NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 116 D 4.5188 8.4645 120.1922 53.9780 41.9204 177.9033 117 R 4.4477 8.9261 109.5135 51.5264 31.8931 175.8028 118 P 4.3591 0.0000 0.0000 63.0914 32.4165 175.9916 119 Q 4.1309 8.4930 119.2289 56.7126 29.1655 175.9888 120 K 4.6181 8.1547 119.2081 54.2238 36.7532 174.2468 121 P 4.5405 0.0000 0.0000 63.0009 31.9557 177.3745 122 F 4.3305 8.7532 115.0749 58.5707 37.3628 177.5126 123 D 4.5455 8.0203 121.6935 56.9611 41.0500 176.3964 124 K 4.7777 7.9184 119.1406 55.3725 35.8407 174.2881 125 F 5.5212 9.4091 126.9024 55.9494 41.6560 174.4274 126 F 5.2718 9.2455 123.0872 55.9523 40.5257 175.0326 127 I 5.6094 7.9328 117.0600 58.7817 40.4287 174.3418 128 D 4.6799 8.1452 119.6082 54.0754 44.3010 174.1192 129 Y 5.1164 9.1360 121.1499 57.2550 40.2519 175.0398 130 I 4.6363 9.9274 121.9943 58.7540 40.9987 176.1303 131 G 4.1966 8.7228 114.0397 43.3091 0.0000 169.8285 132 P 3.7734 0.0000 0.0000 62.1591 32.0371 175.8736 133 L 4.7068 8.0602 120.8566 51.6794 45.4948 174.7026 134 P 4.1375 0.0000 0.0000 62.8428 31.7065 173.6208 135 P 4.3086 0.0000 0.0000 62.8354 30.6227 174.4522 136 S 4.2795 8.7264 115.8457 57.2015 61.4821 173.7141 137 Q 3.4877 9.7538 126.6441 56.7578 26.1126 175.2938 138 G 3.8078 8.5035 107.0372 45.3802 0.0000 173.9728 139 Y 4.4484 7.9863 118.4485 57.7052 37.9460 175.5542 140 L 4.9769 8.9015 124.1137 54.9239 44.4334 175.3384 141 Y 5.4009 8.7104 116.0251 56.4691 43.2891 174.2521 142 V 5.0864 8.9141 118.6852 61.7801 35.5397 173.1136 143 L 4.4858 9.4523 130.6517 53.9003 43.7599 175.0623 144 V 4.7427 8.9624 126.9786 61.3030 33.6120 174.2136 145 V 4.9737 8.7570 128.5336 61.1304 34.1952 174.3351 146 V 5.4187 8.7718 127.3492 59.8054 34.6878 174.0809 147 D 4.5343 8.6914 128.0143 54.3665 41.6045 177.1792 148 G 3.9454 9.4239 113.9503 49.1862 0.0000 174.0476 149 M 4.4652 8.5031 118.5791 57.2291 33.6564 176.8151 150 T 4.0403 8.3368 107.5056 61.5585 69.5022 175.5715 151 G 3.7923 7.9767 109.9597 46.3203 0.0000 173.6894 152 F 3.9710 7.6965 121.3058 58.0927 40.6859 174.0219 153 T 4.8342 8.2331 120.2991 61.4448 71.7432 173.4594 154 W 4.8711 9.2106 125.9403 54.7903 32.4439 174.7384 155 L 5.1557 9.0282 123.0251 53.1271 44.5201 175.6952 156 Y 4.8728 8.7494 121.1904 55.1902 41.0811 173.2448 157 P 5.2173 0.0000 0.0000 63.3024 31.9788 175.8369 158 T 5.2024 9.2006 113.7289 59.8915 72.0314 175.0261 159 K 4.2032 8.9147 120.3732 58.0177 32.7303 176.8504 160 A 4.1148 7.1980 119.0433 50.6445 22.6514 174.5036 161 P 2.9700 0.0000 0.0000 61.1485 30.6427 176.5842 162 S 4.5252 6.8670 114.3468 57.1854 66.7991 174.3873 163 T 3.7391 8.4690 115.1326 66.4863 68.2900 176.2688 164 S 3.9100 7.7232 114.5064 60.5839 63.0524 175.5360 165 A 4.3030 8.1109 123.0089 54.2999 18.6569 179.6219 166 T 3.9496 8.1685 115.3079 66.4296 68.4128 177.0658 167 V 3.1749 8.7795 123.3595 66.4435 31.3570 178.6599 168 K 4.0148 7.7825 123.1496 60.2210 31.6361 180.8312 169 S 4.0608 7.8540 115.9141 61.1810 62.8763 176.7138 170 L 4.1614 7.8905 120.6737 56.6975 41.3877 179.3234 171 N 4.4964 8.3109 118.8441 55.9129 38.4021 177.0713 172 V 3.5618 7.0145 116.8302 66.1814 31.7156 177.6070 173 L 4.0408 7.6272 119.4378 58.1881 41.7392 178.3023 174 T 4.9964 8.3924 109.2359 62.1524 68.5776 175.9825 175 S 4.2466 7.7666 117.2811 61.0435 63.4859 175.7571 176 I 3.9961 7.6237 123.2206 61.9449 37.5539 175.4241 177 A 4.4306 6.7929 119.9793 50.6013 22.3488 174.7205 178 I 4.4663 7.4391 119.7974 58.4058 39.7954 174.4433 179 P 4.3558 0.0000 0.0000 62.2955 32.0623 176.5995 180 K 4.1338 9.0006 120.2376 58.9636 33.3528 177.4365 181 V 4.8598 7.4405 119.3871 61.1329 35.2622 174.2690 182 I 4.9227 8.7044 128.2816 59.8421 39.9130 173.9915 183 H 5.4066 9.0226 125.8317 53.3930 32.9142 172.4528 184 S 4.8794 7.9272 118.3622 56.7427 66.7269 172.8537 185 