NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4842 8.1933 115.4146 58.6545 65.1157 175.8710 1 M 3.7297 7.8387 121.3256 56.2560 32.4784 177.1404 2 S 4.1575 8.8734 114.4209 61.1736 63.8567 175.4225 3 D 4.4320 7.8815 120.0039 56.6596 40.6643 177.9566 4 V 4.3772 7.3608 110.1328 60.6885 32.0119 175.8633 5 A 4.0640 7.5643 124.0567 52.2921 18.6818 177.6472 6 I 4.3942 8.1634 122.9396 60.8089 37.6257 176.2091 7 V 3.8647 8.8220 127.3274 65.4975 32.1041 176.3455 8 K 4.5887 7.7729 119.4994 55.2140 35.3403 174.2002 9 E 5.3395 8.4828 123.3960 54.4470 32.9068 174.4086 10 G 4.1827 7.8580 110.1357 45.9928 0.0000 171.7484 11 W 5.2244 8.8218 120.2103 56.8152 30.2522 175.6516 12 L 4.7283 9.3059 122.0595 55.7190 44.1211 173.2304 13 H 5.6132 9.0587 115.7274 54.0842 31.4062 174.0835 14 K 4.8465 9.3356 123.7765 54.5307 34.9101 174.8312 15 R 4.0973 8.5420 129.0078 55.2499 30.2372 176.4456 16 G 3.9298 8.5874 113.7432 45.9866 0.0000 174.4512 17 E 3.9729 8.7807 121.0095 58.1526 30.1023 177.3290 18 Y 4.3000 7.9998 113.3477 59.0081 40.2493 175.8690 19 I 4.1814 7.5360 123.5570 59.9505 36.8477 176.1975 20 K 4.5839 8.2870 130.7480 55.1198 31.7834 177.2462 21 T 4.2790 7.1648 109.4789 60.6519 71.6171 174.9879 22 W 5.0434 8.5274 122.9038 56.1604 30.1263 175.9050 23 R 4.9564 9.1328 124.8550 53.4443 32.4980 173.7223 24 P 5.0995 0.0000 0.0000 63.1283 32.2475 175.9481 25 R 5.1232 9.7453 121.8930 54.8639 35.3313 173.2663 26 Y 4.2433 8.6967 124.2601 56.2012 40.0761 174.3710 27 F 5.0070 8.6412 125.6786 55.5223 42.7441 174.3756 28 L 5.2930 8.9103 122.7979 53.4779 45.6129 174.5756 29 L 5.5200 9.5160 128.5653 53.4856 44.6414 175.2946 30 K 5.2339 8.9003 124.9482 54.4953 35.1276 177.0032 31 N 4.5619 8.7793 119.5901 55.7491 38.7075 175.7574 32 D 4.6235 7.9857 117.4083 53.3554 39.9374 177.8777 33 G 4.0410 8.8242 109.4007 45.3567 0.0000 173.5449 34 T 4.7261 8.2683 111.2541 61.4893 70.5610 173.8400 35 F 5.7051 9.6293 126.9452 56.7401 42.2118 173.1011 36 I 4.5805 8.9699 120.5295 58.7516 40.5100 174.8602 37 G 2.8981 7.7239 111.1513 44.0371 0.0000 171.2280 38 Y 4.9748 8.2093 117.8732 55.7167 41.9679 176.8189 39 K 4.0578 9.0855 123.7705 58.8270 32.7207 177.0035 40 E 4.9652 7.8261 116.0476 53.8373 32.1950 175.6530 41 R 3.1731 8.5932 122.7970 55.4698 30.4052 174.6834 42 P 4.3192 0.0000 0.0000 62.8910 31.7444 176.1624 43 Q 4.4699 9.1695 119.5634 55.4542 30.2398 175.0717 44 D 4.5775 7.2400 117.4100 51.3423 43.4341 176.0712 45 V 3.5975 8.1905 118.1899 66.0475 31.2380 177.3561 46 D 4.3768 8.0474 117.4788 57.5674 41.0964 178.3583 47 Q 4.1286 8.8750 118.9261 58.9018 28.4593 178.6897 48 R 3.8400 7.6858 118.8884 59.2531 30.1855 177.6425 49 E 4.3282 8.0267 115.4285 56.5570 30.9835 176.5725 50 A 4.7485 7.7022 121.0190 49.8890 18.8348 174.1899 51 P 3.8753 0.0000 0.0000 61.5976 32.7570 177.4563 52 L 4.0353 8.0117 121.9252 57.7435 42.5831 176.6199 53 N 4.8268 7.7477 115.5100 51.3339 42.0543 173.7695 54 N 4.7529 7.4355 120.4458 52.6714 41.5445 173.2695 55 F 5.5258 9.1966 124.6079 55.8708 43.6608 174.1502 56 S 5.2610 8.9043 115.8703 57.1300 65.1546 174.6906 57 V 4.0789 9.0324 117.3289 60.8729 31.7606 175.8174 58 A 4.1547 7.9825 123.5620 54.0146 18.4015 177.4901 59 Q 3.5618 8.8858 120.1116 56.8076 26.5039 173.6779 60 C 4.6500 7.8617 112.2428 58.4664 30.7799 172.5863 61 Q 4.7530 8.9310 118.7940 54.2136 31.2583 174.8348 62 L 5.1643 8.4683 121.8006 53.3348 44.6888 175.6517 63 M 4.8066 9.2430 124.0877 53.3875 35.1438 174.8696 64 K 5.1898 8.7631 123.0023 55.2410 33.9237 175.7987 65 T 4.8376 9.0716 114.0859 60.1138 72.7471 174.0895 66 E 4.9153 8.9290 118.4893 55.9197 30.9180 176.2094 67 R 4.7997 7.7516 117.6145 53.7050 33.4491 173.8109 68 P 4.5322 0.0000 0.0000 64.2755 32.0482 176.3556 69 R 4.7407 7.7160 116.8123 53.2342 33.4659 173.3956 70 P 4.5024 0.0000 0.0000 64.3365 31.7263 175.6740 71 N 4.3803 9.0018 115.6263 54.8044 36.4812 174.3660 72 T 4.8270 7.6248 114.3690 62.9511 70.5087 174.0509 73 F 5.5415 9.1712 118.7097 55.3593 41.9635 173.3489 74 I 4.9931 9.1592 121.5544 59.6458 40.3934 174.1270 75 I 4.7658 8.8072 127.3605 59.4429 40.0730 173.9603 76 R 5.1712 8.9169 130.4764 54.8388 32.0100 174.4628 77 C 5.1482 9.0339 120.4969 56.8859 34.1267 172.1866 78 L 4.8475 8.4646 121.2073 53.7415 43.0212 175.5698 