NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0717 8.2548 109.1371 45.2098 0.0000 173.3291 *2 K 4.4164 8.3679 121.3565 56.6214 33.9339 175.0017 3 I 5.0217 9.4745 127.4453 59.5505 39.4234 174.6668 4 A 5.3921 9.1078 129.7545 50.3771 21.4993 175.0541 5 L 5.1994 9.0684 124.2234 53.5010 44.8468 175.2995 6 I 5.2245 8.9531 126.2544 59.7358 41.0981 174.2480 7 I 4.9609 8.4962 127.7550 59.4404 40.2579 175.7205 8 E 4.4582 8.6908 124.8254 54.6244 31.6931 176.7314 9 N 4.3614 8.9065 116.1900 55.9330 37.2779 177.5903 10 S 4.2104 7.8128 112.9130 60.3575 63.2649 174.8264 11 Q 4.5198 8.1116 117.5694 55.1204 30.0861 176.6664 12 A 4.0492 7.8379 123.9332 55.3502 18.3693 180.3174 13 A 4.1328 7.9651 116.8465 54.2817 18.7518 177.9979 14 K 4.4113 8.1967 114.7416 56.1857 33.0303 177.7971 15 N 4.1740 7.9764 118.7978 56.5687 38.7191 176.6031 16 A 4.0574 7.9157 121.7598 55.0806 18.5955 179.6390 17 V 3.5898 7.7193 116.2971 66.1013 31.7701 178.2786 18 V 3.6708 7.9201 118.0286 66.4293 31.4102 177.4141 19 H 4.2373 8.7509 118.3731 59.3098 29.6402 176.8066 20 E 3.9319 8.4779 121.0068 59.0397 29.2094 178.5451 21 A 4.1476 8.2219 120.9953 54.9678 18.3280 179.4654 22 L 3.8669 8.2192 119.2763 58.4688 42.2095 179.2788 23 T 3.8577 7.8923 109.8406 64.9405 68.5811 176.6765 24 T 3.8502 7.7018 117.7898 66.2059 68.4751 176.0058 25 V 3.9956 7.5861 117.9341 65.4320 32.0083 177.9552 26 A 4.1813 8.3006 120.7545 54.8986 18.2548 179.5570 27 E 4.1389 8.2482 118.6296 58.6770 29.4051 177.7863 28 P 4.5420 0.0000 0.0000 64.9061 31.5397 177.0181 29 L 4.1894 7.2282 116.5263 54.8547 41.8554 177.5217 30 G 3.8323 8.7194 108.3420 45.6816 0.0000 172.8154 31 H 4.8543 7.8635 116.5266 54.3519 31.1828 174.1339 32 K 4.6549 8.5123 119.4371 54.6945 34.7166 175.1780 33 V 4.8221 8.1367 124.2247 61.1718 33.6048 174.6543 34 F 4.6439 9.7913 127.0770 55.7119 41.5212 174.2614 35 N 4.9022 8.8314 124.1773 52.9700 38.8641 173.7598 36 Y 4.4180 9.0180 124.0066 57.4081 38.8500 176.9977 37 G 2.6335 8.2804 110.4524 44.6203 0.0000 174.3582 *39 Y 4.7917 8.1883 115.0424 57.9969 39.7319 175.5084 40 T 4.6019 7.6487 106.1867 60.2331 71.8038 174.2645 41 A 4.1466 8.4782 124.1229 54.2134 18.5057 178.1460 42 E 4.3826 8.0926 114.2118 56.2802 29.1125 176.4453 43 D 4.5392 7.8417 121.4629 54.1173 41.2327 177.7829 44 K 4.0110 8.8344 123.6533 58.7276 32.2880 176.8930 45 A 4.3863 7.1872 119.0226 50.8223 17.7275 175.4741 46 S 4.7150 8.1875 115.5122 57.7159 64.0922 172.9969 47 L 4.9081 8.4296 125.6033 53.2410 44.7633 175.8432 48 T 4.9944 8.1727 112.5418 59.9128 71.0802 174.0574 49 Y 4.2788 8.3312 118.4140 59.5594 38.5960 177.5159 50 V 3.6567 6.7693 119.7140 63.4238 31.3966 177.3048 *52 N 4.6726 8.3937 117.4939 52.7910 40.5366 177.1945 53 G 3.5917 7.8075 104.8635 47.4657 0.0000 175.6816 54 L 3.8926 7.7493 122.2217 57.8279 42.1189 178.8291 55 L 3.8352 7.7908 119.6264 57.9462 42.0710 178.2512 56 A 4.0186 8.0676 120.9436 55.3415 18.2463 179.9011 57 G 3.4711 7.8846 103.8134 47.9656 0.0000 175.9057 58 I 3.7527 7.7274 122.5013 64.2145 37.1348 178.6133 59 L 4.1361 8.3047 120.1306 57.5524 40.9146 179.4989 60 L 4.3027 7.9962 120.3721 57.1182 41.5323 179.1121 61 N 4.4848 8.1554 115.4057 55.6798 38.6940 177.1194 62 S 4.4081 8.0706 115.4439 58.9588 63.2518 175.9905 63 G 3.9061 7.5513 108.6997 45.2023 0.0000 174.2346 64 A 4.0292 7.8061 