NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5175 8.3493 120.1933 54.3807 41.9959 178.1026 8 T 4.3799 8.6569 108.7509 58.7538 71.5425 174.0950 9 F 4.3887 8.8099 122.2459 61.6732 40.2200 178.0055 10 V 2.9943 7.6583 117.2212 66.0741 30.8194 177.7732 11 S 4.1598 7.2748 112.9639 60.7610 62.7723 175.5681 12 G 4.0191 7.6980 106.2809 45.0349 0.0000 172.4583 13 Y 4.4934 7.4990 122.0663 56.3645 39.5301 175.4376 14 L 3.7822 8.4975 129.3710 58.5381 42.0839 178.9210 15 L 3.7799 6.1736 117.9409 57.4306 41.5106 178.6641 16 Y 4.0123 7.6728 120.1532 60.4429 38.8727 177.4979 17 L 3.8874 7.7888 119.4948 57.5732 41.7297 179.4140 18 L 3.8292 8.1297 119.0015 57.6929 41.6308 179.2020 19 A 3.8869 7.9233 120.4431 55.2506 18.3404 179.5971 20 A 3.6917 7.9314 119.4485 55.0535 18.3117 179.8055 21 S 3.9337 7.6083 113.2376 61.9561 63.0521 176.8774 22 S 4.0551 8.0217 115.4486 61.4333 62.1940 175.9259 23 E 3.8934 8.2590 121.9471 59.3800 27.8545 178.6742 24 E 3.9709 8.6971 118.8549 59.2452 29.2826 179.1762 25 A 4.3058 8.3607 120.4502 55.2430 18.6948 179.5820 26 S 4.1987 8.0990 113.4000 61.4034 62.6615 176.5373 27 A 3.9940 7.6840 122.6427 55.9106 18.2128 178.6168 28 Q 3.7253 7.7130 114.3354 60.2063 28.7933 179.0647 29 F 4.1606 7.8583 120.9131 61.8093 39.7359 176.8741 30 H 4.2057 8.7471 112.8418 57.0251 28.0917 176.6120 31 D 4.3208 7.6865 122.7937 56.6225 41.1716 178.0284 32 H 3.9208 7.8188 118.2311 59.3270 29.8438 176.7707 33 I 3.2965 6.6253 120.9257 64.7231 36.7149 178.4382 34 R 3.8528 7.0846 116.1463 59.0391 29.9215 178.8624 35 A 4.0814 7.4515 120.2396 55.1492 18.3701 179.2782 36 Q 4.1647 7.5813 112.8846 56.2569 28.8186 176.4581 37 G 3.7289 7.6484 108.0632 46.9528 0.0000 173.4958 38 L 4.9225 7.6000 117.5514 52.5735 45.0218 176.8829 39 R 4.6586 9.1194 118.9650 54.2043 33.5147 177.6865 40 V 3.6954 8.2850 120.6691 66.2602 31.5929 176.9019 41 P 4.2680 0.0000 0.0000 65.2446 31.1620 178.5673 42 E 3.9862 8.1614 117.4960 58.9249 29.4749 178.7252 43 W 4.3675 8.4301 128.5028 60.8087 30.8271 178.1077 44 R 3.2053 8.0336 118.0176 59.0142 29.4666 179.2932 45 V 3.4756 7.4573 117.6158 65.8408 31.4835 178.0609 46 L 3.9285 7.9096 118.5230 57.7312 41.2455 179.2558 47 A 3.6677 7.4364 119.8742 55.3966 18.2007 179.2621 48 C 4.1426 7.6091 113.9804 62.0527 28.6886 175.3017 49 L 4.4427 7.4604 118.4152 54.9088 41.5146 178.8648 50 V 3.7649 7.4720 119.3602 64.0071 31.3947 176.4425 51 D 4.8575 7.9328 115.6925 53.7535 42.2567 175.5652 52 N 5.1071 7.5016 115.3900 51.1509 41.9962 174.3585 53 D 4.3687 8.8980 121.7320 55.8270 39.9456 176.0451 54 A 5.1964 7.2859 119.1651 48.4582 22.5203 175.3925 *57 I 4.2154 8.1046 118.8867 61.6565 39.4586 178.7469 58 T 3.8179 7.9383 110.7169 65.0205 68.4012 176.3898 59 R 3.8795 7.9039 121.5483 58.5452 30.0794 178.1747 60 L 3.8940 7.8823 118.2089 57.7815 41.5030 179.0584 61 A 3.9436 7.9001 119.2835 55.2825 18.5291 178.9745 62 K 3.8488 8.1679 117.8894 60.0689 31.9880 178.7691 63 L 3.9654 8.1561 119.3568 57.5578 41.7203 178.9375 64 S 4.6035 7.9700 112.3815 56.6846 63.8383 173.5396 65 L 3.3590 7.5640 122.8670 54.8903 38.6069 172.9884 *67 E 4.1270 8.0787 120.8008 55.4840 30.7203 175.9667 68 Q 4.1602 8.6940 123.7267 58.9192 29.2833 178.1553 69 S 4.3673 10.1802 112.7353 60.3561 63.6572 177.0381 70 R 4.1256 8.4248 119.8353 56.8116 29.6421 178.1015 *72 T 4.2442 8.0415 114.7775 63.1401 70.5674 176.0870 73 R 3.9699 8.2099 121.0581 59.6291 29.7878 178.4958 74 I 3.6583 7.5961 118.0092 64.4020 37.2631 178.0677 75 V 3.7377 7.7861 116.9666 66.4691 31.5704 177.2823 76 D 4.5423 8.2686 118.3508 57.0975 40.5464 179.0041 77 Q 4.1997 8.3196 120.2238 56.0793 