NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2834 8.1593 117.3738 63.5563 69.8450 173.3379 2 S 4.4674 8.3003 120.3633 55.8078 65.1954 173.1982 3 K 3.9942 9.4476 122.6506 59.7633 32.7672 179.7496 4 K 3.8205 8.1202 118.1006 59.6920 31.8147 178.9267 5 K 4.0112 7.8080 117.5232 58.7299 32.0787 177.8121 6 R 4.4345 7.6477 116.1191 56.4282 30.6828 177.7082 7 Q 4.1597 8.0570 119.8037 57.1720 28.4151 176.0100 8 R 4.0112 7.5411 119.0175 58.6319 30.0977 176.2624 9 G 4.1054 9.0185 111.7134 45.6745 0.0000 174.1586 10 S 4.1989 8.0890 113.0268 58.4285 63.5416 174.4760 11 R 4.1276 8.0112 125.4033 57.5784 29.2167 176.5862 12 T 4.3247 7.6381 104.6200 61.0772 69.6665 174.0144 13 H 4.7767 8.3600 118.0975 56.0980 26.8189 175.8140 14 G 3.9431 8.3925 105.0311 45.8223 0.0000 174.7028 15 G 3.8085 8.2848 108.0320 45.6190 0.0000 175.8455 16 G 3.9343 7.9058 106.3389 44.6450 0.0000 173.7450 17 S 4.1916 8.6027 117.0099 58.7652 62.7440 174.9105 18 H 4.4688 8.7891 120.6014 56.9949 28.4155 175.9766 19 K 4.0496 7.6096 118.8291 57.3699 31.9631 177.7099 20 N 4.3551 7.5983 117.3216 55.9877 38.9871 177.2785 21 R 4.3255 7.4381 121.0653 56.2313 28.8679 177.7562 22 R 4.5898 7.3590 123.2392 56.2720 31.2538 179.3188 23 G 4.0281 8.4583 120.9409 45.9485 0.0000 173.5079 24 A 4.2558 8.6692 120.4918 54.4521 18.4576 180.0028 25 G 3.5560 8.0701 104.2936 47.8322 0.0000 174.7236 26 H 4.5967 8.0491 117.9428 57.5425 29.9662 175.6470 27 R 4.4304 7.4973 116.9755 55.8209 30.9382 175.5665 28 G 3.8290 8.5532 105.5831 46.7886 0.0000 174.8855 29 G 4.0365 8.1699 105.3891 44.2495 0.0000 174.5252 30 R 3.9962 8.5737 120.2398 57.2260 31.6801 176.5277 31 G 3.8363 8.2739 113.4364 47.4766 0.0000 173.3075 32 D 4.7229 8.5648 120.9319 54.1188 40.8444 175.6846 33 A 4.0303 7.5565 122.6697 53.7343 18.8839 179.2006 34 G 3.7401 8.9441 110.1722 45.2199 0.0000 175.0558 35 R 4.0228 7.9082 116.0734 56.9513 29.2280 177.2718 36 D 5.0719 7.8703 115.7200 52.6663 41.5080 175.9434 37 K 4.3204 8.7798 118.0343 56.8528 32.4141 178.3317 38 H 4.6003 9.7193 125.2600 58.4392 29.4367 176.0127 39 E 4.7732 7.3496 118.3084 55.6357 29.9537 178.1891 40 F 4.9469 8.3612 115.4378 59.3076 38.5051 175.1653 41 H 3.6005 6.6027 117.2455 57.3586 28.6583 174.3511 42 N 4.2470 8.7908 120.6540 54.9067 35.7992 173.7144 43 H 4.9250 7.6674 112.2645 53.5974 32.0696 174.0907 44 E 4.1739 8.6818 122.9339 55.2931 30.0102 175.2646 45 P 4.4390 0.0000 0.0000 62.7618 31.7843 176.1346 46 L 4.1235 8.0348 119.1303 55.0133 42.2119 175.8434 47 G 4.2303 8.0429 105.7435 43.5500 0.0000 173.2237 48 K 4.6291 8.0627 119.1995 54.8138 34.2378 176.4830 49 S 4.4021 8.4429 115.1652 58.1245 65.4065 175.7198 50 G 4.0735 9.0816 117.7571 45.2219 0.0000 171.5375 51 F 4.9959 8.4388 112.5736 55.5668 40.9645 173.2588 52 K 4.2337 8.2715 119.1441 54.4198 35.0469 176.5309 53 R 4.4477 8.0096 121.7162 54.0730 31.4942 174.6672 54 P 4.2783 0.0000 0.0000 63.2697 31.8846 177.1026 55 Q 3.8948 8.9335 120.5412 58.9320 28.7585 178.4489 56 K 4.3998 7.9429 114.2413 56.6859 32.7109 176.8606 57 V 4.3214 7.9623 116.5884 62.9232 32.1467 174.9643 58 Q 4.5812 7.4832 116.1784 54.7548 30.1095 174.7413 59 E 4.5184 8.5526 120.8111 54.4083 32.0760 175.0611 60 E 4.4383 8.3756 123.9404 54.2107 31.4372 174.3892 61 A 3.9045 8.2028 129.2543 51.3060 19.7574 176.3907 62 A 4.4070 9.2435 125.7645 51.1298 19.8607 176.9191 63 T 5.3791 7.9932 111.7803 60.6069 71.7657 173.8760 64 I 4.2095 7.6735 117.9063 60.3856 41.3481 172.6303 65 D 5.1868 8.4432 128.4420 53.4297 42.4330 177.8529 66 V 3.6243 8.6061 115.5938 64.6540 31.4411 178.7833 67 R 3.8742 7.8381 117.9298 59.6558 29.5669 178.1053 68 E 3.8891 7.9218 117.4092 59.3216 29.9636 178.4513 69 I 3.7826 7.6856 119.2834 64.5033 37.1279 177.5124 70 D 4.3059 8.5548 118.9522 57.6403 40.8896 178.2183 71 E 4.1902 8.3305 117.0437 58.0905 29.2480 177.1490 72 N 5.0265 7.9330 116.5122 52.8962 40.2675 177.1255 73 V 3.2024 7.5105 113.5522 64.7189 31.7504 178.7834 74 T 3.9285 7.6391 108.1469 64.8036 