121.4857 53.5292 18.7809 177.9577 65 A 4.6126 7.8795 118.0197 50.8842 22.2915 176.2162 66 D 4.8828 8.9270 120.5381 55.2491 42.2966 176.7355 67 F 5.0497 7.9947 119.5377 56.6628 43.3697 172.9005 68 V 4.9000 8.3106 124.4504 61.1084 34.5535 174.1279 69 V 4.9243 9.3924 128.3064 62.0077 33.3274 174.0872 70 T 5.4868 9.0802 123.8699 62.0643 70.9962 172.1847 71 G 4.1435 8.8386 107.2760 45.4547 0.0000 171.7974 *73 G 3.9872 8.1436 107.1494 45.3351 0.0000 174.7573 74 T 4.1679 7.9099 107.1568 60.3010 71.2946 173.7608 75 G 3.3907 7.7312 109.9734 45.9817 0.0000 174.4652 *77 G 2.9911 7.8175 109.4332 45.4671 0.0000 176.4426 78 S 4.5795 7.0176 113.3635 58.3655 60.6652 176.4848 *80 L 4.2046 8.0934 122.3775 54.8299 43.4960 179.3235 81 A 4.2387 8.2747 121.1845 54.9401 18.7285 179.5170 82 A 3.9671 8.3177 118.4954 55.4687 18.4203 178.5711 83 N 4.4002 7.4515 109.5911 54.8574 38.9317 175.2013 84 A 4.2175 7.1613 122.5754 51.4320 18.2723 175.6909 *86 P 3.9299 0.0000 0.0000 64.5432 32.5737 177.1697 87 G 3.9487 8.5441 107.1053 46.0535 0.0000 173.0044 88 V 4.2113 6.8016 118.0649 60.7916 32.8310 175.3732 89 F 4.8039 9.1728 125.8673 55.7588 40.9625 172.4012 90 C 4.8899 9.4588 124.1828 57.4455 32.9438 173.3352 91 G 3.4949 8.8233 114.0017 45.1121 0.0000 172.3166 92 L 4.9608 8.1920 123.9186 53.3252 43.0952 175.5024 93 V 4.2247 8.0574 126.3401 61.5338 33.1937 174.1496 94 I 4.1952 8.8326 126.9426 62.3638 39.2204 175.9408 95 D 4.9973 8.4587 118.5309 50.7467 43.3177 175.0312 96 P 4.3414 0.0000 0.0000 65.5867 31.1561 179.1851 97 T 3.9820 7.9194 114.6620 66.4523 68.3539 176.1655 98 D 4.3715 8.9242 121.1411 57.3086 40.8884 178.7142 99 A 4.0163 8.0195 121.0198 55.1554 18.4341 179.1363 100 F 4.0009 8.5492 119.4836 61.7415 39.3789 177.3976 101 L 3.7712 8.3762 118.6814 57.4863 41.2657 179.3064 102 F 4.6153 7.9732 122.2654 60.8784 39.3040 177.4948 103 G 3.4077 8.2188 105.2794 47.6810 0.0000 175.4714 104 Q 4.0065 7.7624 119.9355 57.6171 28.6811 177.9881 105 I 3.9603 7.8245 119.8892 62.9398 37.9097 176.9372 106 N 4.4783 7.7780 115.6568 52.3104 40.5139 174.3257 107 D 4.0041 7.7564 118.8661 54.9119 40.0019 172.3091 108 G 3.9959 6.3670 107.8612 45.4666 0.0000 172.0883 109 N 4.9608 8.5513 113.2325 52.0845 38.5829 173.8293 110 A 4.5503 7.3105 119.5375 51.0262 22.8053 175.7052 111 I 4.9219 9.0061 113.2221 59.2137 41.3775 174.2927 112 S 5.5287 9.4213 118.6141 54.7813 66.3414 170.5757 *114 P 4.1468 0.0000 0.0000 62.9159 31.5873 175.9132 115 Y 4.2753 8.4098 120.1497 58.0675 38.9198 175.7401 116 S 4.4786 7.9547 113.6450 59.8080 65.3317 174.0333 117 K 4.1414 8.0044 121.4968 57.6080 31.8914 177.1175 118 G 3.9324 8.9801 114.4509 45.6623 0.0000 173.6277 119 F 4.5296 7.8982 122.7046 56.3288 38.9408 176.2419 120 G 4.2051 7.5056 120.6451 43.8651 0.0000 170.9447 121 W 4.5920 8.8709 124.1785 58.3631 29.5674 175.5331 122 A 3.7046 9.0094 122.4335 52.8082 16.2076 178.7164 123 A 3.8507 7.7070 121.0824 55.5705 18.1636 180.0306 124 E 4.1302 7.8664 114.6939 58.6241 29.9114 178.7244 125 L 4.2332 8.1242 120.7777 57.1014 42.0462 178.3502 126 N 4.2975 7.9709 116.6207 56.2809 38.7904 176.7683 127 L 3.6455 7.6117 120.3446 57.8269 41.7671 179.4463 128 Q 4.0437 7.5391 116.4511 59.0989 28.3935 178.6695 129 D 4.3568 7.7563 119.0178 57.3406 41.2490 178.7388 130 V 3.6851 7.5871 118.7652 66.1132 31.5347 