NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5888 8.3349 115.5601 58.0550 64.4776 173.2428 3 K 4.3312 8.7851 121.7584 55.8550 33.8865 174.1650 4 K 5.0602 9.7293 123.1866 54.7556 35.1433 175.0009 5 V 4.8026 8.8922 125.4410 60.9319 34.3859 173.8183 6 L 4.9874 8.7955 130.3931 53.8259 43.7015 174.6828 7 L 4.8329 9.2133 129.8189 53.6422 43.7002 175.3043 8 V 4.7099 8.5612 128.3243 61.7392 33.0179 174.2407 9 D 4.7238 8.5750 126.6589 53.3108 44.6324 175.8074 10 D 4.9128 8.8266 123.2556 53.9868 40.3149 176.5052 11 S 4.4400 8.8426 116.3574 57.0369 63.1656 174.0098 12 A 3.9562 8.5012 132.1708 55.1222 18.3293 179.1692 13 V 3.4837 7.6601 116.2909 65.9708 31.6361 177.7750 14 L 3.8295 7.7625 119.9729 58.3634 41.8623 179.1247 15 R 3.8122 8.0353 117.9544 58.9371 29.9454 178.9456 16 K 3.9196 8.1377 119.3770 59.5755 32.3328 178.8489 17 I 3.7437 7.5466 119.5933 64.5024 37.0160 178.6792 18 V 3.4092 7.7456 119.0697 65.9241 31.2080 177.9475 19 S 4.1250 8.3866 113.2346 61.3278 62.1080 175.6554 20 F 4.0958 8.4021 123.3464 61.6958 38.8529 176.9702 21 N 4.4773 8.2790 114.5282 56.2289 38.8237 177.1890 22 L 4.4219 8.4750 120.7869 57.9350 41.7108 179.7728 23 K 4.3178 8.3843 120.0313 58.7234 31.6907 179.5319 24 K 3.7618 7.4295 118.1264 58.9088 31.9593 178.1208 25 E 4.1212 7.5503 116.0766 55.9493 29.5747 177.2015 26 G 3.7630 7.7247 107.6468 45.4742 0.0000 173.3206 27 Y 4.8637 7.1507 116.7487 57.4431 39.8637 173.9917 28 E 4.8042 9.2332 121.7414 54.7921 32.0705 175.1001 29 V 4.9070 8.4408 123.5022 61.1806 34.0411 174.5355 30 I 4.6171 8.9502 128.2905 59.5895 40.0300 174.4657 31 E 5.2585 8.8346 124.8234 54.7680 32.5466 175.2552 32 A 4.7807 8.7747 123.2781 50.5992 22.8444 176.7987 33 E 4.7421 9.2673 118.5615 56.1953 30.7911 175.1345 34 N 5.2597 7.4780 117.0416 50.9592 41.3738 175.1786 35 G 3.5380 8.4698 106.7657 47.7051 0.0000 175.6613 36 Q 3.9519 8.0805 121.3616 59.1922 29.1284 178.2032 37 I 3.8201 8.2857 120.6820 64.3891 37.0757 178.0592 38 A 3.9325 7.9647 121.3006 55.4192 18.3172 179.7835 39 L 3.5165 7.9138 117.2626 57.5720 41.3703 179.5458 40 E 4.0405 8.0751 117.8573 59.6345 29.8179 179.3686 41 K 4.2588 8.2753 118.3728 59.4397 31.8934 179.4354 42 L 4.2190 8.0040 119.9553 56.9080 41.4398 179.3140 43 S 4.5921 7.9982 113.9772 60.9248 62.7792 175.5437 44 E 4.5170 8.2153 120.7532 57.1182 29.8304 176.1063 45 F 4.9178 7.5293 111.2289 55.8782 40.7136 173.3450 46 T 4.0593 8.1578 118.9385 60.8923 68.6916 172.8350 47 P 4.4876 0.0000 0.0000 62.2518 32.1267 176.5252 48 D 4.5343 8.5063 119.0849 56.9270 41.3261 176.6085 49 L 4.6344 7.5742 118.5367 53.8297 45.8248 173.7228 50 I 4.8221 8.5602 125.5382 59.4930 40.2815 174.5034 51 V 4.6527 8.7425 127.4553 61.4915 33.3449 174.3792 52 L 4.5806 8.7013 130.1352 53.7406 45.8014 176.1312 *54 I 3.6086 8.3976 117.7762 61.4828 38.7513 175.9773 55 M 4.6152 7.6417 125.0585 55.1282 31.3682 175.8208 56 M 4.7875 8.0224 122.6430 52.6775 36.2488 173.5747 57 P 4.3753 0.0000 0.0000 63.4556 32.4655 176.0240 58 V 3.6618 9.0015 122.5631 63.3636 31.0717 171.8410 59 M 4.5843 7.3273 118.3377 53.2433 34.9492 174.0061 60 D 5.1838 8.6189 126.6796 52.3158 42.5071 177.4502 61 G 3.4442 8.5979 106.5210 47.7073 0.0000 176.0800 62 F 4.3993 7.7454 119.5593 60.7497 39.0100 177.6185 63 T 3.9175 8.4382 115.3671 66.5853 68.1955 176.4764 64 V 3.5410 7.7040 120.0918 66.2717 31.5426 177.8925 65 L 3.9722 8.0881 118.4499 57.7297 41.2619 179.4646 66 K 3.9625 7.9850 118.2111 59.7008 31.9786 178.7643 67 K 4.2834 8.3288 118.6295 59.3025 31.4177 179.3990 68 L 4.3953 8.4172 119.9408 58.0708 41.3433 179.4967 69 Q 4.1938 7.9889 116.4384 58.0048 28.7540 177.4572 70 E 4.3784 7.8189 116.0511 55.6721 30.5568 176.1108 71 K 4.3882 7.3138 120.0640 54.2023 34.4220 176.3292 72 E 3.8604 8.9743 124.8789 59.5575 29.4748 178.0631 73 E 4.1368 7.8710 116.0591 57.9367 30.1014 177.3220 74 W 4.9325 8.1011 118.1467 56.9530 31.0486 178.1017 75 K 4.2807 8.2339 116.4029 59.0930 32.1974 177.7228 76 R 4.3659 7.8156 116.3823 56.0713 30.7086 176.3817 77 I 3.8438 7.4505 120.3979 60.4170 37.6561 174.1411 78 P 4.4598 0.0000 0.0000 62.5197 32.7282 175.3879 79 V 4.7927 8.3321 122.8542 61.1642 34.9023 173.8135 80 I 4.8281 8.5592 128.9369 