NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1069 8.2993 121.7889 56.8198 33.3391 174.1638 5 T 3.9334 8.6186 110.7342 59.7244 68.6528 169.9449 6 T 4.6649 9.0312 117.6846 59.6368 72.0393 174.3384 7A Q 4.9093 8.2983 122.6189 52.9683 32.6531 173.2754 7B P 4.4551 0.0000 0.0000 62.0293 32.2306 175.6408 7 P 4.6469 0.0000 0.0000 65.5424 32.1863 175.8480 8 S 5.2090 7.8366 112.4537 57.2900 66.5865 173.4919 9 M 4.6698 8.8256 120.1527 54.8467 35.6199 173.3551 10 D 5.2356 8.7305 126.0769 53.9224 42.8921 175.4277 11 C 4.7475 8.5636 120.2164 58.1314 35.4232 172.7594 12 A 4.8795 8.5736 127.3927 51.1112 19.7782 176.6918 13 E 4.1710 8.3201 119.8560 57.6000 30.0101 175.8102 14 G 4.1999 9.5521 111.1222 45.6526 0.0000 174.3349 15 R 4.4241 7.1668 117.9861 55.0422 31.9895 175.9222 16 A 4.8045 8.3672 121.5497 51.5894 19.9761 176.6350 17 A 4.5962 8.3838 121.9569 50.0845 21.8237 175.3987 18 N 4.8000 8.7016 119.7243 51.5678 40.9138 173.9801 19 L 4.6393 8.4084 125.6274 52.4852 43.3575 174.9985 20 P 5.2611 0.0000 0.0000 62.5142 33.5351 175.8832 21 C 5.1253 9.0585 119.8877 55.6008 45.4468 172.1208 22 N 5.4099 9.2513 123.9662 51.3587 41.0892 174.8492 23 H 4.8143 8.3784 118.0167 54.5883 28.9226 174.4088 24 S 4.3280 7.8977 115.5147 61.1856 63.7638 176.0557 25 T 4.1897 7.7375 116.4275 64.0227 68.8539 174.7273 26 I 3.7648 7.1730 121.6310 61.6036 38.4961 174.8798 27 S 4.7869 9.2548 121.4058 56.0133 65.2519 175.2224 28 G 3.7134 8.5882 109.3575 47.3889 0.0000 173.8637 29 N 4.8331 8.0291 116.2137 52.3274 37.9139 172.9981 30 E 4.9957 8.0738 118.8603 55.8884 30.8076 175.1701 30A Y 4.4735 9.2049 122.3965 56.3534 40.8055 174.9691 31 V 4.3533 8.3708 123.6458 62.2265 32.7996 174.3302 32 Y 5.3285 9.2386 126.1750 56.1249 41.5097 174.9116 33 W 5.4383 9.3401 121.4966 55.4151 32.7727 174.3526 34 Y 5.2956 9.3917 121.9684 56.2225 41.3737 174.7058 35 R 5.1502 9.2429 116.3951 54.6843 33.7762 173.8286 36 Q 4.7475 8.9957 121.2265 54.5127 32.4030 173.9169 37 I 4.3911 8.4779 127.4550 60.5575 38.7056 175.3257 38 H 3.8832 8.7081 124.7939 57.7579 27.9023 175.5208 39 S 4.7311 8.8372 123.0753 59.2038 62.8293 173.6463 40 Q 4.4213 7.7700 118.6074 54.2791 29.8213 175.5934 41 G 3.8768 8.5662 106.8101 45.3613 0.0000 171.6884 42 P 4.7034 0.0000 0.0000 63.2264 32.5072 175.5762 43 Q 4.6164 9.7413 123.4682 54.2007 31.9695 173.8160 44 Y 3.0325 9.0067 127.8360 58.6725 38.7678 174.3476 45 I 4.2033 7.2092 125.2443 61.7115 39.0568 175.3524 46 I 4.3110 6.5899 119.2332 60.6296 41.3844 171.8481 47 H 5.3903 8.7551 119.9061 54.7411 31.6532 172.2355 48 G 3.8463 9.0318 105.8772 45.9530 0.0000 171.7728 49 L 4.3816 8.7625 119.2618 54.9752 44.1914 176.9072 50 K 4.3446 7.7678 116.9104 57.3805 34.8875 176.1310 51 N 4.8691 7.7745 115.1168 50.8863 39.4674 174.7010 52 N 5.0803 8.3767 116.0613 53.0835 40.1493 173.9410 *54 E 4.3668 8.4245 120.3276 56.8189 31.3787 174.4575 55 T 5.1720 8.3161 119.4852 62.1293 72.5673 173.0720 56 N 5.1358 8.7459 122.4421 51.4772 40.1075 173.6460 57 E 4.1739 8.7671 115.7934 59.2688 29.7918 178.1330 58 M 3.9482 8.5833 118.9509 57.6675 32.5126 175.8589 *61 A 4.2766 7.4210 118.2542 52.1144 20.7291 175.1162 62 S 5.1650 8.6146 113.5355 56.7549 67.2636 173.5317 63 L 5.0423 9.0437 123.3675 53.3535 45.4211 175.1499 64 I 5.2163 8.5564 125.9697 58.6725 40.1666 174.3469 65 I 5.0212 8.4652 127.9231 59.2715 39.5404 175.9482 66 T 4.0432 8.3655 117.4216 61.4491 69.5415 175.1708 67 E 3.9073 8.8875 123.7626 59.3816 29.7584 177.9639 68 D 4.3739 7.9622 116.2587 54.2682 39.7068 177.2499 69 R 4.0596 8.0153 117.4517 56.5591 28.5730 176.8335 70 K 4.6180 8.5440 118.0794 57.9855 33.0757 176.5522 