164 43.0930 176.5855 97 F 4.3393 5.5447 110.4791 56.5578 40.7187 171.4434 98 S 5.3437 8.7370 112.8011 57.5287 66.3269 172.5622 99 Y 4.7584 7.9455 116.5288 56.0095 41.2603 173.4224 100 F 4.7540 8.7197 120.0142 56.5778 39.9323 177.2779 101 V 3.9526 8.2934 118.0027 64.8701 31.9264 176.8576 102 S 4.7425 7.3588 107.1983 56.6811 64.1709 173.5875 103 P 4.3510 0.0000 0.0000 64.3295 31.3783 178.8082 104 G 3.8480 8.0155 107.5470 47.7391 0.0000 174.1898 105 F 4.9835 7.8284 111.0788 56.3519 40.6116 173.8880 106 T 5.0740 7.3045 113.8974 59.0673 69.9735 172.5976 107 D 4.7985 8.3699 123.8196 52.9633 40.7589 175.8014 108 E 4.0136 7.9262 122.2797 56.9703 30.7469 175.4062 109 K 4.6087 8.6944 127.4901 54.7092 35.5178 174.2946 110 T 4.8840 8.1223 124.0295 62.0434 71.2276 172.7606 111 H 5.0474 9.3590 124.5951 54.4263 30.7235 174.1887 112 V 4.8739 8.8861 124.3489 61.5455 33.3594 174.6899 113 F 5.0485 9.3565 125.5775 55.4916 43.3492 173.4092 114 L 5.0360 8.8391 122.7747 53.3252 44.2230 174.8293 115 A 5.2659 8.9416 128.0858 50.3482 21.3778 175.2570 116 E 4.6609 8.8132 120.1919 53.9524 34.6344 174.9344 117 N 4.1851 8.6575 115.3202 54.3989 36.0491 175.3892 118 L 4.4733 7.7932 116.2951 55.1049 42.8739 178.5871 119 K 4.7153 9.3846 122.6721 54.4503 36.1196 174.7354 120 E 4.7582 8.8045 124.5739 55.6805 29.9324 176.2321 121 V 4.5086 8.8547 119.4127 61.5089 34.9293 175.1614 122 E 4.5510 7.4299 117.1414 56.0312 29.0191 176.5786 *130 A 4.2213 8.2029 129.8418 50.9335 20.5585 175.9555 131 I 4.6018 7.4975 114.3459 58.4091 40.8829 174.4248 132 E 4.4744 9.4505 131.1501 54.9254 31.1185 174.7800 133 V 4.0308 8.3878 127.5858 62.4184 32.6697 175.7250 134 V 4.3970 8.7055 128.9055 60.5428 32.5422 173.1006 135 W 4.8610 8.6205 125.5412 56.5047 29.9319 175.1298 136 M 4.9508 9.4749 123.4697 54.2802 36.0606 174.2009 137 R 4.5072 8.6981 124.0438 55.1623 31.1648 175.9991 138 P 4.4870 0.0000 0.0000 65.9020 31.2215 178.7578 139 E 4.1917 8.1090 116.9666 59.3423 29.3914 178.7800 140 E 4.0249 8.3959 119.3275 58.9229 29.7106 178.6930 141 A 3.8680 8.0052 120.5714 54.8418 18.4750 179.1008 142 L 4.1612 8.2012 118.8758 58.4481 42.1555 178.7887 143 E 3.9364 8.2817 119.1303 59.5041 29.5273 178.9783 144 R 3.8993 8.1491 118.0964 59.3947 29.9545 178.6292 145 H 4.2339 8.1185 119.4040 58.8081 29.6624 177.4148 146 Q 3.9537 8.1472 118.6047 58.4120 28.5782 178.0877 147 R 4.3215 7.4962 116.6973 55.7250 30.4578 177.2121 148 G 3.8089 7.8776 107.3544 45.8255 0.0000 174.4438 149 E 4.0737 8.2428 122.3298 58.1250 29.9526 177.2463 150 V 4.5042 7.1597 109.7264 59.5441 36.3166 174.7150 151 E 4.6020 8.5121 121.7408 55.1068 32.1100 174.8442 152 F 5.6731 8.6114 119.9797 56.0145 42.0230 175.3147 153 S 4.8050 8.5463 116.3789 56.8368 65.4410 175.0635 154 A 3.9994 8.7593 121.9220 55.5163 17.9930 179.9455 155 T 4.0185 8.0931 107.9560 64.9828 68.8871 176.8070 156 G 3.7462 8.1371 108.5128 47.4124 0.0000 175.4852 157 L 3.0942 7.7441 122.9477 57.4539 41.9927 179.1283 158 V 3.6159 8.0638 118.7473 65.8577 31.4246 178.2446 159 G 3.6894 8.2977 105.5229 47.7681 0.0000 175.8016 160 V 3.7693 7.8514 120.9144 65.8332 31.5848 178.1678 161 L 4.0365 8.2763 119.0915 57.8926 41.4014 178.7788 162 Y 4.1918 8.5942 119.9802 60.8877 38.6876 177.4514 163 Y 4.0556 8.3575 120.3101 61.3113 38.7737 177.7908 164 H 3.8321 8.2664 115.6293 58.5433 28.8176 177.3089 165 A 3.7897 7.3557 121.6033 53.7732 18.7306 178.0838 166 F 4.7242 7.6621 111.6166 57.0869 39.1819 175.6873 167 L 4.6401 7.8720 120.4750 54.4211 42.1878 178.3466 168 R 3.7331 7.5622 118.4241 57.9201 30.4119 176.7915 169 G 3.9549 7.1802 110.3811 46.0226 0.0000 173.0464 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 11 R 8.24 4.55 0.00 1.80 1.91 0.00 3.13 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.40 0.00 12 T 8.98 4.65 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 1.23 0.00 0.00 13 Y 9.51 5.06 0.00 2.85 2.96 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 0.00 14 L 9.02 4.68 0.00 1.57 1.78 0.94 0.83 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 15 Y 7.60 4.76 0.00 3.05 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 16 R 7.27 4.85 0.00 1.54 1.59 0.00 3.10 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 17 G 8.17 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 