NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4167 8.3049 120.3502 55.2021 33.3789 175.1472 2 L 4.1641 8.2888 125.9583 53.5758 42.9148 175.0011 3 K 4.2106 8.5130 121.1871 56.4566 34.2513 175.4536 4 Q 4.8342 8.8873 126.5632 54.9856 29.8444 174.5394 5 V 4.6155 8.7501 127.6028 61.2291 34.4877 173.7797 6 E 4.7588 8.9593 127.8650 54.5956 31.5563 174.5080 7 I 4.9233 8.1936 127.3646 59.4117 40.7817 174.4388 8 F 5.5149 9.1889 125.1075 56.0230 42.1639 174.4311 9 T 5.3405 8.5880 111.3569 60.9947 72.1100 172.7206 10 D 4.7423 8.8801 120.0596 53.6855 45.9096 174.9351 11 G 4.6525 8.8374 107.9818 44.7779 0.0000 171.9397 12 S 4.9094 9.1229 114.9677 56.8903 66.4306 172.3927 13 C 4.9908 8.4147 124.6646 57.8102 34.3778 174.6867 14 L 4.2672 8.4700 128.7550 51.5935 39.8120 176.7031 15 G 3.9477 7.9445 106.8033 44.8922 0.0000 171.3623 16 N 4.6707 8.2983 119.1634 50.9043 39.0267 172.3938 17 P 4.5880 0.0000 0.0000 62.4010 34.0526 175.2459 18 G 3.9970 7.4645 105.7323 44.6166 0.0000 169.5850 19 P 4.9863 0.0000 0.0000 62.4247 32.3814 176.3740 20 G 4.4824 9.3553 110.4382 45.5466 0.0000 171.0019 21 G 4.7017 9.0871 106.3295 45.5709 0.0000 171.6470 22 Y 5.5826 8.3212 117.5549 55.1954 42.2009 174.5923 23 G 4.7278 9.4343 106.0272 44.9104 0.0000 171.5998 24 A 5.5000 9.5594 124.7695 50.4383 23.3944 175.0524 25 I 5.0815 9.1658 121.6482 59.5765 41.0419 174.3970 26 L 5.2275 9.3715 127.3718 52.9502 44.3249 175.4348 27 R 5.2361 9.4178 123.9255 54.7310 33.5755 173.5929 28 Y 4.8696 9.0555 126.9256 56.3467 42.0892 175.2626 29 R 3.6856 9.3203 127.7638 57.1573 27.8402 175.9440 30 G 4.2789 8.1444 107.1107 45.7326 0.0000 174.5825 31 R 4.0494 7.8218 118.7038 56.0722 30.6337 175.0005 32 E 5.2670 8.5784 122.1168 54.3507 32.8767 174.9004 33 K 4.5997 9.3101 124.8225 54.8716 35.8871 175.2970 34 T 5.0554 8.1117 120.1738 61.8376 71.6289 173.5651 35 F 5.1699 9.0371 122.6810 56.2023 43.6002 173.8296 36 S 4.9903 8.9481 113.8029 58.7276 65.3419 174.1942 37 A 4.2711 6.8334 121.0402 51.0812 22.3861 175.2710 38 G 4.4146 8.2113 106.1319 44.6822 0.0000 171.5619 39 Y 5.3395 9.4022 119.3971 55.9756 41.3407 176.7975 40 T 3.8755 8.9324 114.5051 64.3955 69.9441 173.9174 41 R 4.6567 7.7643 122.5306 55.0123 32.6811 173.5263 42 T 4.1127 8.3568 122.4626 61.8324 71.3274 171.9852 43 T 4.8044 7.9796 108.7972 59.0341 72.2088 173.9200 44 N 4.2324 8.7735 120.4181 57.2963 38.7947 176.5633 45 N 4.6892 8.0345 118.3820 55.9949 38.5087 177.4719 46 R 3.9650 7.9194 118.8152 59.4018 30.1100 179.0025 47 M 4.1573 8.1330 118.5862 58.1870 31.6663 178.6247 48 E 4.1183 8.4606 119.2755 59.1440 29.5044 179.3605 49 L 3.8995 7.7164 119.3388 57.7960 41.7048 178.8725 50 M 3.7544 8.0523 117.9685 58.5025 32.0607 177.9218 51 A 3.5494 7.8424 120.5145 55.1860 18.4747 179.5669 52 A 3.9322 7.4760 119.1503 55.1526 18.3795 179.8288 53 I 3.5442 7.8115 118.6725 64.6225 37.0944 178.8562 54 V 3.3322 8.1011 119.0152 65.6527 31.0464 177.7725 55 A 3.7409 7.4824 119.4340 55.1166 18.4657 179.3681 56 L 3.9511 7.9797 117.5494 58.0441 41.5846 179.6509 57 E 3.9350 8.1529 116.5680 58.6471 29.3839 178.7546 58 A 4.0494 7.3233 119.9426 52.8371 18.6021 177.3640 59 L 4.2034 7.3711 118.6252 54.2381 42.2370 177.2370 60 K 4.2656 8.5728 122.6719 56.9844 32.8374 176.1839 61 E 4.6847 7.6158 114.9455 53.8410 32.6846 174.8741 62 H 4.5382 8.3851 116.7254 56.1316 29.2793 174.6592 63 C 4.9645 8.8623 118.8721 58.0739 33.4746 172.4879 64 E 4.7735 8.8483 120.2991 55.3893 30.6009 175.6211 65 V 4.6098 8.9600 125.2125 60.8992 34.6576 174.1607 66 I 4.4161 8.3276 128.3009 59.2687 39.5964 174.2410 67 L 4.3997 8.0837 131.2386 53.6931 42.7925 175.8219 68 S 5.5864 8.8420 120.4356 56.1192 64.3392 172.7878 69 T 5.0079 8.5136 120.1360 60.9416 70.7258 173.0036 70 D 5.0766 8.1283 126.8906 53.3063 39.8926 176.9266 71 S 4.4838 8.0833 115.1584 58.3778 62.7310 174.1525 72 Q 3.9185 8.7393 131.4054 59.1712 28.8790 177.3756 73 Y 4.3056 8.0377 120.1859 60.7896 39.0545 177.7277 74 V 3.5356 7.5532 118.1785 66.0265 31.5624 177.7041 75 R 2.5100 7.6738 118.0861 59.0803 29.6897 178.1726 76 Q 3.3500 8.0431 117.9857 58.7927 28.5835 179.6276 77 G 3.1135 7.9256 106.6604 47.6661 0.0000 175.9162 78 I 3.6083 7.7491 121.9926 63.6191 