NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4422 8.3349 115.3011 58.0441 64.4059 174.1254 3 K 4.3591 7.8935 119.3463 55.5017 33.6980 174.4176 4 K 5.0460 9.6600 123.6738 54.7131 35.2049 174.8950 5 V 4.6595 8.9782 125.6945 60.9376 34.2477 173.8520 6 L 4.9592 8.8019 130.6083 53.8334 43.6485 174.6241 7 L 4.9768 9.2070 129.6572 53.5162 43.9338 175.1958 8 V 4.7322 8.6679 127.8086 61.7786 32.8003 174.1001 9 D 4.7284 8.6957 126.2507 53.4022 44.6490 175.8614 10 D 4.7550 8.8729 123.1838 53.9276 40.3026 176.5360 11 S 4.4589 8.7432 116.4264 57.0559 63.1974 173.9647 12 A 3.9672 8.5883 132.1579 55.2002 18.0139 179.2464 13 V 3.4975 7.6737 116.2448 65.9548 31.6535 177.6855 14 L 3.9595 7.8918 119.9934 58.4567 41.8838 179.0869 15 R 3.9185 8.2229 118.0845 59.1500 29.9913 178.9226 16 K 3.9629 8.1756 119.2850 59.5880 32.1981 178.9771 17 I 3.7620 7.5873 119.9783 64.3954 37.0388 178.6226 18 V 3.6722 8.1524 119.3485 66.0930 31.3778 177.8651 19 S 4.1611 8.5080 113.2877 61.3518 62.2010 175.8026 20 F 4.1316 8.3995 123.2386 61.5480 38.9416 176.7132 21 N 4.3751 8.3743 114.5458 56.4827 38.6853 177.1594 22 L 4.3505 8.3503 120.2888 57.8470 41.7549 179.6283 23 K 4.2435 8.5921 120.0710 58.8750 31.7450 179.5158 24 K 3.7889 7.5759 117.5793 58.7425 31.9438 178.3584 25 E 4.0151 7.5891 117.1990 56.5871 29.6198 177.3532 26 G 3.8136 7.8144 107.7785 44.9766 0.0000 173.1967 27 Y 4.8739 7.1217 116.9779 57.5304 39.9967 173.9407 28 E 4.8435 9.2377 121.6969 54.8234 31.9787 175.1016 29 V 4.8895 8.4552 123.8181 61.1800 33.9152 174.5051 30 I 4.6011 8.8970 128.5979 59.6168 39.8299 174.5648 31 E 5.2572 8.8699 125.2268 54.8019 32.4501 175.2361 32 A 4.6949 8.8459 123.1392 50.6392 22.2648 177.3964 33 E 4.1376 9.3409 120.9765 57.8973 30.3027 175.9518 34 N 4.9395 7.5519 115.3743 50.7662 41.2485 175.3489 35 G 3.5349 8.4925 106.8999 47.6313 0.0000 175.7612 36 Q 3.9499 8.0863 121.3358 59.2114 29.1648 178.1203 37 I 3.6751 8.3057 120.7770 64.3831 37.1196 178.0155 38 A 3.9290 7.8730 121.3079 55.4471 18.3564 179.7983 39 L 3.5475 7.8839 117.1792 57.5968 41.3597 179.6517 40 E 4.0508 8.0435 117.9052 59.4569 29.7578 179.2347 41 K 4.2668 8.2444 118.4927 59.5358 31.9458 179.4427 42 L 4.1066 7.9571 119.7105 57.0094 41.4156 179.4241 43 S 4.5985 8.1132 113.9576 60.8334 62.7871 175.6490 44 E 4.5151 8.2197 120.8425 57.0599 29.8404 176.1005 45 F 4.9579 7.5229 111.3023 55.6134 41.0430 173.2943 46 T 4.2349 8.2210 118.4504 60.8733 68.9530 172.9918 47 P 4.5405 0.0000 0.0000 62.3939 32.1009 176.3298 48 D 4.5338 8.6390 119.1357 56.7311 41.3650 176.6299 49 L 4.5796 7.5404 118.6202 53.8527 45.7615 173.6037 50 I 4.8098 8.5750 125.8263 59.4757 40.2600 174.5098 51 V 4.6596 8.8340 127.3436 61.3353 33.5188 174.2835 52 L 4.8215 8.7683 129.9015 53.7411 45.8387 176.4175 *54 I 3.5985 8.3696 118.1789 61.3602 38.6746 175.9614 55 M 4.5455 7.6807 123.1497 54.9540 31.6002 175.7479 56 M 4.8036 8.0233 122.2367 52.9059 36.2797 173.4518 57 P 4.3192 0.0000 0.0000 63.6753 32.2059 176.0089 58 V 3.6771 8.9434 123.3507 63.3315 31.0849 171.8359 59 M 4.6227 7.3259 117.8178 53.1342 35.0830 174.1697 60 D 5.1639 8.6054 126.5520 52.3494 42.5362 177.4831 61 G 3.4627 8.5217 106.4069 47.5404 0.0000 176.1191 62 F 4.4491 7.7046 119.6084 60.9374 39.0556 177.6030 63 T 3.9354 8.4319 115.3268 66.5337 68.1767 176.6452 64 V 3.5520 7.8060 120.1014 66.1491 31.5740 177.9589 65 L 3.9655 8.1346 118.6505 57.6570 41.2577 179.3047 66 K 3.9163 7.9456 118.1900 59.7944 32.0699 178.6917 67 K 4.2721 8.2348 118.4989 59.3423 31.4000 179.3967 68 L 4.3923 8.3085 119.6461 58.1103 41.3314 179.6024 69 Q 4.1500 7.9238 116.4035 58.7781 28.6694 178.2749 70 E 4.1468 7.8708 118.5095 57.0343 30.0665 177.0259 71 K 4.4675 7.3127 117.9809 54.0228 34.4469 176.5820 72 E 3.9407 8.9721 123.5136 59.7887 29.4565 178.7667 73 E 4.0940 7.9217 115.8210 58.1443 29.9745 177.6290 74 W 4.9163 7.9534 118.0901 57.2151 31.0170 178.0335 75 K 4.2411 8.2530 116.1383 58.8963 32.1144 177.5492 76 R 4.4081 7.7702 116.6044 55.9384 30.9023 176.2613 77 I 3.8228 7.5725 120.8209 60.2341 37.5467 174.0899 78 P 4.4224 0.0000 0.0000 62.8029 32.6807 175.2609 79 V 4.7335 8.3212 122.1116 61.2006 34.7379 173.8001 80 I 4.6644 8.5468 129.2928 59.7754 38.9606 175.0858 81 V 4.2868 8.7798 129.0446 62.4012 32.5703 