NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4668 8.4045 118.7931 54.7308 32.9793 174.5135 *2 S 4.5364 8.5597 109.2047 59.9059 64.3095 168.9561 3 S 4.5712 7.9671 113.9343 57.7809 64.5960 173.6868 4 G 3.8869 8.2485 111.7543 45.6223 0.0000 172.4444 5 K 4.6417 7.9031 117.7039 55.3444 36.1678 175.5200 6 V 4.2970 7.7170 118.0556 60.1383 33.8136 172.6940 7 K 4.6280 8.0699 119.9267 54.2915 35.7091 176.4562 8 A 4.1997 8.5246 125.7217 55.3597 18.3048 180.5054 9 G 3.8065 8.1952 103.7061 47.7474 0.0000 175.8192 10 E 4.0499 8.1377 119.7851 59.4019 29.9986 178.7607 11 L 4.1088 7.5651 117.6340 57.6480 41.4040 179.6634 12 W 4.4656 7.8781 117.8005 59.4323 28.9825 177.1625 13 N 4.9150 7.8654 114.5158 52.2705 38.6422 174.8163 14 K 4.6551 7.0098 119.0846 54.3300 35.0958 176.8285 15 S 4.4156 8.4123 115.5927 57.6550 64.4923 175.2040 16 K 3.9373 8.5864 124.8851 60.2612 31.5062 179.0113 17 D 4.4087 7.9590 119.4055 57.2742 40.8929 178.2175 18 D 4.3858 8.0141 119.1408 57.2357 40.8865 178.7052 19 L 3.9578 7.8102 120.1569 59.1635 40.5201 179.2661 20 T 3.9259 7.5903 112.5894 64.5650 67.2406 176.4335 21 K 3.9959 7.7754 119.8631 59.2272 32.0231 179.0739 22 Q 3.9212 7.9780 119.9531 59.1253 28.8907 177.9539 23 L 3.9162 8.3381 121.5751 57.9751 42.0712 178.8097 24 A 3.9589 7.9180 120.6812 55.2708 18.4247 179.2961 25 E 3.9043 8.2141 117.7778 59.3225 29.6984 179.0014 26 L 4.0036 7.9470 119.1427 57.7434 41.6329 179.6575 27 K 4.0101 7.8579 118.5591 59.5764 31.7186 179.5793 28 T 3.8321 7.5007 114.7383 66.6820 68.8428 175.9907 29 E 4.0521 8.2486 121.1826 59.1481 29.2632 178.4715 30 L 4.0806 8.1801 120.6070 58.1081 42.1899 179.3168 31 G 3.5950 8.2407 105.9178 47.7421 0.0000 175.7661 32 Q 4.1092 7.9024 120.0147 58.7687 28.5549 178.6918 33 L 4.1284 7.3742 117.6564 56.6466 41.8635 179.4707 34 R 4.0493 7.5416 118.0924 59.3660 30.1736 178.7198 35 I 3.7754 7.6454 117.9062 63.9820 38.1685 177.2646 36 Q 4.2142 8.3432 117.9510 57.4142 28.3142 178.1351 37 K 3.9766 7.5670 120.7194 59.3005 32.2734 178.3185 38 V 3.7008 7.4997 117.2404 65.9565 31.4453 177.5388 39 A 4.0601 7.8086 119.0687 53.7523 18.3141 178.1248 40 S 3.9063 7.8894 108.6093 59.3015 61.5004 170.4608 41 S 4.3909 7.8751 112.3087 57.7094 64.0106 174.9888 42 G 3.6186 8.6188 113.1785 47.6642 0.0000 175.9746 43 S 4.1379 8.0796 115.4198 61.0996 62.2064 176.0465 44 K 4.0803 7.9763 120.4550 59.2312 32.9615 177.9576 45 L 3.5188 8.0343 117.6085 58.4753 41.6136 178.2555 46 N 4.2345 6.8219 116.0265 56.6611 37.6898 177.2309 47 R 3.9440 7.9015 120.1756 58.8329 30.0145 178.0176 48 I 3.7861 7.9925 117.5968 63.2725 38.0293 177.2097 49 H 4.3972 8.0794 119.1100 59.6742 30.0916 176.5081 50 D 4.2217 8.1318 119.8307 57.0147 41.0605 177.8837 51 I 3.6769 8.0540 119.6149 63.8650 37.9946 177.8166 52 R 3.8783 7.7097 119.6455 59.2385 29.8391 178.6444 53 K 3.9331 7.8943 117.7154 59.6993 32.0750 179.3543 54 S 4.1138 7.8240 114.9158 61.5024 62.6724 176.8221 55 I 3.6276 7.8355 122.3224 64.3972 36.8219 178.3438 56 A 3.9921 7.8420 121.0802 55.0948 18.2399 179.9789 57 R 3.7691 8.3230 117.0133 59.5237 30.0461 179.7435 58 V 3.5399 7.9252 112.3797 64.2242 31.3460 178.7206 59 L 3.9481 7.8868 118.8322 57.9700 41.4520 179.6693 60 T 3.8349 8.0003 116.0285 66.6217 68.2832 177.2010 61 V 3.0629 7.3490 120.5947 64.4265 31.3540 178.2881 62 I 3.5579 7.3135 119.4342 63.7994 37.8391 177.4962 63 N 4.2855 7.7875 117.2623 56.3438 38.3689 177.1311 64 A 4.0734 8.1020 122.0368 54.9920 18.4151 179.5587 65 K 3.9991 7.8269 118.1063 59.8778 32.3449 179.1191 66 Q 3.9554 8.1213 118.2001 59.0433 28.7171 178.7659 67 R 3.9772 8.1775 118.8805 59.2686 30.1294 178.9983 68 A 4.0347 8.1096 120.3950 55.3048 18.4196 179.7276 69 Q 3.9527 8.3373 116.7818 58.9513 28.8932 178.7323 70 L 3.5683 7.8848 121.3057 58.1344 42.2558 179.0638 71 R 4.0404 8.0029 118.4833 59.4406 29.8001 178.4836 72 L 3.9963 7.8404 117.9920 57.6527 41.6632 178.9621 73 F 3.9259 7.9576 119.8271 61.1935 39.7638 176.3058 74 Y 4.5574 7.8946 114.9451 59.2357 37.7107 177.4474 75 K 4.0049 7.5924 118.6920 58.8255 32.7469 178.6911 76 N 4.4061 7.8534 117.4438 57.6790 39.2678 174.7253 77 K 4.5743 7.7415 122.0487 55.6672 32.9336 175.6248 78 K 4.8646 8.0604 123.6157 56.0053 35.0210 175.0548 79 Y 4.0260 8.3233 119.8568 57.2251 39.7271 170.5783 80 A 3.6390 8.6954 127.1997 52.3177 16.3467 176.5767 81 P 4.6339 0.0000 0.0000 63.6528 32.6504 176.5819 82 L 4.2775 7.5574 120.2297 57.9238 