NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.5934 8.2445 118.3791 57.7454 39.0383 175.4870 3 Q 4.0360 8.9934 124.5679 56.6301 28.8231 171.7031 4 T 5.0260 8.4277 111.2740 59.2461 73.0061 174.1516 5 I 3.8278 8.7022 126.5868 64.8081 37.2297 178.8760 6 E 4.1800 8.3337 119.0024 59.2073 28.8093 179.4363 7 G 3.7683 8.2039 105.5445 47.8369 0.0000 175.3846 8 F 4.1898 8.3367 122.7798 61.0608 39.3634 177.3349 9 L 3.8085 8.1946 121.0483 58.0639 41.4611 180.1525 10 Q 4.1329 8.2800 123.6038 60.7621 28.1744 183.3122 11 S 4.4811 7.8014 120.1059 63.0585 62.4105 178.2218 12 W 4.4222 8.3599 133.0417 60.4563 30.2839 178.1651 13 T 3.7110 8.2546 116.2072 66.6960 67.9338 175.9793 14 Y 3.9143 7.6275 120.5331 60.6046 38.8251 177.9787 15 E 3.9262 8.1203 119.3389 59.5349 29.5529 179.4836 16 T 3.7857 7.4515 111.5075 64.0775 68.8297 176.3734 17 E 3.8006 7.9219 121.6040 59.1540 29.2907 179.3031 18 S 3.8028 7.2175 111.3064 61.6304 62.4187 176.0944 19 T 3.8041 7.4695 117.2337 66.5286 68.4326 176.2978 20 Q 4.0692 8.3418 121.9279 58.8630 28.9649 178.6768 21 K 4.0771 7.7106 115.6167 57.4330 31.6359 178.5287 *23 L 4.2258 7.8713 121.9348 54.9768 43.4462 178.9301 24 D 4.3728 8.1135 117.1941 56.5908 40.8405 177.5145 25 V 3.8784 7.0795 116.9700 63.9010 31.9324 176.3189 26 L 4.1633 7.4054 120.1322 55.0112 41.9466 176.3219 27 T 4.6586 7.8682 112.0074 59.5428 71.3011 174.7697 28 D 4.4488 8.6007 121.7864 57.5817 40.8265 178.7899 29 E 3.9999 8.1002 119.4819 59.2813 29.6907 178.8492 30 S 4.1825 8.0051 113.7612 61.3424 62.8555 176.3657 31 L 4.0313 7.6215 121.5522 57.3543 41.0919 178.6188 32 S 4.4855 7.7088 111.5170 57.8892 63.3187 174.2211 33 Q 4.0018 8.0711 128.6680 56.9538 29.3256 175.1951 34 E 5.0162 8.4404 120.8738 53.8607 32.4840 172.9308 35 I 3.8444 8.5865 123.6040 63.7332 37.5529 176.1881 36 A 4.3649 7.4473 119.6225 50.6421 21.4360 173.4190 37 P 4.4722 0.0000 0.0000 64.4009 31.5395 177.4079 38 G 3.8998 9.2167 111.0107 45.5313 0.0000 171.7503 39 H 5.0863 7.7453 115.7025 52.9155 32.2425 173.8639 40 W 4.6908 8.9403 118.8274 57.7674 30.2173 176.3035 41 T 4.8769 8.4002 112.8135 60.4344 70.7075 175.4063 42 L 4.0948 8.9983 123.9359 58.3177 41.9804 179.1575 43 G 3.6486 8.1751 105.7291 47.8929 0.0000 175.6381 44 R 3.7216 7.5803 120.8582 58.8686 29.9062 178.3818 45 V 3.8562 7.9807 117.9901 66.3490 31.4486 177.9692 46 A 4.0412 8.2334 120.1955 54.9901 18.2834 179.4935 47 W 4.4381 8.4310 126.9191 60.7617 30.6870 177.6847 48 H 4.1865 8.5324 118.5847 59.1910 29.0375 177.3556 49 I 3.7814 7.4414 121.0271 64.2254 37.1011 178.2384 50 V 3.9314 7.6340 118.8647 66.4173 30.8945 178.2755 51 T 3.9203 7.9338 110.3060 63.6792 68.6140 176.2788 52 A 4.1156 8.1504 123.6541 54.7691 18.3670 179.4798 53 I 3.6696 7.5588 119.3258 63.9823 37.0793 176.7337 54 P 4.1119 0.0000 0.0000 65.5135 30.7939 178.3203 55 V 3.8271 7.4834 117.5279 66.0817 31.3380 178.1221 56 I 4.2010 7.8933 118.4140 64.1426 37.3042 177.6258 57 L 4.3684 7.8716 117.6349 55.3040 41.8313 178.9099 58 S 4.1437 7.8021 115.0308 61.4232 62.7138 176.4730 59 G 3.7828 7.9858 107.1496 46.5505 0.0000 175.0425 60 T 3.7236 7.4227 111.3962 62.6775 69.0508 175.8778 61 G 3.8489 7.8476 108.9680 44.9632 0.0000 173.1380 62 L 4.0152 7.7550 121.9113 55.0161 41.8837 175.9551 63 K 4.4669 8.3326 126.2506 54.6711 33.8282 175.8291 64 F 4.8095 7.3964 116.0981 55.5521 40.1634 173.3236 65 E 4.0583 9.0537 123.3427 55.2715 30.0954 176.5248 66 G 4.4973 8.2106 119.3450 45.0149 0.0000 172.0694 67 E 4.0174 8.2548 125.4572 56.8235 30.0857 177.0849 68 T 4.3633 8.5369 116.0027 61.7863 70.7070 174.5980 69 K 4.4343 8.5964 125.3414 53.5232 32.2079 181.3864 70 D 4.9602 8.7940 123.3638 52.4116 39.7836 175.4786 71 Y 4.6509 7.6818 120.1226 55.4333 41.7202 172.9526 72 P 3.3130 0.0000 0.0000 61.9517 32.4514 175.3222 73 V 3.6583 7.1531 118.3992 60.2338 32.6376 173.9557 74 P 3.9879 0.0000 0.0000 63.0876 31.5207 176.4628 75 T 4.1023 8.0682 110.0710 61.9904 69.6838 174.4108 76 S 4.7614 7.4631 117.6449 56.2462 64.4664 174.4138 77 A 4.0337 9.3778 129.8061 54.5129 18.0808 179.7094 78 K 3.9473 7.8370 118.8110 59.7848 32.1513 179.0330 79 