NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 E 4.4272 8.4444 118.6634 55.8216 32.7399 174.7708 18 V 4.4143 7.8034 118.8028 61.9661 34.2506 172.5291 19 H 5.3512 10.0525 127.4908 54.8413 30.6081 174.2048 20 V 4.9673 9.0545 123.9267 61.0367 34.6348 173.9736 21 L 4.9881 8.7199 127.2223 53.3247 44.0476 174.8662 22 C 4.9746 8.8802 124.6976 57.8436 33.1611 172.4322 23 L 4.1600 9.5049 126.0613 52.1935 45.7608 175.6188 24 G 4.1540 7.5297 105.8417 43.6601 0.0000 172.9996 25 L 4.7883 8.0060 121.1124 53.8620 42.2745 176.7414 26 D 4.3587 8.4420 119.6184 54.9636 39.6811 176.4900 27 N 4.4343 8.8739 118.0665 54.3662 37.4615 175.0442 28 S 4.2496 7.7201 112.8185 60.0403 63.6296 175.0505 29 G 4.1572 8.6322 108.7359 45.4229 0.0000 175.2525 30 K 3.8149 8.5060 120.5025 60.0031 31.9277 179.2099 31 T 4.1036 7.6939 116.3823 66.2098 68.5661 176.7914 32 T 3.8204 7.8680 117.2755 66.7493 68.2827 176.4339 33 I 3.5659 7.7083 120.5136 64.3907 37.2771 178.2858 34 I 3.8068 7.7197 120.5922 64.3264 36.9275 177.8331 35 N 4.2401 8.3126 118.0869 56.8034 38.5151 176.7988 36 K 4.0333 7.7267 119.1750 59.0523 32.3508 178.3166 37 L 4.2075 7.5004 117.9922 55.5997 41.8841 177.4837 38 K 4.3287 7.0545 118.2570 54.7841 33.0920 175.1241 39 P 4.3912 0.0000 0.0000 62.7246 32.1329 177.5193 40 S 4.1789 9.1313 119.6007 62.8581 62.3146 177.4544 41 N 4.3613 8.2305 120.7980 56.5160 37.3889 177.5840 42 A 4.5545 7.7791 118.9794 51.8743 19.6408 177.3441 43 Q 4.3281 7.2458 117.1113 55.1187 29.6474 175.9545 44 S 4.4079 9.6827 118.3182 58.1460 63.1396 173.8530 45 Q 4.3191 8.5375 124.0729 56.2080 29.7633 175.2748 46 N 4.7704 7.9242 113.9972 51.3109 39.4353 173.0885 47 I 4.2015 8.1264 124.0604 59.8442 38.1043 175.8404 48 L 4.7663 8.1035 124.8532 51.6762 44.2667 174.4529 49 P 4.2523 0.0000 0.0000 63.4180 31.6992 176.6866 50 T 3.8750 8.4243 119.3018 63.6474 68.8733 174.4884 51 I 3.8081 8.1515 127.6113 60.4437 36.4158 174.5629 52 G 3.2024 7.5853 117.3241 44.4424 0.0000 172.5696 53 F 5.2437 6.8641 113.4605 55.7501 41.4624 173.4983 54 S 4.7123 9.2049 114.2475 56.8102 67.4781 173.3012 55 I 4.7042 8.2034 121.6240 59.6832 39.0945 175.0480 56 E 4.8129 9.0237 125.9415 54.3622 33.4481 174.9848 57 K 5.5760 8.7994 120.0888 53.9765 35.2896 175.2509 *58 F 5.0041 8.5474 117.1832 55.3226 41.8859 173.0308 59 K 4.9212 8.6823 118.9683 55.8525 35.5745 177.9897 60 S 4.9836 8.6465 124.6942 57.9534 63.8689 173.4946 61 S 4.4642 9.0293 112.7875 62.8990 62.0681 173.2948 62 S 4.6677 7.9292 114.8673 58.1478 63.5326 174.1469 63 L 4.5282 7.7656 119.9645 53.0377 44.5164 177.5700 64 S 4.7745 8.1103 117.4313 55.7532 64.7471 172.4664 65 F 5.5350 8.7413 125.6966 56.1144 41.8785 174.6096 66 T 4.9476 8.8400 119.3767 61.8065 71.0750 173.2231 67 V 4.7342 8.8487 127.1917 61.0764 34.2781 174.6975 68 F 4.6230 9.4368 127.9228 57.0098 38.9994 174.1849 69 D 4.8428 9.0322 125.5369 53.2757 41.3123 175.1426 70 M 4.6797 8.1718 125.3231 54.1354 33.4527 176.5448 71 S 4.3147 8.9978 117.3460 58.5179 63.1194 174.2448 72 G 4.7893 8.7231 113.3549 44.6990 0.0000 173.8214 73 Q 4.4185 7.5851 119.1374 54.8738 29.7147 177.4781 74 G 3.7423 8.8878 108.1860 48.3636 0.0000 175.7070 75 R 3.7594 7.8371 119.1742 58.5845 30.2448 176.9342 76 Y 4.9624 7.6039 113.4725 57.8205 39.1177 177.7176 77 R 3.1622 7.5272 119.6306 58.4456 29.7474 178.2007 78 N 4.2384 8.0507 115.9017 55.9018 37.2509 176.6369 79 L 4.0086 8.0794 121.0994 56.7635 41.7357 178.9378 80 W 4.5028 8.0203 119.3786 60.0543 28.9411 178.2706 81 E 2.0000 7.6802 116.0162 58.5197 28.7791 178.4462 82 H 3.9478 7.5542 116.5631 57.7396 28.9069 176.0230 83 Y 4.3079 7.2098 116.5344 57.6580 38.3684 177.0529 84 Y 4.3963 7.4623 120.2770 61.0865 37.7702 178.2296 85 K 4.1867 8.1630 117.5798 58.2099 32.3048 176.9743 86 E 4.5531 7.9331 