NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2525 8.3293 118.8238 56.2156 29.2215 174.8561 3 E 4.1511 8.6562 117.3698 55.0262 30.9478 172.3964 4 E 4.6215 8.3178 118.2603 54.0727 32.5932 177.1413 5 E 3.9403 8.5852 121.1264 56.5088 30.2135 175.8899 6 A 4.6168 8.1775 127.1387 49.8474 20.7171 176.3521 7 E 3.8244 8.8460 124.5687 56.4221 29.9429 175.8217 8 Q 4.4887 8.6276 127.8520 54.7354 29.3648 174.3810 9 N 5.0928 8.4118 123.3058 50.9931 39.0044 174.1782 10 L 4.4261 9.5154 120.1748 53.8826 44.0114 178.5607 11 S 4.4778 8.8315 114.4697 60.8054 62.1998 176.1390 12 E 4.2342 8.0714 116.7032 58.3737 29.3343 177.5135 13 L 4.4286 7.9259 118.0323 55.5955 42.0703 177.5869 14 S 4.7439 8.0389 115.5909 58.7727 63.7080 175.2458 15 G 4.0611 8.3079 109.8638 43.6834 0.0000 169.8376 16 P 5.2952 0.0000 0.0000 62.1500 32.3667 175.6255 17 W 5.4774 9.0100 123.0065 55.0255 33.1644 174.8189 18 R 5.2373 9.5932 120.1914 54.8257 34.1459 174.7376 19 T 4.1828 8.8169 118.5430 63.8533 68.8845 173.8052 20 V 3.9960 8.3141 125.9594 64.1985 32.6513 175.1913 21 Y 4.9261 7.2750 116.5923 56.2502 42.5447 173.8873 22 I 4.8579 8.4046 121.9231 59.7011 41.0559 174.8180 23 G 4.2800 9.1312 113.9684 44.7219 0.0000 171.8954 24 S 5.2782 8.2020 114.3971 56.8548 65.0222 174.2634 25 T 4.0622 8.5733 116.0436 63.3621 69.7019 173.8768 26 N 4.8167 8.0917 121.0257 50.6257 40.0444 172.6318 27 P 4.3028 0.0000 0.0000 65.5322 31.7634 178.3358 28 E 4.2321 8.2969 119.1621 58.4309 29.8314 178.9744 29 K 4.2406 8.1495 118.0375 58.4656 32.1751 178.0186 30 I 4.5245 7.4568 109.1106 60.3680 38.5435 175.7112 31 Q 4.2785 7.6289 119.8275 55.2091 29.2869 175.2365 32 E 3.8298 8.4796 118.7125 58.6785 29.6691 177.3861 33 N 4.6054 9.1023 120.5821 53.3243 37.8044 174.2155 34 G 3.9598 8.3968 106.8706 44.7957 0.0000 173.5632 35 P 4.2196 0.0000 0.0000 64.8574 31.4822 177.1875 36 F 4.6597 8.3456 116.2654 57.3022 39.3883 177.0301 37 R 4.2646 7.5911 123.7151 55.1173 28.1586 175.2669 38 T 4.8044 7.5240 108.9143 60.6106 70.8063 175.6337 39 Y 4.6124 9.3881 125.7659 56.4971 38.6866 175.3962 40 F 4.8381 9.6258 124.2557 58.2261 39.6173 175.3836 41 R 4.6983 9.3706 118.8489 57.6315 33.0340 175.2101 42 E 5.3595 8.0931 117.4532 54.9150 33.4864 173.5920 43 L 4.8453 9.1358 124.4693 52.8227 46.0176 175.6797 44 V 4.5801 8.0654 122.0633 61.2288 34.2996 173.9184 45 F 5.0969 9.3100 127.1793 55.8858 41.4936 174.4358 46 D 4.8574 8.9366 123.0505 52.5742 42.6075 176.2656 47 D 4.5793 8.9828 126.7627 56.8136 41.3901 178.0406 48 E 4.1971 8.4589 118.5736 58.6358 29.6693 177.8846 49 K 4.1990 8.3365 115.4695 55.9288 33.1328 176.3219 50 G 3.8890 8.1925 107.7886 47.0812 0.0000 172.6435 51 T 5.4275 7.6616 107.2897 59.6272 73.5698 173.1734 52 V 4.5610 8.6662 120.5991 61.3350 35.0496 173.3182 53 D 5.1751 8.7606 128.1416 52.7781 43.0478 175.2344 54 F 4.6897 9.2511 122.4963 55.8071 41.6497 174.3474 55 Y 5.0238 8.6776 120.8672 56.1692 41.0554 174.7374 56 F 5.5319 8.5574 118.4487 55.9284 42.4254 173.0853 57 S 5.5726 9.6588 114.6712 57.0235 66.1645 173.8774 58 V 5.0157 9.1616 122.3280 61.3467 35.4205 173.4374 59 K 4.1508 8.2773 127.7499 54.8406 33.4499 175.8834 60 R 4.3789 8.6409 126.0364 55.4239 33.2403 175.2031 61 D 4.1285 9.6169 124.0217 55.5599 38.2469 174.6537 62 G 3.8911 8.3482 103.0009 45.7019 0.0000 173.7779 63 K 4.5962 7.5454 118.3231 53.8990 35.6575 175.3902 64 W 4.8008 8.7445 122.8828 56.2387 30.1218 175.8327 65 K 4.7762 9.4286 123.7068 54.6887 35.3266 174.7050 66 N 5.2445 8.8368 121.3413 51.8368 40.1501 174.4833 67 V 4.2522 8.9143 124.2555 61.0251 34.8629 173.6206 68 H 4.9391 8.4359 125.4976 54.2251 32.2471 172.5617 69 V 4.2892 8.3577 125.3881 60.7802 34.7292 173.7447 70 K 4.9407 8.6384 128.1375 54.6511 