NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.1825 8.2549 119.7090 55.9456 31.6848 174.0835 8 L 3.5157 8.1105 121.5830 52.6526 38.3820 173.5726 9 P 5.1035 0.0000 0.0000 61.5987 33.3057 181.1599 10 R 4.2803 9.0804 120.4772 56.4320 28.7524 177.1331 11 A 4.2096 9.2869 119.0601 53.0989 18.5459 180.5655 12 V 3.7183 7.9678 119.4329 64.7919 31.6367 178.6341 13 R 3.7754 7.3192 115.3389 59.5778 30.0422 177.5481 14 E 3.7625 8.0402 116.0795 60.1559 29.9599 178.2870 15 Q 4.1746 8.6377 119.4776 59.0865 29.0297 178.5195 16 Q 3.9469 7.6345 117.0861 56.5341 28.5682 177.8871 *18 L 4.2131 7.8998 122.6439 54.9728 44.0464 179.0171 19 D 4.3513 8.1681 118.2456 57.3540 40.6500 178.6894 20 A 4.0305 7.8336 121.0781 54.7568 18.3890 179.5992 21 A 3.6915 7.8325 119.1578 54.9484 18.5551 179.7331 22 V 3.6581 8.1058 116.8676 67.1742 31.5825 177.3982 23 D 4.2526 7.9842 116.3089 58.4786 40.6752 179.4319 24 V 3.3637 8.1353 118.0388 66.2478 31.6575 178.7420 25 F 4.6381 8.8391 119.5201 60.0758 38.5869 177.8768 26 S 4.2318 8.6734 113.4573 61.2647 63.0516 175.5791 27 D 4.5278 8.8694 122.0044 56.7229 41.1368 177.1928 28 R 4.4265 8.0274 114.1106 54.7818 32.5499 177.0072 29 G 4.2127 8.4327 103.5336 45.1437 0.0000 174.3795 30 F 4.0759 8.8421 121.4885 61.5124 39.4200 176.2175 31 H 4.1331 8.4424 118.2541 58.8594 29.7500 175.3271 32 E 4.2813 8.0121 116.6760 56.5836 30.0929 175.8578 33 T 4.2788 7.6754 116.1314 63.8327 70.4559 173.1356 34 S 4.5889 7.7002 119.5472 58.5629 63.2514 175.5036 *36 D 4.4902 8.6474 115.2088 54.2086 42.6624 177.3085 37 A 3.9505 8.1332 120.3173 55.0966 18.3237 179.6103 38 I 3.4423 7.6259 118.0804 64.4601 37.1949 178.2227 39 A 3.9386 8.0030 120.6718 55.2655 18.1114 179.1730 40 A 3.9172 7.9443 118.9723 55.4207 18.2207 179.9821 41 K 3.8612 7.7879 115.2771 59.4919 32.2800 178.8413 42 A 4.1597 8.0319 117.8173 51.8394 18.7258 176.7873 43 E 3.7720 7.9220 115.9336 57.3914 27.8796 174.1683 44 I 4.5433 7.3875 116.0678 58.5865 41.0621 174.6652 45 S 4.4669 8.2758 117.4488 57.5328 64.2113 174.5024 46 K 4.1677 8.7519 123.1113 59.4978 32.3324 177.8298 47 P 4.1933 0.0000 0.0000 63.2787 31.9041 177.8362 *49 L 4.3759 8.1330 121.0886 55.5100 42.6819 178.5134 50 Y 4.1833 7.9913 115.7216 60.8134 37.4664 178.1599 51 L 4.0185 7.9311 118.1887 56.6172 41.7267 177.7748 52 Y 4.0433 7.8079 115.2617 58.6425 39.2582 175.2940 53 Y 4.4419 8.7694 114.6923 59.7226 39.7982 176.3215 54 G 4.3765 9.2826 106.4396 45.8255 0.0000 173.8562 55 S 4.7825 7.5931 111.9805 55.7933 66.9737 174.9559 56 K 3.9105 8.7725 123.7958 59.9145 31.9250 178.5341 57 D 4.9296 8.2735 118.6492 56.1152 39.7798 177.9868 58 E 4.0664 8.2708 120.5097 59.1760 29.5682 178.5617 59 L 3.5890 8.1612 120.4487 57.9685 42.0762 178.7221 60 F 3.9141 8.5980 120.5134 61.1647 39.2440 177.0440 61 A 3.8172 8.8034 120.6702 54.7314 18.0648 179.4837 62 A 3.9542 8.0016 119.3572 55.5052 18.5004 179.1187 63 C 3.8599 8.1044 117.4578 62.8940 31.4756 176.0515 64 I 3.4074 7.3801 121.0402 64.2184 36.6936 178.1452 65 Q 3.9511 8.4698 119.4846 59.1169 28.6268 179.3889 66 R 3.8675 8.2308 119.4914 59.6736 30.2636 178.3981 67 E 4.2494 8.4640 118.6420 59.3168 29.4138 179.4599 68 G 3.7396 8.3110 105.9413 47.9141 0.0000 175.6687 69 L 4.0369 7.9126 121.0282 57.7671 41.6960 179.9263 70 R 4.6321 7.9251 118.8039 58.3527 29.7191 178.9767 71 F 3.0313 7.7688 119.9619 61.1778 39.7487 177.4240 72 V 3.5515 7.8502 112.0263 64.1342 31.4140 178.2496 73 E 3.8776 8.2330 118.2985 59.5609 29.1990 179.3343 74 A 3.9858 7.8304 120.3663 54.9153 18.3489 179.4258 75 L 3.8877 7.6445 116.9785 56.6955 41.5988 178.9882 76 A 3.9381 7.6429 121.5740 55.1142 18.2368 177.7358 77 P 4.2823 0.0000 0.0000 65.8612 31.0820 178.5733 78 A 4.1884 