117.0625 55.6255 29.7555 176.4009 87 G 3.9097 7.9823 110.2096 45.6278 0.0000 174.5305 88 Q 4.3604 9.0208 126.3269 57.4716 29.5675 176.4424 89 A 4.8804 7.8660 119.1921 50.4937 23.1361 174.8704 90 I 4.8495 8.7616 120.3697 59.4948 40.8311 174.8572 91 I 4.6990 8.6797 127.5564 59.6952 39.3478 174.2198 92 F 4.8883 8.8313 130.8725 56.2241 41.4963 174.2170 93 V 5.0490 8.3155 126.3318 61.2133 34.1061 174.1362 94 I 4.6722 8.7804 128.0979 59.3769 40.7626 174.3959 95 D 4.7491 8.8196 126.3871 53.9446 41.0677 176.7776 96 S 4.2283 9.3684 124.9102 61.1431 63.0416 176.4888 97 S 4.7520 8.3614 112.8358 58.4781 63.3246 174.1398 98 D 4.8124 7.7692 121.5912 52.0065 40.8527 175.9386 99 R 4.0036 8.2740 123.1964 58.3044 30.7860 177.6785 100 L 4.1018 7.7920 119.7883 58.3666 42.3360 179.1030 101 R 4.1093 8.2509 117.1981 58.6413 29.9652 178.4774 102 M 4.1882 7.8231 118.1780 58.1524 32.2556 178.2105 103 V 3.6168 7.7075 118.4747 65.8748 31.6384 178.1665 104 V 3.6025 7.6997 117.4022 65.8353 31.4310 177.4882 105 A 4.2376 8.0633 120.6404 55.3463 18.1229 179.5882 106 K 3.9318 8.3414 120.4248 60.1901 32.2974 179.3478 107 E 4.0020 8.0926 118.2559 61.4517 29.4943 181.0222 108 E 4.3192 8.4078 119.6976 58.9397 29.5102 179.0058 109 L 3.8913 8.4579 120.8287 58.4314 42.2119 178.8750 110 D 4.3282 8.4015 118.9481 57.5707 40.4905 178.9746 111 T 3.9022 7.8098 115.2851 66.4676 68.8221 175.8942 112 L 4.1882 8.3286 122.5889 58.6191 41.8734 179.2714 113 L 4.0154 8.1120 117.2728 57.1429 41.6118 178.2843 114 N 4.6625 7.7320 113.4657 52.5114 39.5284 174.9559 115 H 4.3032 7.5720 121.7849 55.3142 30.6389 174.0131 116 P 4.2520 0.0000 0.0000 65.9444 31.2006 176.7666 117 D 4.8178 8.3591 114.2214 54.6193 41.6513 176.3924 118 I 4.2705 7.4824 119.7216 62.5807 39.4659 177.5369 119 K 3.8908 8.2869 120.4480 59.1122 31.9282 176.8300 120 H 4.9255 8.0725 112.6265 55.1940 29.2726 173.4857 121 R 4.6585 7.6432 118.6463 54.5285 32.1507 177.7092 122 R 4.3284 8.4096 123.2830 55.2056 28.4422 174.9608 123 I 4.5182 7.3202 112.5158 58.4197 39.9211 175.1555 124 P 4.8979 0.0000 0.0000 63.0803 32.7385 174.9016 125 I 4.7421 9.0080 125.1952 59.4498 39.5150 174.2927 126 L 4.4229 8.8414 130.8860 53.8115 43.3709 175.2618 127 F 5.2273 9.1452 126.0714 56.3681 41.2745 174.8848 128 F 5.4012 9.1281 121.0445 55.9547 41.7865 174.8018 129 A 4.7268 9.6222 127.9509 51.0672 18.0611 176.0539 130 N 5.0158 9.2858 121.4300 51.6069 41.9529 174.2647 131 K 4.2401 8.6190 116.7337 57.2447 29.4375 178.0455 132 M 4.1381 8.1387 118.7740 58.1590 31.0533 177.2408 133 D 4.4849 7.9709 117.5804 55.1674 40.3124 176.6145 134 L 4.2648 7.8669 123.2680 54.6563 42.4538 178.6840 135 R 3.9426 8.6374 120.4298 59.6836 29.3631 177.6857 136 D 4.6656 8.0114 114.6045 54.4838 41.0258 176.1774 137 A 4.2751 7.7176 122.6669 51.9438 18.8404 177.9079 138 V 4.1686 8.3243 122.7082 62.1871 32.9030 176.0021 139 T 4.3614 8.3535 116.4788 61.0989 70.1943 175.6443 140 S 4.0979 8.7312 117.2708 61.5086 63.0849 176.5101 141 V 3.5445 7.8037 121.3972 65.8023 31.1763 177.8085 142 K 3.9479 7.8720 118.8620 59.3539 31.9747 178.9712 143 V 3.5227 8.0728 118.9078 66.0400 31.5008 177.8555 144 S 3.7924 8.2395 113.1481 61.2496 62.0337 176.0254 145 Q 3.8548 7.9208 121.7661 59.2850 28.6870 178.0908 146 L 3.9579 7.9366 118.8984 57.5485 41.7697 178.8517 147 L 4.1220 7.8287 116.1945 54.1056 42.4920 176.2130 148 C 4.2145 7.6051 115.4236 60.0028 26.0199 175.3761 149 L 3.2545 7.4554 121.2274 56.9998 41.4066 179.7520 150 E 4.1487 8.0679 116.6461 59.4505 29.2914 178.5901 151 N 4.3337 7.8302 115.2548 54.8162 38.6923 175.2365 152 I 3.9325 7.5817 122.1972 61.4538 36.2082 175.8501 153 K 4.4478 8.7303 129.7019 55.8477 33.2412 174.9521 154 D 4.9937 8.0969 114.0765 52.9103 40.2305 179.1885 155 K 5.0203 7.7002 117.6360 54.7525 