NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6403 8.3649 119.5546 52.9943 41.9300 174.4876 2 K 4.4701 8.3142 119.7615 55.6403 33.4626 173.4075 3 A 4.7794 8.2247 121.7624 50.9411 22.8336 175.6143 4 T 4.4465 8.6354 115.3976 61.8272 72.8597 173.8498 5 I 4.2101 8.1545 125.9458 59.2331 37.1034 173.8287 6 P 4.1468 0.0000 0.0000 64.9738 31.5201 176.4643 7 S 4.6929 7.5408 110.4135 56.0882 64.8065 173.5294 8 E 4.2204 9.2123 129.0460 58.3727 29.7614 176.6756 9 S 4.9345 7.7608 110.8888 55.2479 65.6227 171.7187 10 P 4.8011 0.0000 0.0000 63.4173 31.8201 175.3735 11 F 5.2194 8.2573 116.3326 54.4062 41.9078 174.0033 12 A 4.3367 8.8318 121.0066 52.3692 18.8321 178.8791 13 A 3.9717 8.9886 124.9951 54.9199 18.6944 179.4452 14 A 4.1636 8.1173 117.2391 54.2365 18.4592 177.3172 15 E 4.5576 7.9956 115.5359 55.4989 29.7493 175.0814 16 V 4.4055 7.6751 116.6920 60.5381 33.4751 175.4356 17 A 4.2493 8.3384 129.4959 51.5263 19.1399 176.6258 18 D 4.5091 8.6629 121.4072 55.9093 41.3173 177.3147 19 G 3.8472 8.9104 108.8517 45.7297 0.0000 173.7798 20 A 4.0357 7.5242 122.0311 52.2859 19.0156 177.6333 21 I 4.0067 8.1779 121.3189 61.0692 38.1951 175.1985 22 V 4.7234 8.2660 126.9487 60.8909 34.3095 174.5886 23 V 4.2465 8.0301 127.8151 61.2852 33.0239 174.6559 24 D 5.1554 8.7215 128.0168 54.1994 42.7961 175.3778 25 I 5.0629 8.7548 122.1706 59.6779 40.2369 174.5499 26 A 4.6958 8.9274 126.6592 51.0598 23.1105 175.8463 27 K 4.1222 9.5323 117.2425 58.2991 29.7169 175.0964 28 M 3.2669 8.5678 111.4547 55.9849 30.6627 177.5350 29 K 4.5001 7.5766 114.7704 54.7296 35.7594 175.5870 30 Y 4.7607 8.1846 119.9308 57.9807 38.1654 176.4937 31 E 4.2103 9.2811 125.6392 58.5469 30.1667 177.6217 32 T 4.7610 7.5610 113.9489 60.7476 68.4559 172.7930 33 P 4.3465 0.0000 0.0000 64.4059 33.0996 175.8649 34 E 4.7834 7.8716 120.5568 54.4564 31.5982 173.8799 35 L 4.7410 8.8369 129.5562 53.4519 44.6296 174.4734 36 H 5.3839 8.8489 123.0654 54.3858 30.5996 174.0815 37 V 4.5996 8.8283 116.0476 59.6892 36.6862 174.3782 38 K 4.8310 9.0998 120.5779 54.4010 34.5303 176.8738 39 V 3.6671 8.4013 121.7711 65.1848 31.5743 176.3976 40 G 4.0465 9.3397 116.2187 45.1445 0.0000 173.5110 41 D 4.5829 8.5497 120.2568 54.8190 42.1882 175.4163 42 T 4.9366 8.4098 118.2424 62.0574 70.3359 173.9598 43 V 4.2829 9.1031 127.1634 61.5427 34.0358 174.5774 44 T 5.0396 8.5157 123.9719 61.6061 71.5002 173.0733 45 W 5.0824 9.6853 127.7287 56.0270 31.0210 175.6087 46 I 4.9485 8.8989 124.8691 59.4076 40.2530 174.1174 47 N 4.8536 9.1486 126.7935 53.5046 39.6011 175.2374 48 R 4.7368 9.3409 125.3374 56.1923 30.5213 175.7600 49 E 4.7647 9.0912 117.5490 53.9020 32.8756 176.6262 50 A 3.9599 8.5380 121.8324 54.9763 18.6407 177.9074 51 M 3.9900 7.9771 115.5932 55.1933 32.4071 174.0002 52 P 4.7203 0.0000 0.0000 62.7663 32.1820 175.4538 53 H 5.1282 8.6967 119.3336 54.4005 33.7868 171.9242 54 N 4.9557 8.4299 115.8533 51.8679 40.5391 173.3621 55 V 4.5293 7.9633 110.0007 60.1902 35.3494 174.7612 56 H 5.1580 8.5740 122.9443 54.9085 33.4486 171.7833 57 F 5.1105 9.7552 125.4022 55.5902 41.4150 176.1176 58 V 4.3786 8.6183 116.5212 60.4952 33.2297 175.4190 59 A 3.9620 8.5755 124.6905 54.4643 18.3291 178.2904 60 G 4.0110 9.1166 111.6657 45.2999 0.0000 174.8083 61 V 4.0349 7.3785 118.9429 65.0283 32.0552 176.6420 62 L 4.2725 8.9232 117.0767 53.8845 42.2685 177.4629 63 G 3.8142 7.4434 106.3396 44.6852 0.0000 172.8928 64 E 3.8258 8.4741 119.9871 58.9650 29.8602 177.7553 65 A 4.5580 7.6719 118.2880 50.7682 19.8869 177.2308 66 A 4.3452 8.5798 121.8879 52.1445 19.6396 177.0933 67 L 4.3394 8.9326 123.7009 53.9107 43.4711 175.7304 68 K 4.3637 8.5091 127.5234 54.2184 32.3707 176.6511 69 G 3.5789 