8.0234 118.8850 54.7274 18.3212 178.5130 79 G 3.7564 7.9861 104.1869 46.2842 0.0000 173.7316 80 D 4.5320 7.6798 120.2607 53.6331 41.4262 174.0586 81 P 4.5957 0.0000 0.0000 62.9855 32.6887 176.5183 82 G 3.9417 8.7981 108.4182 45.3212 0.0000 173.5947 83 L 4.1714 7.5211 120.1413 53.9894 42.4415 177.6826 84 S 4.2707 8.6028 118.4040 57.6427 64.9106 173.4821 85 P 4.2511 0.0000 0.0000 66.1241 31.1746 178.5545 86 R 4.2144 8.0408 116.7304 59.6896 29.8144 177.7823 87 E 4.1674 7.8371 117.2735 58.6567 29.6012 178.6328 88 Q 3.9728 8.3975 118.6795 58.7709 28.7477 178.0857 89 L 3.9345 8.1812 121.3948 58.4063 42.0880 178.7794 90 R 3.9408 8.5150 118.7948 59.8909 29.8893 178.6830 91 R 3.9475 8.5063 117.6330 58.8383 29.9304 178.9210 92 A 3.9632 8.2608 121.0905 54.9391 18.3211 179.6787 93 L 4.0648 8.2646 117.8655 58.1218 41.6605 179.6861 94 E 4.0583 8.5523 118.8621 59.0953 29.2965 179.6182 95 G 3.6831 8.3231 107.4005 47.2252 0.0000 175.0800 96 F 4.2036 8.2886 124.1952 61.3231 39.4300 177.4392 97 L 3.4939 8.2229 118.5864 57.3207 41.4636 179.7818 98 G 3.5761 8.4118 106.3139 47.6013 0.0000 175.6017 99 F 4.2570 8.5321 123.2784 61.1117 39.1978 177.4754 100 V 3.4892 7.5310 116.6912 65.8055 31.3128 177.9297 101 G 3.6088 7.5872 104.2924 47.4500 0.0000 175.2221 102 K 4.1586 7.6374 118.7047 57.1950 33.6447 176.6961 103 H 4.8453 7.8490 116.2016 53.7867 29.6901 174.9983 104 R 4.0927 7.8106 118.4071 59.5188 29.3340 178.5651 105 K 4.0068 8.0169 118.3019 58.9966 32.4128 178.6694 106 S 4.5571 7.5494 112.2295 60.1483 63.3688 176.6651 107 W 4.3923 8.2696 130.5310 57.8255 30.3401 177.6712 *109 V 4.0567 7.7745 118.5530 62.4876 32.9493 177.4681 110 L 3.7800 7.8426 119.4211 57.9816 41.6310 178.8601 111 Y 3.6743 7.4974 118.6991 60.1480 38.0705 176.7596 112 R 3.5952 7.5685 117.4449 59.2346 30.1673 178.8051 113 Q 3.8632 8.7901 116.5724 57.1737 28.5317 181.9027 114 A 3.8591 7.8203 121.5615 54.2659 18.6368 177.7093 *117 Q 3.9462 7.8210 116.5455 56.0557 29.6616 180.0374 118 Q 4.3488 8.0525 114.0802 56.8088 29.7890 178.6905 119 A 3.9082 8.1791 121.7386 56.0837 18.1269 179.0818 *120 F 4.6260 7.9725 114.0165 57.4787 38.0768 180.0304 121 V 4.6466 7.5040 125.0972 64.5302 31.1334 180.8831 122 G 4.1515 7.7447 102.1261 45.9200 0.0000 175.8733 123 S 4.0278 7.8443 117.7259 61.6108 62.5050 176.4611 124 V 3.8330 7.2645 121.1208 63.9122 31.5338 178.3730 125 Q 4.2438 7.6869 118.6274 59.0565 28.4827 178.6585 126 S 4.1511 7.6218 115.8551 61.5178 62.8015 176.9720 127 S 4.0757 8.0169 117.8577 61.6574 62.6448 176.4529 128 R 3.9124 9.1717 121.6684 59.8445 29.6404 178.2531 129 D 4.3738 8.6531 118.7730 57.1900 40.7533 178.6441 130 R 3.8506 8.1977 119.4091 59.3777 30.0922 178.5247 131 L 3.9614 8.3131 119.0800 57.8808 41.6382 179.4247 132 I 3.6613 8.1356 120.0784 64.4677 37.1666 177.9728 133 E 3.8372 8.3615 120.1211 59.3682 29.4781 178.8974 134 L 3.9807 8.2525 119.3207 58.0520 41.5341 179.7222 135 T 3.8722 7.9115 115.5832 66.3778 68.3635 176.7577 136 A 4.0228 8.1129 122.7854 55.4468 18.3163 179.3340 137 H 4.1582 8.0036 114.4648 59.0388 28.8194 178.0541 138 L 3.6840 7.9483 121.4038 58.6619 40.1527 179.2237 139 L 4.0454 8.0018 119.5765 57.4273 41.5667 178.8675 140 E 3.0869 8.0353 118.8132 59.1329 29.7580 178.5205 141 S 4.1049 8.4771 112.6893 59.3876 62.6074 174.9012 142 S 4.6695 8.2611 117.3709 57.2094 61.3790 177.1022 143 T 3.7774 6.7136 113.6833 64.2020 68.5397 173.8338 144 K 4.2240 8.3529 126.2462 55.2260 31.8362 175.2195 *150 Q 4.1562 7.8688 128.9135 55.9900 29.5039 175.0786 151 D 4.3573 7.8417 121.4446 56.8435 41.1046 178.4964 152 F 4.3212 7.7777 117.9402 60.5620 39.1404 177.1049 153 E 4.0487 8.3628 118.4289 59.2025 29.3015 178.6087 154 L 3.9261 7.6330 