NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1582 8.3149 121.7949 56.6796 33.4444 171.9358 7 L 3.6440 8.4477 124.3262 52.9287 41.4329 172.4784 8 P 4.6010 0.0000 0.0000 61.2311 33.1301 173.6975 9 P 4.4325 0.0000 0.0000 64.7428 31.6366 176.8814 10 G 3.8895 9.1504 111.2551 44.7672 0.0000 172.8314 11 W 5.1450 7.6143 119.2365 56.1950 30.0967 175.7862 12 E 4.9125 9.5952 124.3329 54.3156 33.2168 174.0074 13 K 4.2148 8.8325 127.4011 56.4453 33.0362 175.9044 14 R 4.6316 8.6236 125.4371 54.4780 34.8409 173.5434 15 M 5.3223 8.1527 118.7490 53.7060 35.2224 175.1233 16 S 4.5361 9.1519 121.9301 58.7243 63.7452 174.8388 17 R 4.1528 8.7433 123.1420 56.0893 30.8103 176.7115 18 S 3.7674 8.7338 110.2759 59.3560 62.2517 172.0144 19 S 4.5459 8.1367 114.5163 59.0306 63.2890 174.2770 20 G 4.2324 8.3890 108.2023 46.5906 0.0000 173.6265 21 R 4.4168 7.9153 120.6101 55.6477 31.4457 176.0375 22 V 4.4541 8.5154 123.9145 63.2109 32.7096 174.3908 23 Y 5.1125 8.8015 124.6317 56.3772 42.1956 172.5714 24 Y 5.1688 9.4550 116.3290 56.2779 41.3495 175.0240 25 F 5.4886 9.5725 125.6980 56.4351 43.1759 172.9519 26 N 4.3912 7.6028 124.5626 51.8224 39.6772 175.0171 27 H 4.1523 8.9709 124.3858 57.9261 28.7482 176.7185 28 I 4.0686 8.0039 119.0500 62.5474 38.1918 176.7292 29 T 4.0622 7.5174 108.1261 60.8305 69.8368 175.2889 30 N 3.6635 8.0116 118.8008 53.6796 37.0303 173.5216 31 A 4.3981 7.1595 120.7124 52.1097 19.5974 177.4962 32 S 5.6889 8.5780 116.3574 57.0336 66.4105 173.4749 33 Q 4.4755 9.3766 120.5067 54.9073 31.5517 175.7392 34 W 4.6224 8.6892 120.7067 59.7021 29.5689 177.2057 35 E 4.2307 8.1964 117.7213 55.4234 29.5488 176.5550 36 R 2.5100 8.3481 123.6984 55.6591 30.3929 175.0934 37 P 3.8062 0.0000 0.0000 63.4774 31.7138 175.8108 38 S 4.4546 6.9084 112.9214 57.1853 65.9245 174.0236 39 G 3.4548 8.4356 110.1434 47.4494 0.0000 175.1300 *45 G 3.6064 7.6441 115.7632 44.5110 0.0000 171.0670 46 K 4.5969 8.3436 126.7987 53.8861 34.2075 175.2792 47 N 4.9258 8.2688 122.1226 52.4788 40.2071 174.4110 48 G 3.8964 8.9857 108.2009 46.0896 0.0000 174.2531 49 Q 3.9747 8.1294 121.9994 56.3812 29.7886 177.6188 50 G 3.8425 7.9024 105.9222 45.4842 0.0000 171.9752 51 E 4.7374 8.4077 117.6174 53.3513 32.1845 173.9032 52 P 4.4265 0.0000 0.0000 62.7525 31.8997 176.5513 53 A 4.2483 8.4797 122.4162 54.4017 18.9174 177.6547 54 R 5.0097 7.5952 114.2162 55.1972 33.3488 174.5239 55 V 4.4708 7.9720 116.4706 59.4865 36.6160 174.1000 56 R 5.1046 8.4882 122.3467 54.0588 32.6571 174.4337 57 C 5.4139 8.8269 121.8392 58.3170 32.8539 172.9739 58 S 5.5895 9.0085 117.1667 57.4918 65.9163 172.7811 59 H 5.4997 9.3236 116.2606 54.4996 32.0844 172.3558 60 L 4.5934 9.3800 121.7906 53.2199 44.6209 174.5700 61 L 4.9695 8.6898 128.7985 53.2802 44.5625 174.9205 62 V 4.6503 8.7997 126.7138 61.1881 33.4017 175.2789 63 K 4.7364 9.0423 128.2447 56.1020 33.7346 175.4483 64 H 5.0255 8.6535 116.6137 53.8883 31.7242 174.3970 65 S 4.3276 8.8285 113.3939 60.5317 62.5793 175.1812 66 Q 4.4871 8.1315 117.4022 55.4939 28.9251 175.8599 67 S 4.3774 7.6995 115.2426 58.2352 63.3900 174.7004 68 R 3.9874 8.7342 120.7380 58.6349 29.0745 176.6676 69 R 4.3966 7.5329 117.8405 53.3855 30.9594 173.4204 70 P 4.6155 0.0000 0.0000 60.9751 30.6188 176.0645 71 S 4.9268 7.2992 110.6327 58.3337 65.7550 172.2432 72 S 4.6020 8.4563 118.7935 56.9149 65.6813 175.5081 73 W 4.3139 8.7022 117.1965 58.9804 27.8900 177.4728 74 R 3.6468 6.9428 118.1134 57.9671 30.1046 177.0638 75 Q 4.4481 7.6401 114.7202 54.7430 31.7690 174.2707 76 E 3.7665 9.1437 124.0695 58.4784 29.5532 176.7252 77 K 4.5018 7.6424 119.4375 54.1709 33.8403 