NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.2020 8.3444 118.8371 55.8816 30.4871 174.8243 *10 R 3.5323 8.2203 114.5720 54.1862 31.8125 173.2173 11 P 4.3271 0.0000 0.0000 63.3136 32.2506 176.0973 12 E 4.4206 8.5792 117.4069 54.3073 31.2814 173.2334 13 L 4.4631 8.2859 124.5756 53.8721 41.6098 176.9359 14 T 4.1223 8.1275 118.0835 59.9839 67.7241 172.7970 *16 P 4.2122 0.0000 0.0000 61.7031 34.1320 174.8659 17 P 4.2128 0.0000 0.0000 66.0631 31.2717 178.8639 18 A 3.9809 7.9041 118.6097 55.2477 18.4205 179.3345 19 E 3.9003 8.1421 116.4064 59.6016 29.6113 179.3793 20 A 4.0078 8.1465 120.8581 54.8613 18.1683 179.2834 21 E 3.9210 8.0795 117.2306 59.0624 29.7478 178.5183 22 A 4.1080 7.5270 119.9438 54.9062 18.6565 179.0527 23 L 3.9378 7.8010 118.8597 58.1214 42.0132 179.9272 24 R 4.0634 7.6532 114.0352 57.0301 29.8164 178.2148 *26 A 4.3383 7.9306 124.1060 52.5916 20.4512 179.6143 27 Y 4.3647 8.3514 112.6515 61.1914 38.2080 177.5484 28 E 4.1485 8.6850 121.6189 60.0391 29.6699 178.9835 29 E 4.1062 8.2037 113.1760 58.1242 30.1975 178.9853 30 A 4.4286 7.6717 119.6769 52.1206 19.6090 176.2956 31 E 4.4354 8.9271 120.1748 56.6982 32.4083 175.7273 32 V 4.7105 8.3352 120.0261 60.9346 34.2502 174.5278 33 I 4.7683 8.6230 128.8035 59.2411 40.1734 174.1217 34 L 4.8977 8.5306 128.6980 53.1239 44.6368 174.7458 35 E 5.1171 9.3052 125.4360 54.7569 33.3303 174.5340 36 Y 4.7052 9.5158 122.0654 58.7524 39.7639 175.8342 37 G 4.4262 9.7882 113.4662 46.0344 0.0000 172.2704 38 S 5.0994 9.3403 117.9248 55.7933 66.5311 175.7178 39 G 4.5627 8.2094 111.5157 45.4171 0.0000 175.8444 40 G 3.9787 8.7993 111.2827 47.1327 0.0000 174.8221 41 S 4.2308 8.1372 115.9141 61.6352 63.0358 176.5767 42 T 4.2798 8.0821 119.2768 66.1488 68.1880 177.0352 43 V 3.7425 7.6062 120.1144 65.6585 31.4081 178.0296 44 V 3.6359 7.5970 116.6834 66.0272 31.7116 177.6073 45 A 4.2655 8.2570 119.8496 55.1848 18.1673 179.5172 46 A 4.0548 8.2501 119.2374 55.0013 18.2475 179.0835 47 E 4.1880 8.1386 115.2249 56.7408 30.1568 176.6437 48 L 4.6245 7.1588 119.8704 52.3989 43.1995 174.7466 49 P 4.5296 0.0000 0.0000 63.4763 32.3194 175.8342 50 G 3.8688 8.4397 106.8363 46.3850 0.0000 173.5268 51 K 4.7751 8.1335 118.6483 54.6103 35.1704 175.0762 52 H 5.0071 8.9223 123.0527 54.5543 32.1540 172.8383 53 V 4.6950 8.4823 126.4670 61.2826 34.2465 174.2374 54 T 4.9376 8.4239 124.0018 61.7886 71.9794 173.1488 55 S 4.8723 8.8419 121.8079 56.5471 66.4899 173.4375 56 V 4.1737 8.5706 126.8153 62.4397 32.6742 174.5424 57 E 5.2842 9.0986 128.3882 54.8248 32.5100 176.1417 58 S 5.0765 9.5101 120.0250 59.0456 64.3584 173.9310 59 D 4.9479 8.8733 122.8255 52.1208 41.6521 176.5748 60 R 3.2199 8.4999 127.9733 59.1710 29.8431 178.0717 61 A 3.9786 7.9395 119.3129 54.5528 18.5256 178.9774 62 W 4.3048 8.4408 126.2161 60.4303 30.9375 177.6883 63 A 4.2027 8.4022 120.2055 54.6998 19.4182 179.4168 64 R 4.0449 7.6807 118.1451 56.4617 26.2751 176.5684 *67 K 4.2112 7.8632 121.4673 56.0157 34.9013 178.4975 68 A 3.9946 8.0198 120.5907 54.7721 18.2168 179.5221 69 W 3.9435 8.0693 126.5173 60.5773 30.7508 178.1155 70 L 4.0691 8.0572 118.1904 57.3661 40.9199 179.0529 71 A 3.9485 7.6445 119.9900 54.5722 18.4177 178.8827 72 A 4.2286 7.3207 117.4308 52.8910 20.2681 177.5902 73 N 4.5651 7.1803 113.7147 50.4328 39.1189 172.4118 74 P 4.7039 0.0000 