NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 116 D 4.4941 8.4645 120.1921 52.1761 43.2133 175.3848 117 R 4.4269 7.9071 116.4754 51.6270 32.0926 175.6150 118 P 4.1762 0.0000 0.0000 61.5751 32.5778 175.5020 119 Q 3.9879 8.6540 119.7724 56.8469 29.0983 176.5452 120 K 4.6892 8.1008 118.7043 53.8548 36.8058 174.4291 121 P 4.4662 0.0000 0.0000 63.6375 31.7121 177.4797 122 F 3.9568 8.5419 116.8087 58.4097 37.9361 177.3933 123 D 4.2571 7.9796 121.6618 56.8998 41.0616 176.3971 124 K 4.6148 7.8802 119.2913 55.2716 35.9403 174.4035 125 F 5.6423 9.3103 126.7901 55.9984 41.6018 174.4421 126 F 5.3371 9.5637 123.2972 55.8544 40.8671 174.9614 127 I 5.5096 8.3497 116.9755 58.5705 41.0105 173.8241 128 D 4.8570 8.2260 121.1491 54.3578 44.6224 173.3511 129 Y 5.2776 8.9052 118.7746 56.4811 40.8603 175.6191 130 I 4.6032 10.0151 121.7565 59.2667 40.9038 176.1123 131 G 4.1100 8.5793 114.8526 43.7347 0.0000 169.4607 132 P 3.7993 0.0000 0.0000 62.3825 32.2816 175.2810 133 L 4.7759 8.1021 120.5992 51.6956 45.3658 174.4241 134 P 4.2581 0.0000 0.0000 62.6729 31.6202 175.3703 135 P 4.4440 0.0000 0.0000 63.1020 29.8133 174.6255 136 S 4.1268 8.5378 114.6727 58.0243 61.0073 173.4785 137 Q 3.0781 9.6353 125.5328 56.9211 26.1427 175.1267 138 G 3.8868 8.4004 104.6010 45.3318 0.0000 173.7220 139 Y 4.5777 8.0186 118.7617 56.5332 39.2701 176.0488 140 L 4.6154 8.8126 124.2628 55.7076 44.1481 175.5054 141 Y 5.4427 8.8704 115.3511 56.1999 43.0051 174.6467 142 V 5.1656 8.9632 119.1228 61.6068 35.5037 173.4683 143 L 4.4459 9.5432 130.7257 53.8409 43.4659 175.2359 144 V 4.3665 8.4956 127.7461 62.0251 33.0158 174.7014 145 V 5.0505 8.8513 127.8476 61.1305 34.6352 174.2996 146 V 4.9295 8.8541 127.0069 60.9194 34.9437 173.8611 147 D 4.7707 9.4877 129.1198 54.2082 41.4588 177.0957 148 G 4.0062 9.5713 114.5861 49.1523 0.0000 173.7979 149 M 4.5586 8.4065 118.4022 56.6310 33.6806 176.6130 150 T 4.0627 8.1585 107.8585 61.6891 69.5559 176.5786 151 G 3.8689 8.1774 109.1893 45.0847 0.0000 173.4542 152 F 3.8224 7.8479 122.6726 59.0141 40.4318 174.0573 153 T 5.0351 8.3118 121.2980 61.4899 71.7443 173.2649 154 W 4.7405 9.4785 126.0217 54.8028 32.2301 174.8170 155 L 5.1997 8.5678 123.7037 53.2454 44.0434 175.5869 156 Y 4.7762 8.7521 122.6834 55.2496 40.4357 173.5893 157 P 5.2994 0.0000 0.0000 63.0777 32.3610 175.7225 158 T 5.2482 9.4804 112.8988 60.2503 72.4236 174.5797 159 K 4.3906 8.9365 119.5977 57.0537 32.9202 176.6764 160 A 4.2633 7.2405 119.7941 50.5022 22.5383 174.4075 161 P 2.9700 0.0000 0.0000 61.5873 31.2066 176.6667 162 S 4.5359 6.8795 113.3444 57.6352 66.8508 174.2271 163 T 3.7418 8.2846 120.5142 67.1367 68.1363 176.3724 164 S 4.0187 7.9935 114.1759 61.5924 62.4685 175.8585 165 A 4.3090 7.8131 121.8233 54.1240 18.8132 179.4244 166 T 3.8970 8.0778 114.8817 66.5481 68.4249 176.9690 167 V 3.0374 8.0985 122.8188 66.2710 31.3628 178.4932 168 K 3.9079 7.6147 123.6871 60.3132 31.5018 180.8352 169 S 4.0685 7.8827 116.0800 61.2590 62.7876 176.6605 170 L 4.0084 7.6459 120.4683 56.4813 41.3625 179.2415 171 N 4.5850 8.1255 118.8718 55.7234 38.3374 177.0802 172 V 3.6020 6.9956 117.9181 66.1195 31.8418 177.4841 173 L 4.0475 7.5567 119.4598 58.2615 41.4992 178.4314 174 T 4.5614 8.5089 109.4906 62.3583 68.6938 175.9201 175 S 4.3391 7.7490 116.8331 61.0375 63.4899 175.2114 176 I 4.0633 7.7380 123.6965 61.5108 37.3940 175.1421 177 A 4.4718 6.7953 120.1070 50.5442 22.5419 174.7439 178 I 4.3134 7.5002 120.0346 58.4326 39.6350 174.4778 179 P 4.2577 0.0000 0.0000 62.1975 32.2477 176.6877 180 K 4.0575 9.3093 120.1415 59.0471 32.9927 177.3457 181 V 4.8251 7.4053 118.0243 60.9588 35.1473 174.0620 182 I 4.8187 8.6714 127.8638 59.8329 39.5749 173.8579 183 H 5.2181 8.8602 127.5223 54.4734 32.1425 173.3695 184 S 5.2715 8.3933 118.4769 57.4290 66.9380 172.9912 185 D 5.3464 