NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.3259 8.2033 121.9771 55.9915 31.7610 176.9839 0 L 4.7605 9.1018 111.0710 52.2354 44.1734 171.5342 1 V 3.7417 8.9201 122.8904 63.5353 31.9048 175.5125 2 K 4.3573 8.9711 126.7439 56.9870 34.6168 175.6379 3 K 4.7787 8.0744 121.6202 54.7310 34.4339 174.9127 4 V 4.9363 8.8014 128.4056 61.0542 34.2814 173.8846 5 L 5.1087 8.7629 129.3088 53.3386 44.3662 174.5239 6 L 5.0871 9.3685 129.3668 53.9945 43.6142 174.9076 7 I 5.1659 9.1210 127.7995 59.6429 40.3550 174.4095 8 N 5.4006 9.2385 123.6482 51.7630 41.7831 174.8181 9 G 4.3034 8.7398 115.1627 43.9449 0.0000 171.5456 10 P 4.4315 0.0000 0.0000 64.2139 31.9023 177.0999 11 N 4.6329 9.5675 117.7579 54.0625 38.5113 176.8801 12 L 4.1338 7.7448 118.2186 57.4883 41.8392 178.8788 13 N 4.1241 8.2084 115.0257 55.6857 37.0878 175.2534 14 L 4.4132 8.3138 117.9664 54.3325 42.3094 176.0696 15 L 4.4814 8.0898 121.3237 55.1791 41.2339 176.4615 16 G 3.8484 8.2787 110.0321 44.2114 0.0000 172.0278 17 T 4.3156 8.5066 120.5428 63.5288 69.4822 176.1553 18 R 4.0751 7.8009 121.3252 58.4769 30.7034 176.4733 *23 Y 4.5547 7.6826 115.4026 56.6615 40.4034 174.4004 24 G 4.0345 7.4875 107.2702 43.9120 0.0000 174.7498 25 T 3.9364 8.3396 108.8232 62.8587 68.5960 174.2518 26 T 4.1010 8.0227 120.7026 63.8736 69.0318 174.8867 27 S 5.1319 8.6798 123.0623 55.6036 66.5110 175.0850 28 L 3.8227 8.2063 122.7915 58.4515 41.6593 178.5883 29 S 4.0222 8.0536 112.3758 61.5287 62.2115 175.4810 30 D 4.3446 7.8599 121.2606 57.7230 40.7765 178.9225 31 I 3.6017 7.5158 119.5907 64.3792 37.0132 178.3898 32 E 3.8587 8.3003 119.4538 59.6581 29.3683 179.4757 33 Q 3.9772 8.3815 118.1144 58.7871 28.6910 178.8441 34 A 3.9663 8.1555 121.6666 55.0980 18.3128 179.6317 35 A 3.9437 7.8611 118.8517 55.2612 18.5517 179.7428 36 I 3.6581 7.8605 118.4094 64.8592 37.1960 178.5781 37 E 4.0175 8.2642 119.2063 59.0831 28.9192 178.9903 38 Q 3.9526 8.0468 119.6761 59.2095 29.0207 178.5179 39 A 4.0022 7.8958 121.4293 55.2878 18.5374 179.5254 40 K 3.9184 7.8358 116.8850 59.8643 31.9895 178.9248 41 L 4.0096 8.1420 119.0850 58.1017 41.9609 178.8530 42 K 4.0077 7.9836 117.8815 57.0432 32.0786 176.3009 43 N 4.3363 8.3153 116.0934 54.4511 37.4968 173.5910 44 N 5.0171 7.8557 110.5573 52.6958 37.8635 173.2434 45 D 4.3686 8.3471 114.0654 56.5628 38.7396 174.2147 46 S 4.7848 7.5103 111.4886 58.5077 64.4912 174.3181 47 E 4.7060 8.9245 121.4150 55.0414 33.3617 173.7131 48 V 4.8177 8.4542 126.1259 61.2632 33.5515 174.6492 49 L 4.8323 9.0806 127.9876 53.5324 44.1018 175.9186 50 V 5.1361 8.2035 113.3580 59.9727 35.6218 174.7988 51 F 5.0197 9.1010 124.1958 57.1468 43.1564 172.8498 52 Q 5.2354 7.4735 124.4046 54.0412 32.0963 173.4844 53 S 4.5754 8.2861 117.6063 57.8180 65.0908 173.6922 54 N 4.6919 8.9543 120.1279 53.7681 39.5389 175.7096 55 T 4.3951 7.6533 116.3949 61.8518 70.0795 174.0060 56 E 3.8163 8.8889 127.2027 59.6835 29.4384 178.8771 57 G 3.7566 7.9020 104.5624 48.2724 0.0000 175.2208 58 F 4.7466 8.0020 119.3203 60.3769 38.9055 177.6279 59 I 4.0866 7.7025 119.6392 63.9938 36.9843 178.3774 60 I 3.5810 8.0753 121.1097 64.6085 37.0268 178.0003 61 D 4.2535 8.6801 119.9593 57.5322 40.5514 179.1772 62 R 3.6059 7.7606 119.0526 59.1059 29.9754 178.4565 63 I 3.6183 7.7254 119.7318 64.6878 37.1130 177.9251 64 H 4.1499 8.0542 116.7799 59.0423 28.5866 177.1047 65 E 3.8587 8.1690 120.6732 59.4396 29.2897 178.6992 66 A 4.1781 8.0301 121.8166 54.4476 18.3826 179.2110 67 K 3.7705 7.7766 117.4203 60.1057 32.0101 179.0330 68 R 3.8994 7.7851 116.4248 59.1525 29.7689 178.3369 69 Q 4.3024 8.3378 116.4091 55.7131 28.6858 177.2699 70 G 3.8727 7.9809 108.1401 45.7963 0.0000 173.9315 71 V 3.6668 7.6479 119.0330 63.6821 31.5856 176.0640 72 G 4.2052 8.6888 112.9190 46.2760 0.0000 172.9133 73 F 4.9151 7.9103 121.5898 56.9004 43.1363 172.6195 74 V 5.0536 8.5330 124.2516 61.0998 34.7652 174.2556 75 V 4.9592 9.0324 127.4089 61.2531 33.9533 173.9681 76 I 5.1832 9.0262 128.1305 59.2378 41.5348 173.2859 77 N 5.2913 9.6052 127.9654 51.0375 40.7068 174.4530 78 A 4.3835 8.8896 128.9415 51.7854 