NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6382 8.3649 120.3209 52.7542 41.0618 175.3451 3 S 4.0681 8.3075 115.6531 59.8016 63.2887 172.3287 4 T 5.1235 8.2021 120.5760 61.7660 72.5415 173.3773 5 V 4.7898 8.7580 123.0258 60.1600 35.1434 174.2606 6 Q 5.2345 8.5926 118.6578 55.2507 32.0813 173.5993 7 T 4.7812 8.8762 113.2654 60.8391 71.3236 172.8295 8 S 5.1604 8.6539 121.6012 57.1852 65.7605 173.5021 9 I 4.7352 8.1754 120.8758 59.8558 40.7854 174.7510 10 S 5.2477 8.8327 121.6336 56.7545 66.1920 173.5487 11 V 4.5749 8.7784 121.5176 61.1150 35.3325 173.6220 12 E 5.0574 8.8167 126.9917 54.3893 32.4117 173.8569 13 N 5.4146 9.1616 125.7293 51.9668 41.6363 173.5354 14 V 4.6438 8.7535 125.1107 61.2701 34.3841 174.2147 15 L 4.7843 8.7986 128.3715 53.1249 43.2162 177.0423 16 E 4.0458 9.0109 121.3393 58.9066 29.9999 177.6074 17 R 4.4419 7.8534 118.7915 54.3198 31.5322 175.8823 18 A 3.9858 9.0492 129.1981 55.5990 18.2212 178.6574 19 G 3.8042 7.9462 100.4239 45.9504 0.0000 173.2211 20 D 4.4513 8.2257 121.9694 54.5981 41.3290 176.4258 21 S 4.7852 8.4544 121.2286 58.0500 63.6860 173.9741 22 T 3.8374 7.9658 118.3168 64.2390 68.9601 171.9065 23 P 5.0888 0.0000 0.0000 62.0840 32.6666 175.5100 24 F 4.7759 9.1653 120.9322 55.8527 43.5439 173.9446 25 S 5.2958 8.6446 116.7482 56.9003 66.0565 173.2253 26 V 4.6997 8.8117 122.1831 61.0521 35.0849 173.9849 27 A 5.1585 8.6565 128.8655 49.9862 22.2061 174.7927 28 L 4.7637 8.5934 123.0584 53.0447 44.4777 174.8551 29 E 5.1231 9.1243 126.8282 54.3434 33.3885 174.2718 30 S 4.2585 9.0872 122.2679 57.9252 62.7547 175.0653 31 I 3.8023 8.6466 129.1471 64.4706 37.2474 178.3014 32 D 4.2655 8.0049 118.7982 56.6603 40.7478 176.8942 33 A 4.3474 7.9388 119.3652 51.6324 20.2248 176.3204 34 M 3.3022 7.3634 114.7163 55.5469 30.1656 177.0284 35 K 4.6766 7.9172 118.3187 54.9470 36.7571 176.1785 36 T 4.2465 8.6525 124.2376 64.2396 68.5084 174.2094 37 I 4.1215 8.9833 128.0564 63.4684 38.0903 175.7176 38 E 4.8182 7.5687 119.5855 55.4151 32.9201 173.5723 39 E 5.4825 8.8604 122.7389 54.5810 33.2376 174.9918 40 I 4.7327 8.8261 115.9562 59.3908 41.6559 174.0905 41 T 5.0810 8.3314 118.2512 61.8042 71.8018 173.5005 42 I 4.4762 8.8174 126.2570 59.3447 40.3402 174.6546 43 A 4.3341 8.8174 129.6286 51.4735 18.3243 178.0182 44 G 3.9481 8.8513 113.4273 47.5133 0.0000 172.5755 45 S 4.5890 8.7191 119.6718 57.2478 64.0342 174.3689 46 G 4.0423 7.5487 110.6106 46.5197 0.0000 170.8939 47 K 5.3333 8.2518 117.8672 54.7210 35.5372 175.9645 48 A 4.6458 8.7962 123.2516 50.9534 23.0578 175.2165 49 S 5.0791 8.2269 114.7784 56.4546 65.7494 174.4559 50 F 4.3968 8.5832 121.8836 57.0629 39.5922 175.7122 51 S 4.3125 9.4442 117.3214 57.8914 63.2140 173.0200 52 P 4.5886 0.0000 0.0000 63.0304 32.0649 175.8161 53 L 4.3537 8.8147 124.1605 54.0779 43.0060 175.9289 54 T 5.0420 7.8759 113.0735 59.9769 71.6054 173.3082 55 F 4.9216 9.2085 121.1674 56.1820 43.6865 175.2159 56 T 4.8577 8.7957 109.1338 61.2629 69.7435 173.7350 57 T 4.7297 7.6902 111.2518 59.8266 71.7030 174.1678 58 V 3.7283 8.2845 117.2097 60.6292 32.3640 176.2490 59 G 3.8828 6.9840 110.3748 45.1846 0.0000 170.7311 60 Q 4.9426 7.4710 118.0473 54.0606 31.2343 175.2732 61 Y 4.9247 9.0122 121.2159 56.4918 41.6864 174.5182 62 T 5.1617 9.3130 120.9711 62.1155 71.5641 173.0866 63 Y 5.4474 9.3349 122.7411 56.3457 43.1419 174.1228 64 R 5.3477 9.3642 116.2127 54.7446 33.6113 174.3265 65 V 5.4210 9.4880 120.0133 60.4509 34.9260 173.8968 66 Y 5.4745 8.1463 123.8856 56.0509 41.8261 172.8488 67 Q 4.5037 8.2665 121.2087 54.3166 30.2222 175.4850 68 K 4.4336 8.8150 126.2813 55.4401 32.9861 175.3494 69 P 4.3708 0.0000 0.0000 62.7917 31.8753 176.4659 70 S 4.2257 8.5291 116.1752 58.5003 62.8485 174.3715 71 