0.0000 60.8918 32.5536 174.8808 75 P 4.6441 0.0000 0.0000 62.5089 32.2857 175.8425 76 A 4.2056 9.0341 126.9102 52.5669 20.1426 177.4064 77 E 4.0417 8.6376 116.8831 58.1764 30.1797 177.7064 78 G 3.8936 9.2506 112.5786 44.6366 0.0000 172.0783 79 T 4.9922 7.5738 116.0846 61.5463 70.5899 173.5483 80 E 4.6839 9.0642 126.7188 54.2460 32.8258 174.5720 81 V 4.6808 8.3553 125.4700 61.1625 34.3806 174.0221 82 N 4.8763 9.3501 125.9331 51.5900 40.8567 173.8706 83 I 4.4464 8.3736 125.7732 60.3945 38.4530 176.0672 84 V 4.2047 8.7039 129.3119 60.5519 32.4097 174.1984 85 W 5.0046 8.8202 135.0000 57.7165 31.1618 175.0449 86 T 4.0501 8.8518 124.1481 61.3039 70.8105 173.1605 87 D 4.2155 7.8267 127.3729 53.9263 41.1364 175.4612 88 I 4.5912 8.7164 119.9586 60.4367 38.1544 175.8759 89 G 4.0435 8.8540 108.4173 44.4098 0.0000 171.8644 90 P 4.4253 0.0000 0.0000 63.0520 31.6862 176.0131 91 T 5.2912 8.5402 111.2185 59.9046 72.8176 174.2114 92 G 4.2868 8.5389 112.1920 45.1455 0.0000 174.5470 93 D 4.0536 8.6946 125.4809 55.0696 40.9709 176.3385 94 W 3.3524 8.8018 122.0654 57.6852 26.4767 175.0142 95 G 3.9779 7.9889 104.7700 46.0961 0.0000 173.8089 96 H 4.2117 8.1495 120.7383 54.5248 30.4053 173.2040 97 P 4.8580 0.0000 0.0000 62.6901 31.8687 176.7236 98 V 3.7885 8.7074 121.7176 65.5829 31.6903 175.4733 99 S 4.6881 7.6924 111.2273 57.7119 65.8686 173.2646 100 D 5.5247 8.9100 118.1581 53.7378 41.0060 178.1317 101 A 4.1111 7.8205 124.8272 55.1680 18.3676 180.1761 102 K 4.4672 7.8781 113.8311 55.6162 33.0208 178.3189 103 W 2.5400 7.8495 120.3207 59.6090 27.3055 177.5865 104 R 3.4482 6.5877 116.8454 58.0914 29.6742 177.8925 105 S 4.4880 7.9241 114.0170 59.0126 63.3333 175.5290 106 Y 4.3655 7.7027 120.7562 60.8772 37.7115 176.6570 107 P 4.3816 0.0000 0.0000 64.5520 31.3612 178.1176 108 D 4.3997 8.2588 118.7283 57.2103 40.3905 178.0044 109 Y 3.9298 7.6500 119.7074 60.2578 38.9958 176.0298 110 P 4.5300 0.0000 0.0000 65.1440 32.0571 177.2891 111 L 4.7074 8.0311 117.6321 56.0006 42.5781 178.5968 112 A 4.1026 8.3042 121.5037 54.8985 18.3095 179.9496 113 V 3.5269 7.8018 117.1402 64.2987 31.2303 177.7822 114 W 4.4228 7.9933 117.4604 57.6598 29.1426 176.7910 115 R 4.4628 7.6219 116.7986 55.6622 30.6415 175.8618 116 T 3.8614 7.7405 116.6224 62.2976 67.7954 173.9804 117 E 4.1591 8.7791 124.5602 57.6694 29.9275 174.8457 118 G 3.9153 8.8847 112.1733 45.0987 0.0000 173.1971 119 F 4.0665 7.9190 120.8910 58.4879 39.7374 174.7944 120 R 4.1683 7.0936 124.7462 53.8878 33.1747 174.6845 121 H 3.8163 8.4554 123.0380 55.3279 30.3536 173.2209 122 P 4.4365 0.0000 0.0000 62.9473 32.3973 175.4237 123 D 4.9325 8.9593 119.3770 55.3465 42.9649 177.0218 124 V 5.0296 7.5872 116.2588 59.8749 35.5224 174.8400 125 V 4.9667 9.0265 122.1814 61.2687 34.8986 173.5747 126 L 5.0577 9.1392 130.6118 53.5959 44.3065 175.1314 127 V 4.6295 9.2947 127.6334 61.2011 32.4928 175.2130 128 D 5.1244 8.9909 130.3170 52.7616 41.7355 175.5129 129 G 4.3191 8.4230 110.4381 45.1035 0.0000 175.1360 130 R 4.2192 9.0295 125.8877 54.3113 32.2968 175.2765 131 F 4.3648 7.4261 114.0627 57.4766 36.8529 178.1831 132 R 3.7553 7.9722 121.1232 59.4509 30.3713 178.7802 133 V 3.8659 8.1666 117.6919 66.0915 31.4725 178.1400 134 G 3.6797 8.1642 104.9892 47.9578 0.0000 175.4075 135 C 3.9375 8.2333 118.8833 62.2575 27.9940 175.9958 136 A 3.9424 