79 Q 4.4981 9.3639 128.5520 54.4430 29.8495 176.0008 80 W 4.1232 9.2848 135.0000 57.7587 30.0855 174.2484 81 T 4.2930 8.7089 103.9256 61.0870 70.1374 174.2346 82 T 4.5434 8.1049 120.0685 61.7617 70.5995 173.4974 83 V 4.4281 8.3396 126.8963 62.7439 32.3352 174.9651 84 I 4.8030 9.0344 120.6794 59.1321 41.3867 173.8469 85 E 5.1730 8.6155 121.2336 54.7079 32.6905 175.7147 86 R 4.4534 8.7685 121.3592 54.5865 34.6561 174.1979 87 T 4.8053 7.7758 118.5063 61.7617 71.4818 173.2227 88 F 5.3517 8.9112 123.7697 56.0029 43.7643 173.3196 89 H 5.2115 9.2672 119.8480 54.8173 33.3044 172.5320 90 V 4.8055 7.8757 116.8406 59.7515 35.4246 175.4534 91 E 4.3150 8.9462 119.6704 57.6882 30.1435 177.3378 92 T 4.7790 7.3199 108.4548 58.3539 73.3145 172.9946 93 P 4.3620 0.0000 0.0000 66.0564 31.3804 178.6358 94 E 3.9362 8.1142 118.0637 59.3279 29.4281 178.9432 95 E 4.1632 8.0352 118.8042 59.2682 29.4313 179.3047 96 R 3.8637 8.0524 118.8793 59.4261 30.0819 178.1738 97 E 3.8326 8.3652 119.2069 59.2164 29.6182 178.5162 98 E 3.8274 8.1947 118.5878 59.2229 29.4811 179.5318 99 W 3.9517 7.9235 118.7275 60.1054 29.0691 178.8870 100 T 3.6671 7.8638 115.9465 66.7736 67.7120 177.0501 101 T 3.7884 8.1881 117.8822 66.3025 68.4490 176.5964 102 A 3.9045 7.9475 122.7056 55.2502 18.3382 179.7376 103 I 3.5676 7.8039 118.2955 64.5635 37.1218 178.4738 104 Q 3.9073 8.2318 120.5263 59.4284 28.8677 178.4022 105 T 3.8406 8.1796 117.1200 66.5616 68.4989 176.7537 106 V 3.5672 7.8749 119.8437 65.9498 31.6051 177.8579 107 A 4.0191 8.2002 120.6781 55.3769 18.1795 179.3157 108 D 4.4262 8.6259 117.9305 57.4639 40.8395 179.3399 109 G 3.5925 8.2328 106.2574 47.7402 0.0000 175.8185 110 L 4.0283 8.0416 121.4405 57.4128 41.5721 179.5608 111 K 3.9698 8.2342 119.7067 59.2366 32.1573 178.8058 112 K 4.2427 8.2031 121.4480 58.9763 31.8733 178.3762 113 Q 3.9743 8.0230 118.9652 59.2886 28.9798 177.8230 114 E 4.0825 7.8918 119.2148 59.4044 29.8669 178.4066 115 E 4.1193 8.3683 118.6834 58.1919 29.3872 177.3217 116 E 4.1490 7.4786 119.8860 56.0347 30.7798 177.0483 *117 E 4.1515 8.4819 114.9931 56.3680 30.4852 175.9735 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 0 S 8.19 4.48 0.00 4.03 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 1 M 7.84 3.73 0.00 2.16 2.15 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 2.69 2.54 0.00 2 S 8.87 4.16 0.00 3.86 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 3 D 7.88 4.43 0.00 2.92 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 4 V 7.36 4.38 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 0.69 0.00 0.00 1.01 0.00 0.00 5 A 7.56 4.06 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 6 I 8.16 4.39 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 1.05 0.00 0.00 7 V 8.82 3.86 2.20 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 0.65 0.00 0.00 1.00 0.00 0.00 8 K 7.77 4.59 0.00 1.51 1.14 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.36 0.89 7.81 9 E 8.48 5.34 0.00 2.08 1.95 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 2.23 2.44 0.00 10 G 7.86 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 0.00 0.00 0.00 0.00 11 W 8.82 5.22 0.00 3.34 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 12 L 9.31 4.73 0.00 1.92 1.81 1.10 0.34 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 13 H 9.06 5.61 0.00 3.06 3.55 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.34 4.85 0.00 1.90 1.75 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.17 0.70 7.81 15 R 8.54 4.10 0.00 0.67 1.19 0.00 2.21 0.00 0.00 2.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.65 0.00 16 G 8.59 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 0.00 0.00 0.00 17 E 8.78 3.97 0.00 1.90 1.53 0.00 0.00 0.00 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 2.21 0.00 18 Y 8.00 4.30 0.00 2.90 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 19 I 7.54 4.18 1.88 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 1.43 1.42 0.90 0.00 0.00 20 K 8.29 4.58 0.00 1.58 1.52 0.00 1.67 0.00 0.00 1.19 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.43 7.81 21 T 7.16 4.28 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 1.19 0.00 0.00 22 W 8.53 5.04 0.00 3.14 3.08 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 0.00 0.00 0.00 23 R 9.13 4.96 0.00 1.92 1.93 0.00 3.16 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 24 P 0.00 5.10 0.00 2.22 2.11 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 25 R 9.75 5.12 0.00 2.15 2.03 0.00 3.38 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 1.98 2.06 0.00 26 Y 8.70 4.24 0.00 1.