NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.9687 8.3698 117.7676 57.9109 39.4881 175.4147 4 S 4.4468 8.6454 119.7741 57.6353 65.4911 173.7608 5 T 3.8915 9.4513 120.0266 66.8907 68.5280 178.0706 6 R 3.8696 8.0181 119.9603 59.5179 30.0289 178.2083 7 E 3.9423 8.0563 117.8741 59.4965 29.4262 179.2879 8 I 3.5238 7.6801 118.6510 63.6378 37.8793 177.6285 9 L 3.6950 8.1108 121.6149 57.9999 41.8432 178.7569 10 L 3.8080 8.0696 120.2222 58.1139 41.9604 178.7327 11 A 3.9338 8.1783 120.9286 55.0692 18.1768 179.6773 12 L 3.8940 8.0336 117.6611 58.0857 41.6631 179.4624 13 C 4.0409 8.1664 116.8220 62.7225 28.0239 176.1789 14 I 3.6145 7.8957 121.5527 64.3598 36.8755 178.2096 15 R 3.7813 8.1306 119.7423 59.6790 29.9061 177.8550 16 D 4.3467 8.3614 117.9333 57.5666 41.1621 178.3653 17 S 4.1267 8.2248 115.6358 61.7538 62.5811 176.9613 18 R 3.9379 7.6857 119.8552 59.1084 29.8126 178.9223 19 V 3.7297 7.4909 117.0462 65.2424 31.6534 176.8484 20 H 4.7881 8.1820 113.4978 56.9216 30.3575 174.4586 21 G 4.1797 7.9815 110.0024 44.3300 0.0000 173.3208 22 N 4.6077 8.7332 118.5945 52.6867 37.6696 175.8204 23 G 3.9096 8.4211 107.6371 45.4694 0.0000 173.4398 24 T 4.4395 7.2994 116.0590 61.0597 69.9859 173.9040 25 L 3.9972 8.4284 129.0585 54.8286 43.0207 176.0725 26 H 4.0351 8.8245 124.9712 56.0039 30.4037 174.0463 27 P 4.3331 0.0000 0.0000 65.8173 30.9830 179.1234 28 V 3.6598 8.1402 116.7508 65.9371 31.4744 177.9537 29 L 3.9754 7.9741 118.6799 57.5472 41.3601 179.2298 30 E 3.9405 8.1460 118.1570 59.3095 29.4471 178.8803 31 L 3.9296 8.2699 120.3233 58.3192 42.2136 178.9578 32 A 3.9544 8.3945 120.7355 54.8319 18.3144 179.4004 33 A 3.9072 8.1677 119.5199 55.3339 18.2663 179.6624 34 R 3.8197 7.8789 115.8505 59.8075 30.2667 178.1788 35 E 4.2216 8.1886 116.0903 58.6797 29.6968 178.7215 36 T 4.1072 8.0418 115.5614 63.7357 69.6079 173.1797 37 P 3.8546 0.0000 0.0000 62.9970 28.0099 171.8046 38 L 4.0005 8.3299 122.4790 55.3843 42.2235 177.0039 39 R 4.3489 8.5660 125.0654 56.5191 31.1511 176.4677 40 L 4.6852 7.8339 120.0464 53.6598 43.2477 175.9357 41 S 4.3018 8.5833 120.8097 57.5983 62.9460 172.9859 42 P 4.3720 0.0000 0.0000 64.6209 31.2412 176.7594 43 E 4.4127 7.9269 116.6648 55.9818 30.0640 176.3855 44 D 4.4499 7.8780 120.2530 54.4016 42.9959 177.0109 45 T 3.9137 8.5705 116.9366 64.9975 68.6293 176.9887 46 V 3.6711 7.7973 122.0582 64.5264 31.2840 178.6843 47 V 3.6063 7.6391 118.4921 65.7839 31.5328 177.8732 48 L 4.0545 7.9779 118.8120 57.7826 41.4507 179.8154 49 R 3.8984 8.1794 118.0711 59.5132 29.9581 178.6950 50 Y 3.9965 8.2000 116.6960 61.1589 37.7505 178.0908 51 H 4.0836 8.7703 119.7196 59.1604 29.9614 177.1953 52 V 3.5727 7.8548 119.9974 66.2803 31.4079 178.0406 53 L 4.0191 7.7318 117.8922 57.8326 41.3790 179.6126 54 L 4.1113 8.3385 119.3028 57.6177 41.5034 178.9784 55 E 3.8812 8.4875 119.7564 59.3713 29.5515 178.6938 56 E 3.9333 8.3069 118.4910 59.4675 29.5399 179.4557 57 I 3.6469 7.6803 119.3842 64.3758 36.9063 178.2549 58 I 3.3315 7.8874 120.7642 64.6410 36.7908 178.2582 59 E 3.9365 8.0416 117.6822 59.5668 29.3648 179.4747 60 R 4.1264 7.8885 116.7613 57.7820 30.3385 176.9710 61 N 4.8431 7.4962 116.3436 52.5144 39.7660 176.8262 62 S 4.1058 8.1783 115.3339 60.9427 62.4333 174.9778 63 E 3.9775 8.0700 121.3243 59.7630 29.4487 178.7421 64 T 4.0180 7.9036 115.2608 66.5984 68.5762 176.5137 65 F 4.6949 8.8135 120.2664 61.0250 38.8775 177.8295 66 T 4.1247 8.2082 115.2432 66.7780 68.2292 176.6203 67 E 4.0659 8.7413 121.0528 59.6524 29.5104 179.5025 68 T 4.0007 8.5437 110.2782 64.6035 68.7048 176.1438 69 W 4.4158 8.7054 131.3604 