NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 3.3459 8.2644 123.5298 51.7496 20.0002 175.5456 5 E 4.5758 7.1562 122.3379 52.9055 33.8342 171.6431 6 W 5.3835 7.3880 118.3382 55.7537 31.3224 172.8342 7 E 4.7557 9.3240 118.0390 54.4473 32.5180 175.2400 8 S 5.1655 9.2377 118.8357 58.9985 63.7045 173.5528 9 I 4.6905 9.0102 118.0673 59.7275 39.4983 175.3271 10 T 4.5362 8.1843 113.5248 59.2687 71.2078 172.1328 11 P 4.5014 0.0000 0.0000 61.3277 32.4896 173.6527 12 P 4.5281 0.0000 0.0000 62.3433 32.7168 175.8604 13 V 4.0772 8.3679 121.3900 61.3736 31.8381 175.6668 14 V 3.9002 8.3000 121.0941 61.4116 33.2396 175.7330 15 D 4.5750 8.7263 119.9638 55.2235 38.4319 174.1324 16 A 4.3501 7.2869 121.1052 51.1454 19.0410 176.9929 17 P 4.4529 0.0000 0.0000 62.4905 32.3169 176.5349 18 A 4.2704 8.8137 122.1362 54.7272 19.2434 177.7688 19 V 4.9581 7.9387 113.3769 61.1018 34.6722 175.2150 20 V 4.6223 9.1289 126.9147 61.0083 34.9779 173.6240 21 E 5.2682 8.9993 128.2353 54.4563 32.5527 174.4680 22 F 5.2292 9.4901 127.0008 57.2589 40.6081 174.9696 23 F 5.1975 9.2180 117.5501 55.6306 42.1839 172.9380 24 S 4.1600 8.3121 112.0999 56.1507 65.3263 174.6916 25 F 4.1974 8.7893 124.2809 59.8107 38.7701 175.5029 26 Y 4.4631 7.9785 117.1100 58.1826 38.3050 175.4660 27 C 4.5498 8.0954 121.8678 57.2397 32.3156 171.7271 28 P 4.3356 0.0000 0.0000 65.5677 31.0449 176.9136 29 P 4.1207 0.0000 0.0000 65.3880 31.1392 178.3876 30 C 3.8474 7.8986 115.2656 62.9297 28.0460 175.2076 31 Y 2.7201 8.0426 120.7524 60.2614 38.0808 178.1158 32 A 4.1422 7.9582 123.1785 54.7315 18.4297 179.5982 33 F 4.1381 8.6217 116.6728 60.3914 38.6630 177.6790 34 S 4.1346 7.6444 111.5363 60.5304 62.6466 175.2730 35 Q 4.4189 7.7277 118.7752 56.0996 29.9941 176.5806 36 T 4.2416 6.8840 108.2378 61.5610 69.1852 175.1327 *38 G 3.5414 7.8600 109.4871 45.7334 0.0000 175.9327 39 V 3.3021 7.7062 121.0627 65.6723 31.3962 177.0326 40 D 4.3092 8.1047 118.8407 57.5716 40.6463 178.7879 41 Q 3.9022 7.9438 119.2088 59.0262 28.9360 177.8150 42 A 3.9852 7.8745 121.0642 55.0095 18.5970 179.4521 43 I 3.8010 7.8763 118.4112 64.7196 37.3287 178.8580 44 R 3.9106 8.2162 119.0489 59.4847 29.6366 178.4928 45 H 4.2605 8.3443 116.9014 58.0653 29.8741 176.0208 46 V 4.2494 7.3737 111.7105 60.7041 32.2279 175.8546 47 L 4.0102 7.4651 120.8935 54.1554 42.0215 175.6110 48 P 4.3893 0.0000 0.0000 61.9820 32.0307 175.4458 49 Q 4.1252 8.3883 121.1325 57.8624 29.1152 177.1368 50 G 3.9927 8.9065 112.8870 45.6611 0.0000 173.7481 51 S 4.5808 7.6805 115.7116 58.2493 64.5825 174.0647 52 R 4.4334 7.8755 120.3689 55.3939 32.8873 173.9613 *54 V 4.0629 8.3321 116.1095 62.6807 33.1101 174.9077 55 K 4.9497 8.5134 125.7763 54.7816 34.5095 174.9933 56 Y 5.2091 8.5021 121.8471 56.4653 41.1027 174.6170 57 H 3.9738 9.4083 124.0308 55.6092 30.9326 174.5872 58 V 4.4443 7.4632 117.4874 59.9557 33.1698 176.3861 59 S 4.4294 8.3671 119.8896 59.8319 63.4985 176.4883 60 L 3.8676 7.5958 119.6533 57.5623 40.3965 176.7957 61 L 4.1260 7.7003 121.4724 54.5061 42.9804 176.8948 62 G 3.0546 8.3121 111.5593 44.1015 0.0000 172.4719 63 P 4.1778 0.0000 0.0000 65.1576 31.5202 177.7728 64 L 4.8762 7.8881 116.1104 54.0036 42.0642 178.4064 65 G 4.4438 7.9936 110.1328 47.9939 0.0000 176.0059 66 H 4.2722 8.1982 118.2097 58.3308 28.4382 177.5941 67 E 4.0267 8.2147 120.0333 59.3647 29.2507 179.2909 68 L 3.8120 8.2022 119.1876 57.9319 41.6139 179.4361 69 T 3.8831 7.8710 115.7272 66.8538 68.4188 176.5946 70 R 3.9257 8.3319 120.3235 59.1345 30.0449 178.3524 71 A 3.9857 8.3614 121.1010 54.8540 18.1643 179.4047 72 W 4.2772 8.8326 126.3227 60.6536 30.9158 177.5690 73 A 4.1758 