Q 4.0566 8.3772 125.7910 57.2255 29.2828 175.2062 72 N 4.7145 7.6878 120.6153 52.0925 39.5220 176.3287 *73 K 4.0322 8.7794 127.8910 57.6865 32.0096 173.8883 74 D 4.6235 8.9811 116.3240 55.9964 40.9606 175.1150 75 Y 5.2939 8.0695 116.2001 56.0866 42.3208 174.5582 76 Q 4.7803 9.1401 122.6204 53.9923 31.3589 174.8641 77 A 4.5549 8.9725 128.3985 52.0113 19.4036 176.4252 78 D 4.4218 9.0265 121.4020 54.7294 41.5551 176.4174 79 T 4.4588 8.5212 115.6965 61.8033 69.5168 175.0675 80 T 3.9582 8.5515 120.3438 64.1337 69.1130 173.4157 81 V 4.7634 8.2388 124.7678 61.2526 34.4421 173.9081 82 F 5.2054 9.5323 126.3212 55.9322 41.4954 174.5246 83 D 5.2645 9.1466 123.6820 53.6462 42.6895 175.6788 84 V 4.7279 8.9866 121.9613 61.0647 35.1680 173.6818 85 L 5.2415 9.0755 129.6780 53.2673 44.8961 174.8195 86 V 4.8717 9.2069 126.6611 61.3193 34.0600 173.3267 87 Y 5.2260 9.3117 129.7857 55.9578 41.1426 174.1158 88 V 4.5916 8.5509 127.8326 61.5535 33.7758 174.7397 89 T 4.5254 8.0793 117.3256 60.8946 72.3539 171.5547 90 Y 5.1948 8.2819 118.1900 56.9013 40.2023 176.1745 91 D 4.8154 8.9017 123.2984 52.0314 41.8799 176.7821 92 E 3.9847 8.7484 117.6652 59.3370 29.4155 177.5996 93 D 4.5879 8.3374 116.0545 53.0046 39.7567 177.1758 94 G 3.8560 8.4529 108.3922 45.6078 0.0000 173.5043 95 T 4.7707 8.0829 110.0630 59.6104 71.5356 174.3324 96 L 4.5960 8.5297 122.5828 55.3310 42.6674 177.0252 97 V 4.5898 8.8330 114.6656 59.6970 36.4708 173.8613 98 A 5.1458 8.6391 125.4940 50.0864 21.1649 175.7103 99 K 4.7059 9.1202 122.2895 54.5090 35.6890 175.5412 100 V 5.0971 8.4431 123.0214 61.0871 34.3787 174.4537 101 I 4.9341 8.7034 120.4377 59.2156 41.2165 174.3758 102 S 5.3836 8.4026 116.6770 57.2952 66.7890 172.6065 103 R 5.0289 8.8631 116.2521 55.0511 33.3058 174.2972 104 R 3.7466 7.9658 116.7342 55.7549 31.1965 176.3006 105 A 4.3652 7.7461 125.7051 53.3764 18.2566 175.8396 106 G 4.1485 9.2154 111.6461 46.0049 0.0000 174.0641 107 D 4.5189 7.3226 117.6999 54.5002 41.5300 176.3871 108 E 4.2816 8.6240 120.0279 58.6235 30.3544 177.3520 109 E 4.3220 7.7806 116.0192 55.4018 30.4808 176.7404 110 K 4.4493 8.2977 120.7704 56.8457 32.8872 176.4520 111 S 4.8195 8.3971 114.5479 56.8040 66.1633 173.8433 112 A 4.1156 8.4867 122.6902 51.9708 19.4019 177.5276 113 I 2.2552 7.9223 121.3903 60.8734 37.9612 175.3015 114 T 4.9044 6.9705 122.9809 61.6851 72.4351 173.5416 115 F 5.1455 9.2442 124.0920 55.8087 42.7041 174.6197 116 K 5.1576 9.2279 121.1543 52.5301 32.1358 174.3230 117 P 4.5683 0.0000 0.0000 62.3254 32.6554 175.4892 118 K 4.7435 8.6811 121.1561 54.4244 35.1531 175.9843 119 R 3.9426 9.0423 124.4797 56.0631 30.6011 176.3836 120 L 4.0918 8.4303 125.3724 53.8578 42.0294 178.9490 121 V 3.7728 7.8665 122.0143 59.3722 30.2905 175.9207 *123 P 4.1242 0.0000 0.0000 62.5480 31.6237 176.3730 124 I 4.0822 7.9144 125.3476 60.0289 38.0972 174.7232 125 P 4.3778 0.0000 0.0000 61.6990 31.8152 174.6994 126 P 4.4800 0.0000 0.0000 62.2412 32.0697 176.3020 127 R 4.1390 8.1549 118.1444 56.2726 30.6681 176.5409 128 Q 4.4011 8.1421 118.3290 54.3370 29.9685 174.4952 129 P 4.3646 0.0000 0.0000 62.8213 32.0691 175.6001 130 D 4.3799 7.8042 118.1540 53.1522 43.8062 175.3094 131 F 4.4566 8.4849 123.7794 57.1098 39.7614 173.7589 132 P 4.7615 0.0000 0.0000 62.9783 31.3342 176.1703 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 D 8.36 4.64 0.00 2.81 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 3 S 8.31 4.07 0.00 4.03 3.90 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 4 T 8.20 5.12 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 1.28 0.00 0.00 5 V 8.76 4.79 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 1.08 0.00 0.00 0.96 0.00 0.00 6 Q 8.59 5.23 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 