42.6372 177.9186 83 D 4.4649 8.0152 118.1583 57.0943 40.5018 178.3184 84 L 3.9523 7.9669 119.2190 57.7098 41.4882 179.5376 85 R 3.9248 7.7440 117.3848 59.3682 29.8444 178.9249 86 A 4.0278 7.7056 118.4509 54.9657 18.6339 179.1497 87 K 4.0598 8.0331 117.2841 59.1301 32.3698 177.8575 88 Q 3.8810 8.0863 117.5303 53.3007 29.2241 175.6330 89 T 3.4992 6.5555 118.4150 62.6003 68.6798 170.7426 90 R 4.5171 7.7689 126.9252 55.6195 37.2542 176.1587 91 A 3.9963 9.3973 119.8258 55.0320 18.6191 179.8455 92 I 3.6531 7.6580 117.8880 64.7167 37.1269 178.5917 93 R 4.0719 7.7624 116.1380 58.2521 29.8052 178.3994 94 R 4.0751 8.1690 119.6119 59.2588 29.9124 178.5227 95 R 3.9981 7.7640 116.6757 58.5763 30.1266 177.8794 96 L 4.3882 7.4549 117.3052 55.5821 42.3226 176.9027 97 S 4.6718 7.1158 111.8040 58.4015 62.9117 173.4904 98 P 3.6898 0.0000 0.0000 65.0231 31.6544 176.1992 99 D 4.7640 7.6873 119.7814 52.3259 41.8321 175.6520 100 E 4.3340 7.7930 116.8688 57.7792 30.1990 178.1444 101 K 3.8364 7.8729 121.1668 60.1024 32.8844 179.0745 102 S 4.2701 7.7735 114.9300 61.6622 62.6256 176.9264 103 R 4.0337 7.8950 120.3534 59.2065 29.6692 179.0730 104 V 3.6324 7.6136 117.2138 65.3616 31.4708 176.6834 105 L 4.4788 7.0963 116.7466 55.0975 42.1224 176.9016 106 E 4.1209 7.7888 121.1187 58.1001 29.8791 176.8999 107 K 4.4879 7.5133 116.7645 56.0323 35.3062 171.6897 108 T 3.4661 8.6388 127.6730 64.4317 68.1649 171.9027 109 K 3.8013 8.6135 123.1570 56.7269 28.7965 173.4892 110 K 4.6134 7.7826 118.0373 57.0097 38.1724 177.2240 111 R 3.9492 8.3028 118.5009 58.9778 30.1742 175.8889 112 T 4.6072 7.5926 111.6061 60.3285 68.5426 173.7453 113 V 4.4881 8.1351 124.8855 62.5625 36.3136 172.3644 114 H 4.8707 7.8427 118.6326 53.9543 33.0730 172.2855 115 F 4.5227 7.6001 121.4358 57.1456 39.7280 174.0919 116 P 5.0714 0.0000 0.0000 63.3598 32.9400 173.5216 117 Q 4.4716 7.2559 116.0669 57.1250 33.6284 174.6575 118 R 3.9105 7.9167 113.3014 59.2379 30.8289 179.0324 119 K 3.8753 7.9941 118.6230 59.5861 32.0557 178.3470 120 F 4.4277 7.8013 116.7136 60.6602 39.1273 177.1575 121 A 4.0768 7.8334 121.8820 55.3706 18.3763 178.6879 122 I 3.7646 7.3236 114.9488 64.0136 37.1657 176.7375 123 K 4.3205 7.4986 121.8646 54.6231 30.7042 175.9187 124 A 4.2755 7.9632 125.9829 51.8864 19.2752 176.0297 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 *1 M 8.40 4.47 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 *2 S 8.56 4.54 0.00 3.68 3.77 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 3 S 7.97 4.57 0.00 3.85 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 4 G 8.25 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 5 K 7.90 4.64 0.00 1.69 1.67 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.56 7.81 6 V 7.72 4.30 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 0.57 0.00 0.00 0.92 0.00 0.00 7 K 8.07 4.63 0.00 1.83 1.69 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.49 7.81 8 A 8.52 4.20 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.20 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 10 E 8.14 4.05 0.00 2.16 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 0.00 2.34 2.36 0.00 11 L 7.57 4.11 0.00 1.66 1.54 0.80 0.86 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 12 W 7.88 4.47 0.00 3.41 3.14 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 13 N 7.87 4.91 0.00 2.70 2.87 0.00 0.00 6.88 7.74 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 14 K 7.01 4.66 0.00 1.88 1.69 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.49 7.81 15 S 8.41 4.42 0.00 3.90 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 16 K 8.59 3.94 0.00 1.96 2.06 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 D 7.96 4.41 0.00 2.71 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 18 D 8.01 4.39 0.00 2.81 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 19 L 7.81 3.96 0.00 1.89 1.87 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.59 3.93 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 1.28 0.00 0.00 21 K 7.78 4.00 0.00 1.98 1.83 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.58 7.81 22 Q 7.98 3.92 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 L 8.34 3.92 0.00 1.79 1.80 0.89 0.82 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 24 A 7.92 3.96 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 0.00 0.00 0.00 0.00 0.00 25 E 8.21 3.90 0.00 2.29 