NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 147 P 4.3492 0.0000 0.0000 62.2986 33.3855 175.4682 148 T 4.4780 7.6082 111.1452 59.1767 70.8483 170.4398 149 S 4.8638 8.5041 117.8813 55.8373 65.6178 174.2165 150 I 3.3690 8.6593 126.7680 63.9856 37.7432 177.8181 151 L 4.1293 7.5896 118.5671 56.7737 41.5128 177.3897 152 D 4.5297 7.9595 117.2642 54.7351 41.2002 176.3599 153 I 4.2780 7.3671 121.6678 60.2318 37.1711 175.2969 154 R 4.9598 8.2634 121.3709 54.1684 32.5907 174.6284 155 Q 3.9938 8.2361 123.9311 55.6383 29.5506 176.1668 156 G 3.8782 9.3886 114.6268 45.3844 0.0000 172.7871 157 P 4.3784 0.0000 0.0000 64.7952 31.4661 177.3453 158 K 4.4958 7.8594 115.6273 55.6218 33.0375 174.6688 159 E 4.3458 8.0299 121.4653 54.8670 30.2861 175.4331 160 P 4.4272 0.0000 0.0000 62.6432 33.2207 176.9649 161 F 4.2883 9.0208 123.5088 61.6873 39.3784 177.3173 162 R 3.8953 8.2840 117.6818 59.7822 29.7541 178.0638 163 D 4.3834 8.0425 118.0892 57.2486 40.8645 177.9365 164 Y 4.2115 7.8572 119.7073 60.7217 38.8434 178.1493 165 V 3.0005 7.5496 119.5035 65.8779 31.5577 177.7439 166 D 4.4003 8.0126 118.5478 57.5194 40.7160 178.9656 167 R 3.9327 8.1015 118.6029 59.0265 29.9392 178.9406 168 F 3.7719 8.2277 120.7989 61.5672 39.3139 176.9398 169 Y 4.0312 8.5254 116.7349 60.7542 37.4032 178.3609 170 K 3.9378 8.0042 118.7692 59.9329 32.4021 179.0996 171 T 3.9070 7.8644 115.8282 66.4177 68.2950 176.4719 172 L 3.7497 7.7795 122.4280 58.1880 41.8756 179.3143 173 R 3.9741 8.1482 116.9908 58.7840 30.0510 178.1891 174 A 4.2571 7.4352 118.5547 52.1879 19.2623 177.1965 175 E 3.9476 7.4081 119.1380 55.8196 30.2408 176.1322 176 Q 4.2092 8.5104 125.2114 55.6174 29.0643 174.9692 177 A 4.3454 7.8153 124.0822 50.2520 21.7306 176.1976 178 S 4.4420 7.9404 114.9708 57.9760 65.3263 175.1844 179 Q 3.9885 8.6007 123.3775 59.3725 28.8169 178.3506 180 E 4.0699 8.1514 118.2636 59.2205 29.8815 179.0954 181 V 3.8392 8.0438 119.3527 65.7576 31.5877 178.1303 182 K 4.0825 8.4183 118.6375 59.6256 31.9139 179.0741 183 N 4.4882 8.5384 116.8567 56.0047 38.4468 177.3349 184 W 4.3018 8.5007 129.8982 60.6998 30.7620 177.8087 185 M 3.6045 8.7579 119.0681 58.6730 31.1133 178.9897 186 T 3.9280 8.0622 115.5718 66.8301 68.4935 176.7633 187 E 3.9657 8.5316 119.6730 58.8823 29.7007 178.7026 188 T 4.1874 7.4783 109.0666 63.9156 69.6473 177.1676 189 L 3.9421 7.9484 123.1931 56.5776 41.4745 179.1033 190 L 3.1460 6.9972 119.0998 58.0521 42.0503 179.0766 191 V 3.7566 7.5325 117.4474 65.9861 31.3880 177.4535 192 Q 3.9820 7.8031 118.1431 58.7565 29.1256 177.1951 193 N 4.7769 8.3238 114.9110 52.0212 38.9237 174.9418 194 A 4.0256 7.0340 124.0811 51.3973 19.3607 177.8649 195 N 4.6092 8.8617 118.5544 51.5388 39.6909 174.5653 196 P 4.1862 0.0000 0.0000 66.0751 31.4633 178.7386 197 D 4.3043 7.9358 116.7836 57.6054 40.8180 178.4805 198 C 4.0156 8.5625 117.4626 62.4942 28.0177 175.9582 199 K 3.8512 8.5958 121.5651 59.9086 31.7419 178.8601 200 T 3.8222 7.8914 115.8338 66.6913 68.2754 176.7254 201 I 3.6486 7.5598 121.1541 64.3872 37.0898 178.4702 202 L 3.9378 8.0478 120.0915 57.7919 41.1679 179.8356 203 K 3.9623 8.1462 117.5839 59.1722 32.0385 179.0090 204 A 4.1000 7.7456 120.3488 54.6014 18.2229 179.5044 205 L 4.1013 7.3627 116.9509 57.6009 42.2942 177.7784 206 G 3.9143 8.0806 102.9069 43.6024 0.0000 171.2024 207 P 4.3372 0.0000 0.0000 65.6962 31.2840 178.1740 208 G 3.8184 8.0287 104.3684 45.8514 0.0000 173.3779 209 A 4.3245 7.4006 122.8539 52.0068 19.1304 178.4159 210 T 4.4334 8.4812 112.3549 60.8503 71.5022 176.5021 211 S 4.2515 8.4860 116.5077 61.5672 62.9966 176.3665 212 E 3.9613 8.1447 121.8343 59.1179 29.2662 178.5866 213 E 3.9134 8.1529 119.2553 59.5351 29.5656 178.6852 214 M 3.9771 8.1978 118.6186 58.9344 31.8911 178.8147 215 M 4.4532 8.2148 