174.4053 82 L 5.1789 8.6008 130.7326 53.6381 43.8799 175.3443 83 T 4.7518 8.7553 120.0433 60.5133 70.7365 174.5854 84 A 4.0998 8.7522 129.5473 54.2141 18.8865 178.2513 85 K 4.0962 7.9814 116.6927 56.2399 32.4580 177.1749 86 G 3.9794 8.2666 112.6416 43.5118 0.0000 172.7710 87 G 4.1626 8.6411 106.1391 44.6096 0.0000 174.9799 88 E 3.9840 8.9824 121.1464 59.1578 29.3790 179.4855 89 E 3.9133 8.1233 118.8717 59.3029 29.7306 178.3867 90 D 4.4876 8.0969 118.4533 57.3395 40.9550 178.1486 91 E 3.9470 8.0041 119.4363 59.4066 29.6282 178.6496 92 S 4.0714 8.3440 113.3965 61.2916 62.4391 175.8016 93 L 3.8721 8.3876 124.1443 57.4983 41.8081 178.6049 94 A 4.2035 8.3729 120.8206 55.4675 18.3315 179.5992 95 L 3.9908 8.1693 117.6425 57.9774 41.2207 179.9691 96 S 4.1772 8.4850 114.2264 60.7564 62.6020 175.4642 97 L 4.5955 7.4458 120.3916 54.2559 41.7645 177.0339 98 G 4.0663 8.0237 107.2540 44.9205 0.0000 174.2282 99 A 4.1066 7.6946 122.8134 52.2202 18.9469 178.2013 100 R 4.1962 8.7252 123.1058 58.8867 30.8657 176.7211 101 K 4.6915 7.8534 117.9481 54.8577 36.0970 174.7590 102 V 4.8409 8.4413 125.4101 61.4385 33.7339 174.4394 103 M 4.9255 9.4797 127.3442 53.5338 35.6485 174.5913 104 R 5.0705 8.5797 122.5459 55.0507 31.8950 175.6946 105 K 4.6514 8.7059 125.9179 55.0507 33.0887 175.2470 106 P 4.3522 0.0000 0.0000 62.4150 32.1236 175.9844 107 F 4.6477 8.1255 116.6732 55.8132 39.5335 175.6367 108 S 4.3893 8.5893 116.7087 57.1457 63.1171 172.9177 109 P 4.7804 0.0000 0.0000 65.9931 31.1689 178.6608 110 S 4.2092 8.1543 112.3940 61.7710 63.1085 176.5203 111 Q 4.0637 8.2336 121.9686 58.2741 28.3592 178.4267 112 F 4.2221 8.8658 122.1169 61.5828 39.5383 177.2670 113 I 3.5380 8.3349 119.8194 64.1751 36.8412 177.9848 114 E 3.9119 8.2233 120.2283 59.3668 29.4354 178.6418 115 E 3.9083 7.9930 118.8135 59.0359 29.6811 178.7161 116 V 3.2684 7.6747 118.6073 65.8934 31.3250 177.8275 117 K 3.8752 8.0614 117.1278 59.9090 32.4023 178.3365 118 H 4.2895 8.1286 118.0093 59.4819 29.6311 177.3923 119 L 3.8569 7.7333 118.9910 57.2825 41.4365 179.0161 120 L 4.0943 7.7725 118.2070 56.1735 41.6857 176.6377 121 N 4.5774 7.6356 120.0535 53.2444 39.0351 174.0775 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 2 S 8.33 4.44 0.00 3.87 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 7.89 4.36 0.00 1.80 1.59 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.60 7.81 4 K 9.66 5.05 0.00 1.82 1.93 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 5 V 8.98 4.66 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 1.01 0.00 0.00 0.73 0.00 0.00 6 L 8.80 4.96 0.00 1.84 1.46 1.05 0.33 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 7 L 9.21 4.98 0.00 1.78 1.54 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.67 4.73 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 0.74 0.00 0.00 0.86 0.00 0.00 9 D 8.70 4.73 0.00 2.71 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 10 D 8.87 4.76 0.00 2.81 2.86 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 11 S 8.74 4.46 0.00 3.86 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 12 A 8.59 3.97 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 13 V 7.67 3.50 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 1.00 0.00 0.00 0.92 0.00 0.00 14 L 7.89 3.96 0.00 1.74 1.84 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.22 3.92 0.00 1.89 1.99 0.00 3.19 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 16 K 8.18 3.96 0.00 1.95 1.93 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 17 I 7.59 3.76 2.05 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 1.35 0.57 0.99 0.00 0.00 18 V 8.15 3.67 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 1.03 0.00 0.00 0.72 0.00 0.00 19 S 8.51 4.16 0.00 4.12 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 20 F 8.40 4.13 0.00 3.30 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 21 N 8.37 4.38 0.00 3.20 3.19 0.00 0.00 7.16 7.42 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 22 L 8.35 4.35 0.00 1.97 1.96 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.59 4.24 0.00 1.74 1.81 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.51 7.81 24 K 7.58 3.79 0.00 1.45 1.64 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.61 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.77 0.81 7.81 25 E 7.59 4.02 0.00 1.37 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 2.42 2.41 0.00 26 G 7.