NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9109 8.2127 109.7149 45.0231 0.0000 175.0746 4 Q 4.0278 7.7116 119.2507 56.5667 29.7236 175.8177 5 L 3.9340 7.5806 120.4775 57.8956 42.1629 178.6059 6 T 3.9689 7.9183 109.3532 64.6550 67.9998 176.0796 7 K 3.8458 7.4799 122.2089 59.4150 32.1306 178.2045 8 Q 3.9271 8.1203 119.6526 59.8343 28.8425 178.1048 9 H 4.2191 8.3591 117.0663 58.9036 28.7171 178.1268 10 V 3.5403 7.8414 120.1126 65.8381 31.0866 178.3571 11 R 3.7798 7.7079 116.8209 58.9775 29.3098 178.6178 12 A 4.3416 7.6477 120.5933 55.3232 18.3837 179.4688 13 L 3.9882 7.5099 116.8841 57.8830 41.6038 179.5704 14 A 4.0736 7.9243 120.4448 55.4017 18.1551 179.8531 15 I 3.6573 8.7428 119.0138 64.8212 36.9989 178.3007 16 S 4.0634 8.9979 112.5960 61.6429 62.2485 175.7834 17 A 4.2184 8.3081 122.7337 55.4791 18.3283 179.2031 18 L 4.1538 8.0961 115.7454 55.5101 43.0846 176.9590 19 A 3.6337 7.3883 119.3747 52.3366 15.7029 173.9066 20 P 3.9075 0.0000 0.0000 61.1340 32.3461 176.3144 21 K 4.6064 7.9948 121.5936 53.3638 35.7207 173.7672 22 P 4.1272 0.0000 0.0000 64.5304 31.4705 176.0982 23 H 4.1401 8.2749 117.4636 57.0999 26.8766 174.4769 24 E 5.1103 8.0323 117.1687 55.0630 32.9138 174.9682 25 T 5.3519 9.1610 118.7943 60.9672 71.6563 172.7945 26 L 5.1965 8.7260 128.7450 52.2483 43.9697 175.1031 27 W 5.1529 8.5662 126.6862 56.4070 30.5629 174.6648 28 D 5.2465 9.4364 125.9039 52.8383 42.6893 174.3222 29 I 4.6194 9.6156 127.9627 60.3252 39.6877 174.3464 30 G 4.0422 9.4457 112.4672 43.5991 0.0000 173.8117 31 G 3.8486 8.8185 114.0340 46.9415 0.0000 173.1142 32 G 3.8869 8.9045 115.8661 45.7674 0.0000 173.4142 33 S 4.4621 8.0642 112.1491 59.1765 63.1485 172.1043 34 G 3.5533 9.2998 121.6336 46.3737 0.0000 175.7391 35 S 4.0819 7.9661 116.6281 61.6333 62.7913 176.9615 36 I 3.6811 7.6608 121.6574 63.9098 36.9568 177.8784 37 A 3.9231 8.1922 121.2132 55.5479 18.1258 179.5353 38 I 3.7374 8.5138 118.9594 64.5215 37.1605 178.3027 39 E 3.9766 8.0874 120.1868 58.4708 29.3156 178.0398 40 W 4.2511 8.5604 128.1035 60.7785 30.7259 177.6287 41 L 4.2650 8.5475 117.2603 58.2066 41.4527 179.1901 42 R 3.9986 8.3502 118.3931 59.5435 29.8668 179.0021 43 S 4.2764 8.5948 114.3213 59.9955 63.3228 174.4876 44 T 4.5239 7.1252 118.5771 61.4547 72.3908 171.7847 45 P 4.3588 0.0000 0.0000 63.1974 33.1745 175.6048 46 Q 3.4928 8.7409 118.0070 56.7022 24.9990 172.2282 47 T 5.2248 7.3173 106.5589 60.3401 72.5811 174.9458 48 T 5.0927 9.1891 111.6973 59.9689 72.3240 172.6028 49 A 4.9366 9.0671 125.2629 50.1376 22.6153 175.0119 50 V 4.6474 9.3303 121.2194 61.1957 35.0015 174.1760 51 C 5.2313 8.2028 123.6089 56.9534 31.8239 173.1949 52 F 5.1707 8.2110 119.9503 54.9140 40.4986 174.3828 53 E 4.5350 8.9280 125.0752 54.5102 32.2237 176.0493 54 I 3.6495 8.6585 128.3163 63.8873 38.6933 176.0260 55 S 4.1319 8.0775 114.8155 58.0532 62.5439 174.4268 56 E 4.0050 8.9432 128.7883 58.5561 29.3359 176.9140 57 E 4.6098 7.9768 115.6003 56.4035 31.2446 177.7794 58 R 3.9193 7.8357 118.1825 58.5743 29.7440 178.8645 59 R 4.0647 7.9205 117.7249 58.7907 29.8231 177.5493 60 E 4.4605 7.2850 115.8877 56.4785 29.1754 177.0682 61 R 4.5254 7.6686 119.8960 56.3543 32.8757 177.7344 62 I 3.7201 7.6132 117.8674 64.3754 37.0925 178.0821 63 L 3.9859 7.5894 120.6267 57.8391 41.6913 178.5181 64 S 4.0686 8.0569 111.9670 61.5468 62.5309 175.4082 65 N 4.4046 7.9041 118.2751 56.5217 38.6559 176.2447 66 A 3.9408 7.8320 122.0214 55.6924 18.4052 179.4386 67 I 4.1645 7.6299 118.9989 64.3480 