NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3951 8.3049 120.3356 55.3865 34.8423 175.1084 2 K 4.3324 7.5811 117.1050 55.4303 34.2204 174.0547 3 K 5.2839 10.4369 125.7206 54.7784 36.1019 174.4449 4 I 5.1764 8.9496 126.6030 59.4334 40.8772 174.0341 5 L 5.1413 9.0506 128.2116 53.2771 44.6790 174.5386 6 L 5.1421 9.3050 129.3013 53.7795 43.8175 174.8748 7 L 5.5307 9.4654 126.5081 53.0962 45.1748 175.2711 8 N 5.3756 9.1793 119.9450 51.7901 42.4636 175.0783 9 G 4.2719 9.1602 113.4553 43.6383 0.0000 170.7422 10 P 4.2672 0.0000 0.0000 64.5686 31.4139 176.5249 11 N 4.3950 9.5502 117.1326 53.7039 37.7988 176.3407 12 L 4.1091 7.4803 118.9675 57.2287 41.8211 178.7739 13 N 4.4660 8.0090 114.6889 55.0767 37.6034 175.4569 14 M 4.2847 7.9397 118.2715 55.4216 32.5798 176.0573 15 L 4.1099 7.6753 120.9626 56.2939 42.0698 178.1927 16 G 4.0113 8.8911 110.5911 45.9373 0.0000 173.8315 17 K 4.4281 7.9467 117.2636 56.1776 32.9012 177.1037 18 R 4.2392 7.7248 117.0809 57.2040 31.5651 177.2785 *25 S 4.4298 8.0350 110.8872 57.9508 63.9027 173.9609 26 Q 4.0948 8.0345 119.8636 56.5477 29.0373 175.9398 27 T 4.9379 8.6044 117.0053 58.9956 72.5534 175.2793 28 L 3.8095 8.1224 121.0220 58.2368 41.9406 178.3757 29 S 4.2055 7.8979 113.9566 60.9530 62.2758 175.7502 30 D 4.2841 7.6838 120.8071 57.4195 40.5024 178.9925 31 I 3.5790 7.2166 119.9587 64.1520 36.6396 178.3020 32 E 3.5868 8.0678 119.6734 59.4227 29.1454 179.5072 33 Q 3.8440 7.9893 118.2898 59.0411 28.7577 178.3034 34 H 4.0254 8.1671 119.2050 59.2905 29.9027 177.3834 35 L 4.0218 8.0073 120.8121 57.6925 41.3901 179.2703 36 Q 4.0084 8.1087 119.5012 59.3031 29.0628 178.2929 37 Q 3.9743 8.2084 119.1601 59.0944 28.5676 178.7901 38 S 4.0584 8.1141 113.8445 61.2175 62.3389 176.1417 39 A 4.1258 8.2102 123.4759 55.4240 18.2309 179.6766 40 Q 4.7500 8.6368 117.8169 58.6592 28.5262 178.9457 41 A 4.1208 8.0745 120.9489 54.5233 18.4171 178.6172 42 Q 4.5183 7.5272 113.1816 55.5544 29.0107 176.2935 43 G 3.7585 8.1119 107.9423 45.8501 0.0000 173.0064 44 Y 4.7603 8.1425 116.0729 55.7127 41.8898 174.2213 45 E 4.9598 8.8883 122.7746 54.8581 32.0129 174.6257 46 L 5.2930 8.4224 127.0881 53.8601 45.1913 174.8497 47 D 5.2892 9.2545 126.1418 52.9369 43.8536 174.8863 48 Y 5.5202 7.7952 117.4449 55.9732 41.6157 173.9951 49 F 4.9365 9.0570 120.8542 57.6172 43.4411 172.5493 50 Q 5.3677 7.5038 123.8306 54.2901 32.0361 173.2887 51 A 4.3840 8.2299 124.7055 51.1813 22.2338 175.5452 52 N 4.8058 8.7584 115.4306 52.9543 39.3409 175.8158 53 G 4.5047 7.7126 104.2187 42.1709 0.0000 173.8116 54 E 3.8084 8.6050 121.1396 58.9988 29.4392 179.2803 55 E 3.8549 8.1047 118.8215 59.4548 29.8031 178.8696 56 S 4.1944 8.0944 114.5046 61.7056 63.0300 176.6333 57 L 4.1991 7.9714 121.1334 57.9745 41.3285 179.6616 58 I 3.5976 8.2124 120.1303 64.3694 37.0052 178.2730 59 N 4.1913 8.3179 117.6027 56.2476 38.1142 177.4770 60 R 3.9201 7.3886 120.4157 58.7009 30.3217 178.3789 61 I 3.8323 7.7253 119.7094 64.7274 37.1181 178.1184 62 H 4.2618 8.3485 117.2557 58.9842 27.9841 177.8305 63 Q 4.1245 8.3172 119.2189 58.1070 28.4932 177.7305 64 A 4.6365 7.8337 122.2917 50.8964 18.8175 176.7789 65 F 4.4706 7.4474 120.1521 59.9959 39.5933 175.1012 66 Q 3.5034 8.8562 125.0364 56.2696 25.6528 173.4318 67 N 4.9903 8.2741 113.3583 52.0143 38.9133 173.8837 68 T 4.8083 7.8585 115.4885 62.1301 71.1430 173.3744 69 D 4.8613 8.7922 124.9374 55.4483 42.1691 176.4712 70 F 4.8948 7.9617 118.9173 57.1060 43.0895 172.6057 71 I 5.2112 8.4039 125.2455 59.6213 40.8893 174.4548 72 I 5.1699 9.0521 126.9920 59.6854 39.8569 174.4339 73 I 5.0904 9.0466 127.3587 59.2610 41.6231 173.5171 74 N 5.4153 9.4959 128.5156 50.3248 40.0747 172.8103 75 P 4.5721 0.0000 0.0000 62.3455 33.0054 177.9486 76 G 3.6787 8.5544 108.8140 46.3927 0.0000 175.9945 77 A 4.1615 8.3881 121.7974 55.0199 18.7015 179.3501 78 F 4.9994 8.1116 113.4371 59.2779 39.3535 177.6380 79 T 4.0124 8.1278 111.9654 64.6626 68.6128 175.8669 80 H 4.9143 7.9875 117.4453 56.7730 29.1556 