NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.6518 8.3493 120.5319 53.8428 43.2870 176.4863 9 D 4.5616 7.8211 118.2935 54.2107 40.2569 177.0404 10 L 4.0135 8.5975 121.5810 57.7651 42.1590 180.1275 11 E 4.1426 8.2480 117.6623 58.8922 29.5451 178.9579 12 Q 4.1012 7.9728 118.0533 58.6450 29.0197 177.4664 13 Y 4.0652 8.1060 120.8235 60.4776 38.7296 178.0902 14 L 3.8638 7.9407 119.7947 57.8029 41.7930 178.8046 15 D 4.4698 7.7913 118.3764 57.7722 40.8768 178.9185 16 E 3.9737 8.1418 119.2808 59.0108 29.4206 178.7807 17 K 3.7743 7.5972 119.7449 59.4144 32.1885 178.9922 18 I 3.7073 7.8847 120.3262 64.1882 37.0194 178.4305 19 L 3.9678 8.3599 120.3896 57.6807 41.2976 179.7360 20 R 3.9250 8.0293 118.2690 58.9571 29.7171 178.8239 21 L 3.8745 7.4572 119.4481 57.6920 42.1339 178.4517 22 K 3.9077 7.8334 118.7615 59.7291 32.3529 178.0477 23 D 4.5696 8.0716 118.8190 57.3040 40.7051 180.0001 24 E 4.2874 8.2540 117.7723 56.7692 29.5101 178.8238 *26 N 4.8011 8.1833 118.5708 53.5868 40.9054 177.0902 27 I 3.7386 8.1844 118.8058 64.3306 37.1019 178.3058 28 A 3.9736 8.3942 121.5231 55.0993 18.1384 179.5887 29 A 3.7525 8.0749 118.8341 55.1594 18.5819 179.4962 30 Q 3.8709 8.2231 118.0672 59.2824 29.1364 178.2752 31 L 3.9788 8.1491 120.2787 58.1142 41.6071 179.3540 32 D 4.2941 8.1820 118.6268 57.3641 40.6315 178.8694 33 I 3.6660 7.9283 120.4213 64.4207 37.0962 178.1348 34 D 4.3371 8.1692 119.6132 57.7498 40.6951 179.0366 35 T 3.8494 8.0400 116.1965 66.3850 68.3518 176.3439 36 L 3.8877 8.1447 122.4797 58.3976 42.1526 178.6600 37 N 4.2689 8.3067 116.4502 56.2420 38.4046 177.2812 38 K 3.8882 8.1543 120.8100 59.5752 32.3380 178.7399 39 R 3.9007 8.4481 119.3253 59.4637 29.6679 178.5695 40 I 3.6559 7.7760 118.7984 64.4721 37.2914 177.7653 41 E 4.1121 8.4081 118.6406 59.4619 29.4782 179.0011 42 T 4.3343 8.2756 107.4652 61.0713 69.4735 175.5975 43 G 3.7760 7.7223 108.9757 46.1438 0.0000 173.0503 44 D 4.5463 7.7680 120.3156 53.2268 40.5278 176.6805 45 T 4.3880 8.3657 116.5864 62.0794 69.2293 175.5918 46 S 4.3157 8.5013 116.9957 59.4625 63.6484 174.0598 47 L 4.3689 7.5104 122.2290 53.8057 41.9131 176.0030 48 I 4.5312 7.9711 122.7180 58.8174 41.1093 174.5186 49 A 4.0921 8.3026 129.5645 52.3304 19.4710 177.3122 *51 Q 4.3894 8.5662 118.0111 56.0570 30.9449 178.1768 52 K 3.3802 8.1702 117.1473 59.5498 31.6338 179.8512 53 V 3.6206 7.4696 110.5101 64.2932 31.5238 178.3628 54 K 4.1464 7.9055 117.2415 59.0450 32.2663 178.4298 55 L 4.2824 7.9601 119.8353 56.7209 42.0154 178.1881 56 L 4.2016 8.1030 121.0612 58.1971 41.9404 176.9102 57 P 4.2527 0.0000 0.0000 65.7794 31.2063 178.4340 58 K 3.9615 8.0257 117.7055 59.2978 32.1383 178.9476 59 V 3.4292 7.5603 118.2273 65.8589 31.5611 178.1202 60 V 3.5181 8.0260 118.3005 66.0104 31.1420 177.5550 61 S 4.0419 7.8597 111.4475 61.5632 62.4871 175.9727 62 V 3.7016 7.8550 120.4990 66.2076 31.1257 178.1038 63 L 4.0388 8.0351 117.3247 57.0836 41.4705 178.8171 64 S 4.5864 7.6026 112.2223 58.1541 63.6277 174.2266 65 K 4.1717 7.6755 123.7253 55.3629 32.2684 177.1283 66 A 3.9467 8.8922 128.4525 55.3600 18.2528 178.3265 67 N 4.6863 8.0624 109.1073 53.6826 37.8165 175.9212 68 L 4.4051 7.9922 119.0806 54.9310 42.1395 177.8934 69 A 3.9189 7.6914 121.9439 55.3877 18.3095 179.2209 70 D 4.2645 8.0605 116.5350 58.0285 40.9746 179.2464 71 T 3.8258 7.7896 115.3945 66.5319 68.3644 176.5011 72 I 3.5986 7.9502 122.0299 64.5576 36.6683 178.5684 73 L 3.8331 8.1914 119.9731 57.8553 41.2175 179.3751 74 D 4.4663 8.5512 118.1442 56.6404 40.7250 177.4749 75 N 4.7018 7.8804 114.7987 51.8374 39.1202 174.2447 76 N 4.1106 7.8938 117.0453 54.2297 38.3785 176.0868 77 L 3.9013 7.4999 119.7747 57.6816 42.0379 177.6533 78 L 3.9055 7.7901 118.2516 57.0926 41.4331 178.9829 79 Q 4.1459 7.6958 121.4509 58.8587 29.0105 178.4730 80 S 4.0830 7.8479 115.6463 61.3715 62.9527 176.6165 81 V 3.2374 7.3866 120.5838 65.8823 31.2305 178.0825 82 R 3.8802 8.2879 118.8315 59.4572 29.6741 178.5344 83 I 3.9467 7.5777 118.7354 64.2803 37.1757 178.0684 84 W 4.4169 8.1998 118.9094 59.6715 28.9440 177.9890 85 L 4.4457 7.7203 117.4538 55.6497 41.7588 