D 5.3594 8.5353 119.7014 52.5117 40.7648 175.8215 186 Q 4.5958 8.4727 116.0842 56.0453 29.4022 177.1274 187 G 3.7101 8.4984 106.5565 45.3771 0.0000 174.8479 188 A 3.8147 8.6745 123.7792 55.3519 17.9916 179.9358 189 A 3.6812 7.5009 116.7954 55.5719 18.3036 179.4099 190 F 4.1084 7.2932 114.6527 60.1009 39.3092 177.1411 191 T 4.3562 7.6954 106.9330 61.1960 69.5737 175.2355 192 S 4.3529 7.1786 117.5320 58.5571 63.9560 175.6983 193 S 4.1370 8.9811 117.2199 62.6787 62.6619 177.3108 194 T 3.9083 7.7117 118.0177 66.7206 68.3859 175.8032 195 F 4.2972 8.5471 122.4480 61.1944 39.4490 177.1481 196 A 4.1943 8.2809 122.6509 55.5576 18.1556 180.2240 197 E 3.9219 8.9220 117.2969 61.1715 29.7068 181.4960 198 W 4.3207 8.1678 128.2687 60.3514 30.8606 177.7188 199 A 3.9313 8.1584 120.4612 54.8665 17.9343 179.1562 200 K 3.6624 8.0029 117.8189 60.0422 32.0112 178.4393 201 E 3.8844 7.5791 116.9612 59.0485 29.4368 178.8693 202 R 4.2932 7.3320 114.4027 54.8547 30.6949 176.6934 203 G 3.7542 7.9293 107.0249 46.1108 0.0000 173.4965 204 I 4.1468 7.3447 120.3984 60.4488 37.8574 175.2707 205 H 4.3930 9.3055 128.4709 55.9244 31.1026 173.6962 206 L 4.9673 8.2237 124.8358 53.1486 43.4209 175.3834 207 E 4.7505 8.6714 123.7649 54.3230 33.3635 174.4895 208 F 5.3731 8.5417 123.0916 55.3648 42.6850 174.4819 209 S 4.3556 8.9120 119.9737 58.3719 63.7810 174.2144 210 T 4.1134 8.7495 115.6841 61.0680 68.9783 172.0366 211 P 3.8882 0.0000 0.0000 64.3624 31.8035 177.2923 212 Y 3.8972 8.4762 120.2927 59.4581 36.7929 170.4041 *213 H 4.8839 7.7216 116.7910 51.0895 27.7512 177.4355 214 P 4.5571 0.0000 0.0000 62.6239 31.9969 176.5492 215 Q 4.5617 8.0385 119.3257 54.5219 31.9655 174.3129 216 S 4.2216 7.8542 118.5030 58.1094 66.0281 176.2066 217 S 4.3978 7.5410 116.8421 57.1836 63.9722 174.7709 218 G 3.6136 8.4192 108.3252 49.1092 0.0000 175.2877 219 K 3.7018 8.1912 120.3975 59.1661 32.1021 178.9484 220 V 3.4403 7.0946 117.6988 65.7203 31.4431 177.7658 221 E 3.8398 7.8410 118.2031 59.4828 29.2332 179.6228 222 R 3.9681 7.7371 117.5162 58.8418 30.2524 178.7916 223 K 3.8031 7.9958 119.4179 59.6522 32.1443 178.6506 224 N 4.2866 8.2018 116.4275 55.8284 38.2259 177.2700 225 S 4.0663 7.5212 113.9585 61.1995 62.5946 175.4251 226 D 4.3596 8.5744 122.0781 57.7179 40.5389 179.2928 227 I 3.6839 7.9276 122.1990 65.1086 37.2572 178.9733 228 K 3.7034 7.7193 124.1935 60.0697 31.3307 181.2008 229 R 4.5147 8.0722 120.1350 58.1791 29.8979 178.6647 230 L 3.8484 8.4673 120.5266 57.9565 41.6840 178.7625 231 L 3.8989 8.4136 120.4658 58.4533 42.2898 178.8659 232 T 3.9297 7.3886 108.5458 64.3105 68.6071 176.4812 233 K 3.9130 8.2702 121.9442 59.6211 32.8593 179.0338 234 L 4.7171 7.3562 118.9609 54.6827 42.2936 177.5293 235 L 4.6452 7.9011 120.7580 55.0986 44.7202 177.9830 236 V 3.9883 7.8864 116.3391 63.1868 32.7250 177.2504 237 G 3.7170 8.1695 108.8456 47.3617 0.0000 173.5242 238 R 4.6463 7.7002 119.0200 53.1397 33.8224 173.0181 239 P 4.9416 0.0000 0.0000 63.7879 29.7472 177.0087 240 T 4.5513 9.2790 109.0041 61.8400 67.9392 174.0776 241 K 4.6785 8.0943 120.3640 53.9835 31.5885 174.8848 242 W 4.6747 7.8091 119.4619 57.8978 30.1552 178.9025 243 Y 3.4313 6.7156 119.6616 60.4282 38.3764 177.9301 244 D 4.4977 8.1960 118.0042 56.5415 41.1842 177.6648 245 L 4.5309 8.3582 118.5143 54.9529 42.6002 178.1628 246 L 3.9435 7.5161 119.7980 57.6965 41.6073 177.6622 247 P 4.1851 0.0000 0.0000 65.5854 31.2452 178.8369 248 V 3.6132 7.6907 116.5884 65.7331 31.4883 177.7734 249 V 3.4247 7.7763 118.0785 66.3113 31.4494 177.6769 250 Q 3.8006 8.2080 119.1785 59.1072 28.7423 178.6440 251 L 3.8600 7.7035 119.5017 57.6528 41.7336 178.8036 252 A 2.6856 7.6628 120.6926 55.0773 17.9249 179.3326 253 L 3.6754 7.6042 116.1191 58.0671 41.9997 179.1776 254 N 4.0769 7.7193 114.0788 53.9766 38.5011 176.0401 