NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1419 8.2649 123.5821 51.9058 19.6201 179.4498 *2 K 4.0341 8.8202 122.7084 57.0768 33.6112 174.4928 *4 S 4.2912 8.0798 111.9983 58.4525 64.0081 174.3164 5 E 4.0028 8.9904 121.5361 59.7720 29.4670 178.5549 6 L 3.9429 7.9877 118.5615 58.0936 42.6122 177.8099 7 E 4.0634 8.2332 118.1176 59.4793 29.6314 180.2144 8 K 3.9767 8.2373 116.5247 56.7475 31.3891 178.6244 *10 L 4.1863 7.9994 122.5215 54.8766 43.3929 177.4469 11 K 4.2136 7.9993 114.6655 56.3505 32.2081 177.3291 12 G 4.0585 8.3909 107.2019 44.6469 0.0000 173.1666 13 E 4.6398 7.7727 118.4361 54.3232 31.5891 175.6806 14 H 4.8358 8.4477 117.6741 56.2821 29.3763 175.1061 15 F 5.0505 7.8329 115.7964 55.6374 40.7313 173.7196 16 D 4.5735 9.9207 123.0130 52.6619 40.4558 177.3921 17 G 3.9008 8.6542 116.8158 48.5164 0.0000 172.8786 18 A 4.3284 8.2844 120.4982 52.2729 18.7607 177.9922 19 S 4.1925 8.1097 111.5518 58.9091 64.3269 175.1646 20 A 4.0455 8.6351 129.0951 54.9299 18.2474 179.8986 21 E 4.0312 8.0252 116.6755 59.2696 29.8367 179.3058 22 I 3.6248 7.6645 120.2210 64.3003 37.2749 177.6313 23 E 3.9895 8.6237 120.1952 59.5060 29.3711 178.8414 24 A 4.0088 8.0458 120.5313 55.0174 18.4462 179.3685 25 L 4.0646 7.9811 118.4379 58.0130 42.1813 179.1212 26 R 4.2138 8.3620 120.5983 58.7509 29.9822 178.7413 27 S 4.0871 8.4139 115.2603 61.5708 62.8698 175.9832 28 Q 3.9381 8.1065 122.0039 59.4555 28.6786 178.6035 29 A 4.0536 8.0587 121.4842 55.1790 18.5017 179.8367 30 G 3.5195 8.1440 104.1058 47.8332 0.0000 175.9032 31 R 3.8832 8.0782 121.3267 59.2641 30.1987 178.7044 32 L 3.9998 8.0750 118.8239 57.4986 41.4868 179.6132 33 K 3.9275 8.4332 119.0506 59.4347 31.7970 179.0588 34 L 3.9353 7.5380 118.8019 58.1132 42.1306 178.6478 35 E 4.1051 8.2143 118.5617 59.4238 29.5208 179.3147 36 I 3.6997 8.2269 120.1257 64.5544 37.0210 178.1923 37 N 4.5627 8.7811 115.5306 55.0569 38.4661 176.2924 38 Q 4.5216 7.3551 117.5823 54.5059 30.1013 175.5837 39 S 4.2715 7.3274 115.7044 58.2079 62.8842 173.7910 40 L 4.2778 8.4652 126.2086 55.2595 42.4090 176.3210 41 D 4.7331 7.6611 118.8058 52.3445 42.3210 175.6467 42 E 3.8942 8.8876 128.5986 59.7202 29.6568 178.4465 43 A 4.1574 8.3243 120.2571 54.5055 18.3804 179.1798 44 E 3.9834 8.1361 117.8091 59.1935 29.8174 178.6807 45 R 3.9016 8.2825 118.4845 59.5573 30.2933 178.4672 46 Y 3.9546 7.9946 118.5322 60.5137 38.4583 177.6871 47 A 3.9775 8.0644 121.4937 55.0548 18.4813 179.6405 48 L 3.8708 8.2088 117.8559 58.0993 41.6657 179.7259 49 Q 3.6017 8.6931 118.9415 58.8489 28.3461 179.0233 50 R 3.9773 7.2692 117.2190 58.3382 30.1836 178.2584 51 E 4.0931 7.4523 117.7345 58.4805 29.5320 178.6035 52 L 3.9441 7.2314 119.9182 57.0957 42.5261 177.2754 53 F 5.0540 7.1829 116.3084 56.7641 39.7903 176.1921 54 G 3.7791 8.9712 110.3118 48.9802 0.0000 173.8161 55 H 4.7986 7.8643 117.9956 55.0154 33.4691 172.2724 56 L 4.6331 8.2798 127.0911 53.1574 44.5284 176.2842 57 G 4.1382 8.3477 114.3105 44.5029 0.0000 171.8773 58 H 4.3287 9.8209 120.3500 57.5889 29.9754 175.3596 59 K 3.8344 8.3558 123.9905 57.3830 29.5117 175.0493 60 S 4.9937 7.6638 113.9170 57.4756 64.5385 173.3367 61 C 4.9570 8.9776 123.0944 57.5630 34.6825 172.6720 62 V 4.5278 8.4040 125.2734 61.0883 33.2498 174.5969 63 Q 4.4760 8.5339 128.3706 54.4646 29.2460 174.8035 64 P 4.5820 0.0000 0.0000 61.9900 31.9425 173.9946 65 P 4.9379 0.0000 0.0000 62.5681 33.1614 174.3895 66 F 5.0047 9.3319 124.2701 56.7255 42.0276 173.8179 67 H 4.9889 7.9958 122.5444 54.0495 31.6433 172.6176 68 C 4.5530 8.3404 116.1228 57.8182 31.9270 173.6835 69 E 4.0050 8.9475 118.1437 57.8094 29.8947 178.3490 70 F 4.7181 8.7398 115.2333 56.5289 