NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3503 0.0000 0.0000 62.5247 32.6510 175.4980 3 R 4.1569 8.2724 120.3965 55.1020 31.1002 174.9493 4 A 4.5826 7.8951 125.9611 49.4990 20.1990 175.3949 5 K 4.1312 8.1745 119.6224 56.7645 33.1673 177.6427 6 T 3.7633 8.1645 116.2069 65.7115 69.6561 177.2002 7 G 3.9243 7.6921 110.7004 46.0314 0.0000 174.8899 8 V 3.6185 8.9797 120.6584 67.1080 31.2266 178.8992 9 V 3.0456 6.5809 115.5985 64.6534 32.5961 177.1279 10 R 3.7850 7.9332 117.5549 59.7136 30.1526 178.6572 11 R 3.9477 8.0674 117.6888 59.5855 29.9273 178.4237 12 R 3.8986 7.8182 117.2272 59.3846 30.2922 179.2499 13 K 3.9999 7.9656 117.9908 59.5403 31.9222 179.2611 14 H 4.4199 8.0432 116.7215 58.7821 28.7629 177.9097 15 K 3.9822 8.3862 120.7994 59.6518 31.9418 178.8271 16 K 3.8459 7.6018 119.9195 59.6602 32.4189 178.4975 17 I 3.8933 7.3700 118.5423 64.2882 37.0591 178.1916 18 L 3.9666 7.9686 119.8601 57.8549 41.3003 179.5126 19 K 3.8582 8.4166 119.7607 59.5465 31.8867 178.8373 20 L 3.9535 7.8167 117.8614 56.9760 41.7188 178.4228 21 A 3.5909 7.9397 119.7581 51.0763 18.8184 176.8610 22 K 3.7088 6.7535 116.7653 58.0622 32.3516 175.8370 23 G 4.0271 8.9225 113.0991 46.3147 0.0000 173.8872 24 Y 4.6897 7.5560 116.8056 57.2596 38.7013 175.5822 25 W 4.2433 9.0691 131.8697 58.8442 32.7692 177.0249 26 G 3.6116 7.3809 112.5058 46.1036 0.0000 176.9037 27 L 4.0125 8.7938 127.7773 57.3283 41.6802 178.7124 28 R 4.1041 8.2686 117.6625 58.1246 30.0580 177.5499 29 S 4.8608 7.8654 110.0304 57.6213 64.2184 174.4645 30 K 4.2425 8.3587 120.5769 58.0591 33.4210 176.8185 31 S 4.2300 7.9729 117.1388 58.2476 62.4396 175.4566 *32 F 4.3643 8.6458 123.3519 57.1105 37.1112 172.2478 33 R 4.6361 8.1999 116.0169 56.0673 30.1224 176.0135 34 K 4.4405 7.9557 117.1603 57.5175 35.6267 178.8410 35 A 4.6205 7.9673 121.6994 54.5010 18.2261 179.1887 36 R 3.6912 7.8870 116.9058 59.2554 30.2478 178.0102 37 E 4.0554 8.0303 117.6030 60.1122 29.5509 179.8328 38 T 3.8184 8.2040 115.4892 66.6359 68.5022 176.8747 39 L 4.0486 8.5623 121.8469 58.4216 41.6201 178.6308 40 F 4.5372 8.3216 117.9214 60.3507 38.7158 176.9648 41 A 3.8136 8.2014 119.2012 55.4564 18.3646 179.7169 42 A 3.8093 7.8691 119.4023 55.1559 18.5398 180.1379 43 G 3.6244 8.2380 104.4272 47.9913 0.0000 175.7800 44 N 4.6233 8.1603 118.1874 55.9571 38.4699 177.2566 45 Y 4.1346 8.1087 118.2764 60.9876 38.0333 177.7722 46 A 4.1006 8.0311 121.6617 55.7057 18.0058 178.8691 47 Y 4.1948 8.0491 116.6851 61.1207 38.8484 178.2922 48 A 3.6597 8.2074 121.4327 55.1903 18.3729 179.3775 49 H 4.2728 8.7069 115.1986 59.0044 28.7407 177.8199 50 R 4.0367 8.2128 119.0930 59.3740 30.2615 178.9014 51 K 4.0459 7.6023 117.3356 59.5492 31.9979 179.4151 52 R 3.9208 7.4881 118.3669 59.2183 30.0214 178.7845 53 R 3.6426 8.3526 118.6928 59.6646 29.5182 178.4234 54 K 4.0265 7.6759 116.7797 58.7346 31.7560 178.2553 55 R 4.3768 7.5532 112.9424 56.2371 30.3496 177.1046 56 D 4.1297 8.1491 120.7683 56.4857 40.9359 178.0755 57 F 4.1954 7.5059 117.5877 59.2660 39.1029 177.9303 58 R 3.7448 6.8880 117.4803 59.5713 29.8695 179.1509 59 R 3.7798 7.2468 117.1375 59.0792 30.0757 178.5038 60 L 3.8862 7.0107 119.1585 58.1729 41.8220 179.0645 61 W 4.3759 7.6825 118.4611 59.8690 28.9971 178.1952 62 I 3.7317 7.6109 119.6451 64.6484 36.5451 178.3330 63 V 3.5036 7.8060 118.4418 66.0357 31.3058 177.8878 64 R 3.9058 8.1675 118.5175 60.0226 29.8557 178.0109 65 I 3.8875 8.8896 120.8699 64.1129 36.9423 177.5917 66 N 4.5826 9.2270 120.0284 57.0835 39.1933 176.3390 67 A 4.2134 8.2595 122.3923 54.4399 18.8852 178.9708 68 A 3.8873 8.5413 118.3822 55.3846 18.6291 179.5742 69 C 4.4248 9.0655 112.3857 60.6241 29.8069 175.1998 70 R 5.1354 7.6292 120.7127 57.3129 29.8769 177.0143 71 Q 4.2723 7.8132 117.4856 58.2753 29.2377 175.3855 72 H 4.9057 8.0237 116.6944 55.8401 29.5534 174.6521 73 G 4.3660 8.6689 112.4433 45.4910 0.0000 175.1088 74 L 4.3434 7.4441 119.0873 54.6399 41.8792 175.5102 75 N 5.1482 7.8881 117.2434 51.3979 39.5642 175.3944 76 Y 4.3246 9.0448 119.3748 62.4296 38.7743 178.1225 77 S 3.7572 8.5231 112.1106 62.4977 62.9020 176.5484 78 T 