NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 K 4.1732 8.3144 121.7571 56.3182 34.0183 176.1124 39 S 4.0826 7.8069 112.1006 58.5893 62.8388 171.6890 40 C 5.2151 9.6643 123.7843 59.7710 31.0100 172.4188 41 T 5.1980 8.4141 116.3976 61.7503 71.3715 173.0898 42 L 5.1858 8.9145 125.2167 53.0467 45.2932 175.5765 43 Y 4.3834 8.9067 121.0228 57.6984 39.5869 174.6985 44 V 4.7210 8.9373 122.9139 61.0956 34.7924 174.6784 45 G 3.1603 9.0913 114.8264 44.3377 0.0000 172.4974 46 N 4.3769 7.9027 114.8442 53.8939 37.2116 174.0802 47 L 4.1225 7.7431 117.1861 53.7216 42.4877 177.1733 48 S 4.2941 8.1737 116.4319 57.8141 63.8023 174.9236 49 F 4.2300 9.0479 124.3534 61.5560 39.1742 175.4511 50 Y 4.4383 7.7284 115.8481 56.9826 37.9414 175.2007 51 T 4.1478 7.4521 118.6982 63.8607 69.1648 174.9602 52 T 4.5330 9.0799 117.5314 59.9504 72.2656 175.3065 53 E 3.9732 8.6374 121.9140 59.6425 29.5036 178.9488 54 E 4.0558 8.1609 117.9966 59.6925 29.6659 179.2449 55 Q 4.0670 8.0565 117.6003 58.9143 28.6658 178.8852 56 I 3.9057 7.9974 121.0371 64.3983 37.1240 177.8576 57 Y 3.8553 8.4423 118.0917 61.1300 37.5520 178.4669 58 E 4.0157 8.2668 118.6077 59.1956 30.1238 178.4372 59 L 4.0664 8.0551 120.1899 58.3985 42.4365 178.9742 60 F 4.1934 8.8187 117.5896 59.9876 38.9627 177.5284 61 S 5.0428 8.2518 115.9987 60.1568 62.3659 176.2857 62 K 4.1660 8.0064 120.9871 58.3900 31.8530 178.1965 63 S 4.7075 9.0791 112.2199 57.8255 64.1677 174.2042 64 G 4.3334 7.0341 109.3409 44.4871 0.0000 171.2236 65 D 4.9297 8.5075 120.1458 54.2211 41.2365 175.6125 66 I 3.9091 8.3759 125.5068 60.4997 37.5610 175.8397 67 K 3.4871 8.4604 129.5554 58.1286 32.6469 176.9971 68 K 4.5721 7.2850 118.7680 55.2224 35.6469 174.0829 69 I 4.8729 8.2782 126.4899 59.4440 40.3925 174.8027 70 I 4.5142 8.5461 127.0393 59.6155 39.8909 174.9091 71 M 4.3709 8.7342 127.4628 56.4291 32.8329 177.1554 72 G 3.9388 8.9350 109.3058 45.1462 0.0000 172.8369 73 L 4.5785 8.2003 116.1112 54.5992 42.6639 176.4356 74 D 4.6446 7.9528 119.7505 52.6860 40.5635 176.5029 75 K 3.5851 8.3934 128.4958 58.6655 32.3780 177.0869 76 M 4.1472 8.0097 116.9471 55.1664 31.6907 172.6765 77 K 3.6326 7.6342 125.5600 56.2355 29.3531 175.9065 *81 C 4.4454 8.4302 117.1087 56.9162 31.4118 175.1063 82 G 3.9872 8.3733 108.3759 46.7606 0.0000 172.7593 83 F 5.7689 7.9935 117.4534 55.2435 42.9306 173.7138 84 C 5.1454 8.2074 113.8073 57.6957 33.2344 172.1314 85 F 5.0875 9.3199 118.4132 55.5896 41.4619 175.0544 86 V 4.3299 8.6509 123.3522 60.8805 34.1341 173.5417 87 E 5.0065 8.9333 129.4673 54.6745 31.7435 174.5109 88 Y 4.8386 8.7331 124.6544 56.6400 40.0540 175.6693 89 Y 4.4697 8.6458 119.2540 60.1153 39.1756 176.2612 90 S 4.9693 8.1547 112.5879 55.5511 66.4257 174.7669 91 R 3.9623 8.8437 122.2007 59.7533 29.8880 178.4502 92 A 4.3220 8.0895 121.3536 54.9216 17.9082 179.2582 93 D 4.2872 7.9897 116.8302 57.1636 40.7484 178.9099 94 A 3.3778 7.6414 121.3435 54.8573 18.1284 179.3751 95 E 4.1481 8.7874 117.5991 59.9755 29.6275 179.5072 96 N 4.3414 8.1975 115.9173 55.7635 38.5292 177.5072 97 A 3.9276 7.5554 122.2889 55.3619 18.2937 179.4563 98 M 3.8159 7.7768 116.3245 58.5787 31.9928 178.9574 99 R 3.7527 7.4880 117.3516 58.3168 30.2142 177.0800 100 Y 4.8883 7.5680 112.9791 57.6605 40.6705 176.5675 101 I 3.9540 7.8083 120.2578 62.5890 38.1993 175.8443 102 N 4.2659 7.9137 117.5964 55.3519 38.8784 174.4061 103 G 3.8467 8.9151 113.1128 46.0836 0.0000 172.5979 104 T 4.6445 7.5532 110.2727 59.4645 71.5046 172.7329 105 R 5.0162 8.1478 119.4396 54.8117 31.9115 176.1397 106 L 4.4209 8.3378 122.7441 54.4607 44.5866 175.6608 107 D 4.0051 9.4198 125.9684 55.4526 39.4101 173.2210 108 D 4.4293 8.3470 112.7397 54.3349 40.2045 172.5630 109 R 4.6501 7.4397 116.6472 54.6724 