NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4221 8.2893 118.1928 55.5322 32.4482 174.5732 2 D 4.6207 8.4717 116.1471 52.6586 39.6045 174.5329 3 Q 4.5575 7.5085 117.3251 54.4642 33.6187 175.2097 4 F 5.0250 8.0636 114.6242 55.4386 40.7214 174.4733 5 E 4.8075 8.8241 117.9524 54.7662 33.2504 174.9528 6 C 5.2968 8.8043 120.6121 59.1119 29.4778 173.0569 7 I 4.8926 8.9352 116.6948 59.0059 41.1795 174.8174 8 N 5.0664 8.5694 120.6056 51.8423 38.9812 176.5511 9 V 3.9083 8.3390 111.3267 64.3160 31.5021 178.7656 10 A 4.2328 8.1598 120.4822 55.0910 18.3094 178.9407 11 D 4.2170 8.8356 116.6362 57.4738 41.3521 178.2145 12 A 3.9808 8.2499 121.3692 55.5746 18.3163 179.0093 13 H 4.2075 8.8138 117.0674 59.4614 29.8291 177.2828 14 Q 3.9217 8.1519 121.3183 59.1672 28.8550 178.2556 15 K 4.0855 8.1877 119.5904 59.3141 32.0148 179.1307 16 L 3.9083 8.0803 120.6022 58.2640 41.8719 178.7800 17 Q 3.9360 8.0103 118.4048 59.0724 29.0589 177.3556 18 E 4.1899 8.1469 116.6741 55.8129 29.8103 176.6139 19 K 3.9117 7.8410 117.5216 57.6158 30.1105 176.5793 20 E 4.2896 8.4564 119.8180 57.8759 30.1710 176.5439 21 A 4.9859 7.5894 117.6917 50.5033 22.6485 175.8058 22 V 4.3980 8.8236 112.7781 59.7804 34.7059 174.7930 23 L 5.1461 8.3765 124.3682 53.4681 44.5280 175.4034 24 V 4.9607 8.8583 119.2889 59.5155 35.5933 174.0435 25 D 5.2786 9.0895 123.7443 52.4491 43.5844 175.7047 26 I 4.7468 8.1157 118.5697 59.9833 38.3483 176.1863 27 R 3.8002 8.0019 122.3509 55.4576 30.6774 176.5713 28 D 4.5992 8.5678 119.9343 53.1132 41.1243 175.9013 29 P 4.0487 0.0000 0.0000 66.0022 31.3219 178.8808 30 Q 3.9771 8.0747 117.4305 59.0057 28.5445 178.5912 31 S 4.1539 8.5976 115.3202 61.4225 63.2699 176.1115 32 F 3.9693 8.3739 123.2721 61.3510 39.0958 177.1591 33 A 4.3531 8.2303 121.5958 54.7172 17.9449 179.3320 34 M 4.5237 8.0659 116.3637 55.1396 32.2350 176.5277 35 G 4.1966 5.8217 117.1116 45.2552 0.0000 171.2522 36 H 4.3517 7.5363 119.3400 53.1820 32.6350 172.7058 37 A 4.4667 8.2765 120.4610 51.6560 19.2327 177.3546 38 V 3.7961 8.0290 120.3889 64.5349 32.1927 176.7186 39 Q 3.7708 9.0134 121.0379 55.8372 26.4202 173.7906 40 A 4.3755 7.8857 120.8674 51.9712 19.1734 177.0152 41 F 4.5338 9.1518 125.2365 57.1742 41.2835 174.3296 42 H 4.2583 7.7303 126.3040 55.5025 29.9451 173.8863 43 L 4.6138 8.3443 129.9225 53.5490 43.8521 175.5201 44 T 4.6752 8.4738 115.9146 58.7190 71.9943 174.2941 45 N 4.2828 8.6058 118.9065 56.9353 38.7457 175.9701 46 D 4.5147 7.9478 119.5321 57.0422 41.3268 177.7324 47 T 4.3243 7.9308 108.3232 62.4005 69.1501 176.4280 48 L 4.1828 7.9876 124.6225 58.2852 42.1901 178.9016 49 G 3.6402 8.1884 105.0349 47.7777 0.0000 175.3097 50 A 4.0185 8.0604 123.1318 54.7240 18.5489 179.1190 51 F 3.6436 8.5093 119.2696 61.8402 39.1803 177.3537 52 M 4.6317 8.2071 118.4483 58.0321 31.8173 178.7472 53 R 3.9343 7.7749 117.2227 58.5744 30.2971 177.8790 54 D 4.7729 7.4681 116.2797 53.4751 41.4440 176.1419 55 N 4.5714 7.2583 115.9936 50.9224 41.1400 174.1203 56 D 4.1699 8.2742 123.2453 53.9045 41.7339 177.9369 57 F 3.8738 8.0132 119.4315 59.8928 38.9743 176.5279 58 D 4.7175 7.9647 118.3957 53.4288 39.6976 176.1988 59 T 4.2302 8.0329 118.3353 62.6471 69.0602 172.7523 60 P 4.7676 0.0000 0.0000 62.6692 32.7969 175.3700 61 V 4.8583 8.9453 124.0867 61.3757 34.5414 173.8133 62 M 5.2216 9.2417 127.8392 53.6575 34.7302 174.8329 63 V 4.6485 8.8435 124.0814 61.3891 33.8683 174.2039 64 M 4.8387 8.8823 127.5538 54.2908 35.4611 175.6293 *66 Y 4.7486 8.3788 119.2499 58.1318 40.3334 176.7209 67 H 5.1316 8.5453 109.4887 55.2028 31.9104 173.9820 68 G 4.0989 8.7459 107.7066 45.6347 0.0000 174.5353 69 N 4.7139 8.1284 117.0370 55.4416 39.4407 177.4094 70 S 4.2911 7.9931 115.0270 60.9568 63.2498 176.2007 71 S 4.1224 