34.0073 174.7757 71 A 5.2011 9.3165 129.3136 50.5738 22.3125 175.0729 72 T 4.9811 8.5211 117.2448 61.3725 71.5387 173.9396 73 K 3.7904 8.8407 128.0457 56.3721 33.0239 175.9769 74 Q 4.5677 8.6142 124.6854 53.8532 31.5986 176.4656 75 D 4.2527 8.7242 120.2456 57.6485 40.9735 178.0838 76 D 4.2827 7.9150 117.3875 55.8568 41.2719 176.8295 77 G 3.9288 8.0480 106.1268 44.9582 0.0000 173.4557 78 T 4.4234 7.4629 110.1550 60.8976 71.5448 172.9282 79 Y 4.9205 8.3641 118.5269 56.0997 41.5159 175.5563 80 V 5.0905 8.4766 115.0411 59.9471 35.4652 174.5728 81 A 4.9461 8.7825 123.5552 51.1749 23.1999 174.7774 82 D 5.2742 8.4086 119.9381 53.1741 42.4846 175.9771 83 Y 4.2938 9.2861 120.8802 57.8441 41.7501 173.4439 84 E 3.4598 9.5331 129.0470 57.7258 27.7603 172.8994 85 G 3.8446 7.6173 103.9432 44.2734 0.0000 172.5903 86 Q 5.0015 8.4480 118.2313 54.4517 31.4504 174.8970 87 N 5.6915 9.0441 119.2518 51.5580 43.2881 173.7283 88 V 4.7642 8.8704 121.8002 61.2407 34.5194 174.2050 89 F 5.6205 9.1868 123.0228 55.0350 41.6446 174.1140 90 K 4.9982 9.5757 118.7391 54.8292 36.2557 175.6466 91 I 4.4899 8.6599 124.9649 60.6696 37.0830 175.7294 92 V 3.9966 8.7473 128.7860 65.1481 32.4885 176.5713 93 S 4.7662 7.9219 114.2517 56.7017 65.9215 172.7102 94 L 5.1773 8.4512 128.1495 54.0402 43.7527 174.7349 95 S 4.6885 8.9232 119.4621 56.9975 66.1207 174.5322 96 R 3.9786 8.6944 118.2045 58.5492 29.9670 177.4114 97 T 4.5569 8.1062 107.2932 61.6154 71.6093 173.4800 98 H 5.8556 8.0772 116.0713 53.9833 32.9316 172.2224 99 L 5.1709 9.4068 120.4199 53.5863 45.7639 174.8124 100 V 4.9943 9.3432 126.3070 61.2140 34.0304 174.1111 101 A 5.4321 9.2337 128.8233 50.4244 23.3451 173.7399 102 H 5.4673 9.3964 119.1061 54.4075 32.9229 172.0483 103 N 5.5285 9.5103 124.2534 51.8289 42.5730 172.7315 104 I 4.8593 8.7332 126.2238 59.5607 39.8989 173.9493 105 N 5.5161 9.1661 126.3029 51.6577 42.2060 173.3515 106 V 4.8926 8.5141 124.9224 61.1545 34.5267 175.2540 107 D 5.0285 8.7509 128.8208 51.8642 40.7554 177.1030 108 K 3.9488 8.4650 117.5633 59.2936 32.2649 177.0150 109 H 4.7502 8.2920 115.4266 55.4074 29.0524 175.2445 110 G 3.9446 8.4363 107.5182 45.4955 0.0000 174.0635 111 Q 4.2088 8.4403 120.4001 56.0422 29.7895 175.2152 112 T 5.0012 8.4686 120.7620 62.6662 70.2718 174.3678 113 T 4.6211 8.9736 122.3958 61.8039 72.6902 172.5592 114 E 5.1123 9.0268 125.6950 54.6766 32.1254 175.1063 115 L 5.3509 9.1260 123.6003 53.0698 46.0469 175.5877 116 T 5.2060 8.6301 113.7428 60.9687 72.2542 173.2685 *117 E 5.0416 8.9429 119.4048 55.2354 34.9638 174.1834 118 L 5.0649 8.3054 123.9142 53.1995 45.0003 175.2732 119 F 5.4312 9.4646 124.8447 55.5786 43.1384 174.3901 120 V 5.0421 9.0788 121.4065 59.8810 34.3441 174.3907 121 K 3.7091 8.1903 124.8296 55.0866 33.2612 176.2889 122 L 4.3443 8.1705 127.6122 53.4724 41.9153 175.6313 123 N 4.4948 8.3979 121.9737 51.7956 39.5244 175.2026 124 V 4.2066 8.1145 123.0787 60.8517 32.9966 175.4116 125 E 4.2836 8.4493 127.3501 55.9432 31.5001 177.5407 126 D 4.4504 8.6473 122.3282 57.6523 40.8774 179.0033 127 E 3.9978 8.1939 118.6021 59.6028 29.5167 179.0002 128 D 4.4376 8.0349 118.3933 57.0913 40.9772 178.6256 129 L 4.0829 8.0982 119.6644 57.8875 41.6208 179.3894 130 E 4.1768 8.6088 118.7607 59.2307 29.3907 179.3233 131 K 3.9677 8.0051 119.6279 59.4053 32.1986 178.6848 132 F 4.0155 8.3014 120.9052 61.1623 39.3213 177.2115 133 W 4.1170 8.4237 118.7490 59.4079 28.7397 178.5569 134 K 3.9734 8.3743 119.8086 59.3921 31.7953 178.5830 135 L 3.8857 7.8757 120.5982 58.5758 41.9527 179.1057 136 T 3.6505 7.7372 115.8513 66.4584 68.2663 176.3295 137 E 3.9802 8.2697 121.3170 59.3419 29.4618 178.5438 138 D 4.4316 8.3142 118.5115 56.8796 40.8922 177.9061 139 K 