NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4064 8.3349 115.4132 57.7712 64.5639 172.4793 3 N 4.8791 7.9703 117.4180 52.1279 42.1834 171.7078 4 T 4.5874 8.9698 117.3070 62.6640 71.3797 174.5576 5 L 4.8336 7.9583 117.8247 54.0161 44.6744 176.3416 6 F 4.6673 7.6136 117.7591 57.5367 42.5881 171.9045 7 D 5.1221 7.7591 124.5601 52.2597 44.4161 173.5867 8 D 4.3281 7.4414 123.9449 54.2933 46.1366 174.6893 9 I 5.1875 7.8499 122.1293 59.5437 40.8241 174.9973 10 F 6.0596 9.9336 123.9137 54.8792 43.7197 173.5839 11 Q 5.7213 8.4476 119.7894 53.1245 32.2081 174.1049 12 V 3.9477 8.5624 126.6434 63.2476 31.9019 176.4289 13 S 4.2412 9.3255 125.1920 61.3493 63.4189 174.5410 14 E 4.7207 7.8514 117.5157 54.9905 32.7412 174.2094 15 V 4.5006 8.5120 126.1256 61.2621 33.7279 174.1858 16 D 4.8333 8.8877 126.8490 52.0547 44.0516 172.5443 17 P 5.0352 0.0000 0.0000 60.9239 30.8308 174.8129 18 G 3.6854 8.0353 118.7133 45.2731 0.0000 171.0025 19 R 3.9387 7.9562 120.5501 58.2848 27.7865 177.0138 20 Y 5.1690 7.3962 113.4367 56.0294 38.0704 176.2846 21 N 4.1942 7.9930 119.4505 54.8484 39.7137 175.8789 22 K 4.6849 8.0693 114.2638 55.7932 34.3429 175.8623 23 V 4.8101 8.3412 120.0472 61.7958 34.8836 173.5270 24 C 5.2104 9.0564 123.8432 58.0289 32.8666 172.6292 25 R 4.8335 8.8389 121.9173 55.1285 31.5224 175.2498 26 I 4.9989 9.0595 127.0844 59.7614 40.9105 174.6464 27 E 5.1343 8.6523 122.5429 55.0454 33.5188 174.5865 28 A 5.2556 8.8988 125.4123 50.3416 23.6173 173.5398 29 A 5.1267 8.7794 119.1109 50.4685 23.1967 174.9476 30 S 4.4684 8.1851 112.9691 56.6103 63.4473 175.1976 31 T 4.4901 7.4690 125.5427 61.9801 69.0508 173.5449 32 T 4.3471 7.4225 124.6761 63.7031 76.4400 177.7226 33 Q 4.1473 9.1158 128.8652 56.9999 29.7094 175.8890 34 D 4.8493 8.6727 120.9031 55.0178 40.9546 176.7428 35 Q 4.3814 7.7013 120.0009 57.7860 30.1379 175.6473 36 C 5.1633 8.1618 121.5127 59.7477 31.8602 172.4344 37 K 4.8012 8.5304 125.0410 54.5371 35.2626 175.0176 38 L 5.1025 8.6595 123.1539 53.8163 46.0837 175.4880 39 T 4.6657 8.9978 121.7132 61.8555 72.0959 172.5919 40 L 5.1582 9.0487 128.8938 53.1983 45.6843 175.4466 41 D 5.0964 8.8201 126.0841 54.8307 42.0034 176.0864 42 I 4.5366 9.0215 121.5284 60.0832 42.5473 173.5038 43 N 4.7028 9.5464 126.2734 53.6497 38.6900 175.2110 44 V 4.2519 7.9581 127.9882 63.1641 31.6661 176.7722 45 E 4.5138 8.5735 119.5552 56.0702 31.6414 176.1725 46 L 4.4388 8.4216 117.0108 55.4831 42.8142 177.1081 47 F 4.9135 7.5734 119.2605 55.6402 39.9496 171.3369 48 P 4.2721 0.0000 0.0000 62.7664 32.2367 176.3786 49 V 4.0688 7.8195 117.8776 61.8814 34.2251 173.0936 50 A 4.7404 7.8759 129.2676 49.4486 21.6488 175.5053 51 A 3.7755 8.5200 121.6634 54.0555 18.5804 176.4291 52 Q 3.4649 8.9400 124.1208 56.3474 26.1946 172.5573 53 D 4.8258 8.0172 120.6261 52.9637 46.2031 174.7966 54 S 4.8853 8.5441 116.0242 57.2682 61.8593 172.7867 55 L 4.7564 8.7870 128.0591 55.1800 43.9210 175.7140 56 T 5.0313 8.4399 119.0287 62.0802 70.8709 173.3212 57 V 4.7931 8.8356 127.6280 62.1405 33.4072 175.0216 58 T 5.8570 8.4483 122.2620 61.4329 73.6473 175.2898 59 I 5.1881 8.4334 122.5826 59.6455 37.8728 177.2138 60 A 3.9999 9.4310 134.2854 52.5558 18.4628 178.0787 61 S 4.9959 9.4515 114.6540 53.8143 62.2925 172.8711 62 S 5.3669 7.0699 131.7736 59.3475 62.8557 177.7815 63 L 4.1226 6.6604 135.0000 55.4719 41.0395 177.7199 64 N 4.4652 7.5779 116.0615 53.8744 40.0450 176.7397 65 L 3.6431 7.6438 115.1176 56.0540 39.4600 175.3689 *76 T 4.1259 7.5230 113.4676 63.6659 69.5579 171.0032 77 R 3.8176 8.0065 125.8245 55.0267 30.6738 176.9552 78 S 4.2262 8.6254 115.5355 58.3700 63.3710 173.6383 79 W 4.6435 8.7676 131.6103 56.3658 31.1891 175.8899 80 R 4.1085 7.8465 124.9577 54.2393 31.7571 175.9780 81 P 4.3334 0.0000 0.0000 61.2733 32.4200 175.4283 82 P 4.2296 0.0000 0.0000 