71 S 4.8842 7.8067 113.4974 57.2663 66.9026 173.2363 72 S 5.2559 9.4875 116.0539 57.3752 67.8814 173.3118 73 T 5.0462 8.8371 117.4896 61.8806 72.3596 172.9488 74 L 4.1159 7.9551 129.1655 54.1220 43.5310 175.2030 75 I 4.6776 8.3310 127.3383 59.5478 39.8763 174.4657 76 L 4.6539 8.1719 128.3492 52.6415 42.5765 175.8182 77 P 4.0204 0.0000 0.0000 65.6879 31.2356 176.9099 78 H 4.7984 7.6820 119.5360 52.5993 30.7541 172.0202 79 A 4.3793 8.9505 125.8111 52.2727 19.8735 176.4860 80 T 4.6898 8.4574 111.5871 59.4972 72.2935 175.0437 81 L 4.1134 8.5007 119.7989 57.6931 41.8715 179.9715 82 R 3.9950 7.9847 116.8108 59.1831 30.0571 177.1309 83 D 4.6460 7.7407 114.8684 55.2687 40.9740 176.2844 84 T 4.5066 7.9634 116.7645 63.5774 68.7400 173.5974 85 A 4.3808 8.4117 126.6734 51.1056 23.0171 174.5649 86 V 4.2700 8.1680 119.5868 62.6909 33.0598 174.4021 87 Y 4.9720 9.0036 125.7038 56.5776 40.6445 174.0509 88 Y 4.9522 9.3514 123.3001 56.5385 40.3045 173.9493 89 C 4.2522 8.8364 125.1073 54.7065 42.6645 172.8365 90 I 4.5285 8.4126 127.6000 59.3989 40.0740 174.7427 91 V 4.6841 8.3943 127.0660 61.7122 32.9643 175.0470 92 V 4.4343 9.0951 127.7505 60.8356 34.1573 174.5889 93 R 4.4536 8.8315 128.8791 56.0157 30.9306 175.9794 94 S 4.3321 8.4082 121.5341 59.5829 63.3072 174.1816 95 S 4.5564 8.4057 117.3879 57.6967 65.3914 173.7878 96 N 4.7110 8.5947 116.1995 54.0319 38.6803 176.0163 97 T 4.3063 7.6755 114.3548 63.2177 70.8985 174.6534 98 G 3.6617 7.9607 107.8722 46.2882 0.0000 173.2532 *102 K 3.9132 7.9543 118.6885 55.7087 33.1544 174.3868 103 L 4.1284 8.1410 125.1849 53.1175 42.8573 176.1873 104 I 4.0856 7.7152 124.5767 59.3956 37.2030 175.3247 105 F 4.0899 8.5700 125.4467 56.5708 39.1209 176.6345 106 G 4.0316 8.3719 118.7107 45.2266 0.0000 172.2419 107 Q 4.0172 8.9161 119.7537 56.9225 29.3708 178.3531 108 G 3.8505 8.0605 106.5968 44.9224 0.0000 172.0338 109 T 4.7288 8.3879 115.3294 61.4345 70.5291 174.8995 110 T 4.5320 8.7277 124.3956 62.9301 69.3763 173.8768 111 L 4.8685 9.1334 131.1976 53.9518 43.6354 175.4250 112 Q 4.5839 8.8594 127.3474 54.5351 30.2753 175.7226 113 V 4.0341 8.4763 126.3496 61.6847 31.6252 175.5330 114 K 4.3335 9.2918 129.6482 55.2562 33.0291 176.0419 115 P 4.7054 0.0000 0.0000 61.9718 32.2174 176.1824 116 D 4.2172 8.3125 117.9063 56.0800 39.8112 176.0154 117 I 2.8697 7.3633 119.2296 61.1242 33.2120 173.7206 118 Q 4.1098 7.7363 119.8527 57.9806 29.5758 177.0186 119 N 4.9543 7.5061 114.8124 50.6026 38.3980 171.4509 120 P 4.4992 0.0000 0.0000 62.6845 33.0288 177.1336 121 D 4.8899 8.9272 121.5371 52.3546 41.2685 173.8863 122 P 4.6864 0.0000 0.0000 63.6552 32.8509 176.8894 123 A 4.8251 8.7894 123.7918 50.6594 23.2716 175.1149 124 V 4.5905 7.5060 120.0219 61.4870 33.2962 174.5984 125 Y 4.9243 8.7725 125.9475 56.5031 40.7930 174.5186 126 Q 5.1109 8.7824 122.7982 54.6575 31.1313 174.5623 127 L 4.9406 8.9825 125.5534 53.0800 45.0355 175.7213 128 R 4.8874 8.4962 121.6496 54.0403 32.5852 175.7853 129 D 4.4624 8.6203 121.0296 54.6028 41.7651 176.6907 130 S 4.3912 8.5559 119.1586 59.5410 63.3187 174.4548 131 K 4.2071 7.0810 117.0365 55.8236 33.6761 177.1480 132 S 4.4325 8.4263 116.9922 58.7649 67.4239 175.2139 133 S 3.6849 8.6082 117.2199 59.0409 61.1937 173.9072 134 D 4.0280 8.1704 120.5771 54.8248 42.5617 182.6425 135 K 3.4627 8.7339 124.7026 56.7328 31.5937 176.7031 136 S 3.8179 8.8012 110.8578 60.1062 59.6502 170.0461 137 V 4.8585 8.4087 120.7057 61.1373 35.1159 173.1082 138 C 5.4425 9.9038 125.5471 55.4986 43.9048 172.3855 139 L 5.3461 9.2074 125.9876 53.4573 44.1358 174.9152 140 F 5.2801 9.3955 130.8690 57.5555 40.4181 174.4191 141 