NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5054 8.1627 120.3606 55.9377 34.4753 177.4098 2 M 4.0278 7.9916 117.7010 57.7248 32.2866 176.1768 3 D 4.4011 8.3335 118.1429 57.1282 41.9015 176.9851 4 Y 4.1153 8.0499 119.7745 60.8228 38.9227 177.9096 5 L 3.9301 8.1771 119.8440 57.5995 41.4203 179.7450 6 I 3.6964 7.4276 118.5927 64.8531 37.2165 178.3521 7 T 4.1194 7.7311 115.0841 65.6063 68.3180 175.6026 8 Q 4.3814 7.9557 118.2045 55.2802 29.1496 175.0690 9 N 4.1014 7.9700 112.2856 54.7639 35.9350 175.5790 10 G 3.9617 8.4555 103.0114 44.7639 0.0000 175.0452 11 G 4.0132 8.1258 109.3137 47.9502 0.0000 175.6222 12 M 4.1770 8.0542 118.3365 58.1463 31.1586 178.7504 13 V 3.5173 7.6878 113.9368 64.4558 31.5940 178.3806 14 F 4.3976 7.8725 116.7723 60.3014 38.8771 177.4890 15 A 4.1424 8.0445 120.2203 54.7562 18.2515 179.7255 16 V 3.4962 7.9633 117.0797 66.1419 31.6558 177.8671 17 L 4.0002 8.1662 119.9577 58.1437 41.8396 178.7731 18 A 4.2283 8.1716 121.8790 54.9492 18.3774 179.4340 19 M 3.9875 8.1101 116.8751 58.4631 32.0359 178.7012 20 A 3.9793 8.0871 121.0019 55.3919 18.4287 179.6016 21 T 3.9679 8.4473 108.2733 65.1763 68.3013 176.0943 22 A 4.1031 8.1792 124.3811 54.9590 18.3860 179.8052 23 T 3.7801 7.9442 113.8585 66.8885 68.5730 177.0331 24 I 3.5176 7.9907 121.9070 64.5756 37.1591 178.6984 25 F 4.1488 7.8006 118.3800 60.3518 38.7132 178.0969 26 S 4.2904 7.8324 113.9603 61.3620 62.8424 176.7635 27 G 3.5981 8.2351 109.4188 47.5373 0.0000 175.6590 28 I 3.7791 8.1736 122.8720 63.9457 37.1384 178.6167 29 G 3.6647 7.9782 106.4249 48.0516 0.0000 175.9255 30 S 4.4745 8.3244 119.0442 60.6575 62.8108 176.4962 31 A 4.0075 8.4021 123.8488 55.2365 17.9965 179.9312 32 K 4.0166 8.3784 117.1626 59.3830 32.1443 179.9507 33 G 3.5496 8.1565 105.9579 47.9101 0.0000 175.9283 34 V 3.9508 7.7684 123.3533 64.7597 31.4730 178.2006 35 G 3.6026 8.3169 105.6681 48.1453 0.0000 175.2922 36 M 4.3009 8.2474 123.1378 57.9711 32.2820 178.4706 37 T 4.0223 8.0890 116.0727 66.5026 68.5115 176.8842 38 G 3.7776 8.4864 108.1097 47.8581 0.0000 175.6187 39 E 3.9671 8.2724 120.5504 59.1817 29.5027 179.3001 40 A 4.0711 7.9406 120.1498 55.0615 18.4642 179.4885 41 A 3.9456 8.6454 119.4534 55.2229 18.3125 179.6746 42 A 3.9674 8.3905 119.3328 55.3343 18.2522 179.7584 43 A 3.9539 7.7824 118.1318 55.1212 18.7564 179.2558 44 L 4.0632 7.9929 118.8970 58.7375 41.7901 179.4219 45 T 4.2702 8.1094 115.5269 66.3425 68.0715 176.6718 46 T 4.0029 7.6588 111.7752 63.8141 68.7289 175.6255 47 S 4.6811 7.4695 112.1622 58.1936 66.3011 174.3975 48 Q 4.7691 8.4065 120.5235 53.4894 28.8142 174.3377 49 P 4.4792 0.0000 0.0000 64.7512 32.1527 178.9503 50 E 4.1548 8.1623 116.2241 58.2593 29.8995 177.3357 51 K 4.4362 8.1264 119.3067 56.4023 32.6245 177.7256 52 F 4.2768 8.3412 123.5258 61.6605 38.9865 177.5539 53 G 3.4644 8.1418 104.3043 48.0395 0.0000 175.5067 54 Q 3.9672 7.9896 120.1715 58.3553 28.7659 178.5298 55 A 3.9337 7.8530 121.9879 54.9569 18.4914 179.4644 56 L 3.6867 7.8658 119.2827 58.0825 41.5752 179.1694 57 I 3.6144 7.3404 119.5006 64.4399 36.8452 178.2695 58 L 3.9782 7.5193 118.3233 57.9809 41.4623 179.1507 59 Q 4.0628 8.1203 119.3149 58.9017 28.9457 177.8402 60 L 4.2587 7.6765 118.5162 55.9317 41.6144 178.8383 61 L 3.9356 7.2575 118.3496 57.6242 41.7100 176.8474 62 P 5.2711 0.0000 0.0000 62.6646 31.0145 177.8147 63 G 3.8231 8.1508 106.6248 46.0115 0.0000 176.0200 64 T 3.7698 7.6849 111.5011 63.6511 69.2360 176.5323 65 Q 4.3222 8.2716 121.0916 59.3871 28.7826 179.4598 66 G 3.6862 8.2466 106.1878 47.7075 0.0000 175.7180 67 L 3.9634 7.1396 118.6307 57.8199 41.5616 179.0197 68 Y 4.2588 7.9040 117.1258 61.1662 37.8117 179.1683 69 G 4.2315 8.3628 107.9457 47.2624 0.0000 175.4178 70 F 4.1678 8.5128 123.2500 61.1175 39.3230 177.3688 71 V 3.7597 8.4161 117.9396 66.2408 31.4157 177.9118 72 I 3.8096 8.4422 119.4529 64.5582 36.9996 178.3008 73 A 4.0111 8.2671 121.5494 55.1024 18.1782 179.5066 74 F 3.9840 8.3412 119.4050 61.0677 39.1826 177.2417 75 L 3.9359 8.1226 119.7168 58.0699 42.1663 178.7585 76 I 3.5602 7.6888 119.8521 63.9961 36.9163 177.9471 77 F 3.9761 8.0018 121.7776 61.2306 39.0078 176.8692 78 I 3.5225 7.1097 109.2846 62.2007 37.2796 175.9054 79 N 4.6633 7.3166 116.9332 52.7718 39.1590 173.9777 80 L 