NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 2.8174 8.0093 121.3019 59.6095 38.5215 175.2026 7 P 3.8602 0.0000 0.0000 60.7431 31.2850 175.7314 8 K 4.0827 8.4244 120.8101 58.6511 33.4158 178.1003 9 N 4.8524 7.9291 115.6488 53.0935 38.5314 175.2367 10 W 4.7427 8.1086 118.9314 57.1633 30.2565 175.2909 11 T 4.9653 8.6284 115.7853 60.1171 71.1483 172.8562 12 I 3.5896 7.6405 125.9057 61.3913 36.8060 176.0605 13 Q 4.2118 8.8632 127.5053 58.0809 29.7655 176.7028 14 R 4.7086 7.7061 117.3748 54.9560 33.8772 173.9237 15 S 5.2210 8.5605 120.8975 56.9287 65.9930 174.0309 16 T 4.4496 8.5245 115.1569 60.0937 70.4642 172.6895 17 P 4.2557 0.0000 0.0000 61.4385 33.0718 175.3734 18 F 4.4532 8.0642 116.8541 57.7715 39.3124 175.2758 19 F 5.4575 8.6912 122.0113 56.0943 42.2328 174.5810 20 T 5.4379 9.2962 111.3097 58.8459 72.3078 174.6828 21 K 3.9594 9.0446 120.1119 59.5008 32.0685 178.1727 22 D 4.6495 7.7210 116.3952 55.5011 41.1225 176.6578 23 N 5.0140 8.0154 112.6355 51.4734 38.6580 174.7693 24 V 3.3468 8.0465 120.4008 61.0732 31.8865 174.3810 25 P 4.2861 0.0000 0.0000 62.1789 31.9087 177.0203 26 E 3.9251 8.9438 119.8748 59.6891 29.0588 179.2915 27 A 4.0238 7.9613 121.0789 54.8362 18.4430 178.9629 28 L 3.9134 8.0584 116.9203 56.6217 41.6741 178.5319 29 L 4.5829 7.8833 116.9297 55.1005 41.9964 175.7419 30 T 4.7230 7.0828 107.4241 59.1923 72.2492 173.3353 31 H 4.5492 8.4548 118.2642 57.3051 29.0279 174.7285 32 H 4.8088 9.1760 117.1943 55.2148 32.2684 171.9234 33 N 5.1857 7.7227 115.9149 52.0883 40.4348 173.1733 34 T 4.5898 8.1787 108.8025 59.6513 72.0035 174.0900 35 A 4.1831 8.3834 124.6500 51.8214 18.8507 178.9463 36 V 3.8509 8.2451 118.7051 64.0753 31.4416 176.0042 37 D 5.0008 7.7190 120.2088 53.8443 41.4964 174.6044 38 V 4.9828 7.8659 116.3654 61.0390 34.7284 174.3833 39 F 5.0722 9.9568 126.9903 56.1067 41.1724 174.8056 40 G 4.4641 9.3573 111.7742 44.7664 0.0000 172.0406 41 Q 5.1958 9.1897 127.0066 54.5068 31.6424 174.3657 42 I 4.8288 9.1449 129.1537 60.4552 38.6550 174.3572 43 C 5.2372 8.8953 125.9900 58.2707 30.3225 173.8892 44 V 4.7442 8.6959 123.2002 61.0904 34.7987 173.6322 *46 E 4.1030 8.4781 122.6700 57.3654 30.4115 176.2745 47 G 3.8529 9.1199 112.1002 44.5448 0.0000 171.4610 48 V 4.8092 8.2785 118.6056 61.1738 35.3431 175.7938 49 V 4.7358 8.8372 127.5134 61.4056 34.2705 174.0195 50 T 4.7549 9.1117 125.1407 62.1485 70.5716 172.7739 51 Y 4.6810 8.9630 128.6444 56.2267 40.8525 173.6484 52 Y 4.9124 8.5172 125.0583 56.2776 40.4488 175.0681 53 G 4.8138 8.8033 112.2023 43.9866 0.0000 172.1116 54 F 5.2553 8.3310 119.7866 55.0882 42.0103 175.6419 55 A 4.2784 8.9770 124.3839 55.1082 18.2227 176.8397 56 N 4.9300 7.6046 110.9351 52.0300 40.0511 175.0330 57 S 2.7900 8.1561 113.3429 61.0626 62.6378 175.3077 58 E 4.1251 7.5268 115.9206 55.6113 29.4992 175.8776 59 A 4.0351 7.0730 122.4971 52.6392 18.8307 178.0956 60 T 4.1964 8.5022 116.7859 62.9169 68.2147 174.6376 61 E 4.8885 7.8953 119.2523 53.4357 32.2930 174.0382 62 P 4.0410 0.0000 0.0000 62.6934 31.8724 175.9980 63 E 4.6710 8.5442 117.8664 56.4806 30.9690 175.7059 64 I 4.6328 7.2969 120.2761 59.7630 41.8411 173.0061 65 K 4.9544 8.6421 129.1387 54.7974 34.9528 175.2220 66 V 4.4648 8.9622 127.2482 61.1214 35.1037 174.3267 67 V 4.4926 8.3535 120.1827 59.9514 33.1433 175.1523 68 I 4.3181 8.9923 127.5489 59.9201 38.9648 175.2262 69 N 5.3682 8.9070 124.5683 50.9255 41.5562 174.6256 70 A 4.2108 7.7180 123.3624 54.5016 18.5696 178.1944 71 G 4.0728 9.9989 111.8786 45.0545 0.0000 172.5913 72 Q 4.8951 8.1711 117.8357 53.9899 33.3612 174.0406 73 F 6.0825 8.3563 113.5735 55.2272 41.2703 173.4511 74 A 4.6915 8.7205 120.6502 50.4518 22.5020 174.7198 75 T 4.9770 8.3281 114.2195 60.5359 69.8690 173.9188 76 S 4.8465 9.4328 122.3089 55.6198 65.0805 171.6073 77 P 4.2281 0.0000 0.0000 61.6555 32.5965 174.0222 78 P 4.5933 0.0000 0.0000 63.8699 31.5371 176.7981 79 Q 3.5903 8.5023 118.8024 56.4862 28.0009 173.1945 80 Y 4.3980 7.8344 121.1167 57.3848 39.9163 175.1257 81 W 4.5509 8.5936 126.8898 56.9667 30.9249 174.8347 82 H 5.2794 8.8771 117.9669 55.7279 31.8479 172.4734 83 R 5.2212 8.7466 114.6087 55.0591 33.3834 173.8527 84 I 5.2516 8.8509 112.4366 59.2899 41.4111 174.0238 85 E 5.0197 9.3091 122.3978 54.6892 33.2296 174.9521 86 L 5.3981 8.5279 122.0057 52.8386 45.3852 176.3204 87 S 4.4928 8.5545 116.4143 57.5287 64.5332 174.7788 88 D 4.3659 8.8800 119.8940 57.0228 40.9639 176.4300 