T 4.8162 8.3783 120.1950 60.8333 71.8424 173.0845 142 D 4.1520 8.1789 121.5501 55.1002 38.7172 174.1125 143 F 4.8562 6.6658 113.0228 55.0770 39.6750 174.9779 144 D 4.5671 8.3147 121.5086 53.1636 40.0600 176.9517 145 S 4.5736 8.3823 113.5819 59.4697 62.9272 175.5041 146 Q 4.1090 7.6005 121.6953 59.1867 28.9832 177.0599 147 T 3.9741 7.6739 114.0588 63.6019 68.8529 173.2560 148 N 4.7899 8.6077 123.3814 51.3988 40.2575 174.6321 149 V 4.0039 8.2910 124.0594 61.6178 31.1522 175.6606 150 S 4.4762 8.5286 124.0690 57.9239 63.4887 174.8518 151 Q 4.2670 8.3133 121.7868 55.5196 29.2264 176.5519 152 S 4.3354 8.1502 114.5182 58.1916 63.8522 174.6776 153 K 4.0605 7.6835 123.6108 58.8067 32.1615 177.6166 154 D 4.4092 7.7838 119.2213 53.8282 41.6078 177.0901 155 S 4.0581 8.5789 122.4805 60.8088 63.1219 174.6552 156 D 4.4061 7.4783 117.4398 53.3945 40.8223 175.5501 157 V 3.7376 6.6933 119.3132 60.9911 33.6131 174.3140 158 Y 4.2864 8.0872 126.2238 56.2545 39.5330 174.7179 159 I 5.1141 8.0287 124.7563 59.5880 40.1790 175.5406 160 T 4.5097 8.9327 117.4863 60.8433 69.9816 174.5956 161 D 4.6440 8.8012 122.8683 54.3415 41.5436 176.2494 162 K 4.8109 8.5946 121.1407 57.0733 33.5584 175.8915 163 C 5.0410 9.0390 118.7194 56.3211 33.4608 172.5971 164 V 4.6468 8.2973 118.9727 61.1568 33.3505 174.2930 165 L 4.5584 8.8548 129.7912 53.5643 44.0020 174.4738 166 D 5.0594 8.7712 126.4990 52.9934 42.2395 174.9490 167 M 4.3922 8.9163 126.2737 53.4785 31.1707 177.2853 168 R 3.9231 8.4378 123.4217 59.3298 30.4246 177.6904 169 S 4.2771 8.0641 111.0340 60.6150 63.1236 174.9131 170 M 4.2366 7.8544 120.6329 54.2916 33.1126 174.9189 171 D 4.3901 8.0898 117.8425 55.0282 40.4502 173.1938 172 F 4.8554 7.7939 119.3480 56.5181 43.1276 173.7425 173 K 5.6519 8.1127 123.9776 53.8790 35.9532 175.5255 174 S 4.3474 8.0074 115.2183 57.1711 66.4759 172.8889 175 N 5.0898 8.1330 119.3688 52.7161 40.3986 174.0868 176 S 5.2385 8.5260 114.7246 57.2816 67.0919 172.8115 177 A 5.2176 9.5606 122.9130 50.4868 22.8164 174.9608 178 V 5.1573 9.5039 121.9381 61.2363 34.2375 174.3794 179 A 5.6376 9.6823 129.4122 50.2120 22.2850 174.8154 180 W 5.3645 8.9466 117.3877 56.2882 32.0181 174.4053 181 S 3.9900 8.7914 111.5697 57.4494 67.9408 175.2332 182 N 4.2918 8.3535 113.8024 52.9864 36.4599 174.1111 183 K 4.2647 7.4314 117.3449 56.2684 32.9247 176.3103 184 S 4.0668 7.9421 114.7724 62.0383 63.6389 175.3628 185 D 4.6033 7.6631 123.8337 53.6372 39.5071 177.4128 186 F 4.5574 7.7842 119.2601 56.3269 41.2775 173.6493 187 A 4.4898 7.6139 130.4714 50.2717 20.9733 178.0800 188 C 4.3402 8.3395 115.5335 58.4835 40.6055 175.3310 189 A 3.7796 7.7609 122.4333 54.0844 18.5582 177.8041 190 N 5.1298 7.6815 109.2366 52.1686 39.6372 176.6286 191 A 3.8502 7.7823 121.6049 54.5050 18.7023 178.4647 192 F 4.8431 7.6933 113.2943 57.1930 39.7382 177.4737 193 N 4.3257 7.9833 120.9779 56.0107 38.3864 176.2066 194 N 4.6947 8.0484 114.0594 53.7605 39.4586 174.3292 195 S 4.7575 7.6199 112.7250 57.3152 65.4673 174.4888 196 I 4.0404 8.1173 124.3108 60.5590 35.9635 175.4583 197 I 4.2820 7.8518 119.1996 58.3071 39.2211 174.3914 198 P 4.4175 0.0000 0.0000 62.5309 31.6442 175.5871 199 E 4.1224 8.5846 117.9379 58.0580 29.8021 176.1389 200 D 4.5507 8.8518 118.4664 55.7032 38.2605 173.9774 201 T 4.2258 7.5160 115.1042 63.4439 69.1259 174.2676 202 F 4.3968 9.4495 130.4391 58.4041 40.5249 173.8611 203 F 4.5400 8.3361 125.4960 54.7174 40.2907 173.8470 204 P 4.0090 0.0000 0.0000 62.1547 31.9008 177.0840 205 S 4.3331 8.5529 115.8960 58.5960 63.2464 173.9500 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 4 K 8.30 4.11 0.00 1.73 1.77 