175.2169 78 I 3.9302 8.6424 129.3541 61.4289 37.2183 176.9563 79 T 4.5913 8.2880 114.5519 61.0749 70.3792 174.8402 80 R 4.1908 7.6991 119.8013 56.2185 30.2371 176.3311 81 T 4.4841 8.8485 111.3364 61.0075 71.1508 175.7256 82 K 3.7233 8.4305 121.8093 59.6503 32.0835 178.5614 83 E 3.9988 8.0955 118.3220 59.5486 29.4750 179.0299 84 E 4.1760 8.3340 118.3453 59.3032 29.3915 179.2579 85 A 3.9763 8.2832 121.1146 55.1059 18.4000 179.4759 86 L 3.8876 8.1617 119.1347 57.9647 42.1059 179.0114 87 E 3.9089 8.1710 117.8395 59.3466 29.4177 179.1909 88 L 3.5283 7.7441 120.0856 57.2756 41.6193 179.4274 89 I 3.7906 7.8578 119.9138 64.6633 37.0865 178.2101 90 N 4.4150 8.5554 117.6967 56.2005 38.3246 177.7205 91 G 3.4442 7.9458 107.1301 47.9378 0.0000 175.4121 92 Y 4.3858 7.7532 119.4943 60.8759 37.8140 178.5865 93 I 3.8075 8.0802 120.8854 64.5339 37.2328 178.2567 94 Q 3.9632 8.2325 120.2967 59.1209 28.9114 178.2463 95 K 4.0317 8.3171 120.7085 59.4307 32.0687 179.0108 96 I 4.3012 7.9573 121.5680 63.9444 36.9154 178.6020 97 K 4.1038 8.2220 118.5339 59.3140 31.9039 179.2995 98 S 4.3423 8.1469 114.0179 59.6942 63.1539 175.4554 99 G 4.0305 7.8841 110.0892 45.0046 0.0000 174.0603 100 E 4.1168 8.0015 120.1082 58.2773 30.0011 176.1925 101 E 4.8779 8.3246 116.9677 53.7560 33.8344 173.8896 102 D 5.2299 7.9556 118.6764 51.3134 43.0849 177.1083 103 F 3.9975 8.7518 123.1325 61.7576 39.4309 177.2930 104 E 3.9931 8.4704 117.8135 59.4343 29.2242 179.4060 105 S 4.0400 8.5904 114.3715 61.5041 62.9563 176.6054 106 L 3.9282 7.8912 122.5734 57.1464 41.3095 179.3123 107 A 3.7087 7.8261 121.0636 55.2787 18.4073 179.7797 108 S 4.1916 8.1340 113.8158 61.7212 62.5989 176.8342 109 Q 3.9541 7.3227 119.1211 57.2318 28.8422 176.6257 110 F 4.9522 7.8984 114.5552 56.6158 40.9675 175.2909 111 S 4.3963 7.9970 116.6837 58.3262 62.4968 173.7112 112 D 4.2995 9.0741 127.1368 55.4094 41.2295 176.2707 113 C 4.5495 7.8540 120.6715 58.3933 32.6852 174.3197 114 S 4.2761 8.7528 120.7109 60.9532 62.4513 176.0962 115 S 4.3207 8.0871 116.5657 59.6145 62.7927 175.4191 116 A 3.9459 8.2116 125.9858 55.3018 17.8032 179.6773 117 K 3.8273 7.6888 116.0165 58.8281 32.8039 178.1132 118 A 4.6229 7.5945 121.3356 51.3519 20.0119 176.6450 119 R 3.8663 8.2539 116.4293 57.8230 28.4144 177.9882 120 G 4.0854 8.4852 108.1410 45.1964 0.0000 174.0244 121 D 4.7510 7.6835 119.3131 53.9782 41.4687 175.7608 122 L 4.4118 8.8021 125.5040 53.8010 42.8077 177.6227 123 G 3.8419 8.6687 108.7933 44.3779 0.0000 172.2807 124 A 4.9368 8.3049 119.8133 51.6673 20.0853 176.9063 125 F 5.0202 8.8550 114.3256 56.2748 41.6153 173.0828 126 S 5.3888 8.7592 114.7013 56.2760 66.4493 174.1022 127 R 3.9497 8.2553 120.0497 58.1007 30.1033 177.6802 128 G 3.9985 9.6706 110.3176 45.3499 0.0000 173.8473 129 Q 4.2881 7.7124 118.3748 56.1003 30.0415 174.5243 130 A 4.6923 7.6191 118.2602 49.1245 22.4652 175.7632 131 Q 4.1636 8.2041 117.8759 55.6486 30.6039 177.5590 132 K 3.8775 8.8038 124.7150 59.7601 32.1901 177.4396 133 P 4.4747 0.0000 0.0000 65.2779 31.2244 178.5206 134 F 3.9416 8.2205 119.2957 61.1228 39.4718 176.6564 135 E 4.4041 8.9180 119.4296 59.6005 29.4008 178.4399 136 D 4.4356 8.7556 119.0563 57.3558 41.0413 178.6813 137 A 3.9181 7.9900 121.1114 55.3028 18.1719 179.7762 138 S 3.8968 7.8435 112.3394 61.7848 63.0544 176.6434 139 F 4.0804 8.3106 117.5943 58.8719 38.8953 176.6936 140 A 4.4019 7.4010 119.4097 51.8931 19.6213 177.4884 141 L 4.1119 7.0928 117.2759 54.5986 42.4815 177.1541 142 R 4.4277 9.2074 121.6618 54.7635 31.5818 176.2859 143 T 3.8834 8.1751 116.4155 65.6041 68.5858 175.0991 144 G 3.9251 9.1935 115.6088 