NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4951 8.1633 120.6170 55.3474 34.0132 174.0937 2 K 4.7395 8.5463 125.5441 55.6166 34.0220 170.8823 3 V 5.0065 9.5708 117.2777 60.1293 37.5343 173.4706 4 I 5.5807 9.0434 123.8646 58.9986 39.4775 175.8840 5 L 4.5817 8.5553 126.7657 54.8929 42.5698 177.3479 6 L 4.5715 8.3720 119.5601 54.9512 44.3976 176.7049 7 E 4.8019 7.9865 118.6768 53.0575 31.7526 174.1703 8 P 4.4886 0.0000 0.0000 63.6211 31.8430 175.3862 9 L 4.9408 8.1877 120.2967 52.8698 46.4575 175.5602 10 E 4.0303 8.7357 122.3559 57.3206 30.2452 176.5405 11 N 4.5808 10.2787 123.4205 53.4775 38.2899 174.0855 12 L 4.4064 7.1521 112.4603 55.5858 42.1474 173.1402 13 G 4.2625 8.0891 119.1134 44.9306 0.0000 167.7002 14 D 4.1527 8.9594 126.1695 54.1445 40.0693 173.8117 15 V 3.7011 8.5627 117.0868 63.4061 31.4984 177.0591 16 G 3.7393 7.2501 106.3314 46.9699 0.0000 173.8914 17 Q 4.5783 7.7027 123.1905 54.1040 32.4941 174.4358 18 V 5.4658 8.4659 121.6217 59.6787 31.7927 174.5768 19 V 4.5758 8.0242 125.1721 59.5228 34.7426 174.4635 20 D 5.8500 8.3972 120.2559 51.6349 41.5115 175.5874 21 V 4.6728 7.9963 111.9929 59.6940 36.7048 174.8219 22 K 4.2174 8.9022 121.1236 56.1425 32.9170 177.0600 23 P 4.2119 0.0000 0.0000 65.5840 31.2104 177.8399 24 G 3.7911 7.9557 104.2031 48.3715 0.0000 174.1963 25 Y 4.2529 8.1617 120.2467 59.9126 38.6100 178.9387 26 A 4.0422 7.8925 120.0338 54.7666 19.3700 179.2314 27 R 4.1001 8.5716 115.6856 58.4257 30.2658 177.7573 28 N 5.0144 8.3621 115.4317 52.6395 38.9681 174.0789 29 Y 4.2939 6.9904 123.9089 58.2527 46.3048 174.5996 30 L 3.9186 8.2350 121.1927 56.4254 42.5560 178.1194 31 L 4.4925 7.7584 116.9971 55.9478 43.8061 176.7947 32 P 4.2827 0.0000 0.0000 65.8212 31.4900 178.1286 33 R 3.8020 7.7707 115.2441 60.1674 29.9414 177.4877 34 G 4.0487 7.2365 102.1794 45.4882 0.0000 174.6142 35 L 4.0043 7.9540 119.5361 55.9598 41.9472 175.7315 36 A 4.9037 7.1666 118.3329 51.7857 22.9212 175.3070 37 V 4.5881 8.5378 117.4472 61.1379 35.5965 174.1891 38 L 4.5062 8.4670 125.7784 54.6257 41.0136 177.9998 39 A 4.5272 8.2415 127.9784 52.2061 15.1038 177.3246 40 T 4.1556 7.5904 113.2891 60.3767 70.4243 175.3309 41 E 4.0217 8.8173 120.5732 61.1933 29.3703 180.4837 42 S 3.5294 7.5402 107.9946 60.9018 63.7971 176.1826 43 N 4.2793 8.8115 118.1563 57.6730 38.6524 177.3432 44 L 3.5372 8.6272 119.1477 58.0640 42.7950 178.2911 45 K 4.1816 8.8238 118.7255 58.2553 33.1440 178.9672 46 A 3.9279 7.7164 122.7328 55.5686 17.6770 178.7180 47 L 3.7350 8.4719 118.6065 59.2922 41.9949 179.2146 48 E 3.7360 8.1833 116.3879 59.5804 29.4731 179.9337 49 A 3.9201 7.8439 120.2066 54.9628 18.6360 179.4545 50 R 4.0881 9.3345 116.2283 58.4256 30.7540 178.6331 51 I 3.7384 7.6968 116.9506 63.2943 37.9813 176.6259 52 R 4.4011 8.2861 115.9718 57.8614 30.5027 177.9620 53 A 4.0470 7.8620 120.2937 54.4871 18.4264 179.0523 54 Q 4.0528 8.1386 118.1135 59.0796 29.4440 177.7847 55 A 3.9560 7.9153 121.0863 54.8213 17.2967 179.0895 56 K 4.0316 8.1424 118.0066 58.7619 32.1278 179.2228 57 R 3.9904 8.4493 119.0573 59.0904 30.3848 178.1458 58 L 3.9582 7.8439 119.4770 57.9477 41.8839 178.3389 59 A 3.9930 8.1053 120.5499 55.3588 18.2360 179.0795 60 E 3.9410 7.7172 118.3330 59.7384 29.4577 178.4396 61 R 4.2228 8.4752 119.0418 59.3539 30.2607 178.8173 62 K 3.3861 8.6789 114.3696 59.8594 32.2940 177.7920 63 A 4.1340 7.5779 123.9941 55.4001 18.8791 179.0307 64 E 4.0790 8.6388 117.6274 59.0912 29.7932 178.5845 65 A 4.1187 9.1976 121.9467 54.7011 18.4609 178.7810 66 E 4.2117 8.8908 117.5232 58.6160 29.6686 179.1054 67 R 4.2755 7.5045 120.7475 59.4693 30.0914 182.4063 68 L 4.5994 7.9206 118.3740 55.9637 42.3594 177.7674 69 K 4.1524 7.7364 121.8900 60.6538 32.1576 178.6814 70 E 4.1684 7.8906 110.0797 56.3475 29.3531 178.4634 71 I 4.3755 7.7093 122.2422 63.1075 40.2423 177.0112 72 L 4.3080 7.4696 117.9584 55.7291 41.2484 180.1573 73 E 4.4095 8.0846 113.9967 56.9501 29.8752 176.5124 74 N 5.0257 8.0236 119.4942 53.4386 38.2561 174.6276 75 L 4.9753 7.5022 120.9214 55.1346 44.1705 177.2494 76 T 4.7183 8.7485 101.5641 64.1739 74.7158 172.9672 77 L 3.6876 7.9231 117.0345 55.3468 37.3844 176.8888 