119.2442 58.1642 42.2228 178.8851 155 I 3.6667 8.0423 119.8993 64.2915 37.0251 178.1798 156 A 3.9823 8.3800 121.9726 55.2639 18.1477 179.8528 157 I 3.6460 8.1138 118.2691 64.4051 37.1372 178.4370 158 A 3.9746 7.9885 121.6303 55.2239 18.1494 179.4242 159 L 3.8450 8.3436 119.1912 58.2294 42.0035 179.4464 160 V 3.6932 8.0066 118.4634 65.7333 31.5910 178.2469 161 G 3.7983 8.3759 105.4770 47.1662 0.0000 175.5085 162 A 4.1596 8.4348 123.7425 54.8820 18.3991 179.9606 163 G 3.7473 8.4236 104.4194 47.9312 0.0000 175.8718 164 E 4.1689 8.6666 120.8754 59.4268 29.2876 179.3653 165 A 4.1337 8.0572 120.5348 54.8302 18.4018 179.9772 166 V 3.5493 8.0158 116.8614 65.8877 31.5724 177.7501 167 A 3.3912 8.0695 121.1153 55.3556 17.9406 178.9935 168 D 4.5998 7.8626 116.7214 58.1343 41.0231 179.8391 169 R 3.9736 7.5777 116.7633 58.8920 29.9830 179.1422 170 V 3.6890 8.3855 119.6417 65.5110 31.3118 177.7982 171 A 4.0823 8.3662 119.6927 54.9113 18.2209 178.8646 172 G 3.9260 7.6859 100.8939 44.2504 0.0000 174.5483 173 G 3.9246 8.0576 108.7951 46.1138 0.0000 174.8883 174 E 4.2151 8.1315 120.1583 57.4707 29.6655 177.0950 175 I 4.6137 7.2760 118.9605 58.4942 40.8222 174.6674 176 E 4.0795 8.5005 123.8558 55.7754 31.3425 178.1071 177 V 3.4783 8.3469 122.0273 66.4677 31.4167 178.2172 178 D 4.3161 8.0409 117.4348 57.3395 40.7580 178.3158 179 A 3.9563 8.0260 120.4131 55.2175 18.3755 179.4233 180 A 3.8387 8.2216 119.0370 55.3777 18.5435 179.8250 181 A 3.9867 8.6194 119.8328 55.0916 18.3537 179.5943 182 D 4.3166 8.4000 117.9818 57.5633 40.9475 178.7483 183 L 3.9785 7.8602 120.7070 58.2597 41.9771 179.0483 184 L 4.0269 7.9608 118.8660 57.5837 41.5015 179.3452 185 E 3.9723 8.3735 119.0786 59.3491 29.4530 179.3592 186 S 4.3852 8.0358 113.7294 60.8549 63.3460 175.9280 187 L 3.9565 8.1016 123.9002 58.1499 41.2067 179.0266 188 A 3.7505 7.5295 120.5075 54.6644 18.5629 179.2650 189 W 4.4566 8.0058 116.2177 58.2057 29.4255 178.2758 190 R 4.6212 8.5885 117.7931 56.9222 30.9309 178.4302 191 G 3.6734 8.0694 104.9998 47.7943 0.0000 174.7947 192 L 4.0926 7.4434 122.1233 57.7526 42.2673 178.0022 193 A 4.3934 8.3019 121.2727 53.1835 18.8461 179.3185 194 G 4.2101 7.7545 105.2513 46.0019 0.0000 173.9449 195 K 4.1957 7.6626 124.0951 56.1000 33.3107 176.1813 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 7 R 8.25 4.18 0.00 1.83 2.04 0.00 3.49 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 8 L 8.11 3.52 0.00 1.87 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 5.10 0.00 2.24 1.26 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 10 R 9.08 4.28 0.00 1.93 1.25 0.00 3.28 0.00 0.00 3.38 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 11 A 9.29 4.21 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 12 V 7.97 3.72 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 13 R 7.32 3.78 0.00 1.74 1.75 0.00 3.28 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 1.53 1.40 0.00 14 E 8.04 3.76 0.00 2.00 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 2.36 2.57 0.00 15 Q 8.64 4.17 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 16 Q 7.63 3.95 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.16 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 *18 L 7.90 4.21 0.00 1.74 1.75 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.17 4.35 0.00 2.88 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 20 A 7.83 4.03 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 21 A 7.83 3.69 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 22 V 8.11 3.66 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 0.96 0.00 0.00 1.05 0.00 0.00 23 D 7.98 4.25 0.00 2.99 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 