37.1831 177.8515 79 T 4.1359 7.5085 108.8165 62.2438 69.3195 175.3239 80 Q 4.2568 7.4704 117.9848 54.8150 31.2553 176.0320 81 W 4.1244 6.9456 115.6769 57.1276 31.6479 177.0099 82 I 3.5405 7.6771 118.3107 64.4783 36.8263 177.2285 83 H 4.1283 7.7408 117.5145 59.4924 30.3046 176.6868 84 N 4.2925 7.7738 117.6457 55.7909 38.4009 177.3631 85 W 4.3119 7.7222 120.5715 59.7446 28.9284 178.5210 86 K 3.4203 7.2805 116.4627 57.9906 31.5449 178.3841 87 A 4.3091 7.3017 119.1673 52.3550 19.4202 177.4835 88 R 4.4750 7.4700 117.1610 56.5733 31.0876 176.2340 89 G 4.2832 9.2861 101.9418 46.1915 0.0000 173.6527 90 W 3.5869 8.3359 115.4954 57.6922 26.2579 174.5357 91 K 4.7652 7.8961 116.6227 54.2920 34.7615 177.4925 92 T 4.1790 9.0622 113.7113 61.3969 68.9466 174.0353 93 A 4.0982 8.6870 123.2039 54.9201 19.3106 178.1332 94 D 4.4614 7.8511 112.5338 53.7116 38.9107 177.4212 95 K 4.5838 6.2398 115.0465 55.7203 37.0490 176.5840 96 K 4.2454 8.1787 119.9831 55.5139 33.0423 175.1760 97 P 4.5250 0.0000 0.0000 62.9697 32.3135 175.9830 98 V 3.9955 7.9375 114.4085 59.5367 33.5548 176.0973 99 K 3.9356 8.4029 124.0672 57.9401 32.4841 176.5517 100 N 4.4455 9.0313 120.2897 54.2437 36.4068 176.9516 101 V 3.5427 7.4954 120.9948 64.6770 31.1440 176.9893 102 D 4.1752 7.8978 119.4566 56.4738 39.2365 178.5262 103 L 4.0082 7.7285 120.2661 56.9455 41.6487 179.2372 104 W 4.2601 8.3762 119.2805 59.9520 28.9671 178.6009 105 Q 3.7529 7.9990 118.0076 58.5683 28.0489 178.5995 106 R 3.9136 7.6414 120.0017 59.0248 30.0728 178.3402 107 L 3.9823 8.3563 120.7601 58.0769 42.1699 178.2403 108 D 4.5679 8.6458 118.0723 57.4965 40.9681 178.1424 109 A 4.0481 7.9369 119.5795 55.2072 18.7411 179.0816 110 A 4.1056 8.1191 119.1974 55.4108 18.4805 179.8526 111 L 4.1222 8.6135 118.0641 57.7991 41.5540 179.5617 112 G 3.8705 8.1279 103.4730 46.4681 0.0000 174.4017 113 Q 4.4818 7.8948 119.5057 55.7937 29.1477 174.0221 114 H 4.9569 7.8617 116.0533 54.5406 34.0668 172.4659 115 Q 4.4899 8.8897 118.5421 54.9377 29.9046 175.2847 116 I 4.6286 8.2889 124.9652 59.2888 39.8707 175.3654 117 K 4.3603 8.5747 126.8764 54.3903 34.7885 175.0300 118 W 4.4656 8.6382 127.7659 55.9580 30.4590 176.0292 119 E 4.1801 8.7827 124.5959 53.9930 31.8680 174.5673 120 W 5.0700 8.3243 127.9953 56.8284 29.6481 175.9733 121 V 4.5580 8.5071 122.0941 60.0011 33.8320 175.2457 *126 G 3.9876 8.8014 108.5584 46.3858 0.0000 173.5001 127 H 4.7992 7.5660 118.5526 51.5767 29.4249 171.9069 128 P 4.1859 0.0000 0.0000 65.6840 31.5665 177.6186 129 E 3.6958 7.7053 116.4451 59.4037 29.2661 179.1269 130 N 4.4392 7.8495 115.9791 56.3040 38.8340 177.1841 131 E 4.0094 8.3946 120.1629 59.5272 29.5545 179.6483 132 R 3.9743 8.1936 118.1962 59.3726 29.9714 178.9505 133 C 4.2356 8.0800 116.7516 62.7229 28.0972 175.5313 134 D 4.3589 8.1279 119.5814 57.3125 40.8132 178.0881 135 E 3.9562 8.0606 118.5764 59.6168 29.6194 179.4310 136 L 4.0015 7.9380 118.5911 57.5622 41.5430 179.5863 137 A 3.9575 8.2719 121.0231 55.1828 18.3709 179.7387 138 R 3.8366 8.3892 116.7834 59.5591 29.9914 179.0470 139 A 3.9543 7.8020 118.6456 55.1437 18.6030 179.2334 140 A 3.9874 7.8612 118.7065 55.3078 18.2645 179.6693 141 A 4.0441 7.8931 118.1626 55.6090 18.5526 179.3011 142 M 4.2559 7.9845 115.1059 56.7271 33.1388 176.2129 143 N 4.9955 7.9457 117.8310 51.2667 39.3063 172.3567 144 P 4.3139 0.0000 0.0000 63.5777 32.2211 176.5903 145 T 4.5333 7.9824 106.0045 60.8841 71.1475 173.5318 146 L 4.5806 7.6181 122.1063 52.7852 44.1492 174.4406 147 E 5.0010 8.4323 120.5695 54.7488 31.3964 176.1463 148 D 4.7196 8.5666 126.2194 52.5582 39.9012 176.0127 149 T 3.9028 8.4196 120.1950 66.1939 68.8098 175.3084 150 G 3.9102 7.9644 105.8975 45.0456 0.0000 172.9095 151 Y 4.3112 7.8401 122.5483 57.5368 39.3028 175.4925 152 Q 3.6789 7.8381 124.8305 56.0292 29.8935 174.7801 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 8.30 4.42 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 2 L 8.29 4.16 0.00 1.75 1.56 0.92 0.66 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 3 K 8.51 4.21 0.00 1.38 0.93 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.32 7.81 4 Q 8.89 4.83 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 5 V 