NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8211 8.2833 118.2359 52.5176 38.4913 175.0736 3 Y 4.3574 8.3297 116.3023 60.8731 38.2734 178.5493 4 F 4.3812 10.4999 120.4910 61.0444 39.8797 176.7271 5 E 4.0060 9.3337 116.9965 60.3318 29.0038 180.3618 6 L 4.1010 7.7210 118.5577 57.2313 41.9167 178.9630 7 F 4.6751 7.7696 114.8247 56.0839 39.3680 175.9269 8 G 4.0540 9.1349 107.7035 46.8104 0.0000 173.8174 9 L 4.8426 8.1512 118.1862 51.9362 44.3560 174.3506 10 P 4.6340 0.0000 0.0000 61.4141 32.5200 176.8161 11 I 2.6876 7.8081 122.3381 60.9138 35.0750 174.9240 12 Q 4.5654 6.5999 119.3337 54.9189 30.8055 174.8551 13 F 4.3395 9.1171 122.4527 61.2759 39.7759 176.0477 14 E 4.1273 8.1487 119.1161 56.4536 29.8341 175.9901 15 L 4.2925 7.8170 121.8646 52.7696 45.1943 174.2637 16 D 4.5474 8.7099 125.2130 53.9845 42.0234 176.9377 17 G 3.6846 8.8065 115.3589 47.8201 0.0000 174.3107 18 S 4.4374 8.3766 115.7929 60.2188 63.0549 176.2462 19 L 4.0966 8.0893 123.4748 57.4764 41.8769 178.3687 20 L 4.1880 7.9922 120.6796 58.2514 41.8687 178.3861 21 S 4.4195 7.9999 114.0933 61.4285 63.0029 176.1781 22 S 4.3204 8.1988 116.2661 62.3233 62.5162 176.6872 23 Q 4.0587 7.9991 121.5044 58.4159 28.4528 179.1566 24 F 4.5438 8.6550 121.6398 61.1281 39.3439 176.8936 25 R 3.7479 8.2143 116.1761 57.2150 30.0904 178.4110 26 A 4.0083 7.7055 121.0558 54.7812 18.7794 179.4471 27 L 4.0006 7.4999 117.6084 57.8999 41.2784 179.5381 28 Q 3.8373 7.7965 119.6165 58.6788 28.6762 177.7608 29 K 3.8091 7.3430 119.6460 59.5869 32.2935 178.2949 30 R 3.9002 7.6365 117.2117 59.1677 30.0568 177.7042 31 F 4.8620 8.1875 114.6371 56.7895 39.7002 176.0078 32 H 4.2246 7.5643 118.2477 55.9833 31.3979 174.3562 33 P 4.4134 0.0000 0.0000 65.9070 31.0172 178.6608 34 D 4.5557 8.3250 116.2731 56.8567 40.8974 177.4306 35 N 4.5617 7.9424 115.0816 54.0339 38.8289 175.3126 36 F 4.7445 8.0926 118.6705 56.8927 40.2619 176.7590 37 A 4.1270 8.3203 126.2714 54.8023 18.0926 179.1818 38 T 4.4800 7.7197 102.3074 61.0870 69.5100 173.7688 39 A 4.3256 7.8839 125.7391 51.5552 19.3725 178.3081 40 S 4.3364 8.4072 114.3383 58.1363 64.4058 174.7390 41 E 3.8995 8.8522 123.8758 59.9331 29.0182 179.6945 42 R 4.0039 7.8509 113.8756 59.2190 29.8510 177.9778 43 D 4.4723 7.4442 119.2631 57.0909 41.1443 178.4604 44 R 4.0669 7.7989 118.0525 59.1666 30.2002 180.9275 45 L 3.9888 7.4272 116.9308 54.8703 41.5868 179.2987 *47 A 4.0651 8.1258 123.8136 51.9199 20.4905 180.2362 48 V 3.6902 7.6749 116.0919 64.6025 31.5629 178.7260 49 Q 3.8429 7.9082 118.7530 58.9984 28.5380 178.2955 50 Q 3.9576 7.9980 119.6707 59.1181 28.5797 178.0578 51 A 4.0368 7.8262 120.7662 53.9481 18.4283 179.4482 52 A 3.9532 7.7234 119.9335 55.2529 18.6939 179.2221 53 Q 3.9018 8.5006 118.4121 59.7864 29.0263 179.2205 54 I 3.8727 7.5477 120.6903 64.1446 37.3057 178.0800 55 N 4.4951 7.8937 117.1026 56.3584 38.3286 177.1524 56 D 4.1456 8.3580 120.2825 57.3774 40.9040 178.5920 57 A 2.0000 7.3233 121.0361 54.6809 18.2043 179.0903 58 Y 3.3701 7.7050 117.4676 60.5335 38.5632 177.8005 59 Q 3.7197 7.4729 117.9288 58.9871 28.8926 178.8121 60 T 3.8151 7.4393 116.7615 66.7033 68.3589 176.9896 61 L 3.7072 7.2597 119.3966 57.0571 41.5941 179.1869 62 K 3.7186 7.6009 119.4732 56.8521 32.1762 175.9445 63 D 4.7469 7.0247 119.5522 