8.7110 112.9348 45.0008 0.0000 169.5365 70 P 4.4546 0.0000 0.0000 62.3099 32.3815 176.0301 71 M 4.2648 8.3759 121.7573 55.9241 32.6311 175.5503 72 M 4.5018 9.2711 124.5552 54.3298 33.9929 176.8258 73 K 4.3781 9.1224 124.0528 54.8439 34.6579 176.1959 74 K 4.1802 8.4187 121.4056 57.7159 32.3401 175.9226 75 E 3.8648 9.6042 125.1695 57.5556 27.6469 173.7354 76 Q 5.0500 7.9692 116.9920 54.5786 31.4670 174.6287 77 A 5.1931 8.3019 122.2053 50.7608 23.2573 174.4383 78 Y 5.1296 8.8815 119.3367 56.5115 42.6663 173.9055 79 S 5.4771 8.1674 121.1501 56.7900 66.7839 173.3602 80 L 4.6863 9.0406 121.9950 53.3259 46.0067 175.5171 81 T 4.8349 8.6653 120.6795 62.1357 70.4967 173.8047 82 F 4.7593 9.2836 127.2320 56.5596 40.0818 176.2630 83 T 4.6019 8.3437 113.7911 61.0340 69.5266 174.1777 84 E 4.6067 7.9353 120.5004 55.1578 32.5893 174.7558 85 A 4.3034 8.8366 129.2547 52.1325 19.2891 177.5530 86 G 3.8554 7.2042 107.0792 44.5967 0.0000 171.2989 87 T 4.6429 7.1887 116.1287 61.6826 71.2743 173.5723 88 Y 4.8891 8.7831 124.5843 56.3834 40.4832 174.9186 89 D 5.3311 9.0267 124.7447 54.0659 42.3853 175.3439 90 Y 4.8128 8.4927 119.4398 56.0390 42.3361 172.8653 91 H 5.4297 8.7956 114.6187 54.6502 33.0880 171.2297 92 C 4.8594 8.5726 118.5608 58.5041 32.1154 173.7805 93 T 3.8751 9.0415 124.4354 66.8977 68.3096 173.5517 94 P 4.4210 0.0000 0.0000 64.7338 32.3033 176.3073 95 H 4.7162 7.9241 116.5968 53.4863 28.7737 172.1794 96 P 4.4122 0.0000 0.0000 64.0378 31.8627 177.9140 97 F 4.3179 7.4453 112.4918 58.7188 38.6590 175.0868 98 M 4.2859 7.4288 123.1112 54.6333 32.3707 175.5916 99 R 5.0460 8.6201 122.2464 54.6696 34.4822 174.8030 100 G 3.5119 7.9347 107.7808 45.3254 0.0000 171.4355 101 K 5.1313 8.5268 120.0286 55.0538 36.0516 174.7422 102 V 4.6949 9.4752 128.2373 61.2752 33.7111 174.4049 103 V 4.3429 9.1409 130.3449 61.6186 32.8290 174.5491 104 V 4.6251 8.8046 129.7606 61.4496 33.1782 175.5924 105 E 4.4026 9.0303 127.2802 56.4716 29.3796 175.9809 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 D 8.36 4.64 0.00 2.40 2.44 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 2 K 8.31 4.47 0.00 1.39 1.74 0.00 1.94 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 A 8.22 4.78 0.47 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 0.00 0.00 4 T 8.64 4.45 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 1.11 0.00 0.00 5 I 8.15 4.21 1.83 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 1.26 0.43 0.90 0.00 0.00 6 P 0.00 4.15 0.00 1.96 2.03 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 7 S 7.54 4.69 0.00 3.74 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 8 E 9.21 4.22 0.00 1.99 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 2.32 2.41 0.00 9 S 7.76 4.93 0.00 4.03 3.85 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 10 P 0.00 4.80 0.00 2.05 2.01 0.00 3.63 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 2.13 2.02 0.00 11 F 8.26 5.22 0.00 3.06 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 12 A 8.83 4.34 1.35 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 13 A 8.99 3.97 1.35 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 14 A 8.12 4.16 1.33 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 15 E 8.00 4.56 0.00 2.23 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 0.00 2.23 2.25 0.00 16 V 7.68 4.41 2.23 0.00 0.00 0.00 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 1.24 0.00 0.00 17 A 8.34 4.25 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 18 D 8.66 4.51 0.00 2.68 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 19 G 8.91 3.85 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 0.00 0.00 0.00 20 A 7.52 4.04 