24 V 8.14 3.36 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 25 F 8.84 4.64 0.00 3.44 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 26 S 8.67 4.23 0.00 4.05 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 D 8.87 4.53 0.00 2.75 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 28 R 8.03 4.43 0.00 1.88 1.91 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 29 G 8.43 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 0.00 0.00 0.00 0.00 30 F 8.84 4.08 0.00 2.34 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 31 H 8.44 4.13 0.00 3.24 3.35 0.00 5.77 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 32 E 8.01 4.28 0.00 1.96 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 0.00 2.25 2.36 0.00 33 T 7.68 4.28 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 0.54 0.00 0.00 34 S 7.70 4.59 0.00 3.89 3.39 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 *36 D 8.65 4.49 0.00 2.73 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 A 8.13 3.95 1.27 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 38 I 7.63 3.44 1.69 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.28 0.76 0.00 0.00 39 A 8.00 3.94 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 40 A 7.94 3.92 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 41 K 7.79 3.86 0.00 1.87 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 42 A 8.03 4.16 1.25 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 0.00 0.00 0.00 43 E 7.92 3.77 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 44 I 7.39 4.54 1.85 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 1.33 0.78 0.92 0.00 0.00 45 S 8.28 4.47 0.00 4.05 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 46 K 8.75 4.17 0.00 1.88 1.93 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.82 1.62 7.81 47 P 0.00 4.19 0.00 2.27 2.11 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 *49 L 8.13 4.38 0.00 1.88 1.67 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.99 4.18 0.00 3.36 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 51 L 7.93 4.02 0.00 1.56 1.53 0.92 1.12 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 52 Y 7.81 4.04 0.00 2.90 2.35 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 53 Y 8.77 4.44 0.00 2.97 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 54 G 9.28 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.59 4.78 0.00 4.19 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.77 3.91 0.00 1.82 1.85 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.37 7.81 57 D 8.27 4.93 0.00 3.11 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 58 E 8.27 4.07 0.00 2.26 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 0.00 2.71 2.60 0.00 59 L 8.16 3.59 0.00 1.95 1.91 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.60 3.91 0.00 3.40 3.28 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 61 A 8.80 3.82 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 62 A 8.00 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 3.86 0.00 3.13 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 64 I 7.38 3.41 1.66 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.36 0.72 0.00 0.00 65 Q 8.47 3.95 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 66 R 8.23 3.87 0.00 1.88 1.93 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 67 E 8.46 4.25 0.00 2.05 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 0.00 2.58 2.54 0.00 68 G 8.31 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 69 L 7.91 4.04 0.00 1.99 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.93 4.63 0.00 2.12 2.17 0.00 3.47 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 71 F 7.77 3.03 