175.8539 81 T 4.6883 8.0265 107.3713 61.1998 70.5082 173.1884 82 S 4.5814 8.4545 118.2428 56.8146 61.1520 174.2386 83 V 3.3138 7.5904 126.9313 64.9447 31.3390 177.2074 84 A 3.8587 7.6629 120.4514 55.2365 18.2735 179.5288 85 I 3.6073 7.8454 118.5091 64.1119 37.1125 178.5444 86 R 3.8494 7.6764 119.7642 59.7884 29.9643 178.4607 87 D 4.3603 8.3290 118.2755 56.9231 40.6690 178.7713 88 A 3.9681 7.8028 121.7101 55.1444 17.7892 179.6790 89 L 3.8839 7.9217 117.5664 57.8809 41.2818 179.8159 90 L 4.1390 8.1481 118.8188 57.5715 41.2950 179.3086 91 A 3.8896 7.8091 120.1320 54.8463 18.4217 179.3010 92 V 3.6344 7.4584 107.5195 60.6877 32.5666 176.1407 93 S 3.7650 7.5665 113.8823 59.7766 60.9544 172.4784 94 I 4.4847 7.0175 116.1424 58.6199 39.1879 174.6177 95 P 4.4654 0.0000 0.0000 62.8108 32.4193 175.3201 96 F 5.6965 7.9131 116.5217 54.5504 42.1031 172.9274 97 I 4.8939 8.5987 119.7108 59.5674 40.3904 174.0410 98 E 5.0222 8.9424 128.0047 55.1714 31.1810 174.8948 99 V 4.8334 8.7480 126.4402 61.4146 35.1739 173.8500 100 H 4.8465 8.7886 123.0838 54.1427 32.6308 174.2213 101 L 4.0677 8.9229 123.5367 57.7530 42.3884 177.9041 102 S 4.6423 7.9041 111.0067 56.7328 64.8675 173.3470 103 N 4.5703 8.3173 119.3679 52.4868 38.0008 175.7584 104 V 3.6152 8.1480 120.7246 64.5560 31.8576 178.4814 105 H 4.1111 7.9940 115.3772 57.5906 28.5905 175.8093 106 A 4.4880 7.8436 120.9070 52.0273 19.4450 177.4021 107 R 4.7268 7.1377 116.3987 54.8643 32.2065 175.9404 108 E 3.9277 8.1634 118.4522 56.6426 30.2608 176.0990 109 P 3.5142 0.0000 0.0000 65.4287 31.5007 178.6674 110 F 4.3317 7.6849 111.3705 58.9124 37.9216 175.8932 111 R 3.7780 7.0429 119.2203 56.7326 30.0451 176.7256 112 H 4.5308 7.9650 115.0551 56.8255 29.1897 174.6042 113 H 4.8780 7.9716 119.0888 54.1204 31.6399 173.2927 114 S 4.8742 7.8547 119.1503 57.0126 65.1512 173.0847 115 Y 4.6262 9.0242 124.1403 58.3598 38.3509 175.9683 116 L 4.8222 7.8080 120.1728 56.0473 44.3897 178.5135 117 S 4.1934 8.7629 115.5328 61.7927 62.8511 176.4969 118 D 4.4170 8.1441 117.2691 55.2449 39.3693 176.9895 119 V 4.1933 7.7173 111.1546 60.8850 32.5937 175.8176 120 A 2.7684 7.1605 123.3036 50.8705 19.0130 177.7248 121 K 4.0004 8.1992 122.6258 59.4856 33.0100 176.8945 122 G 4.0318 7.3219 104.5294 45.4988 0.0000 172.1852 123 V 5.1216 8.1063 118.7811 61.0423 34.9921 174.4346 124 I 4.7373 8.8597 127.7966 59.5730 40.3605 174.2478 125 C 5.1348 8.6979 121.4004 57.8676 32.1665 174.5019 126 G 3.9502 9.2796 111.4590 45.4440 0.0000 173.4604 127 L 4.4697 7.7345 117.9939 53.7499 42.4262 178.5946 128 G 3.8294 8.1456 108.9431 45.6675 0.0000 174.6621 129 A 4.2205 8.6032 118.9439 55.3812 18.2714 180.0523 130 K 4.0935 7.5549 117.7660 58.5272 31.9937 179.3415 131 G 3.6250 8.0347 106.5872 48.0435 0.0000 175.3850 132 Y 4.1437 7.9869 118.9431 60.8028 37.3131 178.2579 133 D 4.3675 7.7895 119.4947 57.6199 40.9390 178.2511 134 Y 4.4198 7.5419 117.0467 60.9986 37.7550 178.3624 135 A 4.0850 8.2132 121.8541 55.0899 18.5148 179.4477 136 L 3.8517 8.1711 118.8871 58.2201 42.1694 178.6094 137 D 4.2768 8.2789 118.0262 57.3495 41.1568 178.0867 138 F 3.9420 8.7262 122.2847 60.5568 39.3554 176.7589 139 A 2.5800 7.9250 120.5638 54.8865 18.0377 179.6994 140 I 3.0548 7.4193 118.3217 64.2623 37.1099 178.8350 141 S 4.0127 7.7120 115.0962 61.3851 62.4280 176.5203 142 E 3.8572 7.4245 121.3937 59.1119 29.0513 179.0526 143 L 4.2007 7.9514 118.7395 57.3779 41.3923 179.5404 144 Q 4.1589 7.7751 118.2013 58.3835 28.7435 177.6422 145 K 4.3605 7.4146 116.1729 57.2319 32.7721 176.8176 146 I 4.1375 7.3557 125.2680 61.4943 38.2685 174.6812 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 8.30 4.40 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 2 K 7.58 4.33 0.00 2.17 1.92 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.63 7.81 3 K 10.44 5.28 0.00 1.83 1.67 0.00 1.98 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.59 7.81 4 I 8.95 5.18 1.97 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 1.19 0.64 1.07 0.00 0.00 5 L 9.05 5.14 0.00 1.81 1.59 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.31 5.14 0.00 1.90 1.83 1.19 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.47 5.53 0.00 1.66 1.65 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.18 5.38 0.00 2.63 2.68 0.00 0.00 6.63 6.96 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 9 G 9.