NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5730 8.3149 120.0857 56.3891 33.6316 174.6552 6 I 4.5138 9.2612 125.1005 58.5887 41.5573 168.9871 7 V 4.9170 9.0924 125.0630 61.2439 34.3909 173.8075 8 L 5.0485 8.6915 127.5398 53.0212 44.5047 175.6993 9 K 4.6366 8.7791 124.8887 54.9534 33.4727 176.8199 10 S 4.5714 8.4705 119.8128 57.4938 64.0905 174.4060 11 S 4.6887 8.6032 113.4882 58.6033 61.4621 174.0237 12 D 4.5663 7.9275 117.7983 52.4316 39.1614 174.7393 13 G 3.8732 8.4114 110.4939 47.8453 0.0000 173.5064 14 E 4.8762 8.0493 121.5976 54.6072 32.4081 174.2689 15 S 4.3800 8.4824 118.1417 59.1784 64.4066 173.7633 16 F 4.6039 8.8084 121.6017 55.5403 42.2634 173.8701 17 E 4.4151 8.9602 126.0166 55.9011 29.8462 175.9964 18 V 4.6938 8.7216 119.8552 59.3919 36.5314 175.6244 19 E 4.3693 8.6813 122.0973 55.7828 29.9767 176.7611 20 E 3.8222 8.4899 119.0766 60.4401 29.1648 178.8103 21 A 4.1580 7.7300 121.6469 54.4226 18.7450 179.3301 22 V 3.6638 7.6806 116.8087 65.9419 31.6139 177.7077 23 A 4.1139 7.8813 119.4877 54.1183 18.0524 178.5315 24 L 4.3725 7.1369 114.3495 55.4841 41.9954 177.7739 25 E 3.9484 7.7305 119.2730 58.9014 29.7469 177.0340 26 S 4.3771 7.7182 113.1913 57.2195 62.1064 174.4756 27 Q 4.2240 8.6170 127.3330 57.9297 28.7349 178.7225 28 T 4.0557 7.5633 114.8674 66.0136 68.9499 176.7494 29 I 3.9707 7.4984 121.0559 63.1098 37.2463 178.1097 30 A 4.0622 8.1387 122.4055 55.4830 18.0720 179.1202 31 H 4.5755 7.7065 109.1391 56.6778 28.5034 175.6414 32 M 4.8242 7.6618 117.7046 55.3894 32.9308 176.5609 33 V 4.2873 7.9680 109.0662 61.7151 31.3626 176.5631 34 E 4.2718 7.3902 119.8137 58.4104 30.4085 177.4273 35 D 4.6472 7.7963 119.1079 53.7629 39.1118 175.0401 36 D 4.9729 7.7910 121.4718 54.6702 38.7632 176.7067 37 C 4.5080 8.6995 122.7249 60.8287 28.4188 175.9685 38 V 3.7442 7.4488 120.1414 65.0097 31.4158 177.5093 39 D 4.3908 8.3021 118.8800 57.6919 40.6040 177.4308 40 N 4.8015 7.8505 113.5652 52.5461 38.8966 172.8282 41 G 4.0308 8.1446 111.8078 44.5509 0.0000 174.6605 42 V 3.8377 8.1522 122.2825 60.9609 32.3791 173.3333 43 P 4.9907 0.0000 0.0000 61.8607 32.5732 176.0752 44 L 4.7964 8.8928 125.1799 53.1593 41.9893 174.1053 45 P 4.7421 0.0000 0.0000 63.3086 31.5839 176.6007 46 N 4.6225 8.1605 113.2034 53.1524 39.3767 174.1468 47 V 4.2610 7.2407 119.2991 60.6730 33.2001 174.9000 48 T 4.2113 8.4556 121.3142 62.6911 69.0031 174.3915 49 S 4.1230 8.8136 121.0607 61.3609 62.1748 176.1142 50 K 3.9238 8.2375 121.9297 59.7400 31.6480 178.6093 51 I 3.7847 7.5218 119.2298 64.3433 37.3829 177.6295 52 L 3.7968 8.0587 121.1015 58.2070 41.6612 178.6715 53 A 3.9665 7.9006 120.3988 55.4619 18.2564 179.7363 54 K 4.1410 7.8404 115.3258 59.5787 32.0926 179.8755 55 V 3.7599 8.1403 118.8498 66.2237 31.5496 178.2013 56 I 3.7575 7.8829 119.5636 64.2766 36.7461 177.8965 57 E 4.0459 8.3336 120.2828 59.4510 29.4882 178.4165 58 Y 3.9193 7.7474 119.4647 60.9450 38.9324 177.6162 59 C 3.9522 8.1837 117.6790 62.5832 28.0901 175.5393 60 K 3.6885 8.4746 121.4514 60.1074 31.4387 178.5756 61 R 3.4824 7.2384 117.4855 59.4938 29.9218 177.9965 62 H 4.0101 7.5117 115.2733 58.4457 28.8814 177.5100 63 V 3.6871 7.7708 120.1981 65.5770 31.4423 177.3747 64 E 4.3597 7.7220 118.5854 56.7053 28.5676 177.0130 65 A 4.6499 7.9232 118.4220 51.9770 19.6953 178.6978 66 A 4.1064 8.0231 121.8431 56.5407 19.5491 180.6014 67 A 4.4387 7.2901 119.6595 51.7407 17.8388 179.3127 *80 D 4.6543 8.7258 115.2775 56.3453 41.9368 177.2046 81 D 4.3058 8.1483 118.2197 57.3748 41.4484 177.1192 82 D 4.7158 7.9912 116.1040 54.9967 41.6959 178.1931 83 L 4.0643 7.7717 120.8745 57.7246 41.9712 179.1264 84 K 4.1594 8.2346 117.4421 59.5371 31.8534 178.6229 85 A 4.0499 7.6118 118.6974 54.8495 18.3119 179.2325 86 W 4.2025 8.3901 125.4224 60.5871 30.7527 177.9557 87 D 4.5319 9.1507 118.8680 57.5181 40.1596 178.3727 88 A 4.0054 7.9009 119.8794 55.6911 18.1943 179.0437 89 D 4.3141 8.1440 116.0143 57.0981 41.0159 178.1204 90 F 3.9338 8.0375 120.9932 60.6696 39.3717 176.1558 91 M 4.0744 7.3547 115.8517 55.1853 33.4944 177.3534 92 K 4.2741 7.1858 119.1784 56.3064 29.6674 175.0111 93 I 4.5363 