60.3014 30.9175 177.4425 70 N 4.1416 8.6524 117.0062 56.4291 38.1341 177.6126 71 R 3.9505 8.3699 117.6614 59.0463 29.6480 178.3578 72 F 3.8841 8.3254 121.5770 61.2844 39.1593 177.0529 73 I 3.4135 7.2777 116.7012 63.3905 37.7635 177.1791 74 T 4.0656 7.4535 108.7355 63.2605 69.1004 175.4480 75 H 4.5484 7.4431 116.6737 55.0396 30.2837 174.5970 76 T 3.9365 6.9108 115.9516 61.7383 67.5861 173.9454 77 E 4.4740 8.2648 126.4784 56.7215 30.5665 176.7658 78 H 4.9013 7.7220 114.7429 53.0687 29.9848 174.0267 79 V 3.7401 8.5570 128.2399 67.0374 31.3399 176.8130 80 D 4.6886 8.3174 118.2178 56.5835 39.4137 178.1859 81 L 4.1255 8.1095 120.0476 57.8298 41.6330 179.1758 82 D 4.6071 8.6378 118.7096 57.0961 40.7071 178.6513 83 F 4.3254 8.8858 118.7157 61.0296 39.0775 177.3853 84 N 4.5512 8.3494 115.5699 56.4800 38.4546 177.6267 85 S 4.2019 8.3949 116.4934 61.9019 63.1262 177.2664 86 V 3.6782 8.3529 115.2525 64.1246 31.1363 178.2052 87 F 3.3493 8.4073 120.5450 61.2067 39.0904 177.1667 88 L 4.0056 8.0376 118.2681 57.9750 41.2241 179.1461 89 E 3.9412 7.7316 116.8106 59.6822 29.4512 179.3621 90 I 3.5139 7.0955 118.0835 63.2718 37.4508 177.4914 91 F 4.3751 7.3717 115.9646 59.2359 38.9947 181.4311 92 H 3.4797 8.4934 112.9140 56.7486 31.2346 176.2598 93 R 3.7233 7.8038 125.2686 57.4589 29.6811 175.9059 *96 P 3.9028 0.0000 0.0000 62.5381 32.3596 176.8885 97 S 4.3954 7.8638 117.4875 57.3290 64.6069 173.9935 98 L 4.4112 8.7836 128.6094 58.4744 41.8210 179.7100 99 G 3.6988 7.9645 105.0728 47.8810 0.0000 175.9954 100 R 3.9224 7.9777 119.8319 58.7996 30.1472 178.7137 101 A 4.4305 8.1701 120.6498 55.5074 18.4270 179.7805 102 L 4.2564 8.3681 117.2944 57.7859 41.6892 179.3774 103 A 4.2827 8.6460 121.2985 55.1721 18.3599 179.5512 104 W 4.2821 8.6202 126.7342 61.0585 30.8262 178.1997 105 M 3.9690 8.6529 118.5774 58.2729 31.3934 178.6486 106 A 4.0571 8.7203 121.5142 54.7988 18.5047 179.5066 107 W 3.1222 8.3080 127.0678 60.3426 30.6229 178.0670 108 C 3.5399 7.7229 116.5898 62.8519 27.4595 175.6758 109 M 3.7593 7.8548 119.8143 58.8713 31.7412 177.6912 110 H 3.8561 8.4379 118.4620 58.9299 29.9318 177.1642 111 A 2.5800 7.1340 122.6296 54.5144 17.8547 179.0240 112 C 3.6000 7.5400 117.5101 62.4247 31.6127 175.6636 113 R 3.6789 7.7160 120.2627 59.7099 29.5668 178.4894 114 T 3.6927 7.3794 115.2242 66.6081 68.2028 176.5336 115 L 4.0681 7.4006 119.3718 58.0983 41.7619 179.1257 116 C 4.2955 7.9959 115.0066 61.5974 28.2899 174.9017 117 C 4.6185 7.7589 114.3619 58.0215 30.3282 173.3455 118 N 4.5989 7.5591 119.8148 51.9741 37.3533 174.9339 119 Q 4.0093 8.5069 127.3082 58.3180 29.3302 177.3503 120 S 4.3799 7.9409 110.3275 59.6565 63.6942 174.4175 121 T 3.9796 7.8225 119.9073 62.7356 68.8829 173.1721 122 P 4.4061 0.0000 0.0000 62.2646 33.2516 176.3911 123 Y 4.2100 8.8935 123.2336 61.4388 38.5612 178.5970 124 Y 4.2267 8.2865 117.6849 59.9419 38.0061 178.4875 125 V 3.3638 6.7422 119.5782 65.6902 31.7599 177.8320 126 V 3.4254 7.3199 117.5611 66.0648 31.1941 177.1844 127 D 4.0396 7.9849 117.8626 57.5283 41.0576 178.3204 128 L 4.0268 8.2300 119.4615 57.7972 41.5381 179.9356 129 S 4.2753 8.0923 115.2067 61.6464 62.8545 176.8965 130 V 3.3193 7.6485 120.9269 65.7464 31.2164 178.3156 131 R 3.9416 8.1765 118.2079 59.0733 29.8580 179.1691 132 G 3.7026 8.3189 106.0708 48.0649 0.0000 175.5594 133 M 4.0508 7.3046 120.3212 57.8782 30.8398 178.6427 134 L 3.9532 7.5333 119.1052 57.4604 41.9527 179.1001 135 E 4.3270 8.5831 119.6365 58.8706 29.4872 179.1025 136 A 3.8537 8.2581 120.9665 55.3911 18.4619 179.8901 137 S 4.2642 8.1703 112.9621 61.3648 62.5011 176.5530 