NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.8128 8.4249 119.7102 52.7079 38.0791 172.6591 -4 L 4.6808 8.0673 123.1464 52.3034 44.7844 174.3163 -3 Y 4.7285 8.6868 119.1535 56.1693 41.3666 174.5801 -2 F 5.1824 8.4408 124.5673 56.6999 41.9915 174.0903 -1 Q 3.0153 9.4201 128.2845 56.9052 26.7361 173.1644 0 G 3.7026 7.9740 100.1922 45.6643 0.0000 173.3244 -3 Q 4.5185 8.8868 118.6535 53.9693 32.9666 174.6801 -2 I 4.7324 8.1408 124.1673 60.0999 41.1915 174.6902 -1 R 3.0153 9.3301 128.9845 57.2052 28.2361 173.4644 0 L 4.0826 7.8040 113.1922 55.6643 37.9139 176.0244 6 A 4.2116 8.3761 125.3443 52.1479 19.1491 177.2870 7 F 4.6893 9.2587 119.4714 55.3812 41.0346 175.6522 8 P 4.2365 0.0000 0.0000 65.8516 31.2283 177.8716 9 N 4.7054 8.1852 112.0902 53.6539 37.4306 175.5361 10 E 4.4489 8.4088 118.7517 56.6095 29.5096 177.3592 11 I 3.5986 7.3812 120.0298 64.4941 38.0536 177.2327 12 D 4.4638 7.9415 117.8958 57.3339 41.0895 178.2164 13 Q 4.2127 8.0099 118.1224 58.8535 28.7457 179.7431 14 I 3.9900 7.8088 119.4279 61.4883 37.0293 178.1607 *16 L 4.2411 7.9076 121.5515 54.8633 43.7043 179.1981 17 L 3.9927 7.8075 119.2282 58.1962 41.9556 178.9270 18 I 3.8035 8.0877 120.1845 64.6659 37.0352 178.3343 19 E 4.0953 8.1220 118.7836 59.2474 29.3388 179.0497 20 E 3.9710 8.4176 118.5156 59.4517 29.5097 179.2712 21 A 4.0407 8.4055 121.0016 55.1381 18.5663 179.5566 22 R 4.0469 8.7835 117.4996 59.7414 29.9543 178.6746 23 A 4.0728 7.9470 119.5212 55.0698 18.4603 179.2305 24 E 4.0546 8.2191 117.2575 59.6007 29.5833 179.3742 25 I 3.5810 8.0735 120.0371 64.4839 37.1423 178.2936 26 A 4.0323 7.8821 121.1422 55.0396 17.9687 179.7564 27 K 4.0225 7.6641 116.2951 59.1691 32.1543 178.6724 28 T 4.2220 7.7436 108.3347 61.8555 69.2690 175.8053 29 G 3.9160 7.9426 110.2015 45.3761 0.0000 173.9382 30 S 4.2064 7.3743 114.4390 58.1752 63.0479 173.4339 31 D 4.6892 8.4260 123.8001 53.0082 39.8669 175.8284 32 Q 4.2711 7.7405 122.3596 57.7448 29.0824 176.1079 33 W 4.4541 9.3342 122.7678 57.8491 26.5228 174.4052 34 Q 4.6313 8.3561 115.3825 55.6461 28.7049 175.8970 35 K 4.4530 7.9100 121.0081 55.7525 33.3991 178.2718 36 E 4.0919 8.7442 116.6255 59.0441 29.6334 178.7059 37 D 4.4531 8.1078 116.1605 54.4843 39.5329 177.3888 38 G 3.8951 8.2804 107.8140 45.6284 0.0000 173.2191 39 Y 4.1470 8.5436 122.5386 56.7854 39.2509 173.4379 40 P 3.8825 0.0000 0.0000 61.8823 32.2550 175.9442 41 N 4.7740 9.0626 121.4475 50.7788 40.9908 175.4427 42 R 3.7768 8.2616 118.6755 59.9046 29.9397 178.0538 43 N 4.3364 8.1403 115.6445 56.2820 38.5798 176.8880 44 D 4.3889 8.5529 120.4476 57.5783 40.9350 179.0379 45 I 3.7813 7.6850 120.2062 64.2912 37.0599 178.5059 46 I 3.7022 8.0940 121.1314 64.4851 36.8634 178.1312 47 D 4.3619 8.3070 119.7515 57.5132 40.5611 178.5363 48 D 4.5026 8.2026 119.2906 57.5260 40.8247 179.0910 49 I 3.6971 7.9768 120.2172 64.3058 36.9170 178.4097 50 L 3.9410 8.0324 119.0672 57.8315 41.5951 178.8202 51 N 4.3185 8.1231 114.0386 53.2711 38.4787 176.0437 52 G 3.8295 7.3341 108.0188 46.2461 0.0000 174.0843 53 Y 5.0739 8.3976 119.3696 58.6006 39.6855 175.3822 54 A 4.6664 8.0690 122.1203 51.2733 19.7445 176.4657 55 W 5.3548 9.1854 122.9928 55.2624 32.5283 175.5296 56 V 4.9256 8.6278 114.8451 59.5635 35.4225 174.9551 57 G 4.2682 8.1150 109.1215 43.5731 0.0000 172.0065 58 I 4.7436 8.3257 125.0771 59.2431 39.4273 174.6834 59 E 4.4254 8.2348 127.2341 55.3176 31.7945 174.8914 60 D 4.3394 9.8679 126.5485 55.5354 39.0248 173.1475 61 G 3.4280 8.0264 99.8890 46.1661 0.0000 175.3820 *63 L 3.8930 7.5841 117.8942 54.9183 42.8750 175.0502 64 A 4.7540 8.7124 128.9634 52.5766 21.5180 175.9766 65 T 5.0062 7.2857 103.6308 60.4901 72.6916 172.4863 66 Y 5.2041 8.8248 122.3473 56.4565 42.8428 173.5459 