NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2177 8.3049 118.1621 54.1680 33.2981 175.1470 2 F 4.9511 7.7969 118.1901 55.4940 40.7964 173.4935 3 N 4.7599 10.1867 123.4495 54.3604 41.7016 174.2840 4 R 4.9306 8.6852 118.6524 55.0753 32.8684 173.4673 5 I 4.7948 9.0283 128.4525 59.7878 39.5502 174.4797 6 M 5.0647 9.1982 127.3534 53.9083 34.8445 174.7507 7 V 5.0051 9.1302 126.2486 59.5161 33.6528 172.4853 8 P 4.9701 0.0000 0.0000 62.5173 31.9123 176.5069 9 V 4.6057 9.1892 117.8297 59.3403 35.5144 175.8302 10 D 4.7282 8.4238 121.1419 52.6873 40.1560 176.7972 11 G 3.8637 8.3467 106.3330 46.7662 0.0000 174.2512 12 S 4.7930 7.7055 114.3095 56.3427 66.4531 175.1475 13 K 4.1156 8.4980 121.9635 59.4546 31.7847 179.7580 14 G 3.9620 8.3890 106.7681 47.3209 0.0000 175.4482 15 A 4.0526 8.1027 123.2223 54.6312 18.2599 179.9078 16 V 3.5337 7.6994 116.5114 66.1638 31.6844 178.4672 17 K 3.9500 8.1549 118.0555 59.2146 31.7584 179.1570 18 A 3.9686 8.0114 121.1385 55.1307 18.2589 179.3218 19 L 3.8830 8.2348 119.1654 58.4985 42.1728 179.0470 20 E 3.9607 8.4506 118.5815 59.3957 29.3768 179.5620 21 K 4.1474 8.1091 118.2661 59.1585 32.1050 179.6131 22 G 3.6377 8.3799 106.4422 47.7170 0.0000 175.9076 23 V 3.7026 8.1857 120.9691 65.7290 31.0884 178.1946 24 G 3.7117 7.9938 105.3523 48.1003 0.0000 175.5624 25 L 4.2137 8.1284 121.1614 57.0389 41.6475 179.3457 26 Q 4.0164 8.2054 119.9374 59.4352 28.8803 178.3631 27 Q 4.3462 8.1380 117.3091 58.2279 28.7724 177.7623 28 L 4.2625 7.4682 119.8664 56.6955 42.3195 177.5603 29 T 4.5944 7.5176 107.2210 60.1137 70.1734 174.8295 30 G 3.8612 8.5476 109.1384 46.2413 0.0000 173.5945 31 A 4.4799 7.5229 120.8567 51.1511 19.4768 178.2251 32 E 4.3086 9.4006 119.5452 56.4143 31.1222 176.2574 33 L 5.1745 9.3481 126.1311 53.8498 44.2078 174.4599 34 Y 5.0916 9.6871 125.6939 56.8872 40.0091 174.8708 35 I 5.0419 9.0822 125.1370 59.4245 40.5801 174.3650 36 L 5.1610 8.7295 127.7640 53.3383 45.6590 174.3360 37 C 5.3090 8.7788 126.1911 56.7514 34.0317 172.3787 38 V 4.8389 8.4450 126.4797 61.4167 32.6143 174.7112 39 F 5.1330 8.5974 122.2292 54.9602 41.2447 174.2224 40 K 4.6095 8.7597 119.9495 55.8550 32.3200 176.1433 41 H 4.5678 8.6918 119.6276 56.2234 30.4959 173.7403 *47 A 4.0456 7.7479 121.4615 52.1840 18.1402 175.4568 48 S 4.7687 8.4522 116.1190 58.7881 63.6769 174.1259 49 L 4.6852 7.5906 119.9230 53.6817 43.2723 176.9101 50 S 4.2368 8.6180 117.1540 61.0527 62.7167 173.7341 51 M 4.7808 7.5028 116.4948 53.2633 35.1878 173.9686 52 A 4.1668 8.3185 125.8884 51.9627 19.1846 177.9535 53 R 4.3568 8.2152 119.6703 55.0846 32.5466 178.5982 54 P 4.3489 0.0000 0.0000 63.9833 30.2332 178.3041 *56 Q 4.1862 8.7075 126.6431 55.9782 30.5829 174.6055 57 L 4.3946 7.9673 119.5742 56.1096 43.1724 177.3542 58 D 4.6507 7.8036 118.0917 54.0669 38.3956 174.1097 59 I 3.8638 7.8065 123.0157 59.9995 38.1023 174.6269 60 P 4.3603 0.0000 0.0000 62.9604 32.0779 176.8414 61 D 4.4892 8.9275 121.0717 58.0508 40.7026 179.2290 62 D 4.3022 8.0882 118.4074 56.9132 40.8294 178.5791 63 A 3.9116 7.9365 121.4681 55.2777 18.4976 179.7631 64 L 4.0727 7.8087 117.0716 57.6925 41.6612 179.5740 65 K 2.7875 7.6896 119.6957 59.1385 31.9433 178.7294 66 D 4.2611 8.3787 119.5999 57.2575 40.6591 178.1525 67 Y 4.2545 8.1221 119.8926 60.7861 38.8470 177.8412 68 A 3.7836 7.9612 121.6412 55.4663 18.3830 179.7728 69 T 3.7743 8.0316 114.4153 66.8035 68.5144 176.7709 70 E 3.9630 8.4691 120.7971 59.4197 29.4525 179.5227 71 I 3.6249 7.8335 119.6288 64.3013 37.1688 178.3746 72 A 3.9661 8.0705 121.6734 55.0803 18.1455 179.9111 73 V 3.4955 7.9660 116.9188 65.9627 31.6222 177.9090 74 Q 3.9145 8.2053 119.1634 59.2671 28.8052 178.3098 75 A 3.9875 7.9355 121.6356 55.0218 18.2723 179.5560 76 K 3.8632 8.1328 118.0846 59.9473 32.3230 179.2238 77 T 3.8528 8.2742 116.4822 66.6922 68.4308 176.7208 78 R 4.0812 8.6491 120.7642 59.2010 30.0864 178.3156 79 A 4.0125 8.3274 121.0779 55.5842 18.2431 179.8052 80 T 4.7400 7.6802 115.5464 