177.7886 131 Y 4.2475 7.8026 116.7753 61.0990 37.4706 178.6383 132 R 4.0895 8.0255 118.3295 58.9644 30.1914 178.7288 133 K 4.2462 7.7008 116.9837 58.5045 32.2540 178.6587 134 L 4.1429 7.4426 117.9645 55.7840 41.8987 177.3231 135 F 5.0947 7.6951 114.3698 56.8931 39.6024 174.3794 136 D 4.7430 8.1964 120.2216 53.5093 43.4199 176.1241 137 G 4.0732 8.9317 111.2102 44.9088 0.0000 172.3867 138 E 4.1423 8.2973 118.0439 56.1962 30.0047 177.3162 139 R 4.3509 8.3810 121.4262 55.0819 32.1156 175.8106 140 G 3.9689 8.5779 104.9519 46.7528 0.0000 174.9375 141 L 4.0708 7.9882 119.3052 54.7212 42.0534 177.7265 142 G 4.1751 9.1722 105.6890 46.1001 0.0000 172.6920 143 Y 4.6440 7.9916 120.5446 55.3663 41.9846 172.8527 144 P 3.3735 0.0000 0.0000 62.0557 32.0928 177.5321 145 R 3.9903 8.5039 123.4198 59.9219 30.1235 179.1199 146 E 4.1074 8.0036 111.9414 57.6395 29.7390 182.0496 147 R 4.5279 8.1784 115.5698 56.4708 30.5373 177.7587 148 A 3.8434 7.6660 123.6340 55.5138 18.7320 179.8245 149 E 4.0775 8.2575 114.7932 59.7759 29.8914 179.3602 150 I 3.5613 7.2071 116.3557 62.7720 37.1908 177.5146 *152 R 4.1663 8.0647 122.4859 56.3595 31.7282 177.7269 153 K 3.9899 8.3917 117.5910 59.5963 31.8601 179.1419 154 N 4.3312 8.3708 116.8800 56.2758 38.3541 177.6252 155 R 3.8690 7.9902 119.2325 59.1133 30.2148 179.2186 156 G 3.5038 7.6382 104.8005 47.8811 0.0000 175.9208 157 I 3.7509 7.9000 122.5686 63.8172 36.9555 178.3669 158 L 3.9776 8.0689 121.5178 58.2260 41.9437 179.1133 159 R 4.0752 8.0663 118.1430 59.5560 29.7599 178.9510 160 E 4.0514 7.9706 117.2259 58.9359 29.6937 178.9030 161 L 4.0974 7.9487 120.5502 58.2004 42.2812 179.0733 162 K 4.2148 8.3537 120.9564 58.9794 31.8360 178.4458 163 D 4.5157 7.9477 118.5037 57.0217 40.7520 178.0874 164 A 4.1816 7.8707 121.0034 54.2214 18.5913 179.0166 165 S 4.3838 7.8264 111.9520 59.3494 64.1805 173.9863 166 C 4.5484 7.8306 119.6541 57.8908 29.2107 173.9424 167 R 4.3127 8.2531 122.9440 55.6465 31.7802 179.2824 168 D 4.7688 7.9533 120.8079 52.9164 39.2687 178.1639 *170 L 4.0970 8.7208 116.6178 55.1696 43.5155 178.4716 171 T 3.7976 7.8057 114.6318 66.5957 68.1420 176.7659 172 V 3.5198 7.6143 119.8061 66.0211 31.3630 178.1551 173 L 3.8735 7.6502 116.9750 57.4541 41.5181 178.9534 174 K 3.9903 7.5976 118.1431 56.9003 32.2597 177.5622 175 T 4.4809 7.1509 106.9537 60.9715 70.1322 174.9830 176 V 3.7415 7.7041 122.2930 60.8555 32.3370 175.9054 177 D 4.2987 8.6086 119.9744 55.2095 41.8808 177.5167 178 Q 4.1323 8.7304 126.2066 58.6586 28.8479 178.2921 179 D 4.3233 8.1764 120.1370 56.9026 41.0067 178.0873 180 L 3.8604 8.8648 121.2225 58.1285 41.9153 178.6792 181 L 3.8843 7.5847 118.6902 58.3394 42.1249 178.9328 182 R 3.9479 7.9371 117.5352 59.1788 29.9862 178.9190 183 A 3.9407 8.0910 120.3579 54.9970 18.0919 179.5307 184 A 3.9728 7.8161 118.8948 54.1177 18.5490 178.3247 185 I 3.5551 6.9354 108.4511 60.3577 37.6970 176.8040 186 A 4.0624 7.5027 122.8141 53.1726 18.8276 178.8990 187 G 3.9498 7.5282 106.1650 45.3760 0.0000 174.9070 188 E 4.1433 9.0446 120.5235 58.1707 29.8909 177.6723 189 K 4.5193 8.0776 117.0224 55.7424 33.8933 177.2040 190 F 4.1105 8.5697 122.5184 61.4558 39.5775 177.2159 191 A 4.2844 8.5723 122.5711 55.4126 18.5183 178.8467 192 E 4.0090 8.4666 114.8782 59.2132 29.7031 177.8352 193 L 4.3188 7.6852 117.1969 56.5018 