8.0973 117.7348 60.9257 62.6160 176.5673 72 K 3.5974 7.9671 122.2735 59.3611 31.8418 179.4908 73 G 3.5943 8.0116 105.2432 47.6748 0.0000 175.4327 74 A 3.9822 8.0583 122.9115 54.7375 18.3760 179.5208 75 A 3.7340 7.8795 119.5205 55.3035 18.3635 179.6241 76 Q 4.0220 7.7974 118.0126 59.4133 29.1630 177.7648 77 Y 4.2025 8.2159 120.6402 60.7973 38.8378 178.1775 78 L 4.0227 8.1513 119.8301 57.7625 41.7257 179.3631 79 L 4.6965 7.9633 120.2038 57.6075 41.3960 179.7481 80 Q 3.9765 7.9093 116.4388 58.7851 28.6645 178.3588 81 Q 4.0445 7.4368 117.5328 56.5495 28.9692 175.6971 82 G 2.5217 7.2228 108.1059 44.8297 0.0000 174.1237 83 Y 4.3624 7.9476 120.0697 58.3205 38.3580 176.4542 84 D 4.5441 8.6338 123.1479 54.9262 42.0911 176.6635 85 V 4.2276 7.6552 117.9014 60.7871 33.9287 173.9326 86 V 4.8334 7.8542 126.4732 61.0622 35.1231 173.4737 87 Y 5.4789 9.0933 124.3264 56.3020 42.0447 174.1974 88 S 5.1006 9.2043 116.7985 56.6980 65.4404 173.0130 89 I 4.7546 8.5537 128.4012 59.9032 37.8876 175.2618 90 D 4.6000 8.9907 128.8011 55.8634 41.4743 177.5894 91 G 3.9906 8.9762 111.8090 44.0939 0.0000 174.6215 92 G 4.1457 7.9129 108.2394 45.7992 0.0000 174.0438 93 F 4.2985 8.8407 118.7277 61.3491 39.4540 177.9494 94 E 3.8359 7.9667 116.8272 59.5198 29.3144 179.3135 95 A 3.9645 7.9475 120.1825 54.5918 18.3615 179.4363 96 W 3.9731 7.9992 126.7559 60.8234 30.6323 178.0520 97 Q 3.8555 7.6338 118.2904 58.9625 28.3960 177.9268 98 R 3.8816 7.4517 118.9480 59.3507 30.2143 178.0757 99 Q 3.7133 7.4360 116.4719 56.8774 30.0218 176.3072 100 F 4.8310 7.6393 117.9052 55.5716 39.3772 174.5806 101 P 4.1970 0.0000 0.0000 65.5534 31.6976 177.6690 102 A 4.3271 7.9842 119.2683 53.1122 19.2396 176.8003 103 E 4.9456 8.4395 116.8938 56.0462 29.3384 176.0815 104 V 4.9901 7.8692 117.8617 61.0669 34.5395 174.8833 105 A 4.6402 8.6358 128.6697 50.1863 22.3861 174.3873 106 Y 4.6021 8.0539 115.6552 57.1715 41.9739 176.9524 107 G 3.8130 9.1171 110.2559 44.5095 0.0000 174.0192 108 A 4.3711 8.4575 120.5085 52.5478 18.3909 177.5846 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 8.29 4.42 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 2 D 8.47 4.62 0.00 2.85 2.77 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 0.00 0.00 0.00 3 Q 7.51 4.56 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 4 F 8.06 5.02 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.82 4.81 0.00 2.24 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 2.22 2.24 0.00 6 C 8.80 5.30 0.00 2.96 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 7 I 8.94 4.89 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 0.94 0.00 0.00 8 N 8.57 5.07 0.00 3.01 3.04 0.00 0.00 6.01 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 9 V 8.34 3.91 2.41 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 1.12 0.00 0.00 0.94 0.00 0.00 10 A 8.16 4.23 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 11 D 8.84 4.22 0.00 2.80 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 12 A 8.25 3.98 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.81 4.21 0.00 2.83 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.15 3.92 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 15 K 8.19 4.09 0.00 1.97 1.82 0.00 1.44 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.53 7.81 16 L 8.08 3.91 0.00 1.90 1.83 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.01 3.94 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 18 E 8.15 4.19 0.00 2.17 1.98 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 2.34 2.47 0.00 19 K 7.84 3.91 0.00 1.91 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.53 7.81 20 E 8.46 4.29 0.00 2.10 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 2.32 2.26 0.00 21 A 7.59 4.