66.2669 68.3047 177.0103 81 E 4.0322 8.1495 119.7527 58.8472 29.5448 178.4509 82 L 4.4083 7.7465 116.6396 54.3465 42.2003 176.4242 83 G 3.6729 7.2653 106.7429 45.1527 0.0000 174.5941 84 V 3.8008 8.0387 122.3131 61.5422 32.4536 173.7319 85 P 4.5737 0.0000 0.0000 62.4899 32.2206 177.1033 86 A 4.0065 8.7439 124.8437 55.4209 18.4081 179.4411 87 D 4.5246 8.0246 112.8109 55.0975 39.9779 176.9153 88 K 4.2851 8.0038 118.7091 56.5027 32.7657 175.5341 89 V 4.7776 7.4244 119.6306 61.1505 32.9968 175.0847 90 R 4.4059 8.9126 126.8336 54.3396 32.9408 174.2373 91 A 5.1877 8.2477 125.8776 50.2513 21.1451 175.6858 92 F 4.8811 9.4387 119.8636 55.5838 43.7088 174.1252 93 V 5.0094 8.4759 120.0897 61.2780 34.1929 174.8339 94 K 4.7287 8.9117 125.5886 54.6523 36.6631 175.4078 95 G 3.0328 9.1565 110.5917 43.8903 0.0000 174.7407 96 G 3.7848 7.2660 110.6886 44.8793 0.0000 171.9152 97 R 4.1632 7.9233 119.9243 54.8059 31.3531 174.9916 98 P 4.1661 0.0000 0.0000 65.8481 31.6341 178.7201 99 S 4.0745 7.9940 113.0765 61.7586 62.8638 176.7024 100 R 3.9027 7.9062 120.6527 59.7963 29.8816 178.5357 101 T 3.9053 8.3917 115.9384 66.4807 68.3359 176.7664 102 I 3.7242 8.2060 122.1095 64.6855 37.1549 178.9971 103 V 3.6478 7.8880 113.1186 64.2698 31.2607 178.7368 104 R 3.8664 8.1715 118.6039 59.2641 29.9573 178.3669 105 F 4.0009 8.4230 120.2845 61.2238 39.3284 176.8328 106 A 3.8793 8.3193 120.6307 55.1094 18.1159 179.6387 107 R 3.3098 7.6911 116.6034 59.5222 30.0483 178.8277 108 K 3.7984 7.8249 117.0518 58.8923 32.0920 178.2782 109 R 3.9732 7.4080 115.8295 54.7617 30.4174 175.4395 110 E 3.7186 7.8493 115.4366 58.0018 27.6693 174.8614 111 C 4.2837 8.0203 115.5307 60.0116 28.8060 173.8464 112 D 4.9393 8.5374 121.7347 53.2034 40.2510 175.8629 113 L 4.5866 7.5373 121.2635 53.8994 45.9949 173.8958 114 V 4.7167 8.5879 125.9893 61.1267 33.9889 174.1544 115 V 4.7309 8.9474 128.7769 61.3140 33.1833 174.1850 116 I 4.6603 8.7726 128.3625 58.6953 41.6364 174.7590 117 G 3.9838 8.7108 114.5333 46.2101 0.0000 173.6888 118 A 4.2388 8.7217 125.9924 54.2283 19.0634 177.4354 119 Q 5.0270 7.8682 112.6787 54.1961 33.8642 173.9179 120 G 4.1973 8.2040 109.6680 43.8376 0.0000 175.5971 121 T 4.0138 8.8936 111.9585 63.9593 69.0346 174.9303 122 N 4.8833 7.9803 118.6526 52.7960 39.0156 174.8993 123 G 3.7021 7.9726 108.8613 45.8088 0.0000 174.0385 124 D 4.7511 8.7586 122.7936 52.3622 39.7632 176.1538 125 K 3.8478 7.7244 115.6423 58.3943 29.9278 174.8242 126 S 4.8766 7.9240 114.1586 56.8745 66.2995 174.2015 127 L 4.3586 8.3720 120.0503 55.3255 41.2924 177.0308 128 L 4.0659 7.6540 120.2507 54.2594 41.7675 176.5043 129 L 4.1042 8.4957 126.8043 54.2947 42.7813 176.8669 130 G 3.8417 9.0537 115.9734 45.4000 0.0000 174.6102 131 S 4.0992 8.5843 116.3652 61.0745 63.0399 177.0576 132 V 3.8538 7.9659 122.5135 65.1670 31.3493 177.4652 133 A 3.9582 8.0151 120.0959 55.3004 18.2861 179.0701 134 Q 3.8878 8.3027 118.0612 59.6316 29.1450 178.9727 135 R 3.9520 7.9328 118.9583 59.1087 30.0246 179.3107 136 V 3.5500 8.1133 118.1169 65.9086 31.3490 177.8306 137 A 4.0705 8.0885 119.7594 55.2748 18.2470 179.5827 138 G 3.6711 7.9097 103.0145 47.1644 0.0000 175.3027 139 S 4.5637 7.8667 113.9994 57.7117 64.4565 174.7350 140 A 4.1720 7.5118 125.9120 52.4155 18.5980 177.3390 141 H 4.4127 8.8480 116.4614 57.2016 29.1886 174.4406 142 C 4.8566 7.3061 113.4080 55.0050 32.9589 171.8462 143 P 4.4064 0.0000 0.0000 62.8401 32.2124 175.8288 144 V 4.7128 8.2094 122.4653 61.0473 33.9413 174.4532 145 L 4.3416 9.0712 131.5488 53.9633 43.0550 175.4854 146 V 4.4431 8.3229 127.7192 61.8321 32.3003 175.8054 147 V 4.0365 8.5276 128.0241 62.9652 31.0284 175.3391 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 M 8.30 4.22 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.05 0.00 2 F 7.80 4.95 0.00 3.17 3.05 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 3 N 10.19 4.76 0.00 2.62 2.88 0.00 0.00 5.96 7.53 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 4 R 8.69 4.93 0.00 1.83 1.67 0.00 2.98 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.44 0.00 5 I 9.03 4.79 1.90 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 0.97 0.79 0.85 0.00 0.00 6 M 9.20 5.06 0.00 2.07 1.95 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 2.76 2.57 0.00 7 V 9.13 5.