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 2.30 2.38 0.00 26 L 7.95 4.00 0.00 1.92 1.68 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.86 4.01 0.00 1.73 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 28 T 7.50 3.83 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 1.20 0.00 0.00 29 E 8.25 4.05 0.00 2.16 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 2.30 2.31 0.00 30 L 8.18 4.08 0.00 1.93 1.91 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.24 3.60 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 0.00 0.00 0.00 32 Q 7.90 4.11 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 33 L 7.37 4.13 0.00 1.75 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.54 4.05 0.00 2.06 1.97 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 35 I 7.65 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.95 0.00 0.00 36 Q 8.34 4.21 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 37 K 7.57 3.98 0.00 1.90 1.95 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.59 7.81 38 V 7.50 3.70 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 0.87 0.00 0.00 0.96 0.00 0.00 39 A 7.81 4.06 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 40 S 7.89 3.91 0.00 4.04 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 41 S 7.88 4.39 0.00 3.93 3.71 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 42 G 8.62 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.08 4.14 0.00 3.90 3.87 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 0.00 0.00 0.00 44 K 7.98 4.08 0.00 1.93 1.92 0.00 1.55 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.75 7.81 45 L 8.03 3.52 0.00 1.75 1.67 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 N 6.82 4.23 0.00 2.99 3.12 0.00 0.00 6.88 7.50 0.00 0.00 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 R 7.90 3.94 0.00 2.05 2.00 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 48 I 7.99 3.79 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 1.00 0.00 0.00 49 H 8.08 4.40 0.00 3.25 3.43 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.13 4.22 0.00 2.83 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 51 I 8.05 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 0.98 0.00 0.00 52 R 7.71 3.88 0.00 2.10 2.02 0.00 3.17 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 1.62 1.67 0.00 53 K 7.89 3.93 0.00 1.91 1.79 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.56 7.81 54 S 7.82 4.11 0.00 4.06 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 55 I 7.84 3.63 1.98 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 1.43 0.63 0.88 0.00 0.00 56 A 7.84 3.99 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 57 R 8.32 3.77 0.00 2.06 1.89 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 58 V 7.93 3.54 2.02 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 0.86 0.00 0.00 0.93 0.00 0.00 59 L 7.89 3.95 0.00 1.89 1.67 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.00 3.83 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 1.19 0.00 0.00 61 V 7.35 3.06 0.95 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 0.64 0.00 0.00 -0.95 0.00 0.00 62 I 7.31 3.56 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 0.94 0.00 0.00 63 N 7.79 4.29 0.00 2.89 2.86 0.00 0.00 6.93 7.10 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 64 A 8.10 4.07 1.55 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 0.00 0.00 65 K 7.83 4.00 0.00 2.01 1.95 0.00 1.69 0.00 0.00 1.92 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.59 7.81 66 Q 8.12 3.96 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 67 R 8.18 3.98 0.00 1.92 2.05 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 68 A 8.11 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.34 3.95 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 70 L 7.88 3.57 0.00 1.97 1.72 0.77 0.86 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 71 R 8.00 4.04 0.00 2.31 2.14 0.00 3.51 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 72 L 7.84 4.00 0.00 1.82 1.71 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.96 3.93 0.00 3.02 2.78 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 0.00 0.00 0.00 74 Y 7.89 4.56 0.00 2.76 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 0.00 0.00 0.00 75 K 7.59 4.00 0.00 1.89 1.97 0.00 1.45 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.65 7.81 76 N 7.85 4.41 0.00 2.69 2.80 0.00 0.00 6.91 7.61 