36.2037 174.3714 156 P 4.8378 0.0000 0.0000 62.7606 32.6290 175.1310 157 W 6.2274 8.4272 118.5385 54.7754 31.8958 173.3016 158 H 4.2713 8.1035 118.2168 54.5888 32.6651 171.5808 159 I 5.1103 7.8046 123.4512 59.4302 40.7977 174.1664 160 C 5.0592 8.8372 124.8708 57.7633 32.5604 173.3280 161 A 4.9811 8.6354 123.9760 52.0997 19.6694 176.5045 162 S 5.0038 9.0020 114.4074 56.9792 67.2777 172.8089 163 D 5.0396 8.7893 121.7533 52.5676 42.2647 176.3005 164 A 4.1137 8.3424 129.1034 54.4194 18.9644 178.9725 165 I 3.8476 7.8629 116.3200 64.3178 37.4074 177.4089 166 K 3.9676 8.3512 120.4320 57.4649 31.8992 177.7521 167 G 3.9344 8.6653 106.7166 44.6543 0.0000 172.6047 168 E 4.0385 7.8446 121.5761 57.3328 29.8560 177.1057 169 G 4.5470 8.9093 113.5904 47.3068 0.0000 175.5006 170 L 4.1529 7.6078 119.2998 57.6761 41.4157 178.9477 171 Q 4.0309 8.2047 119.1695 59.3709 28.9075 178.0708 172 E 4.1038 8.3891 119.7809 59.1592 29.7270 178.8022 173 G 3.6363 8.0269 104.6714 47.9946 0.0000 175.6994 174 V 3.7662 8.1649 121.5779 65.7875 31.5984 177.8376 175 D 4.3993 8.5120 118.6935 57.0547 40.7394 178.5632 176 W 4.0054 8.5064 129.0525 60.1944 30.5593 177.7626 177 L 3.7081 8.6534 120.7472 58.2174 41.3718 178.5636 178 Q 4.0080 8.1535 118.3142 59.4190 28.9961 177.8120 179 D 4.3931 7.5494 118.1372 57.5925 40.9464 178.6428 180 Q 3.7898 7.2099 116.8220 58.0373 28.5945 177.2157 181 I 4.1166 7.0822 124.5538 61.2837 37.5393 175.3123 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 17 E 8.44 4.43 0.00 1.77 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 2.13 1.89 0.00 18 V 7.80 4.41 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 1.10 0.00 0.00 0.93 0.00 0.00 19 H 10.05 5.35 0.00 3.24 3.56 0.00 5.80 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.05 4.97 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 1.05 0.00 0.00 0.91 0.00 0.00 21 L 8.72 4.99 0.00 1.56 1.47 1.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.88 4.97 0.00 2.92 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 23 L 9.50 4.16 0.00 0.96 0.13 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.53 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 0.00 0.00 0.00 25 L 8.01 4.79 0.00 1.80 1.68 1.01 1.02 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 26 D 8.44 4.36 0.00 2.88 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 27 N 8.87 4.43 0.00 2.89 2.99 0.00 0.00 7.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.72 4.25 0.00 4.04 4.01 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 29 G 8.63 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 0.00 0.00 0.00 30 K 8.51 3.81 0.00 1.78 1.83 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.50 7.81 31 T 7.69 4.10 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 1.22 0.00 0.00 32 T 7.87 3.82 4.35 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 1.17 0.00 0.00 33 I 7.71 3.57 1.88 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 1.13 0.38 0.64 0.00 0.00 34 I 7.72 3.81 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.89 0.00 0.00 35 N 8.31 4.24 0.00 2.94 2.97 0.00 0.00 6.89 6.51 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 36 K 7.73 4.03 0.00 1.94 1.86 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 L 7.50 4.21 0.00 1.78 1.76 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.05 4.33 0.00 1.98 1.74 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.56 7.81 39 P 0.00 4.39 0.00 2.17 1.98 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 40 S 9.13 4.18 0.00 4.04 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 41 N 8.23 4.36 0.00 2.84 2.79 0.00 0.00 6.57 7.46 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 42 A 7.78 4.55 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 