117.3818 58.7479 32.3016 178.7325 216 T 4.0408 8.3387 116.0628 66.5238 68.4063 176.7169 217 A 4.0193 8.0692 121.7513 54.3379 18.6504 178.3918 218 C 4.4850 7.5102 113.4232 59.5169 28.5392 175.4444 219 Q 4.2449 7.6998 120.4434 58.2517 28.1134 174.8695 220 G 3.6723 7.7282 111.9609 44.6238 0.0000 174.8340 221 V 4.3388 8.0218 120.6999 60.6817 35.4469 176.2097 222 G 4.2246 8.7612 105.9811 45.3803 0.0000 176.0687 223 G 4.1447 8.1251 118.4064 45.0870 0.0000 173.1312 *224 P 4.2019 0.0000 0.0000 61.9120 31.4839 176.2679 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 147 P 0.00 4.35 0.00 2.16 2.24 0.00 3.39 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.06 0.00 148 T 7.61 4.48 4.22 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 1.16 0.00 0.00 149 S 8.50 4.86 0.00 3.86 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 0.00 150 I 8.66 3.37 1.74 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 0.81 0.58 0.79 0.00 0.00 151 L 7.59 4.13 0.00 1.70 1.70 0.93 0.93 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 0.00 152 D 7.96 4.53 0.00 2.71 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 0.00 153 I 7.37 4.28 1.98 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 1.25 0.56 1.08 0.00 0.00 154 R 8.26 4.96 0.00 1.70 1.86 0.00 3.04 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 155 Q 8.24 3.99 0.00 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 156 G 9.39 3.88 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 0.00 0.00 0.00 157 P 0.00 4.38 0.00 2.17 2.18 0.00 3.69 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 1.98 1.98 0.00 158 K 7.86 4.50 0.00 1.80 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.37 7.81 159 E 8.03 4.35 0.00 1.95 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 2.38 2.32 0.00 160 P 0.00 4.43 0.00 2.25 2.02 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 161 F 9.02 4.29 0.00 3.17 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.28 3.90 0.00 1.99 1.98 0.00 3.26 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 163 D 8.04 4.38 0.00 2.90 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 0.00 164 Y 7.86 4.21 0.00 3.11 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 0.00 165 V 7.55 3.00 1.83 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 1.08 0.00 0.00 0.06 0.00 0.00 166 D 8.01 4.40 0.00 3.03 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 0.00 167 R 8.10 3.93 0.00 2.02 1.99 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 168 F 8.23 3.77 0.00 2.61 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 0.00 169 Y 8.53 4.03 0.00 3.11 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 0.00 170 K 8.00 3.94 0.00 1.79 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.69 7.81 171 T 7.86 3.91 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 1.10 0.00 0.00 172 L 7.78 3.75 0.00 1.43 1.77 0.76 1.18 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 0.00 173 R 8.15 3.97 0.00 1.95 1.99 0.00 3.21 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 174 A 7.44 4.26 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 7.41 3.95 0.00 2.07 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 2.25 2.30 0.00 176 Q 8.51 4.21 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 177 A 7.82 4.35 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 0.00 178 S 7.94 4.44 0.00 4.07 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 0.00 179 Q 8.60 3.99 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 180 E 8.15 4.07 0.00 2.27 2.22 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 2.37 2.35 0.00 181 V 8.04 3.84 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 1.15 0.00 0.00 0.93 0.00 0.00 182 K 8.42 4.08 0.00 2.05 1.91 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.76 7.81 183 N 8.54 4.49 0.00 2.97 2.96 0.00 0.00 6.67 7.20 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 0.00 184 W 8.50 4.30 0.00 3.41 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 M 8.76 3.60 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.49 0.00 186 T 8.06 3.