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 5.01 0.00 2.63 2.47 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 0.00 0.00 0.00 0.00 28 L 8.91 5.29 0.00 1.85 1.61 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.52 5.52 0.00 2.33 1.91 1.02 0.44 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 30 K 8.90 5.23 0.00 1.95 1.72 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 31 N 8.78 4.56 0.00 2.87 2.91 0.00 0.00 6.96 8.15 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 32 D 7.99 4.62 0.00 2.65 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 33 G 8.82 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 34 T 8.27 4.73 4.31 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 1.31 0.00 0.00 35 F 9.63 5.71 0.00 3.17 3.20 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 36 I 8.97 4.58 1.42 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 1.08 0.93 0.82 0.00 0.00 37 G 7.72 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 0.00 0.00 0.00 38 Y 8.21 4.97 0.00 2.72 2.76 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 39 K 9.09 4.06 0.00 1.78 1.92 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.57 7.81 40 E 7.83 4.97 0.00 1.98 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 2.28 2.25 0.00 41 R 8.59 3.17 0.00 1.14 1.65 0.00 2.67 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 42 P 0.00 4.32 0.00 1.66 1.57 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 43 Q 9.17 4.47 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 44 D 7.24 4.58 0.00 2.87 2.71 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 45 V 8.19 3.60 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 1.06 0.00 0.00 0.92 0.00 0.00 46 D 8.05 4.38 0.00 2.81 2.71 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 47 Q 8.87 4.13 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 48 R 7.69 3.84 0.00 1.71 2.12 0.00 3.24 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 49 E 8.03 4.33 0.00 2.14 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 2.36 2.41 0.00 50 A 7.70 4.75 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 51 P 0.00 3.88 0.00 1.78 1.08 0.00 3.77 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 1.75 1.72 0.00 52 L 8.01 4.04 0.00 1.57 1.69 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.75 4.83 0.00 2.34 2.37 0.00 0.00 6.47 6.54 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 54 N 7.44 4.75 0.00 2.41 2.43 0.00 0.00 6.83 7.02 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 55 F 9.20 5.53 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 56 S 8.90 5.26 0.00 3.84 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 57 V 9.03 4.08 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 0.73 0.00 0.00 0.98 0.00 0.00 58 A 7.98 4.15 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 59 Q 8.89 3.56 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 60 C 7.86 4.65 0.00 3.14 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 61 Q 8.93 4.75 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 62 L 8.47 5.16 0.00 1.46 1.54 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 M 9.24 4.81 0.00 1.95 1.97 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 2.52 2.49 0.00 64 K 8.76 5.19 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 65 T 9.07 4.84 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 1.25 0.00 0.00 66 E 8.93 4.92 0.00 1.96 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 2.22 2.25 0.00 67 R 7.75 4.80 0.00 1.77 1.81 0.00 3.39 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 68 P 0.00 4.53 0.00 2.32 2.23 0.00 3.97 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 2.46 2.06 0.00 69 R 7.72 4.74 0.00 1.67 1.70 0.00 2.68 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 70 P 0.00 4.50 0.00 2.06 2.02 0.00 3.78 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 2.04 2.14 0.00 71 N 9.00 4.38 