20.2733 178.2789 79 G 3.7446 8.4236 106.7809 45.6447 0.0000 176.3357 80 A 4.1438 8.6022 121.9590 55.6657 17.9785 178.9567 81 Y 4.5726 7.6514 114.2748 61.3547 37.8331 178.7236 82 T 3.9327 8.1106 117.1215 66.7018 68.3074 175.2802 83 H 5.2014 8.6245 117.3580 55.8063 29.3772 175.7559 84 T 4.7523 7.9079 107.3635 60.7154 70.1331 173.9958 85 S 4.4868 8.2944 118.4872 56.3031 61.8337 174.1169 86 V 3.3320 7.6167 127.0597 65.1442 31.2565 177.4669 87 G 3.5273 7.8064 105.1707 47.7922 0.0000 175.4781 88 I 3.5967 8.0697 122.9078 63.9076 37.0496 178.2971 89 R 3.7783 7.5466 119.5449 59.8498 29.8833 178.3290 90 D 4.3034 8.5373 118.5263 56.8560 40.6827 178.6561 91 A 3.9760 8.0382 121.6547 55.2249 17.9259 179.6457 92 L 3.8703 7.8222 117.4162 57.8806 41.6932 179.8002 93 L 4.1686 8.2812 119.3077 57.7674 41.3484 179.7801 94 G 3.6353 8.3230 105.1106 47.6505 0.0000 175.0227 95 T 4.2167 8.0175 108.9869 60.5671 69.4729 174.4758 96 A 3.7419 7.5472 123.3658 53.2633 16.7680 176.9991 97 I 4.2157 7.2481 119.6190 60.8479 38.3430 174.6901 98 P 4.4033 0.0000 0.0000 62.9740 32.4626 175.0878 99 F 5.7529 7.4481 114.8258 55.3724 42.0595 172.7700 100 I 4.9251 8.4990 118.7791 59.5408 41.2989 173.9859 101 E 4.9521 8.9748 127.8163 55.0097 30.7825 174.6619 102 V 4.7905 8.7410 127.3476 61.3338 34.7053 173.8258 103 H 4.9664 8.6626 123.7450 53.9260 31.7432 174.9200 104 I 3.8817 8.6784 123.7394 63.6307 38.1856 175.8740 105 T 4.8386 7.7456 109.5171 59.3966 71.6778 173.3242 106 N 4.5950 8.2779 120.1311 52.0387 37.9405 175.3333 107 V 3.6576 8.1504 120.2256 64.5536 31.8115 178.4785 108 H 4.1406 7.8515 114.9338 57.8680 28.6411 175.9186 109 Q 4.2781 8.1919 117.5235 56.3611 29.1163 175.4973 110 R 4.7729 7.4095 118.0604 54.1152 32.9094 175.2447 111 E 3.8945 8.2232 117.1659 56.7428 30.0113 176.3726 112 P 3.7157 0.0000 0.0000 65.5426 30.8699 178.9144 113 F 4.2465 7.8827 112.6659 59.4062 37.6046 176.7295 114 R 3.7047 6.9684 116.9510 57.2900 30.1139 177.3405 115 H 4.5051 7.9045 115.8647 56.1591 29.6698 175.0046 116 Q 4.5111 7.4014 120.5945 54.3232 30.0112 174.6382 117 S 4.9900 8.1937 115.7729 56.8127 65.3047 173.2754 118 Y 4.5176 9.0848 123.4331 58.8713 38.3868 176.3409 119 L 4.6564 8.5332 120.9670 56.8886 43.2467 178.9716 120 S 4.1236 8.0153 115.0081 61.7760 62.8222 176.4524 121 D 4.5034 8.0923 117.0775 54.7532 39.7099 176.9132 122 K 4.2995 8.2039 118.0876 56.7297 33.0901 176.8716 123 A 2.5961 7.0688 121.0179 51.2751 18.7323 177.6075 124 V 3.7313 7.7397 120.9394 65.3994 31.6789 175.9870 125 A 4.8833 7.6353 119.7432 49.8478 23.4392 174.1083 126 V 4.8142 8.1479 117.5669 60.1593 34.0051 175.0392 127 I 4.5569 8.4203 127.0110 59.4549 39.1180 174.6037 128 C 5.1356 8.7030 121.2584 57.9244 32.3778 174.3229 129 G 3.9925 8.9089 109.8098 45.4531 0.0000 173.5325 130 L 4.3393 7.7295 119.8936 54.3773 42.9218 178.2931 131 G 3.9526 7.9030 106.1104 45.6943 0.0000 175.1200 132 V 3.9747 8.3856 110.7159 64.2956 32.1285 177.5519 133 Y 4.4958 8.5281 120.5970 60.4847 38.2948 178.1199 134 G 3.7813 7.9505 106.4641 48.1722 0.0000 174.9180 135 Y 4.1584 7.3977 119.0699 61.0381 37.8904 179.1644 136 T 4.1483 8.2026 116.9531 65.9692 68.4798 176.3098 137 A 3.7019 7.7377 122.6894 54.9346 18.2801 179.3131 138 A 3.8782 7.8989 119.2573 55.6314 18.3721 179.9483 139 I 3.6288 7.9512 118.1696 64.5546 36.9103 178.4219 140 E 3.9233 8.2215 118.8308 59.5455 29.5494 178.6081 141 Y 4.0278 7.7486 119.0391 60.3156 38.8596 177.0558 142 A 2.8723 8.0148 122.0753 55.0515 18.2391 179.4205 143 L 4.1077 7.8352 114.4350 56.3764 41.6248 177.6359 144 N 4.7911 7.5540 115.3896 52.8480 39.4608 173.3155 145 Y 4.3472 7.9181 121.6846 56.5187 40.3801 174.5844 146 Q 4.6073 7.8713 125.5235 55.0354 29.9825 175.9108 147 L 4.3402 8.8341 122.9508 55.2035 41.2721 177.0903 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 Q 8.20 4.33 0.00 2.12 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 0 L 9.10 4.76 0.00 1.64 1.56 0.94 0.59 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 1 V 8.92 3.74 2.36 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 0.84 0.00 0.00 1.28 0.00 0.00 2 K 8.97 