NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3028 8.1593 117.3740 63.2624 69.6905 173.6809 2 S 4.2230 8.3320 121.3176 56.6414 64.3444 173.6751 3 K 3.9930 9.4757 123.1336 59.6280 32.6987 180.3425 4 K 3.9913 8.1076 117.7606 59.2164 32.1842 179.0575 5 K 4.0171 7.6074 117.9872 58.8919 32.1660 177.5455 6 R 4.3783 7.6342 115.4511 56.3313 29.8527 177.0233 7 Q 4.0584 7.6733 116.8316 56.9188 29.0869 175.8522 8 R 4.2906 7.6788 118.3889 57.0019 30.4649 176.6176 9 G 4.0385 9.0978 111.5356 45.2556 0.0000 173.8289 10 S 4.2507 7.4224 111.9467 57.7207 63.0829 173.0905 11 R 3.9899 7.3892 121.8645 57.6088 29.6473 176.1796 12 T 4.1587 7.5677 106.6740 62.0798 69.8385 174.8690 13 H 4.7490 8.2775 116.4735 55.9376 26.8386 175.6412 14 G 3.9177 8.7096 105.1100 45.6814 0.0000 174.8667 15 G 3.9453 7.9955 107.0405 44.9862 0.0000 175.3594 16 G 3.9099 7.9213 111.7902 46.1511 0.0000 177.3648 17 S 4.5652 7.4059 117.8587 56.9784 63.1472 173.7272 18 H 4.4588 8.7516 119.5358 57.1156 28.4019 175.9409 19 K 4.1664 7.4730 119.2663 56.8795 31.9377 177.3161 20 N 4.3928 7.5745 117.0651 55.6600 39.4249 177.0386 21 R 4.4369 7.4506 118.4638 55.9684 29.3145 176.8701 22 R 4.5699 7.3517 121.6264 56.2643 30.9469 180.4120 23 G 4.0524 8.5979 123.7932 46.1993 0.0000 174.4443 24 A 4.2450 8.6382 121.6860 54.0879 17.9029 179.7853 25 G 3.5991 7.9643 104.6777 47.9234 0.0000 175.4204 26 H 4.3732 7.8817 119.1563 58.5604 29.8866 176.9454 27 R 4.2523 7.8701 118.7068 56.3137 30.3962 177.1747 28 G 3.9136 6.9655 105.0368 44.5646 0.0000 173.3943 29 G 3.7064 6.9345 107.0020 43.9391 0.0000 173.2847 30 R 4.5718 8.3609 119.8948 55.1789 34.1431 176.1697 31 G 3.9309 8.8153 113.7974 47.2305 0.0000 174.1234 32 D 4.6202 9.0187 126.0578 53.6569 41.4753 175.7853 33 A 4.0240 7.4413 122.6300 54.0406 18.9798 177.8808 34 G 3.8296 8.9315 108.7878 46.0643 0.0000 175.7864 35 R 3.9010 7.4338 117.3252 57.6944 29.4908 177.8529 36 D 4.7652 7.8945 116.6979 54.0841 42.8229 177.3358 37 K 4.1215 8.3788 118.6865 57.6700 30.0686 178.1937 38 H 4.5456 9.5956 126.0749 58.2935 29.6768 175.9355 39 E 4.7456 7.5257 119.5441 55.5248 29.5670 176.5881 40 F 4.7421 7.9601 112.4253 57.8578 39.1239 175.9739 41 H 3.7724 7.4257 119.4870 56.9921 28.7842 174.7504 42 N 4.2280 8.7503 121.8445 54.8718 36.1239 173.7536 43 H 4.9523 7.9776 112.0469 53.8110 32.5025 173.7724 44 E 4.2738 8.6395 122.3706 54.9709 30.1721 175.0784 45 P 4.4539 0.0000 0.0000 62.6045 31.8302 175.7954 46 L 4.0746 8.1399 119.3884 53.8962 42.0333 176.9129 47 G 4.3932 8.0107 109.0687 43.2886 0.0000 172.1092 48 K 4.5615 7.9689 119.6462 54.5243 33.8860 176.3570 49 S 4.5179 8.1433 116.2314 57.1790 65.1582 174.9592 50 G 4.0209 8.9708 117.7714 45.7857 0.0000 171.7403 51 F 5.0405 8.5832 113.9618 55.4683 41.0283 173.5363 52 K 4.3893 8.4397 119.7602 54.5539 34.8634 176.0303 53 R 4.6046 7.9526 120.7974 53.3092 32.2036 174.5784 54 P 4.2075 0.0000 0.0000 63.4245 31.3389 177.1462 55 Q 3.9425 8.8686 121.4813 58.6368 28.7063 177.8754 56 K 4.1895 7.9338 114.2238 57.5025 33.2677 177.1856 57 V 4.1645 7.6918 118.6292 62.6317 31.6087 174.5765 58 Q 4.4551 7.7643 117.5476 54.4863 29.9064 174.6222 59 E 4.2182 8.5353 122.7371 54.8772 30.9281 174.8889 60 E 4.5442 8.4490 124.3693 54.3528 31.6995 174.8110 61 A 4.8617 8.5853 128.5513 51.2962 20.6905 176.7191 62 A 4.5549 8.5301 122.3521 50.6673 19.7594 176.3429 63 T 4.2652 8.2796 111.7160 62.2346 70.4070 174.5076 64 I 4.4675 7.8959 124.6595 60.1117 41.8827 173.7836 65 D 5.0839 8.7555 129.0025 53.7515 42.1363 177.9066 66 V 3.7817 8.1100 114.5521 63.9922 31.4309 179.0681 67 R 3.9463 7.6247 117.9661 59.1877 29.3563 178.0206 68 E 3.9799 8.0634 119.1826 59.1829 29.4094 178.8531 69 I 3.7602 7.6036 118.7485 64.2405 37.3225 177.4040 70 D 4.4646 7.8178 117.6941 57.2866 41.1907 177.8682 71 E 4.1693 8.1840 118.2132 57.9039 30.7839 177.3373 72 N 4.8840 7.4516 115.5592 51.5131 37.7794 173.8636 73 V 3.9658 7.3410 114.2046 62.5590 34.2188 178.7809 74 T 3.8470 7.6296 108.5010 64.1800 68.9079 175.4680 75 L 4.1564 7.7384 120.6272 56.1273 42.4918 177.2751 76 L 4.4572 7.0273 119.1423 53.2120 40.2442 