64.1223 29.5567 177.1829 83 Q 3.8536 9.7266 121.3174 57.0338 28.1963 175.7230 84 A 4.3040 7.6742 115.5357 52.8388 17.8287 179.1691 85 G 3.7244 8.4445 110.7582 49.2949 0.0000 174.6478 86 D 4.7836 7.9900 115.5933 53.6658 42.0674 174.9907 87 R 4.5360 7.5825 117.6602 53.9297 32.3230 175.8328 88 S 4.2897 8.2231 112.9090 59.8956 63.3169 175.0599 89 L 4.5437 7.8132 117.4178 54.4930 43.7527 176.3155 90 A 4.4176 8.0774 119.6069 52.6381 18.1318 177.5274 91 D 5.0695 8.7771 118.3892 55.2461 39.9624 178.2982 92 D 4.8100 8.4848 116.7075 55.8950 40.3909 175.8025 93 Y 4.9084 8.7737 120.1529 56.9841 40.5724 174.8721 94 D 4.9815 9.0532 119.3325 54.8274 43.5626 175.7661 95 Y 4.4811 7.5954 120.7883 56.6898 41.6959 173.3670 96 V 5.1794 8.6010 126.8307 60.6974 34.0984 174.4365 97 M 4.7095 8.2256 127.2482 54.1733 35.5746 174.3980 98 Y 5.1042 8.4131 120.1855 57.3274 41.1948 173.4753 99 G 3.6214 8.7065 116.7122 45.8295 0.0000 171.1904 100 T 5.0648 9.1219 117.2159 60.5662 73.3681 172.8317 101 A 4.5639 8.4151 124.2450 49.7730 20.5242 175.9156 102 Y 4.4875 8.4471 119.1870 57.8597 39.8154 175.8263 103 K 4.7206 7.1399 120.5998 53.9497 36.0023 174.6737 104 F 5.1756 8.6698 123.1526 55.5105 38.3589 174.5429 105 E 4.1651 8.8332 123.0223 56.2327 31.4835 175.6034 106 E 4.6207 8.6356 124.7829 54.1633 29.9401 176.7463 107 V 3.8047 8.2982 129.1143 62.9875 30.1598 175.4658 108 S 3.4237 8.5628 117.9367 58.8089 64.8597 174.3514 109 K 3.5666 8.1341 118.7632 58.2135 30.8513 177.5546 110 D 4.9145 8.5992 119.1878 53.8728 39.1050 177.5161 111 L 5.0877 7.9090 118.9960 53.0838 45.2407 177.1826 112 I 4.8958 8.2711 124.9550 59.3710 39.4741 174.7457 113 A 5.0908 8.5754 127.9062 49.1919 22.0953 175.0746 114 V 4.2048 7.9498 114.8263 59.6301 34.6760 174.4095 115 Y 4.9118 8.1956 121.5851 56.8934 40.1733 174.3849 116 Y 4.7075 9.0241 119.5692 56.4407 42.9190 174.5968 117 S 4.8754 8.9494 115.7895 57.3044 66.2447 173.3332 118 F 4.5944 9.8561 128.7532 56.1965 38.2484 176.0137 119 G 3.7416 8.9858 114.5915 46.6135 0.0000 171.0123 120 G 3.7560 6.9971 105.6351 44.7371 0.0000 174.2913 121 L 4.7097 8.0625 121.1974 53.1338 43.7031 176.7406 122 L 5.5439 9.8186 125.8057 54.0923 44.0384 175.3401 123 M 5.1254 8.2360 116.2325 55.3357 35.6317 173.1777 124 R 4.7213 9.0934 124.2194 54.5105 33.9723 173.3770 125 L 5.0749 8.3055 127.7424 53.1613 45.4929 174.5633 126 E 4.7808 8.8097 124.9759 53.1108 33.3855 173.5913 127 G 4.1566 7.8185 117.4568 45.8145 0.0000 173.8704 128 N 4.8642 8.1369 132.0662 53.6338 40.2464 173.2951 129 Y 4.7826 6.9897 113.8415 57.6354 38.6325 176.1300 130 R 4.7728 7.4142 119.1565 56.3177 30.6745 178.2636 131 N 4.4285 8.4357 117.0540 55.8434 38.9372 176.5145 132 L 4.8066 7.9744 114.3613 54.4856 42.7379 175.8006 133 N 4.7380 8.1775 114.7853 54.9423 40.3464 175.2194 134 N 4.5811 7.8350 121.0748 52.7516 37.8380 174.6344 135 L 4.4072 8.3423 126.3893 54.7245 42.4466 176.9722 136 K 4.7320 8.3083 115.8399 56.5650 33.5208 176.3993 137 Q 4.2911 7.8863 117.9485 55.3492 29.3490 175.9776 138 E 3.9927 8.8181 118.7462 59.5121 29.9107 175.8733 139 N 4.4317 7.7847 113.4991 53.5868 38.9134 174.8551 140 A 4.9707 8.1393 120.3498 52.0293 20.8227 174.0879 141 Y 4.5875 8.6256 120.1513 57.3274 39.8358 174.8473 142 L 5.1133 8.9791 125.1690 53.3970 45.2372 175.0630 143 L 5.1907 8.1720 122.9414 53.2407 46.4470 175.4888 144 I 5.7973 8.5350 120.5551 59.5410 41.5543 174.3776 145 R 4.8686 8.2903 120.5568 55.5732 33.3951 175.3740 146 R 4.3134 8.5107 118.4636 56.9670 30.5837 176.2964 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 2 S 8.33 4.41 0.00 3.99 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 3 N 7.97 4.88 0.00 2.78 2.77 0.00 0.00 7.02 6.65 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 4 T 8.97 4.59 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 1.26 0.00 