4.4171 7.7437 116.3733 55.4052 32.1993 176.8849 140 G 3.9134 7.7577 106.8979 46.5604 0.0000 173.8877 141 I 4.1830 7.5258 120.4973 59.5930 38.2476 175.6889 142 D 4.5691 8.5259 124.8031 53.6373 41.8545 176.9579 143 K 3.8975 8.8619 125.3160 59.6428 32.1759 178.1646 144 K 4.1821 8.1075 118.2564 58.4203 32.2072 176.6574 145 N 4.9901 8.6337 116.3356 53.2940 38.9790 174.6185 146 V 4.4772 7.8966 117.3574 61.0041 34.0114 174.4270 147 V 4.1912 8.4544 126.5015 61.0497 33.0007 174.2031 148 N 4.7328 8.5153 125.4912 52.7154 39.1037 174.4870 149 F 4.4315 8.8537 123.8722 57.7783 40.0077 176.7803 150 L 4.2126 8.1548 122.2865 56.8772 42.5592 176.5284 151 E 4.6768 8.4576 117.0294 54.2283 29.2844 174.2209 152 N 4.9983 7.6886 117.4856 51.1818 42.5137 174.0132 153 E 3.9312 8.8056 123.0505 59.1314 30.0102 176.6817 154 N 4.4839 7.7930 120.2045 52.1038 37.8126 173.1096 155 H 4.9503 7.6364 119.0361 52.4315 31.9314 171.8357 156 P 4.2273 0.0000 0.0000 63.0832 31.6300 175.4189 157 H 4.4128 8.1134 116.8105 53.3359 30.3297 174.5330 158 P 4.0980 0.0000 0.0000 64.7449 31.5450 176.2216 159 E 4.5604 7.8387 120.7998 56.9926 29.6257 175.2959 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 Q 8.33 4.25 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 3 E 8.66 4.15 0.00 2.18 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 2.25 2.39 0.00 4 E 8.32 4.62 0.00 1.96 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 2.23 2.21 0.00 5 E 8.59 3.94 0.00 1.89 1.85 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 2.29 2.37 0.00 6 A 8.18 4.62 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 7 E 8.85 3.82 0.00 1.92 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 2.30 2.37 0.00 8 Q 8.63 4.49 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 9 N 8.41 5.09 0.00 2.70 2.70 0.00 0.00 7.01 7.85 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 10 L 9.52 4.43 0.00 1.69 0.94 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.83 4.48 0.00 4.05 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 0.00 12 E 8.07 4.23 0.00 2.02 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 2.34 2.29 0.00 13 L 7.93 4.43 0.00 1.42 1.97 0.66 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.04 4.74 0.00 4.07 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 15 G 8.31 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 0.00 0.00 0.00 0.00 16 P 0.00 5.30 0.00 2.15 2.23 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.82 0.00 17 W 9.01 5.48 0.00 3.34 3.40 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 18 R 9.59 5.24 0.00 1.73 1.89 0.00 3.41 0.00 0.00 3.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 19 T 8.82 4.18 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 0.86 0.00 0.00 20 V 8.31 4.00 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 0.45 0.00 0.00 0.89 0.00 0.00 21 Y 7.27 4.93 0.00 2.80 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 22 I 8.40 4.86 1.81 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 1.07 0.34 0.93 0.00 0.00 23 G 9.13 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 0.00 0.00 0.00 0.00 24 S 8.20 5.28 0.00 3.79 3.66 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 0.00 0.00 0.00 25 T 8.57 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 1.19 0.00 0.00 26 N 8.09 4.82 0.00 2.72 2.69 0.00 0.00 6.76 7.46 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 27 P 0.00 4.30 0.00 2.26 2.30 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 28 E 8.30 4.23 0.00 2.12 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 0.00 2.32 2.32 0.00 29 K 8.15 4.24 0.00 1.95 2.01 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 30 I 7.46 4.52 