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 187 E 8.53 3.97 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 188 T 7.48 4.19 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 0.80 0.00 0.00 189 L 7.95 3.94 0.00 2.02 1.93 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.00 3.15 0.00 0.47 1.43 -0.51 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 191 V 7.53 3.76 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 0.96 0.00 0.00 0.91 0.00 0.00 192 Q 7.80 3.98 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 193 N 8.32 4.78 0.00 3.05 2.99 0.00 0.00 6.91 7.78 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 0.00 194 A 7.03 4.03 1.40 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 0.00 0.00 195 N 8.86 4.61 0.00 2.93 2.86 0.00 0.00 7.32 8.00 0.00 0.00 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 P 0.00 4.19 0.00 2.15 2.13 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 197 D 7.94 4.30 0.00 2.66 2.67 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 0.00 198 C 8.56 4.02 0.00 3.18 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 0.00 199 K 8.60 3.85 0.00 1.93 1.86 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.57 7.81 200 T 7.89 3.82 4.37 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 1.18 0.00 0.00 201 I 7.56 3.65 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 1.45 1.34 0.81 0.00 0.00 202 L 8.05 3.94 0.00 1.77 1.68 1.01 1.04 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 0.00 203 K 8.15 3.96 0.00 1.81 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.76 1.58 7.81 204 A 7.75 4.10 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 0.00 205 L 7.36 4.10 0.00 1.71 1.71 0.87 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 206 G 8.08 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 0.00 207 P 0.00 4.34 0.00 2.33 2.34 0.00 3.44 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 2.09 2.09 0.00 208 G 8.03 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 0.00 0.00 0.00 209 A 7.40 4.32 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 0.00 210 T 8.48 4.43 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 1.23 0.00 0.00 211 S 8.49 4.25 0.00 4.18 4.28 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 0.00 212 E 8.14 3.96 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 213 E 8.15 3.91 0.00 2.07 2.18 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 2.30 2.36 0.00 214 M 8.20 3.98 0.00 2.25 2.48 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.60 0.00 215 M 8.21 4.45 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.89 0.00 216 T 8.34 4.04 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 1.21 0.00 0.00 217 A 8.07 4.02 1.24 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 0.00 0.00 218 C 7.51 4.48 0.00 2.51 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 0.00 219 Q 7.70 4.24 0.00 2.19 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.39 0.00 220 G 7.73 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 0.00 0.00 0.00 221 V 8.02 4.34 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 0.81 0.00 0.00 0.90 0.00 0.00 222 G 8.76 4.22 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 0.00 0.00 0.00 223 G 8.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *224 P 0.00 4.20 0.00 1.87 1.89 0.00 3.67 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 1.85 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.