41.7205 176.4147 71 G 4.5364 9.7757 113.8885 46.0338 0.0000 176.1012 72 K 4.1713 7.9437 119.3145 58.9236 32.4273 178.5207 73 T 4.2447 8.0378 107.1766 62.3386 69.5301 173.4629 74 I 4.8806 7.8058 125.0172 60.2327 39.1332 174.9532 75 R 5.0995 8.8514 125.1876 54.4929 34.2992 174.3676 76 I 4.7812 8.4435 123.3417 59.3573 41.0456 176.2221 77 G 4.2207 8.8311 116.9508 46.0322 0.0000 171.8464 78 D 5.0742 8.8450 121.5576 53.1890 44.2419 176.4461 79 H 4.4028 8.7054 116.2343 57.5083 27.2087 174.2798 80 T 5.0119 8.7096 115.8988 61.7357 71.4006 173.5909 81 F 5.3420 9.2189 128.2542 56.5099 42.2285 173.6588 82 I 4.3751 8.0320 127.2403 60.4246 39.6743 173.2221 83 N 3.9027 8.8469 127.8835 54.3440 38.7602 175.5815 *85 N 4.8272 9.1565 113.4264 53.3102 41.5149 172.9665 86 V 4.3582 7.9622 116.5968 62.3341 33.4204 174.7795 87 V 5.0438 8.2616 125.9189 59.9183 35.6807 173.8538 *89 L 4.5613 8.2590 120.2588 54.2631 42.8031 177.5793 90 D 5.2767 8.4415 126.9828 52.5768 39.9875 178.7013 91 G 3.5258 8.7813 110.4722 48.7378 0.0000 173.8344 92 A 4.8583 7.0892 120.1144 48.9313 22.2995 174.6107 93 P 4.5645 0.0000 0.0000 63.1608 33.1148 175.9190 94 I 4.7232 8.7531 122.9544 60.1647 40.5953 174.4051 95 T 4.9989 8.7305 124.9652 61.8252 70.5904 173.9123 96 I 4.8216 8.7621 127.8944 59.4918 39.8937 175.8281 97 G 4.1687 8.8995 117.9741 46.6199 0.0000 172.2617 98 D 4.9354 9.5463 122.0262 54.0117 43.2269 176.5126 99 H 4.7381 8.7346 115.9033 56.0610 27.1174 174.5184 100 V 4.8054 7.9413 118.2607 61.5245 33.3337 174.4512 101 L 5.3864 9.4012 127.2474 53.0960 44.7889 175.3851 102 I 4.9672 8.6635 124.2839 59.4301 40.4341 176.0377 103 G 4.3908 8.9118 115.0058 44.9465 0.0000 171.2517 104 P 4.4971 0.0000 0.0000 62.9113 32.3837 177.3033 105 S 4.3917 8.6969 115.4795 58.9496 60.8964 172.0687 106 T 4.3832 7.6890 116.6118 63.6577 69.7296 173.3653 107 Q 5.1810 9.4308 124.8373 54.1107 31.7495 174.5792 108 F 4.7272 9.4583 122.9780 56.1377 40.6704 175.0230 109 Y 5.0294 8.6886 124.1804 56.6149 38.5671 176.7891 110 T 4.2700 9.3166 115.6839 63.0892 70.1477 174.2122 111 A 5.1254 7.4603 125.0574 51.1483 20.6177 176.2615 112 S 4.5986 8.7508 114.4141 57.5054 66.8107 172.0004 113 H 5.4166 8.4399 118.7359 53.4556 32.5182 173.5824 114 S 4.3746 8.6309 113.7925 58.2139 62.7733 174.1970 115 L 4.1024 8.3479 124.6622 56.7817 41.9701 176.8063 116 D 4.6173 8.2773 120.0845 53.2556 41.3661 176.3983 117 Y 4.2148 8.8128 126.6076 60.2648 37.6719 178.4528 118 R 3.5344 7.2248 119.0014 58.1730 29.9932 177.9949 119 R 4.4916 7.4801 116.1010 55.7876 30.6807 176.8864 120 R 4.6558 7.7477 116.4085 56.0312 31.6083 177.2697 121 Q 4.2377 8.1750 116.0741 57.4263 28.7780 176.3094 122 A 4.3862 8.4127 120.8766 50.9740 19.1515 177.0418 123 W 4.2894 8.3772 115.4257 58.5612 27.3142 174.5000 124 E 3.8518 7.4621 116.7389 57.7133 29.2980 176.9541 125 T 5.0204 8.1463 118.3456 61.9468 72.9841 173.1596 126 I 4.7224 8.8288 125.6955 59.8215 40.3429 174.1265 127 C 5.8430 8.7398 124.1558 57.5301 30.4263 172.9319 128 K 4.8553 8.5116 122.0080 53.6977 35.5298 174.4821 129 P 4.7657 0.0000 0.0000 63.0000 33.1866 174.8661 130 I 4.9826 8.4255 120.4808 59.5650 40.8859 174.8145 131 V 4.9253 8.9438 125.5329 61.1853 34.6607 174.0582 132 I 4.7647 9.0679 128.9290 59.5668 39.2716 175.5117 133 E 4.6268 8.8088 127.0758 55.3435 31.3451 175.9810 134 D 4.7262 8.7337 120.0465 55.9270 42.3500 177.2068 135 D 4.7801 8.8955 118.7282 54.7484 39.3390 173.4232 136 V 4.4053 7.2471 119.2073 62.1057 33.2093 174.4730 137 W 5.4534 8.9934 135.0000 55.8415 33.1963 174.0472 138 I 4.4999 10.0876 128.9425 59.2733 39.0810 176.1877 139 G 3.9074 8.5301 115.4513 45.6444 0.0000 173.0306 140 G 3.9188 8.6310 106.4696 