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.95 0.00 0.00 8 P 0.00 4.97 0.00 1.97 1.97 0.00 3.85 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 2.03 2.13 0.00 9 V 9.19 4.61 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 0.84 0.00 0.00 0.96 0.00 0.00 10 D 8.42 4.73 0.00 2.74 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 11 G 8.35 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 0.00 0.00 0.00 12 S 7.71 4.79 0.00 4.17 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 13 K 8.50 4.12 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.52 7.81 14 G 8.39 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.10 4.05 1.42 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 0.00 0.00 0.00 16 V 7.70 3.53 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 17 K 8.15 3.95 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.60 7.81 18 A 8.01 3.97 1.39 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 0.00 0.00 19 L 8.23 3.88 0.00 1.83 1.89 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.45 3.96 0.00 2.21 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 2.33 2.51 0.00 21 K 8.11 4.15 0.00 1.92 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.59 7.81 22 G 8.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.19 3.70 2.25 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 1.09 0.00 0.00 0.99 0.00 0.00 24 G 7.99 3.71 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 0.00 0.00 0.00 25 L 8.13 4.21 0.00 1.72 1.79 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.21 4.02 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 27 Q 8.14 4.35 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 28 L 7.47 4.26 0.00 1.90 1.88 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.52 4.59 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 1.38 0.00 0.00 30 G 8.55 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 0.00 0.00 0.00 31 A 7.52 4.48 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 32 E 9.40 4.31 0.00 2.11 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 0.00 2.44 2.37 0.00 33 L 9.35 5.17 0.00 1.76 1.58 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.69 5.09 0.00 3.14 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 35 I 9.08 5.04 1.91 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 1.16 0.77 0.93 0.00 0.00 36 L 8.73 5.16 0.00 1.49 1.37 0.55 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.78 5.31 0.00 2.98 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 38 V 8.45 4.84 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 0.82 0.00 0.00 0.85 0.00 0.00 39 F 8.60 5.13 0.00 3.21 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 40 K 8.76 4.61 0.00 1.71 1.78 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.46 7.81 41 H 8.69 4.57 0.00 3.48 3.53 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 A 7.75 4.05 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 48 S 8.45 4.77 0.00 3.96 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 49 L 7.59 4.69 0.00 1.64 1.78 0.92 0.91 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 50 S 8.62 4.24 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 51 M 7.50 4.78 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 52 A 8.32 4.17 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 53 R 8.22 4.36 0.00 1.97 1.89 0.00 3.24 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 54 P 0.00 4.35 0.00 2.25 1.21 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 *56 Q 8.71 4.19 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 57 L 7.97 4.39 0.00 1.64 1.66 0.92 1.39 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 