51.4641 42.9871 174.3036 64 P 4.0719 0.0000 0.0000 65.9423 31.3653 178.4733 65 L 4.1161 7.8870 116.7925 57.9960 41.7473 179.4933 66 R 3.9884 7.6728 117.7006 59.2475 29.8902 179.1714 67 R 3.9513 8.9103 118.9598 59.3016 30.0562 178.4588 68 A 4.3185 9.0204 121.1760 55.3581 18.5153 179.0276 69 E 3.9110 8.7962 118.2118 59.6960 29.5578 178.5267 70 Y 4.1416 8.7657 119.6658 60.8010 38.7243 177.4864 71 L 3.9412 8.5400 119.1233 58.3229 42.0940 179.4993 72 L 3.7404 8.2493 118.7607 57.0943 41.3808 179.5669 73 S 3.9300 7.8445 114.5414 61.6183 62.6417 176.6484 74 L 3.6886 7.3496 121.6144 56.6264 41.3192 178.5638 75 Q 4.0860 7.2074 115.8614 54.7793 28.9046 175.5403 76 G 3.6757 8.0559 108.2314 46.8142 0.0000 173.9581 77 I 4.3572 7.6004 119.4439 59.0932 39.6376 175.1010 78 E 4.5433 8.4476 123.8415 54.3556 32.1955 174.9121 *80 N 4.3481 7.9694 116.8538 53.3170 40.6157 174.6307 *88 D 4.3069 7.8661 127.7455 53.7716 41.7041 174.2213 89 P 4.0818 0.0000 0.0000 63.8319 31.7408 177.2719 *91 F 4.8048 8.1458 122.1838 58.4163 40.6377 178.0887 92 L 3.6954 7.6795 117.0022 55.3279 41.2948 178.1831 *94 E 4.3742 8.3632 119.8100 56.7568 31.2161 179.6254 95 Q 4.1932 7.3693 116.6248 56.0611 28.2307 178.4548 *97 E 4.2676 8.4025 118.7231 56.6329 31.7410 178.4309 98 L 4.1204 8.3538 118.8114 58.0705 41.7310 179.2598 99 R 3.9565 8.2962 118.8334 59.9262 29.5912 178.2429 100 E 4.0890 7.9289 116.6756 59.2787 29.9304 178.1068 101 E 3.9870 8.6033 119.7112 59.2634 29.7025 178.2600 102 L 2.9266 8.0362 120.2618 58.3195 41.8026 179.1143 103 E 4.1687 7.5979 115.7943 58.9570 29.4139 178.6002 104 S 4.5184 7.8854 113.0768 58.5322 63.4829 175.9956 105 V 3.7571 7.9417 117.8552 64.1071 32.4393 177.0277 106 T 4.5558 7.7364 107.2470 59.6176 66.3636 173.2614 107 A 4.9046 7.4693 135.0000 53.9820 20.4017 176.9931 108 C 4.0653 7.8289 112.9879 59.8218 28.8258 174.3156 109 A 4.0679 8.5984 123.1992 55.2625 18.2823 179.1911 110 D 4.7803 7.6085 117.4110 51.5402 39.2668 174.1763 111 P 4.2304 0.0000 0.0000 65.3451 31.7981 177.3821 112 E 4.0565 8.1381 115.2358 58.9081 29.9478 178.6665 113 A 4.0423 8.0089 121.2252 54.5959 18.4811 179.3593 114 A 3.9246 8.9114 120.6764 55.2460 18.4486 179.4879 115 L 3.9230 8.2220 119.3102 58.5049 42.2100 179.3656 116 V 3.5937 8.0397 117.7964 65.9450 31.1015 177.7745 117 A 4.1325 7.9891 120.4623 54.4995 18.1962 179.5000 118 F 4.0649 8.5485 119.8010 61.5884 39.5657 176.8414 119 D 4.3608 8.5699 118.0087 57.6665 40.8183 178.1416 120 T 3.8636 7.7564 115.9015 66.7956 68.3244 176.6077 121 K 3.9562 7.4414 118.7773 59.7942 32.7734 179.0104 122 V 3.5770 7.5940 118.9622 66.1170 31.7023 177.9185 123 T 4.0483 8.3279 115.5737 66.2468 68.0632 176.2959 124 A 4.2088 7.4201 120.2960 52.6384 18.0504 178.9178 *126 Q 4.3005 7.9692 122.1846 57.7393 31.0427 177.0820 127 R 3.9241 8.1628 117.4390 60.1230 29.9978 178.1274 128 H 4.2429 8.4347 116.0421 59.0342 28.5280 177.5459 129 Y 4.1620 7.8603 118.0950 60.9366 37.8125 177.8510 130 L 4.0432 8.5007 120.1745 57.7860 41.8781 179.3846 131 A 4.0004 8.3828 120.8334 55.4821 18.5102 179.4880 132 Q 3.9225 8.0926 116.3989 59.2690 28.8124 179.2913 133 L 3.8582 8.1675 121.5009 57.8914 42.1530 178.8923 134 Q 3.7406 8.1380 119.8617 59.0844 29.1097 178.2803 135 G 3.6345 7.8725 106.4863 47.8757 0.0000 175.7161 