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 21 I 8.18 4.01 1.97 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 1.19 0.64 0.81 0.00 0.00 22 V 8.27 4.72 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 0.80 0.00 0.00 0.97 0.00 0.00 23 V 8.03 4.25 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 1.26 0.00 0.00 0.63 0.00 0.00 24 D 8.72 5.16 0.00 2.84 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 25 I 8.75 5.06 1.92 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 0.63 0.00 0.00 26 A 8.93 4.70 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 27 K 9.53 4.12 0.00 1.90 1.89 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.45 7.81 28 M 8.57 3.27 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 29 K 7.58 4.50 0.00 1.76 1.65 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 30 Y 8.18 4.76 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 31 E 9.28 4.21 0.00 2.03 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 2.45 0.00 32 T 7.56 4.76 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 33 P 0.00 4.35 0.00 2.15 2.40 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 34 E 7.87 4.78 0.00 1.91 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 0.00 2.28 2.20 0.00 35 L 8.84 4.74 0.00 1.80 1.49 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.85 5.38 0.00 3.04 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.83 4.60 2.23 0.00 0.00 0.00 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 0.87 0.00 0.00 38 K 9.10 4.83 0.00 1.66 1.72 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 39 V 8.40 3.67 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 0.81 0.00 0.00 1.00 0.00 0.00 40 G 9.34 4.05 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 0.00 0.00 0.00 41 D 8.55 4.58 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.41 4.94 4.23 0.00 0.00 0.00 0.00 0.00 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 43 V 9.10 4.28 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 0.02 0.00 0.00 0.89 0.00 0.00 44 T 8.52 5.04 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 45 W 9.69 5.08 0.00 3.40 3.11 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 46 I 8.90 4.95 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 1.11 0.90 1.00 0.00 0.00 47 N 9.15 4.85 0.00 2.86 2.92 0.00 0.00 6.74 7.18 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 48 R 9.34 4.74 0.00 1.85 1.97 0.00 3.35 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 49 E 9.09 4.76 0.00 2.08 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 2.40 2.32 0.00 50 A 8.54 3.96 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 51 M 7.98 3.99 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 52 P 0.00 4.72 0.00 1.92 1.93 0.00 3.69 0.00 0.00 2.14 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 53 H 8.70 5.13 0.00 3.02 3.08 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.43 4.96 0.00 2.61 2.68 0.00 0.00 5.87 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 55 V 7.96 4.53 0.96 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 -0.91 0.00 0.00 0.39 0.00 0.00 56 H 8.57 5.16 0.00 3.01 2.85 0.00 5.56 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.76 5.11 0.00 3.04 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 58 V 8.62 4.38 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 0.99 0.00 0.00 1.01 0.00 0.00 59 A 8.58 3.96 1.33 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 60 G 9.12 4.01 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 0.00 0.00 0.00 61 V 7.38 4.03 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 1.33 0.00 0.00 1.11 0.00 0.00 62 L 8.92 4.27 0.00 1.58 1.37 -0.31 