NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4409 8.3049 120.3485 55.4019 33.4444 174.5487 2 K 4.3017 7.8176 122.3529 56.4242 35.9153 173.5090 3 T 3.4665 7.7958 114.7845 64.5372 72.9616 173.4411 4 Y 4.8463 7.7485 117.9079 57.4662 40.1928 174.0705 5 V 4.4977 7.6014 120.6661 60.1012 34.7257 172.6911 6 P 4.8666 0.0000 0.0000 61.0944 33.1306 175.9424 7 K 4.2921 8.1724 119.9632 55.4201 34.1484 175.9048 8 Q 4.0517 8.4615 119.5680 56.7399 28.4152 176.8383 9 V 3.9039 7.9864 126.5916 62.2619 33.1284 174.8040 10 E 4.3454 8.5059 120.7989 53.8575 30.9415 173.2667 11 P 4.1022 0.0000 0.0000 63.2404 30.5945 176.1058 12 R 4.5150 8.3307 125.0894 54.4196 29.8120 175.9135 13 W 4.8291 9.0527 126.2937 58.0750 30.0851 174.9833 14 V 4.3135 8.4896 115.2186 62.7843 34.4699 171.8405 15 L 5.1633 8.3755 129.6851 53.8091 44.5063 174.5885 16 I 4.6353 8.8674 124.8703 60.4409 42.1649 172.6106 17 D 4.6140 8.0928 120.8149 53.1909 43.6261 176.1280 18 A 4.7748 7.7668 130.3438 50.6786 19.2762 176.3967 19 E 4.0149 8.4455 118.9734 57.8666 30.0258 178.9109 20 G 3.9725 7.8432 107.2122 45.9207 0.0000 173.6606 21 K 4.4952 8.9358 121.1237 55.2952 35.2535 175.3430 22 T 5.0098 8.3822 117.6997 61.2720 69.7330 174.9382 23 L 3.8211 8.5607 127.4744 57.5907 40.8636 176.1524 24 G 4.3484 9.5337 116.4719 45.6589 0.0000 175.6390 25 R 4.1040 7.7192 121.2181 58.0708 30.5385 178.3591 26 L 4.2124 8.1309 119.6980 57.4449 42.3491 178.3629 27 A 3.9435 7.8065 120.2124 56.1543 18.4175 178.4697 28 T 3.7838 8.5370 111.0606 65.4550 67.1578 175.6706 29 K 3.8101 7.9004 120.2363 59.1943 32.2746 179.0343 30 I 3.6321 7.8973 119.4294 64.2593 36.7276 178.1111 31 A 4.0755 8.6877 122.3081 55.7317 17.8441 179.4426 32 T 3.7882 8.5182 114.9821 66.9860 68.3062 176.2327 33 L 3.7358 7.9553 120.5338 59.3173 42.6057 178.2849 34 L 3.1870 8.8331 115.0807 58.2751 42.3942 177.2858 35 R 4.3667 7.5364 119.0912 56.2392 30.7576 179.0263 36 G 3.9555 8.5162 111.1515 45.8855 0.0000 172.8879 37 K 3.3256 7.8553 122.6507 57.3039 33.3761 177.1601 38 H 4.3772 7.9493 112.9883 57.3618 29.5994 175.2452 39 R 3.9066 6.9603 122.5096 54.9803 29.3982 176.0648 40 P 4.6299 0.0000 0.0000 62.8995 31.0096 176.4918 41 D 5.0052 8.5299 114.4283 53.8199 41.1309 175.9439 42 W 5.0444 8.0525 128.8737 58.2896 32.0739 175.7657 43 T 3.9035 6.9297 113.8708 61.9120 69.9516 171.8904 44 P 3.1655 0.0000 0.0000 64.1849 31.3162 177.5495 45 N 4.5815 7.4302 114.4622 52.7792 37.8256 176.3443 46 V 3.5303 7.2050 119.7187 63.2350 32.4009 177.1460 47 A 4.2305 7.9558 124.3634 52.1393 16.0488 177.6093 48 M 4.7960 8.0190 118.6965 53.4316 34.4725 176.6154 49 G 4.8164 8.2838 108.7938 45.7784 0.0000 171.9048 50 D 4.7130 8.8660 119.5676 54.2900 41.6002 176.6159 51 F 4.2870 8.7953 118.5337 60.5500 39.8177 175.8338 52 V 3.5005 6.7829 116.9698 58.7922 33.2777 174.3600 53 V 4.9012 9.5613 127.8215 61.2372 34.7259 173.9265 54 V 5.5869 8.5340 127.8931 60.7655 33.7121 174.9005 55 V 4.7468 8.3399 126.9983 60.5565 34.5151 174.2044 56 N 4.1836 8.8710 115.8909 52.9104 36.7642 172.4612 57 A 4.1931 7.9247 121.3879 53.6422 20.2114 178.5754 58 D 3.9872 9.4294 114.6796 53.8804 40.6758 175.6247 59 K 3.8684 8.7665 116.9552 56.9386 30.5013 175.3921 60 I 4.0999 7.4425 120.1937 60.3450 37.6555 176.4395 61 R 4.2713 8.3477 124.7360 56.4459 31.3166 177.0197 62 V 4.5123 8.2882 113.5941 64.6283 32.4551 173.5982 63 T 3.2335 7.9368 112.3059 62.5437 70.9606 171.3691 64 G 4.0747 8.4470 110.7841 45.2336 0.0000 171.4201 65 K 4.3828 8.4104 118.1653 55.5279 33.0738 177.7887 66 K 4.6938 8.3830 124.4431 55.9574 32.9684 178.0384 67 L 4.2708 7.6278 119.1903 53.3172 40.2938 177.3596 68 E 4.0524 8.2887 115.9335 56.3923 27.2853 175.7648 69 Q 4.0856 7.8580 117.9836 57.1649 29.5508 175.3323 70 K 4.4829 7.9564 119.5686 55.1466 33.2179 175.0807 71 I 4.9432 8.3885 128.1913 60.0911 39.6977 175.8966 72 Y 4.4402 9.9241 124.2146 56.2766 37.5044 176.5639 73 T 3.6675 8.7482 120.3375 67.6756 69.2935 178.0516 74 R 