36.9847 178.0748 68 N 4.3084 7.7522 115.6103 56.3708 38.6146 177.1590 69 L 4.2363 7.6896 116.3205 55.2402 41.6856 177.9638 70 G 3.9388 7.7230 107.1656 46.1102 0.0000 174.4171 71 V 4.3886 7.3745 112.0657 60.9925 32.1581 178.4419 72 S 4.1900 8.0263 117.1564 60.8590 63.2788 175.6787 73 D 4.3742 8.1407 120.0654 56.6920 41.3066 176.4537 74 R 4.7928 7.8582 115.5034 55.3748 32.4818 174.6243 75 I 5.4205 8.2204 118.0121 58.0734 40.9973 174.2994 76 A 4.7245 8.5014 129.1392 50.0749 22.4159 175.2439 77 V 3.9608 8.2979 121.0878 61.4387 32.8827 175.1285 78 Q 4.3156 8.3138 128.0608 54.8511 30.9824 174.9263 79 Q 5.5171 7.5929 117.6101 54.3187 31.3716 175.2185 80 G 3.7277 8.3986 107.0498 45.8953 0.0000 173.3037 81 A 3.3253 7.9556 125.9480 50.7529 19.3235 175.5868 82 P 2.9700 0.0000 0.0000 61.8662 31.5702 178.3102 83 R 3.8184 7.4641 116.0599 58.0421 29.3319 177.6103 84 A 4.3151 6.9246 119.1871 52.2171 19.7114 178.7303 85 F 4.2833 6.9527 115.3425 60.0635 39.0575 176.9106 86 D 4.5363 7.4496 118.5554 55.8326 41.0380 177.5597 87 D 4.3530 7.6448 118.6328 57.1357 41.0351 177.2462 88 V 3.8957 7.2194 122.9867 62.1207 31.1693 174.1822 89 P 4.4740 0.0000 0.0000 65.6443 31.5523 177.4114 90 D 4.5563 7.9136 116.5182 53.6826 41.4491 175.9106 91 N 4.1702 8.4851 121.1509 52.2050 38.9603 173.6319 92 P 4.1183 0.0000 0.0000 62.8424 32.0713 175.6416 93 D 4.5697 8.3454 118.3762 55.9209 42.7639 176.8032 94 V 4.7329 8.0551 116.9270 61.1556 35.6097 174.3142 95 I 5.1548 8.6048 126.7029 59.4180 41.0076 174.0487 96 F 5.2732 9.7703 128.6776 56.4215 42.3107 173.7799 97 I 5.0272 7.0316 126.1072 58.0568 39.5653 176.6296 98 G 4.3645 8.2780 118.8559 45.2517 0.0000 173.6607 *101 L 4.4441 7.7594 115.6163 55.3640 42.1658 177.2140 102 T 4.5517 7.7931 111.3807 63.0130 70.1931 173.6411 103 A 3.9300 8.0521 124.8671 51.6547 18.7666 175.4420 104 P 4.2869 0.0000 0.0000 64.8566 31.4425 177.0289 105 G 4.0289 9.0430 112.0592 45.7741 0.0000 174.5354 106 V 3.7536 7.6788 119.9831 65.9806 31.4906 177.2906 107 F 4.2218 8.4297 119.9868 61.1659 39.2305 176.5101 108 A 4.0681 8.4102 119.3583 55.3562 18.0840 178.9832 109 A 4.0180 7.8550 117.4307 55.5775 17.9710 179.3958 110 A 3.4203 8.6233 118.7743 54.6419 18.1980 179.3396 111 W 4.1234 8.2819 126.8167 59.4161 30.5664 177.8093 112 K 4.2052 8.0486 116.0609 57.3739 31.4316 177.3124 113 R 4.3041 7.1269 117.0858 55.4531 32.1779 175.6465 114 L 3.7902 6.5999 121.3806 53.3875 42.6978 174.5125 115 P 4.3175 0.0000 0.0000 61.3413 32.6178 175.2552 116 V 3.2900 7.8587 118.2637 64.7476 31.5046 176.4428 117 G 3.8550 9.1297 116.3003 44.7780 0.0000 173.2726 118 G 3.8157 7.8477 107.6282 46.1226 0.0000 172.7878 119 R 5.2507 8.3530 117.8598 54.1651 34.2450 174.7715 120 L 5.2826 8.5538 123.3589 53.3221 46.3599 175.1530 121 V 4.8193 8.9025 124.4743 61.2875 34.3228 173.9594 122 A 4.9882 9.2883 129.9243 50.1273 22.3403 174.4585 123 N 5.6871 8.7674 116.9902 51.5509 42.2464 173.4834 124 A 5.0376 9.8742 125.9701 50.3086 21.3495 177.6236 125 V 4.2419 8.6115 118.3758 61.0284 33.6906 176.2264 126 T 4.6023 7.5107 110.2871 59.6313 72.3518 175.4730 127 V 3.5454 8.0677 119.9564 66.0049 31.3860 177.3549 128 E 3.9257 8.2297 116.8433 59.8531 29.3794 179.2694 129 S 4.2149 7.4848 112.9679 61.5832 62.9971 175.9293 130 E 3.9689 8.0586 120.8752 59.2267 29.7642 179.5370 131 Q 4.4306 8.2679 118.4188 56.1282 29.0766 178.2155 *133 L 3.5803 7.9971 121.5298 54.3086 43.6482 179.4057 134 W 4.1515 7.3027 115.6308 58.4609 29.0349 177.3155 135 A 4.3459 7.4134 119.6876 53.2229 