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.12 4.87 0.00 3.03 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 28 E 9.24 4.84 0.00 1.93 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 2.26 2.28 0.00 29 V 8.46 4.89 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 0.87 0.00 0.00 1.02 0.00 0.00 30 I 8.90 4.60 2.05 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 0.93 0.35 0.93 0.00 0.00 31 E 8.87 5.26 0.00 1.84 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 2.25 2.31 0.00 32 A 8.85 4.69 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 33 E 9.34 4.14 0.00 2.04 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 2.39 2.25 0.00 34 N 7.55 4.94 0.00 3.11 2.88 0.00 0.00 6.17 6.94 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 35 G 8.49 3.53 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 0.00 36 Q 8.09 3.95 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 37 I 8.31 3.68 1.99 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 1.66 0.69 0.92 0.00 0.00 38 A 7.87 3.93 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 39 L 7.88 3.55 0.00 1.81 1.71 0.95 0.21 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 40 E 8.04 4.05 0.00 2.15 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 2.39 2.50 0.00 41 K 8.24 4.27 0.00 2.01 2.13 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.69 7.81 42 L 7.96 4.11 0.00 1.09 0.93 0.22 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.11 4.60 0.00 4.21 4.07 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 44 E 8.22 4.52 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 45 F 7.52 4.96 0.00 3.19 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 46 T 8.22 4.23 4.23 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 0.00 0.00 0.00 1.17 0.00 0.00 47 P 0.00 4.54 0.00 2.26 1.88 0.00 3.30 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 48 D 8.64 4.53 0.00 2.59 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 49 L 7.54 4.58 0.00 1.57 1.29 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.57 4.81 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.46 0.82 0.00 0.00 51 V 8.83 4.66 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 0.80 0.00 0.00 1.04 0.00 0.00 52 L 8.77 4.82 0.00 1.65 1.43 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 *54 I 8.37 3.60 1.65 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.26 0.00 0.00 55 M 7.68 4.55 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 56 M 8.02 4.80 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 57 P 0.00 4.32 0.00 2.03 1.98 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 58 V 8.94 3.68 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 0.72 0.00 0.00 0.93 0.00 0.00 59 M 7.33 4.62 0.00 2.10 1.84 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 2.58 2.52 0.00 60 D 8.61 5.16 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.52 3.46 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 0.00 62 F 7.70 4.45 0.00 3.32 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 63 T 8.43 3.94 4.42 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 1.25 0.00 0.00 64 V 7.81 3.55 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 0.98 0.00 0.00 0.94 0.00 0.00 65 L 8.13 3.97 0.00 1.99 1.95 1.07 0.83 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 66 K 7.95 3.92 0.00 1.93 2.09 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.53 7.81 67 K 8.23 4.27 0.00 2.07 2.06 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.81 7.81 68 L 8.31 4.39 0.00 1.89 1.80 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.92 4.15 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 70 E 7.87 4.15 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 71 K 7.31 4.47 0.00 1.39 1.30 0.00 1.22 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.97 7.81 72 E 8.97 3.94 0.00 1.85 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 2.28 2.26 0.00 73 E 7.92 4.09 0.00 1.46 1.93 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 2.19 2.29 0.00 74 W 7.95 4.92 0.00 3.53 