42.2552 178.1312 194 F 4.1850 7.9296 120.4548 60.6400 38.9946 177.0187 195 Y 3.9663 7.4754 116.1126 60.7456 37.6737 176.8596 196 P 4.5294 0.0000 0.0000 63.8557 31.7271 176.3242 197 N 4.8076 7.9657 114.2647 52.5009 40.6186 173.9067 198 C 3.9121 7.0609 119.1809 59.0908 31.8351 173.2451 199 K 4.1424 8.6341 126.0684 56.8190 32.8878 176.4336 200 D 4.7329 7.6161 118.2749 52.6296 42.0552 176.0480 201 D 4.4330 8.6176 128.2596 57.1382 40.9326 178.5597 202 A 4.0554 8.3331 121.5901 55.2286 18.3835 179.8163 203 I 3.8502 8.0844 117.6706 64.4344 37.3748 178.2451 204 A 4.5587 8.3922 121.7285 55.4031 18.3234 179.4188 205 N 4.3323 8.9078 115.2373 56.7932 38.1847 177.0057 206 Y 3.9963 8.2373 120.8024 60.7353 38.9001 178.1491 207 L 4.0975 8.2933 119.9921 57.7529 41.7141 179.4671 208 R 4.0320 8.3197 118.4020 59.2645 29.8182 178.7682 209 S 4.2743 7.6680 111.3899 60.0804 63.2215 175.6059 210 L 4.0331 8.3186 122.2603 56.6260 41.6852 176.1966 211 D 4.6836 7.5504 122.5728 52.3116 39.8915 175.7238 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 0 G 8.25 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 0.00 0.00 0.00 *2 K 8.37 4.42 0.00 1.73 1.73 0.00 1.47 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.55 7.81 3 I 9.47 5.02 1.74 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.73 0.84 0.00 0.00 4 A 9.11 5.39 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 5 L 9.07 5.20 0.00 1.87 1.65 1.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.95 5.22 1.90 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 1.22 1.03 0.95 0.00 0.00 7 I 8.50 4.96 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.87 0.00 0.00 8 E 8.69 4.46 0.00 2.41 2.42 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 2.46 2.59 0.00 9 N 8.91 4.36 0.00 2.97 3.20 0.00 0.00 7.18 7.16 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 10 S 7.81 4.21 0.00 4.07 4.08 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 0.00 0.00 0.00 0.00 11 Q 8.11 4.52 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 12 A 7.84 4.05 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 13 A 7.97 4.13 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 14 K 8.20 4.41 0.00 1.69 1.61 0.00 1.43 0.00 0.00 1.04 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.28 7.81 15 N 7.98 4.17 0.00 2.71 2.90 0.00 0.00 7.04 7.88 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 16 A 7.92 4.06 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 17 V 7.72 3.59 2.28 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 1.20 0.00 0.00 1.01 0.00 0.00 18 V 7.92 3.67 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 0.97 0.00 0.00 0.44 0.00 0.00 19 H 8.75 4.24 0.00 3.35 3.50 0.00 5.65 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 20 E 8.48 3.93 0.00 2.20 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 2.33 2.34 0.00 21 A 8.22 4.15 1.69 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 22 L 8.22 3.87 0.00 1.82 1.82 0.32 0.52 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 23 T 7.89 3.86 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 1.05 0.00 0.00 24 T 7.70 3.85 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 1.31 0.00 0.00 25 V 7.59 4.00 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 1.22 0.00 0.00 1.26 0.00 0.00 26 A 8.30 4.18 