67 A 5.0663 8.4790 125.1178 50.7976 23.4722 174.7313 68 A 5.0780 9.0046 122.3725 50.5944 21.0507 176.5013 69 V 4.8664 9.0065 122.4040 61.1686 34.4363 174.2858 70 I 4.3686 8.7188 128.7443 59.3506 40.2956 174.0097 71 D 4.8564 9.5145 127.1832 52.5759 41.7150 176.0955 72 G 3.9312 7.1678 117.0019 46.1563 0.0000 170.7181 73 H 4.1921 8.0375 123.8442 53.8130 32.9051 172.6064 74 E 4.3725 8.4823 126.0315 54.5122 30.4040 176.6579 75 E 4.0417 8.7844 124.8462 59.6136 29.5895 179.6081 76 V 3.7961 7.7557 117.4307 65.9494 31.5088 177.4256 77 Y 4.7931 8.0181 116.3052 60.9223 37.4534 177.6949 78 D 4.7440 8.2702 118.7307 56.1741 40.8920 176.5829 79 A 4.6342 7.7078 121.7141 51.6977 18.9621 176.9415 80 I 3.8748 7.3556 118.9898 63.0236 38.3972 174.6568 81 Y 4.7716 8.3818 123.9775 55.7368 41.3341 173.9655 82 E 3.8446 9.3165 116.4007 55.5319 27.1217 175.2266 83 G 4.0310 7.1573 103.9557 45.7758 0.0000 172.1764 84 K 4.1424 7.0411 116.9000 55.4406 34.6978 175.1457 85 W 4.3411 8.2082 119.9664 56.1819 29.7570 176.7765 86 L 4.1574 9.1639 121.4025 58.0274 41.1678 177.2966 87 H 4.9031 7.6640 110.7084 54.8822 30.9706 172.0936 88 D 4.9261 8.4291 117.4770 53.7080 41.4683 175.8243 89 N 4.4592 8.4303 115.1615 53.6043 39.4740 174.1969 90 H 4.3675 8.8825 123.8669 58.0517 30.3769 175.0950 91 R 4.5418 8.2331 120.0287 54.4272 31.6882 174.8189 92 Y 4.6975 7.8527 123.1409 56.2160 42.4657 172.9350 93 L 4.9417 8.5778 119.7023 53.6009 43.6213 176.2512 94 T 5.1013 8.8692 120.0906 61.7862 72.0354 172.8365 95 F 5.6103 8.4486 123.7401 56.4815 40.8078 174.8956 96 H 5.1568 9.1140 119.5810 53.8030 33.6195 173.0785 97 R 4.4266 9.0491 114.9728 57.6072 27.4242 177.0048 98 I 4.5856 8.3389 117.7959 61.3016 38.2353 176.1181 99 A 4.9441 9.5990 128.8840 50.2311 22.1996 174.5723 100 I 4.8018 8.4185 122.8583 59.0569 39.9901 175.5440 101 S 4.3817 8.8664 122.8739 59.1054 62.3932 173.9183 102 N 4.8016 8.9874 124.3232 53.8356 38.3332 176.7285 103 Q 4.0618 8.1723 116.9733 57.1007 28.5570 182.0570 104 F 4.8124 8.0903 118.4206 57.0475 38.4758 176.0640 105 R 4.1678 8.1747 123.2034 58.9930 30.3278 179.8651 106 G 3.9050 8.0430 104.8710 45.7167 0.0000 175.8701 107 R 4.1480 8.4050 120.2819 56.8261 30.0830 178.7012 108 G 3.9735 7.8554 104.6439 48.2810 0.0000 175.6902 109 L 4.0801 8.0125 121.1612 56.9967 41.5961 179.3757 110 A 4.1157 7.9339 120.3266 55.3826 18.3828 179.5231 111 Q 3.9828 8.3528 116.6655 59.3878 28.6882 179.2268 112 T 4.1433 8.0425 116.7484 66.6085 68.4665 176.4339 113 F 4.3589 8.5619 122.6845 61.5635 39.4194 177.2402 114 L 3.4724 8.1750 118.8194 57.4824 41.3567 179.2071 115 Q 3.8004 8.4179 120.1348 59.0260 28.9151 178.6654 116 G 3.0496 7.8271 106.8549 47.5186 0.0000 175.6290 117 L 3.4974 7.2959 120.5149 57.3378 41.6525 179.4407 118 I 3.4271 7.6034 119.8181 64.2741 36.7359 178.3654 119 E 3.9570 8.0181 118.8045 59.1442 29.3553 179.0916 120 G 3.6826 7.9356 103.4131 45.2391 0.0000 173.0904 121 H 4.9926 7.1906 117.9738 53.4704 31.5820 174.1446 122 K 4.1118 8.8743 124.3976 58.4429 33.4583 178.5870 123 G 3.5043 7.4730 105.5633 46.4368 0.0000 172.3551 124 P 4.8560 0.0000 0.0000 61.8632 32.6379 173.0058 125 D 5.1600 7.6469 121.6671 53.0897 42.8997 174.6610 126 F 5.0462 9.0830 125.4330 55.6934 42.1325 174.9714 127 R 5.3099 9.0344 121.5245 55.0543 34.5486 173.7492 128 C 5.1733 8.7921 119.3050 58.7066 35.3899 172.2849 129 D 5.6282 8.8161 122.2661 52.3040 42.6189 173.9801 130 T 4.8231 8.9417 113.5091 60.7660 71.8677 172.4934 131 H 4.6355 8.7966 123.5792 55.6822 30.5840 175.8937 132 E 3.9824 8.6161 124.3793 59.3686 29.3778 178.3555 133 K 4.2395 8.2951 115.2141 57.1629 32.9976 177.0173 134 N 4.6037 7.7674 120.2107 52.0811 37.3189 174.6764 135 V 3.7107 7.5071 121.8742 65.9935 32.6600 178.2039 