32.7481 175.6037 110 I 4.4973 8.2606 124.1393 61.0312 37.6776 175.8230 111 I 4.3971 8.5161 121.5449 60.0480 40.0164 174.8965 112 R 5.2609 8.6529 121.3400 54.6440 33.6500 174.8555 113 T 5.1555 8.8636 112.2199 60.4548 72.0870 172.3614 114 D 4.5449 8.5429 120.6786 52.7491 45.4108 174.3906 115 W 4.6449 8.7288 122.7096 57.2355 29.7446 176.5564 116 D 5.0379 9.3072 125.7781 53.0387 39.0224 175.5476 117 A 4.5989 8.3526 125.4347 49.7728 20.8849 177.9647 118 G 3.9112 8.6390 107.3095 46.1660 0.0000 173.6808 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 38 K 8.31 4.17 0.00 1.65 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.35 7.81 39 S 7.81 4.08 0.00 3.99 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 40 C 9.66 5.22 0.00 2.97 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 41 T 8.41 5.20 4.29 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 1.27 0.00 0.00 42 L 8.91 5.19 0.00 1.40 1.39 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.91 4.38 0.00 3.06 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 44 V 8.94 4.72 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 1.02 0.00 0.00 0.50 0.00 0.00 45 G 9.09 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 0.00 0.00 0.00 46 N 7.90 4.38 0.00 2.69 2.92 0.00 0.00 7.02 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 47 L 7.74 4.12 0.00 1.62 1.48 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.17 4.29 0.00 3.65 3.70 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 49 F 9.05 4.23 0.00 3.04 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 50 Y 7.73 4.44 0.00 3.00 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 51 T 7.45 4.15 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 1.16 0.00 0.00 52 T 9.08 4.53 4.44 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 0.00 0.00 0.00 1.21 0.00 0.00 53 E 8.64 3.97 0.00 2.09 2.06 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 2.69 2.56 0.00 54 E 8.16 4.06 0.00 2.12 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 0.00 2.39 2.44 0.00 55 Q 8.06 4.07 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 56 I 8.00 3.91 1.98 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 1.53 0.75 0.67 0.00 0.00 57 Y 8.44 3.86 0.00 3.28 3.04 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 58 E 8.27 4.02 0.00 2.01 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 2.36 2.40 0.00 59 L 8.06 4.07 0.00 1.81 1.71 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.82 4.19 0.00 3.17 3.10 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 0.00 0.00 0.00 61 S 8.25 5.04 0.00 4.06 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 62 K 8.01 4.17 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 63 S 9.08 4.71 0.00 4.00 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 64 G 7.03 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 0.00 0.00 0.00 0.00 65 D 8.51 4.93 0.00 3.11 2.89 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 66 I 8.38 3.91 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.51 0.34 0.00 0.00 67 K 8.46 3.49 0.00 0.79 1.42 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 0.88 7.81 68 K 7.28 4.57 0.00 1.72 1.56 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.42 7.81 69 I 8.28 4.87 1.67 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 0.86 0.11 0.80 0.00 0.00 70 I 8.55 4.51 1.98 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.96 0.00 0.00 71 M 8.73 4.37 0.00 1.91 2.01 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 2.60 2.50 0.00 72 G 8.93 3.94 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 0.00 73 L 8.20 4.58 0.00 1.67 1.76 0.51 0.67 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 74 D 7.95 4.64 0.00 2.79 2.61 