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.27 0.00 1.84 1.63 0.00 3.77 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 1.44 0.44 0.00 11 N 9.55 4.39 0.00 2.88 2.98 0.00 0.00 6.84 6.56 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 12 L 7.48 4.11 0.00 1.77 1.71 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.01 4.47 0.00 2.79 3.09 0.00 0.00 6.05 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 14 M 7.94 4.28 0.00 2.07 2.26 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 2.58 2.62 0.00 15 L 7.68 4.11 0.00 1.77 1.59 0.92 0.85 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 16 G 8.89 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 17 K 7.95 4.43 0.00 1.83 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.51 7.81 18 R 7.72 4.24 0.00 1.78 1.96 0.00 3.24 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *25 S 8.03 4.43 0.00 3.84 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 26 Q 8.03 4.09 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 27 T 8.60 4.94 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 1.22 0.00 0.00 28 L 8.12 3.81 0.00 1.88 1.63 0.79 0.70 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 29 S 7.90 4.21 0.00 3.88 3.80 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 0.00 0.00 0.00 30 D 7.68 4.28 0.00 2.82 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 31 I 7.22 3.58 1.68 0.00 0.00 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 1.33 0.67 0.26 0.00 0.00 32 E 8.07 3.59 0.00 1.47 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 0.00 0.00 0.00 2.07 2.33 0.00 33 Q 7.99 3.84 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 34 H 8.17 4.03 0.00 3.22 3.39 0.00 5.59 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 35 L 8.01 4.02 0.00 1.91 1.70 0.99 0.84 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 36 Q 8.11 4.01 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 37 Q 8.21 3.97 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 38 S 8.11 4.06 0.00 3.82 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 39 A 8.21 4.13 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 40 Q 8.64 4.75 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 41 A 8.07 4.12 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 42 Q 7.53 4.52 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.13 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 43 G 8.11 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 44 Y 8.14 4.76 0.00 3.08 2.87 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 0.00 0.00 0.00 45 E 8.89 4.96 0.00 2.11 1.86 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 2.28 2.28 0.00 46 L 8.42 5.29 0.00 1.73 1.57 1.00 1.35 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 47 D 9.25 5.29 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.80 5.52 0.00 2.95 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 49 F 9.06 4.94 0.00 3.13 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 50 Q 7.50 5.37 0.00 1.96 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 51 A 8.23 4.38 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 52 N 8.76 4.81 0.00 2.72 2.81 0.00 0.00 6.64 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 53 G 7.71 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 54 E 8.60 3.81 0.00 1.81 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 1.57 1.47 0.00 55 E 8.10 3.85 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 56 S 8.09 4.19 0.00 4.08 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 0.00 57 L 7.97 4.20 0.00 1.81 1.81 1.28 