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 1.40 0.68 0.98 0.00 0.00 31 Q 7.63 4.28 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 32 E 8.48 3.83 0.00 1.97 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 2.50 2.37 0.00 33 N 9.10 4.61 0.00 2.81 3.04 0.00 0.00 7.12 7.98 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 34 G 8.40 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 0.00 0.00 0.00 35 P 0.00 4.22 0.00 1.87 2.08 0.00 3.95 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 2.24 2.05 0.00 36 F 8.35 4.66 0.00 3.21 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 37 R 7.59 4.26 0.00 1.93 2.06 0.00 3.33 0.00 0.00 3.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 38 T 7.52 4.80 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 0.94 0.00 0.00 39 Y 9.39 4.61 0.00 3.20 3.17 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 40 F 9.63 4.84 0.00 3.05 3.22 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 41 R 9.37 4.70 0.00 1.98 1.97 0.00 3.14 0.00 0.00 3.14 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 42 E 8.09 5.36 0.00 2.07 1.77 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 2.22 2.58 0.00 43 L 9.14 4.85 0.00 1.27 0.64 -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.07 4.58 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 1.11 0.00 0.00 1.01 0.00 0.00 45 F 9.31 5.10 0.00 3.09 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 46 D 8.94 4.86 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.98 4.58 0.00 2.75 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 48 E 8.46 4.20 0.00 2.15 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 2.35 2.30 0.00 49 K 8.34 4.20 0.00 1.78 1.88 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.39 7.81 50 G 8.19 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 0.00 0.00 0.00 51 T 7.66 5.43 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 1.31 0.00 0.00 52 V 8.67 4.56 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 -0.42 0.00 0.00 0.72 0.00 0.00 53 D 8.76 5.18 0.00 2.65 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.25 4.69 0.00 2.74 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 55 Y 8.68 5.02 0.00 3.03 2.78 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 56 F 8.56 5.53 0.00 3.21 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 57 S 9.66 5.57 0.00 4.09 4.17 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 58 V 9.16 5.02 2.27 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 1.12 0.00 0.00 1.39 0.00 0.00 59 K 8.28 4.15 0.00 0.79 1.08 0.00 1.18 0.00 0.00 1.38 0.00 0.00 2.53 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.83 0.21 7.81 60 R 8.64 4.38 0.00 1.71 1.71 0.00 3.46 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 61 D 9.62 4.13 0.00 2.77 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 62 G 8.35 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 0.00 0.00 0.00 63 K 7.55 4.60 0.00 1.84 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 64 W 8.74 4.80 0.00 3.20 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 65 K 9.43 4.78 0.00 1.89 1.70 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.45 7.81 66 N 8.84 5.24 0.00 2.62 2.77 0.00 0.00 6.73 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 67 V 8.91 4.25 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.82 0.00 0.00 68 H 8.44 4.94 0.00 2.96 3.02 0.00 5.92 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 69 V 8.36 4.29 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 0.84 0.00 0.00 0.76 0.00 0.00 70 K 8.64 4.94 0.00 1.78 1.63 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.42 7.81 71 A 9.32 5.20 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 