175.9930 77 A 4.4782 7.7101 118.3479 51.9424 19.7822 177.9749 78 A 4.2887 7.8292 118.4975 53.2025 19.1733 177.0985 79 D 5.0397 7.5368 114.8580 51.8763 43.9249 175.9235 80 D 4.4663 8.6441 119.3728 55.0564 42.0463 176.0559 81 V 4.4630 8.5001 122.4007 60.9919 32.7081 174.6764 82 A 4.6345 8.2957 135.0000 52.0332 17.9643 178.0020 83 E 3.9056 8.5693 113.5225 59.3537 30.3472 177.0146 *89 F 4.4846 7.8214 118.8059 57.4719 40.7271 173.7518 90 R 4.9063 8.5428 125.4334 55.0824 30.8671 175.9623 91 V 4.4705 8.8929 126.6688 59.9655 35.2024 174.3727 92 D 4.6931 8.7716 124.8547 52.9198 41.1075 176.7929 93 V 3.6886 8.5755 128.3544 65.7760 31.7741 178.4377 94 R 3.9598 8.2025 117.7968 58.6860 29.9810 176.8499 95 D 4.7876 7.8696 115.0416 54.0309 41.2064 176.7170 96 V 4.0890 7.6055 119.8023 64.2398 32.8006 176.7641 97 V 3.7386 7.5240 118.2334 62.6737 31.9596 175.2285 98 E 4.3098 8.5006 125.9798 56.7625 30.4289 175.4708 99 E 3.7200 8.6494 116.8760 57.8112 26.5067 175.3846 100 A 4.3107 8.0979 119.6112 53.1564 19.1455 179.1296 101 D 4.5503 8.0511 116.1543 56.7056 41.4483 177.4531 102 D 4.7263 7.9934 115.3167 53.1246 39.6975 175.4696 103 A 4.7708 7.5366 121.2558 50.9096 21.4615 177.1886 104 D 4.5969 8.5558 121.9412 56.9875 40.9564 176.3064 105 Y 4.9300 7.4575 114.7116 55.5537 42.2074 173.4973 106 V 4.0915 8.8161 121.3666 61.9275 32.5528 174.3676 107 K 4.8056 8.4212 130.5006 54.5764 34.2936 174.8398 108 V 4.4081 8.0990 127.8815 61.6642 32.9387 174.6839 109 L 4.5868 9.1206 128.8451 53.7598 43.7269 176.5001 110 G 4.3334 8.5796 110.1551 44.5394 0.0000 170.9963 111 A 4.6149 8.1258 124.7892 51.4265 22.4767 174.1086 112 G 3.7928 8.8036 108.2076 44.2146 0.0000 172.6290 113 Q 4.6522 8.4646 118.1699 54.0976 31.7241 175.7283 114 V 4.3693 7.9376 118.6763 61.4439 32.1317 175.3536 115 R 4.2206 8.9952 124.5222 56.6956 30.3640 175.9048 116 H 5.0538 7.7835 114.1986 53.5914 32.4799 172.0196 117 E 4.7823 8.7844 118.6072 55.3590 30.2057 175.6409 118 L 5.1253 8.5593 123.5105 53.1880 46.2619 175.7666 119 T 5.0632 9.3765 120.4915 61.1636 70.1584 172.5354 120 L 4.9741 8.2837 126.5587 53.6785 43.9738 175.7778 121 I 5.6691 8.8623 123.8232 59.0551 39.8536 174.4746 122 A 4.7534 8.5526 127.4782 50.8786 22.7160 176.5588 123 D 4.2604 8.6667 117.9771 57.1654 41.7972 176.4908 124 D 4.8580 7.8828 117.2218 52.3191 44.7295 174.0634 125 F 5.3364 8.7702 122.0260 55.7596 42.7625 174.5412 126 S 4.6592 8.1855 116.0534 57.0935 65.4161 174.8459 127 E 4.1539 8.8172 119.7098 59.1165 28.7547 178.5715 128 G 3.6857 8.0988 105.1741 47.1395 0.0000 175.6044 129 A 4.1326 7.9874 122.7811 55.0652 18.4179 179.9188 130 R 3.8478 7.7239 115.3297 59.6237 30.1297 179.0226 131 E 4.1470 8.0560 117.7956 59.4320 29.2308 179.3612 132 K 4.1367 7.6666 115.7985 57.8690 32.3730 178.3945 133 V 4.1019 7.1475 117.3172 64.4392 32.0060 177.6185 134 E 4.1761 8.0619 117.5489 58.5478 29.4193 177.9024 135 G 3.9068 7.7767 104.9334 45.8117 0.0000 173.4297 136 A 4.5807 7.2764 122.3446 51.7022 20.1060 176.2099 137 G 3.6103 9.0542 103.5654 46.3356 0.0000 172.3731 138 G 4.1750 6.9641 105.7390 46.0853 0.0000 171.6743 139 S 4.9177 8.0507 113.6932 56.2958 66.3260 173.7769 140 V 4.1978 8.1316 120.4603 61.3225 33.5035 174.1767 141 E 4.6267 8.7345 128.4394 54.4114 31.5647 175.8566 142 L 4.9321 8.5172 126.4914 55.1086 43.5808 176.1415 143 T 4.5242 8.2340 120.3015 62.5312 69.9948 175.9630 144 D 4.6317 8.7826 122.4745 56.6769 41.2571 177.5426 145 L 4.2628 7.8976 120.4905 56.5004 42.9742 177.6379 146 G 4.1603 7.8526 105.6567 45.4352 0.0000 174.5956 147 E 4.2753 7.6747 117.0384 57.4497 29.6944 176.7217 148 E 4.4841 7.4466 118.5334 56.8993 29.9914 177.5188 149 R 4.6746 7.2209 113.7409 53.3174 30.9243 175.9020 150 Q 4.2080 7.6892 121.7093 56.7817 28.9154 173.2341 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 T 8.16 4.30 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 2 S 8.33 4.22 0.00 4.08 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 3 K 9.48 3.99 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.46 7.81 4 K 8.11 3.99 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.45 