138 E 4.1071 7.8991 121.9197 59.1692 28.9208 179.1478 139 G 3.7247 7.2996 104.5654 46.8300 0.0000 174.5560 140 L 4.4619 7.9021 120.0461 55.6476 42.0122 178.3403 141 D 4.5564 8.3341 120.4429 57.1328 40.6206 178.6584 142 G 3.6650 8.1121 105.8044 47.5495 0.0000 175.3932 143 W 4.1082 8.1897 131.0005 60.1060 30.8574 177.8983 144 I 2.7416 8.0316 113.2238 63.8604 36.6179 177.4597 145 H 3.9433 8.2160 119.9095 59.2664 29.5108 177.2197 146 Q 4.0143 7.5434 117.7276 58.0054 28.4920 177.6619 147 Q 4.2013 6.8129 116.9403 54.8486 28.8957 176.1077 148 G 3.6171 7.9980 108.3797 45.9043 0.0000 174.8145 149 G 3.9845 7.8777 105.6468 44.5631 0.0000 175.4029 150 W 4.2875 8.7314 119.0089 59.7527 28.8946 179.1305 151 S 4.3157 8.3023 114.6676 62.0261 62.1710 176.7318 152 T 3.8882 7.8781 116.6884 66.5946 68.3426 176.0928 153 L 4.0973 7.7979 119.8785 57.7024 41.9164 179.1249 154 I 3.9023 7.9092 117.9563 63.7840 38.0153 177.5034 155 E 4.1995 8.1602 117.4055 58.6961 29.5173 175.8286 156 D 4.4697 8.0775 116.9821 54.0589 45.2770 174.8214 157 N 4.4525 8.7654 117.6309 54.6397 39.9634 173.7791 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 3 Y 8.37 4.97 0.00 3.15 3.01 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 4 S 8.65 4.45 0.00 4.21 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 5 T 9.45 3.89 4.53 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 1.52 0.00 0.00 6 R 8.02 3.87 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 7 E 8.06 3.94 0.00 2.35 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 2.37 2.35 0.00 8 I 7.68 3.52 1.51 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.20 -0.14 0.00 0.00 9 L 8.11 3.69 0.00 1.65 1.58 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.07 3.81 0.00 1.76 1.67 0.86 1.40 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 11 A 8.18 3.93 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 12 L 8.03 3.89 0.00 1.81 1.67 0.72 0.98 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 13 C 8.17 4.04 0.00 2.99 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 14 I 7.90 3.61 1.96 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 1.37 0.57 0.88 0.00 0.00 15 R 8.13 3.78 0.00 1.99 2.10 0.00 3.27 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 16 D 8.36 4.35 0.00 2.98 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 17 S 8.22 4.13 0.00 4.02 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 18 R 7.69 3.94 0.00 1.89 1.96 0.00 3.30 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 19 V 7.49 3.73 2.18 0.00 0.00 0.00 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 0.90 0.00 0.00 20 H 8.18 4.79 0.00 3.25 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.98 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.73 4.61 0.00 2.83 2.92 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.42 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 0.00 0.00 0.00 24 T 7.30 4.44 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 25 L 8.43 4.00 0.00 1.57 1.72 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.82 4.04 0.00 3.25 3.17 0.00 5.94 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.33 0.00 2.41 2.16 0.00 3.14 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 28 V 8.14 3.66 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 1.03 0.00 0.00 0.62 0.00 0.00 29 L 7.97 3.98 0.00 1.90 1.67 0.86 0.79 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 30 E 8.15 3.94 0.00 2.15 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 2.57 2.32 0.00 31 L 8.27 3.93 0.00 1.87 1.95 0.96 1.07 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 