NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 193 A 4.1936 8.2644 123.5862 51.6983 21.0590 176.3508 194 R 3.9936 7.6796 123.4383 53.5324 30.3201 174.8141 195 P 4.2459 0.0000 0.0000 62.6518 33.8339 176.4164 196 A 3.9337 8.6586 124.0073 55.3631 18.3608 179.6315 197 F 3.9571 8.0927 118.4361 61.5071 39.3386 177.2607 198 V 2.9009 7.1987 117.1056 65.7759 31.1884 177.5691 199 N 4.1313 7.5744 115.6527 56.0965 38.3866 177.2654 200 K 3.7790 7.8652 121.0266 59.2011 32.2147 178.4541 201 L 3.5394 7.7259 120.7609 57.8322 42.0073 178.6016 202 W 4.9551 8.1348 119.1117 60.4749 29.0020 178.2561 203 S 4.2210 8.3023 114.8108 62.1413 62.1253 176.7548 204 M 3.9885 7.3515 119.4882 57.9677 30.8476 178.4112 205 V 3.5158 7.5244 118.2063 65.4050 31.6556 177.2601 206 N 4.6459 8.1610 115.1854 54.3187 38.7939 175.4818 207 D 4.4720 8.0150 120.5087 54.3069 42.1801 177.2472 208 K 4.0519 8.7740 126.7311 59.5681 32.5084 178.9304 209 S 4.3204 8.3102 113.9376 60.6557 62.8908 174.5276 210 N 5.1570 7.9069 115.6697 52.5512 39.4286 175.6682 211 E 3.9011 8.1004 119.8398 59.6865 29.5353 178.5861 212 K 3.9058 7.7368 117.8921 58.6144 32.0778 177.8107 213 F 4.9118 7.5805 116.9378 57.7612 39.9290 175.4266 214 I 4.9369 7.9124 118.2187 59.8454 41.1504 173.8744 215 H 4.7792 8.5821 123.4784 54.1734 32.4460 172.4927 216 W 4.8576 8.5581 118.5868 56.3015 29.5737 176.6496 217 S 4.5727 9.3204 118.6752 58.2900 62.8553 175.2818 218 T 3.9809 8.6661 113.2022 64.2869 68.7173 175.7126 219 S 4.2693 8.1505 115.5211 58.5369 63.7153 175.2710 220 G 4.0238 7.8960 107.8089 45.3564 0.0000 173.9954 221 E 4.2953 7.7927 117.8661 58.0830 29.9227 176.2045 222 S 5.4693 8.0506 112.5124 57.0025 67.6118 172.4686 223 I 4.5661 8.9581 120.8683 59.4671 39.4142 175.0345 224 V 4.5903 8.7249 127.4728 61.1093 34.0900 174.5333 225 V 4.5532 8.6479 128.1530 59.4718 32.2202 173.6225 226 P 4.3100 0.0000 0.0000 64.9982 32.2070 176.1980 227 N 4.8606 8.1239 118.1319 50.9772 40.6501 174.0464 228 R 3.6681 9.1007 127.0822 59.7688 29.9966 177.8796 229 E 3.8574 8.1386 117.2613 59.6289 29.4797 179.5616 230 R 3.8539 8.1223 117.4865 58.9828 30.1070 178.9452 231 F 4.0725 8.4448 120.6567 61.3903 39.2449 177.4495 232 V 3.2778 7.7058 116.6367 65.5015 31.2715 177.4712 233 Q 3.9736 7.5958 118.5903 58.7308 29.1620 177.1512 234 E 3.9946 7.5180 117.8609 58.6551 30.1163 178.6548 235 V 3.7785 6.9336 117.5142 65.5350 31.8373 177.4815 236 L 3.9630 6.8981 118.4835 57.7291 41.3680 177.9978 237 P 4.3843 0.0000 0.0000 64.7727 31.2838 177.9290 238 K 3.9997 7.8924 116.3205 57.6235 32.0532 176.9889 239 Y 4.1818 7.5974 115.6153 58.0203 39.5493 175.3103 240 F 5.0274 8.2090 116.6208 55.3037 42.9841 175.2332 241 K 4.1846 8.8515 121.6303 60.2329 33.1209 178.2742 242 H 4.2310 8.4034 116.0308 57.2953 29.1732 175.9260 243 S 3.7046 8.0593 109.9642 58.8090 61.4565 171.1002 244 N 5.0717 7.2476 121.0226 50.7428 42.0554 174.9237 245 F 4.1486 8.8969 123.7170 61.5459 39.4257 177.1353 246 A 3.9257 8.1258 119.7086 55.5167 18.1694 179.5367 247 S 3.9222 8.5918 113.6305 61.5676 62.8315 176.6706 248 F 3.8758 7.7300 122.7283 61.4597 39.0596 177.4533 249 V 3.0164 7.5472 117.7573 65.5054 31.0585 178.2966 250 R 3.7128 7.6573 117.9772 59.3896 30.0748 179.0294 251 Q 3.4938 7.5660 117.6261 58.4494 28.4481 179.0591 252 L 3.9357 7.2922 120.1338 57.8440 41.6637 178.9956 253 N 4.3254 7.9584 117.8905 55.9929 38.2727 176.8895 254 M 3.7828 7.7458 118.3344 57.8036 32.0658 176.2471 255 Y 4.6974 7.2110 114.6577 57.6420 38.5514 176.9146 256 G 3.8647 8.3692 108.7253 44.9838 0.0000 174.2171 257 W 4.8860 8.3029 121.0519 56.3684 30.1213 175.2311 258 H 5.1897 9.3076 122.0200 53.4124 32.2335 173.4248 259 K 4.5627 8.9629 122.6358 56.5423 32.9704 176.3837 260 V 3.9507 8.4692 127.8167 62.2834 31.9583 176.1294 261 Q 4.0117 8.6621 126.8764 55.7189 29.2083 175.6581 262 D 4.3806 8.1148 120.4121 54.2492 41.8596 175.4205 *273 D 4.5861 8.0796 119.5052 