NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 4.1425 8.0549 119.8205 61.3968 34.1267 173.7236 11 L 4.3917 8.2123 117.4645 54.8767 43.0531 174.5090 12 T 4.9116 8.5471 121.0414 61.9278 70.8351 174.3369 13 V 3.5444 9.0713 129.7405 65.7102 32.2081 177.2314 *25 K 4.1019 7.7721 120.7184 53.1258 33.1139 175.1314 26 P 4.8157 0.0000 0.0000 61.9024 31.9536 176.9947 27 L 3.8961 9.2923 123.3416 58.4456 41.8625 179.6750 28 R 3.9597 8.0425 115.4598 59.4533 29.1237 178.4262 29 D 4.4032 8.2681 119.7295 57.1801 40.7774 178.7940 30 S 4.1568 8.1031 115.9245 61.2875 62.8657 176.8750 31 V 3.5139 7.6492 120.6464 65.7523 31.3648 177.8731 32 K 3.8629 7.9581 118.2419 59.5861 31.9882 178.7164 33 Q 3.9259 8.0502 119.2940 59.4636 28.9524 178.4563 34 A 3.9867 7.9074 121.4255 55.3281 18.3454 179.6626 35 L 3.6279 7.7502 117.0345 57.4282 41.6251 179.6762 36 K 3.9847 8.0831 118.5002 59.8349 31.8831 179.0557 37 N 4.4853 7.9912 115.0922 56.3987 38.5453 176.7367 38 Y 4.1364 7.8971 120.9167 60.6550 38.8748 177.6823 39 F 4.5261 8.4959 118.8292 60.8232 38.8611 177.3505 40 A 4.0562 8.3565 119.2797 55.1416 18.0647 178.5528 41 Q 4.3739 7.3222 114.3847 55.9876 29.2885 177.4100 42 L 3.8387 8.0594 122.8407 58.0168 42.4208 177.0315 43 N 4.3324 9.0290 112.1771 54.5266 35.6467 174.4803 44 G 3.8540 7.8441 100.2720 46.2371 0.0000 172.2403 45 Q 4.2779 7.7680 120.2497 55.1015 29.9288 174.6433 46 D 4.8641 8.3731 121.2180 52.7515 42.1441 176.6898 47 V 4.5742 8.3259 122.7688 60.1019 33.7724 174.8938 48 N 5.1702 8.8954 119.4711 52.2276 38.4849 174.5414 49 D 4.7786 7.9280 117.3774 52.0729 40.0785 176.9057 50 L 3.8570 8.5793 123.9007 59.5371 41.8120 177.3081 51 Y 3.9836 8.0629 118.6452 60.9064 38.8548 177.5878 52 E 3.8521 8.3506 119.5680 59.1712 29.4579 178.4578 53 L 3.8698 7.6676 119.6501 58.0386 42.2489 178.8814 54 V 3.5519 7.6416 118.2058 65.7112 31.4926 177.5916 55 L 3.7225 7.6907 119.9905 58.1875 41.6703 178.9285 56 A 4.3202 7.8388 121.8857 54.5824 18.1313 179.1793 57 E 3.7947 7.7168 116.5114 58.3008 30.0183 178.1203 58 V 4.0349 7.2235 117.1106 64.5540 32.6997 177.2618 59 E 3.9307 8.4792 118.6429 59.2658 29.2289 179.0878 60 Q 3.5607 7.1925 118.3762 58.4327 28.8081 177.3329 61 P 4.1678 0.0000 0.0000 65.6199 31.2275 177.9696 62 L 3.8414 7.6559 119.5553 58.1211 42.0791 179.0289 63 L 3.9964 8.1531 119.1489 57.6658 41.5587 179.1230 64 D 4.2946 8.2188 117.9977 57.7825 41.2172 178.3002 65 M 4.1117 8.5055 119.5761 58.1928 31.8440 179.0203 66 V 3.6228 7.9867 118.5195 66.3936 31.6794 177.9913 67 M 4.1417 8.1213 118.3950 58.4968 31.7609 178.9252 68 Q 4.0342 8.1163 118.0829 59.1287 28.7391 177.9555 69 Y 4.0564 8.0999 119.6605 60.4446 39.0791 177.2294 70 T 4.2833 8.4354 109.4006 60.5469 69.1459 174.8890 71 R 3.4672 8.7982 118.4439 57.7842 28.1332 177.4576 72 G 3.8132 9.1238 105.4786 45.8923 0.0000 174.4254 73 N 4.5711 7.9843 119.2155 52.6290 39.3016 175.2205 74 Q 4.0368 8.6413 128.3416 59.3794 28.8923 179.0522 75 T 3.8632 7.9289 116.1872 66.6344 68.6532 176.5999 76 R 3.8888 8.2885 120.4440 59.3349 30.0821 178.4143 77 A 4.0213 8.1374 120.3796 55.0963 18.4037 179.4276 78 A 3.9723 8.2975 119.5612 55.3099 17.9405 179.8789 79 L 3.9386 8.1117 117.5286 58.2020 41.4937 179.4581 80 M 4.0997 7.9158 116.9845 58.8656 32.2664 177.7956 81 M 4.2897 8.0458 117.6520 56.0589 32.2287 177.4686 82 G 3.8781 7.7010 105.6984 45.3531 0.0000 172.4680 83 I 4.5774 7.4581 112.2072 58.1785 40.7323 174.8411 84 N 4.8080 8.1775 117.9216 51.5614 40.1695 175.6141 85 R 3.9934 8.5879 120.8889 59.7920 29.9132 178.7940 86 G 3.6268 8.1037 104.8121 48.1274 0.0000 175.6701 87 T 3.8786 8.0268 117.8026 66.1461 68.3956 176.5103 88 L 3.9856 7.8681 122.0844 58.2881 