7.81 5 K 7.61 4.02 0.00 1.74 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 6 R 7.63 4.38 0.00 1.96 1.92 0.00 3.20 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 7 Q 7.67 4.06 0.00 2.12 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.01 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 8 R 7.68 4.29 0.00 1.79 1.87 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 9 G 9.10 4.04 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 0.00 0.00 0.00 10 S 7.42 4.25 0.00 4.00 3.94 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 11 R 7.39 3.99 0.00 1.97 1.97 0.00 3.21 0.00 0.00 3.27 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.57 4.16 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 1.30 0.00 0.00 13 H 8.28 4.75 0.00 3.32 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.71 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 0.00 0.00 0.00 15 G 8.00 3.95 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 0.00 0.00 0.00 16 G 7.92 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 0.00 0.00 0.00 17 S 7.41 4.57 0.00 3.89 3.95 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 18 H 8.75 4.46 0.00 3.31 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.47 4.17 0.00 1.66 1.80 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.24 1.25 7.81 20 N 7.57 4.39 0.00 2.85 2.56 0.00 0.00 6.95 7.70 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 21 R 7.45 4.44 0.00 1.78 1.90 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 22 R 7.35 4.57 0.00 1.75 0.89 0.00 3.28 0.00 0.00 3.20 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 23 G 8.60 4.05 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 0.00 0.00 0.00 24 A 8.64 4.25 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 25 G 7.96 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 26 H 7.88 4.37 0.00 3.19 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.87 4.25 0.00 2.11 1.96 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 28 G 6.97 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 0.00 0.00 0.00 29 G 6.93 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 0.00 0.00 0.00 30 R 8.36 4.57 0.00 1.81 1.82 0.00 3.42 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 31 G 8.82 3.93 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 0.00 0.00 0.00 32 D 9.02 4.62 0.00 2.77 2.73 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 33 A 7.44 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.43 3.90 0.00 1.83 2.28 0.00 2.78 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 36 D 7.89 4.77 0.00 2.77 2.80 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 37 K 8.38 4.12 0.00 1.81 1.52 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.41 7.81 38 H 9.60 4.55 0.00 3.32 3.49 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.53 4.75 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 2.21 2.20 0.00 40 F 7.96 4.74 0.00 3.10 3.33 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 41 H 7.43 3.77 0.00 2.92 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.75 4.23 0.00 2.77 2.84 0.00 0.00 6.89 8.16 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 43 H 7.98 4.95 0.00 3.21 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.64 4.27 0.00 1.99 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 2.33 2.30 0.00 45 P 0.00 4.45 0.00 2.19 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.14 4.07 0.00 1.66 1.65 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.01 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 0.00 0.00 0.00 0.00 48 K 7.97 4.56 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.14 4.52 0.00 3.79 3.72 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 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 51 F 8.58 5.04 0.00 3.11 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 52 K 8.44 4.39 0.00 1.70 1.64 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.37 7.81 53 R 7.95 4.60 0.00 1.66 1.80 0.00 3.25 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.00 54 