45.0090 0.0000 173.2089 145 E 4.4377 8.1051 119.6748 55.8567 31.2927 175.0144 146 M 5.0800 8.3368 121.7831 53.6291 34.5756 175.6368 147 S 4.2949 9.0663 121.1095 58.1761 64.5332 174.2744 148 G 4.3690 7.8885 107.3304 44.4520 0.0000 170.9809 149 P 4.5801 0.0000 0.0000 62.7635 32.0784 176.2117 150 V 4.4705 8.7027 125.1788 61.1084 33.9663 174.0794 151 F 5.3011 9.2035 127.0326 56.5478 40.5358 175.2142 152 T 4.8814 8.9206 112.9151 59.7720 72.0478 174.2656 153 D 4.5646 8.7189 119.5779 57.0706 40.8927 179.3579 154 S 4.2253 8.1429 115.3610 59.4562 63.9537 175.0840 155 G 3.8161 6.4504 108.5464 45.4866 0.0000 171.1200 156 I 4.7122 8.0688 123.8077 59.7029 40.2606 174.6732 157 H 5.5056 9.3736 123.5520 54.1256 32.2552 172.9312 158 I 4.7808 8.8557 122.7153 59.7266 39.7680 174.6095 159 I 4.9744 8.7710 127.5635 59.3020 40.2741 174.1718 160 L 4.7721 8.7027 129.0239 53.0230 44.5012 174.9888 161 R 4.5784 8.7610 128.3015 56.1592 30.5075 176.5360 162 T 4.5198 8.8777 117.0265 62.2540 70.9920 174.7071 163 E 4.1698 7.7000 126.2132 56.5620 30.7264 174.7357 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 6 K 8.31 4.16 0.00 1.75 1.85 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 7 L 8.45 3.64 0.00 2.06 1.83 1.19 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.60 0.00 2.51 2.09 0.00 3.52 0.00 0.00 3.67 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 9 P 0.00 4.43 0.00 2.07 2.04 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 10 G 9.15 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 11 W 7.61 5.14 0.00 3.39 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.60 4.91 0.00 2.16 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 2.26 2.33 0.00 13 K 8.83 4.21 0.00 1.85 1.66 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.10 0.80 7.81 14 R 8.62 4.63 0.00 0.67 1.37 0.00 3.20 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 15 M 8.15 5.32 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 16 S 9.15 4.54 0.00 3.94 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 17 R 8.74 4.15 0.00 1.89 1.86 0.00 3.27 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 18 S 8.73 3.77 0.00 3.96 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 19 S 8.14 4.55 0.00 3.80 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 20 G 8.39 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 0.00 0.00 0.00 0.00 21 R 7.92 4.42 0.00 2.14 2.12 0.00 3.19 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 22 V 8.52 4.45 2.14 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 0.69 0.00 0.00 0.94 0.00 0.00 23 Y 8.80 5.11 0.00 3.13 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 24 Y 9.46 5.17 0.00 3.05 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 25 F 9.57 5.49 0.00 3.03 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 N 7.60 4.39 0.00 1.44 1.54 0.00 0.00 7.05 7.44 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 27 H 8.97 4.15 0.00 2.98 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.00 4.07 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.43 0.89 0.00 0.00 29 T 7.52 4.06 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 1.10 0.00 0.00 30 N 8.01 3.66 0.00 3.02 3.06 0.00 0.00 6.74 8.88 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 31 A 7.16 4.40 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 0.00 0.00 0.00 0.00 0.00 32 S 8.58 5.69 0.00 3.70 3.72 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 33 Q 9.38 4.48 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 34 W 8.69 4.62 0.00 3.39 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 35 