68.4378 175.4546 75 L 4.1016 7.2024 120.6489 56.9306 41.9341 177.1962 76 L 4.4045 7.6960 119.7036 53.8218 41.5755 178.3609 77 A 3.9817 8.1638 122.6624 55.3141 18.6915 178.1573 78 A 4.4944 7.7164 117.9021 51.8588 18.9920 177.4457 79 D 4.5219 8.2798 119.3746 56.0940 45.7354 176.3903 80 D 4.2330 7.5470 122.0505 49.2567 41.4705 175.4763 81 V 4.5481 8.2921 121.1660 61.0596 34.2261 174.7383 82 A 4.1831 8.2204 133.4578 51.5857 20.5113 177.4113 83 E 3.8206 8.9934 110.1484 59.7693 30.1281 174.3291 *89 F 4.6124 7.7501 114.2356 57.9317 41.0873 174.1839 90 R 5.1153 8.8054 120.5321 54.7944 32.3901 174.7354 91 V 4.4926 8.6057 125.9460 59.8913 35.0392 174.7495 92 D 4.7931 8.7115 123.6965 52.8116 40.7673 176.3997 93 V 3.6023 8.4751 128.2766 66.3681 31.5471 178.4488 94 R 3.4897 7.6656 117.0527 59.1228 29.8815 177.7211 95 D 4.6394 8.2841 116.6302 54.8442 41.2849 178.0816 96 V 3.9500 8.1452 119.5844 63.9140 32.4166 176.2068 97 V 3.5949 7.2893 116.8757 63.1430 31.6121 175.4886 98 E 4.2175 8.5816 125.9493 56.9971 30.2597 176.7573 99 E 4.2797 9.0265 116.9488 57.2986 26.8412 175.4789 100 A 4.4171 7.5172 119.5297 52.7448 18.6109 178.1169 101 D 4.7596 7.9307 117.7716 56.9415 42.2594 178.3125 102 D 4.4577 7.9773 116.3988 53.3237 38.1133 174.9016 103 A 4.8168 7.5966 122.6183 50.7660 21.0651 178.2766 104 D 4.4696 8.5965 121.4918 56.3999 41.7097 175.5602 105 Y 4.7376 6.4727 114.6480 56.8069 41.9624 172.3997 106 V 4.8035 9.0515 120.9455 61.2461 33.8129 174.3595 107 K 4.8749 9.2738 128.8898 54.5659 35.5118 174.5618 108 V 4.6179 8.2434 127.4281 61.6631 33.1434 174.7886 109 L 4.6805 9.3099 128.0361 52.5306 44.5185 176.7348 110 G 4.4838 8.1788 107.6572 45.3546 0.0000 173.5036 111 A 4.5623 8.1361 120.7265 51.8003 21.4675 179.4790 112 G 4.0293 8.9429 108.8080 44.5177 0.0000 172.2173 113 Q 4.4877 8.1138 117.0231 54.2037 30.9547 175.5749 114 V 4.2141 7.9311 117.5332 61.8311 32.8871 174.7885 115 R 4.3994 8.6093 125.8137 56.2719 30.2492 175.6215 116 H 5.2366 7.5869 114.3297 53.6585 33.0821 172.7126 117 E 4.9395 8.8089 117.7712 54.9992 30.3471 175.6743 118 L 5.0979 8.5991 124.1220 53.0444 45.9775 175.8701 119 T 4.9058 8.7972 119.6419 62.1120 70.4800 172.7196 120 L 5.1993 8.7512 127.2785 53.1109 44.2905 175.8521 121 I 5.7555 8.5886 123.8054 58.9591 39.9681 174.6919 122 A 4.7628 8.5973 127.1251 51.0143 22.1611 175.9671 123 D 4.4420 8.6841 117.3868 56.6685 41.9217 176.3099 124 D 4.5163 7.1424 115.5668 53.6977 44.4236 174.1646 125 F 5.5938 9.0266 120.1413 55.2812 43.5487 173.9944 126 S 4.7783 8.6383 114.8468 57.0717 65.5007 174.6770 127 E 4.0487 9.2018 121.0257 60.0779 29.2134 179.8734 128 G 3.7803 8.2930 104.4564 48.0085 0.0000 175.2240 129 A 4.0541 7.8072 122.7799 54.9586 18.3737 179.9496 130 R 3.7667 8.1182 116.4730 59.4626 30.2040 178.8296 131 E 3.9424 8.4190 118.6512 59.6235 29.4010 179.8676 132 K 3.9493 8.0070 118.0306 59.6246 32.3183 179.7534 133 V 3.6239 8.0159 118.3526 65.6404 31.2859 177.8302 134 E 4.7477 7.9611 120.1977 58.3431 29.3983 178.9598 135 G 3.8394 8.4175 104.7478 46.8819 0.0000 173.6445 136 A 4.5920 7.7584 123.6013 51.8371 19.3465 177.0372 137 G 4.1589 8.3885 105.9397 48.6670 0.0000 173.8697 138 G 4.4937 7.8495 106.2063 43.9238 0.0000 172.5116 139 S 5.0477 8.9671 112.8497 56.5193 67.0602 173.3098 140 V 4.5277 8.1168 119.8852 61.1701 33.7235 174.1893 141 E 4.6021 9.5660 129.0316 54.5574 31.6467 174.8459 142 L 4.9753 8.4566 127.0077 54.4619 43.1932 176.4501 143 T 4.1535 8.7522 123.2645 63.5810 69.6294 175.1867 144 D 4.3420 8.7423 121.4340 57.5224 41.0546 179.0538 145 L 3.9228 7.9662 119.9506 57.8061 42.2205 178.0335 146 G 3.7880 7.5589 106.4825 46.8913 0.0000 173.8766 147 E 4.3408 8.0208 120.6370 57.1179 29.4718 176.8470 148 E 4.8010 7.9318 113.0499 56.3332 30.3828 178.3575 149 R 4.5547 7.4691 116.2876 52.1070 30.9242 176.1457 150 Q 4.3056 7.8915 121.4043 56.8511 29.3141 173.0889 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 T 8.16 4.28 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 