P 0.00 4.21 0.00 2.21 2.22 0.00 3.75 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 2.09 2.04 0.00 55 Q 8.87 3.94 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 56 K 7.93 4.19 0.00 1.84 1.90 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.41 7.81 57 V 7.69 4.16 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 0.81 0.00 0.00 0.93 0.00 0.00 58 Q 7.76 4.46 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 59 E 8.54 4.22 0.00 1.78 1.54 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 2.21 2.16 0.00 60 E 8.45 4.54 0.00 1.95 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 0.00 2.22 2.23 0.00 61 A 8.59 4.86 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 62 A 8.53 4.55 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 63 T 8.28 4.27 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 64 I 7.90 4.47 1.85 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 1.21 0.93 0.91 0.00 0.00 65 D 8.76 5.08 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 66 V 8.11 3.78 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 1.01 0.00 0.00 1.02 0.00 0.00 67 R 7.62 3.95 0.00 2.05 1.97 0.00 3.09 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 1.69 1.64 0.00 68 E 8.06 3.98 0.00 2.03 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 2.29 2.33 0.00 69 I 7.60 3.76 1.88 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 1.52 0.83 0.91 0.00 0.00 70 D 7.82 4.46 0.00 2.93 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 71 E 8.18 4.17 0.00 2.04 1.99 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 2.34 2.47 0.00 72 N 7.45 4.88 0.00 2.67 2.70 0.00 0.00 6.87 7.56 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 73 V 7.34 3.97 1.26 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 0.69 0.00 0.00 0.66 0.00 0.00 74 T 7.63 3.85 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 1.17 0.00 0.00 75 L 7.74 4.16 0.00 1.61 1.73 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.03 4.46 0.00 1.51 1.54 0.95 0.64 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 77 A 7.71 4.48 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 78 A 7.83 4.29 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 79 D 7.54 5.04 0.00 2.58 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 80 D 8.64 4.47 0.00 2.82 2.64 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 0.00 0.00 0.00 0.00 81 V 8.50 4.46 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 0.68 0.00 0.00 1.09 0.00 0.00 82 A 8.30 4.63 1.15 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 83 E 8.57 3.91 0.00 2.03 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 2.22 2.27 0.00 *89 F 7.82 4.48 0.00 3.25 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 90 R 8.54 4.91 0.00 1.81 1.89 0.00 3.22 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 91 V 8.89 4.47 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 0.68 0.00 0.00 0.99 0.00 0.00 92 D 8.77 4.69 0.00 2.80 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 93 V 8.58 3.69 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 0.85 0.00 0.00 0.99 0.00 0.00 94 R 8.20 3.96 0.00 1.93 1.99 0.00 3.25 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 95 D 7.87 4.79 0.00 2.83 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 96 V 7.61 4.09 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 0.73 0.00 0.00 0.95 0.00 0.00 97 V 7.52 3.74 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 0.84 0.00 0.00 0.99 0.00 0.00 98 E 8.50 4.31 0.00 1.99 1.85 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 2.28 2.31 0.00 99 E 8.65 3.72 0.00 2.12 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 2.19 2.28 0.00 100 A 8.10 4.31 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 0.00 101 D 8.05 4.55 0.00 2.67 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 0.00 102 D 7.99 4.73 0.00 2.76 2.73 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 0.00 103 A 7.54 4.77 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 0.00 104 D 8.56 4.60 0.00 2.49 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 