T 3.9045 7.6224 116.1812 66.5945 68.2800 176.6847 80 I 4.0199 7.6645 120.8596 64.5408 37.4042 178.1353 81 A 4.0884 8.1404 121.5510 55.3383 18.1294 179.5051 82 D 4.4300 8.4566 117.5139 57.3171 40.9707 178.7995 83 G 4.1007 8.4952 106.7710 48.3804 0.0000 174.8040 84 Y 4.0935 8.3652 122.3317 60.2101 38.7958 178.1516 85 R 3.9467 8.1017 119.4524 59.2817 30.2263 178.2308 86 K 3.8853 8.4192 119.9470 59.7252 32.2105 179.1503 87 V 3.7917 7.9300 119.2833 64.5285 31.3853 177.7615 88 N 4.3770 8.0705 117.8057 56.8632 38.7708 176.9760 89 T 3.7849 7.8914 116.8833 66.6434 68.6562 176.5657 90 A 3.9799 8.0389 122.6854 54.8699 18.2822 179.4378 91 F 2.7119 8.0142 119.3193 61.1679 39.4886 177.6867 92 V 2.7353 7.5406 117.7716 65.5839 31.3516 177.8936 93 E 3.8496 8.0685 118.3729 59.0563 29.1686 179.0948 94 A 3.9130 7.4471 120.4673 54.6673 18.5149 179.3559 95 L 3.2315 7.4079 118.9441 58.3576 41.8676 179.4000 96 Q 4.0097 7.5172 116.4602 58.7167 28.6359 178.6060 97 S 4.2473 7.7236 115.3511 61.2243 63.0672 175.6327 98 E 4.4643 8.1671 118.9476 55.6659 30.6168 176.2978 99 W 5.1998 7.5779 117.9135 55.0437 31.3688 174.9789 100 T 4.8043 9.1472 111.1891 59.2614 71.2086 174.3450 101 D 4.4178 8.7384 120.1205 57.6342 40.4400 179.2423 102 K 3.9374 7.9561 118.7689 59.9731 32.5668 178.7594 103 D 4.0297 7.6387 121.2014 56.0712 40.5123 178.5539 104 L 3.8104 7.4614 119.5635 56.9761 41.3037 178.6553 105 T 4.2774 7.5802 108.5179 61.8246 69.3251 175.3080 106 T 3.7320 6.8575 119.8882 63.7052 68.7606 173.3041 107 I 4.0760 8.2450 127.9804 61.0734 37.9479 174.9244 108 N 5.0703 8.6563 121.3705 51.2345 42.3421 172.4765 109 D 4.9584 8.6613 118.7899 53.2664 41.7683 175.4828 110 F 4.2797 9.4683 131.2193 56.9907 39.2503 175.6526 111 F 3.9779 8.4372 130.6049 58.2981 36.1453 175.2339 112 G 4.1859 8.3565 109.1594 45.1775 0.0000 173.5440 113 R 4.6223 8.0966 116.0141 53.4815 31.3160 174.1132 114 P 5.5033 0.0000 0.0000 60.8956 32.9141 173.5340 *116 P 4.4245 0.0000 0.0000 62.4167 32.5309 177.1482 117 N 4.4351 8.5004 117.5299 56.6881 38.0427 177.8833 118 S 4.2487 7.9024 114.9082 61.5313 63.0011 176.4556 119 I 3.9154 7.5576 122.2887 63.9642 37.1012 177.6349 120 F 3.8540 8.4008 118.3118 60.5563 38.6489 178.0404 121 L 4.2655 7.6194 116.9586 55.4270 41.6723 179.3540 *123 T 4.2685 7.9277 117.5770 63.6207 70.7901 176.1332 124 L 4.0550 8.2076 122.6644 58.4138 41.9936 179.2780 125 I 4.1597 7.9008 119.3299 64.6220 37.1587 178.1994 126 N 4.4523 8.3406 116.8758 56.5392 38.5888 176.6728 127 H 4.2350 8.5776 119.6490 59.5586 29.9777 176.9156 128 Q 4.1178 8.3095 121.2575 59.4334 28.8570 178.0334 129 N 4.4210 8.4516 118.0691 56.6574 38.8904 176.2583 130 H 4.1528 8.4240 119.7449 59.9519 29.7639 177.0508 131 H 4.4119 7.9001 115.8789 58.7098 28.5990 177.4958 132 R 4.1264 8.2687 120.3592 59.1855 29.6942 178.3374 133 G 3.9167 8.2247 105.6775 47.7882 0.0000 176.5482 134 Q 4.8350 7.6789 120.4308 55.8122 28.5403 178.6573 *136 T 4.2550 7.8838 111.7325 61.8139 71.0901 175.2595 137 V 3.7384 7.4359 121.4441 65.7911 31.7065 179.3767 138 L 4.2638 7.6552 118.2435 54.9845 40.9966 179.2658 *140 R 4.2117 8.2029 120.2233 56.5884 31.5519 177.5327 141 Q 3.9983 8.0904 114.8955 58.6072 28.7230 177.0727 142 A 4.3393 7.6014 118.2697 51.6512 18.6021 177.7679 143 G 3.8601 8.0572 103.9750 46.0518 0.0000 173.9357 144 L 4.4362 7.8175 120.5083 53.8776 43.2660 176.9480 145 T 4.2708 8.1559 113.3608 59.5707 68.9418 175.7048 146 V 4.0324 8.2188 127.9475 59.8255 32.0946 173.9686 147 P 4.3337 0.0000 0.0000 62.3634 31.8014 176.4740 148 G 3.8618 8.3091 109.8422 45.6679 0.0000 173.0712 149 V 4.2218 7.6697 117.8073 61.0754 34.2708 174.5457 150 Y 4.2624 8.5928 119.6079 58.8935 38.4457 170.1865 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 Y 8.24 4.59 0.00 3.01 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 3 Q 8.99 4.04 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.28 1.98 0.00 4 T 8.43 5.03 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 1.34 0.00 0.00 5 I 8.70 3.83 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.74 0.97 0.00 0.00 6 E 8.33 4.18 0.00 2.03 