NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 L 4.2793 8.0427 122.7435 55.0688 44.5529 176.1715 20 E 4.4598 8.1147 119.0664 55.1231 30.3336 170.1823 21 V 4.2417 9.4422 128.0417 61.1027 35.1095 173.3571 22 N 4.7560 8.8172 125.2570 51.8662 39.8983 173.6198 23 L 5.0680 9.1958 124.8950 52.7932 44.4422 175.4941 24 A 5.3384 8.5390 125.5178 50.3347 21.8891 175.2459 25 I 4.7694 8.9449 123.5066 59.6540 39.4750 175.0942 26 L 4.8303 8.6147 126.4343 51.4787 45.7280 174.9365 27 G 4.3274 7.1887 104.3723 43.5195 0.0000 173.7346 28 R 4.1047 8.5309 120.3962 55.6160 30.6825 175.7077 29 R 3.9968 8.6137 123.9803 58.5950 30.1810 176.5510 30 G 4.0189 9.0530 112.9417 45.2445 0.0000 174.1139 31 A 4.0983 7.6808 122.2319 53.9327 18.7240 178.2753 32 G 4.3484 8.4743 105.3605 45.9661 0.0000 176.2395 33 K 3.8750 8.6341 120.6796 59.4971 32.0767 179.0208 34 S 4.1231 8.2902 115.8485 60.8178 62.7635 176.3132 35 A 4.0176 7.9927 123.0475 55.2980 18.1099 179.5633 36 L 4.0635 8.0192 117.4244 58.0193 41.7452 179.8262 37 T 3.7050 7.8796 115.8151 66.6941 68.3562 177.0080 38 V 3.5542 7.9198 120.4798 65.3942 31.4398 178.0639 39 K 4.2301 8.3500 121.4633 58.8105 31.8606 178.5913 40 F 4.0280 7.9648 119.8041 61.2360 39.2882 176.8541 41 L 3.8691 8.1103 117.7318 57.3477 41.6274 178.7558 42 T 4.2808 7.9263 106.1430 60.3867 69.6536 175.1045 43 K 4.0284 8.0635 122.0282 57.5420 30.4596 176.0339 44 R 4.7031 7.9562 117.4827 53.9407 32.8082 179.1017 45 F 4.7679 8.8721 123.5374 57.4407 39.5731 174.8523 46 I 4.0471 7.8679 129.8835 59.5242 37.6916 175.9295 47 S 3.5295 8.0524 121.1392 59.9183 63.3546 174.5147 48 E 4.5305 7.7204 120.0230 55.5943 29.6389 174.5557 49 Y 3.8874 8.3077 118.6236 57.4355 39.2458 174.4509 50 D 4.1794 7.5820 126.0735 53.0196 40.5842 175.4652 51 P 4.3968 0.0000 0.0000 64.7001 31.5624 177.1086 52 N 4.7030 8.3331 113.9014 52.8705 39.3635 174.5351 53 L 4.2565 7.6116 121.7958 54.1017 42.4717 174.9776 54 E 5.1775 8.6511 127.1096 53.8615 31.5447 174.1378 55 D 4.7335 8.7402 124.7130 53.5705 45.6130 173.1033 56 T 5.2522 8.2145 117.6794 62.1751 70.2472 173.9266 57 Y 4.7491 9.3775 124.0877 56.2802 40.9761 174.8727 58 S 5.5791 8.7341 118.6977 57.0018 66.1536 173.5551 59 S 4.6865 8.9901 116.9205 57.2232 66.7133 172.7347 60 E 4.9478 8.6904 121.5945 55.3131 30.4487 175.1889 61 E 4.9029 9.8332 124.6185 54.7246 34.0412 174.9559 62 T 4.9795 8.4414 116.9613 61.8547 71.5978 173.9266 63 V 4.0906 8.5889 126.0415 61.9261 33.8765 175.1425 64 D 4.5791 9.5166 128.0148 56.0110 38.1028 174.1386 65 H 4.1898 8.2599 111.5655 56.1856 26.8465 175.0471 66 Q 4.7355 7.5798 118.8128 53.0775 31.0666 173.4208 67 P 4.9667 0.0000 0.0000 63.0618 32.7289 175.8755 68 V 4.5328 9.1416 121.2566 62.0601 35.3950 173.7320 69 H 4.7983 9.1195 126.0472 54.9367 29.0287 173.6047 70 L 4.8812 9.2766 126.7889 54.2482 43.9021 175.4587 71 R 5.2164 9.2486 125.1664 54.6594 33.3596 174.6870 72 V 4.8993 9.2347 125.8263 61.4429 33.7921 174.5014 73 M 4.7531 9.6174 130.2428 54.7603 32.7756 174.7951 74 D 5.1160 9.1632 128.7598 53.4105 41.6357 175.7973 75 T 4.5433 8.4736 115.8956 60.4970 70.7112 174.3096 76 A 4.8500 8.5407 123.2578 51.2404 19.2538 176.6557 77 D 4.6310 8.1608 120.5658 55.2595 41.9164 177.1890 78 L 4.3003 8.5231 123.3296 56.4912 43.1222 177.7520 *82 R 4.0369 7.7229 117.1995 56.9357 30.9139 178.3608 83 N 4.2577 8.5213 110.7008 54.0702 35.1841 177.2991 84 C 3.4369 7.8034 118.2582 62.9333 27.9898 175.1536 85 E 3.8953 8.0599 120.0829 59.1490 28.7163 179.2266 86 R 4.0298 7.4248 115.6655 58.3871 29.6323 177.4078 87 Y 4.9560 7.1888 117.0032 58.0567 39.5616 177.6171 88 L 4.3983 7.8450 120.0603 57.0930 41.7580 178.1228 89 N 4.9471 7.7806 111.9931 52.7757 39.1756 175.1715 90 W 4.4937 8.0319 129.8251 58.8494 31.9458 176.4063 91 A 3.7215 7.9664 120.0775 52.1054 18.3408 176.9845 92 