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 77 K 7.74 4.57 0.00 1.87 1.76 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.56 1.66 7.81 78 K 8.06 4.86 0.00 1.72 1.68 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.41 7.81 79 Y 8.32 4.03 0.00 2.16 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 0.00 0.00 0.00 80 A 8.70 3.64 1.09 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 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.63 0.00 2.20 2.13 0.00 3.73 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 1.90 1.98 0.00 82 L 7.56 4.28 0.00 1.77 1.76 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.02 4.46 0.00 2.74 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 84 L 7.97 3.95 0.00 1.75 1.68 0.75 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.74 3.92 0.00 1.93 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 86 A 7.71 4.03 1.33 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 87 K 8.03 4.06 0.00 1.76 1.82 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 88 Q 8.09 3.88 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 89 T 6.56 3.50 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 1.24 0.00 0.00 90 R 7.77 4.52 0.00 1.80 1.40 0.00 3.39 0.00 0.00 3.40 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 91 A 9.40 4.00 1.32 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 0.00 0.00 0.00 92 I 7.66 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 0.91 0.00 0.00 93 R 7.76 4.07 0.00 1.96 1.98 0.00 3.34 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 94 R 8.17 4.08 0.00 2.09 2.05 0.00 3.09 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 95 R 7.76 4.00 0.00 2.12 1.98 0.00 3.20 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 96 L 7.45 4.39 0.00 1.62 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.12 4.67 0.00 3.88 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 98 P 0.00 3.69 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.85 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 99 D 7.69 4.76 0.00 2.76 2.65 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 0.00 100 E 7.79 4.33 0.00 2.01 1.90 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 2.31 2.33 0.00 101 K 7.87 3.84 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 102 S 7.77 4.27 0.00 3.75 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 0.00 103 R 7.90 4.03 0.00 2.04 1.97 0.00 3.17 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 104 V 7.61 3.63 2.22 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 0.79 0.00 0.00 0.99 0.00 0.00 105 L 7.10 4.48 0.00 1.70 1.61 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.79 4.12 0.00 2.15 2.02 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 2.32 2.38 0.00 107 K 7.51 4.49 0.00 1.69 1.60 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.46 7.81 108 T 8.64 3.47 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 1.21 0.00 0.00 109 K 8.61 3.80 0.00 1.86 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.40 7.81 110 K 7.78 4.61 0.00 1.77 1.75 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 111 R 8.30 3.95 0.00 1.82 1.95 0.00 3.26 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 112 T 7.59 4.61 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 1.23 0.00 0.00 113 V 8.14 4.49 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 0.67 0.00 0.00 0.94 0.00 0.00 114 H 7.84 4.87 0.00 2.95 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.60 4.52 0.00 2.85 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 0.00 116 P 0.00 5.07 0.00 2.14 2.22 0.00 3.97 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 117 Q 7.26 4.47 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.10 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 118 R 7.92 3.91 0.00 1.81 1.83 0.00 3.22 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 119 K 7.99 3.88 0.00 1.80 1.75 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.67 1.54 7.81 120 F 7.80 4.43 0.00 2.93 3.07 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 0.00 121 A 7.83 4.08 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 0.00 122 I 7.32 3.76 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.92 0.00 0.00 123 K 7.50 4.32 0.00 1.78 1.80 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.54 7.81 124 A 7.96 4.28 1.32 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.