8.2931 120.0063 55.1995 17.8181 179.1436 74 L 4.0377 7.6698 117.6046 58.0192 42.4474 179.3445 75 A 4.0230 8.1472 118.2369 53.0235 18.2811 178.3541 *77 V 3.9008 7.4991 117.1921 64.2220 32.7275 175.8168 *79 K 4.1470 7.8482 115.0560 56.4182 33.3325 176.0137 80 E 4.6503 8.4295 115.9403 56.1808 30.4097 178.7455 81 T 3.4968 7.8148 113.4627 64.5986 68.2037 175.2789 82 D 4.4523 8.1393 121.5376 56.8658 39.2090 179.2511 83 V 3.6725 7.6772 114.0387 63.5447 31.5963 178.6080 84 I 3.7031 7.8495 119.7902 64.1474 36.9281 178.0519 85 E 4.6078 8.9831 120.6444 59.4538 29.6208 178.8083 86 K 4.3147 8.0660 119.0350 59.6031 32.2087 178.5900 87 A 3.9136 8.1730 121.0654 55.2333 18.2524 179.5982 88 F 3.8398 8.2202 116.1579 60.1296 38.6070 178.2560 89 F 4.6637 8.1093 117.0755 60.8407 38.9652 177.5395 90 T 4.0716 8.2948 115.2141 66.6800 68.2205 176.5162 91 A 4.0204 8.3444 123.0863 54.6442 18.3470 178.9498 92 G 3.7354 7.9537 101.8008 45.3160 0.0000 175.5541 *94 V 3.9164 7.4719 119.7731 62.6736 32.9899 176.0283 95 E 4.3040 8.3502 116.0365 55.5531 30.1815 176.1032 96 K 3.9768 8.0322 118.0533 57.8475 30.1266 175.0681 97 R 4.5818 8.1790 109.2033 56.2177 30.0747 176.4050 98 L 4.5859 7.7037 119.2842 54.0811 41.4383 175.2313 99 H 4.8821 10.0588 119.5865 55.8259 31.3865 174.6225 100 S 4.8970 7.8482 111.6345 54.8598 66.2620 172.8958 101 P 4.3309 0.0000 0.0000 65.8958 30.9157 178.7263 102 D 4.3732 7.8265 116.5664 57.2035 40.5665 178.4334 103 D 4.3382 7.8928 119.0766 57.3783 40.8775 178.7742 104 V 3.9260 7.9223 118.0897 66.3772 31.2416 177.8623 105 R 3.2295 7.4938 116.5460 59.1044 29.8977 178.1250 106 R 3.9068 7.7112 117.4534 59.4229 30.4087 178.3845 107 V 3.5748 7.9295 118.3200 65.6037 31.4491 178.0860 108 F 3.7589 7.9288 116.6810 59.2214 38.7282 176.3361 *110 S 4.2687 8.0154 112.9101 57.7129 63.8385 174.7530 111 A 4.0961 7.8529 122.4139 54.1009 18.3719 178.0758 112 T 4.1616 7.7264 104.3430 61.0614 70.1521 176.0534 113 G 3.9094 8.2983 108.5606 45.1585 0.0000 173.2658 114 I 3.8867 7.4198 119.5862 60.6202 38.6966 176.4754 115 S 4.4955 8.4375 121.3836 57.5454 65.2483 175.1324 116 R 3.9875 8.6571 122.4298 59.9446 29.7110 178.8647 117 G 3.5949 8.0513 104.6704 47.7908 0.0000 175.1035 118 E 3.9890 8.1652 121.3996 58.9302 29.5546 178.2068 119 Y 3.8560 8.4482 120.0551 60.9535 38.6902 177.9406 120 D 4.4679 8.2571 118.3642 57.4671 40.9420 178.7665 121 R 4.0897 7.8533 117.8705 59.1271 30.3649 178.8372 122 S 4.2028 8.2322 115.2749 61.2990 62.7147 176.4265 123 I 3.4360 7.6166 120.7950 62.5004 37.5162 176.4234 124 K 4.5249 7.3643 116.6863 56.0301 33.1051 176.7660 125 S 4.2782 8.1014 115.6060 58.1579 64.7966 172.9989 126 P 4.1915 0.0000 0.0000 65.9093 30.8255 178.7074 127 A 3.9674 7.9001 118.1671 55.2981 18.3883 179.3866 128 V 3.6976 7.2555 115.6049 65.9125 31.8057 177.5694 129 N 4.5168 8.4913 116.7668 56.3867 38.2531 177.3653 130 D 4.5232 8.0324 116.1082 55.2546 40.5844 178.3879 *132 V 3.9741 7.7098 120.0387 63.0135 33.4228 177.1401 133 A 4.0102 8.2893 121.6119 55.2751 18.0197 179.1434 134 L 3.8810 8.2321 118.9059 58.6815 42.1846 179.3752 135 Q 3.8370 7.9151 117.2689 58.8890 28.7648 178.3916 136 E 4.0461 8.3625 119.7794 59.0985 29.5616 179.1632 137 R 4.0265 8.3919 119.2077 59.6813 30.1533 178.7269 138 L 4.2231 8.3022 118.8167 57.5433 41.5624 179.0449 139 F 3.5773 8.3878 120.8237 61.2246 39.0604 177.2984 140 K 4.1011 7.9424 116.4071 59.0746 31.8328 179.1992 141 E 3.8883 8.0937 117.9669 59.5947 29.4342 177.8658 142 Y 3.7174 8.1099 114.3555 58.0739 38.2251 175.3563 143 G 3.6593 7.3425 107.6665 46.3003 0.0000 174.5252 144 V 3.5193 6.8089 118.0580 61.9548 31.9052 175.6185 145 R 4.5045 