8.6586 120.4525 52.0423 40.8134 175.4345 186 Q 4.5741 8.4515 115.3903 56.0250 29.4692 177.0070 187 G 3.5290 7.6306 103.3358 45.1017 0.0000 174.9130 188 A 3.7965 8.5197 122.8895 55.4738 17.9860 180.0981 189 A 4.0857 7.3702 118.2705 54.1270 18.2909 178.8267 190 F 4.4287 7.4844 114.6801 58.5867 39.8092 177.3295 191 T 4.5011 7.4860 106.9030 60.5452 69.5354 174.8311 192 S 4.4380 7.4041 117.0970 58.2156 64.2797 175.3414 193 S 4.1371 8.6709 116.4461 62.0154 62.6057 176.6643 194 T 3.9487 8.0624 117.8938 67.1811 68.2855 176.0884 195 F 4.4243 8.3179 121.5022 61.1063 39.5049 177.0557 196 A 4.1595 8.2589 122.7615 55.8077 18.1845 180.1330 197 E 4.0127 8.8392 117.2694 60.7753 29.0046 181.1884 198 W 4.1912 8.7991 129.2215 60.2668 30.6700 178.0153 199 A 3.7311 8.1110 120.7945 54.9881 17.8436 179.6033 200 K 3.7613 7.8424 117.8231 59.4775 32.0166 178.6462 201 E 3.8822 7.7484 118.2033 58.7729 29.3919 178.6385 202 R 4.3058 6.7289 115.0725 54.6941 30.6889 176.2119 203 G 3.7312 7.5458 106.4678 46.4950 0.0000 173.6236 204 I 4.2708 7.4839 121.0674 59.8548 38.2045 175.4059 205 H 4.3776 8.9315 128.1472 55.8578 31.0663 173.7328 206 L 4.7826 8.1192 125.4638 53.3025 43.2390 175.3740 207 E 4.6321 8.8911 124.9558 54.2011 32.5968 174.3632 208 F 5.4551 8.6227 124.7175 55.3287 41.9791 175.2640 209 S 4.5453 8.9984 118.8945 58.0937 64.6035 174.0473 210 T 4.0506 8.6125 112.9612 60.9340 69.2092 171.9778 211 P 4.1564 0.0000 0.0000 64.3682 31.9100 175.6552 212 Y 4.1807 8.4432 123.4333 59.1093 36.6547 169.9762 *213 H 4.7918 7.4167 115.6762 52.0247 27.1061 175.4582 214 P 4.6834 0.0000 0.0000 62.2192 32.3148 176.2944 215 Q 4.7502 8.2615 119.1124 55.4793 32.8567 174.3550 216 S 4.1205 8.1222 121.0860 57.2532 66.3497 173.7072 217 S 4.8290 7.9476 123.2089 57.2942 66.7141 174.6461 218 G 3.5995 8.4193 107.1052 48.0471 0.0000 175.0919 219 K 3.7165 7.9753 122.0836 59.1054 32.1072 178.8234 220 V 3.3763 7.1225 116.6090 65.8164 31.2326 177.6385 221 E 3.8665 7.6922 118.2708 59.4918 29.2353 179.6732 222 R 3.7986 7.7495 117.5733 59.1671 30.1502 178.8578 223 K 3.7511 7.9502 119.3051 59.8357 32.0078 178.5102 224 N 4.3038 8.5761 116.7679 55.9265 38.2348 177.4173 225 S 3.9931 7.7295 114.7488 61.3336 62.5198 175.3671 226 D 4.3521 8.1233 121.6952 57.7269 40.6679 179.0746 227 I 3.6890 7.9067 122.2277 65.1412 37.2045 179.0245 228 K 3.8727 7.6886 123.8671 59.9970 31.4803 181.1495 229 R 4.5576 8.1885 121.0976 58.5497 29.8341 178.6396 230 L 3.9402 8.5279 120.5429 58.3076 41.6106 179.1080 231 L 3.8972 8.1106 119.9727 58.3178 42.0620 178.7177 232 T 3.9518 7.8275 110.0662 64.4031 68.6113 176.5499 233 K 4.0016 8.6189 121.9694 59.6048 32.9376 179.5763 234 L 4.4004 7.4129 119.8336 54.3586 42.0427 177.6949 235 L 4.6420 7.7320 120.1257 55.9188 44.9102 177.9463 236 V 3.9502 7.5635 116.3307 63.3662 32.4959 177.7131 237 G 3.6072 8.2541 108.9978 47.8004 0.0000 173.7556 238 R 4.5679 7.6682 122.3527 52.8633 32.2224 173.9997 239 P 5.0383 0.0000 0.0000 63.9772 30.1100 176.9134 240 T 4.6796 9.0189 106.5710 61.7158 68.0889 173.6059 241 K 4.6460 7.8743 117.6086 55.1741 33.2165 177.6989 242 W 4.3419 8.3056 118.8441 59.3589 28.6955 176.9067 243 Y 3.6343 8.0772 121.6578 60.9577 38.1517 178.2551 244 D 4.4415 8.1361 118.3675 56.7910 41.2678 177.6195 245 L 4.3369 7.8558 118.2917 55.8808 42.6675 178.5881 246 L 3.9193 7.8238 119.2597 57.7390 41.6424 177.5718 247 P 4.1757 0.0000 0.0000 65.4921 31.1215 178.8763 248 V 3.5041 7.9490 117.2862 65.8624 31.5640 177.9223 249 V 3.3730 7.7629 117.5692 66.2077 31.1313 177.5362 250 Q 3.6902 7.9546 118.7050 59.1018 28.9469 178.1904 251 L 3.8134 7.5692 119.2389 57.7439 41.6788 178.9367 252 A 2.9840 7.9816 120.7397 55.1759 17.9266 179.4142 253 L 3.7282 7.8965 116.0494 58.1445 42.0530 179.4496 254 N 4.0631 7.9179 115.0225 54.7440 38.2717 176.2055 255 N 4.7327 