29.1082 177.6598 *79 D 5.2385 8.3743 116.9533 53.9809 43.0167 176.8757 80 A 4.0124 7.9468 120.4254 55.4533 18.3256 178.5592 81 R 4.1367 8.2303 112.0085 56.4360 30.1362 177.3324 82 G 3.9206 8.6058 106.4194 46.0719 0.0000 174.6823 83 L 4.4180 7.7140 120.7223 55.8867 43.3126 176.6394 84 V 4.8750 7.4764 117.4605 61.7018 35.2864 173.3817 85 T 4.9889 9.2069 120.1106 60.4776 71.3949 172.6908 86 R 4.7175 8.4608 124.7522 55.5844 31.3918 176.3664 87 V 3.8313 8.6980 124.3571 61.9993 32.0838 175.8616 88 A 3.8279 8.6153 131.5261 52.3583 17.0979 176.0490 *95 R 3.8794 8.1559 120.5475 56.9488 30.4308 175.1513 96 V 4.2391 8.2851 125.8494 61.3215 32.4683 174.9555 97 R 4.7372 8.2686 125.4872 54.3881 34.4044 174.2795 98 V 4.9661 8.4075 122.3764 61.1326 34.6114 174.3276 99 R 4.8431 8.9469 122.7741 54.0773 33.4220 174.2800 100 L 4.7153 8.4094 119.3661 54.8615 42.7311 177.3272 101 T 4.2823 8.4817 113.0856 60.9132 70.6794 175.3074 102 D 4.3815 8.8293 120.5865 57.7976 40.6768 178.9400 103 D 4.4457 8.1151 118.8572 57.3610 40.9067 178.8915 104 G 3.6561 8.4450 106.6089 47.6740 0.0000 175.8130 105 R 3.8848 8.3755 121.1871 59.2047 30.2487 178.3792 106 A 4.0756 8.2987 120.9470 55.0484 18.2694 179.4553 107 L 3.9132 8.1503 118.5772 58.1945 42.2205 178.8833 108 A 4.1247 8.6890 121.1048 55.3664 18.2437 179.3859 109 E 3.9456 8.7195 117.3581 59.6235 29.6882 179.6272 110 S 4.1179 8.0375 112.7922 61.5473 62.5540 176.2677 111 L 4.1975 8.3351 121.8738 57.7257 41.4270 179.6262 112 V 3.9722 8.8857 118.5210 65.7800 31.4174 177.5887 113 A 3.9860 8.3011 120.8739 55.6001 18.1103 179.6055 114 S 4.0280 8.0152 112.5308 61.7334 62.9290 176.6730 115 A 2.8617 8.2920 123.4998 55.2738 18.0454 180.0822 116 R 3.9265 8.4810 116.2159 58.9096 30.0772 179.3664 117 A 3.8954 8.1332 121.0242 55.3157 18.4654 178.9500 118 H 4.0051 8.3323 117.1194 59.5320 29.8337 176.8492 119 E 3.7757 8.3814 121.3203 59.6486 29.3993 178.9633 120 T 3.8174 7.8421 115.6290 66.6985 68.4969 176.8831 121 R 3.9115 7.8608 119.8640 58.9858 29.8183 178.9483 122 L 3.8508 7.6235 119.1434 58.2815 42.3834 178.8955 123 L 4.1024 8.1209 118.9893 57.3627 41.4607 179.5391 124 S 4.0167 8.1481 113.2769 61.3231 62.2366 175.9725 125 A 4.1078 7.8065 121.4128 54.0557 18.4535 178.3529 126 L 4.4149 7.4777 115.8848 54.8787 42.0890 178.0802 127 A 4.1364 7.8678 120.9713 54.2853 18.4506 177.8845 128 D 4.5307 7.9745 115.2438 54.8841 41.5554 175.6015 129 T 4.6663 7.3763 109.2536 59.1228 71.4476 174.6719 130 D 4.2669 8.6768 120.2769 57.2755 41.0715 177.6059 131 A 4.3694 8.2301 120.4635 52.0295 18.8032 178.7326 132 A 4.0975 7.6873 121.9276 55.8533 18.6294 179.9482 133 R 4.4719 7.7730 113.5361 56.4103 31.0777 178.5818 134 I 3.6331 7.5141 120.9626 64.2823 37.8676 177.1802 135 K 3.9467 8.1942 118.8023 59.6009 31.8662 179.2070 136 G 3.5649 8.0121 105.0625 47.7503 0.0000 175.2772 137 V 3.5876 7.7861 121.1471 65.8997 31.4661 177.9855 138 L 3.9424 8.2363 118.6822 57.9832 41.6504 179.6801 139 R 4.1622 8.2642 118.2646 59.1095 29.8543 178.8249 140 T 3.8669 8.0678 116.1244 66.3954 68.4751 176.2183 141 L 3.9134 8.0781 122.5077 58.3991 41.8608 178.9354 142 L 4.0027 8.0865 117.6180 58.1356 41.6171 179.0975 143 D 4.4825 7.7149 117.3331 57.0811 41.1293 178.7743 144 V 3.7439 8.0471 119.0501 65.9336 31.4782 177.8117 145 L 4.2275 8.1307 116.2711 56.3140 41.4397 176.9735 146 D 4.5618 7.6789 123.8640 54.3167 41.1186 175.9265 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 7 D 8.35 4.52 0.00 2.66 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 0.00 0.00 0.00 8 T 8.66 4.38 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 F 8.81 4.39 0.00 