4.36 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.38 7.81 3 K 8.07 4.78 0.00 1.87 1.70 0.00 1.59 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.48 7.81 4 V 8.80 4.94 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 0.94 0.00 0.00 0.96 0.00 0.00 5 L 8.76 5.11 0.00 1.84 1.55 1.03 0.30 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 6 L 9.37 5.09 0.00 1.83 1.69 1.14 0.95 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 7 I 9.12 5.17 1.97 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 1.39 0.76 1.09 0.00 0.00 8 N 9.24 5.40 0.00 2.66 2.68 0.00 0.00 6.59 7.74 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 9 G 8.74 4.30 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 0.00 10 P 0.00 4.43 0.00 2.02 1.89 0.00 3.28 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 11 N 9.57 4.63 0.00 2.88 3.03 0.00 0.00 7.16 6.32 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 12 L 7.74 4.13 0.00 1.86 1.75 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.21 4.12 0.00 2.77 3.14 0.00 0.00 6.01 7.79 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 14 L 8.31 4.41 0.00 1.74 1.72 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.09 4.48 0.00 1.84 1.81 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.28 3.85 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 0.00 17 T 8.51 4.32 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 1.20 0.00 0.00 18 R 7.80 4.08 0.00 1.80 2.01 0.00 3.31 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 *23 Y 7.68 4.55 0.00 3.05 3.06 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 0.00 0.00 0.00 24 G 7.49 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 25 T 8.34 3.94 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 1.14 0.00 0.00 26 T 8.02 4.10 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 27 S 8.68 5.13 0.00 4.02 3.96 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 28 L 8.21 3.82 0.00 1.73 1.67 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.05 4.02 0.00 3.89 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 30 D 7.86 4.34 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 31 I 7.52 3.60 1.78 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 1.44 1.07 0.08 0.00 0.00 32 E 8.30 3.86 0.00 2.10 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 2.24 2.50 0.00 33 Q 8.38 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 34 A 8.16 3.97 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 35 A 7.86 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.86 3.66 2.01 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 1.66 0.99 0.92 0.00 0.00 37 E 8.26 4.02 0.00 2.24 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 2.44 2.46 0.00 38 Q 8.05 3.95 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 39 A 7.90 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 40 K 7.84 3.92 0.00 1.97 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.72 7.81 41 L 8.14 4.01 0.00 1.78 1.72 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.98 4.01 0.00 1.93 1.86 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.79 1.59 7.81 43 N 8.32 4.34 0.00 3.03 2.91 0.00 0.00 6.96 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 44 N 7.86 5.02 0.00 2.80 2.80 0.00 0.00 6.44 8.06 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 45 D 8.35 4.37 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.51 4.78 0.00 3.81 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 47 E 8.92 4.71 0.00 2.03 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 2.23 2.27 0.00 48 V 8.45 4.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.00 0.00 0.00 49 L 9.08 4.83 0.00 1.63 1.58 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.20 5.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.98 0.00 0.00 51 F 9.10 5.02 0.00 3.04 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 52 Q 7.47 5.24 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.05 0.00 53 S 8.29 4.58 0.00 3.79 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 54 N 8.95 4.69 0.00 2.75 2.83 0.00 0.00 6.91 7.54 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 55 T 7.65 4.40 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 56 E 8.89 3.82 0.00 1.38 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 2.08 1.68 0.00 57 G 7.