7 T 8.88 4.78 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 1.31 0.00 0.00 8 S 8.65 5.16 0.00 3.79 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 9 I 8.18 4.74 2.03 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 1.34 0.71 1.02 0.00 0.00 10 S 8.83 5.25 0.00 3.68 3.69 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 11 V 8.78 4.57 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 1.12 0.00 0.00 1.06 0.00 0.00 12 E 8.82 5.06 0.00 2.00 1.66 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 2.16 2.31 0.00 13 N 9.16 5.41 0.00 2.88 2.77 0.00 0.00 6.28 7.27 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 14 V 8.75 4.64 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 0.92 0.00 0.00 0.91 0.00 0.00 15 L 8.80 4.78 0.00 1.56 1.65 1.05 0.71 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 16 E 9.01 4.05 0.00 2.01 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 2.34 2.34 0.00 17 R 7.85 4.44 0.00 1.88 1.86 0.00 3.20 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 18 A 9.05 3.99 1.31 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 0.00 0.00 19 G 7.95 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 0.00 0.00 0.00 20 D 8.23 4.45 0.00 2.87 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 S 8.45 4.79 0.00 3.97 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 22 T 7.97 3.84 3.92 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 0.45 0.00 0.00 23 P 0.00 5.09 0.00 1.78 1.88 0.00 3.32 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 24 F 9.17 4.78 0.00 2.82 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 25 S 8.64 5.30 0.00 3.73 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 26 V 8.81 4.70 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 1.28 0.00 0.00 0.71 0.00 0.00 27 A 8.66 5.16 0.69 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 0.00 0.00 28 L 8.59 4.76 0.00 0.27 0.66 0.61 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.12 5.12 0.00 2.21 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 2.27 2.43 0.00 30 S 9.09 4.26 0.00 3.94 3.71 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 0.00 0.00 0.00 0.00 31 I 8.65 3.80 1.90 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 1.30 1.02 0.89 0.00 0.00 32 D 8.00 4.27 0.00 2.65 2.74 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 33 A 7.94 4.35 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 34 M 7.36 3.30 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 35 K 7.92 4.68 0.00 1.90 1.60 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 36 T 8.65 4.25 4.28 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 1.23 0.00 0.00 37 I 8.98 4.12 1.86 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 1.21 0.91 0.87 0.00 0.00 38 E 7.57 4.82 0.00 2.03 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 0.00 2.42 2.37 0.00 39 E 8.86 5.48 0.00 1.85 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 0.00 2.18 2.28 0.00 40 I 8.83 4.73 1.68 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 0.73 1.03 0.75 0.00 0.00 41 T 8.33 5.08 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 1.22 0.00 0.00 42 I 8.82 4.48 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.95 0.00 0.00 43 A 8.82 4.33 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 44 G 8.85 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 45 S 8.72 4.59 0.00 3.78 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 46 G 7.55 4.04 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 0.00 0.00 0.00 47 K 8.25 5.33 0.00 1.56 1.63 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.37 7.81 48 A 8.80 4.65 1.06 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 49 