89 D 4.8372 7.9170 115.9822 53.0152 40.0080 175.6587 90 A 4.5952 7.7870 122.4661 52.7340 19.6781 177.3111 91 Q 4.8412 9.4860 123.8685 54.3964 31.9288 174.0717 92 F 5.4174 8.6556 120.4961 56.2341 42.4331 172.1633 93 N 5.1004 9.3898 115.6150 51.7499 41.4410 173.2309 94 I 5.1453 8.3837 118.3790 59.6627 41.2834 174.3730 95 N 5.1118 8.9664 124.1105 51.4624 41.2144 173.6210 96 F 5.3138 9.2008 122.8517 55.9755 40.9592 175.0085 97 W 5.3363 10.0106 124.9442 55.8162 31.7306 175.2012 98 S 3.9750 8.6817 115.7535 57.5086 66.3085 174.3497 99 D 3.7281 6.6563 120.6442 53.9551 40.8324 175.7590 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 I 8.01 2.82 1.06 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.17 0.21 0.00 0.00 7 P 0.00 3.86 0.00 2.17 1.79 0.00 2.74 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 0.67 0.44 0.00 8 K 8.42 4.08 0.00 1.87 1.92 0.00 1.49 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.36 7.81 9 N 7.93 4.85 0.00 2.99 3.07 0.00 0.00 6.13 8.88 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 10 W 8.11 4.74 0.00 3.46 3.55 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 11 T 8.63 4.97 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 1.29 0.00 0.00 12 I 7.64 3.59 1.38 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.56 0.00 0.00 13 Q 8.86 4.21 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 14 R 7.71 4.71 0.00 1.88 1.80 0.00 3.18 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 15 S 8.56 5.22 0.00 3.62 3.56 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 16 T 8.52 4.45 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 17 P 0.00 4.26 0.00 1.99 1.97 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.91 0.00 18 F 8.06 4.45 0.00 2.86 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 19 F 8.69 5.46 0.00 1.90 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 20 T 9.30 5.44 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 1.20 0.00 0.00 21 K 9.04 3.96 0.00 1.93 1.99 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.65 1.56 7.81 22 D 7.72 4.65 0.00 2.75 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 23 N 8.02 5.01 0.00 2.86 2.93 0.00 0.00 6.04 7.68 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 24 V 8.05 3.35 2.33 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 0.84 0.00 0.00 0.99 0.00 0.00 25 P 0.00 4.29 0.00 2.11 2.08 0.00 2.66 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.46 0.00 26 E 8.94 3.93 0.00 2.20 2.26 0.00 0.00 0.00 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 2.38 0.00 27 A 7.96 4.02 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 28 L 8.06 3.91 0.00 1.81 1.79 0.93 0.44 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 29 L 7.88 4.58 0.00 1.84 1.73 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.08 4.72 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 1.17 0.00 0.00 31 H 8.45 4.55 0.00 3.07 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.18 4.81 0.00 3.11 3.38 0.00 5.25 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.72 5.19 0.00 2.18 1.52 0.00 0.00 5.98 7.71 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 34 T 8.18 4.59 4.40 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 1.55 0.00 0.00 35 A 8.38 4.18 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 36 V 8.25 3.85 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 0.74 0.00 0.00 0.99 0.00 0.00 37 D 7.72 5.00 0.00 2.64 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 38 V 7.87 4.98 2.26 0.00 0.00 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 0.00 0.00 0.94 0.00 0.00 39 F 9.96 5.07 0.00 3.45 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 40 G 9.36 4.46 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 0.00 41 Q 9.19 5.20 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 42 I 9.14 4.83 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.98 0.00 0.00 43 C 8.90 5.24 0.00 3.20 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 44 V 8.70 4.74 2.32 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 0.86 0.00 0.00 1.02 0.00 0.00 *46 E 8.48 4.10 0.00 2.08 1.79 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 2.43 2.33 0.00 47 G 9.12 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 48 V 8.28 4.81 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 0.92 0.00 0.00 0.97 0.00 0.00 49 V 8.84 4.74 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 