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.75 0.00 3.32 3.21 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 59 I 7.70 4.09 2.07 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 1.90 1.09 1.03 0.00 0.00 60 I 8.08 3.58 1.94 0.00 0.00 0.76 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 0.80 0.77 0.00 0.00 61 D 8.68 4.25 0.00 2.76 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 62 R 7.76 3.61 0.00 0.92 1.29 0.00 2.72 0.00 0.00 2.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.33 0.00 63 I 7.73 3.62 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.89 0.00 0.00 64 H 8.05 4.15 0.00 3.27 3.30 0.00 5.66 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 65 E 8.17 3.86 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 66 A 8.03 4.18 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 67 K 7.78 3.77 0.00 1.88 1.99 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 68 R 7.79 3.90 0.00 1.99 1.98 0.00 3.20 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 69 Q 8.34 4.30 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.89 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 70 G 7.98 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 71 V 7.65 3.67 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 0.88 0.00 0.00 0.95 0.00 0.00 72 G 8.69 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 0.00 0.00 0.00 0.00 73 F 7.91 4.92 0.00 3.05 2.81 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 74 V 8.53 5.05 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 0.95 0.00 0.00 75 V 9.03 4.96 2.24 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 0.98 0.00 0.00 1.08 0.00 0.00 76 I 9.03 5.18 1.92 0.00 0.00 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 1.15 1.80 1.03 0.00 0.00 77 N 9.61 5.29 0.00 2.79 2.85 0.00 0.00 6.97 9.11 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 78 A 8.89 4.38 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 79 G 8.42 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 80 A 8.60 4.14 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 81 Y 7.65 4.57 0.00 3.19 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 82 T 8.11 3.93 3.96 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 1.32 0.00 0.00 83 H 8.62 5.20 0.00 3.41 3.52 0.00 5.58 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 84 T 7.91 4.75 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 1.40 0.00 0.00 85 S 8.29 4.49 0.00 3.64 3.85 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 86 V 7.62 3.33 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 0.84 0.00 0.00 0.06 0.00 0.00 87 G 7.81 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 88 I 8.07 3.60 1.81 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 1.36 0.73 0.81 0.00 0.00 89 R 7.55 3.78 0.00 2.02 2.07 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 90 D 8.54 4.30 0.00 2.93 2.66 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 91 A 8.04 3.98 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 92 L 7.82 3.87 0.00 1.49 1.63 -0.33 0.24 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 93 L 8.28 4.17 0.00 1.68 1.74 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.32 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 95 T 8.02 4.22 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 1.20 0.00 0.00 96 A 7.55 3.74 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 97 I 7.25 4.22 1.86 0.00 0.00 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 1.35 0.61 0.86 0.00 0.00 98 P 0.00 4.40 0.00 1.09 1.97 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.00 99 F 7.45 5.75 0.00 3.11 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 0.00 100 I 8.50 4.93 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.91 0.00 0.00 101 E 8.97 4.95 0.00 2.22 