7.9450 122.4219 55.1992 18.0044 179.7554 137 L 3.5082 7.9552 117.2448 57.4566 41.3281 179.3233 138 A 3.9279 8.4650 121.1228 55.4597 18.2840 179.8650 139 T 3.3190 7.8853 113.6975 66.6916 68.2896 176.7269 140 A 3.7894 7.6079 122.4979 54.8013 18.0712 178.9534 141 F 4.6968 7.3918 113.5991 58.6141 39.4443 177.2974 142 S 4.3169 6.7792 113.5254 58.1585 64.2629 174.8608 143 I 4.0138 6.6484 114.3809 61.2349 37.6992 175.8765 144 T 4.6076 8.8756 110.3107 61.4072 69.9673 173.4091 145 R 4.8038 7.6464 117.1511 53.9769 32.8140 173.0212 146 P 4.7739 0.0000 0.0000 62.9912 32.2036 176.0826 147 V 4.7962 8.5687 114.7874 60.0347 36.6494 174.4141 148 T 4.9732 8.4211 118.2413 62.4891 70.3446 173.8259 149 L 5.2866 9.1794 128.4768 53.2908 45.1250 174.7089 150 L 5.2470 9.4652 126.5434 53.1298 44.2463 175.1829 151 F 5.2354 9.4522 126.9517 56.1660 41.4008 173.4690 152 D 4.6910 8.8490 126.0749 54.4204 41.8908 175.3183 153 D 4.3875 8.5773 122.4867 55.3733 39.8019 173.1626 154 Y 4.3774 8.3394 120.3357 56.6378 39.7546 173.9436 155 S 4.7497 9.1576 124.7294 56.9184 65.4362 175.4721 156 Q 4.0931 8.4066 118.7247 55.2849 27.9762 176.8110 157 R 3.9254 7.3346 115.3324 57.3091 29.9073 177.4273 158 R 3.8691 8.7708 120.0387 59.5759 30.6707 177.8013 159 W 4.4058 8.3652 126.7434 60.6101 31.0087 177.9943 160 Q 4.0826 8.1819 119.2632 59.2818 28.2821 178.1953 *161 H 4.7963 8.5435 120.9685 57.8678 27.6619 180.9631 162 Q 4.3046 7.5284 117.1732 59.4481 28.2147 178.6837 163 V 3.4865 7.6043 114.5171 63.8670 31.5853 177.8468 164 E 4.4501 8.1076 119.5327 58.1441 29.0373 178.5972 165 E 3.7540 7.4394 118.7829 58.1559 29.5886 177.6532 166 F 4.8983 7.7724 115.3470 57.5147 41.0421 176.0444 167 L 4.2239 8.1285 116.5934 53.7346 42.6269 177.5817 168 G 3.8281 7.8497 107.8839 44.1956 0.0000 172.1315 169 A 4.2823 8.3686 121.6109 51.3387 19.0080 175.8024 170 P 4.1601 0.0000 0.0000 61.9310 33.2894 175.8396 171 L 4.1728 7.8717 122.7595 54.2215 45.4259 175.1698 *173 I 4.1120 8.3063 118.1550 60.9571 38.3345 178.0593 174 G 3.7599 8.7010 119.8211 46.8189 0.0000 172.8720 175 R 4.3484 9.1929 122.9974 55.5035 29.7218 174.6601 176 L 5.0387 7.9307 121.7745 53.8530 43.4669 175.2753 177 A 4.5292 8.9511 128.4836 50.5408 20.7542 175.3581 178 A 5.0879 8.7842 125.4369 50.2893 21.2727 175.5803 179 F 5.0190 9.5590 121.7499 55.7161 42.6230 174.7775 180 Q 4.8297 8.8384 123.9070 54.9535 29.7269 174.4009 181 V 4.3497 8.8804 128.1502 61.4389 33.3489 174.3562 182 E 5.0146 8.5916 126.7751 53.7729 31.7205 174.2048 183 P 4.5828 0.0000 0.0000 63.2616 32.1704 175.4778 184 Q 4.5809 7.8116 118.8182 54.8405 31.4434 172.2005 185 P 4.4860 0.0000 0.0000 62.3679 32.3188 175.7439 186 I 3.2598 7.7635 120.4774 59.3677 37.7456 174.1813 187 P 4.4495 0.0000 0.0000 61.3680 31.9359 175.8779 188 P 4.2720 0.0000 0.0000 65.2539 31.6069 178.4856 189 G 3.6866 8.0819 106.7579 47.5374 0.0000 174.0492 190 S 4.9713 7.7428 114.9213 57.6374 63.2445 176.2159 191 L 4.2673 7.5165 119.9736 55.3221 40.8294 179.2065 *193 Q 4.2945 8.2168 119.9348 56.0437 31.0882 177.5426 194 L 3.9985 8.2336 119.3332 58.3534 41.8741 179.1396 195 I 3.8008 7.8202 118.6375 64.3756 37.2005 178.0647 196 R 4.2456 7.7866 119.2627 59.2616 29.8374 177.7460 197 T 5.0700 7.6694 109.0573 62.2978 69.6454 175.3428 *199 T 4.6018 7.7086 109.1585 62.4137 70.8042 173.3865 200 S 4.6238 7.9652 