8.2216 123.2067 55.1669 32.0585 175.4050 146 G 4.0341 6.9773 103.9382 45.8649 0.0000 171.8707 147 T 5.0503 8.2061 108.1518 58.9406 71.9649 172.1479 148 P 4.7505 0.0000 0.0000 63.1128 32.6579 175.6072 149 S 4.7850 9.0828 118.3228 56.9564 65.7561 173.0043 150 V 4.8551 8.3979 125.1400 61.5185 33.6046 173.8713 151 Y 5.4369 9.4299 125.5249 56.2416 41.5238 174.6058 152 V 4.4790 9.2688 123.5383 61.9211 34.2060 175.8678 153 R 3.8854 10.5117 128.1763 57.2526 28.5168 177.1879 154 G 4.1148 8.4481 101.9498 45.8072 0.0000 175.5848 155 R 4.2969 8.1470 118.7572 56.4213 33.5680 175.2890 156 Y 5.3841 7.7428 116.2943 56.4645 40.9361 174.3130 157 H 5.2073 9.5300 125.0433 54.5309 31.6402 174.1506 158 I 4.1799 8.5716 128.0313 61.4354 38.0115 175.7535 159 N 4.6689 8.9471 126.1165 52.3045 38.5348 175.2748 160 N 4.8852 9.1626 124.6319 56.1292 38.9526 176.1222 161 A 4.5737 8.5034 118.9667 52.2613 18.6940 177.1395 162 A 4.6093 8.1708 118.6156 52.1737 19.3089 176.9088 163 F 4.7451 8.3440 116.0720 56.3168 41.4653 175.2126 164 G 4.2386 8.1913 112.5045 43.8799 0.0000 172.0625 165 A 4.2987 8.1324 121.9858 51.5513 21.6105 176.4710 166 F 5.0485 8.5993 118.5220 58.1828 40.0532 176.5883 167 S 4.8353 7.6289 115.1415 55.3534 67.4163 174.7301 168 V 3.5911 8.3427 121.8993 66.3722 31.2690 177.8313 169 E 3.9642 8.1833 118.3515 59.4913 29.4275 178.4239 170 N 4.3852 8.1017 116.3144 55.9783 38.5212 177.1676 171 F 3.8940 8.3810 122.1369 61.2475 39.5132 176.8803 172 R 3.7673 8.5557 118.6166 59.7436 29.8599 178.3521 173 S 4.0512 8.0211 112.6299 61.3881 62.3521 176.3704 174 R 3.9423 8.1868 121.0732 59.1396 29.8326 178.2351 175 Y 2.9724 7.6984 119.3081 60.4702 38.7171 178.2256 176 A 3.9801 8.1233 121.3932 54.8869 18.3737 179.3501 177 A 3.9576 8.0431 119.5115 55.3600 18.3950 180.1046 178 V 3.4784 7.6330 116.2831 65.8934 31.6247 178.3981 179 V 3.4144 7.5472 118.0549 65.8855 31.1334 177.6341 180 R 3.7821 8.0460 117.4051 59.5282 30.2549 177.5870 181 K 3.8678 8.0226 119.1477 59.9056 31.8813 178.4802 182 L 3.6990 7.3834 116.9645 56.7796 41.5876 178.5753 183 L 4.2206 7.5468 117.0900 54.6533 42.2351 177.0964 184 A 4.0237 7.0998 122.2406 51.8972 18.9676 177.7626 185 G 3.4597 8.7147 108.6553 45.4937 0.0000 172.9276 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 4 A 8.26 3.35 1.15 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 5 E 7.16 4.58 0.00 1.81 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 2.02 1.94 0.00 6 W 7.39 5.38 0.00 3.51 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 7 E 9.32 4.76 0.00 2.08 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 2.44 2.48 0.00 8 S 9.24 5.17 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 9.01 4.69 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 1.20 0.00 0.00 10 T 8.18 4.54 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 1.23 0.00 0.00 11 P 0.00 4.50 0.00 2.14 2.06 0.00 3.71 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 1.90 1.93 0.00 12 P 0.00 4.53 0.00 1.87 1.99 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 13 V 8.37 4.08 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 0.79 0.00 0.00 -0.12 0.00 0.00 14 V 8.30 3.90 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 0.71 0.00 0.00 0.91 0.00 0.00 15 D 8.73 4.57 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.29 4.35 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 17 P 0.00 4.45 0.00 2.24 2.05 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 18 A 8.81 4.27 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 19 V 7.94 4.96 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 0.83 0.00 0.00 0.96 0.00 0.00 20 