53.8139 42.7439 176.5632 274 S 4.7634 7.7753 110.7695 58.4276 64.7561 172.2321 275 R 4.9377 7.9751 121.6576 55.0806 30.9755 175.1279 276 W 4.5169 9.1371 126.6143 54.7726 32.4766 174.6824 277 E 4.9108 8.0659 123.2955 54.5869 32.5244 173.7307 278 F 5.8822 9.3060 125.9002 55.9082 42.3117 174.4076 279 E 5.7493 9.8116 120.0361 55.0341 33.7631 175.2863 280 N 4.4383 8.1229 116.5223 53.1066 37.4426 174.1922 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 193 A 8.26 4.19 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 0.00 194 R 7.68 3.99 0.00 1.88 1.88 0.00 3.29 0.00 0.00 3.53 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 195 P 0.00 4.25 0.00 1.58 1.70 0.00 3.51 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 196 A 8.66 3.93 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 0.00 197 F 8.09 3.96 0.00 3.19 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 0.00 198 V 7.20 2.90 1.75 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 0.03 0.00 0.00 0.49 0.00 0.00 199 N 7.57 4.13 0.00 2.83 2.81 0.00 0.00 6.67 8.50 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 0.00 200 K 7.87 3.78 0.00 1.67 1.66 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.06 1.24 7.81 201 L 7.73 3.54 0.00 0.96 1.23 0.80 0.58 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 0.00 202 W 8.13 4.96 0.00 3.53 3.14 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 0.00 203 S 8.30 4.22 0.00 4.04 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 0.00 204 M 7.35 3.99 0.00 0.78 1.81 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.23 0.00 205 V 7.52 3.52 1.74 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 -0.34 0.00 0.00 0.65 0.00 0.00 206 N 8.16 4.65 0.00 2.85 2.95 0.00 0.00 6.96 7.34 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 0.00 207 D 8.01 4.47 0.00 2.97 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 0.00 208 K 8.77 4.05 0.00 1.86 1.81 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.48 7.81 209 S 8.31 4.32 0.00 4.02 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 0.00 210 N 7.91 5.16 0.00 2.98 3.05 0.00 0.00 6.42 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 0.00 211 E 8.10 3.90 0.00 1.98 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 2.32 2.36 0.00 212 K 7.74 3.91 0.00 1.43 0.82 0.00 1.50 0.00 0.00 0.94 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.03 1.29 7.81 213 F 7.58 4.91 0.00 3.32 3.24 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 0.00 214 I 7.91 4.94 1.58 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 1.00 0.00 0.00 215 H 8.58 4.78 0.00 3.23 3.47 0.00 5.31 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 W 8.56 4.86 0.00 3.23 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 0.00 217 S 9.32 4.57 0.00 4.13 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 T 8.67 3.98 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 1.24 0.00 0.00 219 S 8.15 4.27 0.00 4.16 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 0.00 220 G 7.90 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 0.00 221 E 7.79 4.30 0.00 2.12 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 0.00 2.39 2.30 0.00 222 S 8.05 5.47 0.00 4.30 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 I 8.96 4.57 1.68 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.01 0.60 0.00 0.00 224 V 8.72 4.59 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 0.92 0.00 0.00 1.00 0.00 0.00 225 V 8.65 4.55 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 0.56 0.00 0.00 226 P 0.00 4.31 0.00 2.03 2.16 0.00 3.85 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 2.21 2.12 0.00 227 N 8.12 4.86 0.00 2.74 2.78 0.00 0.00 6.80 7.65 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 0.00 228 R 9.10 3.67 0.00 1.69 1.77 0.00 2.26 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 229 E 8.14 3.86 0.00 2.19 1.95 