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.82 4.40 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 0.70 0.00 0.00 1.06 0.00 0.00 23 L 8.38 5.15 0.00 1.67 1.44 0.87 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.86 4.96 1.90 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 0.36 0.00 0.00 0.77 0.00 0.00 25 D 9.09 5.28 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.12 4.75 1.74 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 1.31 1.60 0.80 0.00 0.00 27 R 8.00 3.80 0.00 1.69 1.51 0.00 2.79 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 28 D 8.57 4.60 0.00 2.94 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 29 P 0.00 4.05 0.00 2.25 2.27 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 30 Q 8.07 3.98 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 31 S 8.60 4.15 0.00 4.06 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 32 F 8.37 3.97 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.23 4.35 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 34 M 8.07 4.52 0.00 2.07 2.28 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 2.67 2.88 0.00 35 G 5.82 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 36 H 7.54 4.35 0.00 2.62 2.29 0.00 5.27 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 37 A 8.28 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.03 3.80 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 0.80 0.00 0.00 1.01 0.00 0.00 39 Q 9.01 3.77 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 40 A 7.89 4.38 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 41 F 9.15 4.53 0.00 3.19 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.73 4.26 0.00 1.40 2.29 0.00 5.77 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.34 4.61 0.00 1.70 1.30 0.74 -0.06 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 44 T 8.47 4.68 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 0.84 0.00 0.00 45 N 8.61 4.28 0.00 2.62 2.84 0.00 0.00 6.97 8.47 0.00 0.00 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 D 7.95 4.51 0.00 2.64 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 47 T 7.93 4.32 4.39 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 1.07 0.00 0.00 48 L 7.99 4.18 0.00 2.03 1.95 1.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.19 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 50 A 8.06 4.02 1.46 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 0.00 0.00 0.00 0.00 0.00 51 F 8.51 3.64 0.00 3.16 3.26 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 52 M 8.21 4.63 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.92 0.00 53 R 7.77 3.93 0.00 1.89 1.92 0.00 3.12 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 1.61 1.82 0.00 54 D 7.47 4.77 0.00 2.37 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 55 N 7.26 4.57 0.00 1.85 2.35 0.00 0.00 6.98 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 56 D 8.27 4.17 0.00 2.68 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 0.00 0.00 0.00 57 F 8.01 3.87 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.96 4.72 0.00 2.79 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 59 T 8.03 4.23 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 1.23 0.00 0.00 60 P 0.00 4.77 0.00 2.34 2.22 0.00 3.68 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 2.35 2.18 0.00 61 V 8.95 4.86 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 0.95 0.00 0.00 0.97 0.00 0.00 62 M 9.24 5.22 0.00 2.04 1.98 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 2.65 2.58 0.00 63 V 8.84 4.65 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 0.83 0.00 0.00 0.81 0.00 0.00 64 M 8.88 4.84 0.00 2.03 1.81 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 2.55 2.53 0.00 *66 Y 8.38 4.75 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.55 5.13 0.00 3.18 3.33 0.00 5.85 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 68 G 8.75 4.10 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 0.00 0.00 0.00 69 N 8.13 4.71 0.00 2.83 2.91 0.00 0.00 6.82 7.08 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 70 S 7.99 4.29 0.00 4.