177.5048 86 E 4.2076 7.6884 116.7954 55.2241 30.1584 175.1333 87 P 4.4979 0.0000 0.0000 62.5460 32.2244 176.0599 88 L 4.3606 8.3167 120.4362 53.2576 42.6104 176.4275 89 P 4.2472 0.0000 0.0000 65.8488 31.1592 177.5984 90 D 4.4582 7.9823 114.7320 54.0407 39.5272 176.9685 91 G 4.0234 8.4269 109.7622 45.2186 0.0000 174.1699 92 S 4.4458 8.4361 114.8623 57.8392 63.9542 173.2476 93 L 5.0751 7.9965 120.8517 51.8778 44.5831 174.4780 94 P 4.5548 0.0000 0.0000 62.1333 32.3083 176.4948 95 S 4.4443 8.3120 113.0063 58.0382 64.8163 174.5711 96 F 4.1749 8.9116 124.1970 61.8170 39.0845 177.1205 97 E 4.0196 8.3694 117.5159 59.4767 29.2266 179.3416 98 I 3.8333 7.7269 119.3721 64.3267 37.1113 178.4574 99 Q 4.0723 8.2116 118.8980 59.0111 28.6051 178.9070 100 K 3.8321 8.0572 120.9402 59.4482 32.1505 179.0711 101 S 4.1202 8.0886 115.4450 61.6372 62.7021 176.7190 102 L 3.9449 8.1313 121.7700 57.8532 41.3968 179.6531 103 F 4.0925 8.5062 117.7353 60.3064 38.5479 177.6698 104 A 4.0682 8.1894 119.8268 55.0657 18.1142 179.2258 105 A 4.0952 8.0525 119.3683 55.2932 18.5929 179.8514 106 L 4.0628 8.3715 117.5230 57.4867 41.4652 179.0377 107 N 4.5472 7.9824 116.0139 55.9183 38.9468 175.4891 108 D 4.7523 7.6868 117.4699 53.2815 41.9281 176.0829 109 L 4.4839 7.2201 120.3083 52.7349 43.4041 176.0058 110 P 4.6276 0.0000 0.0000 62.1417 29.9140 176.8121 111 V 3.3570 7.0519 118.2481 63.2584 32.7160 175.1998 112 K 4.8924 8.2993 124.3468 54.0782 36.5104 177.3296 113 T 3.9413 8.4621 116.6968 67.1210 68.2368 176.5418 114 E 3.9918 8.0282 118.8070 59.7572 29.5517 178.8607 115 H 4.1659 7.7785 116.6071 58.5195 28.7025 177.4618 116 L 3.9667 7.7701 120.5407 57.7441 41.2105 179.8567 117 K 3.9759 7.8213 117.4020 59.5319 32.1332 178.8603 118 E 4.0787 8.0375 118.5317 58.4707 29.9564 178.0196 119 S 4.4767 8.2581 113.3471 57.7686 63.8819 175.9156 120 G 4.0377 7.8908 110.4789 46.0352 0.0000 175.2050 121 L 4.1655 7.9080 122.5736 57.6502 41.9169 179.0146 122 G 3.8302 8.1786 105.7980 48.0160 0.0000 175.7493 123 R 4.1114 8.0352 118.5286 58.4877 29.5359 178.9291 124 V 3.7825 7.5703 118.4579 65.9911 31.3654 178.1897 125 V 3.9800 8.1677 117.2766 66.0627 31.6852 177.6597 126 I 3.9442 8.1750 119.7213 64.5004 36.9390 177.9687 127 F 4.1283 8.4329 121.2344 61.7719 37.5602 176.8204 128 Y 3.8345 8.5955 116.4773 60.9605 37.4115 178.4323 129 T 4.0916 7.9358 109.9376 63.6848 68.9520 175.8271 130 K 4.2814 6.8561 118.7625 56.2367 34.1584 176.9731 131 S 3.8296 7.1665 114.5655 57.7785 62.5733 175.0443 132 K 4.0525 8.4283 126.4833 58.6319 31.9395 177.8535 133 R 4.2035 7.8562 116.8874 56.5640 30.4940 176.4046 134 V 4.2308 7.0160 118.8110 60.9311 32.8628 175.4479 135 E 4.0943 8.7773 126.0686 56.1822 30.3221 177.6707 136 A 4.0127 8.8728 125.0300 55.5644 18.4686 180.1201 137 Q 3.9637 8.0888 115.4459 59.3717 28.5740 178.6068 138 L 3.8675 8.1077 120.6190 57.0494 41.7691 179.0659 139 A 4.0532 7.8510 120.4275 55.2430 18.3164 179.7692 140 R 3.8520 8.0884 116.6326 59.0504 30.0466 178.9623 141 L 3.7859 7.7065 119.6772 57.9669 41.9918 178.8841 142 A 3.8057 7.8861 121.0486 55.0633 18.1425 179.2597 143 E 3.8010 8.1862 117.8559 59.1107 29.6927 178.9488 144 K 3.8252 8.1089 119.8985 59.3941 32.2364 178.9043 145 L 3.2237 7.8193 119.5295 57.3795 41.4386 179.2202 146 I 3.6740 7.5486 118.4364 63.9226 37.6687 177.6935 147 A 3.9602 7.3932 120.5664 55.1187 18.5824 178.9936 148 E 4.0062 7.9774 117.6757 59.3946 29.5640 179.1707 149 W 4.7106 8.3270 118.2548 59.1723 29.0696 177.6004 150 T 4.6484 7.8102 109.2198 59.7120 68.9778 174.9614 151 R 4.1041 7.5591 119.0203 55.7792 30.1200 175.8094 152 P 4.1124 0.0000 0.0000 64.4589 31.5899 176.2802 153 I 3.0067 6.8498 116.4583 67.0155 34.2619 173.4109 154 I 3.7357 7.3301 117.9007 61.0788 39.0464 174.0186 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 8 D 8.35 4.65 0.00 2.69 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 9 D 7.82 4.56 0.00 2.98 2.91 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 10 L 8.60 4.01 0.00 1.71 1.77 0.89 0.91 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 11 E 8.25 4.14 0.00 1.99 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 