32 A 8.39 3.95 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 33 A 8.17 3.91 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 34 R 7.88 3.82 0.00 2.00 2.15 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 35 E 8.19 4.22 0.00 1.98 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 2.51 2.50 0.00 36 T 8.04 4.11 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 1.23 0.00 0.00 37 P 0.00 3.85 0.00 2.10 2.11 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 38 L 8.33 4.00 0.00 1.62 1.61 0.96 0.87 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 39 R 8.57 4.35 0.00 1.82 1.94 0.00 3.11 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 40 L 7.83 4.69 0.00 2.31 1.76 -0.06 0.59 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 41 S 8.58 4.30 0.00 3.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.37 0.00 2.05 2.28 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 43 E 7.93 4.41 0.00 1.96 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 2.25 2.21 0.00 44 D 7.88 4.45 0.00 2.81 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 45 T 8.57 3.91 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 V 7.80 3.67 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 0.56 0.00 0.00 1.17 0.00 0.00 47 V 7.64 3.61 2.18 0.00 0.00 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 0.87 0.00 0.00 48 L 7.98 4.05 0.00 1.75 1.71 0.91 0.87 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 49 R 8.18 3.90 0.00 1.76 1.83 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 50 Y 8.20 4.00 0.00 3.18 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 51 H 8.77 4.08 0.00 3.33 3.50 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.85 3.57 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 1.02 0.00 0.00 53 L 7.73 4.02 0.00 1.97 1.79 0.90 0.70 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 54 L 8.34 4.11 0.00 1.68 1.76 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.49 3.88 0.00 1.91 1.97 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 2.31 2.39 0.00 56 E 8.31 3.93 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 57 I 7.68 3.65 2.11 0.00 0.00 1.00 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 0.96 1.05 0.00 0.00 58 I 7.89 3.33 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.12 0.97 0.00 0.00 59 E 8.04 3.94 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 60 R 7.89 4.13 0.00 1.78 1.92 0.00 3.08 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 61 N 7.50 4.84 0.00 1.78 2.25 0.00 0.00 6.47 7.08 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 62 S 8.18 4.11 0.00 3.93 3.82 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 63 E 8.07 3.98 0.00 2.14 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 2.40 2.67 0.00 64 T 7.90 4.02 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 1.34 0.00 0.00 65 F 8.81 4.69 0.00 3.10 2.76 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 66 T 8.21 4.12 4.48 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 1.33 0.00 0.00 67 E 8.74 4.07 0.00 2.09 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 0.00 2.39 2.67 0.00 68 T 8.54 4.