3.04 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 10 V 7.66 2.99 1.77 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 0.09 0.00 0.00 0.77 0.00 0.00 11 S 7.27 4.16 0.00 4.11 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 12 G 7.70 4.02 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 0.00 0.00 0.00 13 Y 7.50 4.49 0.00 2.24 2.43 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 14 L 8.50 3.78 0.00 1.72 1.50 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 L 6.17 3.78 0.00 1.08 1.55 1.05 0.68 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 16 Y 7.67 4.01 0.00 3.00 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 17 L 7.79 3.89 0.00 1.82 1.64 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.13 3.83 0.00 1.54 1.62 0.84 0.50 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 19 A 7.92 3.89 1.25 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 0.00 0.00 0.00 20 A 7.93 3.69 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 21 S 7.61 3.93 0.00 3.98 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 22 S 8.02 4.06 0.00 3.86 4.02 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 23 E 8.26 3.89 0.00 2.08 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 2.28 2.37 0.00 24 E 8.70 3.97 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 2.32 2.30 0.00 25 A 8.36 4.31 1.34 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 0.00 0.00 0.00 26 S 8.10 4.20 0.00 3.98 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.68 3.99 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 28 Q 7.71 3.73 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 29 F 7.86 4.16 0.00 2.72 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 30 H 8.75 4.21 0.00 3.16 3.23 0.00 5.68 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 31 D 7.69 4.32 0.00 2.74 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 32 H 7.82 3.92 0.00 3.08 3.01 0.00 5.90 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 33 I 6.63 3.30 1.46 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.78 0.00 0.00 34 R 7.08 3.85 0.00 2.05 1.92 0.00 3.11 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 35 A 7.45 4.08 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 36 Q 7.58 4.16 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 37 G 7.65 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 38 L 7.60 4.92 0.00 1.75 1.62 1.02 0.94 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 39 R 9.12 4.66 0.00 1.80 1.82 0.00 3.15 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 40 V 8.29 3.70 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 1.24 0.00 0.00 0.71 0.00 0.00 41 P 0.00 4.27 0.00 2.20 2.09 0.00 3.60 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 2.12 2.18 0.00 42 E 8.16 3.99 0.00 2.16 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 2.41 2.38 0.00 43 W 8.43 4.37 0.00 3.41 3.34 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 0.00 44 R 8.03 3.21 0.00 1.89 1.78 0.00 3.19 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.89 0.00 45 V 7.46 3.48 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 0.99 0.00 0.00 0.94 0.00 0.00 46 L 7.91 3.93 0.00 1.92 1.75 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.44 3.67 0.34 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 0.00 0.00 0.00 48 C 7.61 4.14 0.00 3.01 2.92 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 49 L 7.46 4.44 0.00 1.72 1.66 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.47 3.76 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 51 D 7.93 4.86 0.00 2.62 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 52 N 7.50 5.11 0.00 2.70 2.65 0.00 0.00 6.97 7.94 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 53 D 8.90 4.37 0.00 2.78 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 54 A 7.29 5.