3.0085 7.3162 115.1587 58.4305 30.4781 175.9630 75 Y 4.3601 9.7155 118.4651 56.6131 38.4916 175.4105 76 S 4.4661 8.4636 119.3573 55.6065 62.8781 173.3808 77 G 3.5207 7.8076 115.0678 46.7474 0.0000 171.6390 78 Y 5.2973 7.3314 129.7518 56.7857 38.7673 173.3151 79 P 4.6280 0.0000 0.0000 65.2472 31.9093 176.3467 80 G 4.0569 7.5387 105.4060 45.0054 0.0000 172.9319 81 G 4.0871 7.7476 110.3226 43.6058 0.0000 173.6034 82 L 4.7626 8.1300 126.5154 54.0844 39.4786 175.9327 83 K 3.9113 7.4352 119.2632 56.5100 32.5590 175.0053 84 K 4.9604 8.4550 125.5845 55.1450 34.0040 176.1819 85 I 4.7563 8.2352 122.8271 59.1845 41.1963 173.4604 86 P 5.0844 0.0000 0.0000 61.5695 33.0564 176.5596 87 L 3.7172 9.1422 119.3988 58.5061 41.3982 180.4208 88 E 3.7735 7.5082 117.2982 59.7341 29.7937 179.0894 89 K 3.8054 7.8096 117.1070 59.6511 32.0027 178.6877 90 M 4.2261 7.7543 119.0411 58.1635 31.9269 178.6000 91 L 3.9327 7.6092 117.2526 58.7969 41.9503 178.9612 92 A 4.1700 8.2053 120.6598 53.9338 18.3221 176.9587 93 T 3.4243 8.6057 113.7010 63.1602 67.7643 175.5170 94 H 4.3023 8.4134 120.0775 55.8923 28.2770 172.4688 95 P 5.1498 0.0000 0.0000 61.3647 29.8274 177.5443 96 E 3.7780 9.5296 115.7658 57.8421 30.4326 176.6291 97 R 3.9543 8.1800 117.8621 59.3664 29.9253 179.4143 98 V 3.5056 7.3043 115.6783 65.6802 32.3514 177.2415 99 L 4.1603 8.2890 120.3653 58.2299 42.0064 177.9933 100 E 3.9710 8.2523 117.7635 60.2769 29.4097 178.7932 101 H 4.1321 8.8184 115.6350 59.3642 28.7728 177.4957 102 A 4.0686 7.6808 120.8080 55.2554 18.1933 179.5317 103 V 3.7997 8.2727 117.0094 65.6189 31.7628 177.8122 104 K 4.0717 8.4517 119.1543 59.6537 31.6494 179.9435 105 G 4.0338 7.6162 101.9189 45.2618 0.0000 174.0039 106 M 4.7566 8.5658 120.3587 54.4729 34.8814 175.9488 107 L 4.4932 7.4224 118.7829 52.4104 43.0364 174.8384 108 P 4.3867 0.0000 0.0000 62.8525 31.4531 177.4450 109 K 3.8823 8.5740 118.7728 59.3092 32.9459 177.9113 110 G 3.8910 7.7684 106.6226 43.3715 0.0000 172.0009 111 P 4.3589 0.0000 0.0000 64.4338 30.8697 178.3802 112 L 4.1204 7.8038 120.0290 57.7997 42.3730 178.5076 113 G 4.3295 8.0190 106.4946 47.0380 0.0000 175.3203 114 R 3.8972 8.0381 120.3950 59.4559 30.4534 178.2220 115 R 4.0314 7.8834 118.5609 59.2871 29.9709 178.4878 116 L 3.9381 9.4553 119.0116 57.6395 40.1959 179.1831 117 F 4.0326 8.4543 120.3533 60.7128 39.0638 177.0401 118 K 4.1243 7.7706 117.0577 58.4898 31.8017 179.2305 119 R 3.2653 7.5540 118.6417 57.8232 30.5042 176.4595 120 L 3.7244 6.0731 116.2932 55.5357 42.8117 176.7647 121 K 4.1618 8.7827 126.1704 54.8245 34.0907 174.0994 122 V 4.7157 7.7501 125.6389 61.3385 33.2214 174.0925 123 Y 4.8189 8.8853 123.1550 56.0665 42.5848 174.8759 124 A 4.6566 8.5686 124.4966 50.3948 16.2270 177.9813 125 G 4.0674 7.9842 122.8525 43.4780 0.0000 170.1505 126 P 4.1544 0.0000 0.0000 63.2449 31.4861 176.2669 127 D 4.7423 8.9320 117.6893 55.5163 39.4866 176.1468 128 H 4.2823 8.3426 121.7582 52.9264 28.1385 172.8466 129 P 4.4779 0.0000 0.0000 62.9772 29.3527 175.3302 130 H 4.6930 7.4184 126.2689 56.6822 32.4124 173.6288 131 Q 4.3938 7.6881 115.5563 54.8302 30.9828 175.1661 132 A 4.5361 7.7574 119.8546 51.8977 20.9569 177.0020 133 Q 4.4004 7.0861 115.3697 54.8090 29.7189 173.0441 134 R 4.2523 7.7590 115.3413 54.7848 30.1987 176.3108 135 P 4.6647 0.0000 0.0000 67.0941 31.6311 176.4690 136 E 4.3373 6.8019 117.1911 58.6566 29.1620 175.5112 137 K 4.5108 8.4045 127.2853 55.1332 34.5296 176.1924 138 L 4.5191 8.1417 124.9580 54.1270 41.1989 177.2649 *139 E 4.1515 7.8371 117.7793 56.1507 30.3597 177.5214 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 8.30 4.44 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 7.82 4.30 0.00 1.69 1.46 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.58 7.81 3 T 7.80 3.47 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 1.08 0.00 0.00 4 Y 7.75 4.85 0.00 2.93 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 5 V 7.60 4.50 