H 4.5225 8.2366 118.7782 57.8226 29.7176 175.5497 93 A 4.7051 7.2823 117.7629 50.5764 22.7726 174.9688 94 F 5.3118 9.0280 118.0445 55.6418 42.6707 174.4387 95 L 4.9884 8.7312 122.6985 53.0184 44.0533 175.4474 96 V 4.5485 9.1032 124.7983 61.1953 33.1961 174.2676 97 V 4.9243 8.6786 129.0522 61.3037 33.7392 174.0845 98 Y 5.0605 8.7084 125.0975 55.2163 42.1046 173.9820 99 S 5.1912 9.1072 114.7064 56.5643 64.8771 176.0522 100 V 3.9186 9.0551 117.9514 63.8572 31.5238 177.1200 101 D 5.1009 8.1077 117.7604 53.0938 39.7443 176.7824 102 S 4.5768 8.4426 114.5516 56.1145 64.6937 173.8694 103 R 4.0067 9.3738 131.1940 59.7214 29.8018 178.3224 104 Q 4.0472 8.1198 117.5571 58.9830 28.8623 178.6681 105 S 4.2915 8.1539 114.9327 61.2542 62.6102 176.4517 106 F 3.9667 8.3122 124.1790 61.2498 39.0416 176.7160 107 D 4.2092 8.3714 118.7536 57.7491 40.6375 179.2802 108 S 4.0658 8.2443 115.6718 61.2480 62.7710 176.7389 109 S 4.2952 8.1279 117.5461 61.6051 62.5884 176.8229 110 S 3.8858 7.5237 117.6933 60.9860 62.6704 176.5836 111 S 4.6175 7.3677 118.4817 60.3685 62.7875 176.2443 112 Y 3.9293 7.6188 120.2827 60.9997 37.6558 177.9692 113 L 3.6121 7.7447 119.8609 57.5644 41.3874 179.5574 114 E 4.0769 8.0972 118.8618 59.2449 29.4304 178.9171 115 L 3.9116 7.7607 120.3056 58.2757 42.1324 179.0834 116 L 3.8488 7.9451 118.4726 57.5732 41.5241 179.0996 117 A 4.0737 8.0523 120.6875 55.3743 18.2775 179.4165 118 L 3.9377 8.0990 117.2935 58.4099 41.6860 179.4377 119 H 4.1030 8.2951 117.5964 59.1085 29.7962 176.9195 120 A 4.3616 8.1953 126.3439 55.3578 18.0339 180.4465 121 K 3.9719 7.8694 120.5232 59.9531 31.7718 180.6867 122 E 4.3639 8.3962 118.9535 58.6393 29.5971 178.3999 123 T 4.3861 7.8481 106.4209 60.5135 69.8162 174.8772 124 Q 3.4999 8.0861 119.2868 56.4564 27.1414 173.4873 125 R 3.9260 7.8607 121.8263 56.7561 29.2990 176.6602 126 S 4.8630 8.4755 123.6045 56.8291 61.7106 170.1493 127 I 4.8282 8.0526 127.0308 57.7141 39.8308 174.2499 128 P 4.6784 0.0000 0.0000 62.9218 32.4171 175.0420 129 A 5.3918 8.5607 121.3531 50.3332 23.0521 174.6373 130 L 5.0306 9.0104 120.8091 52.8661 44.8824 175.2481 131 L 5.0321 9.1171 126.2008 53.7882 44.1006 174.8905 132 L 4.8810 9.0936 127.0272 52.9252 44.4550 176.1805 133 G 3.2459 8.4925 113.0562 44.9835 0.0000 172.5056 134 N 4.9854 9.0702 126.9516 52.2855 41.2943 174.3798 135 K 3.7969 8.4235 116.4236 56.6819 29.4626 178.1938 136 L 3.9059 8.0899 123.4670 58.2708 41.8081 178.5675 137 D 4.4739 8.1428 117.1161 55.7641 39.4668 177.0481 138 M 4.6123 8.2016 119.8338 55.2221 32.1340 177.8281 139 A 4.0632 7.8350 126.1555 55.3804 18.5414 180.2316 140 Q 4.1094 7.8310 112.2377 56.1953 28.3177 180.8884 141 Y 4.9158 7.7629 115.2542 58.4350 39.1035 175.7342 142 R 4.2249 8.1559 120.1428 56.6058 30.7206 175.7987 143 Q 4.4469 8.8566 123.6916 55.8370 30.2489 175.9067 144 V 4.2888 7.5093 117.1336 60.4482 33.8724 175.6919 145 T 4.2763 8.7833 118.5316 60.9266 70.9504 175.8794 146 K 4.3190 8.8275 123.0284 59.7490 32.5257 178.9078 147 A 3.9255 8.0695 121.3973 55.1521 18.2233 179.3217 148 E 3.9911 7.8768 117.1987 59.2009 29.3414 179.7832 149 G 3.1217 7.5820 105.7345 47.5113 0.0000 175.7795 150 V 3.2070 7.2989 121.0460 65.4037 31.2968 177.8434 151 A 3.9202 7.8701 119.2427 55.0414 18.5895 178.8941 152 L 4.0357 7.9944 118.5227 58.4479 42.1652 178.8280 153 A 4.2085 8.2550 120.9982 55.4947 17.9534 179.8661 154 G 3.5799 8.1872 103.9294 47.9616 0.0000 176.1527 155 R 3.6247 7.7295 119.4159 58.0198 30.0571 178.0257 156 F 4.7838 7.8517 113.6577 55.8879 40.2518 175.1410 157 G 3.9179 7.8662 106.4176 47.0322 0.0000 173.3502 158 C 5.0399 7.8391 112.7588 55.5351 32.7568 173.7560 159 L 4.3033 8.1514 119.0179 55.0518 42.6737 176.0409 160 F 5.4477 7.8926 121.9385 56.9154 42.6477 173.6326 161 F 4.4869 8.4521 123.2741 55.7548 43.8875 173.1209 