59.5975 39.2086 174.9886 81 V 4.2990 8.8125 128.8293 62.3802 32.7471 174.4589 82 L 5.0990 8.8147 130.2129 53.7297 43.9983 175.2666 83 T 4.7385 8.7473 120.1786 60.4087 70.7673 174.6369 84 A 4.0241 8.7458 129.2054 54.1605 18.8443 178.0059 85 K 4.2389 8.0135 116.4967 55.6527 32.7562 176.6862 86 G 4.0925 8.4533 112.2392 43.1101 0.0000 172.5363 87 G 4.1342 8.5944 105.3887 44.8065 0.0000 174.9285 88 E 3.9798 8.8474 120.2061 59.0146 29.3597 179.4886 89 E 3.9112 8.0887 119.0493 59.2825 29.8291 178.3092 90 D 4.5165 8.1186 118.4642 57.4006 40.9298 178.2154 91 E 3.9636 7.9547 119.7713 59.3719 29.6240 178.7573 92 S 4.0618 8.4008 113.4354 61.2611 62.6030 175.7323 93 L 3.8332 8.1904 123.0253 58.1038 41.8221 178.7214 94 A 4.2177 8.2852 120.5676 55.3943 18.4119 179.6013 95 L 4.1792 8.1956 117.8043 57.9940 41.4998 179.9445 96 S 4.2513 8.4246 113.3058 60.5217 62.9565 175.4311 97 L 4.5820 7.3125 120.3477 54.0627 41.8462 176.7887 98 G 4.1093 7.8646 107.1589 45.1050 0.0000 174.3560 99 A 4.1955 7.8352 122.4981 52.1960 19.0307 178.3833 100 R 4.3018 8.8753 120.9036 58.3533 31.0470 177.2239 101 K 4.6997 7.8495 118.0545 54.6818 36.2030 174.9042 102 V 4.8917 8.4610 125.0475 61.4625 33.9126 174.4175 103 M 5.0311 9.6943 126.9571 53.6786 36.2420 174.5071 104 R 5.2047 8.5806 119.4029 54.7382 32.3769 176.1452 105 K 4.7613 8.5660 122.5832 54.3047 33.8287 175.1183 106 P 4.3842 0.0000 0.0000 62.6580 31.7772 176.2160 107 F 4.4513 8.8248 117.7559 56.5645 38.8879 175.5608 108 S 4.2024 8.3581 118.2293 56.3822 62.6982 172.6783 109 P 3.8307 0.0000 0.0000 65.5629 31.1197 178.7402 110 S 4.1429 7.8849 112.3508 61.6421 63.0918 176.4089 111 Q 4.0023 8.0115 121.4130 58.3497 28.4340 178.1920 112 F 4.2523 8.4351 121.6450 61.6384 39.5167 177.1797 113 I 3.5715 8.3134 119.6757 64.3024 36.7980 178.0190 114 E 3.8240 8.1771 120.1286 59.2282 29.3190 178.5632 115 E 3.7453 7.9420 119.1490 59.0600 29.7085 178.7680 116 V 3.3388 7.5931 118.5167 65.9377 31.5123 178.0021 117 K 3.9714 8.2915 118.4393 59.9965 31.6923 178.7248 118 H 4.2194 7.9971 115.3298 58.9655 28.7065 177.1015 119 L 4.2981 7.5581 118.9594 56.0382 41.8912 178.4277 120 L 4.3300 7.6570 118.0599 56.4844 42.4736 176.2627 121 N 4.5628 8.0156 119.2412 53.0302 37.5610 174.6960 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.59 0.00 4.09 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 3 K 8.79 4.33 0.00 1.82 1.68 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.53 7.81 4 K 9.73 5.06 0.00 1.82 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.46 7.81 5 V 8.89 4.80 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.73 0.00 0.00 6 L 8.80 4.99 0.00 1.87 1.47 1.06 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.21 4.83 0.00 1.71 1.52 0.92 0.54 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 8 V 8.56 4.71 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 0.73 0.00 0.00 0.86 0.00 0.00 9 D 8.58 4.72 0.00 2.65 2.35 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 10 D 8.83 4.91 0.00 2.80 2.83 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 11 S 8.84 4.44 0.00 3.81 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 12 A 8.50 3.96 1.30 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 13 V 7.66 3.48 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 1.00 0.00 0.00 0.91 0.00 0.00 14 L 7.76 3.83 0.00 1.65 1.75 0.75 0.73 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 15 R 8.04 3.81 0.00 2.01 2.09 0.00 3.15 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 16 K 8.14 3.92 0.00 1.93 1.99 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 17 I 7.55 3.74 1.99 0.00 0.00 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 1.42 1.03 1.29 0.00 0.00 18 V 7.75 3.41 1.82 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 0.83 0.00 0.00 -0.12 0.00 0.00 19 S 8.39 4.13 0.00 3.98 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 20 F 8.40 4.10 0.00 3.31 3.34 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 21 N 8.28 4.48 0.00 3.25 3.17 0.00 0.00 7.12 7.69 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 22 L 8.48 4.42 0.00 1.98 1.98 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.38 4.32 0.00 1.66 