3.8796 9.0884 112.6814 65.5538 68.8437 175.8508 79 F 4.2399 8.3216 123.6283 61.3026 39.2407 177.0653 80 I 3.2367 7.7740 119.0355 64.6395 36.9070 177.5880 81 H 4.1386 7.9131 118.4207 59.5033 29.4255 177.0071 82 G 3.6791 8.6728 107.5243 48.1454 0.0000 175.6136 83 L 3.6480 7.9912 121.4229 56.8707 41.5417 179.4564 84 K 3.8344 8.5030 120.2259 59.3366 31.9754 178.6836 85 K 3.8333 8.5018 118.9454 59.5012 32.3394 178.3833 86 A 4.1029 8.6289 120.1978 52.9492 18.2307 178.1682 87 G 3.8415 7.6268 104.7577 46.0972 0.0000 175.3443 88 I 4.2395 7.3762 116.0024 59.2556 36.0101 176.1555 89 E 4.5477 7.7922 121.4734 57.4728 31.0829 178.5500 90 V 4.0870 7.9251 129.1260 62.5757 29.2433 178.7067 91 D 3.8632 9.7266 111.5655 53.7960 42.1449 172.3109 92 R 3.5893 8.7577 123.4211 56.8379 27.7713 178.6770 93 K 4.5707 7.3273 120.8723 58.8185 33.1807 177.6406 94 N 2.0000 7.3044 115.2789 55.7047 38.4023 175.4877 95 L 4.0380 8.3774 116.7442 55.4078 42.3777 176.7652 96 A 4.4674 7.1945 123.2174 51.8477 18.4443 177.5610 97 D 4.6908 7.6212 120.4856 53.7904 40.9572 178.4803 98 L 4.2397 7.8173 119.0111 57.2658 41.8025 179.1866 99 A 3.2051 7.9324 119.9357 54.0207 17.7404 177.2213 100 V 3.9833 7.6788 114.7290 64.0331 33.3145 175.4929 101 R 4.1989 7.5405 117.1700 56.5288 31.4992 176.6489 102 E 3.6447 8.8529 121.2805 56.9906 26.7985 174.3223 103 P 4.6821 0.0000 0.0000 64.4287 31.1581 177.0484 104 Q 3.9931 8.0047 117.7378 59.9062 28.9717 177.8503 105 V 3.6694 8.0458 118.8044 65.4913 31.2709 177.6852 106 F 3.8338 8.1414 118.8851 61.3404 39.8059 177.4147 107 A 4.2022 8.7546 120.7875 55.8444 18.2044 179.6441 108 E 3.9990 8.5166 116.5226 59.2301 29.2621 179.5948 109 L 4.1666 7.7300 118.7326 57.3071 41.8140 179.4608 110 V 3.1280 7.2271 117.9122 65.7596 31.5798 177.4655 111 E 3.8786 7.7662 117.8273 59.8220 29.1546 179.5233 112 R 3.8750 8.2137 116.3692 59.4318 30.2093 178.7355 113 A 4.1342 8.0067 120.6187 55.0131 18.3651 179.6023 114 K 4.0689 7.8090 114.4679 58.5047 33.1419 178.4935 115 A 4.1421 7.9714 123.0504 55.2165 18.0900 179.3329 116 A 4.3527 7.3144 117.0710 52.5084 17.9182 177.9227 117 Q 4.3054 7.9269 118.8364 55.5922 30.5123 175.7770 118 G 3.7373 8.5158 110.6424 45.5876 0.0000 171.7671 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 2 P 0.00 4.35 0.00 2.19 2.12 0.00 3.72 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 1.88 1.96 0.00 3 R 8.27 4.16 0.00 1.87 1.85 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 4 A 7.90 4.58 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 5 K 8.17 4.13 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 6 T 8.16 3.76 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 1.21 0.00 0.00 7 G 7.69 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 8 V 8.98 3.62 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 6.58 3.05 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 0.96 0.00 0.00 0.97 0.00 0.00 10 R 7.93 3.78 0.00 1.90 1.93 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 11 R 8.07 3.95 0.00 1.93 2.07 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 12 R 7.82 3.90 0.00 2.05 1.95 0.00 3.18 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 1.65 1.87 0.00 13 K 7.97 4.00 0.00 1.69 1.81 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.59 7.81 14 H 8.04 4.42 0.00 3.53 3.29 0.00 5.64 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 15 K 8.39 3.98 0.00 1.92 2.08 0.00 1.34 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.59 7.81 16 K 7.60 3.85 0.00 1.90 2.07 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.48 7.81 17 I 7.37 3.89 1.86 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 1.69 0.94 0.86 0.00 0.00 18 L 7.97 3.97 0.00 1.86 1.70 0.89 0.65 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 19 K 8.42 3.86 0.00 1.83 1.96 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 20 L 7.82 3.95 0.00 1.83 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.94 3.59 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 22 K 6.75 3.71 0.00 1.57 1.73 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 23 G 8.92 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.56 