3.9949 7.5825 122.2840 54.1063 41.8027 176.2787 81 G 4.1771 8.0551 114.3232 43.7357 0.0000 172.6193 82 S 4.3133 8.6100 115.2190 59.4136 63.2863 174.1183 83 D 4.7305 7.8447 120.2974 53.4944 39.4379 175.4268 84 M 4.4981 7.4221 119.6486 55.0413 33.1757 176.8270 85 S 4.5142 8.5799 120.8567 57.5932 65.7295 175.3265 86 V 3.7191 8.3002 121.0301 66.2778 31.0980 178.1242 87 V 3.5464 7.7001 117.4068 66.0851 31.3986 177.8971 88 Q 3.9580 8.0060 117.9081 58.6850 28.4993 178.8970 89 G 4.1224 8.3413 108.2486 47.4957 0.0000 175.7644 90 L 3.9363 8.3264 122.2806 57.2882 41.5779 179.1870 91 N 4.2152 8.2562 116.5677 56.5121 38.2464 177.3753 92 F 4.2992 8.0475 117.9873 60.3303 39.3815 177.2108 93 L 4.3360 8.1503 120.1393 58.3494 41.6642 179.3439 94 G 3.6844 8.5201 105.7465 47.7626 0.0000 175.4371 95 A 4.0856 8.1909 123.2065 54.8506 18.4687 179.5867 96 S 4.3171 8.0839 111.9382 60.7260 63.2662 176.7659 97 L 4.2001 7.7300 123.0390 57.3754 41.4454 177.2176 98 P 4.3612 0.0000 0.0000 65.9337 31.3408 178.5173 99 I 3.8653 7.9797 116.9904 63.7368 37.8496 177.4753 100 A 3.9315 7.9928 121.6217 55.3661 18.1964 179.3582 101 F 4.5077 8.3434 115.5162 59.8920 39.4087 178.6194 102 T 4.2254 8.2594 109.8329 64.6453 68.5017 176.8377 103 G 3.7255 8.3111 108.5644 47.6167 0.0000 174.9426 104 L 3.9823 8.0600 123.6173 58.2276 42.0179 179.2696 105 F 4.2758 8.4439 117.4957 60.4003 38.9971 178.1545 106 S 4.4084 8.7113 114.3592 61.2343 62.8579 176.7139 107 G 3.6927 8.3149 109.3850 47.7156 0.0000 175.7583 108 I 3.7155 7.6279 122.1632 64.0491 37.0602 178.3923 109 A 4.0527 8.1955 121.6321 55.3317 18.2671 179.5069 110 Q 4.0695 8.8764 118.5966 59.0434 29.0298 178.3670 111 G 3.7485 8.1885 106.9626 47.9796 0.0000 175.7047 112 K 4.0022 7.8934 120.8583 59.0574 31.9495 179.7255 113 V 3.5585 7.6666 118.3724 65.9399 31.3013 177.9246 114 A 3.9956 8.2937 119.4795 55.1596 18.6190 179.1105 115 A 4.0746 8.4521 119.4216 55.3195 18.4454 179.7545 116 A 4.1017 8.1632 119.4007 55.1574 18.3930 180.0007 117 G 3.7333 8.4148 104.6163 48.0854 0.0000 175.8748 118 I 3.7871 7.6146 121.4642 64.4686 37.0705 178.4724 119 Q 4.0199 8.0503 118.5126 58.6420 28.3776 178.7739 120 I 3.7402 7.6382 120.6743 64.2922 37.0622 177.7941 121 L 3.8455 7.7410 119.6432 58.1537 41.9001 178.6291 122 A 4.1370 8.0215 119.7601 54.9245 18.4520 179.0093 123 K 4.3386 7.9602 114.8431 57.0848 34.5437 177.5783 124 K 4.7069 8.5669 118.1002 53.4854 32.5691 174.8844 125 P 4.4825 0.0000 0.0000 65.6328 31.6721 179.1234 126 E 4.0933 8.1726 114.9572 58.2269 29.9417 176.8581 127 H 4.7707 8.5245 116.8295 55.5484 29.5636 175.8964 128 A 4.0471 7.8688 124.6725 55.7749 17.9424 180.5742 129 T 3.8181 7.9399 113.6213 66.7191 68.4430 176.6206 130 K 3.7583 8.1363 120.6797 59.2340 32.0001 179.5456 131 G 3.7553 7.9399 105.7262 47.7433 0.0000 175.7537 132 I 3.6944 7.6803 121.6825 64.2196 36.9683 178.3553 133 I 3.6172 7.4661 119.0275 64.3781 36.9672 177.8879 134 F 4.6341 7.7494 118.3650 61.0148 38.7041 177.8191 135 A 4.0811 8.2192 119.7509 55.1449 17.9903 179.5202 136 A 4.0649 8.2478 118.4249 55.2277 18.4422 179.4223 137 M 4.2269 7.6731 116.5192 57.7510 32.5117 177.5419 138 V 4.0886 7.6743 120.3353 63.2677 31.6608 177.9357 *140 T 4.0560 8.0148 116.8687 63.6130 70.5410 176.3386 141 Y 4.2172 7.3060 118.1750 60.3251 37.8086 177.8993 142 A 4.1509 8.0692 121.7680 54.9270 18.5149 179.4873 143 I 3.2140 7.5662 117.9091 64.4463 37.2692 178.4660 144 L 4.0747 8.0039 119.8722 57.7486 41.4507 179.8382 145 G 3.8627 8.0823 106.9327 47.1731 0.0000 175.4903 146 F 4.2549 8.5596 123.4598 61.1031 39.3409 177.4424 147 V 3.4177 8.0592 117.9974 65.9152 31.2796 178.0783 148 I 3.6994 7.8327 119.5036 64.5462 36.9355 178.4954 149 S 4.3486 8.1133 117.2978 60.8773 62.7476 176.4767 150 F 3.7291 8.3837 123.4987 61.3810 38.8862 177.1647 151 L 4.0651 7.9376 117.0834 57.9121 41.3402 179.3296 152 L 4.1022 8.1849 118.9517 57.3708 41.1762 179.6867 153 V 3.7131 7.9186 118.6334 65.9824 31.2968 178.1419 154 L 4.0849 7.5650 117.1250 56.5486 41.4326 177.8605 155 N 4.7337 7.0940 113.2194 52.9920 39.2186 174.1585 156 A 3.8211 7.1864 126.1247 52.6210 18.2740 177.7351 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 M 8.16 4.51 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 2 M 7.99 4.03 