NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2694 8.3344 116.7770 57.8653 64.5167 172.8302 5 L 3.5547 7.9604 122.4096 53.5595 41.5579 175.2506 6 K 4.1647 8.7880 126.3256 58.2142 34.7392 176.5173 7 K 4.5166 8.6286 119.1019 53.1764 31.9674 174.4227 8 G 3.7998 6.7970 106.0276 44.2594 0.0000 171.0347 9 V 4.3306 8.0281 120.9307 61.2522 33.0596 176.1315 10 F 4.2991 9.5244 122.2438 57.8311 37.6674 174.7410 11 V 3.3380 8.3320 122.7505 61.7452 30.3473 175.4617 12 D 4.4220 8.2482 124.8017 55.0907 41.5171 177.3669 13 D 4.4496 8.7142 122.5311 57.5921 41.1534 178.3159 14 H 4.4079 8.2449 109.7574 56.8153 28.2472 175.1798 15 L 4.4507 8.0905 119.9258 56.8775 43.0932 178.9216 16 L 4.2821 7.6673 117.8871 57.5371 41.7426 178.6672 17 E 4.1771 8.0551 116.7833 57.4540 29.3716 177.1635 18 K 4.6365 8.2230 114.7844 57.9170 35.8868 175.7137 19 V 4.0778 7.8893 116.8357 65.2097 32.5495 177.7115 20 L 4.0796 7.5430 118.3349 57.6316 41.1849 179.1734 21 E 3.9547 8.0746 117.2360 59.3041 29.5082 178.4378 22 L 4.0724 7.5178 118.9104 56.5653 42.2258 177.5340 23 N 4.7473 8.4369 116.3943 54.3659 39.3368 173.7772 24 A 4.2824 7.2056 122.7273 53.3925 17.3242 176.8164 25 K 4.0354 9.2655 118.1638 56.4985 30.4420 176.9741 26 G 4.0153 7.7190 107.6425 45.8671 0.0000 173.7779 27 E 4.4588 7.5526 117.1891 55.8850 30.5751 178.2703 28 K 4.2837 8.0593 116.5542 57.1468 31.2968 178.6075 29 R 4.3130 8.4371 124.9257 57.0077 32.5470 173.8228 30 L 3.8343 8.0692 120.9712 56.0862 42.0690 176.6955 31 I 4.5089 7.7420 126.5750 59.9122 39.2910 173.3169 32 K 4.4094 8.1778 125.8748 56.3796 33.0932 175.4329 33 T 4.5957 7.4392 115.9751 61.7520 70.5269 172.8954 34 W 4.6677 8.9490 121.1755 56.4034 31.8899 177.3199 35 S 4.6085 7.9192 115.8961 57.1935 61.3654 175.9060 36 R 4.0729 8.1555 117.8540 59.0910 29.6128 176.1694 37 R 4.5098 7.5670 116.0113 53.3789 28.6530 173.8206 38 S 3.1991 7.5553 116.9401 57.7874 64.4818 175.2645 39 T 4.0830 7.6002 122.2862 63.6586 69.1661 174.1384 40 I 3.6665 7.9219 125.2677 61.9463 37.9721 175.9168 41 V 4.0829 8.3292 127.3057 60.6472 32.4116 173.2582 42 P 4.3801 0.0000 0.0000 64.4800 31.9743 175.3901 43 E 4.2306 9.0373 121.8333 56.8130 29.3272 175.8948 44 M 4.4267 7.8938 115.9449 56.4247 31.9166 176.5991 45 V 3.5807 7.3386 113.0702 62.3462 32.4372 176.2924 46 G 4.1350 8.2340 114.8753 46.9015 0.0000 174.0538 47 H 4.0091 7.1631 119.7197 55.9233 27.6373 175.6528 48 T 3.5812 7.7915 121.6419 63.0473 67.0862 174.6667 49 I 3.8184 7.9802 127.0667 60.8311 38.3799 175.0675 50 A 5.5815 8.1109 124.8796 48.6086 18.4186 175.1276 51 V 3.5304 7.6982 123.2874 62.4291 33.0151 174.2686 52 Y 5.3407 9.7630 122.4784 56.4437 38.9147 176.1886 53 N 5.1390 9.4455 128.2263 52.5331 36.1566 174.5628 54 G 4.1506 6.6883 109.4558 46.0247 0.0000 174.1817 55 K 4.0044 6.7018 120.3164 56.6651 32.9238 178.4482 56 Q 4.4103 7.0238 116.9815 55.2134 33.0015 172.8456 57 H 5.0681 8.5926 116.8270 54.9628 29.6771 175.8579 58 V 3.8006 8.7225 119.2176 59.9480 32.3471 175.5260 59 P 4.8599 0.0000 0.0000 61.9574 28.9661 176.7040 60 V 3.7948 7.4650 120.5695 62.6447 32.3445 177.9273 61 Y 4.2548 8.3209 129.2670 58.1487 40.7135 173.8524 62 I 3.9000 8.1875 112.6199 60.9115 41.3391 174.0140 63 T 4.9671 8.3453 123.7133 61.0393 69.8327 171.8399 64 E 4.4576 8.7693 115.1485 58.0305 31.1053 177.7207 65 N 4.2618 8.2201 115.7756 55.0560 38.8338 174.4122 66 M 4.6543 7.3160 116.2163 53.9072 32.0790 174.6848 67 V 4.5129 8.2200 122.7846 64.0481 37.4569 176.3097 68 G 3.8494 8.0947 107.7974 47.6969 0.0000 172.9443 69 H 5.0369 7.9901 117.0259 54.3523 30.1049 174.2689 70 K 4.7831 8.5000 120.3862 54.6740 34.4869 177.8660 71 L 4.0669 8.6749 122.9412 58.1683 42.1130 179.7727 72 G 3.8010 8.3077 104.9550 48.0622 0.0000 175.1123 73 E 3.7469 8.4841 121.1367 59.1576 29.1689 178.6997 74 F 4.8930 7.6859 