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 2.44 2.35 0.00 7 G 8.20 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 0.00 0.00 0.00 8 F 8.34 4.19 0.00 2.80 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 9 L 8.19 3.81 0.00 1.78 1.71 0.96 1.05 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 10 Q 8.28 4.13 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 11 S 7.80 4.48 0.00 3.75 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 12 W 8.36 4.42 0.00 2.05 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 3.71 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 1.18 0.00 0.00 14 Y 7.63 3.91 0.00 3.15 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 15 E 8.12 3.93 0.00 1.89 1.84 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 2.74 2.69 0.00 16 T 7.45 3.79 4.02 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 0.00 0.00 -0.10 0.00 0.00 17 E 7.92 3.80 0.00 1.85 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 0.00 2.24 2.35 0.00 18 S 7.22 3.80 0.00 3.26 3.72 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 19 T 7.47 3.80 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 0.60 0.00 0.00 20 Q 8.34 4.07 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 21 K 7.71 4.08 0.00 1.90 1.71 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.60 7.81 *23 L 7.87 4.23 0.00 1.78 1.72 0.57 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.11 4.37 0.00 2.83 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 25 V 7.08 3.88 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 0.99 0.00 0.00 26 L 7.41 4.16 0.00 1.78 1.57 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.87 4.66 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 1.20 0.00 0.00 28 D 8.60 4.45 0.00 2.68 2.73 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 0.00 0.00 0.00 29 E 8.10 4.00 0.00 2.11 1.93 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 2.37 1.94 0.00 30 S 8.01 4.18 0.00 4.12 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 0.00 31 L 7.62 4.03 0.00 1.83 1.72 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.71 4.49 0.00 4.06 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 33 Q 8.07 4.00 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 34 E 8.44 5.02 0.00 2.00 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 2.13 1.86 0.00 35 I 8.59 3.84 1.94 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 1.29 1.21 0.85 0.00 0.00 36 A 7.45 4.36 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 37 P 0.00 4.47 0.00 2.09 2.05 0.00 3.75 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 2.05 2.12 0.00 38 G 9.22 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 0.00 0.00 0.00 39 H 7.75 5.09 0.00 3.35 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.94 4.69 0.00 3.31 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 41 T 8.40 4.88 4.44 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 1.25 0.00 0.00 42 L 9.00 4.09 0.00 1.80 1.84 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.18 3.65 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 0.00 0.00 0.00 44 R 7.58 3.72 0.00 1.47 1.45 0.00 2.78 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 45 V 7.98 3.86 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 1.12 0.00 0.00 1.34 0.00 0.00 46 A 8.23 4.04 1.44 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 0.00 0.00 47 W 8.43 4.44 0.00 3.42 3.03 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 0.00 0.00 0.00 48 H 8.53 4.19 0.00 3.38 3.65 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.44 3.78 2.10 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 1.48 0.80 0.94 0.00 0.00 50 V 7.63 3.93 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 0.85 0.00 0.00 1.23 0.00 0.00 51 T 7.93 3.92 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 0.47 0.00 0.00 52 A 8.15 4.12 1.50 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 0.00 0.00 53 I 7.56 3.67 1.92 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 1.73 1.17 0.77 0.00 0.00 54 P 0.00 4.11 0.00 2.06 1.85 0.00 4.00 