NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5496 8.3601 120.1925 53.8334 42.6421 175.0392 5 A 4.0961 8.3650 122.7930 53.6311 19.5416 176.1529 6 I 5.0532 7.8792 115.0892 59.7913 41.0865 173.4699 7 S 4.7766 9.0292 120.2376 56.9344 66.9321 172.0559 8 L 5.2413 8.2053 123.1506 53.7107 44.7047 174.7822 9 R 4.7743 8.7988 121.0358 55.0856 33.3041 173.9114 10 A 4.5841 8.7274 121.2775 51.7365 19.0018 177.5108 11 A 4.4126 9.0666 123.2167 52.4015 19.6960 177.6132 12 G 4.0259 9.5427 107.3089 44.1110 0.0000 170.9729 13 P 4.3083 0.0000 0.0000 66.4886 31.4393 178.3850 14 G 3.8310 7.9824 105.6201 47.2899 0.0000 174.0628 15 D 4.5396 8.3623 119.8984 54.8123 40.9621 177.9503 16 L 3.2300 7.2144 121.2117 57.4779 42.0259 176.8121 17 P 4.2319 0.0000 0.0000 65.6784 31.4057 178.7908 18 G 3.5034 7.8728 103.7868 47.6819 0.0000 175.5724 19 L 3.6234 7.8372 121.4201 57.3912 41.5704 179.5774 20 L 4.0153 7.9571 119.1275 57.7899 41.6015 179.3869 21 E 3.9327 8.0397 118.5127 59.3640 29.3329 179.4283 22 L 3.9146 7.5749 118.5659 58.0928 41.6951 179.2510 23 Y 4.4708 7.8921 116.3829 60.8513 37.2182 178.3421 24 Q 4.0808 8.3603 119.6124 58.6257 28.5237 178.6974 25 V 3.5851 7.4490 118.5187 65.7585 31.6713 177.3275 26 L 4.3316 7.8868 118.8568 57.0950 43.1763 177.4263 27 N 4.9524 8.0411 119.6660 49.9655 38.7863 173.1729 28 P 4.4937 0.0000 0.0000 64.2504 31.6702 178.2039 29 S 4.4827 7.8656 111.5972 58.6261 63.7683 174.1891 30 D 4.5368 7.7807 121.9789 53.3238 41.1427 174.5077 31 P 4.3395 0.0000 0.0000 63.0176 31.8052 176.7248 32 E 4.3322 8.3578 120.5689 54.7277 28.2811 175.6772 33 L 4.2780 8.0898 123.4354 54.7249 42.6326 178.3161 34 T 4.2890 8.8269 113.9713 61.2994 70.9775 176.0192 35 T 3.8379 8.3656 118.3561 66.9751 68.5401 176.5470 36 Q 4.1455 7.9611 119.2748 59.1490 28.6845 178.4510 37 E 3.9935 8.1738 117.9398 58.8683 29.7791 178.4324 38 A 4.5371 8.1190 119.1181 52.5661 19.1707 179.3591 39 G 3.6278 7.8931 104.9939 47.5642 0.0000 175.9360 40 A 4.0009 7.9426 122.8440 54.9679 18.3392 179.7731 41 V 3.5562 7.7200 114.9059 65.9955 31.7597 177.3391 42 F 4.4918 8.2867 119.2913 61.4239 39.5011 176.5997 43 A 3.9931 8.3319 120.1538 54.8716 17.8797 180.2283 44 A 3.7525 7.7878 116.7477 52.8425 18.1208 179.3080 *46 L 3.9077 7.9463 122.2274 56.0098 43.5205 178.1362 47 A 4.1234 7.5769 119.4787 53.0950 19.2533 177.0781 48 Q 4.0458 7.6374 118.6375 54.7342 29.2100 173.6321 49 P 4.3411 0.0000 0.0000 64.2940 31.8945 176.9081 50 G 3.8839 8.9942 110.5094 45.2039 0.0000 171.7342 51 L 5.1319 7.5397 121.9118 53.6585 43.7603 175.8636 52 T 4.4483 8.7228 122.0805 61.8194 72.7969 172.7607 53 I 4.5170 8.1350 126.9081 60.1881 39.1361 174.6121 54 F 5.3744 9.2382 126.4983 56.0386 41.5925 175.3734 55 V 5.0263 9.0423 114.9628 59.6010 35.6742 174.4020 56 A 5.1556 8.7438 126.2011 50.8515 21.0378 176.2166 57 T 4.9335 8.9646 111.9167 59.6943 72.6018 172.6244 58 E 4.8900 8.7614 124.2895 54.8266 32.5983 175.4007 59 N 4.2984 10.2984 125.8280 54.3066 36.8825 175.8084 60 G 3.9318 8.4220 105.9680 45.2664 0.0000 174.1941 61 K 4.1550 7.7449 122.1678 54.4774 32.8509 174.2038 62 P 4.6547 0.0000 0.0000 63.2981 31.5133 176.2496 63 V 4.3885 8.5594 115.0312 60.9867 33.8096 175.3181 64 A 4.9027 7.5877 120.7699 51.3044 22.8880 174.7513 65 T 5.2781 8.7887 112.4513 61.2656 71.5676 172.3929 66 A 5.2058 9.0185 126.2452 51.0696 23.3967 175.1039 67 T 5.0371 9.2096 118.0835 61.7868 71.2990 173.1936 68 L 5.1331 9.2000 128.8027 53.4732 44.6232 174.9614 69 L 5.1027 9.1230 126.1079 53.2687 44.4193 175.2476 70 I 4.7316 8.7869 125.9040 59.5838 39.0489 175.6960 71 V 4.3852 8.2833 126.9217 59.9892 34.0619 173.1382 72 P 4.6394 0.0000 0.0000 63.2848 32.4204 175.1043 73 N 4.9869 8.4804 117.9506 53.1599 41.8727 174.7462 74 L 4.4540 8.7920 124.3591 55.5195 43.1031 177.0157 75 T 4.1204 7.9541 109.1227 61.1339 70.1470 173.8461 76 R 3.6997 9.1432 117.7316 57.4444 27.1643 176.4763 77 A 3.3571 8.1435 110.6022 53.2778 16.4313 177.3957 78 A 4.3556 7.4052 117.3830 53.9798 16.7818 178.4808 79 R 4.7487 7.4224 116.9794 55.6209 31.8299 175.6475 80 P 4.7764 0.0000 0.0000 63.0233 