114.2070 56.3365 39.5545 175.8981 75 A 4.5542 8.4390 123.6497 48.9387 19.2706 174.8415 76 P 4.4588 0.0000 0.0000 64.0246 31.8189 176.7000 77 T 4.4372 8.3326 106.9061 61.6310 70.7669 174.2677 78 R 4.6899 7.7121 118.6640 54.2608 32.8525 175.2999 79 T 4.2166 8.2325 116.5651 64.2112 69.4937 172.9817 80 Y 3.4250 8.3975 127.7920 58.2039 35.9284 168.8211 81 R 4.0908 7.6632 123.1822 54.2653 32.3251 177.0196 *82 G 3.7274 8.3830 106.6684 46.1717 0.0000 172.8014 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 4 S 8.33 4.27 0.00 3.84 3.92 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 5 L 7.96 3.55 0.00 1.50 1.57 0.97 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.79 4.16 0.00 1.89 1.91 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.35 7.81 7 K 8.63 4.52 0.00 1.66 1.73 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.45 7.81 8 G 6.80 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 0.00 0.00 0.00 9 V 8.03 4.33 2.15 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 1.15 0.00 0.00 0.98 0.00 0.00 10 F 9.52 4.30 0.00 3.21 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 11 V 8.33 3.34 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 0.77 0.00 0.00 0.89 0.00 0.00 12 D 8.25 4.42 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.71 4.45 0.00 2.71 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 14 H 8.24 4.41 0.00 3.25 3.41 0.00 5.50 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.09 4.45 0.00 1.71 1.63 0.86 0.60 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 16 L 7.67 4.28 0.00 1.72 1.70 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.06 4.18 0.00 2.14 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 0.00 2.29 2.30 0.00 18 K 8.22 4.64 0.00 1.64 1.80 0.00 1.54 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.34 7.81 19 V 7.89 4.08 2.11 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 0.92 0.00 0.00 0.87 0.00 0.00 20 L 7.54 4.08 0.00 1.85 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.07 3.95 0.00 2.18 2.20 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 0.00 2.34 2.35 0.00 22 L 7.52 4.07 0.00 1.88 1.80 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.44 4.75 0.00 2.99 2.88 0.00 0.00 6.90 8.23 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 24 A 7.21 4.28 1.25 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 0.00 0.00 25 K 9.27 4.04 0.00 2.00 2.36 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.31 7.81 26 G 7.72 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 27 E 7.55 4.46 0.00 1.91 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 2.35 2.35 0.00 28 K 8.06 4.28 0.00 1.73 1.11 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.41 7.81 29 R 8.44 4.31 0.00 1.75 1.91 0.00 3.09 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 30 L 8.07 3.83 0.00 1.61 1.65 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.74 4.51 1.81 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 1.28 1.04 0.94 0.00 0.00 32 K 8.18 4.41 0.00 1.38 1.01 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.65 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.33 7.81 33 T 7.44 4.60 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 1.17 0.00 0.00 34 W 8.95 4.67 0.00 3.37 3.02 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 35 S 7.92 4.61 0.00 4.05 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 36 R 8.16 4.07 0.00 2.09 2.35 0.00 3.03 0.00 0.00 3.49 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 37 R 7.57 4.51 0.00 2.24 2.19 0.00 3.23 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 38 S 7.56 3.20 0.00 3.69 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.08 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 40 I 7.92 3.67 2.14 