78 T 4.8070 8.0716 120.1193 61.7692 69.9577 175.0386 79 I 4.3016 9.1725 130.5959 59.9062 38.3607 174.2832 80 P 4.3226 0.0000 0.0000 59.3048 30.9014 172.5713 81 V 3.4617 7.9627 123.5486 62.3885 33.3286 171.2548 82 R 4.2786 8.2545 126.3473 54.7710 30.7711 174.5624 83 A 4.3063 7.8324 127.6611 51.5597 21.5949 175.3929 84 G 3.9860 8.0932 104.5290 44.5285 0.0000 171.5563 85 E 4.1496 8.8102 129.7372 56.7087 30.9235 175.3126 86 T 5.0340 7.3283 105.2748 60.9261 67.9559 178.2592 87 K 4.2718 9.0234 119.7897 54.8004 31.8295 176.0809 88 I 4.6549 8.0435 121.0246 60.4046 38.3004 177.0412 89 Y 4.3558 8.8646 122.9621 60.0311 39.3977 176.9572 90 G 4.0205 7.8718 104.5121 44.4616 0.0000 176.8495 91 S 5.0065 8.1135 118.6556 58.0868 64.0868 176.6185 92 V 4.6731 7.5417 113.5916 60.0731 35.1732 174.7030 93 T 4.4558 10.4004 116.2911 60.2841 70.7568 172.8094 94 A 3.5004 8.3478 118.6050 57.3296 19.0569 180.3436 95 K 3.7679 8.6647 119.6516 59.2986 32.0952 180.4681 96 D 4.3637 7.4939 117.3614 57.1063 41.0345 178.4375 97 I 4.2406 8.5642 119.2525 61.9830 37.9037 177.8681 98 A 4.0418 7.8466 124.2486 55.7412 17.2162 179.8007 99 E 3.8897 8.9172 116.9104 60.7124 29.5236 181.1631 100 A 4.3064 7.8372 121.0112 55.9215 19.4683 179.4076 101 L 4.3744 8.3997 120.8769 58.0292 40.9149 180.7667 102 S 5.1080 8.6748 120.5552 61.4793 63.9994 180.9471 103 R 4.5158 7.2686 119.3441 60.7076 31.6297 182.4544 104 Q 4.3773 8.4530 121.5082 58.8315 29.3141 177.0794 *105 H 4.5654 8.2782 114.2858 57.8875 28.9468 181.2131 106 G 4.1997 7.3042 108.4724 46.2017 0.0000 175.6731 107 V 3.9328 7.7604 123.2720 61.1487 33.3152 174.3048 108 T 3.9207 8.8310 120.9107 61.5956 68.5679 170.9970 109 I 4.7906 8.1847 126.2665 57.6584 39.4576 171.4894 110 D 4.8185 9.2018 124.0184 50.9688 40.0801 173.9197 111 P 4.5548 0.0000 0.0000 61.5729 29.0344 175.1620 112 K 4.2244 7.0364 127.3763 55.1430 40.1887 177.7031 113 R 4.3189 7.0396 116.5196 55.4257 28.3972 178.6116 114 L 4.6766 9.4088 119.0887 54.0387 42.2126 176.9932 115 A 4.6400 7.5249 131.6035 52.6200 20.9840 177.5116 116 L 4.5693 8.0131 125.4561 55.5358 40.1120 176.0026 117 E 5.5000 7.8274 120.9009 55.6045 26.6739 177.3070 118 K 4.4500 7.2693 123.7832 51.0510 33.8575 176.9578 119 P 4.5795 0.0000 0.0000 62.5145 31.5703 176.7551 120 I 3.4865 8.6951 122.6665 65.0677 37.1163 179.4086 121 K 3.8116 7.8214 118.3579 54.5593 29.1320 177.0004 122 E 5.3250 7.8801 120.2806 55.9580 32.3575 175.2582 123 L 4.5169 8.0779 126.5824 55.7072 42.5689 176.9792 124 G 3.2356 8.3204 110.9914 46.6583 0.0000 173.4607 125 E 5.0243 8.1024 119.2441 55.3605 27.8261 173.7322 126 Y 4.8277 8.7277 123.9285 56.7942 40.7643 174.8655 127 V 4.9059 8.3800 120.0902 61.3711 34.5146 174.7857 128 L 5.1238 8.9413 128.8043 54.7201 45.7848 173.8796 129 T 5.1695 8.2438 112.3981 63.9040 72.3352 172.7572 130 Y 5.1162 9.1228 125.3353 59.0692 41.0136 169.7996 131 K 4.2784 7.9314 130.7268 53.2408 31.4409 174.9202 132 P 4.1407 0.0000 0.0000 65.1426 32.4268 177.8628 133 H 4.9021 7.5777 119.3489 55.9644 29.0246 173.6027 134 P 3.9957 0.0000 0.0000 61.3366 30.5621 175.2100 135 E 5.4315 8.8425 122.1238 54.5444 32.2302 175.9252 136 V 4.4222 8.1771 118.9861 59.0912 33.8529 173.1494 137 P 5.4143 0.0000 0.0000 62.0193 31.9078 175.5215 138 I 4.4051 8.4515 121.4588 59.9031 40.0516 175.2786 139 Q 4.8918 8.7636 128.8927 55.6444 29.3779 172.8413 140 L 5.3847 9.6278 129.7892 51.6431 45.1593 172.9111 141 K 4.9202 8.7525 128.1436 53.5277 34.6996 175.3304 142 V 4.1536 8.7461 127.1971 60.0050 31.2553 173.2196 143 S 4.3790 8.6711 123.0725 57.9345 63.4227 172.5385 144 V 4.1913 7.8844 110.0166 63.9062 33.4071 176.2124 145 V 3.0365 6.9205 116.2068 60.5974 33.0471 175.3271 *146 A 4.1219 8.4596 128.4456 52.5303 18.7144 176.2947 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.50 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 2 K 8.55 4.74 0.00 1.81 1.71 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.49 7.81 3 V 9.57 5.01 2.18 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 0.71 0.00 0.00 1.02 0.00 0.00 4 I 9.04 5.58 1.87 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 1.24 1.18 0.99 0.00 0.00 5 L 8.56 