43 Q 7.25 4.33 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 44 S 9.68 4.41 0.00 3.74 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.54 4.32 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 46 N 7.92 4.77 0.00 2.65 2.74 0.00 0.00 6.89 7.45 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 47 I 8.13 4.20 1.86 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 1.40 0.50 0.90 0.00 0.00 48 L 8.10 4.77 0.00 1.60 1.56 0.92 1.09 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 49 P 0.00 4.25 0.00 2.08 2.07 0.00 3.69 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 2.06 2.16 0.00 50 T 8.42 3.88 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 51 I 8.15 3.81 1.73 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 1.35 0.48 0.82 0.00 0.00 52 G 7.59 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 0.00 0.00 0.00 53 F 6.86 5.24 0.00 3.07 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 54 S 9.20 4.71 0.00 3.69 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 55 I 8.20 4.70 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.46 0.52 0.00 0.00 56 E 9.02 4.81 0.00 1.81 1.77 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 2.15 2.35 0.00 57 K 8.80 5.58 0.00 1.58 1.68 0.00 1.70 0.00 0.00 2.39 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.19 7.81 *58 F 8.55 5.00 0.00 2.55 2.43 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 59 K 8.68 4.92 0.00 1.60 1.64 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.42 7.81 60 S 8.65 4.98 0.00 3.59 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 61 S 9.03 4.46 0.00 3.62 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.93 4.67 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.77 4.53 0.00 1.53 1.51 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.11 4.77 0.00 3.75 3.59 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 65 F 8.74 5.54 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.84 4.95 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 1.03 0.00 0.00 67 V 8.85 4.73 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 1.03 0.00 0.00 0.92 0.00 0.00 68 F 9.44 4.62 0.00 2.90 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 69 D 9.03 4.84 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 M 8.17 4.68 0.00 2.13 1.76 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 71 S 9.00 4.31 0.00 4.10 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 72 G 8.72 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.59 4.42 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 74 G 8.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.84 3.76 0.00 1.51 1.43 0.00 2.94 0.00 0.00 2.85 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 76 Y 7.60 4.96 0.00 3.19 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 77 R 7.53 3.16 0.00 1.60 1.24 0.00 2.80 0.00 0.00 2.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.43 0.00 78 N 8.05 4.24 0.00 2.82 2.90 0.00 0.00 6.08 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 79 L 8.08 4.01 0.00 2.09 2.08 1.28 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.02 4.50 0.00 3.36 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 81 E 7.68 2.00 0.00 1.67 1.73 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 2.27 2.23 0.00 82 H 7.55 3.95 0.00 2.30 2.54 0.00 5.63 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.21 4.31 0.00 2.80 2.23 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 84 Y 7.46 4.40 0.00 2.84 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 85 K 8.16 4.19 0.00 1.72 1.87 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 86 E 7.93 4.55 0.00 2.07 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 2.04 1.84 0.00 87 G 7.98 