19.6012 178.5614 136 L 3.3630 6.9328 116.6312 56.9676 41.4158 179.2540 137 R 4.4900 6.7454 119.6039 58.6601 29.9559 178.0140 138 K 4.0017 7.0771 116.7325 59.5268 32.2105 178.8912 139 Q 4.0892 7.4839 116.8502 59.5764 28.6633 177.9774 140 F 5.1164 7.5857 118.4161 58.7304 39.7691 176.8759 141 G 3.8111 8.2932 107.6968 44.6884 0.0000 173.4801 142 G 4.5040 9.8827 104.4544 45.4953 0.0000 172.6403 143 T 4.8720 8.2186 113.5902 62.0186 72.9842 173.3634 144 I 4.9590 8.5217 126.3979 59.8926 39.0213 174.9865 145 S 4.9118 8.8433 121.6780 56.5978 67.4964 172.8544 146 S 4.5062 7.8593 114.1309 56.5990 66.1238 173.7816 147 F 4.9134 9.0324 120.6963 55.8948 42.0857 173.8763 148 A 4.8634 8.7625 126.7733 50.7028 19.9146 175.9763 149 I 4.4322 8.3824 123.4083 60.1628 39.6708 175.1158 150 S 5.2903 8.5959 122.6087 57.0370 65.9547 172.7671 151 H 5.1623 8.6285 119.9735 53.4341 31.6746 173.5689 152 E 4.3299 8.9354 120.4196 57.6734 30.5141 176.6163 153 H 4.4244 9.1087 121.7610 56.2526 32.7201 172.4084 154 T 4.5935 8.3860 124.3774 62.1038 68.5874 174.2685 155 V 3.8887 8.5650 126.8185 62.0727 32.2511 178.6171 156 G 3.8484 9.2336 121.7609 46.3221 0.0000 172.6038 157 S 4.3954 9.1170 116.4314 57.8106 64.8319 174.6056 158 F 5.0519 7.8752 120.3764 55.9171 42.1803 174.3046 159 I 4.5330 8.7332 124.9294 60.5619 38.4878 174.4019 160 T 4.5174 8.6595 114.3612 61.8059 70.9649 176.4706 *162 K 4.3998 8.9610 122.5975 55.3051 33.4372 171.0964 163 P 4.9422 0.0000 0.0000 61.7347 32.1143 176.1831 164 A 4.3841 8.8074 126.4136 51.2804 19.4622 177.0590 165 L 4.1286 8.3492 119.2538 54.1222 42.2915 176.0149 166 P 4.7962 0.0000 0.0000 62.7311 32.4738 175.7163 167 V 4.7008 8.6348 121.1864 61.5891 34.3958 173.9668 168 H 5.3743 9.0764 124.3199 54.2362 32.0389 173.4775 169 Q 5.4664 8.5359 122.7421 54.3440 32.6826 172.9271 170 W 5.3347 9.7953 135.0000 56.2330 32.3783 174.7828 171 T 4.9713 8.8836 124.6218 61.7895 70.7333 173.4580 172 V 4.6958 7.7235 125.7325 59.6190 35.3106 174.5450 173 V 4.7030 8.2891 120.8459 61.2017 33.5796 174.9118 174 K 4.5429 10.3708 128.5357 54.8915 34.7987 176.3141 175 A 4.0684 8.6750 124.8431 51.7770 18.7120 177.3670 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 3 G 8.21 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 4 Q 7.71 4.03 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 5 L 7.58 3.93 0.00 1.57 1.79 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.92 3.97 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 1.43 0.00 0.00 7 K 7.48 3.85 0.00 1.72 2.00 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.60 7.81 8 Q 8.12 3.93 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 9 H 8.36 4.22 0.00 3.21 3.27 0.00 5.67 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 10 V 7.84 3.54 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 1.09 0.00 0.00 1.02 0.00 0.00 11 R 7.71 3.78 0.00 1.88 1.88 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 12 A 7.65 4.34 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 13 L 7.51 3.99 0.00 1.46 1.19 -0.19 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.92 4.07 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 15 I 8.74 3.66 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.32 0.90 0.00 0.00 16 S 9.00 4.06 0.00 3.86 4.13 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 17 A 8.31 4.22 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 18 L 8.10 4.15 0.00 1.88 2.26 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.39 3.63 