E 8.20 4.23 0.00 1.93 1.82 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 2.34 2.43 0.00 36 R 8.35 2.51 0.00 1.51 1.49 0.00 3.09 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.00 37 P 0.00 3.81 0.00 0.76 0.49 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.03 0.00 38 S 6.91 4.45 0.00 3.87 3.65 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 39 G 8.44 3.45 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 0.00 0.00 0.00 *45 G 7.64 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 46 K 8.34 4.60 0.00 1.70 1.68 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 47 N 8.27 4.93 0.00 2.80 2.71 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.99 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 49 Q 8.13 3.97 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 50 G 7.90 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 51 E 8.41 4.74 0.00 2.19 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 2.18 2.32 0.00 52 P 0.00 4.43 0.00 2.38 2.09 0.00 3.90 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 1.93 1.93 0.00 53 A 8.48 4.25 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 54 R 7.60 5.01 0.00 1.80 1.73 0.00 3.20 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.00 55 V 7.97 4.47 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.40 0.00 0.00 56 R 8.49 5.10 0.00 1.82 1.70 0.00 3.15 0.00 0.00 3.27 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 57 C 8.83 5.41 0.00 3.21 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 58 S 9.01 5.59 0.00 3.80 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 59 H 9.32 5.50 0.00 3.59 3.55 0.00 5.50 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.38 4.59 0.00 1.34 1.51 0.44 0.36 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 61 L 8.69 4.97 0.00 1.67 1.41 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.80 4.65 2.09 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 0.93 0.00 0.00 1.09 0.00 0.00 63 K 9.04 4.74 0.00 1.72 1.65 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.32 7.81 64 H 8.65 5.03 0.00 3.38 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.83 4.33 0.00 4.00 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 0.00 66 Q 8.13 4.49 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 67 S 7.70 4.38 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.73 3.99 0.00 1.89 2.09 0.00 3.00 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 69 R 7.53 4.40 0.00 1.73 1.83 0.00 3.24 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 1.48 1.57 0.00 70 P 0.00 4.62 0.00 2.25 2.34 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 71 S 7.30 4.93 0.00 3.84 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 72 S 8.46 4.60 0.00 4.07 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 73 W 8.70 4.31 0.00 3.53 3.24 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 74 R 6.94 3.65 0.00 1.40 1.51 0.00 2.70 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.64 4.45 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.70 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 76 E 9.14 3.77 0.00 1.94 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 2.29 2.33 0.00 77 K 7.64 4.50 0.00 1.66 1.64 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.47 7.81 78 I 8.64 3.93 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.89 0.00 0.00 79 T 8.29 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 1.20 0.00 0.00 80 R 7.70 4.19 0.00 2.10 2.09 0.00 3.13 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 81 T 8.85 4.48 4.38 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 