S 8.23 5.08 0.00 3.68 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 50 F 8.58 4.40 0.00 2.92 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 51 S 9.44 4.31 0.00 3.84 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 52 P 0.00 4.59 0.00 1.90 1.98 0.00 3.65 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 2.02 2.12 0.00 53 L 8.81 4.35 0.00 1.59 1.20 0.36 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.88 5.04 4.12 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 0.00 0.00 1.12 0.00 0.00 55 F 9.21 4.92 0.00 2.84 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 56 T 8.80 4.86 4.28 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 1.22 0.00 0.00 57 T 7.69 4.73 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 1.28 0.00 0.00 58 V 8.28 3.73 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 0.04 0.00 0.00 0.90 0.00 0.00 59 G 6.98 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 0.00 0.00 0.00 60 Q 7.47 4.94 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.63 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 61 Y 9.01 4.92 0.00 3.08 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 62 T 9.31 5.16 4.18 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 1.22 0.00 0.00 63 Y 9.33 5.45 0.00 2.86 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 64 R 9.36 5.35 0.00 2.07 2.10 0.00 2.81 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 65 V 9.49 5.42 2.34 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 1.66 0.00 0.00 0.97 0.00 0.00 66 Y 8.15 5.47 0.00 3.18 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 67 Q 8.27 4.50 0.00 0.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 68 K 8.82 4.43 0.00 1.66 1.77 0.00 1.94 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.56 7.81 69 P 0.00 4.37 0.00 2.07 2.05 0.00 3.74 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 2.08 2.14 0.00 70 S 8.53 4.23 0.00 4.11 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 0.00 71 Q 8.38 4.06 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 72 N 7.69 4.71 0.00 2.51 2.61 0.00 0.00 7.12 6.16 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 *73 K 8.78 4.03 0.00 1.81 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 74 D 8.98 4.62 0.00 2.92 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 75 Y 8.07 5.29 0.00 2.99 3.14 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 76 Q 9.14 4.78 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 77 A 8.97 4.55 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 78 D 9.03 4.42 0.00 2.81 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 79 T 8.52 4.46 4.28 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 1.31 0.00 0.00 80 T 8.55 3.96 4.50 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 0.79 0.00 0.00 81 V 8.24 4.76 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 1.23 0.00 0.00 1.00 0.00 0.00 82 F 9.53 5.21 0.00 3.18 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 83 D 9.15 5.26 0.00 2.65 2.64 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 84 V 8.99 4.73 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 1.08 0.00 0.00 1.04 0.00 0.00 85 L 9.08 5.24 0.00 1.74 1.51 0.91 0.77 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 86 V 9.21 4.87 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 0.80 0.00 0.00 1.06 0.00 0.00 87 Y 9.31 5.23 0.00 2.88 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 88 V 8.55 4.59 2.03 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 0.77 0.00 0.00 0.45 0.00 0.00 89 T 8.08 4.53 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 0.04 0.00 0.00 90 Y 8.28 5.19 0.00 2.89 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 91 D 