0.00 5 L 7.96 4.83 0.00 1.75 1.73 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.61 4.67 0.00 3.12 2.89 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 7 D 7.76 5.12 0.00 2.56 2.29 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 8 D 7.44 4.33 0.00 2.51 2.37 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 9 I 7.85 5.19 1.81 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 1.26 1.09 1.02 0.00 0.00 10 F 9.93 6.06 0.00 2.91 3.08 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 11 Q 8.45 5.72 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 12 V 8.56 3.95 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 1.07 0.00 0.00 0.98 0.00 0.00 13 S 9.33 4.24 0.00 3.89 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 14 E 7.85 4.72 0.00 2.03 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 0.00 2.23 2.25 0.00 15 V 8.51 4.50 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 0.84 0.00 0.00 1.01 0.00 0.00 16 D 8.89 4.83 0.00 2.83 2.60 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 17 P 0.00 5.04 0.00 2.11 2.06 0.00 3.82 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 1.88 1.94 0.00 18 G 8.04 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 19 R 7.96 3.94 0.00 1.81 2.07 0.00 3.07 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 20 Y 7.40 5.17 0.00 3.01 2.83 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 21 N 7.99 4.19 0.00 2.74 2.92 0.00 0.00 7.02 7.61 0.00 0.00 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 K 8.07 4.68 0.00 1.63 1.74 0.00 1.63 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.39 7.81 23 V 8.34 4.81 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 0.78 0.00 0.00 0.90 0.00 0.00 24 C 9.06 5.21 0.00 2.95 2.89 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 25 R 8.84 4.83 0.00 2.10 1.83 0.00 3.09 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 26 I 9.06 5.00 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.91 0.00 0.00 27 E 8.65 5.13 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 28 A 8.90 5.26 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 29 A 8.78 5.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.19 4.47 0.00 3.69 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 31 T 7.47 4.49 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 1.18 0.00 0.00 32 T 7.42 4.35 4.14 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 1.11 0.00 0.00 33 Q 9.12 4.15 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.13 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 34 D 8.67 4.85 0.00 2.68 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 35 Q 7.70 4.38 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 36 C 8.16 5.16 0.00 3.17 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 37 K 8.53 4.80 0.00 1.74 1.70 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.68 7.81 38 L 8.66 5.10 0.00 1.40 1.17 0.69 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.00 4.67 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 1.28 0.00 0.00 40 L 9.05 5.16 0.00 1.56 1.33 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.82 5.10 0.00 2.72 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 42 I 9.02 4.54 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.27 1.31 0.00 0.00 43 N 9.55 4.70 0.00 2.83 2.70 0.00 0.00 6.50 7.33 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 44 V 7.96 4.25 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 0.77 0.00 0.00 1.08 0.00 0.00 45 E 8.57 4.51 0.00 1.91 2.01 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 2.19 2.22 0.00 46 L 8.42 4.44 0.00 1.45 1.60 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.57 4.91 0.00 2.72 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 48 P 0.00 4.27 0.00 1.93 1.91 0.00 3.