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 27 E 8.25 4.14 0.00 2.15 1.97 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 2.40 2.15 0.00 28 P 0.00 4.54 0.00 2.05 2.12 0.00 3.80 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 2.22 2.11 0.00 29 L 7.23 4.19 0.00 1.77 1.63 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.72 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 31 H 7.86 4.85 0.00 3.16 3.03 0.00 5.58 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 32 K 8.51 4.65 0.00 1.94 1.43 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 0.97 7.81 33 V 8.14 4.82 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 0.85 0.00 0.00 0.83 0.00 0.00 34 F 9.79 4.64 0.00 3.12 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 82 A 8.32 3.97 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 83 N 7.45 4.40 0.00 2.73 2.84 0.00 0.00 7.06 7.23 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 84 A 7.16 4.22 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 *86 P 0.00 3.93 0.00 2.21 2.28 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.19 0.00 87 G 8.54 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 0.00 0.00 0.00 88 V 6.80 4.21 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 0.74 0.00 0.00 0.86 0.00 0.00 89 F 9.17 4.80 0.00 3.02 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 90 C 9.46 4.89 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 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 0.00 117 K 8.00 4.14 0.00 1.71 1.71 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.39 7.81 118 G 8.98 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 0.00 119 F 7.90 4.53 0.00 3.08 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 0.00 120 G 7.51 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 0.00 0.00 0.00 0.00 121 W 8.87 4.59 0.00 3.21 3.08 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 0.00 0.00 0.00 0.00 122 A 9.01 3.70 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 0.00 123 A 7.71 3.85 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 0.00 124 E 7.87 4.13 0.00 2.26 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 2.37 2.38 0.00 125 L 8.12 4.23 0.00 1.84 1.71 0.90 0.43 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 0.00 126 N 7.97 4.30 0.00 2.76 2.90 0.00 0.00 7.24 6.66 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 0.00 127 L 7.61 3.65 0.00 1.85 1.39 1.22 1.73 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 0.00 128 Q 7.54 4.04 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 129 D 7.76 4.36 0.00 2.78 2.69 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 0.00 130 V 7.59 3.69 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 1.00 0.00 0.00 0.93 0.00 0.00 131 Y 7.80 4.25 0.00 3.26 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 0.00 132 R 8.03 4.09 0.00 2.00 2.04 0.00 3.18 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 133 K 7.70 4.25 0.00 1.91 1.97 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.85 7.81 134 L 7.44 4.14 0.00 0.44 0.51 0.80 0.98 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 0.00 135 F 7.70 5.09 0.00 3.15 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 0.00 136 D 8.20 4.74 0.00 2.67 2.69 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 0.00 