119.0556 56.4079 63.3805 172.6405 201 P 2.9700 0.0000 0.0000 61.8636 30.8414 176.7846 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 8 Q 8.34 4.20 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 *10 R 8.22 3.53 0.00 2.03 1.96 0.00 3.50 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 11 P 0.00 4.33 0.00 2.03 2.01 0.00 2.20 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 12 E 8.58 4.42 0.00 1.91 1.85 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 2.25 1.85 0.00 13 L 8.29 4.46 0.00 1.58 1.64 0.93 0.92 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 14 T 8.13 4.12 4.28 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 1.34 0.00 0.00 *16 P 0.00 4.21 0.00 2.46 2.06 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 17 P 0.00 4.21 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 18 A 7.90 3.98 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 19 E 8.14 3.90 0.00 2.22 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 2.41 2.63 0.00 20 A 8.15 4.01 1.36 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 0.00 0.00 0.00 21 E 8.08 3.92 0.00 2.32 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 0.00 2.32 2.19 0.00 22 A 7.53 4.11 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 23 L 7.80 3.94 0.00 1.63 1.67 0.44 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.65 4.06 0.00 2.05 1.92 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 *26 A 7.93 4.34 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 27 Y 8.35 4.36 0.00 3.08 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 28 E 8.69 4.15 0.00 2.00 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 2.40 2.59 0.00 29 E 8.20 4.11 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 30 A 7.67 4.43 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 31 E 8.93 4.44 0.00 2.02 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 2.24 2.39 0.00 32 V 8.34 4.71 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 0.82 0.00 0.00 33 I 8.62 4.77 1.51 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.45 0.25 0.00 0.00 34 L 8.53 4.90 0.00 1.41 1.27 0.42 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.31 5.12 0.00 1.85 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 2.34 2.20 0.00 36 Y 9.52 4.71 0.00 2.91 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 37 G 9.79 4.43 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 0.00 38 S 9.34 5.10 0.00 4.10 3.99 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 39 G 8.21 4.56 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 0.00 0.00 0.00 40 G 8.80 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 0.00 0.00 0.00 41 S 8.14 4.23 0.00 4.19 4.18 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 42 T 8.08 4.28 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 1.25 0.00 0.00 43 V 7.61 3.74 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 1.09 0.00 0.00 0.41 0.00 0.00 44 V 7.60 3.64 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 0.92 0.00 0.00 0.98 0.00 0.00 45 A 8.26 4.27 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 46 A 8.25 4.05 1.52 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 47 E 8.14 4.19 0.00 2.21 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 0.00 2.44 2.62 0.00 48 L 7.16 4.62 0.00 1.82 1.62 