8.90 4.82 0.00 2.89 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 92 E 8.75 3.98 0.00 1.99 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 0.00 2.33 2.32 0.00 93 D 8.34 4.59 0.00 2.76 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 94 G 8.45 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 0.00 0.00 0.00 95 T 8.08 4.77 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 1.25 0.00 0.00 96 L 8.53 4.60 0.00 1.57 1.59 0.96 0.47 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 97 V 8.83 4.59 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 0.82 0.00 0.00 0.87 0.00 0.00 98 A 8.64 5.15 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 99 K 9.12 4.71 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 100 V 8.44 5.10 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 0.87 0.00 0.00 0.96 0.00 0.00 101 I 8.70 4.93 1.90 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 1.32 0.58 0.94 0.00 0.00 102 S 8.40 5.38 0.00 3.96 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 0.00 103 R 8.86 5.03 0.00 2.03 2.07 0.00 2.94 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 104 R 7.97 3.75 0.00 1.90 1.57 0.00 3.18 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 105 A 7.75 4.37 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 0.00 106 G 9.22 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 0.00 107 D 7.32 4.52 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.28 0.00 1.94 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 2.25 2.25 0.00 109 E 7.78 4.32 0.00 2.22 1.88 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 2.30 1.90 0.00 110 K 8.30 4.45 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.44 7.81 111 S 8.40 4.82 0.00 3.92 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 0.00 112 A 8.49 4.12 1.17 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 0.00 0.00 0.00 0.00 0.00 113 I 7.92 2.26 1.70 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 0.76 0.50 0.23 0.00 0.00 114 T 6.97 4.90 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 1.20 0.00 0.00 115 F 9.24 5.15 0.00 3.02 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 0.00 116 K 9.23 5.16 0.00 1.60 1.71 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.25 7.81 117 P 0.00 4.57 0.00 1.46 1.58 0.00 3.52 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.65 0.00 118 K 8.68 4.74 0.00 1.74 1.70 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 119 R 9.04 3.94 0.00 1.82 1.71 0.00 3.32 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.66 0.00 120 L 8.43 4.09 0.00 1.55 1.58 1.04 1.01 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 0.00 121 V 7.87 3.77 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 0.71 0.00 0.00 0.91 0.00 0.00 *123 P 0.00 4.12 0.00 2.19 2.14 0.00 3.74 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 1.87 1.98 0.00 124 I 7.91 4.08 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 1.41 0.41 0.91 0.00 0.00 125 P 0.00 4.38 0.00 2.03 1.97 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 126 P 0.00 4.48 0.00 2.16 2.04 0.00 3.76 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 1.97 1.97 0.00 127 R 8.15 4.14 0.00 1.81 1.90 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 128 Q 8.14 4.40 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 129 P 0.00 4.36 0.00 1.91 1.87 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 130 D 7.80 4.38 0.00 2.55 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 0.00 131 F 8.48 4.46 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 0.00 132 P 0.00 4.76 0.00 2.10 2.02 0.00 3.76 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 2.02 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.