1.21 0.00 0.00 82 K 8.43 3.72 0.00 1.61 1.79 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.38 7.81 83 E 8.10 4.00 0.00 2.09 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 2.39 2.46 0.00 84 E 8.33 4.18 0.00 2.15 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 2.30 2.31 0.00 85 A 8.28 3.98 1.47 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 0.00 0.00 0.00 86 L 8.16 3.89 0.00 1.91 1.90 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.17 3.91 0.00 2.19 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 0.00 2.26 2.24 0.00 88 L 7.74 3.53 0.00 1.78 1.42 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.86 3.79 1.97 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 1.66 0.78 0.91 0.00 0.00 90 N 8.56 4.41 0.00 2.81 2.83 0.00 0.00 6.96 7.13 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 91 G 7.95 3.44 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 0.00 92 Y 7.75 4.39 0.00 3.15 2.93 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 93 I 8.08 3.81 2.05 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 1.50 0.90 0.95 0.00 0.00 94 Q 8.23 3.96 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 95 K 8.32 4.03 0.00 2.15 1.90 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 96 I 7.96 4.30 2.12 0.00 0.00 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 1.67 2.34 1.04 0.00 0.00 97 K 8.22 4.10 0.00 1.77 1.93 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.66 7.81 98 S 8.15 4.34 0.00 4.07 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 99 G 7.88 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 0.00 100 E 8.00 4.12 0.00 2.00 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 2.36 2.31 0.00 101 E 8.32 4.88 0.00 2.09 1.84 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 2.29 2.46 0.00 102 D 7.96 5.23 0.00 2.96 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 0.00 103 F 8.75 4.00 0.00 3.16 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 0.00 104 E 8.47 3.99 0.00 2.31 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 2.49 2.60 0.00 105 S 8.59 4.04 0.00 4.01 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 0.00 106 L 7.89 3.93 0.00 1.61 1.45 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.83 3.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.19 0.00 3.88 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 0.00 109 Q 7.32 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 110 F 7.90 4.95 0.00 2.70 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 0.00 111 S 8.00 4.40 0.00 3.82 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 0.00 112 D 9.07 4.30 0.00 2.73 2.61 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 0.00 113 C 7.85 4.55 0.00 3.00 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 0.00 114 S 8.75 4.28 0.00 4.06 4.17 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 0.00 115 S 8.09 4.32 0.00 4.28 4.19 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 0.00 116 A 8.21 3.95 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 0.00 117 K 7.69 3.83 0.00 1.76 1.66 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.35 7.81 118 A 7.59 4.62 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 0.00 119 R 8.25 3.87 0.00 2.01 2.02 0.00 3.09 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 120 G 8.49 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 0.00 0.00 0.00 121 D 7.68 4.75 0.00 2.71 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 0.00 122 L 8.80 4.41 0.00 1.86 1.61 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.67 