6.8106 113.1472 57.7980 41.4610 176.1156 94 D 4.4749 8.0445 120.1776 52.8011 41.3302 176.8238 95 Q 3.3932 8.3394 118.9475 59.1786 28.7399 179.0051 96 A 3.7739 7.6899 120.6660 55.8584 18.1182 179.7671 97 T 3.7598 7.4120 113.2298 66.4312 68.6344 176.5505 98 L 3.8473 7.7616 122.4998 58.3853 42.0233 179.1370 99 F 4.5339 8.0210 117.5778 60.9008 38.7974 177.5497 100 E 4.1019 8.1943 117.3472 59.0593 29.1039 179.4753 101 L 4.0911 7.6413 119.3897 57.4296 41.8451 178.9993 102 I 3.7209 7.5400 120.5468 63.9385 37.1254 178.1011 103 L 3.9534 8.0393 119.3051 58.1516 41.3992 179.8118 104 A 4.0764 7.8340 120.1187 55.2227 18.3152 179.6056 105 A 3.9430 8.4966 119.7590 55.2335 18.1593 179.3439 106 N 4.3666 8.2221 115.0723 56.6411 39.0830 176.3763 107 Y 4.3935 7.8147 120.5477 62.3438 39.4672 175.9423 108 L 4.1771 8.1700 121.6511 54.5626 43.5566 176.3929 109 N 4.9776 8.2808 112.5351 53.3853 39.0683 177.0228 110 I 4.2561 7.7412 121.3806 59.6456 37.4629 177.0790 111 K 3.9808 8.5132 127.4439 59.3108 31.9833 177.9739 112 N 4.4515 8.2629 116.7821 55.5782 37.1892 176.4286 113 L 3.8548 7.8690 122.3943 56.8604 42.3178 178.4358 114 L 3.9417 7.7564 120.0976 58.1637 42.0816 178.1965 115 D 4.5185 7.7624 116.4436 56.1821 41.0515 177.4197 116 L 4.5148 7.0505 120.6068 56.8454 42.7688 178.2345 117 T 3.8236 7.8054 109.5377 65.0720 68.8212 176.0622 118 C 4.0838 8.0471 120.2948 62.5322 28.2538 176.0548 119 Q 4.2579 8.1827 120.1558 59.4561 28.2541 178.5519 120 T 3.9303 7.5984 116.3123 66.4401 68.7852 176.6448 121 V 3.9123 8.0133 120.0300 66.0550 31.6036 177.8900 122 A 4.0767 8.6385 120.8723 55.4167 17.9361 179.3632 123 D 4.3699 7.9394 116.5352 57.5708 40.8979 178.5313 124 M 4.2524 7.8656 118.8561 58.0336 32.1370 178.6076 125 I 4.2808 7.6756 119.5990 63.2558 37.5980 174.8179 126 K 4.0711 7.7410 123.3983 60.6860 31.6171 175.6180 127 G 4.0258 8.8419 113.5993 45.8315 0.0000 173.3194 128 K 4.4464 8.3101 119.3520 56.1603 33.0938 176.7884 129 T 4.5619 8.1040 110.7956 59.7917 72.2302 173.6673 130 P 4.3350 0.0000 0.0000 65.9021 31.1940 178.5943 131 E 3.9040 8.0989 117.3330 59.5269 29.9578 178.2672 132 E 3.9654 7.9431 118.7214 60.1823 29.2464 179.1906 133 I 3.9619 8.2028 119.8896 64.2358 37.5769 178.1223 134 R 4.2403 8.3701 116.3621 58.7648 29.4716 178.6791 135 T 3.9741 8.2176 118.1930 66.7437 68.2707 176.5866 136 T 4.1420 7.7359 109.8322 61.7832 69.7052 175.3754 137 F 4.7229 8.2903 116.6687 57.7600 44.4842 173.8702 138 N 4.1918 8.1410 117.7859 54.1794 36.3490 171.7698 139 I 4.5011 8.6127 119.0161 58.5019 40.2248 175.8474 140 K 4.0037 8.6012 125.2859 56.0797 32.8766 176.1168 141 N 4.2874 8.7726 123.0846 54.0717 38.1037 173.2596 142 D 4.7869 8.0901 125.6790 52.9939 40.0318 176.3279 143 F 4.8737 8.4958 120.2470 57.5288 39.4934 176.6541 144 T 4.0900 8.6549 116.9711 61.3912 70.4820 173.5852 145 P 4.2804 0.0000 0.0000 65.6217 31.3568 179.0400 146 E 3.9123 8.0847 117.2115 59.3822 29.4138 178.6260 147 E 3.8539 7.8718 118.6721 59.5777 29.5336 178.8103 148 E 3.1700 8.0626 118.9073 59.2569 29.5373 178.8217 149 E 3.6950 7.9161 118.9525 59.0741 29.7456 178.0749 150 E 3.7490 8.3582 119.7542 59.3913 29.5883 178.7966 151 V 3.4664 7.7848 118.3088 66.0713 31.4979 177.8705 152 R 3.6985 7.9781 118.4981 59.3337 29.8711 178.5605 153 R 2.9136 8.1059 117.9511 58.9834 30.0428 178.5652 154 E 3.7145 8.2384 118.5462 59.7989 29.3304 179.2510 155 N 4.3548 8.1360 114.9462 55.8974 38.7052 176.4717 156 Q 4.5152 7.6389 116.2674 55.6819 30.1318 176.8035 157 W 4.8477 8.1505 118.6236 56.9141 30.6966 175.5363 158 A 4.2757 7.7665 117.4246 52.9362 20.3707 176.3862 159 F 4.8976 7.6633 119.8375 59.6792 39.1790 176.0336 160 E 4.5745 9.1796 125.6642 56.1981 29.9801 175.7116 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 5 K 8.31 4.57 0.00 1.67 1.91 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.26 4.51 1.89 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 1.12 1.07 0.92 0.00 0.00 7 V 9.09 4.92 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 8 L 8.69 5.05 0.00 1.72 1.57 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.78 4.64 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.47 