4.58 0.00 1.66 1.76 0.94 0.65 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 6 L 8.37 4.57 0.00 1.47 1.65 0.94 0.97 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 7 E 7.99 4.80 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 8 P 0.00 4.49 0.00 2.12 2.06 0.00 3.76 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 2.00 2.02 0.00 9 L 8.19 4.94 0.00 1.79 1.61 1.06 0.81 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 10 E 8.74 4.03 0.00 1.95 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 0.00 2.30 2.25 0.00 11 N 10.28 4.58 0.00 2.87 3.08 0.00 0.00 6.92 7.78 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 12 L 7.15 4.41 0.00 1.82 1.79 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.09 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 0.00 0.00 0.00 0.00 14 D 8.96 4.15 0.00 3.06 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 15 V 8.56 3.70 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 0.93 0.00 0.00 16 G 7.25 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 17 Q 7.70 4.58 0.00 2.60 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 18 V 8.47 5.47 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 0.92 0.00 0.00 0.94 0.00 0.00 19 V 8.02 4.58 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 0.82 0.00 0.00 0.96 0.00 0.00 20 D 8.40 5.85 0.00 2.74 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 21 V 8.00 4.67 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 0.86 0.00 0.00 1.01 0.00 0.00 22 K 8.90 4.22 0.00 1.86 1.75 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.46 7.81 23 P 0.00 4.21 0.00 2.21 2.10 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 24 G 7.96 3.79 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 25 Y 8.16 4.25 0.00 2.98 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 26 A 7.89 4.04 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 27 R 8.57 4.10 0.00 1.99 2.03 0.00 3.14 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 28 N 8.36 5.01 0.00 2.72 2.86 0.00 0.00 6.84 7.63 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 29 Y 6.99 4.29 0.00 2.94 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 30 L 8.23 3.92 0.00 1.55 1.57 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.76 4.49 0.00 2.11 1.61 0.90 1.01 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 32 P 0.00 4.28 0.00 1.97 2.09 0.00 3.74 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 2.08 2.10 0.00 33 R 7.77 3.80 0.00 1.53 1.74 0.00 2.21 0.00 0.00 2.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.30 0.00 34 G 7.24 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 35 L 7.95 4.00 0.00 1.58 1.65 0.60 0.84 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 36 A 7.17 4.90 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 37 V 8.54 4.59 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 0.95 0.00 0.00 0.91 0.00 0.00 38 L 8.47 4.51 0.00 1.67 1.67 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.24 4.53 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.59 4.16 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 1.29 0.00 0.00 41 E 8.82 4.02 0.00 1.99 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 2.41 2.35 0.00 42 S 7.54 3.53 0.00 3.90 3.67 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 43 N 8.81 4.28 0.00 2.80 2.84 0.00 0.00 6.83 6.45 0.00 0.00 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 L 8.63 3.54 0.00 1.66 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.82 4.18 0.00 2.03 2.04 0.00 1.38 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 46 A 7.72 3.93 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 47 L 8.47 3.74 0.00 1.67 2.01 0.92 0.95 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 48 E 8.18 3.74 0.00 2.38 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 2.53 0.00 49 A 7.84 3.92 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 50 R 9.33 4.09 0.00 2.00 1.97 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 51 I 7.70 3.74 1.87 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 1.70 1.02 0.92 0.00 0.00 52 R 8.29 4.40 0.00 2.02 2.13 0.00 2.84 