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 0.86 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.87 0.00 2.24 2.06 0.00 3.83 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 1.92 2.00 0.00 7 K 8.17 4.29 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 8 Q 8.46 4.05 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 V 7.99 3.90 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 0.80 0.00 0.00 1.04 0.00 0.00 10 E 8.51 4.35 0.00 1.91 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 0.00 2.21 2.38 0.00 11 P 0.00 4.10 0.00 1.86 2.22 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 12 R 8.33 4.51 0.00 1.93 2.01 0.00 3.32 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 13 W 9.05 4.83 0.00 3.13 3.39 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 14 V 8.49 4.31 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 0.90 0.00 0.00 1.04 0.00 0.00 15 L 8.38 5.16 0.00 1.84 1.58 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.87 4.64 1.89 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 1.12 0.44 0.97 0.00 0.00 17 D 8.09 4.61 0.00 2.77 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 18 A 7.77 4.77 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 19 E 8.45 4.01 0.00 2.25 2.48 0.00 0.00 0.00 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 2.79 0.00 20 G 7.84 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 0.00 0.00 0.00 21 K 8.94 4.50 0.00 1.53 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 22 T 8.38 5.01 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 L 8.56 3.82 0.00 1.68 1.71 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.53 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 0.00 0.00 0.00 0.00 25 R 7.72 4.10 0.00 1.99 2.03 0.00 3.36 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 L 8.13 4.21 0.00 1.78 1.74 0.92 0.96 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 27 A 7.81 3.94 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 28 T 8.54 3.78 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 1.32 0.00 0.00 29 K 7.90 3.81 0.00 1.97 1.87 0.00 1.99 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.53 7.81 30 I 7.90 3.63 2.01 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 1.44 1.07 0.87 0.00 0.00 31 A 8.69 4.08 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 32 T 8.52 3.79 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 1.14 0.00 0.00 33 L 7.96 3.74 0.00 1.79 1.85 0.68 0.89 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 34 L 8.83 3.19 0.00 1.85 1.50 0.82 -0.00 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 35 R 7.54 4.37 0.00 2.20 2.09 0.00 3.11 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 36 G 8.52 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 0.00 0.00 0.00 37 K 7.86 3.33 0.00 1.22 1.98 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.22 7.81 38 H 7.95 4.38 0.00 3.27 3.33 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 6.96 3.91 0.00 1.61 1.69 0.00 3.40 0.00 0.00 3.57 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 40 P 0.00 4.63 0.00 2.23 2.13 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 41 D 8.53 5.01 0.00 2.65 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 42 W 8.05 5.04 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 6.93 3.90 4.09 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 0.00 0.00 1.10 0.00 0.00 44 P 0.00 3.17 0.00 1.91 1.75 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 45 N 7.43 4.58 0.00 2.73 2.83 0.00 0.00 6.09 7.68 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 46 V 7.20 3.53 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 0.65 0.00 0.00 0.92 0.00 0.00 47 A 7.96 4.23 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 48 M 8.02 4.80 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 49 G 8.28 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.87 4.71 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 