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 20 P 0.00 3.91 0.00 1.45 0.49 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 21 K 7.99 4.61 0.00 1.90 1.66 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.35 7.81 22 P 0.00 4.13 0.00 2.06 1.84 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 23 H 8.27 4.14 0.00 3.36 3.40 0.00 5.62 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.03 5.11 0.00 2.02 2.10 0.00 0.00 0.00 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 2.52 0.00 25 T 9.16 5.35 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 1.34 0.00 0.00 26 L 8.73 5.20 0.00 0.27 0.13 0.56 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.57 5.15 0.00 3.31 3.25 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 28 D 9.44 5.25 0.00 2.75 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 29 I 9.62 4.62 2.06 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 1.07 0.00 0.00 30 G 9.45 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 31 G 8.82 3.85 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 0.00 0.00 0.00 32 G 8.90 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 0.00 0.00 0.00 33 S 8.06 4.46 0.00 3.99 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 34 G 9.30 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.97 4.08 0.00 3.93 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 36 I 7.66 3.68 1.68 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.25 0.61 0.00 0.00 37 A 8.19 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 38 I 8.51 3.74 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 1.41 0.57 0.92 0.00 0.00 39 E 8.09 3.98 0.00 2.03 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 2.29 2.36 0.00 40 W 8.56 4.25 0.00 3.38 3.35 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 41 L 8.55 4.26 0.00 1.90 1.79 1.06 1.17 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 42 R 8.35 4.00 0.00 2.02 1.94 0.00 3.13 0.00 0.00 3.22 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 43 S 8.59 4.28 0.00 3.89 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 44 T 7.13 4.52 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 1.00 0.00 0.00 45 P 0.00 4.36 0.00 1.97 1.92 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 46 Q 8.74 3.49 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 47 T 7.32 5.22 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 48 T 9.19 5.09 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 1.28 0.00 0.00 49 A 9.07 4.94 1.19 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 0.00 0.00 50 V 9.33 4.65 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 1.08 0.00 0.00 51 C 8.20 5.23 0.00 2.73 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 52 F 8.21 5.17 0.00 3.02 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 53 E 8.93 4.54 0.00 2.04 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 2.18 2.26 0.00 54 I 8.66 3.65 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 1.18 0.92 0.91 0.00 0.00 55 S 8.08 4.13 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.94 4.01 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 2.29 2.34 0.00 57 E 7.98 4.61 0.00 2.00 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 0.00 2.28 2.23 0.00 58 R 7.84 3.92 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 59 R 7.92 4.06 0.00 1.99 1.94 0.00 3.07 0.00 0.00 3.62 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 60 E 7.29 4.46 0.00 1.99 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 