7.5913 116.0098 52.4716 39.4828 175.3794 256 T 3.9432 7.2766 118.1077 64.1034 68.9475 172.2757 257 Y 4.6762 8.4077 125.2510 56.6223 39.7945 174.4053 258 S 4.3135 8.1839 122.5099 56.9031 62.4270 171.4856 259 P 3.8207 0.0000 0.0000 65.9966 31.3254 177.7467 260 V 3.6006 7.5039 116.8085 65.8397 31.9430 176.1944 261 L 4.3919 7.9737 122.4352 54.4439 42.4798 178.4112 262 K 4.6685 8.3908 121.1510 54.6834 31.5648 175.2287 263 Y 5.2384 7.8139 116.8465 57.0132 41.6756 174.5889 264 T 5.0002 8.9612 113.0687 59.3120 71.8638 173.8802 265 P 4.4195 0.0000 0.0000 65.4856 31.2698 178.0014 266 H 4.3826 8.5999 117.0509 59.8450 29.7343 176.8850 267 Q 4.4014 8.4029 120.7681 58.5876 28.4252 179.5042 268 L 3.9109 8.1387 119.0719 57.3658 41.7028 179.1261 269 L 3.8138 7.7556 119.3946 58.0230 42.2343 178.4766 270 F 4.7654 8.1511 115.5934 57.4194 39.2396 177.0493 271 G 3.9748 9.0299 106.3147 45.3655 0.0000 173.0510 272 I 4.6968 7.3382 111.0641 58.6340 40.4890 173.9187 273 D 4.4400 8.6616 121.8257 54.5856 41.1448 176.8646 274 S 4.1147 8.4580 118.0518 58.5519 62.9414 173.3917 275 N 4.7861 8.5491 121.6720 53.6630 38.6278 176.2337 276 T 4.5487 7.9792 109.4309 59.2580 68.8078 171.4717 277 P 4.6256 0.0000 0.0000 62.9017 32.6876 176.6075 278 F 4.2024 8.5038 118.6475 57.7913 39.7845 174.9655 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 4.49 0.00 2.64 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 0.00 117 R 7.91 4.43 0.00 1.92 1.68 0.00 3.36 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.25 0.00 118 P 0.00 4.18 0.00 2.17 2.13 0.00 3.77 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 2.01 2.05 0.00 119 Q 8.65 3.99 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 120 K 8.10 4.69 0.00 1.93 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.55 7.81 121 P 0.00 4.47 0.00 1.41 1.30 0.00 3.69 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 1.93 1.92 0.00 122 F 8.54 3.96 0.00 3.24 3.03 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 0.00 123 D 7.98 4.26 0.00 3.04 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 0.00 124 K 7.88 4.61 0.00 1.75 1.61 0.00 1.60 0.00 0.00 1.35 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.46 1.14 7.81 125 F 9.31 5.64 0.00 2.87 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 0.00 126 F 9.56 5.34 0.00 2.92 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 0.00 127 I 8.35 5.51 1.64 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.38 0.91 0.00 0.00 128 D 8.23 4.86 0.00 2.80 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 0.00 129 Y 8.91 5.28 0.00 2.92 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 0.00 130 I 10.02 4.60 1.92 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 0.84 0.85 0.00 0.00 131 G 8.58 4.11 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 0.00 0.00 0.00 132 P 0.00 3.80 0.00 1.86 1.54 0.00 3.40 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 133 L 8.10 4.78 0.00 1.48 1.35 -0.34 0.82 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 0.00 134 P 0.00 4.26 0.00 2.25 2.14 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 135 P 0.00 4.44 0.00 2.05 2.05 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 136 S 8.54 4.13 0.00 2.72 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 9.64 3.08 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 138 G 8.40 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 0.00 0.00 0.00 0.00 139 Y 8.02 4.58 0.00 3.06 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 0.00 140 L 8.81 4.62 0.00 1.74 1.40 0.98 0.89 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 0.00 141 Y 8.87 5.44 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 142 V 8.96 5.17 2.13 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 0.99 0.00 0.00 1.14 0.00 0.00 143 L 9.54 4.45 0.00 