137 G 8.93 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 0.00 0.00 0.00 138 E 8.30 4.14 0.00 1.99 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 2.33 2.35 0.00 139 R 8.38 4.35 0.00 1.76 2.03 0.00 3.55 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 140 G 8.58 3.97 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 0.00 141 L 7.99 4.07 0.00 1.86 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.17 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 0.00 0.00 0.00 143 Y 7.99 4.64 0.00 3.06 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 0.00 144 P 0.00 3.37 0.00 2.04 1.58 0.00 3.68 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 2.06 2.01 0.00 145 R 8.50 3.99 0.00 1.89 1.98 0.00 3.24 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.22 0.00 146 E 8.00 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 1.90 0.00 147 R 8.18 4.53 0.00 1.89 1.93 0.00 3.10 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 148 A 7.67 3.84 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 0.00 149 E 8.26 4.08 0.00 2.00 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 2.38 2.26 0.00 150 I 7.21 3.56 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 1.17 0.57 0.90 0.00 0.00 *152 R 8.06 4.17 0.00 1.92 2.09 0.00 3.16 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 153 K 8.39 3.99 0.00 1.96 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.62 7.81 154 N 8.37 4.33 0.00 2.70 2.84 0.00 0.00 7.04 7.47 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 0.00 155 R 7.99 3.87 0.00 1.88 1.80 0.00 3.06 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 1.58 1.61 0.00 156 G 7.64 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.75 1.97 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 1.40 1.08 0.91 0.00 0.00 158 L 8.07 3.98 0.00 1.77 1.79 1.04 1.23 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 0.00 159 R 8.07 4.08 0.00 2.01 2.01 0.00 3.16 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.69 0.00 160 E 7.97 4.05 0.00 2.14 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 2.35 2.55 0.00 161 L 7.95 4.10 0.00 1.90 1.94 0.94 0.15 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 0.00 162 K 8.35 4.21 0.00 2.01 1.97 0.00 1.59 0.00 0.00 1.13 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.30 7.81 163 D 7.95 4.52 0.00 2.93 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 0.00 164 A 7.87 4.18 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 0.00 165 S 7.83 4.38 0.00 4.05 4.12 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 0.00 166 C 7.83 4.55 0.00 2.99 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 0.00 167 R 8.25 4.31 0.00 1.76 1.83 0.00 3.18 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 7.95 4.77 0.00 2.80 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 0.00 0.00 0.00 0.00 *170 L 8.72 4.10 0.00 1.74 1.94 0.82 0.75 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 0.00 171 T 7.81 3.80 4.35 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 0.00 0.00 1.16 0.00 0.00 172 V 7.61 3.52 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 1.06 0.00 0.00 0.95 0.00 0.00 173 L 7.65 3.87 0.00 1.51 1.43 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.60 3.99 0.00 1.72 1.74 0.00 1.44 0.00 0.00 1.51 