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 69 W 8.71 4.42 0.00 3.31 3.27 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 70 N 8.65 4.14 0.00 3.06 2.87 0.00 0.00 6.86 7.21 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 71 R 8.37 3.95 0.00 1.92 2.18 0.00 2.78 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 72 F 8.33 3.88 0.00 3.28 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 73 I 7.28 3.41 0.56 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.52 0.00 0.00 74 T 7.45 4.07 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 1.17 0.00 0.00 75 H 7.44 4.55 0.00 3.09 3.26 0.00 5.65 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 76 T 6.91 3.94 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 77 E 8.26 4.47 0.00 1.84 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 2.15 2.15 0.00 78 H 7.72 4.90 0.00 3.32 3.43 0.00 5.28 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.56 3.74 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 1.67 0.00 0.00 1.05 0.00 0.00 80 D 8.32 4.69 0.00 3.03 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.11 4.13 0.00 1.92 1.80 0.81 1.15 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 82 D 8.64 4.61 0.00 2.74 2.76 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 83 F 8.89 4.33 0.00 3.66 3.60 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 84 N 8.35 4.55 0.00 3.01 2.97 0.00 0.00 7.10 7.13 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 85 S 8.39 4.20 0.00 4.14 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 86 V 8.35 3.68 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 1.14 0.00 0.00 0.91 0.00 0.00 87 F 8.41 3.35 0.00 2.55 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 88 L 8.04 4.01 0.00 1.94 1.71 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.73 3.94 0.00 2.07 1.95 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 2.52 2.49 0.00 90 I 7.10 3.51 0.80 0.00 0.00 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 1.15 0.26 -0.30 0.00 0.00 91 F 7.37 4.38 0.00 2.42 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 92 H 8.49 3.48 0.00 3.04 3.60 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.80 3.72 0.00 1.73 1.75 0.00 3.21 0.00 0.00 3.18 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 *96 P 0.00 3.90 0.00 1.13 1.59 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.14 0.00 97 S 7.86 4.40 0.00 3.86 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 98 L 8.78 4.41 0.00 2.12 1.84 1.28 1.14 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 99 G 7.96 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 0.00 100 R 7.98 3.92 0.00 1.95 1.61 0.00 2.83 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 101 A 8.17 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.37 4.26 0.00 1.94 1.95 1.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.65 4.28 1.52 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 0.00 0.00 104 W 8.62 4.28 0.00 3.71 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 0.00 105 M 8.65 3.97 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.31 0.00 106 A 8.72 4.06 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 107 W 8.31 3.12 0.00 2.89 3.02 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 0.00 108 C 7.72 3.54 0.00 2.74 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 0.00 109 M 7.85 3.76 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 110 H 8.44 3.86 0.00 3.30 3.24 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.13 2.58 -0.55 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 0.00 0.00 112 C 7.54 3.60 0.00 2.64 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 0.00 113 R 7.72 3.68 0.00 1.88 1.80 0.00 2.95 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 114 T 7.38 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 1.28 0.00 0.00 115 L 7.40 4.07 0.00 1.56 1.61 0.83 1.08 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 0.00 116 C 8.00 4.30 0.00 2.91 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 0.00 117 C 7.76 4.62 0.00 3.14 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 0.00 118 N 7.56 4.60 0.00 2.93 2.78 0.00 0.00 6.66 7.43 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 0.00 119 Q 8.51 4.01 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 120 S 7.94 4.38 0.00 4.03 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 0.00 121 T 7.82 3.