0.70 0.00 0.00 0.71 0.00 0.00 50 T 9.11 4.75 4.11 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 0.00 0.00 0.00 0.70 0.00 0.00 51 Y 8.96 4.68 0.00 2.96 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 52 Y 8.52 4.91 0.00 2.98 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 53 G 8.80 4.81 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 54 F 8.33 5.26 0.00 2.81 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 55 A 8.98 4.28 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 56 N 7.60 4.93 0.00 2.74 2.91 0.00 0.00 6.29 7.64 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 57 S 8.16 2.79 0.00 3.31 2.85 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 58 E 7.53 4.13 0.00 1.77 1.81 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 2.09 2.09 0.00 59 A 7.07 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.50 4.20 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 1.21 0.00 0.00 61 E 7.90 4.89 0.00 2.00 1.84 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 2.23 2.25 0.00 62 P 0.00 4.04 0.00 1.97 1.68 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.49 0.00 63 E 8.54 4.67 0.00 1.99 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 2.35 2.35 0.00 64 I 7.30 4.63 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 1.17 0.00 0.00 65 K 8.64 4.95 0.00 1.85 1.65 0.00 2.05 0.00 0.00 1.70 0.00 0.00 2.67 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.05 7.81 66 V 8.96 4.46 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 0.67 0.00 0.00 0.92 0.00 0.00 67 V 8.35 4.49 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 0.72 0.00 0.00 0.90 0.00 0.00 68 I 8.99 4.32 1.91 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 1.15 0.81 0.91 0.00 0.00 69 N 8.91 5.37 0.00 2.76 2.72 0.00 0.00 6.43 8.13 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 70 A 7.72 4.21 1.22 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 0.00 0.00 71 G 10.00 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 0.00 0.00 0.00 72 Q 8.17 4.90 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 73 F 8.36 6.08 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.72 4.69 0.98 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 0.00 0.00 75 T 8.33 4.98 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 1.13 0.00 0.00 76 S 9.43 4.85 0.00 4.09 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 77 P 0.00 4.23 0.00 2.09 2.22 0.00 3.85 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 2.09 1.79 0.00 78 P 0.00 4.59 0.00 1.96 2.17 0.00 3.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 79 Q 8.50 3.59 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 80 Y 7.83 4.40 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 81 W 8.59 4.55 0.00 3.22 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 82 H 8.88 5.28 0.00 2.83 3.28 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.75 5.22 0.00 2.00 2.21 0.00 2.97 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.89 0.00 84 I 8.85 5.25 1.81 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 1.51 0.96 1.03 0.00 0.00 85 E 9.31 5.02 0.00 2.01 1.93 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 2.34 2.50 0.00 86 L 8.53 5.40 0.00 1.58 1.63 1.23 0.89 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 87 S 8.55 4.49 0.00 3.95 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 88 D 8.88 4.37 0.00 2.66 2.77 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 0.00 0.00 0.00 89 D 7.92 4.84 0.00 2.82 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 90 A 7.79 4.60 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 9.49 4.84 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 92 F 8.66 5.42 0.00 3.50 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 93 N 9.39 5.10 0.00 2.49 2.63 0.00 0.00 7.18 7.08 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 94 I 8.38 5.15 1.82 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.11 0.47 0.00 0.00 95 N 8.97 5.11 0.00 2.63 2.38 0.00 0.00 6.58 8.43 0.00 0.00 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 F 9.20 5.31 0.00 3.07 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 97 W 10.01 5.34 0.00 3.71 3.65 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 98 S 8.68 3.97 0.00 3.82 3.47 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 99 D 6.66 3.73 0.00 1.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.