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 I 8.10 4.22 1.86 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 1.46 0.60 0.90 0.00 0.00 58 T 7.94 3.82 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 1.28 0.00 0.00 59 R 7.90 3.88 0.00 1.88 1.94 0.00 3.17 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 60 L 7.88 3.89 0.00 1.86 1.66 0.89 0.72 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 61 A 7.90 3.94 1.34 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 0.00 0.00 0.00 62 K 8.17 3.85 0.00 1.97 1.92 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 63 L 8.16 3.97 0.00 1.59 1.68 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.97 4.60 0.00 3.80 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 65 L 7.56 3.36 0.00 1.78 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 *67 E 8.08 4.13 0.00 1.95 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 2.19 2.29 0.00 68 Q 8.69 4.16 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 69 S 10.18 4.37 0.00 4.01 4.11 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 70 R 8.42 4.13 0.00 1.86 2.05 0.00 3.12 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *72 T 8.04 4.24 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 1.21 0.00 0.00 73 R 8.21 3.97 0.00 2.03 2.01 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 74 I 7.60 3.66 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 1.41 0.65 0.91 0.00 0.00 75 V 7.79 3.74 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 0.86 0.00 0.00 0.91 0.00 0.00 76 D 8.27 4.54 0.00 2.93 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 77 Q 8.32 4.20 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 *79 D 8.37 5.24 0.00 2.86 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 80 A 7.95 4.01 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 81 R 8.23 4.14 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 82 G 8.61 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 83 L 7.71 4.42 0.00 1.62 1.73 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.48 4.88 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 0.92 0.00 0.00 0.92 0.00 0.00 85 T 9.21 4.99 4.24 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 1.21 0.00 0.00 86 R 8.46 4.72 0.00 1.73 1.83 0.00 3.25 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 87 V 8.70 3.83 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 0.71 0.00 0.00 0.92 0.00 0.00 88 A 8.62 3.83 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 *95 R 8.16 3.88 0.00 1.80 1.92 0.00 3.21 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 96 V 8.29 4.24 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 0.88 0.00 0.00 0.93 0.00 0.00 97 R 8.27 4.74 0.00 1.78 1.73 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 98 V 8.41 4.97 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 1.02 0.00 0.00 0.92 0.00 0.00 99 R 8.95 4.84 0.00 1.98 1.99 0.00 2.82 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 100 L 8.41 4.72 0.00 1.56 1.64 0.96 0.90 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 0.00 101 T 8.48 4.28 4.24 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 1.22 0.00 0.00 102 D 8.83 4.38 0.00 2.71 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 0.00 103 D 8.12 4.45 0.00 2.69 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 0.00 104 G 8.44 