NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 D 4.6053 8.3229 119.5433 53.2790 42.6603 177.7374 *40 D 4.2859 8.2437 118.7403 55.6748 40.9336 179.5052 41 A 4.1520 8.0424 120.9294 55.0452 19.7364 178.5434 42 V 3.6696 7.7772 114.6010 65.8747 31.9098 177.0393 43 A 4.1045 7.6067 121.5004 55.1237 18.7875 178.4698 44 S 4.3696 7.2856 110.4756 57.6191 62.0951 173.9082 *46 Q 4.0309 7.4987 116.8987 57.0133 29.8840 174.9372 47 T 4.8051 8.2217 115.8869 62.3155 70.2085 173.7966 48 Y 4.8149 9.0779 125.2362 57.3914 40.0044 175.8607 49 S 4.8453 9.4020 118.1398 57.6487 65.2053 175.5920 50 V 3.6857 8.5757 118.3913 65.9561 31.2134 177.3504 51 A 4.0390 8.7843 120.9892 55.4576 18.0250 179.4229 52 Q 4.0746 8.1232 114.9289 59.4524 28.9913 178.9860 53 F 4.2754 8.3238 119.9347 61.0698 39.6199 176.6307 54 L 3.9633 8.1531 117.8969 56.1793 41.4986 178.5803 55 Q 3.9783 7.7950 120.1148 59.1769 28.9042 177.2582 56 P 4.2600 0.0000 0.0000 65.3799 31.1101 178.6560 57 F 3.9738 7.8781 115.7050 60.5216 38.9377 177.3562 58 T 4.0385 7.8861 115.0969 66.3033 68.2592 176.2825 59 L 4.3372 7.4812 121.0960 56.7035 42.6460 176.7307 60 N 4.3860 7.9409 118.0787 51.0961 40.6008 172.8326 61 P 4.4153 0.0000 0.0000 65.3470 31.5175 178.2915 62 A 3.9343 8.0222 120.6563 54.8272 18.3919 179.2032 63 K 3.7439 8.3220 117.8872 59.6105 32.2835 178.8258 64 A 3.6841 8.0484 121.3303 55.1319 18.0165 179.4828 65 S 4.2080 8.0679 111.7609 61.7115 62.2038 176.3625 66 S 4.1707 7.8190 114.8443 61.2027 62.1774 175.5313 67 D 4.4015 8.1042 121.2191 56.7675 40.9408 177.3186 68 Y 4.5913 8.1344 115.1977 56.4865 38.2306 175.1051 69 L 4.0402 7.1218 122.6378 56.8777 42.2761 177.4873 70 G 3.8853 9.0623 114.7121 45.4123 0.0000 173.4347 71 K 4.5094 8.2385 119.7096 55.7282 33.9444 175.6986 72 W 5.3513 8.8525 121.0275 55.2726 31.6433 175.9546 73 V 4.7235 8.8831 115.8802 59.5030 35.8975 174.4946 74 K 4.9138 8.9303 124.9135 54.9822 34.2201 174.6392 75 V 4.9631 8.7326 128.0720 61.0957 34.2055 174.0254 76 R 5.0474 8.4436 128.1627 54.8923 32.1036 175.1870 77 G 4.0547 8.6062 111.5349 46.2200 0.0000 171.5434 78 V 4.7515 8.1841 120.2405 61.3205 32.5555 176.0383 79 I 4.1639 8.5435 129.7396 61.7648 37.6082 176.8935 80 V 4.5497 8.6790 118.7793 61.1568 33.8254 175.3646 81 D 4.7533 7.5928 118.4457 54.0551 44.5397 173.9227 82 I 5.0696 8.2397 125.6345 59.7201 40.8218 174.9271 83 R 4.5472 8.5267 124.7108 55.4512 34.0320 173.4218 84 R 4.6435 8.7415 127.1857 55.4956 31.3808 175.3856 85 K 4.5231 8.5087 125.0499 54.2236 35.9205 175.7949 86 S 4.5355 8.6947 120.0347 58.7146 63.5895 173.8974 87 G 4.4243 8.7048 111.2970 43.7396 0.0000 172.7850 88 I 4.1646 8.3149 119.6131 60.6898 38.7867 175.4674 89 A 3.8532 9.4579 122.9182 53.5377 15.5187 177.9300 90 G 3.8990 7.9864 105.6007 45.5311 0.0000 172.4729 91 S 4.9243 7.6459 115.3401 56.9319 65.9411 172.2098 92 Y 5.3665 7.8652 117.2149 55.9997 41.5022 173.1678 93 Y 4.7170 8.2722 117.0211 56.2977 42.2441 173.1622 94 F 5.4067 9.8447 117.6112 55.7947 43.1574 174.4972 95 I 5.2164 8.9230 123.0182 59.7365 39.6833 174.6252 96 V 4.7112 9.0276 127.3281 61.5783 33.9675 174.8856 97 T 5.5667 9.4540 124.2639 60.8814 72.4068 173.1627 *99 R 4.4223 8.1877 117.8773 55.8208 31.5269 174.6232 100 D 4.6769 8.4800 119.2866 54.1439 41.8425 176.6556 101 E 4.0174 9.0560 127.2184 58.8543 29.7286 177.3429 102 Q 4.6434 7.9557 116.4745 57.2186 29.3602 174.7445 103 N 4.2076 8.2906 113.5480 54.7417 36.9450 177.2460 104 K 4.0439 8.4840 119.9533 56.3985 32.1012 179.3461 105 T 4.7340 7.3877 112.9654 62.0647 70.3910 173.9206 106 D 4.6565 8.5777 124.1409 54.0631 40.5748 177.6550 107 K 4.3387 7.6621 116.7527 57.0096 32.7996 176.4232 108 R 4.7349 8.2462 120.3239 54.5306 32.3498 175.0753 109 L 4.7189 8.4074 123.6671 53.5574 44.5565 175.1458 110 T 5.0178 8.2050 115.1541 60.0287 72.3383 172.8199 111 F 5.0990 9.2860 120.7650 55.6979 43.2739 173.6313 112 N 5.5080 8.9661 121.3429 52.1867 40.6515 173.4654 113 F 4.7917 9.7802 126.6968 55.7230 41.2378 176.8134 114 G 4.2224 8.8351 112.8175 