4.57 0.00 4.03 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 11 S 8.60 4.69 0.00 3.98 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 12 D 7.93 4.57 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 13 G 8.41 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 0.00 0.00 0.00 14 E 8.05 4.88 0.00 2.02 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 0.00 2.31 2.48 0.00 15 S 8.48 4.38 0.00 3.72 3.84 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 16 F 8.81 4.60 0.00 3.11 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 17 E 8.96 4.42 0.00 1.97 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 2.30 2.42 0.00 18 V 8.72 4.69 2.12 0.00 0.00 0.00 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 1.00 0.00 0.00 19 E 8.68 4.37 0.00 2.06 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 0.00 2.39 2.35 0.00 20 E 8.49 3.82 0.00 2.06 1.89 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 2.37 2.45 0.00 21 A 7.73 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.68 3.66 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 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.88 4.11 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 24 L 7.14 4.37 0.00 1.81 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.73 3.95 0.00 2.05 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 2.33 2.37 0.00 26 S 7.72 4.38 0.00 3.89 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 27 Q 8.62 4.22 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.56 4.06 4.10 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 1.05 0.00 0.00 29 I 7.50 3.97 2.03 0.00 0.00 0.83 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 1.10 0.89 0.00 0.00 30 A 8.14 4.06 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 31 H 7.71 4.58 0.00 3.24 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.66 4.82 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 33 V 7.97 4.29 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 0.79 0.00 0.00 0.98 0.00 0.00 34 E 7.39 4.27 0.00 1.96 1.88 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 2.26 2.23 0.00 35 D 7.80 4.65 0.00 2.90 2.88 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 36 D 7.79 4.97 0.00 2.92 2.91 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 37 C 8.70 4.51 0.00 2.97 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 38 V 7.45 3.74 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 1.04 0.00 0.00 0.93 0.00 0.00 39 D 8.30 4.39 0.00 2.69 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 40 N 7.85 4.80 0.00 2.66 2.82 0.00 0.00 7.10 8.42 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 41 G 8.14 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 0.00 0.00 0.00 42 V 8.15 3.84 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 0.84 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.99 0.00 2.12 2.14 0.00 3.46 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 1.98 2.10 0.00 44 L 8.89 4.80 0.00 2.01 1.84 0.99 0.71 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 45 P 0.00 4.74 0.00 2.19 2.20 0.00 3.61 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 2.00 2.15 0.00 46 N 8.16 4.62 0.00 1.44 2.06 0.00 0.00 6.83 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 47 V 7.24 4.26 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 0.99 0.00 0.00 1.19 0.00 0.00 48 T 8.46 4.21 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 1.27 0.00 0.00 49 S 8.81 4.12 0.00 4.34 3.96 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 50 K 8.24 3.92 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 I 7.52 3.78 2.03 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 1.53 0.83 0.93 0.00 0.00 52 L 8.06 3.80 0.00 1.62 1.66 0.