18 R 8.72 3.99 0.00 1.86 2.00 0.00 3.20 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 19 I 7.26 4.37 1.78 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 1.51 0.66 0.92 0.00 0.00 20 L 7.08 4.76 0.00 1.98 1.83 1.18 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.84 5.52 0.00 2.96 3.07 0.00 0.00 6.74 6.87 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 22 L 9.25 5.03 0.00 1.87 1.73 0.99 0.92 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 23 A 9.27 5.03 0.64 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 0.00 0.00 24 L 9.11 4.94 0.00 1.51 1.51 0.92 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.23 4.60 0.00 1.90 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 2.22 2.21 0.00 26 G 8.64 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.85 4.04 0.00 1.59 1.66 0.00 2.94 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.29 0.00 28 Y 7.62 4.17 0.00 3.09 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 29 E 8.86 4.90 0.00 1.91 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 2.34 0.00 30 I 8.72 4.74 1.85 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 1.30 0.94 0.90 0.00 0.00 31 V 8.91 4.86 2.26 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 1.14 0.00 0.00 1.22 0.00 0.00 32 E 9.00 4.85 0.00 2.11 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 2.40 2.36 0.00 33 H 9.69 5.17 0.00 3.09 3.08 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.57 4.37 0.00 1.67 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.42 7.81 35 P 0.00 4.71 0.00 2.16 2.21 0.00 3.66 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 2.09 1.99 0.00 36 A 9.20 5.20 1.27 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 0.00 0.00 37 V 8.75 5.19 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 0.92 0.00 0.00 0.91 0.00 0.00 38 A 9.06 5.12 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 39 V 8.69 4.77 2.05 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 0.80 0.00 0.00 0.94 0.00 0.00 40 I 9.12 4.29 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.47 1.00 0.00 0.00 41 A 8.42 5.14 1.18 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 0.00 0.00 42 L 8.77 5.22 0.00 1.70 1.65 0.97 1.14 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 43 R 9.26 4.40 0.00 1.82 1.32 0.00 3.05 0.00 0.00 2.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.48 0.00 44 E 9.87 3.82 0.00 1.98 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 2.17 2.19 0.00 45 G 8.14 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 0.00 0.00 0.00 46 R 7.85 4.79 0.00 1.96 2.12 0.00 2.97 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 47 M 9.15 4.75 0.00 1.47 1.62 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 2.30 1.36 0.00 48 L 8.03 3.57 0.00 0.54 1.11 -0.35 0.32 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 49 F 8.40 5.00 0.00 3.26 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 50 V 8.76 5.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.92 0.00 0.00 51 R 9.11 5.18 0.00 1.83 1.76 0.00 3.11 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 52 Q 8.36 4.86 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 53 M 8.63 4.10 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 54 R 8.07 4.52 0.00 2.16 1.85 0.00 3.40 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 55 P 0.00 4.21 0.00 2.19 2.13 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 56 A 8.12 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.01 4.23 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 0.85 0.00 0.00 1.04 0.00 0.00 58 G 8.40 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 59 L 7.46 4.49 0.00 1.94 1.75 0.94 0.69 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 60 A 8.15 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 61 P 0.00 4.62 0.00 2.15 2.10 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 62 L 9.10 4.32 0.00 1.65 1.62 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.08 5.44 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 64 I 7.74 4.93 2.01 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 1.22 0.71 0.92 0.00 0.00 65 P 0.00 4.47 0.00 2.03 2.01 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 66 A 8.08 4.88 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 67 G 7.93 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 0.00 0.00 0.00 0.00 68 L 8.49 4.90 0.00 1.54 1.61 1.00 0.80 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 69 I 8.15 4.17 1.87 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 1.21 0.59 0.89 0.00 0.00 70 E 9.72 4.34 0.00 1.82 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 2.31 2.42 0.00 71 P 0.00 4.30 0.00 2.02 1.97 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 72 G 9.