162 E 4.8719 8.3724 121.4573 55.2298 31.5000 175.5596 163 V 4.7075 8.9278 116.5002 60.1338 37.0717 173.9691 164 S 5.0373 8.7790 114.6999 56.5716 64.8392 173.7729 165 A 4.3154 8.9760 128.8241 53.5329 18.5847 177.1987 166 C 4.7822 7.5883 110.7604 57.6598 30.7057 174.6263 167 L 4.8418 7.6625 121.4662 55.3008 42.4481 176.3635 168 D 4.6547 8.5543 124.7485 53.9773 40.4119 177.1169 169 F 4.2804 8.8293 122.2885 61.4485 39.3865 177.3941 170 E 3.8134 8.2396 118.2402 59.4899 29.0877 178.8172 171 H 4.1648 8.5972 115.3361 58.3715 28.6402 178.0084 172 V 3.3649 7.1328 120.4449 65.7755 31.4435 177.3421 173 Q 3.9737 7.4564 119.5041 59.5730 28.6607 178.0507 174 H 3.9978 8.0015 118.9316 59.4716 29.8936 177.7151 175 V 3.0718 7.1474 113.8874 64.0879 31.1132 178.6286 176 F 3.6393 7.8160 117.1631 60.6431 38.5403 177.4831 177 H 4.3140 8.4170 116.1134 58.6224 28.4004 177.3603 178 E 3.8525 8.4953 121.4319 59.2431 29.3263 178.7397 179 A 3.9220 7.9202 120.7325 55.0161 18.3132 179.8705 180 V 3.4467 7.4798 116.4983 66.1458 31.6765 178.1818 181 R 3.9038 8.2554 118.2862 59.6230 29.7478 178.7773 182 E 3.9806 8.2812 116.6800 59.4464 29.5346 179.0354 183 A 4.1499 8.1532 122.5034 55.7412 18.5005 180.1394 184 R 4.1478 8.5900 120.8531 61.1705 29.6885 180.2476 185 R 4.5238 8.3086 123.7320 58.8846 29.6979 180.1660 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 19 L 8.04 4.28 0.00 1.70 1.65 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.11 4.46 0.00 2.11 1.82 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 2.33 2.51 0.00 21 V 9.44 4.24 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 0.92 0.00 0.00 0.85 0.00 0.00 22 N 8.82 4.76 0.00 1.70 1.42 0.00 0.00 7.00 6.74 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 23 L 9.20 5.07 0.00 1.60 1.53 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.54 5.34 1.45 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 0.00 0.00 25 I 8.94 4.77 1.85 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 1.30 1.54 0.84 0.00 0.00 26 L 8.61 4.83 0.00 0.99 0.41 0.48 -0.32 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 27 G 7.19 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 0.00 0.00 0.00 28 R 8.53 4.10 0.00 2.00 1.92 0.00 3.29 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 29 R 8.61 4.00 0.00 2.03 1.92 0.00 3.32 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 30 G 9.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.68 4.10 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 32 G 8.47 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 0.00 0.00 0.00 0.00 33 K 8.63 3.88 0.00 1.81 2.00 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 34 S 8.29 4.12 0.00 3.92 3.57 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 35 A 7.99 4.02 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.02 4.06 0.00 1.81 1.92 0.91 0.84 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 37 T 7.88 3.70 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 0.82 0.00 0.00 38 V 7.92 3.55 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 0.91 0.00 0.00 0.17 0.00 0.00 39 K 8.35 4.23 0.00 2.10 2.00 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.42 7.81 40 F 7.96 4.03 0.00 2.09 2.56 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 0.00 0.00 0.00 0.00 41 L 8.11 3.87 0.00 1.49 1.64 0.74 0.97 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 42 T 7.93 4.28 4.19 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 1.20 0.00 0.00 43 K 8.06 4.03 0.00 1.78 1.75 0.00 1.27 0.00 0.00 1.15 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.90 7.81 44 R 7.96 4.70 0.00 1.68 1.73 0.00 3.26 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 45 F 8.87 4.77 0.00 3.07 3.06 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 46 I 7.87 4.05 