255 N 4.8041 7.4101 116.0987 52.1667 40.3927 175.1972 256 T 3.8987 7.6463 118.8419 64.0601 69.1929 172.7889 257 Y 4.4780 8.4465 125.9753 57.1161 40.0706 174.2918 258 S 4.4087 7.0846 120.6437 55.6134 63.1857 172.1712 259 P 4.0939 0.0000 0.0000 65.4622 31.8026 177.4590 260 V 3.6263 7.7017 119.4601 65.4809 31.6863 176.5909 261 L 4.5554 7.3269 121.3664 53.3584 43.4683 178.6112 262 K 4.3674 8.0712 128.2491 52.8384 30.4720 172.6495 263 Y 5.1332 6.7512 118.5482 55.9587 42.6223 175.6219 264 T 4.6333 10.4035 115.6693 60.0118 71.1854 173.9733 265 P 4.3989 0.0000 0.0000 65.5876 31.5938 178.3689 266 H 4.3683 8.5638 116.3693 58.8157 29.5302 176.9229 267 Q 4.5614 7.6220 120.8159 57.8913 28.8558 178.0008 268 L 3.8642 7.9837 119.1822 57.3539 41.6512 179.1374 269 L 3.7542 8.1712 119.9328 57.6048 42.1205 178.1671 270 F 5.1055 7.2998 113.3674 56.6096 40.0347 176.9668 271 G 3.9285 9.0866 106.6672 45.3493 0.0000 172.7610 272 I 4.7111 7.2328 111.5713 58.7627 40.6953 173.7615 273 D 4.5989 8.5300 120.9886 53.9609 41.1867 176.7750 274 S 3.9773 8.5865 117.7584 58.9936 62.7411 173.6582 275 N 4.7928 8.6495 122.1553 53.7329 38.6449 176.1201 276 T 4.4915 8.0858 109.3903 59.0520 68.7803 171.9113 277 P 4.5912 0.0000 0.0000 63.1107 32.5586 176.6998 278 F 4.2829 8.4261 117.8139 57.8917 39.8749 174.9897 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 116 D 8.46 4.52 0.00 2.64 2.35 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 0.00 117 R 8.93 4.45 0.00 1.94 1.68 0.00 3.35 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.25 0.00 118 P 0.00 4.36 0.00 2.17 2.11 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 119 Q 8.49 4.13 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 120 K 8.15 4.62 0.00 1.80 1.66 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.56 7.81 121 P 0.00 4.54 0.00 1.22 1.58 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 122 F 8.75 4.33 0.00 3.35 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.02 4.55 0.00 3.00 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 0.00 124 K 7.92 4.78 0.00 1.74 1.52 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.35 1.12 7.81 125 F 9.41 5.52 0.00 2.89 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.25 5.27 0.00 2.96 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 0.00 127 I 7.93 5.61 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.25 1.02 0.00 0.00 128 D 8.15 4.68 0.00 2.81 2.54 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 0.00 129 Y 9.14 5.12 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 9.93 4.64 1.93 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 1.20 0.86 0.00 0.00 131 G 8.72 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 0.00 0.00 0.00 0.00 132 P 0.00 3.77 0.00 1.76 1.62 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 133 L 8.06 4.71 0.00 1.28 1.12 -0.36 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.14 0.00 2.15 2.15 0.00 3.55 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 2.03 2.17 0.00 135 P 0.00 4.31 0.00 2.08 2.11 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 136 S 8.73 4.28 0.00 3.06 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 0.00 137 Q 9.75 3.49 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.27 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 138 G 8.50 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 0.00 0.00 0.00 139 Y 7.99 4.45 0.00 3.16 3.22 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 0.00 0.00 0.00 0.00 140 L 8.90 4.98 0.00 1.74 1.47 1.04 0.92 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 0.00 141 Y 8.71 5.40 0.00 3.20 3.17 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 0.00 0.00 0.00 0.00 142 V 8.91 5.09 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 0.96 0.00 0.00 1.19 0.00 0.00 143 