NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7216 8.2014 109.7348 45.3451 0.0000 173.1236 *27 G 4.0837 8.3518 113.8830 44.4527 0.0000 171.8423 28 T 3.8122 8.1609 109.5631 61.2728 69.0904 174.0564 29 K 4.0526 8.4548 126.2424 56.0776 32.2972 176.2958 30 T 4.1722 8.3737 124.2936 62.5746 69.1523 175.4740 31 A 3.9798 8.8726 129.1039 55.4243 18.1140 179.0559 32 A 3.9835 7.9003 117.5412 55.1275 18.4898 179.0396 33 E 4.0043 7.9559 117.2219 59.2838 29.8425 178.4229 34 A 4.1764 7.9056 118.6561 53.0671 19.2931 177.6705 35 A 3.9938 7.5049 120.2599 51.7818 19.0248 177.4261 36 A 4.1780 8.3922 124.5771 51.5039 19.1212 175.7352 37 P 4.6763 0.0000 0.0000 63.4029 32.4989 175.6119 38 A 4.8353 8.7420 122.6094 50.5041 23.0885 174.3877 39 V 4.7924 8.1755 115.3782 61.4202 34.4633 175.4077 40 H 4.5031 9.2706 128.7874 55.3721 30.3315 174.4790 41 P 4.3619 0.0000 0.0000 64.9546 31.9407 177.6987 42 V 3.9360 8.0176 118.3702 65.0855 31.8589 176.8547 43 S 4.3186 8.2198 111.4886 58.1019 63.5939 175.1316 44 G 3.9211 8.2002 108.0372 45.6905 0.0000 173.7827 45 L 4.2750 7.6864 120.1294 54.0569 43.1113 176.4478 46 Q 4.4993 8.6799 122.8585 56.5929 30.6699 174.7161 47 I 4.9512 8.8762 126.5846 59.7795 39.5745 175.1326 48 V 4.9872 8.7833 120.0526 58.5615 35.8866 173.2112 49 P 4.9119 0.0000 0.0000 62.8496 32.2642 175.6410 50 V 4.9528 9.0167 123.3091 61.2996 34.7090 174.1550 51 T 5.2939 9.0813 117.4221 59.9567 72.1457 173.1284 52 V 4.9425 8.9571 122.9951 61.6892 34.7484 174.3040 53 T 5.0863 8.9489 124.3821 62.2296 72.2809 173.6024 54 G 4.2793 8.6025 113.4994 46.7356 0.0000 174.0668 55 T 3.8564 8.8338 116.0779 66.7096 68.5930 175.5872 56 S 4.2704 7.9544 114.0197 58.7296 64.0999 172.9224 57 G 3.8300 7.6281 107.0540 43.8626 0.0000 171.8844 58 R 4.9295 8.3945 121.2351 54.8478 32.3954 175.9782 59 H 4.9482 9.2948 123.3628 53.9063 32.3665 173.1560 60 V 4.7160 7.7070 120.2149 61.1098 34.4441 174.4958 61 F 5.0380 9.1941 126.1342 55.6463 42.7520 174.4456 62 R 4.5296 9.2818 123.9195 56.0888 30.8918 175.6239 63 S 5.7411 8.9225 121.1674 55.3773 65.8782 174.0083 64 E 4.3916 8.9146 124.3295 56.5951 30.1345 176.1701 65 L 4.5639 8.5699 126.3024 53.5676 43.4214 175.2994 66 A 4.4200 8.6174 129.9596 50.6701 20.1836 176.2136 67 R 4.2785 9.0446 122.2454 58.0422 32.1319 177.1914 68 T 4.1679 7.8301 107.5437 61.3805 70.8766 175.0864 69 S 4.0902 8.6256 117.7766 61.8825 62.9083 176.9660 70 A 4.0396 7.9278 122.9078 55.0805 18.2267 179.3072 71 E 3.9238 8.4066 117.2857 59.8165 29.3218 179.7016 72 Q 4.3374 8.2324 116.8729 58.7822 28.8497 178.2248 73 A 4.1391 7.9658 121.2688 54.5795 18.4432 179.1817 74 K 4.1246 8.1227 117.8777 57.8564 32.8703 178.8972 75 G 3.8808 8.3901 108.0499 46.9502 0.0000 174.2391 76 L 4.4432 8.3813 123.9371 53.0613 42.7702 177.0476 *78 F 4.9390 8.5078 121.5403 56.9578 40.9138 175.6581 79 R 4.1389 7.7425 120.8004 56.4396 30.1549 176.6015 80 T 4.4766 8.4323 111.5010 61.5487 69.8176 173.9349 81 E 4.7235 7.6271 118.4882 55.6092 32.2630 174.1879 82 L 4.3260 8.0202 119.7275 54.2067 45.2768 175.0624 83 G 4.1124 9.0924 115.0118 44.3088 0.0000 174.4364 84 D 4.5103 8.6122 120.3239 56.5917 41.0597 177.4599 85 E 4.2549 8.2259 115.6199 56.8452 30.2953 175.2599 86 E 5.1024 7.8051 118.8123 54.0610 33.1643 177.2549 87 G 3.7811 8.6040 113.2435 47.1084 0.0000 175.6181 *89 I 4.4217 8.4048 126.5648 60.5207 39.4612 172.6361 90 F 5.1843 9.3931 128.4657 55.9354 40.9729 174.3862 91 L 4.8367 8.4288 124.6764 52.8797 43.2673 176.3838 92 R 4.7151 8.6195 123.0095 54.3303 32.7924 175.4217 93 N 4.7370 8.6025 122.3442 51.6116 41.1765 172.2220 94 P 4.4672 0.0000 0.0000 62.1763 32.9027 174.7737 95 P 4.9544 0.0000 0.0000 61.5255 32.1153 176.9788 96 D 4.5214 8.0184 122.5506 55.6425 40.4315 179.7705 *98 A 4.2672 8.9559 127.5625 52.9370 20.7830 177.0594 99 T 5.1029 8.2926 