0.00 0.00 0.00 105 Y 7.46 4.93 0.00 2.82 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 0.00 106 V 8.82 4.09 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 0.84 0.00 0.00 0.93 0.00 0.00 107 K 8.42 4.81 0.00 1.82 1.63 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.37 7.81 108 V 8.10 4.41 1.72 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 0.94 0.00 0.00 0.54 0.00 0.00 109 L 9.12 4.59 0.00 1.82 1.56 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.58 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 0.00 0.00 0.00 0.00 111 A 8.13 4.61 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.80 3.79 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 0.00 0.00 0.00 113 Q 8.46 4.65 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 V 7.94 4.37 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 0.98 0.00 0.00 0.98 0.00 0.00 115 R 9.00 4.22 0.00 1.71 1.83 0.00 3.14 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 116 H 7.78 5.05 0.00 3.19 3.40 0.00 5.69 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 0.00 117 E 8.78 4.78 0.00 2.12 2.01 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 2.25 2.32 0.00 118 L 8.56 5.13 0.00 1.64 1.63 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.38 5.06 4.28 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 1.24 0.00 0.00 120 L 8.28 4.97 0.00 1.81 1.90 1.13 0.88 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 0.00 121 I 8.86 5.67 1.93 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 1.31 0.54 1.02 0.00 0.00 122 A 8.55 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.67 4.26 0.00 2.64 2.55 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 0.00 124 D 7.88 4.86 0.00 2.17 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 0.00 0.00 0.00 125 F 8.77 5.34 0.00 2.86 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 0.00 126 S 8.19 4.66 0.00 3.94 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 0.00 127 E 8.82 4.15 0.00 2.07 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 0.00 2.38 2.38 0.00 128 G 8.10 3.69 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 0.00 0.00 0.00 129 A 7.99 4.13 1.54 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 0.00 0.00 130 R 7.72 3.85 0.00 2.07 1.93 0.00 3.12 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.77 0.00 131 E 8.06 4.15 0.00 2.05 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 2.33 2.54 0.00 132 K 7.67 4.14 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 133 V 7.15 4.10 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 1.06 0.00 0.00 1.05 0.00 0.00 134 E 8.06 4.18 0.00 2.09 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 2.31 2.16 0.00 135 G 7.78 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 0.00 0.00 0.00 136 A 7.28 4.58 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 0.00 137 G 9.05 3.61 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 0.00 0.00 0.00 138 G 6.96 4.18 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 0.00 0.00 0.00 139 S 8.05 4.92 0.00 3.70 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 0.00 140 V 8.13 4.20 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 -0.44 0.00 0.00 0.55 0.00 0.00 141 E 8.73 4.63 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 142 L 8.52 4.93 0.00 1.67 1.59 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.23 4.52 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 1.23 0.00 0.00 144 D 8.78 4.63 0.00 2.68 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 0.00 145 L 7.90 4.26 0.00 1.74 1.87 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.85 4.16 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 0.00 147 E 7.67 4.28 0.00 2.13 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 2.35 2.29 0.00 148 E 7.45 4.48 0.00 2.08 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 0.00 2.34 2.30 0.00 149 R 7.22 4.67 0.00 1.74 1.83 0.00 3.23 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 150 Q 7.69 4.21 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.