33.2097 174.0476 81 Y 5.0295 7.7890 116.9414 55.1803 41.8861 173.8298 82 A 5.1707 8.5137 119.3586 50.3529 23.0976 175.1092 83 F 5.0132 9.1330 117.5544 55.7198 42.8524 174.5190 84 I 5.1572 8.5062 121.1984 59.8530 39.5909 174.7595 85 E 4.6797 9.2293 125.1921 53.9989 34.3361 174.7766 86 N 4.1460 8.2372 116.2854 54.4374 36.5835 175.3570 87 V 4.5675 7.6417 116.5683 62.4960 33.0993 176.3575 88 V 4.7476 8.8960 126.8840 60.4455 35.1188 174.1499 89 T 4.9547 8.3527 111.8641 60.2054 72.6484 172.3514 90 L 4.6958 8.1785 122.5522 53.6189 44.1936 178.7737 91 E 3.8026 8.2811 118.8695 58.5224 29.9952 177.4510 92 A 4.7912 7.8428 118.6725 51.7504 20.8807 176.6731 93 R 4.6740 7.8190 114.8047 55.3766 31.1261 175.3473 94 R 3.9781 7.7652 119.0519 57.9778 30.2228 176.6057 95 G 3.8900 8.8030 112.3298 46.4876 0.0000 174.1263 96 R 4.0877 7.7871 117.8863 55.7528 30.9014 177.6978 97 G 3.9887 8.0916 106.4419 45.3266 0.0000 174.9704 98 Y 4.3751 7.8053 117.9338 60.9328 37.8158 178.2716 99 G 3.7166 8.2208 106.2257 47.9884 0.0000 175.4069 100 R 4.0638 8.3796 121.1226 59.3614 30.1230 178.4445 101 T 3.9060 8.3166 115.9153 66.7631 68.5450 177.0246 102 V 3.7104 7.9625 121.0674 64.6735 31.4481 178.6659 103 V 3.7341 8.2478 119.0316 65.9739 31.4087 178.2787 104 R 3.8159 8.3041 118.1331 59.3858 29.7632 178.5539 105 H 3.9308 8.3644 117.8766 59.0770 29.8131 177.1815 106 A 3.7971 7.8668 122.5222 55.0534 18.1695 179.5800 107 I 3.2478 7.7584 118.3641 64.5999 37.0860 178.5815 108 E 3.9610 8.2249 119.5338 59.6082 29.1327 179.6261 109 T 3.7817 8.0555 116.0449 66.3363 68.4788 176.5682 110 A 3.9428 7.9636 122.6813 55.3574 18.4660 179.7657 111 F 4.7013 8.1197 116.5122 60.7566 38.7139 178.1878 112 G 3.7382 8.4439 104.6015 47.1102 0.0000 174.5229 113 A 4.4564 7.4591 120.5395 51.4055 18.8247 176.6203 114 N 4.3387 8.1115 115.2849 55.0357 37.9101 174.0751 115 C 4.6700 8.0731 114.4024 59.4668 28.5686 173.8703 116 Y 4.4734 8.6574 122.9259 58.8585 38.5817 175.6596 117 K 4.6882 7.1376 118.0314 55.3519 35.4264 174.6213 118 V 5.0340 7.7815 118.0640 59.6412 34.7728 174.2494 *120 L 3.9987 8.0984 122.5614 54.5503 42.5241 175.4998 121 L 4.6301 8.2348 124.3209 53.0095 44.2543 175.7719 122 T 4.5970 8.2764 116.9862 60.3336 70.1611 173.4440 123 G 4.0497 8.5118 114.4020 45.1282 0.0000 173.6698 124 R 4.0550 7.5827 120.4567 56.0540 30.3530 176.9322 125 H 4.2666 8.5757 118.3917 57.6750 29.3682 174.8789 126 D 4.5175 7.5476 121.0122 52.7003 41.3727 174.8699 127 P 4.1725 0.0000 0.0000 65.4727 31.2446 178.4360 128 A 3.9957 8.5565 120.1507 54.8958 18.2191 179.8356 129 V 3.5235 7.6995 116.5620 66.4278 31.6184 178.0052 130 H 4.3876 8.3256 115.2842 58.9961 28.6327 177.4381 131 A 4.2307 8.3809 122.7604 55.0452 17.9354 179.3831 132 F 4.0815 8.0488 118.3111 61.8385 39.8435 176.7177 133 Y 4.2082 7.8800 116.2186 61.0698 37.5809 178.3824 134 E 4.7767 8.6830 121.2466 58.9394 29.3717 179.3894 135 S 4.1994 7.9747 112.9666 60.7368 63.1830 175.3547 136 C 4.2688 7.4174 118.7411 59.7746 28.2922 174.1598 137 G 3.9931 7.9469 108.6228 45.0681 0.0000 174.5005 138 F 4.3507 7.9985 118.7736 57.3844 39.6543 174.1254 139 V 4.6530 8.2600 122.9239 61.2763 33.6399 176.3346 140 Q 4.3393 8.4632 128.9869 54.8829 27.2372 174.4580 141 N 5.0989 8.0731 113.8373 51.5707 38.5804 175.0398 142 K 4.7091 7.8876 116.0502 55.3500 36.0328 175.4114 143 T 4.4651 8.4846 117.4811 61.7371 70.3813 174.4678 144 G 4.0361 8.2625 115.2514 44.3067 0.0000 172.8603 145 F 4.8089 8.3862 119.7880 55.5657 42.8232 174.2340 146 Q 4.6240 8.4755 122.9877 54.7072 31.9793 173.5537 147 I 4.6347 8.2135 123.1448 59.1688 40.9380 174.5238 148 R 4.8059 8.4469 124.7538 54.3244 33.5226 174.6211 149 Q 4.6352 8.1131 116.0749 54.0360 31.8466 174.9614 150 D 4.5210 8.7332 117.5185 54.9837 40.8005 176.6362 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 4 D 8.36 4.55 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.37 4.10 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 6 I 7.88 5.05 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 1.08 0.00 0.00 7 S 9.03 4.78 0.00 3.86 