0.00 2.77 3.16 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 72 V 7.85 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 0.91 0.00 0.00 0.91 0.00 0.00 73 E 8.23 3.88 0.00 2.09 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 2.31 2.66 0.00 74 A 7.83 3.99 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 75 L 7.64 3.89 0.00 1.78 1.58 0.31 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.64 3.94 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.28 0.00 2.15 2.12 0.00 3.71 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 2.10 2.15 0.00 78 A 8.02 4.19 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 79 G 7.99 3.76 0.00 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0.00 2.10 2.20 0.00 3.18 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 105 K 8.02 4.01 0.00 1.79 1.97 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.53 7.81 106 S 7.55 4.56 0.00 4.37 4.33 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 0.00 107 W 8.27 4.39 0.00 3.57 3.33 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 *109 V 7.77 4.06 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 0.76 0.00 0.00 1.09 0.00 0.00 110 L 7.84 3.78 0.00 1.95 1.35 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 7.50 3.67 0.00 1.43 2.24 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 0.00 112 R 7.57 3.60 0.00 1.86 1.87 0.00 3.20 0.00 0.00 3.41 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 113 Q 8.79 3.86 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 114 A 7.82 3.86 1.26 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 0.00 0.00 0.00 *117 Q 7.82 3.95 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 118 Q 8.05 4.35 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.80 0.00 0.00 0.00 0.00 0.00 2.28 1.90 0.00 119 A 8.18 3.91 1.13 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 0.00 0.00 *120 F 7.97 4.63 0.00 2.21 2.24 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 0.00 121 V 7.50 4.65 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 0.86 0.00 0.00 0.93 0.00 0.00 122 G 7.74 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 0.00 0.00 0.00 0.00 123 S 7.84 4.03 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 132 I 8.14 3.66 1.99 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 1.40 0.76 0.93 0.00 0.00 133 E 8.36 3.84 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 134 L 8.25 3.98 0.00 1.84 1.68 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.91 3.87 4.38 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 0.00 0.00 0.00 1.14 0.00 0.00 136 A 8.11 4.02 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 0.00 137 H 8.00 4.16 0.00 3.38 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.95 3.68 0.00 2.01 1.95 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.00 4.05 0.00 1.80 1.90 0.88 0.52 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 0.00 140 E 8.04 3.09 0.00 1.66 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 2.12 1.81 0.00 141 S 8.48 4.10 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.26 4.67 0.00 4.27 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 0.00 143 T 6.71 3.78 4.41 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 1.28 0.00 0.00 144 K 8.35 4.22 0.00 1.84 1.83 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.40 7.81 *150 Q 7.87 4.16 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.50 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 151 D 7.84 4.36 0.00 2.24 2.47 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 0.00 152 F 7.78 4.32 0.00 3.21 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.36 4.05 0.00 2.12 