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.38 3.88 0.00 1.98 2.09 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 106 A 8.30 4.08 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.15 3.91 0.00 1.94 1.89 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.69 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 3.95 0.00 2.25 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 0.00 2.36 2.35 0.00 110 S 8.04 4.12 0.00 4.00 4.12 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 0.00 111 L 8.34 4.20 0.00 2.09 1.90 1.08 0.71 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 0.00 112 V 8.89 3.97 2.30 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 1.02 0.00 0.00 1.23 0.00 0.00 113 A 8.30 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.02 4.03 0.00 4.23 4.11 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 0.00 115 A 8.29 2.86 1.02 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 0.00 0.00 116 R 8.48 3.93 0.00 1.80 1.97 0.00 3.13 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 117 A 8.13 3.90 1.34 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 0.00 0.00 0.00 118 H 8.33 4.01 0.00 3.13 3.28 0.00 5.60 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 0.00 119 E 8.38 3.78 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 2.24 2.30 0.00 120 T 7.84 3.82 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 1.19 0.00 0.00 121 R 7.86 3.91 0.00 2.00 1.95 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 122 L 7.62 3.85 0.00 1.62 1.59 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.12 4.10 0.00 1.68 1.67 0.92 0.95 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 0.00 124 S 8.15 4.02 0.00 3.94 4.02 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 0.00 125 A 7.81 4.11 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 0.00 126 L 7.48 4.41 0.00 1.80 1.68 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.87 4.14 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 0.00 128 D 7.97 4.53 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.38 4.67 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 1.20 0.00 0.00 130 D 8.68 4.27 0.00 2.68 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 0.00 131 A 8.23 4.37 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 0.00 132 A 7.69 4.10 1.33 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 0.00 133 R 7.77 4.47 0.00 1.85 1.92 0.00 3.14 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 134 I 7.51 3.63 2.02 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 1.50 1.49 0.89 0.00 0.00 135 K 8.19 3.95 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 136 G 8.01 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.79 3.59 2.24 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 1.10 0.00 0.00 0.97 0.00 0.00 138 L 8.24 3.94 0.00 1.81 1.69 0.90 0.68 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 0.00 139 R 8.26 4.16 0.00 2.00 1.91 0.00 3.25 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 140 T 8.07 3.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 141 L 8.08 3.91 0.00 1.72 1.84 0.91 0.92 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 0.00 142 L 8.09 4.00 0.00 1.80 1.72 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.71 4.48 0.00 2.82 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 0.00 144 V 8.05 3.74 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 1.03 0.00 0.00 0.99 0.00 0.00 145 L 8.13 4.23 0.00 1.75 1.71 0.91 0.90 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 0.00 146 D 7.68 4.56 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.