0.00 2.97 2.96 0.00 0.00 7.21 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 72 T 7.62 4.83 4.52 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 1.46 0.00 0.00 73 F 9.17 5.54 0.00 3.11 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 74 I 9.16 4.99 1.91 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 1.09 0.89 0.89 0.00 0.00 75 I 8.81 4.77 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.56 0.98 0.00 0.00 76 R 8.92 5.17 0.00 1.89 1.76 0.00 3.11 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 77 C 9.03 5.15 0.00 3.18 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 78 L 8.46 4.85 0.00 1.67 1.65 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.36 4.50 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.65 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 80 W 9.28 4.12 0.00 3.49 2.96 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 81 T 8.71 4.29 3.94 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 0.02 0.00 0.00 82 T 8.10 4.54 4.32 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 1.25 0.00 0.00 83 V 8.34 4.43 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 0.79 0.00 0.00 0.92 0.00 0.00 84 I 9.03 4.80 1.87 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 1.40 0.51 0.98 0.00 0.00 85 E 8.62 5.17 0.00 1.74 1.78 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 2.16 2.25 0.00 86 R 8.77 4.45 0.00 1.42 1.17 0.00 3.08 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.00 87 T 7.78 4.81 3.91 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 1.18 0.00 0.00 88 F 8.91 5.35 0.00 1.51 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 0.00 0.00 0.00 0.00 89 H 9.27 5.21 0.00 2.03 2.23 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.88 4.81 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 1.01 0.00 0.00 1.17 0.00 0.00 91 E 8.95 4.32 0.00 1.98 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 2.32 2.27 0.00 92 T 7.32 4.78 4.46 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 1.26 0.00 0.00 93 P 0.00 4.36 0.00 2.29 2.43 0.00 3.71 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 2.08 2.06 0.00 94 E 8.11 3.94 0.00 2.07 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 2.39 2.45 0.00 95 E 8.04 4.16 0.00 2.17 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 0.00 2.36 2.34 0.00 96 R 8.05 3.86 0.00 1.99 2.10 0.00 3.34 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 97 E 8.37 3.83 0.00 2.21 1.97 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 2.27 2.34 0.00 98 E 8.19 3.83 0.00 2.06 1.73 0.00 0.00 0.00 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 2.46 0.00 99 W 7.92 3.95 0.00 3.09 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 3.67 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 1.12 0.00 0.00 101 T 8.19 3.79 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 1.15 0.00 0.00 102 A 7.95 3.90 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 0.00 103 I 7.80 3.57 1.72 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.63 0.74 0.00 0.00 104 Q 8.23 3.91 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 105 T 8.18 3.84 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 106 V 7.87 3.57 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 1.13 0.00 0.00 0.98 0.00 0.00 107 A 8.20 4.02 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 0.00 108 D 8.63 4.43 0.00 2.82 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 0.00 109 G 8.23 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 0.00 110 L 8.04 4.03 0.00 1.90 1.75 0.96 0.47 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 0.00 111 K 8.23 3.97 0.00 1.88 1.94 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.68 7.81 112 K 8.20 4.24 0.00 1.86 1.93 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.31 7.81 113 Q 8.02 3.97 0.00 2.08 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 114 E 7.89 4.08 0.00 2.19 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 2.33 2.36 0.00 115 E 8.37 4.12 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 2.33 2.54 0.00 116 E 7.48 4.15 0.00 1.98 1.89 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 2.33 2.62 0.00 *117 E 8.48 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.