L 9.45 4.49 0.00 1.57 1.65 0.20 0.86 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 0.00 144 V 8.96 4.74 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 1.00 0.00 0.00 0.93 0.00 0.00 145 V 8.76 4.97 2.46 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 1.17 0.00 0.00 1.20 0.00 0.00 146 V 8.77 5.42 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 1.07 0.00 0.00 0.90 0.00 0.00 147 D 8.69 4.53 0.00 2.81 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 0.00 148 G 9.42 3.95 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 0.00 0.00 0.00 149 M 8.50 4.47 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 150 T 8.34 4.04 4.17 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 0.00 0.00 0.00 1.08 0.00 0.00 151 G 7.98 3.79 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 0.00 152 F 7.70 3.97 0.00 2.80 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.23 4.83 3.89 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 1.03 0.00 0.00 154 W 9.21 4.87 0.00 3.40 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 0.00 155 L 9.03 5.16 0.00 1.38 1.47 0.82 0.68 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 0.00 156 Y 8.75 4.87 0.00 2.99 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 0.00 157 P 0.00 5.22 0.00 1.90 2.08 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.47 0.00 158 T 9.20 5.20 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 1.66 0.00 0.00 159 K 8.91 4.20 0.00 1.70 1.82 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.42 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.09 0.85 7.81 160 A 7.20 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 2.97 0.00 1.19 0.60 0.00 3.07 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 1.31 0.92 0.00 162 S 6.87 4.53 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.47 3.74 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 1.30 0.00 0.00 164 S 7.72 3.91 0.00 3.90 3.79 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 0.00 165 A 8.11 4.30 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 0.00 166 T 8.17 3.95 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 1.14 0.00 0.00 167 V 8.78 3.17 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 1.13 0.00 0.00 0.66 0.00 0.00 168 K 7.78 4.01 0.00 1.84 1.84 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.40 7.81 169 S 7.85 4.06 0.00 3.91 3.49 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 0.00 170 L 7.89 4.16 0.00 1.56 1.85 0.92 0.73 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 0.00 171 N 8.31 4.50 0.00 3.08 2.92 0.00 0.00 6.85 7.22 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 0.00 172 V 7.01 3.56 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 0.85 0.00 0.00 0.95 0.00 0.00 173 L 7.63 4.04 0.00 1.78 1.76 -0.29 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 174 T 8.39 5.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 175 S 7.77 4.25 0.00 4.06 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 0.00 176 I 7.62 4.00 1.86 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 1.68 0.81 0.98 0.00 0.00 177 A 6.79 4.43 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 7.44 4.47 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.69 0.00 0.00 179 P 0.00 4.36 0.00 1.95 0.56 0.00 3.43 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.44 0.00 180 K 9.00 4.13 0.00 1.84 1.84 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.54 7.81 181 V 7.44 4.86 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 0.93 0.00 0.00 0.90 0.00 0.00 182 I 8.70 4.92 1.93 0.00 0.00 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 1.23 0.55 0.97 0.00 0.00 183 H 9.02 5.41 0.00 2.95 2.51 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 7.93 4.88 0.00 2.92 