136 Q 3.9735 7.8545 119.9030 58.8256 28.9080 178.5514 137 L 3.8765 7.8000 119.6849 57.7633 41.3377 179.2898 138 A 3.9825 7.4142 119.3890 55.1923 18.3871 179.2244 139 Q 4.1374 7.6611 115.3479 55.8964 29.9334 175.6178 140 S 2.7900 7.0351 110.8716 58.8563 61.3880 174.1874 141 E 4.1206 6.9812 119.7502 54.0425 26.9868 175.7298 142 W 4.5274 7.2694 123.2650 59.9877 29.8445 177.8003 143 L 4.1282 8.0860 117.9670 57.5679 41.0748 179.3297 144 A 3.9486 7.9809 120.2283 54.9907 18.4119 179.3091 145 A 3.8686 7.8151 118.5408 55.4053 18.5862 179.6680 146 A 4.1729 8.7015 119.5112 55.2959 18.2204 179.4842 147 D 4.1787 7.9571 116.4949 57.5693 41.3712 178.3461 148 Q 3.8978 8.0322 118.5751 58.9461 28.8131 178.9329 149 I 3.7045 8.2138 121.0325 64.6033 36.8483 178.7298 150 R 3.9844 7.8622 118.5651 59.1666 29.9541 179.1534 151 K 3.6092 8.0277 118.4901 59.5143 31.8926 179.2891 152 L 4.1084 7.9334 118.4268 56.9641 41.4855 179.6512 153 K 3.9817 7.8959 118.8348 59.3038 31.9561 179.1098 154 F 3.9984 8.1853 117.6269 60.8155 38.9686 177.7131 155 I 3.8087 7.9865 118.9486 64.2732 36.8615 178.2942 156 A 4.0062 8.3203 121.6898 55.2995 18.1681 179.7013 157 K 3.8680 7.9657 116.8269 59.7271 32.0999 179.3717 158 L 4.0841 8.0661 120.4331 57.7485 41.9590 179.0230 159 K 3.9973 8.1453 119.9545 59.5234 32.1339 178.2682 160 N 4.3364 8.3352 117.2591 56.7542 38.6379 176.4263 161 E 4.0907 8.0173 120.1120 58.6544 29.6568 179.2179 162 V 3.7190 7.7894 119.0745 64.3815 31.7014 178.4383 163 E 3.9079 8.2763 119.2592 59.3448 29.1687 178.8785 164 R 3.8750 7.8900 117.5901 59.9206 30.3175 178.2817 165 V 4.0111 7.9264 119.2155 65.1930 31.4080 177.5891 166 E 3.9720 8.4760 119.7836 59.3802 29.2260 178.5799 167 D 4.4450 7.9935 118.0265 56.9686 40.8458 178.5085 168 Q 4.1366 7.7995 118.5613 59.1089 28.5071 178.2447 169 L 4.0367 8.0310 118.1395 57.7226 41.8480 177.1291 170 L 4.1007 7.6574 122.2994 54.9838 41.3155 177.3369 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 N 8.28 4.82 0.00 3.12 3.13 0.00 0.00 6.14 6.68 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 3 Y 8.33 4.36 0.00 2.67 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 4 F 10.50 4.38 0.00 3.31 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.33 4.01 0.00 2.31 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 2.52 2.60 0.00 6 L 7.72 4.10 0.00 2.16 1.52 1.11 0.85 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 7 F 7.77 4.68 0.00 3.24 3.21 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 8 G 9.13 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 0.00 0.00 0.00 9 L 8.15 4.84 0.00 2.08 1.91 0.97 0.93 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 10 P 0.00 4.63 0.00 2.06 2.01 0.00 3.58 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 1.94 2.11 0.00 11 I 7.81 2.69 1.72 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 1.38 0.42 0.81 0.00 0.00 12 Q 6.60 4.57 0.00 2.27 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.07 0.00 0.00 0.00 0.00 0.00 2.14 2.46 0.00 13 F 9.12 4.34 0.00 3.06 3.21 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 14 E 8.15 4.13 0.00 2.02 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 2.38 2.75 0.00 15 L 7.82 4.29 0.00 1.62 1.43 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.71 4.55 0.00 2.78 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 17 G 8.