136 T 4.0127 7.7965 112.4070 64.7458 68.0470 175.5436 *138 Q 3.9076 8.1535 122.8252 56.2564 30.8565 177.1310 139 H 4.0537 8.5390 117.2131 59.2889 29.8562 177.2444 140 I 3.6470 7.7662 121.5555 64.5065 36.9339 178.4242 141 L 3.6839 7.5238 119.1298 57.5253 41.3827 178.8817 142 N 4.3443 8.1060 116.9829 56.8112 38.7117 177.1349 143 K 4.0115 8.0024 118.7484 59.1392 32.2075 178.5661 144 L 4.3648 7.8334 116.9300 55.1605 41.8313 177.7186 145 G 3.9647 7.9462 107.5550 45.2468 0.0000 173.3252 146 Y 4.4129 8.1093 116.7692 57.8919 38.9066 175.1335 147 Q 4.7574 9.2245 122.0463 54.1735 31.5108 174.5782 148 Y 3.7093 8.7094 125.3224 58.1277 39.5087 175.6956 149 C 3.9618 8.9007 124.0548 58.6307 31.2106 174.5210 150 G 3.4435 5.3800 103.5418 45.1555 0.0000 170.4830 151 K 4.7591 7.2588 118.8029 54.4641 34.2783 175.9562 152 V 4.8496 8.4028 115.4259 59.1206 35.3165 174.3562 153 P 5.1802 0.0000 0.0000 60.8839 29.9895 175.0674 154 L 4.5443 7.6147 120.9290 54.7839 44.3928 175.3852 155 D 4.3706 10.0103 127.2078 55.1996 41.3390 173.8729 156 G 3.9637 9.1241 111.1658 44.4817 0.0000 175.0635 157 V 4.8998 8.7207 115.1441 61.0824 35.2644 174.3212 158 R 4.9289 9.0283 124.9374 54.3618 34.7433 174.1953 159 L 4.8697 9.1265 122.3485 54.0472 43.3411 175.5132 160 A 5.0511 8.7062 126.4161 50.4362 21.3875 175.1663 161 Y 5.1815 9.1584 119.0941 56.3035 42.5764 174.4756 162 Q 5.1694 9.3574 122.7507 54.4463 33.2085 173.3912 163 K 4.5963 9.0735 126.9190 54.5199 35.3576 174.5280 164 I 4.7679 8.1513 127.9312 59.3174 38.4895 175.3697 165 K 3.9659 9.3134 133.0539 57.0592 32.7246 176.8669 166 E 4.4036 8.8859 126.5634 54.9743 29.9114 173.5072 167 K 4.2754 8.4782 125.4243 53.8247 31.9218 173.7865 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 -5 N 8.42 4.81 0.00 2.53 2.72 0.00 0.00 6.58 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 8.07 4.68 0.00 1.77 1.68 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.69 4.73 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 F 8.44 5.18 0.00 2.91 2.97 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 -1 Q 9.42 3.02 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.66 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 0 G 7.97 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 -3 Q 8.89 4.52 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 -2 I 8.14 4.73 1.87 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 1.43 1.79 0.91 0.00 0.00 -1 R 9.33 3.02 0.00 1.75 1.67 0.00 2.21 0.00 0.00 3.34 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 0 L 7.80 4.08 0.00 1.52 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.38 4.21 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 7 F 9.26 4.69 0.00 3.07 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 8 P 0.00 4.24 0.00 2.21 2.13 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 9 N 8.19 4.71 0.00 2.82 2.92 0.00 0.00 5.99 7.66 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 10 E 8.41 4.45 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 2.34 2.42 0.00 11 I 7.38 3.60 1.85 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 1.49 0.57 0.92 0.00 0.00 12 D 7.94 4.46 0.00 2.68 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 13 Q 8.01 4.21 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.21 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 14 I 7.81 3.99 1.84 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 1.55 0.71 0.24 0.00 0.00 *16 L 7.91 4.24 0.00 1.91 1.76 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.81 3.99 0.00 1.79 1.86 0.99 1.27 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 18 I 8.09 3.80 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.35 0.65 0.00 0.00 19 E 8.12 4.10 0.00 1.98 