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.44 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 64 E 8.47 3.83 0.00 1.95 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 2.31 2.32 0.00 65 A 7.67 4.56 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.58 4.35 1.35 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 67 L 8.93 4.34 0.00 1.73 1.72 0.74 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.51 4.36 0.00 1.53 1.55 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.71 1.25 7.81 69 G 8.71 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 1.91 1.90 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.90 0.00 71 M 8.38 4.26 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 72 M 9.27 4.50 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 73 K 9.12 4.38 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.37 7.81 74 K 8.42 4.18 0.00 1.77 1.75 0.00 1.73 0.00 0.00 1.54 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.56 7.81 75 E 9.60 3.86 0.00 2.18 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 0.00 2.23 2.43 0.00 76 Q 7.97 5.05 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 77 A 8.30 5.19 0.74 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 0.00 0.00 78 Y 8.88 5.13 0.00 2.97 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 79 S 8.17 5.48 0.00 3.77 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 80 L 9.04 4.69 0.00 1.53 0.83 0.68 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.67 4.83 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 1.27 0.00 0.00 82 F 9.28 4.76 0.00 3.01 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 83 T 8.34 4.60 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 84 E 7.94 4.61 0.00 1.95 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 0.00 2.33 2.36 0.00 85 A 8.84 4.30 1.33 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 86 G 7.20 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 87 T 7.19 4.64 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 1.13 0.00 0.00 88 Y 8.78 4.89 0.00 3.25 3.27 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 89 D 9.03 5.33 0.00 2.62 2.55 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 90 Y 8.49 4.81 0.00 1.92 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 91 H 8.80 5.43 0.00 3.23 3.31 0.00 5.25 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.57 4.86 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 93 T 9.04 3.88 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 1.21 0.00 0.00 94 P 0.00 4.42 0.00 1.91 2.05 0.00 3.47 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 1.38 1.74 0.00 95 H 7.92 4.72 0.00 2.71 2.03 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.41 0.00 2.03 2.00 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 97 F 7.45 4.32 0.00 3.16 3.21 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 0.00 98 M 7.43 4.29 0.00 1.31 1.76 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.38 0.00 99 R 8.62 5.05 0.00 1.63 1.68 0.00 3.21 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 100 G 7.93 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 5.13 0.00 1.70 1.60 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.60 7.81 102 V 9.48 4.69 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 1.21 0.00 0.00 103 V 9.14 4.34 1.69 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 0.87 0.00 0.00 0.77 0.00 0.00 104 V 8.80 4.63 2.33 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 1.15 0.00 0.00 1.01 0.00 0.00 105 E 9.03 4.40 0.00 1.97 1.81 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 2.25 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.