1.77 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 1.40 0.99 0.96 0.00 0.00 47 S 8.05 3.53 0.00 3.96 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 48 E 7.72 4.53 0.00 2.15 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 2.20 1.83 0.00 49 Y 8.31 3.89 0.00 2.88 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 50 D 7.58 4.18 0.00 2.37 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 0.00 0.00 0.00 51 P 0.00 4.40 0.00 2.10 2.13 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 52 N 8.33 4.70 0.00 2.82 2.85 0.00 0.00 6.90 7.39 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 53 L 7.61 4.26 0.00 1.50 1.57 0.93 0.83 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 54 E 8.65 5.18 0.00 2.05 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 2.20 2.37 0.00 55 D 8.74 4.73 0.00 2.65 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 0.00 0.00 0.00 56 T 8.21 5.25 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 1.42 0.00 0.00 57 Y 9.38 4.75 0.00 2.85 2.90 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 58 S 8.73 5.58 0.00 3.75 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.99 4.69 0.00 3.92 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 60 E 8.69 4.95 0.00 1.82 1.89 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 2.02 2.12 0.00 61 E 9.83 4.90 0.00 1.84 1.90 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 2.33 2.68 0.00 62 T 8.44 4.98 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 63 V 8.59 4.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.70 0.00 0.00 64 D 9.52 4.58 0.00 2.84 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 65 H 8.26 4.19 0.00 3.34 3.46 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.58 4.74 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 67 P 0.00 4.97 0.00 2.11 2.07 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 68 V 9.14 4.53 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 0.96 0.00 0.00 0.92 0.00 0.00 69 H 9.12 4.80 0.00 3.20 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.28 4.88 0.00 1.85 1.79 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.25 5.22 0.00 1.96 2.20 0.00 3.46 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.07 0.00 72 V 9.23 4.90 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 1.07 0.00 0.00 1.09 0.00 0.00 73 M 9.62 4.75 0.00 2.08 1.35 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 74 D 9.16 5.12 0.00 2.84 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 75 T 8.47 4.54 4.29 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 1.17 0.00 0.00 76 A 8.54 4.85 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 77 D 8.16 4.63 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 89 N 7.78 4.95 0.00 2.82 2.93 0.00 0.00 6.89 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 90 W 8.03 4.49 0.00 3.25 3.48 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 91 A 7.97 3.72 0.74 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 92 H 8.24 4.52 0.00 2.89 3.21 0.00 5.87 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.28 4.71 1.10 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 0.00 0.00 94 F 9.03 5.31 0.00 2.95 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 95 L 8.73 4.99 0.00 1.40 1.36 -0.19 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.10 4.55 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 1.03 0.00 0.00 0.85 0.00 0.00 97 V 8.68 4.92 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 0.88 0.00 0.00 0.84 0.00 0.00 98 Y 8.71 5.06 0.00 3.16 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 99 S 9.11 5.19 0.00 4.02 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 0.00 100 V 9.06 3.