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 2.39 2.45 0.00 154 L 7.63 3.93 0.00 1.92 1.75 0.91 1.00 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 0.00 155 I 8.04 3.67 1.90 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 1.67 0.60 0.86 0.00 0.00 156 A 8.38 3.98 1.43 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 0.00 0.00 0.00 157 I 8.11 3.65 2.00 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 1.46 0.66 0.92 0.00 0.00 158 A 7.99 3.97 1.36 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 0.00 0.00 159 L 8.34 3.84 0.00 1.84 1.78 0.77 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.01 3.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 161 G 8.38 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 0.00 0.00 0.00 162 A 8.43 4.16 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 0.00 163 G 8.42 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 0.00 164 E 8.67 4.17 0.00 2.37 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 0.00 2.64 2.68 0.00 165 A 8.06 4.13 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 0.00 166 V 8.02 3.55 2.15 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 0.84 0.00 0.00 0.98 0.00 0.00 167 A 8.07 3.39 0.55 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 0.00 168 D 7.86 4.60 0.00 3.12 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 0.00 169 R 7.58 3.97 0.00 1.97 1.95 0.00 3.31 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 170 V 8.39 3.69 1.92 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 1.10 0.00 0.00 0.79 0.00 0.00 171 A 8.37 4.08 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 172 G 7.69 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 0.00 173 G 8.06 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 0.00 174 E 8.13 4.22 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 175 I 7.28 4.61 1.81 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 1.27 1.34 0.88 0.00 0.00 176 E 8.50 4.08 0.00 1.98 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 2.37 2.33 0.00 177 V 8.35 3.48 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 1.01 0.00 0.00 0.85 0.00 0.00 178 D 8.04 4.32 0.00 2.71 2.69 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 0.00 179 A 8.03 3.96 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 0.00 180 A 8.22 3.84 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.62 3.99 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 0.00 182 D 8.40 4.32 0.00 2.97 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 0.00 183 L 7.86 3.98 0.00 1.77 1.80 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.96 4.03 0.00 1.90 1.69 0.92 0.97 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 0.00 185 E 8.37 3.97 0.00 2.26 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 0.00 2.45 2.59 0.00 186 S 8.04 4.39 0.00 4.12 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 0.00 187 L 8.10 3.96 0.00 1.85 1.92 0.91 0.77 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 0.00 188 A 7.53 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 W 8.01 4.46 0.00 3.45 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 0.00 190 R 8.59 4.62 0.00 1.98 1.98 0.00 3.39 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 191 G 8.07 3.67 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 0.00 0.00 0.00 192 L 7.44 4.09 0.00 1.94 1.86 1.29 1.32 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 0.00 193 A 8.30 4.39 1.43 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 0.00 0.00 0.00 194 G 7.75 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 0.00 0.00 0.00 0.00 195 K 7.66 4.20 0.00 1.68 1.63 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.