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.77 0.00 3 D 8.33 4.40 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 4 Y 8.05 4.12 0.00 3.10 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 5 L 8.18 3.93 0.00 1.84 1.75 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.43 3.70 1.88 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 1.54 0.55 0.91 0.00 0.00 7 T 7.73 4.12 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 8 Q 7.96 4.38 0.00 1.16 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.12 2.42 0.00 9 N 7.97 4.10 0.00 2.80 3.05 0.00 0.00 7.02 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 10 G 8.46 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 11 G 8.13 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 12 M 8.05 4.18 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 13 V 7.69 3.52 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 0.73 0.00 0.00 0.18 0.00 0.00 14 F 7.87 4.40 0.00 3.35 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 15 A 8.04 4.14 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 16 V 7.96 3.50 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 0.99 0.00 0.00 0.97 0.00 0.00 17 L 8.17 4.00 0.00 2.00 2.02 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.17 4.23 1.59 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 19 M 8.11 3.99 0.00 2.07 2.27 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 2.70 2.76 0.00 20 A 8.09 3.98 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 21 T 8.45 3.97 4.49 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 0.00 0.00 0.00 1.50 0.00 0.00 22 A 8.18 4.10 1.55 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 0.00 0.00 23 T 7.94 3.78 4.37 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 1.29 0.00 0.00 24 I 7.99 3.52 1.41 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.18 0.00 0.00 25 F 7.80 4.15 0.00 2.83 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 26 S 7.83 4.29 0.00 4.12 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 0.00 27 G 8.24 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 3.78 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.89 0.00 0.00 29 G 7.98 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 0.00 0.00 0.00 30 S 8.32 4.47 0.00 3.89 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 31 A 8.40 4.01 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 32 K 8.38 4.02 0.00 2.01 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 G 8.16 3.55 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 0.00 0.00 0.00 34 V 7.77 3.95 2.17 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 1.18 0.00 0.00 0.96 0.00 0.00 35 G 8.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 4.30 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 37 T 8.09 4.02 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 38 G 8.49 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 39 E 8.27 3.97 0.00 2.27 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 2.33 2.52 0.00 40 A 7.94 4.07 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 41 A 8.65 3.95 1.37 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 0.00 0.00 42 A 8.39 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.78 3.95 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 44 L 7.99 4.06 0.00 1.81 1.87 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.11 4.27 4.43 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 1.25 0.00 0.00 46 T 7.66 4.00 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 1.27 0.00 0.00 47 S 7.47 4.68 0.00 4.08 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 48 Q 8.41 4.77 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.48 0.00 2.20 2.42 0.00 3.76 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 2.07 1.95 0.00 50 E 8.16 4.15 0.00 2.12 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 2.30 2.29 0.00 51 K 8.13 4.44 0.00 2.01 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.38 7.81 52 F 8.34 4.28 0.00 3.24 3.12 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 0.00 53 G 8.14 3.46 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 0.00 0.00 0.00 54 Q 7.99 3.97 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 7.85 3.93 