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 75 K 8.25 4.24 0.00 1.90 2.20 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.48 7.81 76 R 7.77 4.41 0.00 1.80 2.00 0.00 3.26 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 77 I 7.57 3.82 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.81 0.00 0.00 78 P 0.00 4.42 0.00 2.04 2.12 0.00 3.64 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 2.10 1.89 0.00 79 V 8.32 4.73 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 1.05 0.00 0.00 0.95 0.00 0.00 80 I 8.55 4.66 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.99 0.00 0.00 81 V 8.78 4.29 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 0.90 0.00 0.00 0.92 0.00 0.00 82 L 8.60 5.18 0.00 1.56 1.44 0.92 0.68 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 83 T 8.76 4.75 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 1.32 0.00 0.00 84 A 8.75 4.10 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 85 K 7.98 4.10 0.00 1.79 2.04 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.37 7.81 86 G 8.27 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 0.00 0.00 0.00 87 G 8.64 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 88 E 8.98 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 2.41 2.38 0.00 89 E 8.12 3.91 0.00 2.03 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 2.33 2.36 0.00 90 D 8.10 4.49 0.00 2.97 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 91 E 8.00 3.95 0.00 2.03 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 0.00 2.34 2.35 0.00 92 S 8.34 4.07 0.00 3.95 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 93 L 8.39 3.87 0.00 1.62 1.53 0.71 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.37 4.20 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 95 L 8.17 3.99 0.00 1.72 1.75 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.48 4.18 0.00 4.02 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 0.00 97 L 7.45 4.60 0.00 1.87 1.80 1.07 1.02 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 98 G 8.02 4.07 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 0.00 0.00 0.00 99 A 7.69 4.11 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 0.00 100 R 8.73 4.20 0.00 1.80 2.12 0.00 3.31 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 101 K 7.85 4.69 0.00 1.80 1.58 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.56 7.81 102 V 8.44 4.84 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 0.92 0.00 0.00 0.97 0.00 0.00 103 M 9.48 4.93 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 104 R 8.58 5.07 0.00 1.85 1.84 0.00 3.25 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 105 K 8.71 4.65 0.00 1.68 1.75 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.41 7.81 106 P 0.00 4.35 0.00 2.06 1.96 0.00 3.75 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 1.95 1.91 0.00 107 F 8.13 4.65 0.00 3.13 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 0.00 108 S 8.59 4.39 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.78 0.00 2.32 2.55 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 110 S 8.15 4.21 0.00 4.10 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 0.00 111 Q 8.23 4.06 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 112 F 8.87 4.22 0.00 3.10 3.41 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 0.00 113 I 8.33 3.54 2.02 0.00 0.00 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 1.85 0.79 0.95 0.00 0.00 114 E 8.22 3.91 0.00 2.20 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 0.00 2.31 2.33 0.00 115 E 7.99 3.91 0.00 2.22 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 2.29 2.29 0.00 116 V 7.67 3.27 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 0.62 0.00 0.00 -0.04 0.00 0.00 117 K 8.06 3.88 0.00 1.90 1.92 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.76 7.81 118 H 8.13 4.29 0.00 3.24 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.73 3.86 0.00 1.51 1.59 0.91 0.80 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 0.00 120 L 7.77 4.09 0.00 1.67 1.56 -0.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.64 4.58 0.00 2.80 2.67 0.00 0.00 6.84 6.84 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 * Residues marked with a * may have inaccurate shift predictions.