1.20 0.00 0.00 2 S 8.30 4.47 0.00 4.05 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 3 K 9.45 3.99 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.12 3.82 0.00 1.83 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.81 4.01 0.00 1.76 2.03 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.65 4.43 0.00 1.90 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 7 Q 8.06 4.16 0.00 1.83 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.97 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 8 R 7.54 4.01 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 9.02 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 0.00 0.00 0.00 10 S 8.09 4.20 0.00 3.98 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 11 R 8.01 4.13 0.00 1.97 2.09 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.64 4.32 4.32 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 1.31 0.00 0.00 13 H 8.36 4.78 0.00 3.18 3.38 0.00 5.70 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 14 G 8.39 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 15 G 8.28 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.91 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 17 S 8.60 4.19 0.00 3.88 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 18 H 8.79 4.47 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.61 4.05 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.31 7.81 20 N 7.60 4.36 0.00 2.75 2.61 0.00 0.00 6.97 7.11 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 21 R 7.44 4.33 0.00 1.76 1.88 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.36 4.59 0.00 1.73 1.04 0.00 3.23 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 23 G 8.46 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 24 A 8.67 4.26 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 25 G 8.07 3.56 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 0.00 0.00 0.00 26 H 8.05 4.60 0.00 3.11 3.47 0.00 5.90 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.50 4.43 0.00 1.90 1.89 0.00 3.37 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 28 G 8.55 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 29 G 8.17 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.57 4.00 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 31 G 8.27 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 32 D 8.56 4.72 0.00 2.73 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 33 A 7.56 4.03 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 34 G 8.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.91 4.02 0.00 1.60 1.89 0.00 3.00 0.00 0.00 3.27 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 36 D 7.87 5.07 0.00 2.74 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 37 K 8.78 4.32 0.00 1.76 1.45 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.51 7.81 38 H 9.72 4.60 0.00 3.32 3.47 0.00 5.46 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.35 4.77 0.00 1.93 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 2.23 2.10 0.00 40 F 8.36 4.95 0.00 3.24 3.23 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 41 H 6.60 3.60 0.00 2.90 3.03 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.79 4.25 0.00 2.79 2.85 0.00 0.00 6.87 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 43 H 7.67 4.92 0.00 3.32 3.18 0.00 5.85 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 44 E 8.68 4.17 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 45 P 0.00 4.44 0.00 2.19 2.10 0.00 3.79 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 2.01 2.02 0.00 46 L 8.03 4.12 0.00 1.66 1.64 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.04 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 48 K 8.06 4.63 0.00 1.75 1.74 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.44 4.40 0.00 3.79 3.70 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 50 G 9.08 4.07 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 0.00 0.00 0.00 51 