42.0373 179.2897 89 R 3.9090 8.0715 117.9587 59.0361 29.9261 178.8663 90 K 3.8686 8.2482 119.5511 59.6298 32.2746 179.0446 91 K 3.9107 8.1857 118.6402 59.2038 31.8665 179.4416 92 L 4.0731 8.1795 119.5361 57.5954 41.5924 179.3462 93 K 4.0614 8.2349 121.1298 58.9254 31.9377 178.3183 94 K 3.6520 7.6788 118.5430 59.4494 32.0109 177.1307 95 Y 4.7770 7.6078 114.2141 56.6297 38.2046 175.9384 96 G 4.2995 8.3172 107.4236 47.0942 0.0000 175.0359 97 M 4.3546 8.7648 119.5255 55.3289 33.2979 176.3905 98 N 4.5691 7.8768 122.1606 53.5781 39.5253 173.5263 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 10 V 8.05 4.14 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 0.92 0.00 0.00 0.93 0.00 0.00 11 L 8.21 4.39 0.00 1.64 1.59 0.89 0.26 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 12 T 8.55 4.91 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 1.20 0.00 0.00 13 V 9.07 3.54 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 0.69 0.00 0.00 0.96 0.00 0.00 *25 K 7.77 4.10 0.00 1.75 1.73 0.00 1.86 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 26 P 0.00 4.82 0.00 2.20 2.21 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.96 0.00 27 L 9.29 3.90 0.00 1.70 1.69 0.89 0.03 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 28 R 8.04 3.96 0.00 2.07 2.18 0.00 3.02 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 29 D 8.27 4.40 0.00 2.84 2.75 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 30 S 8.10 4.16 0.00 4.00 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 31 V 7.65 3.51 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 1.02 0.00 0.00 0.89 0.00 0.00 32 K 7.96 3.86 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 33 Q 8.05 3.93 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 34 A 7.91 3.99 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 35 L 7.75 3.63 0.00 1.70 1.18 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.08 3.98 0.00 2.00 1.90 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.57 7.81 37 N 7.99 4.49 0.00 2.71 2.90 0.00 0.00 7.10 6.80 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 38 Y 7.90 4.14 0.00 3.04 2.82 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 39 F 8.50 4.53 0.00 3.27 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 40 A 8.36 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 41 Q 7.32 4.37 0.00 1.81 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 42 L 8.06 3.84 0.00 1.86 1.66 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.03 4.33 0.00 2.76 2.79 0.00 0.00 6.87 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 44 G 7.84 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 0.00 0.00 0.00 45 Q 7.77 4.28 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 46 D 8.37 4.86 0.00 2.71 2.60 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 47 V 8.33 4.57 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 0.94 0.00 0.00 1.13 0.00 0.00 48 N 8.90 5.17 0.00 2.80 2.90 0.00 0.00 6.02 8.06 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 49 D 7.93 4.78 0.00 2.91 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 L 8.58 3.86 0.00 1.87 1.82 0.58 1.01 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 51 Y 8.06 3.98 0.00 3.15 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 52 E 8.35 3.85 0.00 2.20 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 0.00 2.41 2.46 0.00 53 L 7.67 3.87 0.00 1.66 1.73 0.86 0.55 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 54 V 7.64 3.55 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 0.79 0.00 0.00 0.78 0.00 0.00 55 L 7.69 3.72 0.00 1.38 1.49 0.69 0.89 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 