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.38 4.44 0.00 4.12 4.15 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 19 L 8.09 4.10 0.00 2.03 1.77 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.99 4.19 0.00 1.83 1.81 0.33 0.48 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 21 S 8.00 4.42 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 22 S 8.20 4.32 0.00 4.05 4.33 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 23 Q 8.00 4.06 0.00 2.54 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 24 F 8.65 4.54 0.00 3.36 3.26 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 25 R 8.21 3.75 0.00 1.95 1.84 0.00 3.17 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.85 0.00 26 A 7.71 4.01 1.34 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 0.00 0.00 27 L 7.50 4.00 0.00 1.63 1.66 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.80 3.84 0.00 1.27 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 29 K 7.34 3.81 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.38 7.81 30 R 7.64 3.90 0.00 1.73 2.04 0.00 3.08 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 31 F 8.19 4.86 0.00 3.16 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 32 H 7.56 4.22 0.00 3.54 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.41 0.00 2.19 2.09 0.00 3.26 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 34 D 8.32 4.56 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 35 N 7.94 4.56 0.00 2.52 2.38 0.00 0.00 6.77 7.83 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 36 F 8.09 4.74 0.00 3.16 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 37 A 8.32 4.13 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 38 T 7.72 4.48 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 39 A 7.88 4.33 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 40 S 8.41 4.34 0.00 4.08 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 41 E 8.85 3.90 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 42 R 7.85 4.00 0.00 2.00 2.05 0.00 3.10 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 43 D 7.44 4.47 0.00 3.06 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 44 R 7.80 4.07 0.00 1.85 2.00 0.00 3.19 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 45 L 7.43 3.99 0.00 1.88 1.66 0.91 0.98 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 *47 A 8.13 4.07 0.48 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 0.00 0.00 48 V 7.67 3.69 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 49 Q 7.91 3.84 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 50 Q 8.00 3.96 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 51 A 7.83 4.04 1.47 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 0.00 0.00 0.00 52 A 7.72 3.95 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 53 Q 8.50 3.90 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 54 I 7.55 3.87 1.87 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 1.11 0.00 0.00 55 N 7.89 4.50 0.00 2.93 2.90 0.00 0.00 7.01 7.74 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 56 D 8.36 4.15 0.00 2.61 2.61 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 0.00 0.00 0.00 0.00 