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 5 T 8.62 3.93 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 1.21 0.00 0.00 6 T 9.03 4.66 4.25 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 1.22 0.00 0.00 7A Q 8.30 4.91 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 7B P 0.00 4.46 0.00 2.40 2.20 0.00 3.78 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 2.11 1.99 0.00 7 P 0.00 4.65 0.00 2.16 2.38 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 8 S 7.84 5.21 0.00 3.85 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 9 M 8.83 4.67 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 10 D 8.73 5.24 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.56 4.75 0.00 2.95 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.88 1.23 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 13 E 8.32 4.17 0.00 1.93 1.95 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 2.44 2.24 0.00 14 G 9.55 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.17 4.42 0.00 1.83 1.84 0.00 3.10 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 16 A 8.37 4.80 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 17 A 8.38 4.60 1.08 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 0.00 0.00 18 N 8.70 4.80 0.00 2.51 2.67 0.00 0.00 7.00 7.85 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 19 L 8.41 4.64 0.00 1.20 1.62 0.25 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 5.26 0.00 2.13 2.07 0.00 3.84 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 2.00 1.98 0.00 21 C 9.06 5.13 0.00 3.22 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 22 N 9.25 5.41 0.00 2.63 2.65 0.00 0.00 6.19 8.85 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 23 H 8.38 4.81 0.00 3.29 3.39 0.00 5.46 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.90 4.33 0.00 4.00 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 25 T 7.74 4.19 4.25 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 1.21 0.00 0.00 26 I 7.17 3.76 2.07 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 1.01 0.00 0.00 27 S 9.25 4.79 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 0.00 0.00 0.00 29 N 8.03 4.83 0.00 2.92 3.01 0.00 0.00 6.20 7.66 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 30 E 8.07 5.00 0.00 2.00 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 0.00 2.33 2.29 0.00 30A Y 9.20 4.47 0.00 3.12 2.56 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 31 V 8.37 4.35 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 1.12 0.00 0.00 0.76 0.00 0.00 32 Y 9.24 5.33 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 33 W 9.34 5.44 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.39 5.30 0.00 3.14 3.15 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 35 R 9.24 5.15 0.00 1.08 1.52 0.00 2.22 0.00 0.00 2.87 7.23 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 0.00 117 I 7.36 2.87 1.78 0.00 0.00 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 1.45 0.56 0.81 0.00 0.00 118 Q 7.74 4.11 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.99 7.24 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 119 N 7.51 4.95 0.00 2.83 2.83 0.00 0.00 6.94 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 0.00 120 P 0.00 4.50 0.00 2.04 1.96 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 121 D 8.93 4.89 0.00 2.63 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 0.00 122 P 0.00 4.69 0.00 2.29 2.29 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 123 A 8.79 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.51 4.59 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 