44.7481 0.0000 174.2979 115 S 4.0276 8.5720 113.8960 61.3798 62.6821 176.1536 116 H 4.4266 8.3223 114.5202 57.0956 28.3882 174.9031 117 N 5.0534 8.0071 120.1441 53.0241 39.5184 176.4004 118 S 3.7874 8.0543 114.8832 60.7532 62.7316 175.2436 119 A 3.9254 7.8892 123.2732 55.0498 18.3305 178.7974 120 D 4.3104 7.6575 117.2395 57.5915 40.7525 179.3090 121 V 3.0418 7.0474 118.0461 65.6402 31.2451 177.4342 122 E 3.8933 8.1545 116.9321 58.1022 29.3327 178.1287 123 A 4.2840 7.3217 119.7250 52.6064 19.4513 177.5454 124 L 4.1181 6.6553 116.6198 54.9151 42.5742 176.6095 125 S 4.4522 8.0925 113.6339 56.6349 65.2015 173.0054 126 N 4.6031 8.7962 125.3797 55.2424 38.6031 175.8075 127 G 4.1108 9.4766 112.3212 44.8649 0.0000 173.1374 128 S 4.8766 7.7600 115.8488 56.3387 65.8460 173.9043 129 V 4.3881 8.3111 122.6105 63.1911 32.1262 175.0009 130 A 4.8002 9.3343 128.0029 50.6412 23.3500 174.8340 131 T 4.9666 8.4413 115.5984 61.8474 71.8164 173.2369 132 I 4.8863 8.6129 126.9499 59.3914 40.9977 174.7979 133 V 4.6845 8.8977 127.2998 62.2422 33.2444 174.9503 134 G 4.7057 9.2537 113.1141 45.4041 0.0000 170.8981 135 Q 4.6013 8.7495 121.3818 53.8289 31.8285 174.2558 136 V 4.2908 8.1194 125.3525 62.1516 33.1152 174.8305 137 H 5.1828 8.4590 124.1406 53.3367 32.0884 173.7198 138 Q 3.8982 8.5565 120.5369 56.5630 29.1092 175.4799 139 V 4.1273 8.1404 125.3702 61.7412 32.0213 175.0618 140 Q 4.5667 7.9707 125.0528 55.1951 32.6232 174.0540 141 D 4.3571 8.5767 117.3827 55.0454 38.5753 173.4216 142 S 4.5993 7.1954 109.9148 58.6619 64.8175 175.9165 143 T 4.5810 8.5670 111.6535 61.0504 69.9482 173.9349 144 I 4.2089 7.4063 123.0567 58.6097 39.8115 173.4258 145 P 4.2740 0.0000 0.0000 62.5943 32.1767 175.4383 146 T 4.4500 7.9012 116.7872 61.7831 69.8517 174.5471 147 L 4.1103 8.2212 127.4957 54.7769 42.9605 176.4828 148 Q 4.6723 8.9589 121.2993 53.3763 32.5150 174.7991 149 N 4.2738 8.3613 115.1255 53.8394 36.1778 172.5303 150 P 4.9953 0.0000 0.0000 62.4185 33.5717 176.3284 151 K 4.8150 8.8742 120.8448 54.9003 35.7423 175.0553 152 V 4.1228 9.3862 128.7026 62.7648 32.1509 175.3954 153 V 4.3418 8.5531 122.0671 59.7744 33.0773 176.4645 154 K 4.1502 8.4133 123.3766 56.6238 32.8393 176.0232 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 39 D 8.32 4.61 0.00 2.62 2.54 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 *40 D 8.24 4.29 0.00 2.68 2.71 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 0.00 0.00 0.00 41 A 8.04 4.15 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 42 V 7.78 3.67 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 0.80 0.00 0.00 0.84 0.00 0.00 43 A 7.61 4.10 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 44 S 7.29 4.37 0.00 4.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 Q 7.50 4.03 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 47 T 8.22 4.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 48 Y 9.08 4.81 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 49 S 9.40 4.85 0.00 4.05 4.09 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 50 V 8.58 3.69 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 1.09 0.00 0.00 1.05 0.00 0.00 51 A 8.78 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.12 4.07 0.00 2.54 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 53 F 8.32 4.28 0.00 2.64 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.96 0.00 1.73 1.63 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.80 3.98 0.00 2.