0.00 0.00 0.00 0.00 0.00 72 T 8.52 4.98 4.26 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 1.21 0.00 0.00 73 K 8.84 3.79 0.00 1.21 1.54 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 0.58 7.81 74 Q 8.61 4.57 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 75 D 8.72 4.25 0.00 2.62 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 76 D 7.91 4.28 0.00 2.59 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 77 G 8.05 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 78 T 7.46 4.42 4.26 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 1.19 0.00 0.00 79 Y 8.36 4.92 0.00 1.43 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 5.09 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 0.72 0.00 0.00 0.94 0.00 0.00 81 A 8.78 4.95 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 82 D 8.41 5.27 0.00 2.60 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 83 Y 9.29 4.29 0.00 2.83 2.98 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 84 E 9.53 3.46 0.00 1.44 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 1.47 1.47 0.00 85 G 7.62 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 0.00 0.00 0.00 86 Q 8.45 5.00 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 87 N 9.04 5.69 0.00 2.93 2.81 0.00 0.00 6.30 7.32 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 88 V 8.87 4.76 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 1.06 0.00 0.00 0.94 0.00 0.00 89 F 9.19 5.62 0.00 3.27 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 90 K 9.58 5.00 0.00 1.80 1.79 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 91 I 8.66 4.49 2.04 0.00 0.00 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 1.40 0.80 0.99 0.00 0.00 92 V 8.75 4.00 2.25 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 0.75 0.00 0.00 1.08 0.00 0.00 93 S 7.92 4.77 0.00 3.97 3.77 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 L 8.45 5.18 0.00 1.63 1.47 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.92 4.69 0.00 4.03 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 96 R 8.69 3.98 0.00 1.83 2.03 0.00 3.32 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 97 T 8.11 4.56 4.21 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 1.18 0.00 0.00 98 H 8.08 5.86 0.00 3.46 3.50 0.00 5.41 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.41 5.17 0.00 1.65 1.63 0.96 0.47 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 0.00 100 V 9.34 4.99 2.19 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 0.95 0.00 0.00 1.06 0.00 0.00 101 A 9.23 5.43 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 0.00 102 H 9.40 5.47 0.00 3.21 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.51 5.53 0.00 2.76 2.55 0.00 0.00 6.60 7.61 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 0.00 104 I 8.73 4.86 1.85 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 1.08 0.69 0.90 0.00 0.00 105 N 9.17 5.52 0.00 2.55 2.38 0.00 0.00 6.15 7.26 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 0.00 106 V 8.51 4.89 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 0.95 0.00 0.00 0.94 0.00 0.00 107 D 8.75 5.03 0.00 2.95 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 0.00 108 K 8.46 3.95 0.00 1.77 1.90 0.00 1.42 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.01 7.81 109 H 8.29 4.75 0.00 3.27 3.30 0.00 5.76 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 0.00 110 G 8.44 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 0.00 0.00 0.00 0.00 111 Q 8.44 4.21 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 112 T 8.47 5.00 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 0.00 113 T 8.97 4.62 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 1.08 0.00 0.00 114 E 9.03 5.11 0.00 1.90 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 2.25 2.26 0.00 115 L 9.13 5.35 0.00 1.43 1.48 0.40 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.63 5.21 4.21 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 1.18 0.00 0.00 *117 E 8.94 5.04 0.00 1.65 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 2.15 2.13 0.00 118 L 8.31 5.06 0.00 1.69 1.47 1.