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 55 V 7.48 3.83 2.16 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 1.25 0.00 0.00 0.98 0.00 0.00 56 I 7.89 4.20 2.06 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 1.85 0.82 0.97 0.00 0.00 57 L 7.87 4.37 0.00 1.78 1.63 -0.08 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.80 4.14 0.00 4.04 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 59 G 7.99 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 0.00 0.00 0.00 60 T 7.42 3.72 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 0.44 0.00 0.00 61 G 7.85 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 62 L 7.76 4.02 0.00 1.49 1.55 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.33 4.47 0.00 2.03 1.66 0.00 1.96 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 0.97 7.81 64 F 7.40 4.81 0.00 3.08 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 65 E 9.05 4.06 0.00 2.26 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 2.29 1.88 0.00 66 G 8.21 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 0.00 0.00 0.00 0.00 67 E 8.25 4.02 0.00 2.16 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.39 0.00 68 T 8.54 4.36 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 1.21 0.00 0.00 69 K 8.60 4.43 0.00 1.77 1.65 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.24 7.81 70 D 8.79 4.96 0.00 2.86 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 71 Y 7.68 4.65 0.00 2.88 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 72 P 0.00 3.31 0.00 1.86 1.64 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 73 V 7.15 3.66 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 0.60 0.00 0.00 0.76 0.00 0.00 74 P 0.00 3.99 0.00 1.54 1.50 0.00 2.45 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.85 0.00 75 T 8.07 4.10 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 1.08 0.00 0.00 76 S 7.46 4.76 0.00 3.78 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 77 A 9.38 4.03 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 78 K 7.84 3.95 0.00 1.78 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 79 T 7.62 3.90 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 1.09 0.00 0.00 80 I 7.66 4.02 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 1.13 0.00 0.00 81 A 8.14 4.09 1.42 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 0.00 0.00 0.00 82 D 8.46 4.43 0.00 2.97 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 83 G 8.50 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 84 Y 8.37 4.09 0.00 3.13 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 85 R 8.10 3.95 0.00 2.17 2.14 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 86 K 8.42 3.89 0.00 2.11 1.92 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 87 V 7.93 3.79 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 0.75 0.00 0.00 1.15 0.00 0.00 88 N 8.07 4.38 0.00 2.48 2.81 0.00 0.00 7.13 6.49 0.00 0.00 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 T 7.89 3.78 4.40 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 1.18 0.00 0.00 90 A 8.04 3.98 1.42 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 0.00 0.00 0.00 91 F 8.01 2.71 0.00 2.16 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 92 V 7.54 2.74 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 0.88 0.00 0.00 0.86 0.00 0.00 93 E 8.07 3.85 0.00 2.19 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 2.26 2.33 0.00 94 A 7.45 3.91 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 95 L 7.41 3.23 0.00 1.04 1.30 0.16 0.51 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 96 Q 7.52 4.01 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 97 S 7.72 4.25 0.00 3.95 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 98 E 8.17 4.46 0.00 1.94 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 0.00 2.31 2.45 0.00 99 W 7.58 5.20 0.00 3.33 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 0.00 100 T 9.15 4.80 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 1.24 0.00 0.00 101 D 8.74 4.42 0.00 2.71 2.94 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 0.00 102 K 7.96 3.94 0.00 1.92 2.03 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 103 D 7.64 4.03 0.00 2.26 1.54 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 0.00 0.00 0.00 0.00 104 L 7.46 3.81 0.00 1.74 1.69 1.