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 56 P 0.00 4.26 0.00 1.92 2.02 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 57 F 7.88 3.97 0.00 2.99 3.21 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 58 T 7.89 4.04 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 L 7.48 4.34 0.00 1.59 1.82 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.94 4.39 0.00 2.67 2.57 0.00 0.00 7.04 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 61 P 0.00 4.42 0.00 2.39 2.61 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 62 A 8.02 3.93 1.32 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 0.00 0.00 0.00 63 K 8.32 3.74 0.00 1.83 1.94 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.51 7.81 64 A 8.05 3.68 0.15 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 65 S 8.07 4.21 0.00 4.10 3.96 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 66 S 7.82 4.17 0.00 3.92 3.95 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 67 D 8.10 4.40 0.00 2.46 2.43 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 68 Y 8.13 4.59 0.00 3.22 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 69 L 7.12 4.04 0.00 1.79 1.63 0.91 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.06 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 71 K 8.24 4.51 0.00 2.06 1.95 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.48 7.81 72 W 8.85 5.35 0.00 3.18 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 73 V 8.88 4.72 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 0.69 0.00 0.00 0.21 0.00 0.00 74 K 8.93 4.91 0.00 1.90 1.96 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 75 V 8.73 4.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.51 0.00 0.00 76 R 8.44 5.05 0.00 1.90 1.84 0.00 3.38 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 77 G 8.61 4.05 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 0.00 0.00 0.00 78 V 8.18 4.75 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 0.95 0.00 0.00 79 I 8.54 4.16 2.02 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 1.34 0.63 1.02 0.00 0.00 80 V 8.68 4.55 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 0.67 0.00 0.00 1.04 0.00 0.00 81 D 7.59 4.75 0.00 2.78 2.49 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 82 I 8.24 5.07 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.85 0.00 0.00 83 R 8.53 4.55 0.00 2.00 1.89 0.00 3.10 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 84 R 8.74 4.64 0.00 2.01 1.77 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.00 85 K 8.51 4.52 0.00 0.79 0.99 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.34 7.81 86 S 8.69 4.54 0.00 3.76 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 87 G 8.70 4.42 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 0.00 88 I 8.31 4.16 1.88 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 1.37 1.39 0.92 0.00 0.00 89 A 9.46 3.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.99 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 91 S 7.65 4.92 0.00 3.82 4.01 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 92 Y 7.87 5.37 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.27 4.72 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 9.84 5.41 0.00 3.07 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 95 I 8.92 5.22 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 1.04 0.00 0.00 96 V 9.03 4.71 2.49 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 1.11 0.00 0.00 0.91 0.00 0.00 97 T 9.45 5.57 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 1.31 0.00 0.00 *99 R 8.19 4.42 0.00 1.94 2.13 0.00 3.19 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 100 D 8.48 4.68 0.00 2.82 2.62 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 0.00 101 E 9.06 4.02 0.00 2.00 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 0.00 102 Q 7.96 4.64 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 103 N 8.29 4.21 0.00 2.86 2.86 0.00 0.00 7.20 7.70 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 0.00 104 K 8.48 4.04 0.00 1.76 1.72 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.25 7.81 105 T 7.39 4.73 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 106 D 8.58 4.66 0.00 2.73 2.55 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 0.00 107 K 7.66 4.34 0.00 1.77 1.74 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.41 7.81 108 R 8.25 4.73 0.00 1.67 1.85 0.00 3.36 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 109 L 8.41 4.72 0.00 1.74 1.51 0.75 