NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.3517 7.8676 121.4146 61.1976 39.3411 173.6902 6 E 4.6826 8.6652 123.2376 53.8710 31.2452 169.7821 7 V 4.6103 7.9102 120.8095 61.5980 36.5275 173.5228 8 L 5.0239 8.4198 123.1965 53.6696 42.5568 176.1790 9 V 4.4463 8.1620 121.3611 59.0284 33.7191 173.4689 10 P 4.3082 0.0000 0.0000 61.8529 32.1286 177.7616 11 G 4.7925 8.2404 103.0674 44.6317 0.0000 178.6083 12 G 3.8225 8.6309 112.6716 44.8289 0.0000 171.4158 13 E 4.4658 7.2633 122.4977 56.4738 32.1366 174.0172 14 A 4.0509 8.6578 120.9865 52.7390 21.4852 176.6936 15 N 3.9932 8.2496 111.3349 53.7368 35.8825 171.6314 16 P 4.9234 0.0000 0.0000 61.0007 34.4967 176.9714 17 G 3.7154 8.5824 109.6142 48.2582 0.0000 173.4897 18 P 4.4071 0.0000 0.0000 64.0937 31.7589 175.4728 19 P 5.3212 0.0000 0.0000 63.0071 32.1200 176.2845 20 L 4.4811 7.3172 115.7982 54.9879 43.4774 178.2885 21 G 3.6614 8.1202 107.0081 48.1247 0.0000 173.2388 22 P 4.3740 0.0000 0.0000 64.6546 31.8490 177.6515 23 E 3.9972 7.7030 117.7058 58.2146 29.9420 174.9012 24 L 4.7467 7.5028 118.0660 52.7089 42.8760 172.3291 *28 P 4.1060 0.0000 0.0000 62.5904 31.2329 175.4930 29 V 4.0999 8.1853 116.0174 59.9577 32.5689 171.7621 30 D 4.6161 8.9402 133.4167 52.6811 39.4074 173.4938 31 V 4.4428 7.7514 122.3642 61.9621 34.5078 174.2381 32 Q 3.6993 9.0744 120.3868 56.9261 25.5973 174.4391 33 A 4.7445 7.7404 118.5590 52.8245 23.1825 179.5728 34 V 3.3648 7.7996 115.6615 65.9300 31.9607 178.1636 35 V 3.5449 7.8293 119.0964 66.1765 31.4145 176.9309 36 Q 4.7341 7.4993 114.9411 55.3757 28.6260 176.1708 37 E 4.5259 8.1281 119.9229 57.3337 32.6596 177.7867 38 I 3.8076 8.0764 119.2182 63.8254 37.9659 177.6096 39 N 4.5199 8.1283 117.4294 55.6911 37.7464 176.6842 40 D 4.3938 8.3291 118.3255 57.2164 40.9272 177.5934 41 Q 4.1844 7.5041 114.1035 57.9349 29.3726 176.1892 42 T 4.3094 7.5404 111.5952 61.9458 67.7065 174.9706 43 A 4.4694 7.5893 122.9145 51.0776 17.0005 178.2780 *49 E 4.2257 7.7232 119.2543 55.3646 32.3458 178.8682 50 V 4.0361 7.8372 119.8007 60.9764 30.7534 172.8418 51 P 4.4136 0.0000 0.0000 63.1340 32.7487 176.1717 52 V 4.4241 8.0269 113.7012 61.7307 36.4561 173.2819 53 T 4.7849 8.2169 115.8570 63.5755 73.4796 173.0325 54 V 4.2977 8.2185 122.0086 61.4889 34.1964 175.1349 55 K 4.5983 8.8936 130.9520 55.3166 32.4301 173.8480 56 Y 4.9963 8.9084 125.3244 55.9056 39.1053 176.3826 57 D 4.5804 8.8748 126.5792 54.0634 42.2180 174.9299 58 D 4.5401 8.5853 117.4256 56.7443 41.7546 178.1729 59 D 4.7488 8.0635 116.3939 53.3538 39.6572 175.2199 60 G 4.2747 8.0569 108.3055 45.6778 0.0000 174.8702 61 S 4.0250 7.8080 114.8062 58.9959 63.4478 174.0159 62 F 5.4664 7.5828 119.0770 55.3299 40.5346 175.4597 63 E 4.6734 9.3769 120.4838 55.3067 33.0935 174.9249 64 I 4.8583 8.5805 118.5368 59.5208 40.4116 173.8603 65 E 4.7623 8.0872 119.7639 54.6219 32.5419 175.6937 66 V 4.0979 8.0836 118.7834 61.5137 33.7338 175.3713 67 G 3.8811 9.0507 117.5853 45.3135 0.0000 171.0155 68 V 3.8551 8.0796 125.9650 61.9780 32.0980 173.7675 69 P 4.3367 0.0000 0.0000 61.5317 32.2369 174.0504 70 P 4.4360 0.0000 0.0000 62.8720 32.3582 177.3460 71 T 3.8104 8.8631 118.0087 67.1902 68.1567 176.2524 72 A 4.0153 8.0630 120.4878 55.2158 18.4274 178.5495 73 E 4.3313 8.1811 115.9854 58.2317 29.9916 178.4631 74 L 4.2807 7.8686 118.8545 57.1294 41.4893 178.6977 75 I 3.9670 7.6720 111.4453 61.9453 37.7386 177.0555 76 K 4.5807 8.5079 121.6701 56.9050 31.8871 177.4556 77 D 4.5698 7.7512 117.7772 56.0582 42.1427 177.6946 78 E 3.8753 7.5158 117.3757 59.3707 29.5249 178.9762 79 A 4.3440 7.6602 120.0155 53.5656 18.6255 178.6680 80 G 3.6225 7.9046 103.2859 45.8522 0.0000 172.9671 81 F 4.8472 7.8523 116.7963 54.5778 43.0804 174.3678 82 E 4.1420 9.4263 123.7918 58.1689 28.3981 178.7181 83 T 4.0047 5.7900 112.0922 63.3143 69.9783 173.7212 84 G 4.0108 8.1044 111.4701 43.6651 0.0000 173.6621 85 S 4.0576 8.5223 114.8796 58.0269 62.6248 173.8991 86 G 4.0266 8.9640 117.7084 48.1288 0.0000 172.9032 87 E 4.5394 7.9462 119.3663 53.3876 32.3728 174.0160 88 P 4.6416 0.0000 0.0000 61.5215 33.9372 174.3701 89 Q 3.1922 7.3373 114.5259 56.4048 26.3806 173.3247 