2.41 0.00 61 R 7.67 4.53 0.00 1.83 1.84 0.00 3.22 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 62 I 7.61 3.72 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.89 0.00 0.00 63 L 7.59 3.99 0.00 1.74 1.63 0.90 0.76 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 64 S 8.06 4.07 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.90 4.40 0.00 3.10 2.79 0.00 0.00 7.11 8.39 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 66 A 7.83 3.94 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 67 I 7.63 4.16 2.07 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 1.53 1.34 0.91 0.00 0.00 68 N 7.75 4.31 0.00 2.86 2.87 0.00 0.00 7.12 7.88 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 69 L 7.69 4.24 0.00 1.62 1.72 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.72 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 71 V 7.37 4.39 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 0.84 0.00 0.00 1.02 0.00 0.00 72 S 8.03 4.19 0.00 4.00 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 0.00 73 D 8.14 4.37 0.00 2.65 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 74 R 7.86 4.79 0.00 1.94 2.05 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 75 I 8.22 5.42 1.89 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 1.19 2.01 0.90 0.00 0.00 76 A 8.50 4.72 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.30 3.96 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 0.78 0.00 0.00 0.87 0.00 0.00 78 Q 8.31 4.32 0.00 1.42 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.38 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 79 Q 7.59 5.52 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 80 G 8.40 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.96 3.33 -0.03 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 82 P 0.00 2.97 0.00 2.11 2.14 0.00 3.43 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 2.06 2.07 0.00 83 R 7.46 3.82 0.00 1.91 2.09 0.00 2.86 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.49 0.00 84 A 6.92 4.32 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 85 F 6.95 4.28 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.45 4.54 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 87 D 7.64 4.35 0.00 2.92 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 88 V 7.22 3.90 2.32 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 1.12 0.00 0.00 1.00 0.00 0.00 89 P 0.00 4.47 0.00 2.14 2.13 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 90 D 7.91 4.56 0.00 2.70 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 91 N 8.49 4.17 0.00 2.57 2.54 0.00 0.00 7.01 8.02 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 92 P 0.00 4.12 0.00 1.38 0.49 0.00 3.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.00 93 D 8.35 4.57 0.00 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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 2.38 0.00 129 S 7.48 4.21 0.00 4.00 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 0.00 130 E 8.06 3.97 0.00 1.90 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 0.00 2.30 1.94 0.00 131 Q 8.27 4.43 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.15 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 *133 L 8.00 3.58 0.00 0.98 0.92 0.76 0.95 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 0.00 134 W 7.30 4.15 0.00 3.37 3.04 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 0.00 135 A 7.41 4.35 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.93 