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 49 V 7.82 4.07 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 0.72 0.00 0.00 0.78 0.00 0.00 50 A 7.88 4.74 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 51 A 8.52 3.78 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 52 Q 8.94 3.46 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 8.02 4.83 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.89 0.00 3.90 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 55 L 8.79 4.76 0.00 1.81 1.74 1.04 0.97 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 56 T 8.44 5.03 4.37 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 1.33 0.00 0.00 57 V 8.84 4.79 2.56 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 0.96 0.00 0.00 0.69 0.00 0.00 58 T 8.45 5.86 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 1.33 0.00 0.00 59 I 8.43 5.19 1.96 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.95 0.00 0.00 60 A 9.43 4.00 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 61 S 9.45 5.00 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.07 5.37 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 6.66 4.12 0.00 1.35 1.56 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.58 4.47 0.00 2.64 2.77 0.00 0.00 7.28 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 65 L 7.64 3.64 0.00 1.80 1.83 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.52 4.13 4.40 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 1.31 0.00 0.00 77 R 8.01 3.82 0.00 2.02 1.97 0.00 3.28 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 S 8.63 4.23 0.00 4.07 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 79 W 8.77 4.64 0.00 3.35 3.24 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 0.00 80 R 7.85 4.11 0.00 1.57 1.57 0.00 3.19 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 81 P 0.00 4.33 0.00 1.85 1.26 0.00 3.38 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 1.86 1.66 0.00 82 P 0.00 4.23 0.00 2.15 1.63 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 83 Q 9.73 3.85 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.17 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 7.67 4.30 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 85 G 8.44 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 86 D 7.99 4.78 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.58 4.54 0.00 1.82 1.85 0.00 3.21 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 88 S 8.22 4.29 0.00 4.01 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 89 L 7.81 4.54 0.00 1.70 1.95 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.08 4.42 1.22 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 0.00 0.00 0.00 91 D 8.78 5.07 0.00 2.88 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 92 D 8.48 4.81 0.00 2.62 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 93 Y 8.77 4.91 0.00 2.77 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 9.05 4.98 0.00 2.49 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 95 Y 7.60 4.48 0.00 2.04 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 0.00 0.00 0.00 0.00 96 V 8.60 5.18 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 1.15 0.00 0.00 0.96 0.00 0.00 97 M 8.23 4.71 0.00 1.49 0.96 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 98 Y 8.41 5.10 0.00 2.24 2.60 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 99 G 8.71 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.12 5.06 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 1.13 0.00 0.00 101 A 8.42 4.56 0.35 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 0.00 102 Y 8.45 4.49 0.00 3.04 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 0.00 103 K 7.14 4.72 0.00 1.73 1.46 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.47 7.81 104 F 8.67 5.18 