56 A 7.84 4.32 1.46 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 0.00 0.00 0.00 57 E 7.72 3.79 0.00 1.97 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 0.00 2.22 2.26 0.00 58 V 7.22 4.03 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 0.98 0.00 0.00 0.87 0.00 0.00 59 E 8.48 3.93 0.00 1.98 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 2.35 2.49 0.00 60 Q 7.19 3.56 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 61 P 0.00 4.17 0.00 2.19 2.24 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 62 L 7.66 3.84 0.00 1.82 1.90 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.15 4.00 0.00 1.72 1.74 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.22 4.29 0.00 2.84 2.79 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 65 M 8.51 4.11 0.00 2.01 2.13 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 2.60 2.79 0.00 66 V 7.99 3.62 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 1.12 0.00 0.00 0.94 0.00 0.00 67 M 8.12 4.14 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.95 0.00 68 Q 8.12 4.03 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 69 Y 8.10 4.06 0.00 3.06 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 70 T 8.44 4.28 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 1.41 0.00 0.00 71 R 8.80 3.47 0.00 1.92 2.00 0.00 3.10 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 72 G 9.12 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 73 N 7.98 4.57 0.00 2.79 2.86 0.00 0.00 7.16 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 74 Q 8.64 4.04 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 T 7.93 3.86 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 1.22 0.00 0.00 76 R 8.29 3.89 0.00 1.91 1.95 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 77 A 8.14 4.02 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 78 A 8.30 3.97 1.46 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 0.00 0.00 0.00 79 L 8.11 3.94 0.00 1.89 1.75 0.93 0.68 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 80 M 7.92 4.10 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 81 M 8.05 4.29 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 82 G 7.70 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 83 I 7.46 4.58 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.93 0.00 0.00 84 N 8.18 4.81 0.00 3.01 2.98 0.00 0.00 5.54 7.66 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 85 R 8.59 3.99 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 86 G 8.10 3.63 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 0.00 0.00 0.00 87 T 8.03 3.88 4.39 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 1.23 0.00 0.00 88 L 7.87 3.99 0.00 1.81 1.84 0.95 0.99 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 89 R 8.07 3.91 0.00 2.07 1.96 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 90 K 8.25 3.87 0.00 1.80 1.96 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 91 K 8.19 3.91 0.00 1.92 1.97 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.75 7.81 92 L 8.18 4.07 0.00 1.87 1.75 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.23 4.06 0.00 1.92 1.92 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.32 7.81 94 K 7.68 3.65 0.00 1.55 1.61 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.82 7.81 95 Y 7.61 4.78 0.00 3.13 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 96 G 8.32 4.30 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 0.00 97 M 8.76 4.35 0.00 2.02 2.18 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 2.80 2.69 0.00 98 N 7.88 4.57 0.00 2.76 2.59 0.00 0.00 7.30 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.