V 9.13 4.62 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 0.47 0.00 0.00 1.04 0.00 0.00 21 E 9.00 5.27 0.00 2.08 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 0.00 2.29 2.39 0.00 22 F 9.49 5.23 0.00 3.21 3.10 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 23 F 9.22 5.20 0.00 2.95 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 24 S 8.31 4.16 0.00 3.70 3.66 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 25 F 8.79 4.20 0.00 2.80 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 26 Y 7.98 4.46 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.10 4.55 0.00 3.07 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 28 P 0.00 4.34 0.00 2.21 2.14 0.00 3.69 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 29 P 0.00 4.12 0.00 1.75 1.79 0.00 3.56 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 2.00 2.08 0.00 30 C 7.90 3.85 0.00 3.32 3.22 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 31 Y 8.04 2.72 0.00 2.76 3.05 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 0.00 0.00 0.00 0.00 32 A 7.96 4.14 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 33 F 8.62 4.14 0.00 2.96 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.64 4.13 0.00 3.88 3.66 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 35 Q 7.73 4.42 0.00 1.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.09 2.68 0.00 36 T 6.88 4.24 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 0.76 0.00 0.00 *38 G 7.86 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.71 3.30 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 -0.03 0.00 0.00 0.41 0.00 0.00 40 D 8.10 4.31 0.00 2.67 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 41 Q 7.94 3.90 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 42 A 7.87 3.99 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 43 I 7.88 3.80 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 0.92 0.00 0.00 44 R 8.22 3.91 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 45 H 8.34 4.26 0.00 3.22 3.51 0.00 5.91 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.37 4.25 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 0.77 0.00 0.00 1.00 0.00 0.00 47 L 7.47 4.01 0.00 1.74 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.39 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 49 Q 8.39 4.13 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 50 G 8.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 *132 V 7.71 3.97 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 1.01 0.00 0.00 0.99 0.00 0.00 133 A 8.29 4.01 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 0.00 134 L 8.23 3.88 0.00 1.83 1.69 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.92 3.84 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 136 E 8.36 4.05 0.00 2.01 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 0.00 2.54 2.46 0.00 137 R 8.39 4.03 0.00 1.93 2.16 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 138 L 8.30 4.22 0.00 1.77 2.10 0.60 1.37 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 0.00 139 F 8.39 3.58 0.00 3.38 3.22 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 0.00 140 K 7.94 4.10 0.00 2.07 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.81 7.81 141 E 8.09 3.89 0.00 1.93 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 2.30 2.48 0.00 142 Y 8.11 3.72 0.00 2.50 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 0.00 0.00 0.00 143 G 7.34 3.66 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 0.00 0.00 0.00 144 V 6.81 3.52 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 -0.41 0.00 0.00 145 R 8.22 4.50 