2.49 2.34 0.00 12 Q 7.97 4.10 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 13 Y 8.11 4.07 0.00 3.10 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 14 L 7.94 3.86 0.00 1.71 1.69 0.99 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.79 4.47 0.00 2.92 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 16 E 8.14 3.97 0.00 1.99 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 2.13 2.23 0.00 17 K 7.60 3.77 0.00 1.39 1.70 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.43 7.81 18 I 7.88 3.71 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.22 0.82 0.00 0.00 19 L 8.36 3.97 0.00 1.58 1.66 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.03 3.93 0.00 2.01 1.92 0.00 3.06 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 21 L 7.46 3.87 0.00 1.49 1.77 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.83 3.91 0.00 1.81 1.92 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.41 7.81 23 D 8.07 4.57 0.00 2.87 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 24 E 8.25 4.29 0.00 2.12 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 2.54 2.50 0.00 *26 N 8.18 4.80 0.00 2.96 2.94 0.00 0.00 7.02 7.48 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 27 I 8.18 3.74 2.04 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 1.47 0.81 0.93 0.00 0.00 28 A 8.39 3.97 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 29 A 8.07 3.75 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 30 Q 8.22 3.87 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 31 L 8.15 3.98 0.00 1.82 1.69 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.18 4.29 0.00 2.76 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 33 I 7.93 3.67 1.97 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 1.69 0.87 0.90 0.00 0.00 34 D 8.17 4.34 0.00 2.86 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 35 T 8.04 3.85 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 1.19 0.00 0.00 36 L 8.14 3.89 0.00 1.71 1.79 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.31 4.27 0.00 2.92 2.86 0.00 0.00 6.74 8.06 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 38 K 8.15 3.89 0.00 1.95 1.97 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 39 R 8.45 3.90 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 40 I 7.78 3.66 2.08 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 1.52 0.72 0.91 0.00 0.00 41 E 8.41 4.11 0.00 2.00 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 2.35 2.32 0.00 42 T 8.28 4.33 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 1.24 0.00 0.00 43 G 7.72 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 44 D 7.77 4.55 0.00 2.66 2.58 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 0.00 0.00 0.00 0.00 45 T 8.37 4.39 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 46 S 8.50 4.32 0.00 3.98 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 47 L 7.51 4.37 0.00 1.75 1.64 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.97 4.53 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 1.33 0.84 0.90 0.00 0.00 49 A 8.30 4.09 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 *51 Q 8.57 4.39 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 52 K 8.17 3.38 0.00 1.17 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.07 7.81 53 V 7.47 3.62 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 0.73 0.00 0.00 0.90 0.00 0.00 54 K 7.91 4.15 0.00 1.89 1.89 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 L 7.96 4.28 0.00 2.03 2.13 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.10 4.20 0.00 2.16 1.92 1.16 0.95 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 57 P 0.00 4.25 0.00 2.22 2.13 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 58 K 8.03 3.96 0.00 1.84 1.93 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.49 7.81 59 V 7.56 3.43 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 0.70 0.00 0.00 0.65 0.00 0.00 60 V 8.03 3.52 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 0.94 0.00 0.00 0.99 0.00 0.00 61 S 7.86 4.04 0.00 3.97 4.04 