8.75 4.62 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 0.84 0.00 0.00 0.78 0.00 0.00 6 E 8.96 4.76 0.00 2.04 1.75 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 1.57 2.06 0.00 7 I 8.19 4.92 1.63 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.84 0.00 0.00 8 F 9.19 5.51 0.00 2.99 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 9 T 8.59 5.34 4.34 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 1.27 0.00 0.00 10 D 8.88 4.74 0.00 2.70 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 11 G 8.84 4.65 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 0.00 0.00 0.00 12 S 9.12 4.91 0.00 3.89 3.68 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 C 8.41 4.99 0.00 2.99 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 14 L 8.47 4.27 0.00 1.64 1.61 0.97 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 15 G 7.94 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 N 8.30 4.67 0.00 2.62 2.73 0.00 0.00 7.03 7.69 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 17 P 0.00 4.59 0.00 1.83 1.63 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 18 G 7.46 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 0.00 0.00 0.00 19 P 0.00 4.99 0.00 2.14 1.99 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 20 G 9.36 4.48 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 0.00 21 G 9.09 4.70 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 0.00 0.00 0.00 22 Y 8.32 5.58 0.00 3.12 3.22 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 23 G 9.43 4.73 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 24 A 9.56 5.50 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 25 I 9.17 5.08 2.11 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 1.28 0.88 1.06 0.00 0.00 26 L 9.37 5.23 0.00 1.73 1.64 1.23 0.74 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 27 R 9.42 5.24 0.00 1.99 1.85 0.00 3.09 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 28 Y 9.06 4.87 0.00 3.01 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 29 R 9.32 3.69 0.00 1.35 1.61 0.00 2.93 0.00 0.00 2.72 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 30 G 8.14 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 0.00 0.00 0.00 0.00 31 R 7.82 4.05 0.00 2.10 1.91 0.00 3.12 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 32 E 8.58 5.27 0.00 1.94 1.77 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 2.19 2.35 0.00 33 K 9.31 4.60 0.00 1.72 1.40 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.41 7.81 34 T 8.11 5.06 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 1.18 0.00 0.00 35 F 9.04 5.17 0.00 3.11 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 36 S 8.95 4.99 0.00 3.74 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 37 A 6.83 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.21 4.41 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 0.00 39 Y 9.40 5.34 0.00 2.85 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 40 T 8.93 3.88 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 1.21 0.00 0.00 41 R 7.76 4.66 0.00 1.79 1.86 0.00 3.40 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 42 T 8.36 4.11 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 1.23 0.00 0.00 43 T 7.98 4.80 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 1.09 0.00 0.00 44 N 8.77 4.23 0.00 2.85 2.84 0.00 0.00 6.90 6.71 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 45 N 8.03 4.69 0.00 2.55 2.11 0.00 0.00 7.63 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 46 R 7.92 3.96 0.00 1.99 1.89 0.00 3.39 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 47 M 8.13 4.16 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.89 0.00 48 E 8.46 4.12 0.00 2.33 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 0.00 2.43 2.66 0.00 49 L 7.72 3.90 0.00 1.62 1.40 -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.05 3.75 0.00 2.02 2.01 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 2.08 2.62 0.00 51 A 7.84 3.55 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 52 A 7.48 3.93 1.46 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 53 I 7.81 3.54 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.79 