45.9872 0.0000 173.3215 141 N 4.6769 8.5844 116.8505 53.7274 38.1223 173.6932 142 V 4.3841 7.4952 115.6625 61.4725 33.5931 174.4814 143 V 4.3165 8.2241 126.9865 61.2881 33.4289 174.2421 144 I 4.3702 7.8957 129.2647 59.7256 39.0611 175.7070 145 N 5.1982 8.6757 125.4329 51.6114 40.7714 174.7432 146 Q 4.1770 8.5686 117.9094 57.6940 29.0569 176.9876 147 G 3.9102 8.4334 107.6988 45.7002 0.0000 173.7611 148 V 4.1751 7.1881 120.0574 62.5611 33.3440 174.8978 149 T 5.0011 9.1722 123.9036 61.8737 71.4552 173.2680 150 I 4.4038 8.8282 129.2287 60.0516 38.2275 176.0578 151 G 4.0215 9.1148 115.7238 45.5142 0.0000 172.5537 152 A 4.2347 9.1068 125.9336 53.9138 18.8189 179.1089 153 R 4.2673 8.5378 118.5282 57.0438 28.8688 176.8156 154 S 4.8183 7.5733 114.8171 57.7474 65.0824 173.1844 155 V 4.8340 8.4046 121.3063 61.1142 34.5849 174.2893 156 V 4.6851 8.2093 127.3217 60.6971 33.5601 174.9163 157 A 4.2348 8.8966 130.1696 51.2632 19.5846 176.6875 158 A 4.0024 8.3512 122.5611 53.8150 18.8314 177.6259 159 N 4.7030 8.6949 117.3686 53.6083 38.6865 174.3501 160 S 4.4999 7.5030 111.7465 58.6589 64.1969 172.8529 161 V 4.7362 8.6664 123.4103 61.0872 34.3244 174.2018 162 V 4.4726 8.6270 128.7561 61.6091 32.5463 175.7283 163 N 4.8793 8.9656 124.3848 53.2156 40.2717 173.7219 164 Q 4.6449 7.5714 114.4068 54.1770 32.1234 173.9393 165 D 4.6625 8.7283 118.8142 55.1723 41.7879 176.6082 166 V 4.4461 8.3473 121.3018 60.2789 33.5447 173.5456 167 P 4.7415 0.0000 0.0000 61.9916 32.0814 174.3659 168 P 4.5377 0.0000 0.0000 62.5945 32.5116 175.2603 169 D 4.4446 8.5735 118.0755 55.4131 39.2243 173.9166 170 T 5.0434 7.7618 112.7121 62.0162 73.9732 173.8500 171 L 4.9394 9.4230 128.6038 53.8227 43.7328 175.6603 172 V 4.8472 8.2986 119.2951 59.9608 35.6740 174.7307 173 G 4.0814 8.7925 107.6619 46.2796 0.0000 173.0483 174 G 4.0753 9.1715 106.1823 44.6986 0.0000 172.6513 175 T 4.7897 7.8024 114.0268 60.7502 70.8507 172.4850 176 P 4.6985 0.0000 0.0000 62.0082 32.2906 176.3232 177 A 4.4608 8.6641 125.0212 52.7108 19.3235 176.5150 178 R 4.7275 8.9024 115.7866 53.8648 33.7817 174.5047 179 I 4.0475 8.3163 120.2349 61.8195 37.0457 175.7668 180 L 4.5535 8.9092 126.7060 56.1175 43.5959 177.1553 181 R 4.5836 7.4224 116.6575 54.9134 33.4486 174.0957 182 S 4.5221 8.7961 121.0026 58.4446 63.1099 173.4457 183 L 4.6898 8.6337 124.9883 54.1185 42.7781 176.6341 184 K 4.0882 7.8985 126.2445 56.7339 32.0697 176.3262 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 0 A 8.26 4.14 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 *2 K 8.82 4.03 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 *4 S 8.08 4.29 0.00 4.23 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 5 E 8.99 4.00 0.00 2.03 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 2.36 2.32 0.00 6 L 7.99 3.94 0.00 1.68 1.63 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.23 4.06 0.00 2.21 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 2.30 2.41 0.00 8 K 8.24 3.98 0.00 2.00 2.03 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.57 7.81 *10 L 8.00 4.19 0.00 1.77 1.71 0.82 0.61 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 11 K 8.00 4.21 0.00 1.91 1.81 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.34 7.81 12 G 8.39 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 0.00 0.00 0.00 13 E 7.77 4.64 0.00 2.14 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 2.28 2.27 0.00 14 H 8.45 4.84 0.00 3.17 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.83 5.05 0.00 3.19 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 16 D 9.92 4.57 0.00 2.67 2.66 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 17 G 8.65 