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 53 A 7.86 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.14 4.05 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 55 A 7.92 3.96 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 56 K 8.14 4.03 0.00 1.86 1.92 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 57 R 8.45 3.99 0.00 1.97 1.95 0.00 3.41 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 58 L 7.84 3.96 0.00 1.77 1.63 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.11 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.72 3.94 0.00 2.25 2.18 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 2.31 2.49 0.00 61 R 8.48 4.22 0.00 2.05 1.97 0.00 3.26 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 62 K 8.68 3.39 0.00 1.66 1.56 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.13 1.54 7.81 63 A 7.58 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.64 4.08 0.00 2.05 2.27 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 2.29 2.57 0.00 65 A 9.20 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.89 4.21 0.00 2.21 2.46 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 2.28 2.36 0.00 67 R 7.50 4.28 0.00 1.90 1.87 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 68 L 7.92 4.60 0.00 1.68 1.96 0.90 0.66 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 69 K 7.74 4.15 0.00 1.84 2.01 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.42 1.51 7.81 70 E 7.89 4.17 0.00 2.03 1.81 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 2.23 1.86 0.00 71 I 7.71 4.38 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.21 1.03 0.00 0.00 72 L 7.47 4.31 0.00 1.75 1.55 0.92 0.91 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 73 E 8.08 4.41 0.00 2.16 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 0.00 2.61 2.24 0.00 74 N 8.02 5.03 0.00 2.81 2.89 0.00 0.00 5.75 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 75 L 7.50 4.98 0.00 1.63 1.45 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.75 4.72 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 1.21 0.00 0.00 77 L 7.92 3.69 0.00 1.68 1.65 0.92 0.74 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 78 T 8.07 4.81 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 1.21 0.00 0.00 79 I 9.17 4.30 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.93 0.00 0.00 80 P 0.00 4.32 0.00 2.09 1.77 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 81 V 7.96 3.46 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 0.93 0.00 0.00 0.96 0.00 0.00 82 R 8.25 4.28 0.00 1.77 1.64 0.00 3.15 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.43 0.00 83 A 7.83 4.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 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 85 E 8.81 4.15 0.00 2.14 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 0.00 2.20 2.24 0.00 86 T 7.33 5.03 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 1.23 0.00 0.00 87 K 9.02 4.27 0.00 1.70 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.08 7.81 88 I 8.04 4.65 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 1.03 0.00 0.00 89 Y 8.86 4.36 0.00 2.88 3.05 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 90 G 7.87 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 0.00 0.00 0.00 91 S 8.11 5.01 0.00 4.06 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 92 V 7.54 4.67 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 0.80 0.00 0.00 0.90 0.00 0.00 93 T 10.40 4.46 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 1.21 0.00 0.00 94 A 8.35 3.50 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 95 K 8.66 3.77 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.13 7.81 96 D 7.49 4.36 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 97 I 8.56 4.24 2.02 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 1.47 0.84 0.93 0.00 0.00 98 A 7.85 4.04 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 99 E 8.92 3.89 0.00 1.94 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 2.25 2.22 0.00 100 A 7.84 4.31 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 0.00 101 L 8.40 4.37 0.00 1.62 1.66 