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 8 L 8.21 5.24 0.00 1.62 1.44 0.89 0.63 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 9 R 8.80 4.77 0.00 1.97 2.02 0.00 2.86 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 10 A 8.73 4.58 1.17 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 0.00 0.00 0.00 11 A 9.07 4.41 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 12 G 9.54 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 13 P 0.00 4.31 0.00 2.24 2.17 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 2.14 2.14 0.00 14 G 7.98 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 15 D 8.36 4.54 0.00 2.96 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 16 L 7.21 3.23 0.00 1.03 1.41 0.29 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.23 0.00 2.12 2.03 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 18 G 7.87 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.62 0.00 1.55 1.34 0.88 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.96 4.02 0.00 1.76 1.70 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.04 3.93 0.00 2.10 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 2.28 2.54 0.00 22 L 7.57 3.91 0.00 1.48 1.53 0.76 0.58 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 23 Y 7.89 4.47 0.00 2.98 2.87 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 24 Q 8.36 4.08 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 25 V 7.45 3.59 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 0.83 0.00 0.00 0.96 0.00 0.00 26 L 7.89 4.33 0.00 1.78 2.03 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.04 4.95 0.00 2.89 2.70 0.00 0.00 6.87 8.01 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 28 P 0.00 4.49 0.00 2.18 2.20 0.00 3.37 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 1.99 1.93 0.00 29 S 7.87 4.48 0.00 4.00 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 30 D 7.78 4.54 0.00 2.91 2.65 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 31 P 0.00 4.34 0.00 2.17 2.05 0.00 3.75 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 1.99 1.99 0.00 32 E 8.36 4.33 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 33 L 8.09 4.28 0.00 1.64 1.61 0.93 1.01 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 34 T 8.83 4.29 4.35 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 1.21 0.00 0.00 35 T 8.37 3.84 4.22 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 1.17 0.00 0.00 36 Q 7.96 4.15 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 37 E 8.17 3.99 0.00 2.17 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 2.33 0.00 38 A 8.12 4.54 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.89 3.63 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 0.00 0.00 0.00 40 A 7.94 4.00 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 41 V 7.72 3.56 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 0.90 0.00 0.00 0.95 0.00 0.00 42 F 8.29 4.49 0.00 3.07 3.27 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 43 A 8.33 3.99 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 44 A 7.79 3.75 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 *46 L 7.95 3.91 0.00 1.53 1.55 0.38 0.48 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 47 A 7.58 4.12 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 48 Q 7.64 4.05 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 49 P 0.00 4.34 0.00 2.06 1.98 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 50 G 8.99 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 51 L 7.54 5.13 0.00 1.67 1.68 0.91 0.86 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 52 T 8.72 4.45 3.78 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 0.24 0.00 0.00 53 I 8.13 4.52 1.92 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 1.03 0.00 0.00 54 F 9.24 5.37 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 9.04 5.03 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 0.68 0.00 0.00 1.03 0.00 0.00 56 A 8.74 5.16 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 57 T 8.96 4.93 4.08 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 0.00 0.00 0.00 1.18 0.00 0.00 58 E 8.76 4.89 0.00 1.64 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 0.00 2.20 2.36 0.00 59 N 10.30 4.30 0.00 2.80 2.84 0.00 0.00 7.