F 8.44 5.00 0.00 3.14 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 52 K 8.27 4.23 0.00 1.66 1.60 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.34 7.81 53 R 8.01 4.45 0.00 1.73 1.86 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.39 0.00 54 P 0.00 4.28 0.00 2.22 2.22 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 8.93 3.89 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.94 4.40 0.00 1.85 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 57 V 7.96 4.32 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.48 4.58 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 59 E 8.55 4.52 0.00 1.94 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 2.46 2.28 0.00 60 E 8.38 4.44 0.00 1.94 1.71 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 2.15 2.19 0.00 61 A 8.20 3.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.24 4.41 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 63 T 7.99 5.38 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 64 I 7.67 4.21 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 1.33 1.20 0.94 0.00 0.00 65 D 8.44 5.19 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 66 V 8.61 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 67 R 7.84 3.87 0.00 1.97 2.01 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.92 3.89 0.00 2.01 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 2.31 2.34 0.00 69 I 7.69 3.78 2.00 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 1.52 0.38 0.90 0.00 0.00 70 D 8.55 4.31 0.00 2.79 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 71 E 8.33 4.19 0.00 1.95 1.98 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 2.34 2.57 0.00 72 N 7.93 5.03 0.00 2.67 2.70 0.00 0.00 6.85 7.83 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 73 V 7.51 3.20 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 0.53 0.00 0.00 0.28 0.00 0.00 74 T 7.64 3.93 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 1.19 0.00 0.00 75 L 7.20 4.10 0.00 1.58 1.76 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.70 4.40 0.00 1.86 1.66 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.16 3.98 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 78 A 7.72 4.49 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 79 D 8.28 4.52 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.55 4.23 0.00 3.00 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 81 V 8.29 4.55 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 0.35 0.00 0.00 0.92 0.00 0.00 82 A 8.22 4.18 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 0.00 0.00 0.00 0.00 0.00 83 E 8.99 3.82 0.00 1.99 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 2.24 1.94 0.00 *89 F 7.75 4.61 0.00 3.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.81 5.12 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.61 4.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 92 D 8.71 4.79 0.00 2.73 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 93 V 8.48 3.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 94 R 7.67 3.49 0.00 2.05 2.02 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 95 D 8.28 4.64 0.00 2.74 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 96 V 8.15 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 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.29 3.59 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 0.87 0.00 0.00 0.97 0.00 0.00 98 E 8.58 4.22 0.00 2.05 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 0.00 2.38 2.31 0.00 99 E 9.03 4.28 0.00 2.17 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 2.26 2.23 0.00 100 A 7.52 4.42 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 0.00 101 D 7.93 4.76 0.00 2.68 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 0.00 102 D 7.98 4.46 0.00 2.80 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 0.00 103 A 7.60 4.82 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 0.00 104 D 8.60 4.47 