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 122 P 0.00 4.41 0.00 1.67 2.02 0.00 3.47 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 1.94 2.13 0.00 123 Y 8.89 4.21 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 0.00 124 Y 8.29 4.23 0.00 3.21 3.32 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 0.00 125 V 6.74 3.36 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 1.01 0.00 0.00 0.09 0.00 0.00 126 V 7.32 3.43 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 0.54 0.00 0.00 0.84 0.00 0.00 127 D 7.98 4.04 0.00 1.98 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 0.00 128 L 8.23 4.03 0.00 1.93 1.85 1.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.09 4.28 0.00 4.12 4.06 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 0.00 130 V 7.65 3.32 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 0.90 0.00 0.00 0.75 0.00 0.00 131 R 8.18 3.94 0.00 1.87 1.95 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 132 G 8.32 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 0.00 133 M 7.30 4.05 0.00 1.24 1.96 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 134 L 7.53 3.95 0.00 1.59 1.73 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.58 4.33 0.00 2.10 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 2.32 2.27 0.00 136 A 8.26 3.85 1.55 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 0.00 0.00 137 S 8.17 4.26 0.00 4.25 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 0.00 138 E 7.90 4.11 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 139 G 7.30 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 0.00 140 L 7.90 4.46 0.00 2.09 1.97 1.25 -0.06 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 0.00 141 D 8.33 4.56 0.00 2.83 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 0.00 142 G 8.11 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 0.00 143 W 8.19 4.11 0.00 3.36 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.03 2.74 0.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.62 0.00 0.00 145 H 8.22 3.94 0.00 3.33 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.54 4.01 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 147 Q 6.81 4.20 0.00 1.57 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 148 G 8.00 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 0.00 149 G 7.88 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 0.00 150 W 8.73 4.29 0.00 3.39 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 0.00 151 S 8.30 4.32 0.00 3.98 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 0.00 152 T 7.88 3.89 4.43 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 1.18 0.00 0.00 153 L 7.80 4.10 0.00 1.99 1.93 0.49 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.91 3.90 1.48 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.98 0.00 0.00 155 E 8.16 4.20 0.00 2.07 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 2.36 2.46 0.00 156 D 8.08 4.47 0.00 2.73 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 0.00 157 N 8.77 4.45 0.00 2.75 2.72 0.00 0.00 6.72 7.56 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 * Residues marked with a * may have inaccurate shift predictions.