NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.3868 0.0000 0.0000 62.2232 33.0202 177.0620 7 L 3.9923 8.2635 122.7794 57.1438 41.7795 175.7888 8 E 4.3210 8.4345 119.4598 59.4970 29.7376 178.6150 9 K 4.0458 7.6237 121.1333 58.2580 31.8395 182.9474 10 I 4.4468 6.7875 117.4041 62.1982 38.1377 175.3173 11 A 3.3823 6.7666 118.0275 50.5881 22.5709 174.5685 12 P 4.6330 0.0000 0.0000 62.0495 30.4539 176.7903 13 Y 3.8791 7.2475 115.8307 57.7750 38.8860 175.4232 14 P 4.3734 0.0000 0.0000 62.7169 32.0583 176.1492 15 Q 4.1763 8.2714 118.3620 55.0869 29.5551 176.0965 16 A 4.0600 8.2572 123.5960 52.3219 19.0837 177.7160 17 E 4.2443 8.6412 123.7614 55.6150 30.6735 176.9599 18 K 3.9944 8.3844 121.5116 56.7897 31.5903 175.4836 19 G 4.0066 9.1586 112.6297 44.5498 0.0000 172.2679 20 M 4.7386 7.8604 118.4063 53.2017 34.8010 174.8208 21 K 4.5919 8.2260 119.5180 54.5855 35.5022 175.2213 22 R 4.5094 8.5200 123.3942 54.6492 31.6751 174.7987 23 Q 4.7090 8.5252 123.9495 54.0024 31.3450 175.2348 24 V 4.3332 8.0296 119.4129 60.9702 34.4681 174.7490 25 I 4.2554 8.2874 126.7115 59.5350 38.8314 174.9616 26 Q 4.4051 8.3827 127.1714 53.8113 29.1840 174.9060 27 L 4.1889 8.1598 125.4111 54.5340 42.4393 177.1677 28 T 4.2496 8.1649 112.0624 60.0900 69.8325 173.0541 29 P 4.5484 0.0000 0.0000 63.1458 31.9845 175.5673 30 Q 4.5974 8.6339 121.6242 54.5620 32.8894 176.0311 31 E 3.9930 9.0391 116.6913 58.6751 29.7250 178.2543 32 D 4.8245 7.8384 124.9157 52.2587 41.6399 175.7954 33 E 4.1529 8.4813 126.0108 57.1978 30.1437 179.0894 34 S 4.2396 8.1400 113.2958 60.6467 63.4401 174.7718 35 T 4.4749 7.3081 110.1728 61.2107 68.6168 174.1564 36 L 4.9028 7.5315 120.1747 53.6262 45.4203 175.6031 37 K 4.6556 8.2013 118.3398 55.1319 36.2865 175.7807 38 V 4.2913 8.1181 119.2419 61.0109 33.7071 174.1096 39 E 4.4497 8.6365 127.7659 54.4704 30.7646 174.8494 40 L 4.2310 8.2451 126.2895 53.7949 42.6745 176.4863 41 L 4.4107 8.2280 123.3744 53.0085 42.0042 175.0728 42 I 4.1543 7.5794 124.1658 59.5488 38.7312 175.8024 43 G 3.9946 7.9106 114.4177 45.7525 0.0000 171.6096 44 Q 4.4453 8.3642 117.1552 54.8096 31.3815 174.3121 45 T 4.0042 8.5224 118.6273 63.6257 68.4196 173.7375 46 L 4.6796 8.3786 128.1495 53.3841 45.0389 177.1629 47 E 4.4111 8.5188 116.8154 54.6905 29.4688 176.5819 48 V 4.4252 7.9473 117.4886 58.7245 35.4085 176.3935 49 D 4.5805 8.3670 120.8600 53.8165 38.1549 176.3493 50 C 3.7940 7.7536 113.3502 61.4889 26.9543 173.8432 *52 L 4.2026 8.3542 122.2964 54.1900 42.8140 176.0066 53 H 4.8928 8.1432 115.4600 54.0979 31.8207 172.9709 54 R 4.6847 8.5317 122.1990 53.9472 33.0236 175.3835 55 L 4.4481 8.7673 125.9964 55.1870 43.1579 176.4411 56 G 3.9990 8.3933 112.0990 44.5599 0.0000 172.4803 57 G 3.8916 8.9015 108.6155 44.4839 0.0000 173.8951 58 K 4.7394 7.8976 121.9456 52.9709 35.9292 175.7860 59 L 5.1064 8.9072 128.6147 54.2614 43.0612 175.9397 60 E 4.8051 9.3727 125.1307 54.9202 32.4712 170.6239 61 N 4.8306 8.6762 122.1673 51.4107 40.5888 174.0068 62 K 4.5441 8.4029 124.4155 54.7263 36.8598 174.9594 63 T 4.8250 7.9297 117.3670 61.4532 71.5188 174.0435 64 L 4.3812 9.8502 131.4047 55.3403 42.6362 176.4634 65 E 4.0355 8.9255 122.0792 57.7450 29.9205 175.3080 66 G 4.0182 8.9708 110.8583 44.5361 0.0000 174.0562 67 W 4.0333 8.3255 118.3458 55.9735 30.7207 176.8654 68 G 3.9661 8.4086 104.4683 46.3677 0.0000 171.9285 69 Y 5.0735 8.0126 116.9180 56.1385 40.2080 175.3166 70 D 5.2609 8.8880 123.9925 54.2745 42.6281 175.0605 71 Y 4.9119 7.9489 116.6512 56.5724 41.5167 172.9036 72 Y 5.2538 9.0007 117.7322 56.2971 41.6592 175.1793 73 V 4.5524 9.0129 121.7338 61.1998 34.7062 173.8236 74 F 5.3162 9.0863 130.5324 