1.43 1.70 0.22 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.50 4.37 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 0.91 0.00 0.00 0.94 0.00 0.00 145 V 8.85 5.05 2.41 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 0.95 0.00 0.00 1.06 0.00 0.00 146 V 8.85 4.93 2.16 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 0.95 0.00 0.00 0.92 0.00 0.00 147 D 9.49 4.77 0.00 2.89 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 0.00 148 G 9.57 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 0.00 0.00 0.00 149 M 8.41 4.56 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 150 T 8.16 4.06 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 1.10 0.00 0.00 151 G 8.18 3.87 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 0.00 0.00 0.00 152 F 7.85 3.82 0.00 2.93 2.42 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 0.00 153 T 8.31 5.04 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 1.11 0.00 0.00 154 W 9.48 4.74 0.00 3.52 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 0.00 155 L 8.57 5.20 0.00 1.53 1.52 0.83 0.84 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 0.00 156 Y 8.75 4.78 0.00 2.97 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 0.00 157 P 0.00 5.30 0.00 2.00 2.13 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.52 0.00 158 T 9.48 5.25 4.50 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 1.66 0.00 0.00 159 K 8.94 4.39 0.00 1.73 1.85 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.50 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.17 0.90 7.81 160 A 7.24 4.26 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 1.35 0.83 0.00 3.19 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.00 162 S 6.88 4.54 0.00 3.94 3.83 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 0.00 163 T 8.28 3.74 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 1.34 0.00 0.00 164 S 7.99 4.02 0.00 3.86 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 0.00 165 A 7.81 4.31 1.37 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 0.00 0.00 166 T 8.08 3.90 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 1.12 0.00 0.00 167 V 8.10 3.04 2.13 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 0.92 0.00 0.00 0.71 0.00 0.00 168 K 7.61 3.91 0.00 1.74 1.84 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.39 7.81 169 S 7.88 4.07 0.00 3.73 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.65 4.01 0.00 1.43 1.68 0.89 0.71 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 0.00 171 N 8.13 4.58 0.00 3.10 2.95 0.00 0.00 6.87 6.96 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 0.00 172 V 7.00 3.60 2.25 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 0.95 0.00 0.00 1.06 0.00 0.00 173 L 7.56 4.05 0.00 1.63 1.52 -0.27 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 174 T 8.51 4.56 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 1.33 0.00 0.00 175 S 7.75 4.34 0.00 4.09 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 0.00 176 I 7.74 4.06 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.86 1.01 0.00 0.00 177 A 6.80 4.47 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 7.50 4.31 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 1.29 0.59 0.67 0.00 0.00 179 P 0.00 4.26 0.00 1.87 0.49 0.00 3.48 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 180 K 9.31 4.06 0.00 1.82 1.81 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.33 7.81 181 V 7.41 4.83 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 1.03 0.00 0.00 0.88 0.00 0.00 182 I 8.67 4.82 1.86 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.93 0.00 0.00 183 H 8.86 5.22 0.00 2.70 2.26 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.39 5.27 0.00 3.25 3.40 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 0.00 