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.28 4.33 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 19 S 8.11 4.19 0.00 4.00 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 20 A 8.64 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 21 E 8.03 4.03 0.00 2.15 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 2.29 2.35 0.00 22 I 7.66 3.62 2.20 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 1.41 0.62 1.12 0.00 0.00 23 E 8.62 3.99 0.00 2.27 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 2.36 2.41 0.00 24 A 8.05 4.01 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 25 L 7.98 4.06 0.00 1.99 1.99 0.96 0.98 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 26 R 8.36 4.21 0.00 2.22 2.12 0.00 3.23 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.31 0.00 27 S 8.41 4.09 0.00 4.08 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 28 Q 8.11 3.94 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 29 A 8.06 4.05 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 30 G 8.14 3.52 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 0.00 0.00 0.00 31 R 8.08 3.88 0.00 1.89 2.08 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 32 L 8.07 4.00 0.00 1.65 1.60 0.87 0.79 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 33 K 8.43 3.93 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.65 7.81 34 L 7.54 3.94 0.00 1.64 1.89 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.21 4.11 0.00 2.15 1.96 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 2.32 2.34 0.00 36 I 8.23 3.70 1.88 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 1.43 0.88 0.89 0.00 0.00 37 N 8.78 4.56 0.00 2.74 2.89 0.00 0.00 6.97 8.31 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 38 Q 7.36 4.52 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 39 S 7.33 4.27 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.47 4.28 0.00 1.68 1.70 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.66 4.73 0.00 2.66 2.79 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 42 E 8.89 3.89 0.00 2.08 1.96 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 2.39 2.44 0.00 43 A 8.32 4.16 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 44 E 8.14 3.98 0.00 2.17 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 2.37 2.40 0.00 45 R 8.28 3.90 0.00 2.07 1.99 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 46 Y 7.99 3.95 0.00 3.11 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 47 A 8.06 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 48 L 8.21 3.87 0.00 1.84 1.64 0.93 0.80 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 49 Q 8.69 3.60 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 50 R 7.27 3.98 0.00 1.74 1.86 0.00 2.39 0.00 0.00 2.87 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.00 51 E 7.45 4.09 0.00 1.98 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 2.30 2.43 0.00 52 L 7.23 3.94 0.00 1.33 1.12 0.81 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.18 5.05 0.00 2.98 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 54 G 8.97 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 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0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 64 P 0.00 4.58 0.00 2.20 2.08 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 65 P 0.00 4.94 0.00 2.08 2.22 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 66 F 9.33 5.00 0.00 2.96 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 67 H 8.00 4.99 0.00 2.91 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.34 4.55 0.00 3.13 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 