3.36 0.00 0.27 1.09 0.12 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 137 R 6.75 4.49 0.00 1.18 1.70 0.00 3.17 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 138 K 7.08 4.00 0.00 1.82 1.73 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.71 7.81 139 Q 7.48 4.09 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 1.99 1.16 0.00 140 F 7.59 5.12 0.00 3.55 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 0.00 141 G 8.29 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 0.00 142 G 9.88 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 0.00 143 T 8.22 4.87 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 1.29 0.00 0.00 144 I 8.52 4.96 1.30 0.00 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.32 0.31 0.00 0.00 145 S 8.84 4.91 0.00 3.41 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 0.00 146 S 7.86 4.51 0.00 3.65 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 0.00 147 F 9.03 4.91 0.00 3.04 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 0.00 148 A 8.76 4.86 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 0.00 149 I 8.38 4.43 1.89 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 1.36 0.88 0.83 0.00 0.00 150 S 8.60 5.29 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 8.63 5.16 0.00 3.05 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.94 4.33 0.00 2.01 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 2.32 2.37 0.00 153 H 9.11 4.42 0.00 3.26 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.39 4.59 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 1.22 0.00 0.00 155 V 8.57 3.89 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 1.01 0.00 0.00 1.05 0.00 0.00 156 G 9.23 3.85 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 0.00 0.00 0.00 157 S 9.12 4.40 0.00 3.24 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 0.00 158 F 7.88 5.05 0.00 3.01 2.90 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 0.00 159 I 8.73 4.53 1.94 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 1.44 0.52 0.96 0.00 0.00 160 T 8.66 4.52 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 1.24 0.00 0.00 *162 K 8.96 4.40 0.00 1.89 1.82 0.00 1.40 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.40 7.81 163 P 0.00 4.94 0.00 2.11 2.06 0.00 3.17 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 164 A 8.81 4.38 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 0.00 165 L 8.35 4.13 0.00 1.69 1.66 0.95 1.06 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 0.00 166 P 0.00 4.80 0.00 1.90 1.98 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 167 V 8.63 4.70 2.36 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 1.31 0.00 0.00 1.04 0.00 0.00 168 H 9.08 5.37 0.00 3.14 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 8.54 5.47 0.00 2.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 170 W 9.80 5.33 0.00 3.23 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 0.00 171 T 8.88 4.97 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 1.20 0.00 0.00 172 V 7.72 4.70 1.88 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 0.19 0.00 0.00 1.03 0.00 0.00 173 V 8.29 4.70 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 0.84 0.00 0.00 0.92 0.00 0.00 174 K 10.37 4.54 0.00 1.67 1.40 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.39 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.11 1.23 7.81 175 A 8.67 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.