0.82 0.00 0.00 54 V 8.10 3.33 1.63 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 0.79 0.00 0.00 0.70 0.00 0.00 55 A 7.48 3.74 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 56 L 7.98 3.95 0.00 1.80 1.69 0.87 0.97 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 57 E 8.15 3.94 0.00 1.80 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 2.30 2.53 0.00 58 A 7.32 4.05 0.99 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 0.00 0.00 59 L 7.37 4.20 0.00 1.66 1.54 0.61 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.57 4.27 0.00 1.71 1.83 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 61 E 7.62 4.68 0.00 1.96 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 2.09 2.21 0.00 62 H 8.39 4.54 0.00 3.03 3.27 0.00 5.89 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 63 C 8.86 4.96 0.00 2.67 2.82 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 0.00 0.00 0.00 64 E 8.85 4.77 0.00 1.89 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 2.25 2.22 0.00 65 V 8.96 4.61 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 0.75 0.00 0.00 0.70 0.00 0.00 66 I 8.33 4.42 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.17 0.79 0.00 0.00 67 L 8.08 4.40 0.00 0.67 1.12 -0.45 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.84 5.59 0.00 3.73 3.64 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 69 T 8.51 5.01 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 1.64 0.00 0.00 70 D 8.13 5.08 0.00 3.04 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 71 S 8.08 4.48 0.00 4.08 3.98 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 72 Q 8.74 3.92 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 73 Y 8.04 4.31 0.00 3.13 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 74 V 7.55 3.54 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 0.97 0.00 0.00 0.97 0.00 0.00 75 R 7.67 2.51 0.00 1.03 1.64 0.00 2.56 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 76 Q 8.04 3.35 0.00 1.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.02 2.37 0.00 77 G 7.93 3.11 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 0.00 0.00 0.00 78 I 7.75 3.61 1.52 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 -0.05 0.49 0.00 0.00 79 T 7.51 4.14 3.99 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 0.98 0.00 0.00 80 Q 7.47 4.26 0.00 1.14 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 81 W 6.95 4.12 0.00 1.78 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 0.00 0.00 0.00 0.00 82 I 7.68 3.54 1.86 0.00 0.00 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 1.57 1.27 0.88 0.00 0.00 83 H 7.74 4.13 0.00 3.01 3.18 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.77 4.29 0.00 2.55 2.74 0.00 0.00 7.01 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 85 W 7.72 4.31 0.00 3.24 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 86 K 7.28 3.42 0.00 1.44 1.62 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.81 1.15 7.81 87 A 7.30 4.31 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 88 R 7.47 4.48 0.00 1.97 1.89 0.00 3.39 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 89 G 9.29 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 0.00 0.00 0.00 0.00 90 W 8.34 3.59 0.00 3.38 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.77 0.00 1.86 1.69 0.00 1.68 0.00 0.00 2.00 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.46 7.81 92 T 9.06 4.18 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 1.18 0.00 0.00 93 A 8.69 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.46 0.00 2.90 2.52 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 95 K 6.24 4.58 0.00 1.65 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.55 7.81 96 K 8.18 4.25 0.00 1.82 1.69 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.55 7.81 97 P 0.00 4.53 0.00 1.87 1.93 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 98 V 7.94 4.