115.7704 61.9753 72.1031 173.5492 100 F 4.8140 9.4182 124.8397 54.8987 42.4737 175.0577 101 W 4.9781 8.6655 120.4566 55.9250 30.3550 175.8361 *103 R 3.4231 8.5379 116.1586 56.8270 29.8637 174.9506 104 N 4.2222 8.6589 119.5691 54.0890 36.7062 173.6069 105 T 4.1618 6.8612 114.9815 61.9707 69.4910 175.7390 106 V 3.3743 8.1279 126.5139 63.5757 32.3078 175.5626 107 I 4.6165 7.1491 112.2322 57.9772 39.5339 174.1064 108 P 4.6020 0.0000 0.0000 63.1041 32.2578 175.3799 109 L 5.0253 8.3058 120.2333 53.3254 46.6951 174.8209 110 D 5.1572 8.8587 121.7462 52.9358 43.1800 175.5526 111 I 3.8985 8.4676 124.6717 59.5800 39.3864 174.7973 112 I 4.4280 8.1071 129.8228 59.5848 38.6250 174.9421 113 F 4.8214 8.9108 127.1529 56.0564 40.9381 175.1821 114 V 4.6729 8.9400 124.1526 61.2298 34.1649 176.1391 115 G 4.1980 8.9643 117.6020 44.5100 0.0000 173.8531 116 L 4.1987 8.4413 118.1162 56.9211 41.7430 177.6636 117 D 4.6815 8.1255 116.9192 52.6634 39.6959 176.3820 118 R 4.0533 8.2057 117.0206 57.6594 28.3041 175.7012 119 R 5.0420 7.8352 116.1430 54.1403 32.4837 176.1992 120 V 4.6166 8.5972 121.6852 62.4173 33.2400 174.2372 *122 N 4.8734 8.4583 119.1232 52.8105 38.9905 173.1924 123 I 4.9492 8.2357 119.0807 59.7128 40.6631 175.6950 124 A 4.5465 9.2092 129.7431 50.6974 18.6453 175.6727 125 A 4.3986 8.3636 122.1593 52.5017 19.8314 176.7120 126 N 4.0231 9.4194 117.2240 53.4915 36.9100 175.1073 127 A 3.9856 7.8212 119.8217 52.7183 19.4452 177.4346 128 V 4.2221 8.1055 121.2444 60.1709 33.0494 173.4668 129 P 4.1266 0.0000 0.0000 64.6507 31.4097 176.3103 130 Y 3.5769 7.6447 118.3040 58.0723 36.7077 169.1221 131 D 4.4665 7.8831 120.6187 54.2059 41.4613 175.6441 132 E 4.5514 8.7313 125.0450 56.7384 30.1096 176.7862 133 T 4.0271 8.1695 117.3963 63.1139 68.9628 172.2662 134 P 4.6724 0.0000 0.0000 62.9906 32.5665 176.2449 135 L 4.8195 9.1307 122.7622 52.4536 43.5369 173.5316 136 P 4.9537 0.0000 0.0000 61.3961 32.7181 176.0146 137 A 2.9660 8.3174 123.8342 51.2824 19.1336 178.6373 138 A 3.8616 8.7510 121.7994 53.6794 18.9840 178.0145 139 G 3.8775 6.8651 101.4568 45.1376 0.0000 170.3131 140 P 4.1201 0.0000 0.0000 63.6268 31.3307 175.6945 141 T 4.6686 8.3489 119.5715 61.6442 70.0781 174.6091 142 L 4.2461 8.8858 130.2404 57.8285 43.3110 176.3854 143 A 5.1056 7.7735 117.8671 50.6981 23.0842 175.1610 144 V 4.5947 8.6412 118.3713 60.8975 35.3071 173.9640 145 L 4.9066 8.6317 129.4542 53.2904 44.2510 174.5108 146 E 5.0406 8.7258 125.8590 54.6957 31.9438 175.0825 147 I 4.4925 8.0735 116.6833 58.5213 42.1243 174.1234 148 N 4.5671 8.7177 119.0233 53.0990 39.5157 175.3813 149 G 3.8379 8.5312 111.3158 47.3518 0.0000 174.1000 150 G 3.9671 9.3276 111.5826 45.8137 0.0000 175.1821 151 L 3.9898 7.9590 121.3169 57.7985 42.0029 178.4881 152 A 3.9498 8.6345 121.1039 55.2435 17.8304 179.5482 153 A 3.9699 7.9038 118.7346 55.1470 18.3117 179.5613 154 R 3.8871 7.6629 116.0289 59.5816 30.2186 178.3398 155 L 4.2998 8.0187 117.5043 55.3510 41.7704 178.0876 156 G 3.9413 7.4716 105.0435 45.3911 0.0000 173.4050 157 I 4.0998 7.5375 120.5573 61.0406 37.7152 175.8123 158 K 4.7250 9.1364 123.2335 53.5760 36.1758 174.0993 159 P 4.5498 0.0000 0.0000 64.7475 31.6342 176.6285 160 G 4.0758 9.1028 111.0090 45.3525 0.0000 173.9007 161 D 4.6554 7.9446 119.5422 54.2340 42.3173 175.3934 162 K 4.6444 8.9991 123.7666 55.5992 33.7009 175.3453 163 V 5.0183 8.9333 128.0375 61.3447 33.3911 174.6345 164 E 4.5893 9.3834 126.6823 54.2421 33.8428 176.0892 165 W 4.7785 7.6045 118.6423 56.9283 28.1881 174.5978 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 0 G 8.20 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 *27 G 8.35 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 28 T 8.16 3.