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.90 3.97 1.58 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 0.00 0.00 54 K 7.84 4.14 0.00 2.08 2.07 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.62 1.52 7.81 55 V 8.14 3.76 2.25 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 1.09 0.00 0.00 1.03 0.00 0.00 56 I 7.88 3.76 2.01 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.96 0.00 0.00 57 E 8.33 4.05 0.00 2.26 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 2.79 2.60 0.00 58 Y 7.75 3.92 0.00 2.65 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 59 C 8.18 3.95 0.00 3.04 2.95 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 0.00 0.00 0.00 60 K 8.47 3.69 0.00 1.93 1.90 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 R 7.24 3.48 0.00 0.80 1.19 0.00 2.74 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 62 H 7.51 4.01 0.00 2.82 3.14 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.77 3.69 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 1.06 0.00 0.00 0.97 0.00 0.00 64 E 7.72 4.36 0.00 1.94 1.82 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 2.25 2.26 0.00 65 A 7.92 4.65 1.21 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 66 A 8.02 4.11 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 67 A 7.29 4.44 1.06 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 0.00 0.00 *80 D 8.73 4.65 0.00 2.75 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 81 D 8.15 4.31 0.00 2.76 2.67 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 82 D 7.99 4.72 0.00 2.75 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 83 L 7.77 4.06 0.00 1.77 1.72 0.72 0.89 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 84 K 8.23 4.16 0.00 1.85 1.94 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.58 7.81 85 A 7.61 4.05 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 86 W 8.39 4.20 0.00 3.49 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 87 D 9.15 4.53 0.00 3.07 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 88 A 7.90 4.01 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 89 D 8.14 4.31 0.00 2.86 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 90 F 8.04 3.93 0.00 2.03 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 91 M 7.35 4.07 0.00 1.93 2.17 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 92 K 7.19 4.27 0.00 1.67 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 93 I 6.81 4.54 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.62 0.00 0.00 94 D 8.04 4.47 0.00 2.75 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 95 Q 8.34 3.39 0.00 1.77 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 96 A 7.69 3.77 1.27 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 0.00 0.00 0.00 97 T 7.41 3.76 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 1.09 0.00 0.00 98 L 7.76 3.85 0.00 1.64 1.56 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.02 4.53 0.00 3.20 2.94 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 0.00 100 E 8.19 4.10 0.00 2.18 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 2.50 2.51 0.00 101 L 7.64 4.09 0.00 1.88 1.70 0.82 0.96 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 0.00 102 I 7.54 3.72 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.92 0.00 0.00 103 L 8.04 3.95 0.00 1.87 1.75 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.83 4.08 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 0.00 105 A 8.50 3.94 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 0.00 106 N 8.22 4.37 0.00 2.86 3.02 0.00 0.00 7.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.81 4.39 0.00 2.99 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 0.00 108 L 8.17 4.18 0.00 1.65 1.52 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.28 4.98 0.00 2.59 2.73 0.00 0.00 6.76 7.94 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 0.00 110 I 7.74 4.26 1.91 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 1.21 0.69 1.03 0.00 0.00 111 K 8.51 3.98 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.26 4.45 0.00 3.08 3.14 0.00 0.00 5.86 6.67 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 0.00 113 L 7.87 3.85 0.00 1.71 1.81 0.03 0.46 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 0.00 114 L 7.76 3.94 0.00 1.96 1.65 0.97 1.33 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 0.00 115 D 7.76 4.52 0.00 2.75 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 0.00 116 L 7.05 