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 75 K 8.39 3.59 0.00 1.15 1.50 0.00 1.06 0.00 0.00 1.35 0.00 0.00 2.66 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.92 0.21 7.81 76 M 8.01 4.15 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 77 K 7.63 3.63 0.00 1.92 1.94 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.30 7.81 *81 C 8.43 4.45 0.00 3.23 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 82 G 8.37 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 0.00 0.00 0.00 83 F 7.99 5.77 0.00 2.86 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 84 C 8.21 5.15 0.00 3.10 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 85 F 9.32 5.09 0.00 2.83 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 86 V 8.65 4.33 1.61 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 0.19 0.00 0.00 -0.06 0.00 0.00 87 E 8.93 5.01 0.00 1.88 1.67 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 2.02 2.18 0.00 88 Y 8.73 4.84 0.00 2.93 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 89 Y 8.65 4.47 0.00 2.98 3.04 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 90 S 8.15 4.97 0.00 4.02 4.03 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 91 R 8.84 3.96 0.00 1.97 2.00 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 92 A 8.09 4.32 1.36 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 0.00 0.00 93 D 7.99 4.29 0.00 2.67 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.64 3.38 1.54 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 0.00 0.00 95 E 8.79 4.15 0.00 2.25 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 2.71 2.77 0.00 96 N 8.20 4.34 0.00 2.73 3.00 0.00 0.00 6.94 7.55 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 97 A 7.56 3.93 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 98 M 7.78 3.82 0.00 1.81 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.04 0.00 99 R 7.49 3.75 0.00 0.67 0.66 0.00 3.09 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 100 Y 7.57 4.89 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.81 3.95 1.65 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.90 -0.08 0.00 0.00 102 N 7.91 4.27 0.00 2.57 2.82 0.00 0.00 7.00 7.98 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 0.00 103 G 8.92 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 0.00 104 T 7.55 4.64 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 1.26 0.00 0.00 105 R 8.15 5.02 0.00 1.78 1.85 0.00 3.15 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 106 L 8.34 4.42 0.00 1.63 1.42 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 107 D 9.42 4.01 0.00 2.63 2.47 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 0.00 108 D 8.35 4.43 0.00 2.83 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 0.00 109 R 7.44 4.65 0.00 1.86 1.74 0.00 3.13 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 110 I 8.26 4.50 1.84 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 1.37 0.44 0.88 0.00 0.00 111 I 8.52 4.40 1.94 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 1.39 0.86 0.92 0.00 0.00 112 R 8.65 5.26 0.00 1.66 1.76 0.00 2.98 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 113 T 8.86 5.16 4.21 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 0.00 0.00 1.37 0.00 0.00 114 D 8.54 4.54 0.00 2.83 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 0.00 115 W 8.73 4.64 0.00 3.32 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 0.00 116 D 9.31 5.04 0.00 2.27 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 0.00 117 A 8.35 4.60 1.30 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 0.00 118 G 8.64 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 * Residues marked with a * may have inaccurate shift predictions.