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 29 K 8.45 4.05 0.00 1.73 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 30 T 8.37 4.17 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 1.16 0.00 0.00 31 A 8.87 3.98 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 32 A 7.90 3.98 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 33 E 7.96 4.00 0.00 1.98 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 2.32 2.33 0.00 34 A 7.91 4.18 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 35 A 7.50 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 36 A 8.39 4.18 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 37 P 0.00 4.68 0.00 1.96 2.20 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 38 A 8.74 4.84 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 39 V 8.18 4.79 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 0.86 0.00 0.00 0.94 0.00 0.00 40 H 9.27 4.50 0.00 3.23 3.14 0.00 5.64 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 41 P 0.00 4.36 0.00 2.19 2.13 0.00 3.34 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 42 V 8.02 3.94 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 0.89 0.00 0.00 0.99 0.00 0.00 43 S 8.22 4.32 0.00 3.97 3.93 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 0.00 44 G 8.20 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 45 L 7.69 4.28 0.00 1.58 1.54 0.80 0.60 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 46 Q 8.68 4.50 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 47 I 8.88 4.95 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.94 0.00 0.00 48 V 8.78 4.99 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 0.83 0.00 0.00 0.99 0.00 0.00 49 P 0.00 4.91 0.00 2.12 2.28 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 50 V 9.02 4.95 2.28 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 1.34 0.00 0.00 1.10 0.00 0.00 51 T 9.08 5.29 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 1.27 0.00 0.00 52 V 8.96 4.94 2.33 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 1.14 0.00 0.00 1.15 0.00 0.00 53 T 8.95 5.09 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 54 G 8.60 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 0.00 0.00 0.00 0.00 55 T 8.83 3.86 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 1.22 0.00 0.00 56 S 7.95 4.27 0.00 4.16 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 57 G 7.63 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.39 4.93 0.00 1.75 1.73 0.00 3.16 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 59 H 9.29 4.95 0.00 3.13 2.92 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.71 4.72 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 0.81 0.00 0.00 0.86 0.00 0.00 61 F 9.19 5.04 0.00 3.00 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 62 R 9.28 4.53 0.00 1.76 1.93 0.00 3.25 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 63 S 8.92 5.74 0.00 3.74 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.91 4.39 0.00 1.72 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 2.24 2.28 0.00 65 L 8.57 4.56 0.00 1.58 1.52 0.92 1.03 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 66 A 8.62 4.42 0.76 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 67 R 9.04 4.28 0.00 1.71 1.89 0.00 3.27 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 68 T 7.83 4.17 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 1.25 0.00 0.00 69 S 8.63 4.09 0.00 3.88 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 70 A 7.93 4.04 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 71 E 8.41 3.92 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 72 Q 8.23 4.34 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 73 A 7.97 4.14 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 74 K 8.12 4.12 0.00 1.86 2.01 0.00 2.04 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.51 1.56 7.81 75 G 8.39 