0.00 2.82 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 0.00 105 E 8.83 4.17 0.00 2.27 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 0.00 2.36 2.37 0.00 106 E 8.64 4.62 0.00 1.90 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 2.24 2.31 0.00 107 V 8.30 3.80 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 0.77 0.00 0.00 0.94 0.00 0.00 108 S 8.56 3.42 0.00 4.15 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 0.00 109 K 8.13 3.57 0.00 1.90 1.48 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 8.60 4.91 0.00 2.77 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 0.00 111 L 7.91 5.09 0.00 2.04 1.59 0.98 0.75 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 0.00 112 I 8.27 4.90 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.93 0.00 0.00 113 A 8.58 5.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.95 4.20 1.49 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 -0.40 0.00 0.00 0.71 0.00 0.00 115 Y 8.20 4.91 0.00 2.01 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 0.00 0.00 0.00 0.00 116 Y 9.02 4.71 0.00 2.77 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.95 4.88 0.00 3.85 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.86 4.59 0.00 3.05 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 0.00 119 G 8.99 3.74 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 0.00 0.00 0.00 120 G 7.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.71 0.00 1.88 1.75 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.82 5.54 0.00 1.80 1.81 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.24 5.13 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 124 R 9.09 4.72 0.00 1.61 1.53 0.00 2.91 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 0.00 125 L 8.31 5.07 0.00 1.46 1.13 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.81 4.78 0.00 1.98 1.67 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 2.14 2.14 0.00 127 G 7.82 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.14 4.86 0.00 2.78 2.85 0.00 0.00 6.74 7.54 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 0.00 129 Y 6.99 4.78 0.00 3.15 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 0.00 130 R 7.41 4.77 0.00 1.95 2.10 0.00 2.95 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 131 N 8.44 4.43 0.00 2.77 2.93 0.00 0.00 6.98 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 0.00 132 L 7.97 4.81 0.00 1.65 1.68 0.95 0.98 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 0.00 133 N 8.18 4.74 0.00 2.81 3.13 0.00 0.00 7.02 8.00 0.00 0.00 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 N 7.83 4.58 0.00 2.72 2.93 0.00 0.00 7.37 9.04 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 0.00 135 L 8.34 4.41 0.00 1.80 1.73 0.99 0.94 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 0.00 136 K 8.31 4.73 0.00 1.52 1.37 0.00 1.49 0.00 0.00 1.15 0.00 0.00 2.53 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.39 1.20 7.81 137 Q 7.89 4.29 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 138 E 8.82 3.99 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 139 N 7.78 4.43 0.00 2.88 2.93 0.00 0.00 6.71 7.35 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 0.00 140 A 8.14 4.97 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 0.00 141 Y 8.63 4.59 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.98 5.11 0.00 1.67 1.03 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.17 5.19 0.00 0.83 0.44 0.83 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.54 5.80 1.47 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.15 0.85 0.00 0.00 145 R 8.29 4.87 0.00 1.79 1.98 0.00 2.82 0.00 0.00 2.71 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 146 R 8.51 4.31 0.00 2.20 2.08 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.