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 2.21 2.31 0.00 102 V 8.74 4.79 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 0.12 0.00 0.00 0.76 0.00 0.00 103 H 8.66 4.97 0.00 3.04 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.68 3.88 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.99 0.00 0.00 105 T 7.75 4.84 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 1.24 0.00 0.00 106 N 8.28 4.59 0.00 2.77 2.76 0.00 0.00 6.86 7.71 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 0.00 107 V 8.15 3.66 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 0.41 0.00 0.00 0.58 0.00 0.00 108 H 7.85 4.14 0.00 3.10 3.24 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.19 4.28 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 110 R 7.41 4.77 0.00 1.82 1.69 0.00 3.13 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 111 E 8.22 3.89 0.00 1.20 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 112 P 0.00 3.72 0.00 2.12 2.08 0.00 3.52 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 113 F 7.88 4.25 0.00 3.19 3.28 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 0.00 114 R 6.97 3.70 0.00 1.49 1.72 0.00 2.91 0.00 0.00 3.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 115 H 7.90 4.51 0.00 3.16 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.40 4.51 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 117 S 8.19 4.99 0.00 3.82 3.70 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 0.00 118 Y 9.08 4.52 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.53 4.66 0.00 2.07 2.08 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.02 4.12 0.00 3.87 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 0.00 121 D 8.09 4.50 0.00 2.81 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 0.00 122 K 8.20 4.30 0.00 2.02 2.07 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.63 7.81 123 A 7.07 2.60 1.11 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 0.00 124 V 7.74 3.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.81 0.00 0.00 125 A 7.64 4.88 0.97 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 0.00 0.00 126 V 8.15 4.81 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 0.77 0.00 0.00 0.97 0.00 0.00 127 I 8.42 4.56 1.75 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 1.17 0.78 0.81 0.00 0.00 128 C 8.70 5.14 0.00 3.09 2.90 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 0.00 0.00 0.00 129 G 8.91 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 0.00 130 L 7.73 4.34 0.00 1.60 1.67 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.90 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 0.00 132 V 8.39 3.97 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 0.95 0.00 0.00 1.03 0.00 0.00 133 Y 8.53 4.50 0.00 3.01 3.31 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 0.00 134 G 7.95 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 0.00 0.00 0.00 0.00 135 Y 7.40 4.16 0.00 3.22 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 0.00 136 T 8.20 4.15 4.37 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 1.35 0.00 0.00 137 A 7.74 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.90 3.88 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 0.00 139 I 7.95 3.63 2.05 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 1.57 0.70 0.95 0.00 0.00 140 E 8.22 3.92 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 141 Y 7.75 4.03 0.00 2.93 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 0.00 142 A 8.01 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.84 4.11 0.00 1.66 1.71 0.92 1.35 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 0.00 144 N 7.55 4.79 0.00 2.58 2.63 0.00 0.00 6.83 7.06 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 0.00 145 Y 7.92 4.35 0.00 2.92 2.84 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 0.00 146 Q 7.87 4.61 0.00 1.71 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 147 L 8.83 4.34 0.00 1.59 1.63 1.01 0.95 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 * Residues marked with a * may have inaccurate shift predictions.