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 2.37 2.33 0.00 20 E 8.42 3.97 0.00 2.24 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 2.35 2.49 0.00 21 A 8.41 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.78 4.05 0.00 2.27 2.23 0.00 3.18 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.05 0.00 23 A 7.95 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 24 E 8.22 4.05 0.00 2.12 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 2.54 2.50 0.00 25 I 8.07 3.58 1.92 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.84 0.00 0.00 26 A 7.88 4.03 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 27 K 7.66 4.02 0.00 1.87 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 28 T 7.74 4.22 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 1.17 0.00 0.00 29 G 7.94 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 30 S 7.37 4.21 0.00 3.66 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 31 D 8.43 4.69 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 32 Q 7.74 4.27 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.31 0.00 0.00 0.00 0.00 0.00 1.90 2.47 0.00 33 W 9.33 4.45 0.00 3.50 3.28 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 34 Q 8.36 4.63 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 35 K 7.91 4.45 0.00 2.09 1.79 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.46 7.81 36 E 8.74 4.09 0.00 1.98 1.88 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 2.23 1.88 0.00 37 D 8.11 4.45 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.28 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.54 4.15 0.00 3.04 2.97 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 40 P 0.00 3.88 0.00 1.43 0.93 0.00 2.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 41 N 9.06 4.77 0.00 2.88 3.09 0.00 0.00 6.21 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 42 R 8.26 3.78 0.00 1.83 1.93 0.00 3.15 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 43 N 8.14 4.34 0.00 2.93 2.85 0.00 0.00 7.12 8.08 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 44 D 8.55 4.39 0.00 2.71 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 45 I 7.68 3.78 1.72 0.00 0.00 0.52 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.07 4.67 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 55 W 9.19 5.35 0.00 3.24 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 56 V 8.63 4.93 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 0.90 0.00 0.00 0.99 0.00 0.00 57 G 8.12 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 0.00 0.00 0.00 0.00 58 I 8.33 4.74 1.84 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 1.20 0.97 0.92 0.00 0.00 59 E 8.23 4.43 0.00 1.47 1.12 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 1.84 2.31 0.00 60 D 9.87 4.34 0.00 3.04 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 61 G 8.03 3.43 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 0.00 *63 L 7.58 3.89 0.00 1.78 1.69 1.02 1.07 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 64 A 8.71 4.75 0.64 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 0.00 0.00 65 T 7.29 5.01 3.50 0.00 0.00 0.00 0.00 0.00 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 66 Y 8.82 5.20 0.00 3.08 2.84 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 67 A 8.48 5.07 1.12 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 0.00 0.00 68 A 9.00 5.08 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 69 V 9.01 4.87 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.38 0.00 0.00 70 I 8.72 4.37 1.68 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.24 0.58 0.00 0.00 71 D 9.51 4.86 0.00 2.66 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 72 G 7.17 