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.21 3.60 1.82 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 1.40 0.66 0.62 0.00 0.00 59 N 8.32 4.19 0.00 2.82 2.78 0.00 0.00 6.66 8.50 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 60 R 7.39 3.92 0.00 0.83 1.77 0.00 2.97 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.35 0.00 61 I 7.73 3.83 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.87 0.00 0.00 62 H 8.35 4.26 0.00 3.27 3.29 0.00 5.64 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 63 Q 8.32 4.12 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 64 A 7.83 4.64 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 65 F 7.45 4.47 0.00 2.97 3.09 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 66 Q 8.86 3.50 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 67 N 8.27 4.99 0.00 2.89 2.94 0.00 0.00 6.76 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.86 4.81 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 1.36 0.00 0.00 69 D 8.79 4.86 0.00 2.77 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 70 F 7.96 4.89 0.00 3.13 2.86 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 71 I 8.40 5.21 1.94 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 1.30 0.95 0.98 0.00 0.00 72 I 9.05 5.17 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 1.12 0.00 0.00 73 I 9.05 5.09 1.92 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 1.23 1.96 1.02 0.00 0.00 74 N 9.50 5.42 0.00 2.82 3.04 0.00 0.00 6.84 7.95 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 75 P 0.00 4.57 0.00 2.40 2.36 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 76 G 8.55 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 77 A 8.39 4.16 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 F 8.11 5.00 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.13 4.01 4.47 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 1.46 0.00 0.00 80 H 7.99 4.91 0.00 3.39 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.03 4.69 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 1.35 0.00 0.00 82 S 8.45 4.58 0.00 3.59 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 83 V 7.59 3.31 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 0.89 0.00 0.00 -0.11 0.00 0.00 84 A 7.66 3.86 1.17 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 0.00 0.00 85 I 7.85 3.61 1.81 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 1.32 0.45 0.85 0.00 0.00 86 R 7.68 3.85 0.00 1.99 2.13 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 87 D 8.33 4.36 0.00 2.79 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 88 A 7.80 3.97 1.30 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 0.00 0.00 89 L 7.92 3.88 0.00 1.65 1.46 0.05 0.21 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 90 L 8.15 4.14 0.00 1.83 1.72 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.81 3.89 1.21 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 92 V 7.46 3.63 2.29 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 0.74 0.00 0.00 1.03 0.00 0.00 93 S 7.57 3.77 0.00 4.12 3.98 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 94 I 7.02 4.48 1.92 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 1.47 0.92 0.92 0.00 0.00 95 P 0.00 4.47 0.00 1.58 1.84 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 96 F 7.91 5.70 0.00 3.09 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 97 I 8.60 4.89 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 0.99 0.00 0.00 98 E 8.94 5.02 0.00 2.30 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 2.31 2.31 0.00 99 V 8.75 4.83 1.65 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 0.26 0.00 0.00 0.80 0.00 0.00 100 H 8.79 4.85 0.00 3.05 3.19 0.00 5.67 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 0.00 101 L 8.92 4.07 0.00 1.64 1.75 1.00 1.08 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 0.00 102 S 7.90 4.64 0.00 3.96 3.87 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 0.00 0.00 0.00 103 N 