56.8058 40.6456 173.7252 75 D 4.1625 7.8602 129.7898 53.0990 42.7259 176.3190 76 K 3.9642 8.6063 114.1792 55.6982 29.3301 171.1143 77 V 4.0248 7.5313 118.2255 63.0623 32.6179 175.0197 78 S 4.5040 8.0200 118.9499 57.1054 64.9894 172.9591 79 S 4.2239 8.7511 115.0163 58.5358 63.0156 172.5265 80 P 4.5662 0.0000 0.0000 62.9552 32.1597 176.0364 81 I 4.0769 8.4980 123.7556 61.4029 38.4001 174.7207 82 E 5.0939 8.5008 126.6304 53.6365 32.5378 173.0886 83 P 4.3524 0.0000 0.0000 62.8637 32.1173 175.9639 84 D 4.4903 8.5897 120.2825 54.7093 40.8208 176.1874 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 6 P 0.00 4.39 0.00 2.20 2.03 0.00 3.56 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 2.01 2.08 0.00 7 L 8.26 3.99 0.00 1.79 1.65 0.72 0.40 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 8 E 8.43 4.32 0.00 2.02 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 2.40 2.31 0.00 9 K 7.62 4.05 0.00 1.90 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 10 I 6.79 4.45 2.19 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 1.10 0.00 0.00 11 A 6.77 3.38 -0.21 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 0.00 0.00 0.00 12 P 0.00 4.63 0.00 2.09 2.03 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.04 0.00 13 Y 7.25 3.88 0.00 2.87 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 14 P 0.00 4.37 0.00 2.10 1.99 0.00 3.42 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 15 Q 8.27 4.18 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 16 A 8.26 4.06 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 17 E 8.64 4.24 0.00 2.06 1.91 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 2.41 2.32 0.00 18 K 8.38 3.99 0.00 1.77 1.64 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.02 7.81 19 G 9.16 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 20 M 7.86 4.74 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 21 K 8.23 4.59 0.00 1.66 1.63 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.26 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.39 7.81 22 R 8.52 4.51 0.00 1.74 1.74 0.00 3.14 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 23 Q 8.53 4.71 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 V 8.03 4.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.76 0.00 0.00 25 I 8.29 4.26 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.88 0.00 0.00 26 Q 8.38 4.41 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 27 L 8.16 4.19 0.00 1.66 1.57 0.91 0.92 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 28 T 8.16 4.25 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 29 P 0.00 4.55 0.00 2.06 2.04 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 30 Q 8.63 4.60 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 31 E 9.04 3.99 0.00 1.98 1.87 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 2.23 1.88 0.00 32 D 7.84 4.82 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 33 E 8.48 4.15 0.00 2.07 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 2.37 2.43 0.00 34 S 8.14 4.24 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.31 4.47 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 1.29 0.00 0.00 36 L 7.53 4.90 0.00 1.57 1.55 0.92 1.23 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 37 K 8.20 4.66 0.00 1.67 1.65 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.41 7.81 38 V 8.12 4.29 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 0.75 0.00 0.00 0.91 0.00 0.00 39 E 8.64 4.45 0.00 1.92 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 0.00 2.17 2.27 0.00 40 L 8.25 4.23 0.00 1.52 1.42 0.48 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.23 