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.42 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 61 K 7.74 4.15 0.00 1.75 1.71 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.34 7.81 62 P 0.00 4.65 0.00 1.96 1.90 0.00 3.59 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 1.94 2.05 0.00 63 V 8.56 4.39 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 0.51 0.00 0.00 0.00 0.00 0.00 64 A 7.59 4.90 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 65 T 8.79 5.28 4.20 0.00 0.00 0.00 0.00 0.00 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 66 A 9.02 5.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 9.21 5.04 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 68 L 9.20 5.13 0.00 1.99 1.69 1.03 0.69 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 69 L 9.12 5.10 0.00 1.79 1.64 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.79 4.73 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 1.10 0.56 0.86 0.00 0.00 71 V 8.28 4.39 0.90 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 0.87 0.00 0.00 0.95 0.00 0.00 72 P 0.00 4.64 0.00 2.10 2.01 0.00 3.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 73 N 8.48 4.99 0.00 2.94 3.01 0.00 0.00 7.00 6.66 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 74 L 8.79 4.45 0.00 1.71 1.72 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.95 4.12 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 1.25 0.00 0.00 76 R 9.14 3.70 0.00 1.22 1.37 0.00 3.13 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 77 A 8.14 3.36 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 78 A 7.41 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.42 4.75 0.00 1.98 2.20 0.00 3.18 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 80 P 0.00 4.78 0.00 2.05 2.15 0.00 3.88 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 2.19 2.06 0.00 81 Y 7.79 5.03 0.00 2.59 2.61 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 82 A 8.51 5.17 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 F 9.13 5.01 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.51 5.16 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 1.13 0.00 0.00 85 E 9.23 4.68 0.00 1.84 1.79 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 2.21 2.35 0.00 86 N 8.24 4.15 0.00 2.88 2.89 0.00 0.00 6.91 7.81 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 87 V 7.64 4.57 2.39 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 1.05 0.00 0.00 1.21 0.00 0.00 88 V 8.90 4.75 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 0.81 0.00 0.00 1.02 0.00 0.00 89 T 8.35 4.95 4.19 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 1.11 0.00 0.00 90 L 8.18 4.70 0.00 1.71 1.57 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.28 3.80 0.00 1.90 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 2.32 1.94 0.00 92 A 7.84 4.79 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 93 R 7.82 4.67 0.00 1.94 2.11 0.00 3.57 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 94 R 7.77 3.98 0.00 1.90 1.85 0.00 3.31 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 95 G 8.80 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 0.00 0.00 0.00 96 R 7.79 4.09 0.00 1.58 1.57 0.00 3.22 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 97 G 8.09 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 98 Y 7.81 4.38 0.00 3.03 2.92 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 99 G 8.22 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 0.00 100 R 8.38 4.06 0.00 2.14 2.18 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 101 T 8.32 3.91 4.51 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 1.25 0.00 0.00 102 V 7.96 3.71 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.13 0.00 0.00 103 V 8.25 3.73 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.42 0.00 0.00 104 R 8.30 3.82 0.00 1.98 1.92 