69 E 8.95 4.01 0.00 1.83 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 1.96 2.09 0.00 70 F 8.74 4.72 0.00 3.02 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 71 G 9.78 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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5.28 0.00 2.92 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 91 G 8.78 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.09 4.86 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 93 P 0.00 4.56 0.00 2.10 2.00 0.00 3.54 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 2.11 2.12 0.00 94 I 8.75 4.72 1.86 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 1.34 1.15 0.78 0.00 0.00 95 T 8.73 5.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 96 I 8.76 4.82 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.92 0.00 0.00 97 G 8.90 4.17 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 0.00 98 D 9.55 4.94 0.00 2.77 2.57 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 107 Q 9.43 5.18 0.00 1.22 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 108 F 9.46 4.73 0.00 2.75 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 0.00 109 Y 8.69 5.03 0.00 2.89 2.79 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 0.00 110 T 9.32 4.27 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 1.43 0.00 0.00 111 A 7.46 5.13 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 0.00 112 S 8.75 4.60 0.00 4.08 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 0.00 113 H 8.44 5.42 0.00 3.05 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.63 4.37 0.00 3.87 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 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3.38 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.46 3.85 0.00 1.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 125 T 8.15 5.02 4.31 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 1.37 0.00 0.00 126 I 8.83 4.72 1.93 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.95 0.00 0.00 127 C 8.74 5.84 0.00 2.84 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 0.00 128 K 8.51 4.86 0.00 1.61 1.68 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 129 P 0.00 4.77 0.00 2.14 2.20 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 130 I 8.43 4.98 2.05 0.00 0.00 1.00 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 1.04 1.11 0.00 0.00 131 V 8.94 4.93 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 1.10 0.00 0.00 0.96 0.00 0.00 132 I 9.07 4.76 1.99 0.00 0.00 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 1.31 0.84 1.01 0.00 0.00 133 E 8.81 4.63 0.00 2.17 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 2.35 2.31 0.00 134 D 8.73 4.73 0.00 2.71 2.68 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 0.00 135 D 8.90 4.78 0.00 2.92 2.79 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 0.00 136 V 7.25 4.41 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 0.98 0.00 0.00 1.13 0.00 0.00 137 W 8.99 5.45 0.00 3.43 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 0.00 138 I 10.09 4.50 2.06 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 1.12 0.90 0.84 0.00 0.00 139 G 8.53 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 0.00 0.00 0.00 140 G 8.63 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 0.00 141 N 8.58 4.68 0.00 3.01 2.85 0.00 0.00 6.70 7.87 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 0.00 142 V 7.50 4.38 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 0.66 0.00 0.00 0.93 0.00 0.00 143 V 8.22 4.32 1.96 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 0.78 0.00 0.00 0.84 0.00 0.00 144 I 7.90 4.37 