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 0.65 7.81 175 T 7.15 4.48 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 1.22 0.00 0.00 176 V 7.70 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 0.72 0.00 0.00 0.89 0.00 0.00 177 D 8.61 4.30 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.73 4.13 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 179 D 8.18 4.32 0.00 2.84 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 0.00 180 L 8.86 3.86 0.00 1.65 1.83 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.58 3.88 0.00 1.65 1.83 0.86 1.18 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 0.00 182 R 7.94 3.95 0.00 1.99 1.90 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 183 A 8.09 3.94 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 0.00 184 A 7.82 3.97 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 0.00 185 I 6.94 3.56 0.56 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 1.16 0.46 0.41 0.00 0.00 186 A 7.50 4.06 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 0.00 187 G 7.53 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 0.00 0.00 0.00 188 E 9.04 4.14 0.00 2.13 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 0.00 2.42 2.34 0.00 189 K 8.08 4.52 0.00 1.87 1.81 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.16 7.81 190 F 8.57 4.11 0.00 3.29 3.25 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 0.00 0.00 0.00 0.00 191 A 8.57 4.28 1.65 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 0.00 0.00 192 E 8.47 4.01 0.00 1.98 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 0.00 2.30 2.37 0.00 193 L 7.69 4.32 0.00 1.38 1.43 0.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 194 F 7.93 4.18 0.00 2.19 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 0.00 0.00 0.00 195 Y 7.48 3.97 0.00 3.07 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 0.00 196 P 0.00 4.53 0.00 2.04 2.12 0.00 3.56 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 197 N 7.97 4.81 0.00 2.50 2.52 0.00 0.00 6.54 8.53 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 0.00 198 C 7.06 3.91 0.00 1.64 2.53 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 0.00 199 K 8.63 4.14 0.00 1.89 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.28 7.81 200 D 7.62 4.73 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.43 0.00 2.84 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 0.00 202 A 8.33 4.06 1.43 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 0.00 203 I 8.08 3.85 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.64 1.17 0.00 0.00 204 A 8.39 4.56 1.63 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 0.00 205 N 8.91 4.33 0.00 3.02 2.96 0.00 0.00 6.67 7.88 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 0.00 206 Y 8.24 4.00 0.00 3.19 3.08 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 0.00 0.00 0.00 0.00 207 L 8.29 4.10 0.00 2.07 1.82 0.74 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.32 4.03 0.00 2.12 1.94 0.00 3.02 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.90 0.00 209 S 7.67 4.27 0.00 3.93 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 0.00 210 L 8.32 4.03 0.00 1.64 1.67 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 211 D 7.55 4.68 0.00 2.79 2.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.