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.10 4.12 0.00 4.11 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 72 K 7.97 3.60 0.00 2.02 2.06 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.65 1.66 7.81 73 G 8.01 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.06 3.98 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 75 A 7.88 3.73 0.70 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 0.00 0.00 76 Q 7.80 4.02 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 77 Y 8.22 4.20 0.00 3.18 3.13 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 78 L 8.15 4.02 0.00 1.86 1.69 0.67 0.48 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 79 L 7.96 4.70 0.00 1.94 1.75 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.91 3.98 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 81 Q 7.44 4.04 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 1.96 2.36 0.00 82 G 7.22 2.52 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 83 Y 7.95 4.36 0.00 3.26 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 84 D 8.63 4.54 0.00 2.72 2.77 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 0.00 0.00 0.00 85 V 7.66 4.23 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 1.04 0.00 0.00 0.96 0.00 0.00 86 V 7.85 4.83 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 0.94 0.00 0.00 0.97 0.00 0.00 87 Y 9.09 5.48 0.00 2.94 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 88 S 9.20 5.10 0.00 3.74 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 89 I 8.55 4.75 1.95 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 1.32 1.06 1.07 0.00 0.00 90 D 8.99 4.60 0.00 2.79 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 91 G 8.98 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 92 G 7.91 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 0.00 0.00 0.00 93 F 8.84 4.30 0.00 3.14 3.15 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 94 E 7.97 3.84 0.00 2.30 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 2.58 2.64 0.00 95 A 7.95 3.96 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 96 W 8.00 3.97 0.00 3.58 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 97 Q 7.63 3.86 0.00 1.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 98 R 7.45 3.88 0.00 1.87 1.94 0.00 3.21 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 1.49 1.57 0.00 99 Q 7.44 3.71 0.00 1.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.13 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 100 F 7.64 4.83 0.00 2.01 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 0.00 101 P 0.00 4.20 0.00 2.17 2.23 0.00 3.68 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 1.94 1.88 0.00 102 A 7.98 4.33 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 0.00 103 E 8.44 4.95 0.00 2.15 2.21 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 2.32 2.31 0.00 104 V 7.87 4.99 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 0.66 0.00 0.00 1.21 0.00 0.00 105 A 8.64 4.64 0.95 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 0.00 106 Y 8.05 4.60 0.00 2.88 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 0.00 107 G 9.12 3.81 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 0.00 0.00 0.00 108 A 8.46 4.37 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 * Residues marked with a * may have inaccurate shift predictions.