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 101 D 8.11 5.10 0.00 2.97 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 0.00 102 S 8.44 4.58 0.00 3.93 3.85 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 0.00 103 R 9.37 4.01 0.00 2.04 2.03 0.00 3.28 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 104 Q 8.12 4.05 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 105 S 8.15 4.29 0.00 4.26 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 0.00 106 F 8.31 3.97 0.00 2.88 3.16 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 0.00 107 D 8.37 4.21 0.00 2.86 2.68 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 0.00 108 S 8.24 4.07 0.00 4.15 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 0.00 109 S 8.13 4.30 0.00 4.18 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.52 3.89 0.00 4.06 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 0.00 111 S 7.37 4.62 0.00 4.01 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 0.00 112 Y 7.62 3.93 0.00 3.10 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 0.00 113 L 7.74 3.61 0.00 0.70 0.13 0.76 0.69 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 0.00 114 E 8.10 4.08 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 2.60 2.61 0.00 115 L 7.76 3.91 0.00 1.82 1.85 0.89 0.72 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 0.00 116 L 7.95 3.85 0.00 1.73 1.55 0.47 -0.37 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 0.00 117 A 8.05 4.07 1.59 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 0.00 0.00 118 L 8.10 3.94 0.00 1.91 1.77 0.93 1.04 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 0.00 119 H 8.30 4.10 0.00 3.40 3.48 0.00 5.80 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 0.00 120 A 8.20 4.36 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 0.00 121 K 7.87 3.97 0.00 1.89 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.36 7.81 122 E 8.40 4.36 0.00 2.03 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 2.34 2.43 0.00 123 T 7.85 4.39 4.19 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 1.03 0.00 0.00 124 Q 8.09 3.50 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 125 R 7.86 3.93 0.00 1.88 1.91 0.00 3.16 0.00 0.00 3.52 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 126 S 8.48 4.86 0.00 3.66 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 0.00 127 I 8.05 4.83 2.20 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.95 0.00 0.00 128 P 0.00 4.68 0.00 2.15 2.22 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 129 A 8.56 5.39 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 L 9.01 5.03 0.00 1.59 1.62 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 131 L 9.12 5.03 0.00 1.93 2.01 1.28 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 132 L 9.09 4.88 0.00 1.46 1.40 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.49 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 0.00 0.00 0.00 134 N 9.07 4.99 0.00 2.72 2.83 0.00 0.00 7.03 7.26 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 0.00 135 K 8.42 3.80 0.00 2.05 1.91 0.00 2.26 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.38 7.81 136 L 8.09 3.91 0.00 1.79 1.66 0.96 1.35 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 0.00 137 D 8.14 4.47 0.00 2.83 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 0.00 138 M 8.20 4.61 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 139 A 7.84 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 7.83 4.11 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.47 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 141 Y 7.76 4.92 0.00 3.06 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 0.00 142 R 8.16 4.22 0.00 1.98 1.83 0.00 3.20 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 143 Q 8.86 4.45 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.35 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 144 V 7.51 4.