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 0.00 0.00 0.00 73 H 8.04 4.19 0.00 2.67 2.95 0.00 5.90 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 74 E 8.48 4.37 0.00 1.32 1.23 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 2.00 1.65 0.00 75 E 8.78 4.04 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 76 V 7.76 3.80 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 1.23 0.00 0.00 0.97 0.00 0.00 77 Y 8.02 4.79 0.00 3.31 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 78 D 8.27 4.74 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.71 4.63 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 80 I 7.36 3.87 1.71 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.47 0.75 0.00 0.00 81 Y 8.38 4.77 0.00 3.05 2.93 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 82 E 9.32 3.84 0.00 1.76 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 2.27 2.47 0.00 83 G 7.16 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 0.00 0.00 0.00 84 K 7.04 4.14 0.00 1.76 1.64 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.34 7.81 85 W 8.21 4.34 0.00 3.22 3.20 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 86 L 9.16 4.16 0.00 1.64 1.74 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.66 4.90 0.00 3.17 3.25 0.00 5.69 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 88 D 8.43 4.93 0.00 2.71 2.73 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 89 N 8.43 4.46 0.00 2.78 2.86 0.00 0.00 7.15 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.88 4.37 0.00 3.10 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.23 4.54 0.00 1.76 1.71 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 92 Y 7.85 4.70 0.00 2.97 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 93 L 8.58 4.94 0.00 1.03 1.43 0.48 0.85 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 94 T 8.87 5.10 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 1.22 0.00 0.00 95 F 8.45 5.61 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 9.11 5.16 0.00 3.16 3.35 0.00 5.77 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.17 4.17 0.00 1.74 1.92 0.00 3.25 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 106 G 8.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.40 4.15 0.00 2.12 2.17 0.00 3.23 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 108 G 7.86 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 0.00 109 L 8.01 4.08 0.00 1.80 1.73 0.99 0.48 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 0.00 110 A 7.93 4.12 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 0.00 111 Q 8.35 3.98 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 112 T 8.04 4.14 4.52 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 1.44 0.00 0.00 113 F 8.56 4.36 0.00 3.04 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 0.00 114 L 8.18 3.47 0.00 1.70 1.73 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.42 3.80 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.88 2.22 0.00 116 G 7.83 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 0.00 0.00 0.00 117 L 7.30 3.50 0.00 1.15 1.09 -0.63 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.60 3.43 1.63 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 0.38 0.62 0.19 0.00 0.00 119 E 8.02 3.96 0.00 1.73 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 2.12 1.78 0.00 120 G 7.94 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 0.00 121 H 7.19 4.99 0.00 3.37 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.87 4.11 0.00 1.90 1.81 0.00 1.97 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.01 7.81 123 G 7.47 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.86 0.00 2.15 2.31 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 