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.67 5.11 0.00 3.67 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 0.00 103 R 7.27 4.52 0.00 1.97 1.81 0.00 3.23 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 104 Q 8.45 4.38 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.36 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 *105 H 8.28 4.57 0.00 2.92 2.84 0.00 7.26 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 0.00 106 G 7.30 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 0.00 0.00 0.00 0.00 107 V 7.76 3.93 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 0.63 0.00 0.00 0.89 0.00 0.00 108 T 8.83 3.92 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 1.21 0.00 0.00 109 I 8.18 4.79 1.87 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 1.27 1.23 0.91 0.00 0.00 110 D 9.20 4.82 0.00 2.66 2.50 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 0.00 111 P 0.00 4.55 0.00 2.04 2.17 0.00 3.70 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 2.05 2.14 0.00 112 K 7.04 4.22 0.00 1.61 1.57 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.25 0.90 7.81 113 R 7.04 4.32 0.00 1.72 1.93 0.00 2.43 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 114 L 9.41 4.68 0.00 1.80 1.62 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.52 4.64 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 0.00 116 L 8.01 4.57 0.00 1.57 1.24 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.83 5.50 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 118 K 7.27 4.45 0.00 1.79 1.62 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 0.98 7.81 119 P 0.00 4.58 0.00 2.15 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 120 I 8.70 3.49 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.27 0.93 0.00 0.00 121 K 7.82 3.81 0.00 1.89 1.71 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 0.97 7.81 122 E 7.88 5.32 0.00 2.03 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 2.19 2.14 0.00 123 L 8.08 4.52 0.00 1.74 1.74 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.32 3.24 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 0.00 0.00 0.00 125 E 8.10 5.02 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 126 Y 8.73 4.83 0.00 3.11 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 0.00 127 V 8.38 4.91 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 0.89 0.00 0.00 0.98 0.00 0.00 128 L 8.94 5.12 0.00 1.62 1.47 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.24 5.17 4.29 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 1.30 0.00 0.00 130 Y 9.12 5.12 0.00 3.11 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 0.00 131 K 7.93 4.28 0.00 1.99 1.68 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.01 7.81 132 P 0.00 4.14 0.00 1.63 1.89 0.00 3.69 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 2.03 2.11 0.00 133 H 7.58 4.90 0.00 3.08 3.13 0.00 5.93 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.00 0.00 2.07 2.01 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 135 E 8.84 5.43 0.00 1.99 2.31 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 2.24 2.39 0.00 136 V 8.18 4.42 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 0.88 0.00 0.00 0.96 0.00 0.00 137 P 0.00 5.41 0.00 2.12 2.16 0.00 3.38 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.82 0.00 138 I 8.45 4.41 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 0.94 0.00 0.00 139 Q 8.76 4.89 0.00 1.77 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.89 0.00 0.00 0.00 0.00 0.00 2.34 1.93 0.00 140 L 9.63 5.38 0.00 1.24 1.50 0.92 0.34 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 0.00 141 K 8.75 4.92 0.00 1.43 1.70 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.22 7.81 142 V 8.75 4.15 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 0.62 0.00 0.00 0.93 0.00 0.00 143 S 8.67 4.38 0.00 3.87 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.88 4.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 145 V 6.92 3.04 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 0.75 0.00 0.00 0.92 0.00 0.00 *146 A 8.46 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.