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 0.00 185 D 8.54 5.36 0.00 2.88 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 0.00 186 Q 8.47 4.60 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 187 G 8.50 3.71 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 0.00 0.00 0.00 188 A 8.67 3.81 1.19 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 0.00 0.00 189 A 7.50 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 7.29 4.11 0.00 3.32 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 0.00 191 T 7.70 4.36 4.12 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 0.62 0.00 0.00 192 S 7.18 4.35 0.00 4.03 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 0.00 193 S 8.98 4.14 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 T 7.71 3.91 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 1.29 0.00 0.00 195 F 8.55 4.30 0.00 3.22 3.18 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 0.00 196 A 8.28 4.19 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.92 3.92 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 198 W 8.17 4.32 0.00 3.28 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 0.00 199 A 8.16 3.93 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 0.00 200 K 8.00 3.66 0.00 1.89 1.92 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 201 E 7.58 3.88 0.00 2.00 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 2.25 2.30 0.00 202 R 7.33 4.29 0.00 1.22 1.55 0.00 2.21 0.00 0.00 2.41 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.00 203 G 7.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 I 7.34 4.15 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.34 0.88 0.00 0.00 205 H 9.31 4.39 0.00 3.14 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.22 4.97 0.00 1.55 1.32 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 216 S 7.85 4.22 0.00 3.64 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 7.54 4.40 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 G 8.42 3.61 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 0.00 0.00 0.00 219 K 8.19 3.70 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 220 V 7.09 3.44 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 0.45 0.00 0.00 0.53 0.00 0.00 221 E 7.84 3.84 0.00 2.22 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 2.23 2.39 0.00 222 R 7.74 3.97 0.00 1.90 1.90 0.00 3.08 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 223 K 8.00 3.80 0.00 1.89 1.68 0.00 1.40 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.38 7.81 224 N 8.20 4.29 0.00 2.84 2.82 0.00 0.00 6.73 7.07 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 0.00 225 S 7.52 4.07 0.00 4.05 3.95 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 0.00 226 D 8.57 4.36 0.00 2.78 2.64 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 0.00 227 I 7.93 3.68 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.84 0.00 0.00 228 K 7.72 3.70 0.00 1.70 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 229 R 8.07 4.51 0.00 1.79 1.95 0.00 3.08 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 230 L 8.47 3.85 0.00 1.69 1.90 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 231 L 8.41 3.90 0.00 1.71 1.76 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 232 T 7.39 3.93 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 1.17 0.00 0.00 233 K 8.27 3.91 0.00 1.97 2.08 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.46 7.81 234 L 7.36 4.72 0.00 1.65 1.75 0.92 0.91 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 0.00 235 L 7.90 4.65 0.00 1.66 1.73 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 236 V 7.89 3.99 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 0.83 0.00 0.00 0.93 0.00 0.00 237 G 8.17 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 R 7.70 4.65 0.00 1.81 