4.69 0.00 3.00 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 25 W 9.07 4.24 0.00 3.52 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 26 G 7.38 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.79 4.01 0.00 1.78 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.27 4.10 0.00 2.22 2.04 0.00 3.35 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 1.64 1.65 0.00 29 S 7.87 4.86 0.00 3.87 4.14 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 30 K 8.36 4.24 0.00 1.71 1.85 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.44 7.81 31 S 7.97 4.23 0.00 3.85 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 *32 F 8.65 4.36 0.00 2.34 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 0.00 0.00 0.00 0.00 33 R 8.20 4.64 0.00 1.81 1.97 0.00 2.99 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 34 K 7.96 4.44 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.37 7.81 35 A 7.97 4.62 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 36 R 7.89 3.69 0.00 1.73 1.72 0.00 3.17 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.21 0.00 37 E 8.03 4.06 0.00 2.18 2.04 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 2.52 2.47 0.00 38 T 8.20 3.82 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 0.40 0.00 0.00 39 L 8.56 4.05 0.00 1.75 1.66 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.32 4.54 0.00 3.29 2.82 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 41 A 8.20 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.87 3.81 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 43 G 8.24 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.62 0.00 2.80 3.00 0.00 0.00 6.99 7.24 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 45 Y 8.11 4.13 0.00 3.17 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 46 A 8.03 4.10 1.53 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 47 Y 8.05 4.19 0.00 3.07 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 48 A 8.21 3.66 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 49 H 8.71 4.27 0.00 3.36 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.21 4.04 0.00 1.78 2.06 0.00 3.25 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 51 K 7.60 4.05 0.00 1.84 1.72 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.11 7.81 52 R 7.49 3.92 0.00 1.83 2.04 0.00 3.28 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 53 R 8.35 3.64 0.00 1.75 2.08 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 54 K 7.68 4.03 0.00 1.92 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 1.63 7.81 55 R 7.55 4.38 0.00 1.95 2.09 0.00 2.90 0.00 0.00 3.29 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 56 D 8.15 4.13 0.00 2.52 2.29 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 57 F 7.51 4.20 0.00 2.73 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 58 R 6.89 3.74 0.00 1.78 2.02 0.00 3.11 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 59 R 7.25 3.78 0.00 1.75 1.85 0.00 3.04 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 60 L 7.01 3.89 0.00 1.74 1.59 1.05 1.10 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 61 W 7.68 4.38 0.00 3.58 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.61 3.73 1.82 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 1.72 1.02 0.10 0.00 0.00 63 V 7.81 3.50 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 0.97 0.00 0.00 0.90 0.00 0.00 64 R 8.17 3.91 0.00 2.33 1.99 0.00 3.23 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 65 I 8.89 3.89 2.25 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.93 1.34 0.00 0.00 66 N 9.23 4.58 0.00 2.67 2.94 0.00 0.00 7.35 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 67 A 8.26 4.21 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 68 A 8.54 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.07 4.42 0.00 3.06 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 70 R 7.63 5.14 0.00 2.23 2.16 0.00 3.15 0.00 0.00 3.05 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 71 Q 7.81 4.27 0.00 2.13 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.20 