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.21 5.02 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 1.23 0.00 0.00 111 F 9.29 5.10 0.00 3.25 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.97 5.51 0.00 2.70 2.76 0.00 0.00 7.10 7.28 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 0.00 113 F 9.78 4.79 0.00 3.27 3.11 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 0.00 114 G 8.84 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 0.00 0.00 0.00 115 S 8.57 4.03 0.00 3.33 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 0.00 116 H 8.32 4.43 0.00 3.31 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.01 5.05 0.00 2.65 2.94 0.00 0.00 6.80 8.19 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 0.00 118 S 8.05 3.79 0.00 4.15 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.89 3.93 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 0.00 120 D 7.66 4.31 0.00 2.86 2.52 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 0.00 121 V 7.05 3.04 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 0.43 0.00 0.00 -0.22 0.00 0.00 122 E 8.15 3.89 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 123 A 7.32 4.28 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 0.00 124 L 6.66 4.12 0.00 1.60 1.51 0.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.09 4.45 0.00 3.75 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 0.00 126 N 8.80 4.60 0.00 2.78 2.75 0.00 0.00 7.36 7.99 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 0.00 127 G 9.48 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 0.00 128 S 7.76 4.88 0.00 3.90 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 0.00 129 V 8.31 4.39 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 0.76 0.00 0.00 0.94 0.00 0.00 130 A 9.33 4.80 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 0.00 131 T 8.44 4.97 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 1.24 0.00 0.00 132 I 8.61 4.89 1.21 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.59 0.62 0.00 0.00 133 V 8.90 4.68 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 1.20 0.00 0.00 0.98 0.00 0.00 134 G 9.25 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.75 4.60 0.00 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 1.76 1.40 0.00 136 V 8.12 4.29 2.38 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 1.13 0.00 0.00 0.99 0.00 0.00 137 H 8.46 5.18 0.00 2.94 3.12 0.00 5.78 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 0.00 138 Q 8.56 3.90 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 139 V 8.14 4.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 140 Q 7.97 4.57 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 141 D 8.58 4.36 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.20 4.60 0.00 3.76 3.76 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 0.00 143 T 8.57 4.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 144 I 7.41 4.21 1.75 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 1.35 0.61 0.75 0.00 0.00 145 P 0.00 4.27 0.00 1.90 1.63 0.00 3.01 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.60 0.00 146 T 7.90 4.45 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 1.14 0.00 0.00 147 L 8.22 4.11 0.00 0.90 1.31 0.26 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.96 4.67 0.00 1.40 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.21 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 149 N 8.36 4.27 0.00 2.86 3.06 0.00 0.00 6.95 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 0.00 150 P 0.00 5.00 0.00 1.43 2.03 0.00 3.40 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.54 0.00 151 K 8.87 4.82 0.00 1.84 1.66 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 152 V 9.39 4.12 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 0.79 0.00 0.00 0.86 0.00 0.00 153 V 8.55 4.34 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 0.72 0.00 0.00 0.99 0.00 0.00 154 K 8.41 4.15 0.00 1.67 1.62 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.