90 E 4.3483 6.2298 123.7045 56.0114 35.3855 174.8214 91 D 4.5674 7.3265 124.0226 52.4033 41.7241 175.4074 92 F 4.7687 8.4477 125.6458 56.1161 40.4853 176.4976 93 V 3.9835 8.3158 117.2516 61.9857 32.7056 175.2557 94 A 4.2756 7.3952 120.0050 51.3786 21.8298 175.5877 95 D 4.3471 8.0425 118.4760 53.2323 41.6999 174.4051 96 L 4.0999 8.3509 126.7349 54.4238 42.5500 177.9644 97 S 4.2656 8.7696 117.9185 57.8988 63.5492 174.4392 98 V 3.3897 8.0093 119.7663 66.7435 32.0634 177.3277 99 D 4.3781 8.3481 117.6653 58.0018 40.5672 178.8985 100 Q 3.9734 7.6563 116.9701 59.0078 28.7399 179.4565 101 V 3.7621 8.0814 119.4809 65.2916 31.7053 177.9089 102 K 4.0005 8.1736 119.5851 59.3651 31.4978 178.9643 103 Q 3.9585 7.9536 118.0294 58.9994 28.6336 178.0729 104 I 3.4722 7.2184 118.4800 64.5036 37.3706 177.9893 105 A 4.0970 8.0941 120.9319 54.9830 18.1243 179.3046 106 E 3.6178 7.4100 117.4904 59.0143 29.7321 177.7247 107 Q 4.4315 7.2886 115.1600 55.8062 29.3699 175.5479 108 K 4.3441 7.9411 116.0680 57.6914 32.7455 178.3077 109 H 4.2624 8.1040 118.0246 58.4326 28.7384 175.9594 110 P 4.2369 0.0000 0.0000 65.3367 31.0678 176.2799 111 D 4.6429 7.6224 115.4430 54.0723 41.3672 175.4632 112 L 4.8743 7.9048 117.4357 53.8411 45.2766 176.9867 113 L 4.4235 8.1681 121.6841 53.4901 40.3782 175.4006 114 S 5.0119 7.2580 117.7638 57.1446 66.1343 173.6369 115 Y 3.8824 8.1629 116.4683 57.4516 42.6844 175.7319 116 D 4.8199 7.9032 118.3617 51.4186 46.2255 175.8843 117 L 3.8518 8.6350 124.8103 58.9420 42.0770 179.3362 118 T 3.8664 7.9416 115.2057 66.7888 68.5731 175.9829 119 N 4.3615 8.2716 117.5162 56.2508 38.5656 177.2729 120 A 4.0981 8.1285 123.1342 54.5658 18.4013 179.4858 121 A 3.9552 7.9118 118.9097 55.3385 18.4534 179.7784 122 K 3.5998 8.0565 116.9724 59.8537 31.8535 179.4077 123 E 3.9779 7.8516 117.7724 59.2202 29.8086 179.2085 124 V 3.7341 7.8017 118.1945 66.2991 31.7041 178.5813 125 V 3.8062 8.8332 113.2878 64.1920 31.0453 178.8363 126 G 3.6411 7.6266 104.7029 48.0386 0.0000 175.4439 127 T 4.2099 7.7008 115.7436 65.4587 69.0288 176.4483 128 C 4.2828 7.9465 119.9184 63.0066 27.9665 175.8453 129 T 4.1342 7.9906 117.1080 66.4180 68.6155 174.6630 130 S 4.3100 7.5477 119.0369 58.4562 63.0579 173.8516 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 I 7.87 4.35 1.77 0.00 0.00 0.59 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 1.35 0.88 0.00 0.00 6 E 8.67 4.68 0.00 2.20 1.94 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 2.17 2.33 0.00 7 V 7.91 4.61 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 0.93 0.00 0.00 0.99 0.00 0.00 8 L 8.42 5.02 0.00 1.62 1.60 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.16 4.45 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 0.82 0.00 0.00 1.00 0.00 0.00 10 P 0.00 4.31 0.00 1.94 2.06 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 11 G 8.24 4.79 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 12 G 8.63 3.82 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 0.00 0.00 0.00 13 E 7.26 4.47 0.00 2.01 1.92 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 2.16 2.67 0.00 14 A 8.66 4.05 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 15 N 8.25 3.99 0.00 2.89 2.98 0.00 0.00 5.87 7.75 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 16 P 0.00 4.92 0.00 2.15 1.95 0.00 3.56 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 2.02 0.00 17 G 8.58 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 0.00 0.00 0.00 18 P 0.00 4.41 0.00 2.04 2.09 0.00 3.65 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 2.00 2.05 0.00 19 P 0.00 5.32 0.00 2.11 2.14 0.00 3.14 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 20 L 7.32 4.48 0.00 1.64 1.67 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.37 0.00 2.02 2.09 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 23 E 7.70 4.00 0.00 2.18 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 2.36 2.29 0.00 24 L 7.50 4.75 0.00 1.45 1.48 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *28 P 0.00 4.11 0.00 2.07 2.11 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 29 V 8.19 4.10 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 