58 D 7.80 4.65 0.00 2.71 2.64 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 59 I 7.81 3.86 1.89 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 1.40 0.66 0.91 0.00 0.00 60 P 0.00 4.36 0.00 2.16 1.99 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 61 D 8.93 4.49 0.00 2.79 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 62 D 8.09 4.30 0.00 2.73 2.67 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 63 A 7.94 3.91 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 64 L 7.81 4.07 0.00 1.77 1.88 1.12 0.82 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 65 K 7.69 2.79 0.00 1.07 1.59 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.12 0.69 7.81 66 D 8.38 4.26 0.00 2.83 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 67 Y 8.12 4.25 0.00 3.02 3.09 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 0.00 0.00 0.00 68 A 7.96 3.78 1.39 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 0.00 0.00 69 T 8.03 3.77 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 1.17 0.00 0.00 70 E 8.47 3.96 0.00 2.20 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 0.00 2.56 2.56 0.00 71 I 7.83 3.62 1.81 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.30 0.84 0.00 0.00 72 A 8.07 3.97 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 73 V 7.97 3.50 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 1.00 0.00 0.00 0.96 0.00 0.00 74 Q 8.21 3.91 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 75 A 7.94 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 76 K 8.13 3.86 0.00 1.81 1.93 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 77 T 8.27 3.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 78 R 8.65 4.08 0.00 1.95 2.08 0.00 3.20 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 79 A 8.33 4.01 1.39 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 0.00 0.00 80 T 7.68 4.74 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 81 E 8.15 4.03 0.00 2.13 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 2.34 2.49 0.00 82 L 7.75 4.41 0.00 1.78 1.71 0.93 0.95 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 83 G 7.27 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 84 V 8.04 3.80 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 0.97 0.00 0.00 0.98 0.00 0.00 85 P 0.00 4.57 0.00 2.33 1.97 0.00 3.68 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 2.13 2.10 0.00 86 A 8.74 4.01 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 87 D 8.02 4.52 0.00 2.79 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 88 K 8.00 4.29 0.00 1.99 1.91 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.53 7.81 89 V 7.42 4.78 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 0.75 0.00 0.00 0.96 0.00 0.00 90 R 8.91 4.41 0.00 1.18 1.41 0.00 3.10 0.00 0.00 2.77 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 91 A 8.25 5.19 1.11 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 0.00 0.00 92 F 9.44 4.88 0.00 2.73 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 93 V 8.48 5.01 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 1.01 0.00 0.00 0.94 0.00 0.00 94 K 8.91 4.73 0.00 1.57 1.51 0.00 1.54 0.00 0.00 1.35 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.26 7.81 95 G 9.16 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.27 3.78 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 0.00 0.00 0.00 97 R 7.92 4.16 0.00 1.84 1.84 0.00 3.12 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 1.65 1.68 0.00 98 P 0.00 4.17 0.00 2.13 2.08 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 99 S 7.99 4.07 0.00 3.85 3.91 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 0.00 100 R 7.91 3.90 0.00 1.86 1.90 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 101 T 8.39 3.91 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 1.13 0.00 0.00 102 I 8.21 3.72 2.07 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 1.51 0.70 0.93 0.00 