185 D 8.66 5.35 0.00 2.83 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 0.00 186 Q 8.45 4.57 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 187 G 7.63 3.53 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 0.00 188 A 8.52 3.80 1.17 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 0.00 0.00 189 A 7.37 4.09 0.94 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 0.00 0.00 190 F 7.48 4.43 0.00 3.30 3.09 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 0.00 0.00 0.00 0.00 191 T 7.49 4.50 4.08 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 0.76 0.00 0.00 192 S 7.40 4.44 0.00 4.08 4.07 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 0.00 193 S 8.67 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 8.06 3.95 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 1.30 0.00 0.00 195 F 8.32 4.42 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 0.00 196 A 8.26 4.16 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 0.00 197 E 8.84 4.01 0.00 1.93 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 8.80 4.19 0.00 3.36 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 0.00 199 A 8.11 3.73 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 0.00 200 K 7.84 3.76 0.00 1.92 1.74 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 201 E 7.75 3.88 0.00 1.98 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 2.25 2.29 0.00 202 R 6.73 4.31 0.00 1.35 1.54 0.00 2.21 0.00 0.00 2.42 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.11 0.00 203 G 7.55 3.73 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 0.00 0.00 0.00 204 I 7.48 4.27 1.74 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 1.07 0.31 0.86 0.00 0.00 205 H 8.93 4.38 0.00 3.16 3.08 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.12 4.78 0.00 1.50 1.15 1.15 0.83 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 216 S 8.12 4.12 0.00 3.52 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 0.00 217 S 7.95 4.83 0.00 3.97 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 0.00 218 G 8.42 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 0.00 0.00 0.00 219 K 7.98 3.72 0.00 1.76 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 220 V 7.12 3.38 1.44 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 0.44 0.00 0.00 0.29 0.00 0.00 221 E 7.69 3.87 0.00 2.18 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 2.33 0.00 222 R 7.75 3.80 0.00 1.96 1.90 0.00 3.07 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 223 K 7.95 3.75 0.00 1.89 1.80 0.00 1.41 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 224 N 8.58 4.30 0.00 2.90 2.82 0.00 0.00 6.69 7.29 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 0.00 225 S 7.73 3.99 0.00 3.94 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 0.00 226 D 8.12 4.35 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 I 7.91 3.69 1.81 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 1.28 0.57 0.85 0.00 0.00 228 K 7.69 3.87 0.00 1.72 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.37 7.81 229 R 8.19 4.56 0.00 1.79 1.96 0.00 3.11 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 230 L 8.53 3.94 0.00 1.69 1.80 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 231 L 8.11 3.90 0.00 1.76 1.80 0.71 0.85 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 0.00 232 T 7.83 3.95 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 1.16 0.00 0.00 233 K 8.62 4.00 0.00 1.94 2.08 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.47 7.81 234 L 7.41 4.40 0.00 1.77 1.74 0.91 0.85 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 0.00 235 L 7.73 4.64 0.00 1.63 1.72 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 236 V 7.56 3.