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.53 0.00 2.18 2.03 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 50 G 8.44 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 0.00 0.00 0.00 51 K 8.13 4.78 0.00 1.60 1.62 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.95 0.00 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0.00 0.00 0.00 0.00 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 G 8.42 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 0.00 0.00 0.00 0.00 130 R 9.03 4.22 0.00 1.08 1.09 0.00 3.40 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 131 F 7.43 4.36 0.00 3.08 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 0.00 132 R 7.97 3.76 0.00 1.97 1.49 0.00 3.24 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 1.63 1.72 0.00 133 V 8.17 3.87 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 0.76 0.00 0.00 0.78 0.00 0.00 134 G 8.16 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 0.00 135 C 8.23 3.94 0.00 2.69 1.66 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 0.00 136 A 7.95 3.94 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 0.00 137 L 7.96 3.51 0.00 1.65 1.58 0.92 0.42 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 0.00 138 A 8.47 3.93 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 0.00 139 T 7.89 3.32 4.43 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 1.39 0.00 0.00 140 A 7.61 3.79 0.75 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 0.00 0.00 141 F 7.39 4.70 0.00 2.85 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 0.00 142 S 6.78 4.32 0.00 2.72 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 0.00 143 I 6.65 4.01 2.24 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 1.56 0.52 1.05 0.00 0.00 144 T 8.88 4.61 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 1.27 0.00 0.00 145 R 7.65 4.80 0.00 1.76 1.87 0.00 2.99 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 146 P 0.00 4.77 0.00 2.00 2.14 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 147 V 8.57 4.80 2.31 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 1.08 0.00 0.00 1.07 0.00 0.00 148 T 8.42 4.97 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 1.30 0.00 0.00 149 L 9.18 5.29 0.00 1.78 1.64 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 L 9.47 5.25 0.00 1.70 1.65 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 151 F 9.45 5.24 0.00 3.23 2.84 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 0.00 152 D 8.85 4.69 0.00 2.80 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 0.00 153 D 8.58 4.39 0.00 2.85 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 0.00 154 Y 8.34 4.38 0.00 3.06 2.74 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 0.00 155 S 9.16 4.75 0.00 3.83 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 0.00 156 Q 8.41 4.09 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 157 R 7.33 3.93 0.00 1.91 2.07 0.00 2.77 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 158 R 8.77 3.87 0.00 1.90 2.16 0.00 3.25 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 159 W 8.37 4.41 0.00 3.35 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 0.00 160 Q 8.18 4.08 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.71 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 *161 H 8.54 4.80 0.00 2.91 