0.00 103 V 7.89 3.65 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 1.02 0.00 0.00 1.01 0.00 0.00 104 R 8.17 3.87 0.00 2.02 1.95 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 105 F 8.42 4.00 0.00 3.21 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 0.00 106 A 8.32 3.88 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 R 7.69 3.31 0.00 1.66 1.95 0.00 3.04 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 108 K 7.82 3.80 0.00 1.61 1.72 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.55 7.81 109 R 7.41 3.97 0.00 1.02 1.18 0.00 3.38 0.00 0.00 2.94 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.04 0.00 110 E 7.85 3.72 0.00 2.02 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 2.16 2.14 0.00 111 C 8.02 4.28 0.00 2.95 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 0.00 112 D 8.54 4.94 0.00 2.80 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 0.00 113 L 7.54 4.59 0.00 0.91 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.59 4.72 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 0.72 0.00 0.00 0.92 0.00 0.00 115 V 8.95 4.73 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 0.92 0.00 0.00 0.83 0.00 0.00 116 I 8.77 4.66 1.86 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 1.15 1.58 0.94 0.00 0.00 117 G 8.71 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 0.00 118 A 8.72 4.24 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 0.00 119 Q 7.87 5.03 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 120 G 8.20 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 0.00 0.00 0.00 0.00 121 T 8.89 4.01 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 0.00 122 N 7.98 4.88 0.00 2.73 2.87 0.00 0.00 6.89 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.97 3.70 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 0.00 0.00 0.00 124 D 8.76 4.75 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.72 3.85 0.00 1.99 1.94 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.39 7.81 126 S 7.92 4.88 0.00 4.01 3.77 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 0.00 127 L 8.37 4.36 0.00 1.63 1.69 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.65 4.07 0.00 1.64 1.63 0.92 0.99 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 0.00 129 L 8.50 4.10 0.00 1.60 1.58 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.05 3.84 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 0.00 0.00 0.00 131 S 8.58 4.10 0.00 4.06 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 0.00 132 V 7.97 3.85 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 1.47 0.00 0.00 0.93 0.00 0.00 133 A 8.02 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.30 3.89 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 135 R 7.93 3.95 0.00 1.91 1.95 0.00 3.28 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 1.64 1.67 0.00 136 V 8.11 3.55 2.13 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 1.08 0.00 0.00 0.99 0.00 0.00 137 A 8.09 4.07 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 0.00 138 G 7.91 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 0.00 139 S 7.87 4.56 0.00 4.04 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 0.00 140 A 7.51 4.17 1.39 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 0.00 0.00 141 H 8.85 4.41 0.00 3.28 3.41 0.00 5.47 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 C 7.31 4.86 0.00 2.99 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 0.00 143 P 0.00 4.41 0.00 2.11 2.05 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 144 V 8.21 4.71 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 0.76 0.00 0.00 1.01 0.00 0.00 145 L 9.07 4.34 0.00 1.67 1.47 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.32 4.44 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 0.80 0.00 0.00 0.92 0.00 0.00 147 V 8.53 4.04 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 0.78 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.