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 237 G 8.25 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 0.00 238 R 7.67 4.57 0.00 1.83 1.93 0.00 3.25 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 239 P 0.00 5.04 0.00 2.20 1.94 0.00 3.14 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 2.02 2.06 0.00 240 T 9.02 4.68 4.31 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 1.24 0.00 0.00 241 K 7.87 4.65 0.00 1.78 1.76 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.34 7.81 242 W 8.31 4.34 0.00 3.57 3.35 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 0.00 243 Y 8.08 3.63 0.00 2.59 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 0.00 244 D 8.14 4.44 0.00 2.74 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 0.00 245 L 7.86 4.34 0.00 1.93 1.73 1.06 0.50 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 0.00 246 L 7.82 3.92 0.00 1.71 1.63 1.09 0.77 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 0.00 247 P 0.00 4.18 0.00 2.10 2.06 0.00 3.50 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 248 V 7.95 3.50 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 0.99 0.00 0.00 0.96 0.00 0.00 249 V 7.76 3.37 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 0.87 0.00 0.00 0.97 0.00 0.00 250 Q 7.95 3.69 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 251 L 7.57 3.81 0.00 1.80 1.64 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 252 A 7.98 2.98 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 0.00 253 L 7.90 3.73 0.00 1.48 1.51 0.78 0.93 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 0.00 254 N 7.92 4.06 0.00 2.33 2.08 0.00 0.00 6.97 6.23 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 0.00 255 N 7.59 4.73 0.00 2.83 2.98 0.00 0.00 6.96 6.88 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 0.00 256 T 7.28 3.94 4.38 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 1.16 0.00 0.00 257 Y 8.41 4.68 0.00 2.94 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 0.00 258 S 8.18 4.31 0.00 3.76 3.87 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 0.00 259 P 0.00 3.82 0.00 1.93 1.96 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 260 V 7.50 3.60 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 0.87 0.00 0.00 261 L 7.97 4.39 0.00 1.82 1.70 0.92 0.72 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 0.00 262 K 8.39 4.67 0.00 1.78 1.69 0.00 1.64 0.00 0.00 1.40 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 0.99 7.81 263 Y 7.81 5.24 0.00 3.05 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 0.00 264 T 8.96 5.00 4.38 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 1.45 0.00 0.00 265 P 0.00 4.42 0.00 2.03 2.17 0.00 4.09 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 2.11 1.91 0.00 266 H 8.60 4.38 0.00 3.47 3.42 0.00 5.80 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 0.00 267 Q 8.40 4.40 0.00 2.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 268 L 8.14 3.91 0.00 1.74 1.68 1.02 0.90 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 0.00 269 L 7.76 3.81 0.00 1.41 1.30 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 270 F 8.15 4.77 0.00 3.05 3.03 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 0.00 271 G 9.03 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 0.00 272 I 7.34 4.70 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 0.96 0.00 0.00 273 D 8.66 4.44 0.00 2.72 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 0.00 274 S 8.46 4.11 0.00 3.25 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 N 8.55 4.79 0.00 2.75 2.82 0.00 0.00 6.71 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 7.98 4.55 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 277 P 0.00 4.63 0.00 2.02 2.01 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 1.98 2.08 0.00 278 F 8.50 4.20 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.