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 56 L 7.87 3.69 0.00 0.98 1.37 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.34 3.61 1.95 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 1.45 0.85 0.86 0.00 0.00 58 L 7.52 3.98 0.00 1.76 1.73 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.12 4.06 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 60 L 7.68 4.26 0.00 1.82 1.63 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.26 3.94 0.00 1.85 1.75 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.27 0.00 2.19 2.07 0.00 4.06 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 63 G 8.15 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.68 3.77 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 1.05 0.00 0.00 65 Q 8.27 4.32 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 66 G 8.25 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 0.00 0.00 0.00 67 L 7.14 3.96 0.00 1.52 1.51 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.90 4.26 0.00 3.24 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 69 G 8.36 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 0.00 0.00 0.00 0.00 70 F 8.51 4.17 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 71 V 8.42 3.76 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 1.53 0.00 0.00 1.16 0.00 0.00 72 I 8.44 3.81 2.20 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 2.14 1.01 1.00 0.00 0.00 73 A 8.27 4.01 1.37 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 0.00 0.00 74 F 8.34 3.98 0.00 2.78 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 75 L 8.12 3.94 0.00 1.89 1.86 0.83 0.68 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 76 I 7.69 3.56 1.89 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 1.46 0.78 0.38 0.00 0.00 77 F 8.00 3.98 0.00 3.00 2.82 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 0.00 0.00 0.00 78 I 7.11 3.52 1.68 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 0.58 0.44 0.00 0.00 79 N 7.32 4.66 0.00 2.63 2.87 0.00 0.00 6.88 7.39 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 80 L 7.58 3.99 0.00 1.46 1.23 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.06 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 82 S 8.61 4.31 0.00 3.96 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 83 D 7.84 4.73 0.00 2.79 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 84 M 7.42 4.50 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 85 S 8.58 4.51 0.00 4.10 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 86 V 8.30 3.72 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 1.08 0.00 0.00 1.06 0.00 0.00 87 V 7.70 3.55 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 0.96 0.00 0.00 0.90 0.00 0.00 88 Q 8.01 3.96 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 89 G 8.34 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 0.00 0.00 0.00 0.00 90 L 8.33 3.94 0.00 1.53 1.58 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.26 4.22 0.00 2.67 2.62 0.00 0.00 7.02 7.66 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 92 F 8.05 4.30 0.00 3.24 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 93 L 8.15 4.34 0.00 2.18 1.94 1.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.52 3.68 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 0.00 95 A 8.19 4.09 1.40 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 0.00 0.00 96 S 8.08 4.32 0.00 4.27 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 0.00 97 L 7.73 4.20 0.00 1.84 1.98 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.37 2.18 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 7.98 3.87 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.44 1.07 0.00 0.00 100 A 7.99 3.93 1.16 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 0.00 0.00 0.00 101 F 8.34 4.51 0.00 3.28 3.30 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 0.00 102 T 8.26 4.23 4.55 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 1.36 0.00 0.00 103 G 8.31 3.73 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 0.00 0.00 0.00 104 L 8.06 3.98 0.00 1.97 1.83 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.44 4.28 0.00 3.31 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 0.00 106 S 8.71 4.41 0.00 4.23 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 0.00 107 G 8.31 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 0.00 0.00 0.00 108 I 7.63 3.72 2.