51 F 8.80 4.29 0.00 1.88 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 0.00 0.00 0.00 52 V 6.78 3.50 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 0.92 0.00 0.00 0.92 0.00 0.00 53 V 9.56 4.90 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 1.24 0.00 0.00 1.46 0.00 0.00 54 V 8.53 5.59 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 1.15 0.00 0.00 0.93 0.00 0.00 55 V 8.34 4.75 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 0.86 0.00 0.00 0.98 0.00 0.00 56 N 8.87 4.18 0.00 2.82 3.19 0.00 0.00 7.29 7.96 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 57 A 7.92 4.19 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 58 D 9.43 3.99 0.00 2.92 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 59 K 8.77 3.87 0.00 1.94 2.10 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 I 7.44 4.10 1.89 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 1.29 1.01 1.04 0.00 0.00 61 R 8.35 4.27 0.00 1.83 1.88 0.00 3.33 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 1.65 1.72 0.00 62 V 8.29 4.51 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 0.67 0.00 0.00 0.97 0.00 0.00 63 T 7.94 3.23 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 64 G 8.45 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 65 K 8.41 4.38 0.00 1.76 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 66 K 8.38 4.69 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.35 1.40 7.81 67 L 7.63 4.27 0.00 1.64 1.63 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.29 4.05 0.00 2.14 2.22 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 2.18 2.44 0.00 69 Q 7.86 4.09 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 70 K 7.96 4.48 0.00 1.96 1.81 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.70 2.03 7.81 71 I 8.39 4.94 1.92 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 1.40 0.79 0.99 0.00 0.00 72 Y 9.92 4.44 0.00 3.11 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 73 T 8.75 3.67 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 1.22 0.00 0.00 74 R 7.32 3.01 0.00 1.58 1.82 0.00 3.12 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 75 Y 9.72 4.36 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.46 4.47 0.00 3.78 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.81 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.33 5.30 0.00 2.93 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 79 P 0.00 4.63 0.00 2.31 2.59 0.00 3.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 80 G 7.54 4.06 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 0.00 0.00 0.00 81 G 7.75 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.13 4.76 0.00 1.75 1.72 0.93 0.47 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 83 K 7.44 3.91 0.00 1.72 1.84 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.60 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 K 8.45 4.96 0.00 1.71 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.47 7.81 85 I 8.24 4.76 1.96 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.01 0.86 0.00 0.00 86 P 0.00 5.08 0.00 2.12 2.19 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 87 L 9.14 3.72 0.00 1.85 1.70 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.51 3.77 0.00 2.00 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 2.39 2.45 0.00 89 K 7.81 3.81 0.00 1.99 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 90 M 7.75 4.23 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 91 L 7.61 3.93 0.00 1.82 1.72 0.91 0.86 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 92 A 8.21 4.17 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 93 T 8.61 3.42 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 1.32 0.00 0.00 94 H 8.41 4.30 0.00 3.64 3.72 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.15 0.00 2.20 1.60 0.00 3.56 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 96 E 9.53 3.78 0.00 2.21 