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 62 V 7.85 3.70 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 0.90 0.00 0.00 0.94 0.00 0.00 63 L 8.04 4.04 0.00 1.59 1.66 0.77 0.64 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 64 S 7.60 4.59 0.00 4.06 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 65 K 7.68 4.17 0.00 1.97 1.79 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.56 7.81 66 A 8.89 3.95 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 67 N 8.06 4.69 0.00 2.82 2.93 0.00 0.00 5.96 7.79 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 68 L 7.99 4.41 0.00 1.80 1.68 0.90 1.07 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 69 A 7.69 3.92 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 70 D 8.06 4.26 0.00 2.67 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 71 T 7.79 3.83 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 1.29 0.00 0.00 72 I 7.95 3.60 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.77 0.00 0.00 73 L 8.19 3.83 0.00 1.56 1.40 0.72 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.55 4.47 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 75 N 7.88 4.70 0.00 2.72 2.77 0.00 0.00 6.99 7.28 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 76 N 7.89 4.11 0.00 2.89 2.76 0.00 0.00 6.84 6.54 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 77 L 7.50 3.90 0.00 1.63 1.61 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.79 3.91 0.00 1.58 1.54 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.70 4.15 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 80 S 7.85 4.08 0.00 3.82 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 81 V 7.39 3.24 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 0.78 0.00 0.00 0.71 0.00 0.00 82 R 8.29 3.88 0.00 1.91 2.12 0.00 3.18 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 83 I 7.58 3.95 2.14 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 1.04 0.00 0.00 84 W 8.20 4.42 0.00 3.34 3.29 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 85 L 7.72 4.45 0.00 1.77 1.75 0.30 0.71 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 86 E 7.69 4.21 0.00 2.07 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 2.49 2.23 0.00 87 P 0.00 4.50 0.00 1.85 1.63 0.00 3.48 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 88 L 8.32 4.36 0.00 1.89 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.25 0.00 2.02 2.11 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 2.02 2.06 0.00 90 D 7.98 4.46 0.00 2.79 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 91 G 8.43 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 92 S 8.44 4.45 0.00 4.04 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 93 L 8.00 5.08 0.00 1.69 1.72 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.55 0.00 2.23 2.12 0.00 3.99 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 2.19 2.30 0.00 95 S 8.31 4.44 0.00 4.28 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 0.00 96 F 8.91 4.17 0.00 3.21 3.19 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 0.00 97 E 8.37 4.02 0.00 2.16 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 2.49 2.60 0.00 98 I 7.73 3.83 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.60 1.07 0.00 0.00 99 Q 8.21 4.07 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.77 2.78 0.00 100 K 8.06 3.83 0.00 0.90 1.48 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.33 7.81 101 S 8.09 4.12 0.00 4.01 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 0.00 102 L 8.13 3.94 0.00 1.61 1.51 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.51 4.09 0.00 3.22 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.19 4.07 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 0.00 105 A 8.05 4.10 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 0.00 106 L 8.37 4.06 0.00 2.04 2.16 0.67 0.64 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 0.00 107 N 7.98 4.55 0.00 2.93 3.09 0.00 0.00 7.12 8.73 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 0.00 108 D 7.69 4.75 0.00 2.84 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 0.00 109 L 7.22 