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 105 H 8.36 3.93 0.00 3.22 3.19 0.00 5.79 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 0.00 106 A 7.87 3.80 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 0.00 107 I 7.76 3.25 1.79 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.37 0.00 0.00 108 E 8.22 3.96 0.00 1.97 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 2.34 2.40 0.00 109 T 8.06 3.78 4.31 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 1.36 0.00 0.00 110 A 7.96 3.94 1.18 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 0.00 111 F 8.12 4.70 0.00 3.02 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 0.00 112 G 8.44 3.74 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 0.00 0.00 0.00 113 A 7.46 4.46 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 0.00 114 N 8.11 4.34 0.00 2.91 2.99 0.00 0.00 7.12 6.97 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 0.00 115 C 8.07 4.67 0.00 3.20 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 0.00 116 Y 8.66 4.47 0.00 3.11 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 0.00 117 K 7.14 4.69 0.00 1.79 1.70 0.00 1.23 0.00 0.00 1.60 0.00 0.00 2.38 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 1.03 7.81 118 V 7.78 5.03 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 1.14 0.00 0.00 0.41 0.00 0.00 *120 L 8.10 4.00 0.00 1.09 0.49 0.44 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.23 4.63 0.00 1.57 1.47 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.28 4.60 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 1.21 0.00 0.00 123 G 8.51 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 0.00 124 R 7.58 4.05 0.00 1.86 1.81 0.00 3.35 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 125 H 8.58 4.27 0.00 3.27 3.45 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.55 4.52 0.00 2.53 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 0.00 127 P 0.00 4.17 0.00 2.18 2.08 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 128 A 8.56 4.00 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 0.00 129 V 7.70 3.52 2.30 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 1.18 0.00 0.00 0.88 0.00 0.00 130 H 8.33 4.39 0.00 3.42 3.39 0.00 5.70 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 0.00 131 A 8.38 4.23 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 0.00 132 F 8.05 4.08 0.00 2.90 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 0.00 133 Y 7.88 4.21 0.00 3.22 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 0.00 134 E 8.68 4.78 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 135 S 7.97 4.20 0.00 4.00 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 0.00 136 C 7.42 4.27 0.00 3.22 2.92 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 0.00 137 G 7.95 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 0.00 138 F 8.00 4.35 0.00 3.24 2.92 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 0.00 139 V 8.26 4.65 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 0.83 0.00 0.00 0.97 0.00 0.00 140 Q 8.46 4.34 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.10 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 141 N 8.07 5.10 0.00 2.82 2.84 0.00 0.00 6.12 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 0.00 142 K 7.89 4.71 0.00 1.70 1.71 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.38 7.81 143 T 8.48 4.47 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 0.95 0.00 0.00 144 G 8.26 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 0.00 145 F 8.39 4.81 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.48 4.62 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 147 I 8.21 4.63 1.89 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 1.42 1.08 0.92 0.00 0.00 148 R 8.45 4.81 0.00 1.79 1.77 0.00 3.35 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 149 Q 8.11 4.64 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.04 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 150 D 8.73 4.52 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.