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 0.00 124 A 8.30 4.94 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 0.00 125 F 8.86 5.02 0.00 3.13 3.12 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 0.00 126 S 8.76 5.39 0.00 3.87 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 0.00 127 R 8.26 3.95 0.00 1.56 1.72 0.00 2.88 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 128 G 9.67 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 0.00 0.00 0.00 129 Q 7.71 4.29 0.00 2.12 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.21 0.00 130 A 7.62 4.69 1.06 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 0.00 0.00 131 Q 8.20 4.16 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 132 K 8.80 3.88 0.00 1.90 1.88 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.76 7.81 133 P 0.00 4.47 0.00 2.40 2.18 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 134 F 8.22 3.94 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.92 4.40 0.00 2.33 2.35 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 2.45 2.68 0.00 136 D 8.76 4.44 0.00 2.79 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 0.00 137 A 7.99 3.92 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 0.00 138 S 7.84 3.90 0.00 4.04 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 0.00 139 F 8.31 4.08 0.00 3.01 3.24 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 0.00 140 A 7.40 4.40 1.27 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 0.00 0.00 0.00 141 L 7.09 4.11 0.00 1.74 1.53 0.82 0.59 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 0.00 142 R 9.21 4.43 0.00 1.97 1.84 0.00 3.15 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 143 T 8.18 3.88 4.21 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 1.20 0.00 0.00 144 G 9.19 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 0.00 0.00 0.00 145 E 8.11 4.44 0.00 2.07 1.90 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 2.34 2.27 0.00 146 M 8.34 5.08 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 147 S 9.07 4.29 0.00 3.96 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 0.00 148 G 7.89 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 0.00 149 P 0.00 4.58 0.00 2.03 1.89 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 150 V 8.70 4.47 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 1.01 0.00 0.00 0.94 0.00 0.00 151 F 9.20 5.30 0.00 2.96 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 0.00 152 T 8.92 4.88 4.52 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 1.37 0.00 0.00 153 D 8.72 4.56 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.14 4.23 0.00 3.96 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 0.00 155 G 6.45 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 0.00 0.00 0.00 156 I 8.07 4.71 1.70 0.00 0.00 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 0.57 0.59 0.32 0.00 0.00 157 H 9.37 5.51 0.00 3.15 3.39 0.00 5.77 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 0.00 158 I 8.86 4.78 2.14 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 1.33 0.87 1.14 0.00 0.00 159 I 8.77 4.97 1.66 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.61 0.65 0.00 0.00 160 L 8.70 4.77 0.00 0.53 0.68 0.68 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.76 4.58 0.00 1.79 1.83 0.00 3.06 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 162 T 8.88 4.52 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 1.16 0.00 0.00 163 E 7.70 4.17 0.00 1.93 1.75 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 2.26 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.