1.16 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.05 0.71 0.00 0.00 145 N 8.68 5.20 0.00 2.83 2.79 0.00 0.00 6.32 7.30 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 0.00 146 Q 8.57 4.18 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 147 G 8.43 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 0.00 0.00 0.00 148 V 7.19 4.18 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 1.04 0.00 0.00 1.06 0.00 0.00 149 T 9.17 5.00 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 1.23 0.00 0.00 150 I 8.83 4.40 1.89 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 1.15 1.25 0.90 0.00 0.00 151 G 9.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 9.11 4.23 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 0.00 153 R 8.54 4.27 0.00 2.12 2.20 0.00 3.13 0.00 0.00 3.09 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 154 S 7.57 4.82 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.40 4.83 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 0.40 0.00 0.00 1.14 0.00 0.00 156 V 8.21 4.69 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 0.86 0.00 0.00 0.84 0.00 0.00 157 A 8.90 4.23 1.11 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 0.00 158 A 8.35 4.00 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 0.00 159 N 8.69 4.70 0.00 2.83 2.89 0.00 0.00 7.10 7.21 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 0.00 160 S 7.50 4.50 0.00 3.97 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 0.00 161 V 8.67 4.74 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 0.95 0.00 0.00 0.90 0.00 0.00 162 V 8.63 4.47 1.96 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 0.88 0.00 0.00 0.84 0.00 0.00 163 N 8.97 4.88 0.00 2.71 2.81 0.00 0.00 6.93 7.69 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 0.00 164 Q 7.57 4.64 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 165 D 8.73 4.66 0.00 2.58 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 0.00 166 V 8.35 4.45 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 1.06 0.00 0.00 0.89 0.00 0.00 167 P 0.00 4.74 0.00 2.11 2.03 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 168 P 0.00 4.54 0.00 1.96 2.13 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 169 D 8.57 4.44 0.00 2.84 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 0.00 170 T 7.76 5.04 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 1.24 0.00 0.00 171 L 9.42 4.94 0.00 1.70 1.68 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.30 4.85 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 0.61 0.00 0.00 0.86 0.00 0.00 173 G 8.79 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 0.00 0.00 0.00 174 G 9.17 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 0.00 0.00 0.00 175 T 7.80 4.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 176 P 0.00 4.70 0.00 2.05 2.03 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 177 A 8.66 4.46 1.18 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 0.00 178 R 8.90 4.73 0.00 1.79 1.99 0.00 2.76 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 1.60 1.55 0.00 179 I 8.32 4.05 1.86 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 0.52 0.92 0.00 0.00 180 L 8.91 4.55 0.00 1.56 1.66 0.88 0.82 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 0.00 181 R 7.42 4.58 0.00 1.84 1.69 0.00 3.18 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 182 S 8.80 4.52 0.00 3.92 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 0.00 183 L 8.63 4.69 0.00 1.51 1.66 0.99 0.88 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 0.00 184 K 7.90 4.09 0.00 1.75 1.70 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.