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0.00 *91 F 8.15 4.80 0.00 3.06 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.68 3.70 0.00 1.87 1.66 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *94 E 8.36 4.37 0.00 1.96 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 2.27 2.30 0.00 95 Q 7.37 4.19 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.39 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 *97 E 8.40 4.27 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 98 L 8.35 4.12 0.00 1.89 1.99 0.87 0.77 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 R 8.30 3.96 0.00 2.08 2.01 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 100 E 7.93 4.09 0.00 2.16 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 2.30 2.36 0.00 101 E 8.60 3.99 0.00 2.10 2.34 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0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.98 3.95 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 0.00 145 A 7.82 3.87 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.70 4.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.96 4.18 0.00 2.97 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 0.00 148 Q 8.03 3.90 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 149 I 8.21 3.70 2.05 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 1.57 1.08 0.94 0.00 0.00 150 R 7.86 3.98 0.00 1.97 2.05 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.06 0.00 151 K 8.03 3.61 0.00 1.34 0.88 0.00 1.36 0.00 0.00 1.30 0.00 0.00 2.43 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.67 7.81 152 L 7.93 4.11 0.00 1.91 1.75 1.02 1.06 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 0.00 153 K 7.90 3.98 0.00 2.10 1.78 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 154 F 8.19 4.00 0.00 3.54 3.21 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 0.00 155 I 7.99 3.81 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.34 1.00 0.00 0.00 156 A 8.32 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.97 3.87 0.00 1.94 1.86 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.52 7.81 158 L 8.07 4.08 0.00 1.89 1.94 1.21 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.15 4.00 0.00 2.04 2.03 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.52 7.81 160 N 8.34 4.34 0.00 2.81 2.98 0.00 0.00 7.28 7.15 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 0.00 161 E 8.02 4.09 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 2.60 2.48 0.00 162 V 7.79 3.72 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 1.28 0.00 0.00 1.04 0.00 0.00 163 E 8.28 3.91 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 164 R 7.89 3.87 0.00 1.94 2.08 0.00 3.51 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 165 V 7.93 4.01 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 1.15 0.00 0.00 0.90 0.00 0.00 166 E 8.48 3.97 0.00 2.24 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 2.32 2.37 0.00 167 D 7.99 4.45 0.00 2.85 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 0.00 168 Q 7.80 4.14 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 169 L 8.03 4.04 0.00 1.78 1.70 0.96 0.98 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 0.00 170 L 7.66 4.10 0.00 1.78 1.60 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.