0.81 0.00 0.00 1.05 0.00 0.00 30 D 8.94 4.62 0.00 2.98 2.83 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 31 V 7.75 4.44 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 0.77 0.00 0.00 0.60 0.00 0.00 32 Q 9.07 3.70 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 33 A 7.74 4.74 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.36 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 0.62 0.00 0.00 -0.22 0.00 0.00 35 V 7.83 3.54 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 1.03 0.00 0.00 0.97 0.00 0.00 36 Q 7.50 4.73 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 37 E 8.13 4.53 0.00 2.09 2.16 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 2.25 2.46 0.00 38 I 8.08 3.81 1.86 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 1.33 1.05 0.97 0.00 0.00 39 N 8.13 4.52 0.00 2.91 3.28 0.00 0.00 6.22 8.07 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 40 D 8.33 4.39 0.00 2.91 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 41 Q 7.50 4.18 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.35 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 42 T 7.54 4.31 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 1.37 0.00 0.00 43 A 7.59 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 *49 E 7.72 4.23 0.00 1.87 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 2.21 2.38 0.00 50 V 7.84 4.04 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 0.79 0.00 0.00 0.93 0.00 0.00 51 P 0.00 4.41 0.00 2.15 2.17 0.00 3.90 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 52 V 8.03 4.42 2.21 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 0.85 0.00 0.00 0.97 0.00 0.00 53 T 8.22 4.78 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 1.31 0.00 0.00 54 V 8.22 4.30 2.17 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 0.79 0.00 0.00 0.90 0.00 0.00 55 K 8.89 4.60 0.00 2.00 2.02 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.38 1.43 7.81 56 Y 8.91 5.00 0.00 3.13 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 57 D 8.87 4.58 0.00 2.86 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 58 D 8.59 4.54 0.00 2.72 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 59 D 8.06 4.75 0.00 2.81 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 60 G 8.06 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 0.00 0.00 0.00 0.00 61 S 7.81 4.02 0.00 3.66 3.97 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 62 F 7.58 5.47 0.00 3.13 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 63 E 9.38 4.67 0.00 1.91 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 2.16 2.20 0.00 64 I 8.58 4.86 2.27 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 1.04 0.00 0.00 65 E 8.09 4.76 0.00 2.10 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 2.23 2.23 0.00 66 V 8.08 4.10 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 0.79 0.00 0.00 0.98 0.00 0.00 67 G 9.05 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 0.00 0.00 0.00 68 V 8.08 3.86 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 0.80 0.00 0.00 0.98 0.00 0.00 69 P 0.00 4.34 0.00 2.07 2.02 0.00 3.73 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 2.04 2.11 0.00 70 P 0.00 4.44 0.00 2.22 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 71 T 8.86 3.81 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 1.22 0.00 0.00 72 A 8.06 4.02 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 73 E 8.18 4.33 0.00 2.17 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 2.27 2.34 0.00 74 L 7.87 4.28 0.00 1.86 1.73 0.91 0.48 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 75 I 7.67 3.97 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 1.67 0.89 1.00 0.00 0.00 76 K 8.51 4.58 0.00 1.85 2.02 0.00 2.13 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.72 1.47 7.81 77 D 7.75 4.57 0.00 2.76 2.62 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 78 E 7.52 3.88 0.00 1.89 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 2.49 2.48 0.00 79 A 7.66 4.34 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 80 G 7.90 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 