3.07 0.00 7.20 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 0.00 162 Q 7.53 4.30 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 163 V 7.60 3.49 1.93 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 0.86 0.00 0.00 0.97 0.00 0.00 164 E 8.11 4.45 0.00 2.07 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 2.70 2.50 0.00 165 E 7.44 3.75 0.00 1.57 1.13 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 1.47 1.94 0.00 166 F 7.77 4.90 0.00 2.85 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 0.00 167 L 8.13 4.22 0.00 1.24 1.11 0.77 0.44 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 0.00 168 G 7.85 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.37 4.28 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 0.00 170 P 0.00 4.16 0.00 1.35 0.49 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 171 L 7.87 4.17 0.00 1.69 1.49 0.88 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 *173 I 8.31 4.11 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.27 0.90 0.00 0.00 174 G 8.70 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 0.00 0.00 0.00 175 R 9.19 4.35 0.00 1.98 2.17 0.00 2.92 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 176 L 7.93 5.04 0.00 1.68 1.83 1.04 0.86 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 0.00 177 A 8.95 4.53 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 5.09 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 0.00 179 F 9.56 5.02 0.00 2.87 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 0.00 180 Q 8.84 4.83 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 181 V 8.88 4.35 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 0.84 0.00 0.00 0.95 0.00 0.00 182 E 8.59 5.01 0.00 1.89 1.85 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 2.25 2.28 0.00 183 P 0.00 4.58 0.00 1.96 2.20 0.00 3.74 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 2.06 2.19 0.00 184 Q 7.81 4.58 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 185 P 0.00 4.49 0.00 2.19 2.09 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 186 I 7.76 3.26 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.13 0.33 0.00 0.00 187 P 0.00 4.45 0.00 2.23 2.03 0.00 3.29 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 188 P 0.00 4.27 0.00 2.19 2.26 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 189 G 8.08 3.69 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 0.00 0.00 0.00 190 S 7.74 4.97 0.00 4.06 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 0.00 191 L 7.52 4.27 0.00 1.70 1.65 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 *193 Q 8.22 4.29 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 194 L 8.23 4.00 0.00 1.84 1.82 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 195 I 7.82 3.80 1.92 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 1.44 0.88 0.99 0.00 0.00 196 R 7.79 4.25 0.00 2.19 2.26 0.00 3.22 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 1.83 1.94 0.00 197 T 7.67 5.07 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 1.04 0.00 0.00 *199 T 7.71 4.60 4.61 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 1.48 0.00 0.00 200 S 7.97 4.62 0.00 4.27 3.71 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 0.00 201 P 0.00 2.97 0.00 1.30 0.76 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.