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.46 5.43 0.00 3.16 3.19 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 0.00 120 V 9.08 5.04 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 0.78 0.00 0.00 0.94 0.00 0.00 121 K 8.19 3.71 0.00 0.79 0.90 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.00 0.00 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130 E 8.61 4.18 0.00 2.24 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 0.00 2.42 2.52 0.00 131 K 8.01 3.97 0.00 2.01 2.00 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 132 F 8.30 4.02 0.00 2.96 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 0.00 133 W 8.42 4.12 0.00 3.51 3.18 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 0.00 134 K 8.37 3.97 0.00 1.87 1.95 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.46 7.81 135 L 7.88 3.89 0.00 1.80 1.68 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.74 3.65 4.08 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 1.13 0.00 0.00 137 E 8.27 3.98 0.00 2.18 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 0.00 2.31 2.36 0.00 138 D 8.31 4.43 0.00 2.81 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 0.00 139 K 7.74 4.42 0.00 1.71 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.53 7.81 140 G 7.76 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 0.00 0.00 0.00 0.00 141 I 7.53 4.18 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.95 0.00 0.00 142 D 8.53 4.57 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.86 3.90 0.00 1.79 1.90 0.00 1.65 0.00 0.00 1.37 0.00 0.00 2.60 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.27 1.40 7.81 144 K 8.11 4.18 0.00 1.71 2.01 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.43 7.81 145 N 8.63 4.99 0.00 2.88 2.85 0.00 0.00 6.67 7.29 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 0.00 146 V 7.90 4.48 2.54 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 0.96 0.00 0.00 1.21 0.00 0.00 147 V 8.45 4.19 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 0.22 0.00 0.00 0.90 0.00 0.00 148 N 8.52 4.73 0.00 2.75 2.68 0.00 0.00 7.05 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 0.00 149 F 8.85 4.43 0.00 2.94 3.07 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 0.00 150 L 8.15 4.21 0.00 1.60 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.46 4.68 0.00 1.90 1.80 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 2.19 2.21 0.00 152 N 7.69 5.00 0.00 2.63 2.55 0.00 0.00 7.33 7.65 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 0.00 153 E 8.81 3.93 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 2.21 2.22 0.00 154 N 7.79 4.48 0.00 2.62 2.71 0.00 0.00 6.71 7.89 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 0.00 155 H 7.64 4.95 0.00 3.10 3.15 0.00 5.79 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 0.00 156 P 0.00 4.23 0.00 1.98 1.96 0.00 3.61 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 2.00 2.07 0.00 157 H 8.11 4.41 0.00 3.11 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.10 0.00 1.44 1.92 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.69 0.00 159 E 7.84 4.56 0.00 2.02 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 0.00 2.51 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.