1.78 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.58 7.81 24 K 7.43 3.76 0.00 1.70 1.72 0.00 1.22 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.97 1.07 7.81 25 E 7.55 4.12 0.00 1.27 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 2.39 2.44 0.00 26 G 7.72 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 27 Y 7.15 4.86 0.00 3.06 2.79 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 28 E 9.23 4.80 0.00 1.91 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 2.29 2.40 0.00 29 V 8.44 4.91 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 0.85 0.00 0.00 1.02 0.00 0.00 30 I 8.95 4.62 2.03 0.00 0.00 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 0.86 0.34 0.88 0.00 0.00 31 E 8.83 5.26 0.00 1.82 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 2.28 0.00 32 A 8.77 4.78 1.22 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 0.00 0.00 0.00 33 E 9.27 4.74 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 34 N 7.48 5.26 0.00 3.10 2.91 0.00 0.00 6.11 6.92 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 35 G 8.47 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.08 3.95 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 37 I 8.29 3.82 1.97 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 1.68 0.67 0.91 0.00 0.00 38 A 7.96 3.93 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 39 L 7.91 3.52 0.00 1.81 1.72 0.95 0.21 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 40 E 8.08 4.04 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 41 K 8.28 4.26 0.00 2.02 2.09 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.70 7.81 42 L 8.00 4.22 0.00 1.15 1.01 0.28 0.31 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 43 S 8.00 4.59 0.00 4.19 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.22 4.52 0.00 2.22 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 0.00 2.70 2.53 0.00 45 F 7.53 4.92 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 46 T 8.16 4.06 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 1.18 0.00 0.00 47 P 0.00 4.49 0.00 2.24 1.88 0.00 3.30 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 48 D 8.51 4.53 0.00 2.64 2.72 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 49 L 7.57 4.63 0.00 1.59 1.31 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.56 4.82 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.43 0.82 0.00 0.00 51 V 8.74 4.65 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 0.98 0.00 0.00 1.11 0.00 0.00 52 L 8.70 4.58 0.00 1.67 1.43 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 *54 I 8.40 3.61 1.66 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 0.32 0.00 0.00 55 M 7.64 4.62 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 56 M 8.02 4.79 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 57 P 0.00 4.38 0.00 2.16 2.06 0.00 3.84 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 1.97 1.93 0.00 58 V 9.00 3.66 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 0.74 0.00 0.00 0.93 0.00 0.00 59 M 7.33 4.58 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 60 D 8.62 5.18 0.00 3.09 2.79 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 61 G 8.60 3.44 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 0.00 62 F 7.75 4.40 0.00 3.29 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.44 3.92 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 64 V 7.70 3.54 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 0.99 0.00 0.00 0.93 0.00 0.00 65 L 8.09 3.97 0.00 1.97 1.97 1.04 0.58 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 66 K 7.98 3.96 0.00 1.95 2.05 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.52 7.81 67 K 8.33 4.28 0.00 2.04 2.06 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.67 7.81 68 L 8.42 4.40 0.00 1.87 1.79 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.99 4.19 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 70 E 7.82 4.38 0.00 2.15 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 2.56 2.40 0.00 71 K 7.31 4.39 0.00 1.40 1.26 0.00 1.30 0.00 0.00 1.35 0.00 0.00 2.52 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 0.29 7.81 72 E 8.97 3.86 