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.42 4.64 0.00 1.99 1.91 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 2.23 2.32 0.00 74 D 8.54 4.80 0.00 2.90 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 75 P 0.00 4.19 0.00 2.35 2.29 0.00 3.54 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 1.84 1.90 0.00 76 L 7.99 3.15 0.00 1.81 1.79 0.84 0.97 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 77 E 8.58 3.87 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 78 A 7.97 4.11 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 79 A 8.01 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.75 3.67 0.00 1.78 2.02 0.00 3.07 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 81 R 7.90 3.80 0.00 1.88 2.00 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 82 E 8.33 3.93 0.00 1.95 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 2.45 2.45 0.00 83 L 7.86 3.87 0.00 1.82 1.78 0.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.83 4.16 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 85 E 8.49 3.90 0.00 1.88 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 2.55 0.00 86 E 8.28 4.28 0.00 1.97 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 2.31 2.54 0.00 87 T 7.52 4.42 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 1.09 0.00 0.00 88 G 8.66 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 89 L 7.32 5.50 0.00 1.71 1.61 1.10 0.97 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 90 S 8.77 4.53 0.00 3.83 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 91 G 7.96 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 0.00 0.00 0.00 92 D 8.87 4.88 0.00 2.58 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 93 L 8.52 5.29 0.00 1.50 1.68 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.81 4.73 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 1.18 0.00 0.00 95 Y 8.81 3.48 0.00 2.64 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 96 L 6.85 3.84 0.00 0.27 0.13 -0.25 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 97 F 5.54 4.34 0.00 2.87 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 98 S 8.74 5.34 0.00 3.61 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 99 Y 7.95 4.76 0.00 3.00 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 0.00 100 F 8.72 4.75 0.00 3.10 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 0.00 101 V 8.29 3.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.93 0.00 0.00 102 S 7.36 4.74 0.00 3.95 3.43 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 0.00 103 P 0.00 4.35 0.00 2.08 2.05 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 104 G 8.02 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 0.00 105 F 7.83 4.98 0.00 3.24 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 0.00 106 T 7.30 5.07 3.32 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 0.53 0.00 0.00 107 D 8.37 4.80 0.00 2.74 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 0.00 108 E 7.93 4.01 0.00 1.80 1.75 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 2.17 2.14 0.00 109 K 8.69 4.61 0.00 1.52 1.41 0.00 1.06 0.00 0.00 1.57 0.00 0.00 2.48 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.80 0.39 7.81 110 T 8.12 4.88 2.93 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 0.00 0.00 1.16 0.00 0.00 111 H 9.36 5.05 0.00 3.34 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.89 4.87 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 0.95 0.00 0.00 1.28 0.00 0.00 113 F 9.36 5.05 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.84 5.04 0.00 1.51 1.41 1.00 1.04 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 0.00 115 A 8.94 5.27 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 0.00 116 E 8.81 4.66 0.00 1.91 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 2.26 2.29 0.00 117 N 8.66 4.19 0.00 2.96 2.86 0.00 0.00 6.94 7.85 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 0.00 118 L 7.79 4.47 0.00 1.62 1.72 1.23 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.38 4.72 0.00 1.66 1.66 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.39 7.81 120 E 8.80 4.76 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 121 V 8.85 4.