4.41 0.00 1.52 1.54 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.58 4.15 1.35 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.33 -0.29 0.00 0.00 43 G 7.91 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 44 Q 8.36 4.45 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 45 T 8.52 4.00 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 46 L 8.38 4.68 0.00 1.54 1.49 0.95 0.90 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 47 E 8.52 4.41 0.00 1.97 1.77 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 2.15 1.87 0.00 48 V 7.95 4.43 1.73 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 0.67 0.00 0.00 0.87 0.00 0.00 49 D 8.37 4.58 0.00 2.78 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 50 C 7.75 3.79 0.00 3.09 2.96 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 *52 L 8.35 4.20 0.00 1.58 1.61 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.14 4.89 0.00 2.99 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.53 4.68 0.00 1.74 1.81 0.00 3.30 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 55 L 8.77 4.45 0.00 1.66 1.62 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 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 58 K 7.90 4.74 0.00 1.37 1.62 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 59 L 8.91 5.11 0.00 1.89 1.75 1.14 0.77 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 60 E 9.37 4.81 0.00 1.66 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 0.00 2.15 2.10 0.00 61 N 8.68 4.83 0.00 2.73 2.66 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.40 4.54 0.00 0.79 1.07 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.20 7.81 63 T 7.93 4.83 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 1.26 0.00 0.00 64 L 9.85 4.38 0.00 1.96 1.73 0.86 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.93 4.04 0.00 2.02 1.77 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 2.24 1.92 0.00 66 G 8.97 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 67 W 8.33 4.03 0.00 3.07 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 0.00 0.00 0.00 0.00 68 G 8.41 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 69 Y 8.01 5.07 0.00 2.91 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 70 D 8.89 5.26 0.00 2.56 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 71 Y 7.95 4.91 0.00 3.08 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 72 Y 9.00 5.25 0.00 2.87 3.06 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 73 V 9.01 4.55 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 1.11 0.00 0.00 1.16 0.00 0.00 74 F 9.09 5.32 0.00 3.07 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 75 D 7.86 4.16 0.00 2.63 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 76 K 8.61 3.96 0.00 1.82 1.85 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 0.97 7.81 77 V 7.53 4.02 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 1.06 0.00 0.00 0.94 0.00 0.00 78 S 8.02 4.50 0.00 3.79 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 79 S 8.75 4.22 0.00 3.91 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 80 P 0.00 4.57 0.00 2.13 2.10 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 81 I 8.50 4.08 1.89 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 1.13 0.94 0.91 0.00 0.00 82 E 8.50 5.09 0.00 1.89 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 0.00 2.10 2.38 0.00 83 P 0.00 4.35 0.00 2.20 2.03 0.00 3.94 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 1.95 1.96 0.00 84 D 8.59 4.49 0.00 2.69 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 * Residues marked with a * may have inaccurate shift predictions.