0.00 2.56 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 0.00 105 Y 6.47 4.74 0.00 3.13 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 0.00 106 V 9.05 4.80 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 0.90 0.00 0.00 0.93 0.00 0.00 107 K 9.27 4.87 0.00 2.02 1.65 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.52 7.81 108 V 8.24 4.62 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 1.00 0.00 0.00 0.78 0.00 0.00 109 L 9.31 4.68 0.00 1.76 1.56 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.18 4.48 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 0.00 0.00 0.00 111 A 8.14 4.56 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 0.00 112 G 8.94 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 0.00 113 Q 8.11 4.49 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.93 4.21 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 0.93 0.00 0.00 0.95 0.00 0.00 115 R 8.61 4.40 0.00 1.54 1.81 0.00 3.11 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 116 H 7.59 5.24 0.00 3.14 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.81 4.94 0.00 2.03 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 0.00 2.31 2.30 0.00 118 L 8.60 5.10 0.00 1.63 1.62 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.80 4.91 4.29 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 1.23 0.00 0.00 120 L 8.75 5.20 0.00 1.81 1.89 1.08 0.61 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 0.00 121 I 8.59 5.76 1.94 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 1.18 0.33 0.98 0.00 0.00 122 A 8.60 4.76 0.65 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 0.00 123 D 8.68 4.44 0.00 2.83 2.59 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 0.00 124 D 7.14 4.52 0.00 2.44 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 0.00 0.00 0.00 0.00 125 F 9.03 5.59 0.00 2.84 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 0.00 126 S 8.64 4.78 0.00 3.93 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 0.00 127 E 9.20 4.05 0.00 2.05 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 2.43 0.00 128 G 8.29 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 0.00 129 A 7.81 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.12 3.77 0.00 2.02 1.93 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 131 E 8.42 3.94 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 132 K 8.01 3.95 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.71 7.81 133 V 8.02 3.62 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 134 E 7.96 4.75 0.00 2.02 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 2.38 2.33 0.00 135 G 8.42 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 0.00 136 A 7.76 4.59 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 0.00 137 G 8.39 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 0.00 0.00 0.00 0.00 138 G 7.85 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 0.00 0.00 0.00 0.00 139 S 8.97 5.05 0.00 3.79 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 4.53 1.64 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 -0.97 0.00 0.00 0.46 0.00 0.00 141 E 9.57 4.60 0.00 1.91 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 2.23 2.21 0.00 142 L 8.46 4.98 0.00 1.67 1.61 1.21 1.08 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 0.00 143 T 8.75 4.15 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 1.26 0.00 0.00 144 D 8.74 4.34 0.00 2.71 2.72 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 0.00 145 L 7.97 3.92 0.00 1.61 1.84 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.56 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.34 0.00 2.07 1.98 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 2.35 2.46 0.00 148 E 7.93 4.80 0.00 1.83 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 2.17 2.55 0.00 149 R 7.47 4.55 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 150 Q 7.89 4.31 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.