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 122 E 7.43 4.55 0.00 1.90 1.12 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 2.20 2.28 0.00 *130 A 8.20 4.22 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 0.00 131 I 7.50 4.60 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 1.22 1.12 0.94 0.00 0.00 132 E 9.45 4.47 0.00 2.06 1.91 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 2.26 2.26 0.00 133 V 8.39 4.03 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 0.58 0.00 0.00 0.89 0.00 0.00 134 V 8.71 4.40 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 1.01 0.00 0.00 0.96 0.00 0.00 135 W 8.62 4.86 0.00 3.26 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 0.00 136 M 9.47 4.95 0.00 2.41 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 137 R 8.70 4.51 0.00 1.96 2.05 0.00 3.50 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.66 0.00 138 P 0.00 4.49 0.00 1.42 1.96 0.00 3.01 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.81 0.00 139 E 8.11 4.19 0.00 2.13 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 2.54 2.66 0.00 140 E 8.40 4.02 0.00 2.14 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 2.33 2.38 0.00 141 A 8.01 3.87 1.30 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 0.00 142 L 8.20 4.16 0.00 2.04 1.99 1.06 0.66 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 0.00 143 E 8.28 3.94 0.00 2.13 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 2.31 2.37 0.00 144 R 8.15 3.90 0.00 1.94 1.96 0.00 3.05 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 145 H 8.12 4.23 0.00 2.52 3.38 0.00 5.64 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 0.00 146 Q 8.15 3.95 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 147 R 7.50 4.32 0.00 1.86 1.93 0.00 3.20 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 148 G 7.88 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 0.00 149 E 8.24 4.07 0.00 1.90 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 2.27 2.38 0.00 150 V 7.16 4.50 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 0.60 0.00 0.00 0.54 0.00 0.00 151 E 8.51 4.60 0.00 1.85 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 2.28 2.25 0.00 152 F 8.61 5.67 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.55 4.80 0.00 3.93 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.76 4.00 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 0.00 155 T 8.09 4.02 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 1.36 0.00 0.00 156 G 8.14 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 0.00 0.00 0.00 157 L 7.74 3.09 0.00 1.36 1.59 0.60 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.06 3.62 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.61 0.00 0.00 159 G 8.30 3.69 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 0.00 0.00 0.00 160 V 7.85 3.77 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 1.16 0.00 0.00 1.10 0.00 0.00 161 L 8.28 4.04 0.00 1.72 1.69 0.84 0.62 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 0.00 162 Y 8.59 4.19 0.00 3.42 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 0.00 163 Y 8.36 4.06 0.00 3.22 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 0.00 164 H 8.27 3.83 0.00 3.33 3.31 0.00 5.70 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 0.00 165 A 7.36 3.79 0.47 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 0.00 166 F 7.66 4.72 0.00 2.33 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.64 0.00 1.56 1.72 1.27 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.56 3.73 0.00 1.58 1.84 0.00 3.13 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.00 169 G 7.18 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 * Residues marked with a * may have inaccurate shift predictions.