1.90 0.00 3.25 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 239 P 0.00 4.94 0.00 2.23 1.71 0.00 3.42 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 240 T 9.28 4.55 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 1.27 0.00 0.00 241 K 8.09 4.68 0.00 1.81 1.75 0.00 1.85 0.00 0.00 0.67 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.32 7.81 242 W 7.81 4.67 0.00 3.57 3.31 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 0.00 243 Y 6.72 3.43 0.00 2.44 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 0.00 244 D 8.20 4.50 0.00 2.72 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 0.00 245 L 8.36 4.53 0.00 1.88 1.73 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 246 L 7.52 3.94 0.00 1.56 1.66 0.95 1.16 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 0.00 247 P 0.00 4.19 0.00 2.14 2.09 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 248 V 7.69 3.61 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 1.20 0.00 0.00 1.01 0.00 0.00 249 V 7.78 3.42 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 0.88 0.00 0.00 0.96 0.00 0.00 250 Q 8.21 3.80 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 251 L 7.70 3.86 0.00 2.03 1.79 1.03 1.01 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 0.00 252 A 7.66 2.69 0.68 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 0.00 253 L 7.60 3.68 0.00 1.53 1.48 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 254 N 7.72 4.08 0.00 2.32 1.91 0.00 0.00 6.91 6.53 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 0.00 255 N 7.41 4.80 0.00 2.92 3.03 0.00 0.00 6.96 7.64 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 0.00 256 T 7.65 3.90 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 1.14 0.00 0.00 257 Y 8.45 4.48 0.00 2.85 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 0.00 258 S 7.08 4.41 0.00 3.67 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 0.00 259 P 0.00 4.09 0.00 2.00 1.97 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 260 V 7.70 3.63 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 0.76 0.00 0.00 0.88 0.00 0.00 261 L 7.33 4.56 0.00 1.57 1.66 0.89 0.97 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 0.00 262 K 8.07 4.37 0.00 1.78 1.65 0.00 1.70 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 0.99 7.81 263 Y 6.75 5.13 0.00 2.95 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 0.00 264 T 10.40 4.63 4.47 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 1.39 0.00 0.00 265 P 0.00 4.40 0.00 2.04 2.03 0.00 4.03 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.86 0.00 266 H 8.56 4.37 0.00 3.48 3.45 0.00 5.77 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 0.00 267 Q 7.62 4.56 0.00 2.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 268 L 7.98 3.86 0.00 1.63 1.63 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 269 L 8.17 3.75 0.00 1.13 0.57 0.54 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 270 F 7.30 5.11 0.00 3.25 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 0.00 271 G 9.09 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 0.00 272 I 7.23 4.71 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 0.96 0.00 0.00 273 D 8.53 4.60 0.00 2.75 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 0.00 274 S 8.59 3.98 0.00 3.59 3.69 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 0.00 275 N 8.65 4.79 0.00 2.78 2.84 0.00 0.00 6.72 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 0.00 276 T 8.09 4.49 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 0.00 277 P 0.00 4.59 0.00 2.02 2.03 0.00 3.54 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 278 F 8.43 4.28 0.00 2.96 2.81 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 * Residues marked with a * may have inaccurate shift predictions.