0.00 1.78 1.90 0.00 3.36 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 146 G 6.98 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 0.00 147 T 8.21 5.05 4.30 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 1.28 0.00 0.00 148 P 0.00 4.75 0.00 2.13 1.98 0.00 3.51 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.94 0.00 149 S 9.08 4.79 0.00 4.01 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 0.00 150 V 8.40 4.86 2.23 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 1.07 0.00 0.00 1.23 0.00 0.00 151 Y 9.43 5.44 0.00 3.12 3.14 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 0.00 152 V 9.27 4.48 2.30 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 1.12 0.00 0.00 0.97 0.00 0.00 153 R 10.51 3.89 0.00 1.87 1.95 0.00 3.53 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 154 G 8.45 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 0.00 155 R 8.15 4.30 0.00 0.67 1.36 0.00 2.49 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.49 0.00 156 Y 7.74 5.38 0.00 2.87 2.78 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 0.00 157 H 9.53 5.21 0.00 3.54 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.57 4.18 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.57 0.00 0.00 159 N 8.95 4.67 0.00 2.80 2.85 0.00 0.00 6.99 6.87 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 0.00 160 N 9.16 4.89 0.00 2.96 3.20 0.00 0.00 7.09 7.35 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 0.00 161 A 8.50 4.57 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 0.00 162 A 8.17 4.61 1.07 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 0.00 163 F 8.34 4.75 0.00 3.02 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 0.00 164 G 8.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.13 4.30 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 0.00 166 F 8.60 5.05 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.63 4.84 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.34 3.59 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 0.89 0.00 0.00 0.90 0.00 0.00 169 E 8.18 3.96 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 170 N 8.10 4.39 0.00 2.79 2.86 0.00 0.00 6.67 9.28 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 0.00 171 F 8.38 3.89 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.56 3.77 0.00 1.90 2.10 0.00 3.22 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 173 S 8.02 4.05 0.00 4.02 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 0.00 174 R 8.19 3.94 0.00 2.01 2.08 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 175 Y 7.70 2.97 0.00 2.22 2.44 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 0.00 176 A 8.12 3.98 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 0.00 177 A 8.04 3.96 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 0.00 178 V 7.63 3.48 2.26 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 0.99 0.00 0.00 1.04 0.00 0.00 179 V 7.55 3.41 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 0.92 0.00 0.00 0.84 0.00 0.00 180 R 8.05 3.78 0.00 1.85 2.10 0.00 3.32 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 181 K 8.02 3.87 0.00 1.84 1.88 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.41 7.81 182 L 7.38 3.70 0.00 1.58 1.38 0.32 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.55 4.22 0.00 1.76 1.70 0.91 0.84 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 0.00 184 A 7.10 4.02 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 0.00 185 G 8.71 3.46 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 0.00 * Residues marked with a * may have inaccurate shift predictions.