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 72 H 8.02 4.91 0.00 3.11 3.22 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.67 4.37 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 0.00 74 L 7.44 4.34 0.00 1.88 1.78 0.83 0.10 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 75 N 7.89 5.15 0.00 2.92 3.06 0.00 0.00 6.90 7.45 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 76 Y 9.04 4.32 0.00 3.33 3.18 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 77 S 8.52 3.76 0.00 4.14 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 78 T 9.09 3.88 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 79 F 8.32 4.24 0.00 3.15 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 80 I 7.77 3.24 1.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.13 0.73 0.00 0.00 81 H 7.91 4.14 0.00 3.20 3.57 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.67 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 0.00 0.00 0.00 83 L 7.99 3.65 0.00 1.82 1.64 1.27 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.50 3.83 0.00 1.91 1.96 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 85 K 8.50 3.83 0.00 1.72 1.74 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.47 7.81 86 A 8.63 4.10 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 87 G 7.63 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.38 4.24 1.84 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 1.42 1.20 0.95 0.00 0.00 89 E 7.79 4.55 0.00 2.08 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 0.00 2.25 2.27 0.00 90 V 7.93 4.09 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 0.88 0.00 0.00 0.91 0.00 0.00 91 D 9.73 3.86 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.76 3.59 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 93 K 7.33 4.57 0.00 2.11 2.18 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.27 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.74 1.72 7.81 94 N 7.30 2.00 0.00 1.44 2.22 0.00 0.00 6.98 7.78 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 95 L 8.38 4.04 0.00 1.76 1.58 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.19 4.47 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.62 4.69 0.00 2.79 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 98 L 7.82 4.24 0.00 2.05 1.97 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.93 3.21 0.30 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 0.00 100 V 7.68 3.98 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 0.80 0.00 0.00 0.88 0.00 0.00 101 R 7.54 4.20 0.00 1.90 1.82 0.00 3.31 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 102 E 8.85 3.64 0.00 2.19 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 0.00 2.30 2.23 0.00 103 P 0.00 4.68 0.00 2.29 2.44 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 104 Q 8.00 3.99 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 105 V 8.05 3.67 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 1.11 0.00 0.00 0.96 0.00 0.00 106 F 8.14 3.83 0.00 3.24 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.75 4.20 1.53 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 0.00 108 E 8.52 4.00 0.00 2.10 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 2.33 2.52 0.00 109 L 7.73 4.17 0.00 1.52 1.64 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.23 3.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.56 0.00 0.00 111 E 7.77 3.88 0.00 2.11 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 2.52 2.49 0.00 112 R 8.21 3.87 0.00 1.86 2.00 0.00 3.31 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 113 A 8.01 4.13 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 0.00 114 K 7.81 4.07 0.00 1.89 1.90 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.40 7.81 115 A 7.97 4.14 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 0.00 116 A 7.31 4.35 1.22 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 0.00 0.00 117 Q 7.93 4.31 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 118 G 8.52 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 * Residues marked with a * may have inaccurate shift predictions.