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.96 0.00 0.00 41 V 8.33 4.08 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 0.97 0.00 0.00 0.88 0.00 0.00 42 P 0.00 4.38 0.00 2.07 2.00 0.00 3.75 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 2.04 2.11 0.00 43 E 9.04 4.23 0.00 2.14 2.20 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 0.00 2.26 2.29 0.00 44 M 7.89 4.43 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 45 V 7.34 3.58 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 0.62 0.00 0.00 0.90 0.00 0.00 46 G 8.23 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.16 4.01 0.00 3.24 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.79 3.58 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 0.99 0.00 0.00 49 I 7.98 3.82 1.76 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 1.19 0.93 0.85 0.00 0.00 50 A 8.11 5.58 1.16 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 51 V 7.70 3.53 2.11 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 1.06 0.00 0.00 0.96 0.00 0.00 52 Y 9.76 5.34 0.00 2.66 2.54 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 53 N 9.45 5.14 0.00 2.91 2.95 0.00 0.00 6.03 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 6.69 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 0.00 0.00 0.00 55 K 6.70 4.00 0.00 1.57 1.45 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.38 7.81 56 Q 7.02 4.41 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.62 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 57 H 8.59 5.07 0.00 3.03 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.72 3.80 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 0.73 0.00 0.00 0.97 0.00 0.00 59 P 0.00 4.86 0.00 2.11 2.11 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 60 V 7.46 3.79 2.14 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 0.72 0.00 0.00 0.95 0.00 0.00 61 Y 8.32 4.25 0.00 3.00 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 62 I 8.19 3.90 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.72 0.00 0.00 63 T 8.35 4.97 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 1.27 0.00 0.00 64 E 8.77 4.46 0.00 2.18 2.17 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 2.28 2.31 0.00 65 N 8.22 4.26 0.00 2.76 2.98 0.00 0.00 6.83 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 66 M 7.32 4.65 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 67 V 8.22 4.51 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 0.95 0.00 0.00 0.99 0.00 0.00 68 G 8.09 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 69 H 7.99 5.04 0.00 3.73 3.54 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.50 4.78 0.00 1.93 1.85 0.00 2.39 0.00 0.00 2.08 0.00 0.00 3.08 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.62 1.67 7.81 71 L 8.67 4.07 0.00 1.92 1.79 0.89 0.86 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 72 G 8.31 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 0.00 0.00 0.00 73 E 8.48 3.75 0.00 1.16 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 2.25 2.61 0.00 74 F 7.69 4.89 0.00 3.18 3.13 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 0.00 0.00 0.00 75 A 8.44 4.55 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 76 P 0.00 4.46 0.00 2.17 2.07 0.00 3.72 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 1.97 1.97 0.00 77 T 8.33 4.44 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 1.24 0.00 0.00 78 R 7.71 4.69 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 79 T 8.23 4.22 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 1.25 0.00 0.00 80 Y 8.40 3.43 0.00 3.00 3.01 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 81 R 7.66 4.09 0.00 1.75 1.79 0.00 3.42 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 *82 G 8.38 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.