1.06 0.00 0.00 0.60 0.00 0.00 125 Y 8.77 4.92 0.00 3.06 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 0.00 126 Q 8.78 5.11 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 127 L 8.98 4.94 0.00 1.85 1.56 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.50 4.89 0.00 1.70 1.86 0.00 3.25 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 129 D 8.62 4.46 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.39 0.00 3.89 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 0.00 131 K 7.08 4.21 0.00 1.94 1.61 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.36 7.81 132 S 8.43 4.43 0.00 3.80 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 0.00 133 S 8.61 3.68 0.00 4.01 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.17 4.03 0.00 2.67 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 0.00 135 K 8.73 3.46 0.00 1.91 1.73 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.67 7.81 136 S 8.80 3.82 0.00 4.17 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 0.00 137 V 8.41 4.86 2.16 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 1.20 0.00 0.00 0.94 0.00 0.00 138 C 9.90 5.44 0.00 3.13 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 0.00 139 L 9.21 5.35 0.00 1.94 1.78 1.07 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 140 F 9.40 5.28 0.00 1.65 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 0.00 141 T 8.38 4.82 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 1.47 0.00 0.00 142 D 8.18 4.15 0.00 3.07 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 0.00 143 F 6.67 4.86 0.00 2.98 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 0.00 144 D 8.31 4.57 0.00 2.89 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 0.00 145 S 8.38 4.57 0.00 3.88 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 0.00 146 Q 7.60 4.11 0.00 2.02 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 147 T 7.67 3.97 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 1.03 0.00 0.00 148 N 8.61 4.79 0.00 2.70 2.76 0.00 0.00 6.97 7.68 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 0.00 149 V 8.29 4.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 150 S 8.53 4.48 0.00 4.04 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 0.00 151 Q 8.31 4.27 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 152 S 8.15 4.34 0.00 3.84 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 0.00 153 K 7.68 4.06 0.00 1.78 1.86 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 154 D 7.78 4.41 0.00 2.66 2.39 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 0.00 155 S 8.58 4.06 0.00 3.80 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 0.00 156 D 7.48 4.41 0.00 2.48 2.45 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 0.00 157 V 6.69 3.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.74 0.00 0.00 158 Y 8.09 4.29 0.00 1.43 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 0.00 159 I 8.03 5.11 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 1.12 0.00 0.00 160 T 8.93 4.51 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 1.64 0.00 0.00 161 D 8.80 4.64 0.00 2.76 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 0.00 162 K 8.59 4.81 0.00 2.03 2.08 0.00 1.70 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 163 C 9.04 5.04 0.00 3.04 3.10 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 0.00 0.00 0.00 0.00 164 V 8.30 4.65 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 0.71 0.00 0.00 0.98 0.00 0.00 165 L 8.85 4.56 0.00 1.86 1.62 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.77 5.06 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 