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 2.34 2.36 0.00 230 R 8.12 3.85 0.00 2.21 2.26 0.00 3.24 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 231 F 8.44 4.07 0.00 3.12 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 0.00 232 V 7.71 3.28 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 0.78 0.00 0.00 0.99 0.00 0.00 233 Q 7.60 3.97 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 234 E 7.52 3.99 0.00 1.16 1.53 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 2.20 2.17 0.00 235 V 6.93 3.78 1.78 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 1.30 0.00 0.00 1.11 0.00 0.00 236 L 6.90 3.96 0.00 1.62 1.65 0.71 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 237 P 0.00 4.38 0.00 1.91 2.05 0.00 3.43 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 238 K 7.89 4.00 0.00 1.34 1.31 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.27 1.31 7.81 239 Y 7.60 4.18 0.00 2.58 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 0.00 0.00 0.00 0.00 240 F 8.21 5.03 0.00 2.98 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 0.00 241 K 8.85 4.18 0.00 1.81 1.91 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.38 1.26 7.81 242 H 8.40 4.23 0.00 3.19 3.39 0.00 5.85 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 S 8.06 3.70 0.00 4.02 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 N 7.25 5.07 0.00 2.96 2.89 0.00 0.00 5.72 8.12 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 0.00 245 F 8.90 4.15 0.00 2.99 3.05 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 0.00 0.00 0.00 246 A 8.13 3.93 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 0.00 247 S 8.59 3.92 0.00 3.86 3.80 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 0.00 0.00 0.00 248 F 7.73 3.88 0.00 2.84 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 0.00 249 V 7.55 3.02 1.74 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 1.10 0.00 0.00 0.11 0.00 0.00 250 R 7.66 3.71 0.00 1.88 1.78 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 251 Q 7.57 3.49 0.00 1.37 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 252 L 7.29 3.94 0.00 1.36 1.58 -0.65 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 253 N 7.96 4.33 0.00 2.82 2.74 0.00 0.00 6.17 8.52 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 0.00 254 M 7.75 3.78 0.00 1.52 1.71 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.14 0.00 255 Y 7.21 4.70 0.00 3.29 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 256 G 8.37 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 0.00 0.00 0.00 257 W 8.30 4.89 0.00 3.43 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 0.00 258 H 9.31 5.19 0.00 3.21 3.29 0.00 5.81 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 0.00 259 K 8.96 4.56 0.00 1.94 1.70 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.00 7.81 260 V 8.47 3.95 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 0.79 0.00 0.00 1.07 0.00 0.00 261 Q 8.66 4.01 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 262 D 8.11 4.38 0.00 2.53 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *273 D 8.08 4.59 0.00 2.73 2.72 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 0.00 274 S 7.78 4.76 0.00 3.94 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 0.00 275 R 7.98 4.94 0.00 1.85 1.85 0.00 3.17 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 276 W 9.14 4.52 0.00 3.38 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 0.00 277 E 8.07 4.91 0.00 1.90 1.64 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 2.31 2.35 0.00 278 F 9.31 5.88 0.00 3.12 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 0.00 279 E 9.81 5.75 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 280 N 8.12 4.44 0.00 2.46 1.63 0.00 0.00 5.91 7.56 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 * Residues marked with a * may have inaccurate shift predictions.