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 73 E 7.87 4.14 0.00 1.57 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 2.21 2.30 0.00 74 W 8.10 4.93 0.00 3.62 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.23 4.28 0.00 2.02 2.12 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 76 R 7.82 4.37 0.00 1.83 2.01 0.00 3.22 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 77 I 7.45 3.84 1.82 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 1.27 0.60 0.81 0.00 0.00 78 P 0.00 4.46 0.00 2.02 1.93 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 79 V 8.33 4.79 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 80 I 8.56 4.83 1.93 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 1.10 0.56 1.04 0.00 0.00 81 V 8.81 4.30 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 0.89 0.00 0.00 0.91 0.00 0.00 82 L 8.81 5.10 0.00 1.63 1.43 0.35 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.75 4.74 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 1.33 0.00 0.00 84 A 8.75 4.02 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 85 K 8.01 4.24 0.00 1.78 2.03 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.38 7.81 86 G 8.45 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 87 G 8.59 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.85 3.98 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 89 E 8.09 3.91 0.00 2.03 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 2.31 2.36 0.00 90 D 8.12 4.52 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.95 3.96 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.40 4.06 0.00 3.96 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 93 L 8.19 3.83 0.00 1.65 1.45 0.74 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.29 4.22 1.52 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 95 L 8.20 4.18 0.00 1.73 1.75 0.99 0.79 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 96 S 8.42 4.25 0.00 3.99 4.15 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 97 L 7.31 4.58 0.00 1.76 1.80 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.86 4.11 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 0.00 99 A 7.84 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.88 4.30 0.00 1.92 1.99 0.00 3.29 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 101 K 7.85 4.70 0.00 1.75 1.60 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.64 7.81 102 V 8.46 4.89 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 103 M 9.69 5.03 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 104 R 8.58 5.20 0.00 1.71 1.86 0.00 3.22 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 105 K 8.57 4.76 0.00 1.63 1.75 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.27 7.81 106 P 0.00 4.38 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 107 F 8.82 4.45 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.36 4.20 0.00 3.84 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 0.00 109 P 0.00 3.83 0.00 2.07 2.15 0.00 3.37 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.19 0.00 110 S 7.88 4.14 0.00 4.05 4.11 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 0.00 111 Q 8.01 4.00 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 112 F 8.44 4.25 0.00 3.39 3.54 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 0.00 0.00 0.00 0.00 113 I 8.31 3.57 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.89 1.01 0.00 0.00 114 E 8.18 3.82 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.95 0.00 115 E 7.94 3.75 0.00 2.12 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 2.31 2.29 0.00 116 V 7.59 3.34 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 0.66 0.00 0.00 0.10 0.00 0.00 117 K 8.29 3.97 0.00 1.98 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.71 7.81 118 H 8.00 4.22 0.00 3.30 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.56 4.30 0.00 1.61 1.66 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.66 4.33 0.00 1.60 1.64 0.19 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.02 4.56 0.00 2.87 2.87 0.00 0.00 6.98 7.34 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 * Residues marked with a * may have inaccurate shift predictions.