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 145 T 8.78 4.28 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 1.17 0.00 0.00 146 K 8.83 4.32 0.00 2.28 2.56 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 0.94 7.81 147 A 8.07 3.93 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 0.00 148 E 7.88 3.99 0.00 1.91 1.60 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 2.27 2.22 0.00 149 G 7.58 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 0.00 0.00 0.00 150 V 7.30 3.21 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 0.96 0.00 0.00 0.95 0.00 0.00 151 A 7.87 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.99 4.04 0.00 1.91 1.89 0.96 0.66 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 0.00 153 A 8.25 4.21 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.19 3.58 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 0.00 0.00 0.00 155 R 7.73 3.62 0.00 1.79 1.14 0.00 3.04 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 156 F 7.85 4.78 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 7.87 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 0.00 158 C 7.84 5.04 0.00 3.25 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 0.00 159 L 8.15 4.30 0.00 1.72 1.52 1.10 0.95 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 0.00 160 F 7.89 5.45 0.00 2.90 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 0.00 161 F 8.45 4.49 0.00 2.71 2.62 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 0.00 162 E 8.37 4.87 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 163 V 8.93 4.71 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 0.61 0.00 0.00 0.88 0.00 0.00 164 S 8.78 5.04 0.00 3.78 3.66 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 0.00 0.00 0.00 0.00 165 A 8.98 4.32 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 0.00 166 C 7.59 4.78 0.00 2.70 1.70 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 0.00 167 L 7.66 4.84 0.00 1.62 1.44 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.55 4.65 0.00 2.84 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 0.00 169 F 8.83 4.28 0.00 3.17 3.08 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 0.00 0.00 0.00 170 E 8.24 3.81 0.00 2.32 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 2.47 2.57 0.00 171 H 8.60 4.16 0.00 3.29 3.53 0.00 5.27 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.13 3.36 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 1.10 0.00 0.00 0.75 0.00 0.00 173 Q 7.46 3.97 0.00 0.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 1.97 2.40 0.00 174 H 8.00 4.00 0.00 3.09 3.29 0.00 5.64 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 0.00 175 V 7.15 3.07 1.61 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 0.18 0.00 0.00 0.66 0.00 0.00 176 F 7.82 3.64 0.00 2.53 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 0.00 0.00 0.00 0.00 177 H 8.42 4.31 0.00 3.36 3.33 0.00 5.82 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 0.00 178 E 8.50 3.85 0.00 1.78 1.86 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 2.48 2.46 0.00 179 A 7.92 3.92 1.21 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 0.00 0.00 180 V 7.48 3.45 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 0.99 0.00 0.00 0.98 0.00 0.00 181 R 8.26 3.90 0.00 2.06 1.99 0.00 3.38 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 182 E 8.28 3.98 0.00 2.10 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 2.56 2.51 0.00 183 A 8.15 4.15 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 0.00 184 R 8.59 4.15 0.00 1.88 1.85 0.00 3.26 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 185 R 8.31 4.52 0.00 1.85 1.72 0.00 3.27 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.