125 D 7.65 5.16 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.08 5.05 0.00 2.73 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 0.00 127 R 9.03 5.31 0.00 1.53 1.53 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.04 0.00 128 C 8.79 5.17 0.00 2.83 2.52 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 0.00 129 D 8.82 5.63 0.00 2.89 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 0.00 130 T 8.94 4.82 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 1.27 0.00 0.00 131 H 8.80 4.64 0.00 3.30 3.11 0.00 5.74 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.62 3.98 0.00 1.96 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 2.28 2.30 0.00 133 K 8.30 4.24 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.52 7.81 134 N 7.77 4.60 0.00 2.64 2.72 0.00 0.00 7.08 7.32 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 0.00 135 V 7.51 3.71 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.91 0.00 0.00 136 T 7.80 4.01 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 *138 Q 8.15 3.91 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 139 H 8.54 4.05 0.00 3.29 3.47 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 0.00 140 I 7.77 3.65 1.80 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 1.54 0.53 0.88 0.00 0.00 141 L 7.52 3.68 0.00 1.07 1.01 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.11 4.34 0.00 2.84 2.92 0.00 0.00 7.23 6.04 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 0.00 143 K 8.00 4.01 0.00 1.87 1.97 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.53 7.81 144 L 7.83 4.36 0.00 2.02 1.85 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.95 3.96 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 0.00 0.00 0.00 146 Y 8.11 4.41 0.00 2.96 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 0.00 147 Q 9.22 4.76 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 148 Y 8.71 3.71 0.00 2.70 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 0.00 149 C 8.90 3.96 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 5.38 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.26 4.76 0.00 0.79 1.12 0.00 1.44 0.00 0.00 1.52 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.17 7.81 152 V 8.40 4.85 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 0.75 0.00 0.00 1.13 0.00 0.00 153 P 0.00 5.18 0.00 2.23 2.15 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 154 L 7.61 4.54 0.00 1.71 1.71 0.95 1.52 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 0.00 155 D 10.01 4.37 0.00 2.81 2.73 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 0.00 156 G 9.12 3.96 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 0.00 0.00 0.00 157 V 8.72 4.90 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 0.88 0.00 0.00 1.02 0.00 0.00 158 R 9.03 4.93 0.00 1.82 1.86 0.00 3.46 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 159 L 9.13 4.87 0.00 1.79 1.75 0.89 0.61 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 0.00 160 A 8.71 5.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 9.16 5.18 0.00 3.03 2.98 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 0.00 162 Q 9.36 5.17 0.00 2.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 163 K 9.07 4.60 0.00 0.79 0.74 0.00 1.19 0.00 0.00 0.90 0.00 0.00 2.52 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.97 1.05 7.81 164 I 8.15 4.77 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.92 0.00 0.00 165 K 9.31 3.97 0.00 1.85 1.86 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.31 7.81 166 E 8.89 4.40 0.00 2.02 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 2.15 1.85 0.00 167 K 8.48 4.28 0.00 1.76 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.