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 88 Q 9.02 4.36 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 89 A 7.87 4.88 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 0.00 0.00 0.00 0.00 0.00 90 I 8.76 4.85 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.88 0.00 0.00 91 I 8.68 4.70 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.74 1.05 0.00 0.00 92 F 8.83 4.89 0.00 2.64 2.29 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 93 V 8.32 5.05 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 0.98 0.00 0.00 1.01 0.00 0.00 94 I 8.78 4.67 2.02 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.16 1.01 0.00 0.00 95 D 8.82 4.75 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.37 4.23 0.00 4.08 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 97 S 8.36 4.75 0.00 3.99 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 98 D 7.77 4.81 0.00 2.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.27 4.00 0.00 1.83 1.98 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 100 L 7.79 4.10 0.00 1.76 1.67 0.93 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 109 L 8.46 3.89 0.00 1.37 1.77 0.52 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.40 4.33 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.81 3.90 4.49 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 1.31 0.00 0.00 112 L 8.33 4.19 0.00 2.06 2.07 0.41 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.11 4.02 0.00 1.77 1.67 0.82 0.93 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 0.00 114 N 7.73 4.66 0.00 2.81 2.85 0.00 0.00 6.95 7.55 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 0.00 115 H 7.57 4.30 0.00 3.47 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.25 0.00 2.05 2.14 0.00 3.21 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 117 D 8.36 4.82 0.00 2.93 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 0.00 118 I 7.48 4.27 1.99 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.83 0.80 0.00 0.00 119 K 8.29 3.89 0.00 1.73 1.56 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.49 7.81 120 H 8.07 4.93 0.00 3.15 3.28 0.00 5.91 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.64 4.66 0.00 1.80 1.84 0.00 3.18 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 122 R 8.41 4.33 0.00 1.82 1.93 0.00 3.19 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 123 I 7.32 4.52 2.03 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 1.39 0.59 0.93 0.00 0.00 124 P 0.00 4.90 0.00 2.26 2.19 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 125 I 9.01 4.74 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.82 0.10 0.00 0.00 126 L 8.84 4.42 0.00 1.85 1.44 0.60 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 127 F 9.15 5.23 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 9.13 5.40 0.00 3.09 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 0.00 129 A 9.62 4.73 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 0.00 130 N 9.29 5.02 0.00 2.91 2.96 0.00 0.00 7.05 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 0.00 131 K 8.62 4.24 0.00 2.13 1.88 0.00 1.88 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.42 7.81 132 M 8.14 4.14 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 133 D 7.97 4.48 0.00 2.81 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 0.00 134 L 7.87 4.26 0.00 1.77 1.63 0.93 0.91 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 0.00 135 R 8.64 3.94 0.00 1.83 1.86 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 136 D 8.01 4.67 0.00 2.67 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 0.00 137 A 7.72 4.28 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 0.00 138 V 8.32 4.