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.95 0.00 0.00 109 A 8.20 4.05 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 0.00 110 Q 8.88 4.07 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 111 G 8.19 3.75 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 0.00 0.00 0.00 112 K 7.89 4.00 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 113 V 7.67 3.56 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 1.20 0.00 0.00 1.01 0.00 0.00 114 A 8.29 4.00 1.40 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 0.00 0.00 115 A 8.45 4.07 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 0.00 116 A 8.16 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.41 3.73 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 0.00 0.00 0.00 118 I 7.61 3.79 2.06 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 1.72 0.90 0.95 0.00 0.00 119 Q 8.05 4.02 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 120 I 7.64 3.74 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 0.97 0.00 0.00 121 L 7.74 3.85 0.00 1.65 1.95 0.92 1.22 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 0.00 122 A 8.02 4.14 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 0.00 123 K 7.96 4.34 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.57 4.71 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.49 7.81 125 P 0.00 4.48 0.00 2.22 2.41 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 126 E 8.17 4.09 0.00 2.02 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 0.00 2.01 2.18 0.00 127 H 8.52 4.77 0.00 3.29 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.87 4.05 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 0.00 129 T 7.94 3.82 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 1.15 0.00 0.00 130 K 8.14 3.76 0.00 1.90 1.55 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.41 7.81 131 G 7.94 3.76 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 0.00 0.00 0.00 132 I 7.68 3.69 2.01 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 1.62 0.68 0.88 0.00 0.00 133 I 7.47 3.62 1.68 0.00 0.00 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 1.44 0.46 0.79 0.00 0.00 134 F 7.75 4.63 0.00 3.29 3.02 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 0.00 135 A 8.22 4.08 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 0.00 136 A 8.25 4.06 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 0.00 137 M 7.67 4.23 0.00 2.09 2.38 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 2.75 3.02 0.00 138 V 7.67 4.09 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 1.15 0.00 0.00 1.03 0.00 0.00 *140 T 8.01 4.06 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 0.71 0.00 0.00 141 Y 7.31 4.22 0.00 3.19 3.12 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 0.00 142 A 8.07 4.15 1.46 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 0.00 0.00 143 I 7.57 3.21 1.88 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 1.55 0.76 0.82 0.00 0.00 144 L 8.00 4.07 0.00 1.76 1.76 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.08 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 0.00 146 F 8.56 4.25 0.00 2.86 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 0.00 147 V 8.06 3.42 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 0.95 0.00 0.00 0.99 0.00 0.00 148 I 7.83 3.70 1.90 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 1.74 0.71 0.93 0.00 0.00 149 S 8.11 4.35 0.00 4.11 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 0.00 150 F 8.38 3.73 0.00 2.58 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 0.00 151 L 7.94 4.07 0.00 1.82 1.73 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.18 4.10 0.00 1.74 1.67 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.92 3.71 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 1.08 0.00 0.00 1.08 0.00 0.00 154 L 7.56 4.08 0.00 1.60 1.64 0.94 0.67 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 0.00 155 N 7.09 4.73 0.00 2.74 2.75 0.00 0.00 7.15 7.84 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 0.00 156 A 7.19 3.82 0.21 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.