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 99 K 8.40 3.94 0.00 1.86 1.84 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 100 N 9.03 4.45 0.00 3.28 2.96 0.00 0.00 6.90 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 0.00 101 V 7.50 3.54 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 0.77 0.00 0.00 0.54 0.00 0.00 102 D 7.90 4.18 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 0.00 103 L 7.73 4.01 0.00 1.54 1.54 0.80 0.85 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 0.00 104 W 8.38 4.26 0.00 3.27 3.43 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 0.00 105 Q 8.00 3.75 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.64 3.91 0.00 1.90 1.99 0.00 3.05 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 107 L 8.36 3.98 0.00 1.74 1.93 1.06 1.15 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 0.00 108 D 8.65 4.57 0.00 3.34 3.11 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 0.00 109 A 7.94 4.05 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 0.00 110 A 8.12 4.11 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 0.00 111 L 8.61 4.12 0.00 1.98 1.87 1.36 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.13 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 0.00 113 Q 7.89 4.48 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.51 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 114 H 7.86 4.96 0.00 2.93 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.89 4.49 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 116 I 8.29 4.63 1.78 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 1.31 0.75 0.09 0.00 0.00 117 K 8.57 4.36 0.00 1.66 1.57 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.32 7.81 118 W 8.64 4.47 0.00 2.71 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 0.00 0.00 0.00 0.00 119 E 8.78 4.18 0.00 1.79 1.65 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 2.20 2.22 0.00 120 W 8.32 5.07 0.00 3.26 3.09 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 0.00 121 V 8.51 4.56 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 0.87 0.00 0.00 1.14 0.00 0.00 *126 G 8.80 3.99 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 0.00 0.00 0.00 127 H 7.57 4.80 0.00 3.22 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.19 0.00 2.03 2.05 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 129 E 7.71 3.70 0.00 1.16 1.12 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 0.00 1.47 2.04 0.00 130 N 7.85 4.44 0.00 2.99 3.04 0.00 0.00 7.13 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 0.00 131 E 8.39 4.01 0.00 2.14 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 2.35 2.59 0.00 132 R 8.19 3.97 0.00 2.00 1.96 0.00 3.07 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 133 C 8.08 4.24 0.00 3.37 3.19 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 0.00 134 D 8.13 4.36 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 0.00 135 E 8.06 3.96 0.00 2.28 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 2.50 0.00 136 L 7.94 4.00 0.00 1.94 1.72 0.96 1.06 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 0.00 137 A 8.27 3.96 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 0.00 138 R 8.39 3.84 0.00 1.98 2.00 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 139 A 7.80 3.95 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 0.00 140 A 7.86 3.99 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 0.00 141 A 7.89 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.98 4.26 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 143 N 7.95 5.00 0.00 2.60 2.64 0.00 0.00 7.16 7.13 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 0.00 144 P 0.00 4.31 0.00 2.22 2.11 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 7.98 4.53 4.17 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 0.00 0.00 1.19 0.00 0.00 146 L 7.62 4.58 0.00 0.80 1.36 0.65 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 5.00 0.00 1.96 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 2.29 2.33 0.00 148 D 8.57 4.72 0.00 2.65 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 0.00 149 T 8.42 3.90 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 1.23 0.00 0.00 150 G 7.96 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 0.00 151 Y 7.84 4.31 0.00 3.10 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 0.00 152 Q 7.84 3.68 0.00 1.83 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.