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.38 4.44 0.00 1.72 1.57 0.95 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 *78 F 8.51 4.94 0.00 3.12 3.12 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 79 R 7.74 4.14 0.00 1.83 1.88 0.00 3.33 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 80 T 8.43 4.48 4.27 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 1.31 0.00 0.00 81 E 7.63 4.72 0.00 2.06 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 2.20 2.31 0.00 82 L 8.02 4.33 0.00 1.56 1.70 0.93 1.04 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 83 G 9.09 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 0.00 0.00 0.00 84 D 8.61 4.51 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.25 0.00 2.10 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 0.00 2.37 2.28 0.00 86 E 7.81 5.10 0.00 2.04 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 2.28 2.27 0.00 87 G 8.60 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 *89 I 8.40 4.42 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.96 0.84 0.00 0.00 90 F 9.39 5.18 0.00 2.87 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 91 L 8.43 4.84 0.00 1.44 1.50 0.80 -0.29 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 92 R 8.62 4.72 0.00 1.96 1.85 0.00 3.30 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 93 N 8.60 4.74 0.00 2.68 2.69 0.00 0.00 7.18 7.69 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 94 P 0.00 4.47 0.00 2.35 2.05 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 95 P 0.00 4.95 0.00 2.29 2.32 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 96 D 8.02 4.52 0.00 2.69 2.15 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 *98 A 8.96 4.27 1.56 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 99 T 8.29 5.10 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 1.24 0.00 0.00 100 F 9.42 4.81 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.67 4.98 0.00 3.41 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 3.42 0.00 0.67 0.66 0.00 2.96 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.25 0.00 104 N 8.66 4.22 0.00 2.37 1.89 0.00 0.00 6.98 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 0.00 105 T 6.86 4.16 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 1.12 0.00 0.00 106 V 8.13 3.37 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 0.88 0.00 0.00 1.00 0.00 0.00 107 I 7.15 4.62 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.93 0.00 0.00 108 P 0.00 4.60 0.00 2.06 2.05 0.00 3.67 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 1.95 1.97 0.00 109 L 8.31 5.03 0.00 1.44 1.41 0.90 0.97 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 0.00 110 D 8.86 5.16 0.00 2.44 2.45 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 0.00 111 I 8.47 3.90 1.42 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.51 -0.53 0.00 0.00 112 I 8.11 4.43 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.59 0.86 0.00 0.00 113 F 8.91 4.82 0.00 3.14 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 0.00 114 V 8.94 4.67 2.31 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 1.20 0.00 0.00 1.00 0.00 0.00 115 G 8.96 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 0.00 116 L 8.44 4.20 0.00 1.67 1.78 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.13 4.68 0.00 2.79 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 0.00 118 R 8.21 4.05 0.00 2.01 2.22 0.00 2.70 0.00 0.00 2.