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.58 4.28 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 1.17 0.00 0.00 106 T 6.86 3.73 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 1.09 0.00 0.00 107 I 8.24 4.08 1.87 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 1.42 0.60 0.94 0.00 0.00 108 N 8.66 5.07 0.00 2.62 2.83 0.00 0.00 6.71 8.08 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 0.00 109 D 8.66 4.96 0.00 2.66 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 0.00 110 F 9.47 4.28 0.00 2.12 2.67 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 0.00 0.00 0.00 0.00 111 F 8.44 3.98 0.00 2.64 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 0.00 0.00 0.00 113 R 8.10 4.62 0.00 2.03 2.08 0.00 2.77 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 114 P 0.00 5.50 0.00 2.23 2.12 0.00 3.42 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 *116 P 0.00 4.42 0.00 2.27 2.25 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 117 N 8.50 4.44 0.00 2.48 2.58 0.00 0.00 7.01 7.22 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 0.00 118 S 7.90 4.25 0.00 4.32 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 0.00 119 I 7.56 3.92 1.91 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 1.53 0.78 0.75 0.00 0.00 120 F 8.40 3.85 0.00 3.29 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 0.00 121 L 7.62 4.27 0.00 1.62 0.92 0.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *123 T 7.93 4.27 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 1.01 0.00 0.00 124 L 8.21 4.05 0.00 1.83 1.92 0.92 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.90 4.16 2.20 0.00 0.00 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 2.21 1.04 1.21 0.00 0.00 126 N 8.34 4.45 0.00 2.97 2.96 0.00 0.00 6.72 8.16 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 0.00 127 H 8.58 4.23 0.00 3.35 3.67 0.00 5.60 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 0.00 128 Q 8.31 4.12 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 129 N 8.45 4.42 0.00 3.22 3.11 0.00 0.00 6.82 8.03 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 0.00 130 H 8.42 4.15 0.00 3.31 3.51 0.00 5.83 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 0.00 131 H 7.90 4.41 0.00 3.27 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.27 4.13 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 133 G 8.22 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 0.00 0.00 0.00 0.00 134 Q 7.68 4.83 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.33 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 *136 T 7.88 4.25 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 1.27 0.00 0.00 137 V 7.44 3.74 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 0.96 0.00 0.00 0.94 0.00 0.00 138 L 7.66 4.26 0.00 1.79 1.69 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *140 R 8.20 4.21 0.00 2.21 1.98 0.00 3.23 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 141 Q 8.09 4.00 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 142 A 7.60 4.34 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 0.00 143 G 8.06 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 0.00 144 L 7.82 4.44 0.00 1.63 1.58 0.91 0.85 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 0.00 145 T 8.16 4.27 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 1.21 0.00 0.00 146 V 8.22 4.03 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 0.95 0.00 0.00 0.92 0.00 0.00 147 P 0.00 4.33 0.00 2.14 1.99 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 148 G 8.31 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 0.00 149 V 7.67 4.22 1.84 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 0.60 0.00 0.00 0.12 0.00 0.00 150 Y 8.59 4.26 0.00 3.21 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 * Residues marked with a * may have inaccurate shift predictions.