8.32 4.57 0.00 2.74 2.76 0.00 0.00 6.88 7.71 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 0.00 104 V 8.15 3.62 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 0.65 0.00 0.00 0.61 0.00 0.00 105 H 7.99 4.11 0.00 3.24 3.22 0.00 5.64 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 0.00 106 A 7.84 4.49 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 0.00 107 R 7.14 4.73 0.00 1.74 1.72 0.00 3.14 0.00 0.00 3.16 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 108 E 8.16 3.93 0.00 1.16 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 2.35 2.27 0.00 109 P 0.00 3.51 0.00 2.10 2.00 0.00 3.48 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 2.06 1.98 0.00 110 F 7.68 4.33 0.00 3.00 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 0.00 111 R 7.04 3.78 0.00 1.65 1.80 0.00 2.91 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.00 112 H 7.96 4.53 0.00 3.20 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.97 4.88 0.00 3.07 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.85 4.87 0.00 3.83 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 0.00 115 Y 9.02 4.63 0.00 3.10 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 0.00 116 L 7.81 4.82 0.00 1.85 1.98 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.76 4.19 0.00 3.84 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 0.00 118 D 8.14 4.42 0.00 2.79 2.80 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 0.00 0.00 0.00 119 V 7.72 4.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.23 0.00 0.00 120 A 7.16 2.77 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 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.20 4.00 0.00 1.63 1.91 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.84 1.53 7.81 122 G 7.32 4.03 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 0.00 0.00 0.00 123 V 8.11 5.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 124 I 8.86 4.74 1.84 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 1.27 0.82 0.98 0.00 0.00 125 C 8.70 5.13 0.00 2.89 2.86 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 0.00 126 G 9.28 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 0.00 0.00 0.00 127 L 7.73 4.47 0.00 1.73 1.83 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.15 3.83 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 0.00 0.00 0.00 129 A 8.60 4.22 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 0.00 130 K 7.55 4.09 0.00 1.82 1.34 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.30 7.81 131 G 8.03 3.62 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 0.00 0.00 0.00 132 Y 7.99 4.14 0.00 3.09 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 D 7.79 4.37 0.00 2.42 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 0.00 134 Y 7.54 4.42 0.00 3.15 2.91 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 0.00 135 A 8.21 4.09 1.49 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 0.00 0.00 0.00 136 L 8.17 3.85 0.00 1.89 1.89 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.28 4.28 0.00 2.84 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 0.00 138 F 8.73 3.94 0.00 3.17 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 0.00 139 A 7.92 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.42 3.05 1.74 0.00 0.00 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 0.51 0.50 0.62 0.00 0.00 141 S 7.71 4.01 0.00 3.85 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 0.00 142 E 7.42 3.86 0.00 1.83 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 1.48 2.41 0.00 143 L 7.95 4.20 0.00 1.79 1.87 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.78 4.16 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.21 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 145 K 7.41 4.36 0.00 1.91 1.87 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.43 7.81 146 I 7.36 4.14 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.98 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.