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 119 R 7.84 5.04 0.00 2.05 1.84 0.00 3.29 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 120 V 8.60 4.62 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 0.99 0.00 0.00 1.01 0.00 0.00 *122 N 8.46 4.87 0.00 2.86 2.98 0.00 0.00 5.69 7.68 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 0.00 123 I 8.24 4.95 1.88 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 0.70 0.93 0.00 0.00 124 A 9.21 4.55 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 0.00 125 A 8.36 4.40 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 0.00 126 N 9.42 4.02 0.00 2.78 2.88 0.00 0.00 6.92 7.38 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 0.00 127 A 7.82 3.99 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 0.00 128 V 8.11 4.22 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 1.02 0.00 0.00 0.93 0.00 0.00 129 P 0.00 4.13 0.00 1.95 1.60 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 130 Y 7.64 3.58 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.88 4.47 0.00 2.67 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 0.00 132 E 8.73 4.55 0.00 2.12 2.34 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 1.84 2.38 0.00 133 T 8.17 4.03 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 134 P 0.00 4.67 0.00 2.07 2.02 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 135 L 9.13 4.82 0.00 1.81 1.81 1.01 1.26 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 0.00 136 P 0.00 4.95 0.00 1.92 1.95 0.00 3.75 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 1.85 1.91 0.00 137 A 8.32 2.97 1.03 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 0.00 138 A 8.75 3.86 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 0.00 139 G 6.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.12 0.00 2.06 2.16 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 141 T 8.35 4.67 4.47 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 1.48 0.00 0.00 142 L 8.89 4.25 0.00 1.92 2.07 1.08 0.88 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 0.00 143 A 7.77 5.11 0.74 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 0.00 144 V 8.64 4.59 1.66 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 -0.27 0.00 0.00 0.88 0.00 0.00 145 L 8.63 4.91 0.00 1.65 1.31 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.73 5.04 0.00 2.00 1.76 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 1.98 2.04 0.00 147 I 8.07 4.49 1.58 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.97 -0.12 0.00 0.00 148 N 8.72 4.57 0.00 2.67 2.78 0.00 0.00 6.67 7.58 0.00 0.00 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 G 8.53 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 0.00 150 G 9.33 3.97 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 0.00 0.00 0.00 151 L 7.96 3.99 0.00 1.85 1.76 0.97 0.94 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 0.00 152 A 8.63 3.95 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 0.00 153 A 7.90 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 0.00 154 R 7.66 3.89 0.00 1.84 2.14 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 155 L 8.02 4.30 0.00 1.77 1.44 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.47 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.54 4.10 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 0.93 0.00 0.00 158 K 9.14 4.72 0.00 1.77 1.64 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.56 7.81 159 P 0.00 4.55 0.00 2.05 2.03 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 160 G 9.10 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 0.00 161 D 7.94 4.66 0.00 2.75 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 0.00 162 K 9.00 4.64 0.00 1.88 1.69 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 163 V 8.93 5.02 2.38 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 1.22 0.00 0.00 1.05 0.00 0.00 164 E 9.38 4.59 0.00 1.86 1.64 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 2.15 2.30 0.00 165 W 7.60 4.78 0.00 3.35 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 * Residues marked with a * may have inaccurate shift predictions.