81 F 7.85 4.85 0.00 3.18 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 82 E 9.43 4.14 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 83 T 5.79 4.00 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 84 G 8.10 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 0.00 0.00 0.00 85 S 8.52 4.06 0.00 3.80 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 86 G 8.96 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 87 E 7.95 4.54 0.00 1.89 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 2.23 2.19 0.00 88 P 0.00 4.64 0.00 2.22 2.19 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 89 Q 7.34 3.19 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 90 E 6.23 4.35 0.00 1.85 1.66 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 0.00 2.00 2.15 0.00 91 D 7.33 4.57 0.00 2.54 2.41 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 92 F 8.45 4.77 0.00 3.01 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 93 V 8.32 3.98 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 0.65 0.00 0.00 0.81 0.00 0.00 94 A 7.40 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.04 4.35 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 4.10 0.00 1.69 1.62 0.95 1.13 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 97 S 8.77 4.27 0.00 4.00 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 98 V 8.01 3.39 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 1.01 0.00 0.00 0.93 0.00 0.00 99 D 8.35 4.38 0.00 2.82 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 0.00 100 Q 7.66 3.97 0.00 2.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 101 V 8.08 3.76 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.04 0.00 0.00 102 K 8.17 4.00 0.00 1.87 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 103 Q 7.95 3.96 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 104 I 7.22 3.47 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.91 0.00 0.00 105 A 8.09 4.10 1.39 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 0.00 106 E 7.41 3.62 0.00 2.05 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 0.00 2.32 2.32 0.00 107 Q 7.29 4.43 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 108 K 7.94 4.34 0.00 1.96 1.79 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81 109 H 8.10 4.26 0.00 3.15 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.24 0.00 2.17 2.19 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 111 D 7.62 4.64 0.00 2.66 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 0.00 112 L 7.90 4.87 0.00 1.87 1.50 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.17 4.42 0.00 1.61 1.63 0.93 0.85 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 0.00 114 S 7.26 5.01 0.00 3.77 3.75 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 0.00 115 Y 8.16 3.88 0.00 2.99 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 0.00 116 D 7.90 4.82 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.63 3.85 0.00 1.75 1.71 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.94 3.87 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 1.22 0.00 0.00 119 N 8.27 4.36 0.00 2.77 2.92 0.00 0.00 6.83 8.04 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 0.00 120 A 8.13 4.10 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 0.00 121 A 7.91 3.96 1.38 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 0.00 122 K 8.06 3.60 0.00 2.03 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.66 7.81 123 E 7.85 3.98 0.00 2.22 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 2.36 2.33 0.00 124 V 7.80 3.73 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 125 V 8.83 3.81 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 126 G 7.63 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 0.00 0.00 0.00 127 T 7.70 4.21 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 1.22 0.00 0.00 128 C 7.95 4.28 0.00 3.20 2.96 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 0.00 129 T 7.99 4.13 4.32 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 1.46 0.00 0.00 130 S 7.55 4.31 0.00 4.09 3.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.