M 8.92 4.39 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 168 R 8.44 3.92 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 169 S 8.06 4.28 0.00 4.06 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 0.00 170 M 7.85 4.24 0.00 2.04 2.37 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 171 D 8.09 4.39 0.00 2.78 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 0.00 172 F 7.79 4.86 0.00 3.13 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.11 5.65 0.00 1.39 1.53 0.00 1.78 0.00 0.00 2.36 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.13 7.81 174 S 8.01 4.35 0.00 3.85 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 0.00 175 N 8.13 5.09 0.00 1.44 2.02 0.00 0.00 6.56 7.55 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 0.00 176 S 8.53 5.24 0.00 3.96 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 0.00 177 A 9.56 5.22 1.56 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 0.00 178 V 9.50 5.16 2.39 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 1.24 0.00 0.00 1.10 0.00 0.00 179 A 9.68 5.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 W 8.95 5.36 0.00 3.52 3.32 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 0.00 181 S 8.79 3.99 0.00 2.72 2.63 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 0.00 182 N 8.35 4.29 0.00 3.07 3.10 0.00 0.00 6.05 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 0.00 183 K 7.43 4.26 0.00 1.89 1.81 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.35 7.81 184 S 7.94 4.07 0.00 3.90 3.88 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 0.00 0.00 0.00 0.00 185 D 7.66 4.60 0.00 2.68 2.64 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 0.00 186 F 7.78 4.56 0.00 2.89 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 0.00 187 A 7.61 4.49 1.11 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 0.00 188 C 8.34 4.34 0.00 3.01 3.26 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 0.00 189 A 7.76 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 N 7.68 5.13 0.00 2.69 2.72 0.00 0.00 6.72 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 0.00 191 A 7.78 3.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 F 7.69 4.84 0.00 2.91 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 0.00 193 N 7.98 4.33 0.00 2.90 2.83 0.00 0.00 6.66 6.33 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 0.00 194 N 8.05 4.69 0.00 2.65 2.81 0.00 0.00 6.83 7.63 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 0.00 195 S 7.62 4.76 0.00 3.87 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 0.00 196 I 8.12 4.04 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.92 0.00 0.00 197 I 7.85 4.28 1.73 0.00 0.00 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 1.43 0.58 0.36 0.00 0.00 198 P 0.00 4.42 0.00 2.31 2.30 0.00 3.94 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 2.22 2.09 0.00 199 E 8.58 4.12 0.00 2.13 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 2.32 2.38 0.00 200 D 8.85 4.55 0.00 2.92 2.89 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 0.00 201 T 7.52 4.23 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 0.91 0.00 0.00 202 F 9.45 4.40 0.00 3.01 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 0.00 203 F 8.34 4.54 0.00 2.80 2.81 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 0.00 204 P 0.00 4.01 0.00 2.02 2.03 0.00 3.45 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.68 0.00 205 S 8.55 4.33 0.00 3.99 3.85 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 * Residues marked with a * may have inaccurate shift predictions.