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 0.00 2.28 2.26 0.00 97 R 8.18 3.95 0.00 1.93 2.12 0.00 3.09 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 98 V 7.30 3.51 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 0.85 0.00 0.00 0.89 0.00 0.00 99 L 8.29 4.16 0.00 1.74 1.75 0.92 0.98 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 0.00 100 E 8.25 3.97 0.00 2.15 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 0.00 2.32 2.55 0.00 101 H 8.82 4.13 0.00 3.31 3.40 0.00 5.64 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 0.00 102 A 7.68 4.07 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 0.00 103 V 8.27 3.80 2.32 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 1.01 0.00 0.00 1.01 0.00 0.00 104 K 8.45 4.07 0.00 1.75 1.67 0.00 1.17 0.00 0.00 1.43 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.25 7.81 105 G 7.62 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 0.00 106 M 8.57 4.76 0.00 1.91 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 107 L 7.42 4.49 0.00 1.77 1.64 1.07 1.02 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 0.00 108 P 0.00 4.39 0.00 2.23 2.24 0.00 3.74 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 2.05 0.00 109 K 8.57 3.88 0.00 1.86 1.97 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.42 7.81 110 G 7.77 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 0.00 111 P 0.00 4.36 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 112 L 7.80 4.12 0.00 1.74 1.62 0.90 1.15 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 0.00 113 G 8.02 4.33 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 0.00 114 R 8.04 3.90 0.00 1.99 2.09 0.00 3.26 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 115 R 7.88 4.03 0.00 2.15 2.04 0.00 3.14 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 116 L 9.46 3.94 0.00 1.91 1.69 0.99 0.91 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 0.00 117 F 8.45 4.03 0.00 3.22 3.19 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 0.00 118 K 7.77 4.12 0.00 1.95 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.77 7.81 119 R 7.55 3.27 0.00 1.58 1.35 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 120 L 6.07 3.72 0.00 1.24 1.16 0.72 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.78 4.16 0.00 1.87 1.68 0.00 1.13 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.08 7.81 122 V 7.75 4.72 1.91 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 0.80 0.00 0.00 0.85 0.00 0.00 123 Y 8.89 4.82 0.00 2.98 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 0.00 124 A 8.57 4.66 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 0.00 125 G 7.98 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 0.00 126 P 0.00 4.15 0.00 2.20 2.12 0.00 3.75 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 2.00 2.02 0.00 127 D 8.93 4.74 0.00 2.69 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 0.00 128 H 8.34 4.28 0.00 3.17 3.36 0.00 5.47 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.48 0.00 2.10 2.03 0.00 3.37 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 130 H 7.42 4.69 0.00 3.19 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.69 4.39 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 1.92 2.44 0.00 132 A 7.76 4.54 1.02 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 0.00 133 Q 7.09 4.40 0.00 1.75 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 134 R 7.76 4.25 0.00 1.96 2.07 0.00 3.00 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 135 P 0.00 4.66 0.00 2.24 2.19 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 136 E 6.80 4.34 0.00 1.98 1.91 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 2.29 2.32 0.00 137 K 8.40 4.51 0.00 1.77 1.68 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.45 7.81 138 L 8.14 4.52 0.00 1.65 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 7.84 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.