4.51 0.00 1.82 1.71 1.00 0.79 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 0.00 117 T 7.81 3.82 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 1.22 0.00 0.00 118 C 8.05 4.08 0.00 3.14 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 0.00 119 Q 8.18 4.26 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 120 T 7.60 3.93 4.47 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 1.21 0.00 0.00 121 V 8.01 3.91 2.31 0.00 0.00 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 1.26 0.00 0.00 122 A 8.64 4.08 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 0.00 123 D 7.94 4.37 0.00 2.90 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 0.00 124 M 7.87 4.25 0.00 2.05 2.50 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 125 I 7.68 4.28 2.01 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 1.90 0.93 0.96 0.00 0.00 126 K 7.74 4.07 0.00 1.77 1.87 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.57 7.81 127 G 8.84 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 0.00 0.00 0.00 128 K 8.31 4.45 0.00 1.78 1.80 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.69 7.81 129 T 8.10 4.56 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 1.27 0.00 0.00 130 P 0.00 4.34 0.00 2.21 2.21 0.00 3.61 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 2.12 2.18 0.00 131 E 8.10 3.90 0.00 2.10 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 2.39 2.47 0.00 132 E 7.94 3.97 0.00 2.25 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 2.35 2.40 0.00 133 I 8.20 3.96 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.79 1.03 0.00 0.00 134 R 8.37 4.24 0.00 2.27 2.22 0.00 2.95 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 135 T 8.22 3.97 4.43 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 1.21 0.00 0.00 136 T 7.74 4.14 4.06 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 1.26 0.00 0.00 137 F 8.29 4.72 0.00 3.20 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 0.00 138 N 8.14 4.19 0.00 2.82 2.85 0.00 0.00 6.83 7.94 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 0.00 139 I 8.61 4.50 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.86 0.00 0.00 140 K 8.60 4.00 0.00 1.84 1.82 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.77 4.29 0.00 2.74 2.84 0.00 0.00 7.16 8.47 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 0.00 142 D 8.09 4.79 0.00 2.73 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 0.00 143 F 8.50 4.87 0.00 3.26 2.88 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 0.00 144 T 8.65 4.09 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 1.28 0.00 0.00 145 P 0.00 4.28 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.08 3.91 0.00 2.05 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 2.45 0.00 147 E 7.87 3.85 0.00 2.22 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 0.00 2.39 2.38 0.00 148 E 8.06 3.17 0.00 1.83 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 2.15 2.03 0.00 149 E 7.92 3.69 0.00 2.21 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 2.13 2.20 0.00 150 E 8.36 3.75 0.00 2.11 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 2.28 2.31 0.00 151 V 7.78 3.47 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 0.91 0.00 0.00 0.79 0.00 0.00 152 R 7.98 3.70 0.00 1.82 1.83 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 153 R 8.11 2.91 0.00 1.84 1.64 0.00 2.70 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 154 E 8.24 3.71 0.00 2.11 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 2.29 2.46 0.00 155 N 8.14 4.35 0.00 2.81 2.86 0.00 0.00 7.02 7.36 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 0.00 156 Q 7.64 4.52 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 157 W 8.15 4.85 0.00 3.39 2.98 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 0.00 158 A 7.77 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.66 4.90 0.00 3.11 2.94 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 0.00 160 E 9.18 4.57 0.00 2.07 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 0.00 2.14 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.