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 139 T 8.35 4.36 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 1.22 0.00 0.00 140 S 8.73 4.10 0.00 4.08 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.80 3.54 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 1.02 0.00 0.00 0.93 0.00 0.00 142 K 7.87 3.95 0.00 1.94 1.95 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.48 7.81 143 V 8.07 3.52 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 0.90 0.00 0.00 1.01 0.00 0.00 144 S 8.24 3.79 0.00 3.88 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 0.00 145 Q 7.92 3.85 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 146 L 7.94 3.96 0.00 1.71 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.83 4.12 0.00 1.26 1.39 0.74 0.76 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 0.00 148 C 7.61 4.21 0.00 2.98 2.89 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 0.00 0.00 0.00 0.00 149 L 7.46 3.25 0.00 0.58 0.13 -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.07 4.15 0.00 2.17 2.30 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 2.32 2.29 0.00 151 N 7.83 4.33 0.00 2.77 2.85 0.00 0.00 7.06 7.05 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 0.00 152 I 7.58 3.93 1.50 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.17 1.04 0.00 0.00 153 K 8.73 4.45 0.00 1.76 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 0.97 7.81 154 D 8.10 4.99 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.70 5.02 0.00 1.72 1.99 0.00 1.75 0.00 0.00 2.03 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.45 7.81 156 P 0.00 4.84 0.00 2.43 2.32 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 157 W 8.43 6.23 0.00 3.62 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 H 8.10 4.27 0.00 1.40 1.45 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.80 5.11 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.94 0.00 0.00 160 C 8.84 5.06 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.64 4.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 9.00 5.00 0.00 3.74 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 0.00 163 D 8.79 5.04 0.00 2.72 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 0.00 164 A 8.34 4.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 I 7.86 3.85 1.97 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 1.28 0.55 0.90 0.00 0.00 166 K 8.35 3.97 0.00 1.71 2.00 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 167 G 8.67 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 0.00 168 E 7.84 4.04 0.00 2.06 1.84 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 2.39 2.39 0.00 169 G 8.91 4.55 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 0.00 170 L 7.61 4.15 0.00 1.71 1.71 0.79 0.07 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 0.00 171 Q 8.20 4.03 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 172 E 8.39 4.10 0.00 2.16 2.21 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 2.48 2.46 0.00 173 G 8.03 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 0.00 0.00 0.00 174 V 8.16 3.77 2.21 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 1.30 0.00 0.00 1.10 0.00 0.00 175 D 8.51 4.40 0.00 3.01 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 0.00 176 W 8.51 4.01 0.00 3.28 3.30 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 0.00 177 L 8.65 3.71 0.00 2.10 1.87 1.10 0.36 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 0.00 178 Q 8.15 4.01 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 179 D 7.55 4.39 0.00 2.58 2.53 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 0.00 180 Q 7.21 3.79 0.00 1.69 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 181 I 7.08 4.12 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.49 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.