4.48 0.00 1.82 1.46 0.74 0.69 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 0.00 110 P 0.00 4.63 0.00 2.16 2.11 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 111 V 7.05 3.36 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 0.00 0.00 -0.05 0.00 0.00 0.18 0.00 0.00 112 K 8.30 4.89 0.00 1.67 1.65 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.43 7.81 113 T 8.46 3.94 4.25 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 1.23 0.00 0.00 114 E 8.03 3.99 0.00 2.05 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 0.00 1.95 2.14 0.00 115 H 7.78 4.17 0.00 3.09 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.77 3.97 0.00 1.91 1.84 1.16 0.60 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 0.00 117 K 7.82 3.98 0.00 1.89 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.58 7.81 118 E 8.04 4.08 0.00 2.02 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 2.46 2.28 0.00 119 S 8.26 4.48 0.00 4.15 4.03 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 0.00 120 G 7.89 4.04 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 0.00 121 L 7.91 4.17 0.00 1.73 1.63 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.18 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 0.00 123 R 8.04 4.11 0.00 2.13 2.27 0.00 3.00 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 124 V 7.57 3.78 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 1.22 0.00 0.00 0.98 0.00 0.00 125 V 8.17 3.98 2.35 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 1.09 0.00 0.00 1.27 0.00 0.00 126 I 8.17 3.94 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.99 0.00 0.00 127 F 8.43 4.13 0.00 3.27 3.45 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 0.00 128 Y 8.60 3.83 0.00 3.51 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 0.00 129 T 7.94 4.09 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 1.30 0.00 0.00 130 K 6.86 4.28 0.00 1.65 1.73 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 131 S 7.17 3.83 0.00 2.72 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 0.00 132 K 8.43 4.05 0.00 1.74 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.37 7.81 133 R 7.86 4.20 0.00 1.77 1.98 0.00 3.19 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 1.63 1.56 0.00 134 V 7.02 4.23 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 0.90 0.00 0.00 0.63 0.00 0.00 135 E 8.78 4.09 0.00 2.30 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 2.54 2.21 0.00 136 A 8.87 4.01 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 0.00 137 Q 8.09 3.96 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 138 L 8.11 3.87 0.00 1.87 1.52 0.91 0.78 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 0.00 139 A 7.85 4.05 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 0.00 140 R 8.09 3.85 0.00 1.79 1.93 0.00 3.26 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 141 L 7.71 3.79 0.00 1.68 1.61 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.89 3.81 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 0.00 143 E 8.19 3.80 0.00 2.01 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 0.00 2.25 2.27 0.00 144 K 8.11 3.83 0.00 1.76 1.81 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.39 7.81 145 L 7.82 3.22 0.00 1.17 0.13 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.55 3.67 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.31 0.97 0.00 0.00 147 A 7.39 3.96 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 0.00 148 E 7.98 4.01 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 149 W 8.33 4.71 0.00 3.45 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 0.00 150 T 7.81 4.65 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 151 R 7.56 4.10 0.00 2.07 2.34 0.00 2.84 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 152 P 0.00 4.11 0.00 2.07 2.21 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 153 I 6.85 3.01 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.93 0.00 0.00 154 I 7.33 3.74 1.88 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 1.28 0.47 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.