NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4335 8.3193 116.7969 57.6275 65.3381 174.3803 3 P 4.3727 0.0000 0.0000 61.7184 29.7377 174.0770 4 K 3.8154 9.4701 116.8771 58.0389 31.2251 177.6718 5 V 3.4314 7.9379 108.2565 62.8629 29.0444 173.9632 6 T 4.2481 7.5933 111.3165 63.0366 68.7808 176.4978 7 K 3.9545 7.9316 123.2858 59.5270 32.2928 177.9415 8 E 3.9155 8.1368 119.1834 59.6441 29.6417 178.1254 9 H 4.1355 8.0371 118.4059 59.0962 29.8116 177.2024 10 K 3.9150 8.1489 121.5560 59.4513 32.0029 178.5643 11 D 4.2899 8.4257 119.6233 57.3050 40.7539 178.9993 12 K 3.9618 8.2129 119.0336 59.4992 32.0490 179.7190 13 R 4.0504 7.8102 118.3271 59.3673 29.9590 179.1085 14 Q 3.8945 7.9556 117.8152 58.7779 28.6503 178.7850 15 A 3.9654 8.1594 121.9041 55.1143 18.4671 179.2249 16 E 3.8161 8.2262 117.7958 59.5957 29.6328 179.1828 17 I 3.6102 7.7793 119.7918 64.3104 37.0720 178.4660 18 L 3.8818 7.9863 119.8924 57.3613 41.4831 179.3529 19 E 3.8631 8.2818 118.6045 59.2893 29.5573 179.0366 20 A 3.8540 7.9128 120.4740 55.0859 18.4121 179.5058 21 A 3.4975 7.9594 119.2017 55.0955 18.4457 179.7860 22 K 3.9919 8.1373 117.2002 60.1624 32.2898 179.5604 23 T 3.8496 7.6987 115.4836 66.6840 68.2917 176.9185 24 V 3.6234 7.4203 119.6496 65.9586 31.5662 178.1565 25 F 4.5850 8.5221 117.9213 60.5768 38.4908 177.8356 26 K 4.1159 8.1466 117.6226 59.1715 31.8613 179.1637 27 R 4.0742 7.5194 117.2778 58.9488 30.3101 177.8739 28 K 4.4343 8.3472 115.2488 55.2435 33.2819 177.2392 29 G 4.0083 8.1055 105.7572 44.6020 0.0000 173.5903 30 F 4.0959 8.5667 119.3390 61.2481 39.3957 177.3034 31 E 3.4759 7.9816 118.1002 58.6404 29.3771 177.7008 32 L 4.3073 7.6001 115.8079 55.1588 42.3557 176.6321 33 T 4.5037 7.2933 115.8947 63.2119 70.3310 173.3466 34 T 4.3846 7.9038 113.1542 61.8516 68.8531 176.0592 *36 K 4.2494 8.8109 119.3643 56.3932 33.8592 176.6689 37 D 4.3426 7.9417 118.1194 57.6777 40.7193 179.2596 38 V 3.5059 7.4890 118.5710 65.5582 31.2512 178.2038 39 V 3.6103 7.6780 116.8507 65.9114 31.5258 177.0239 40 E 4.0605 8.2709 119.0003 59.5509 29.3032 178.4994 41 E 3.8939 7.9199 117.9108 59.1279 29.7013 178.5500 42 S 4.0238 7.9783 113.5186 58.9621 63.2834 175.5741 43 G 3.9017 7.5997 109.0977 45.5887 0.0000 173.3784 44 F 4.9587 7.7143 118.8768 56.2047 40.3244 175.8371 45 S 4.5853 8.3277 116.8683 57.7259 65.1456 175.1845 46 R 4.1602 8.5263 121.7901 59.7852 29.9766 178.8377 47 G 3.7505 8.2079 105.0207 47.5828 0.0000 175.6065 48 G 3.7430 7.8448 106.6235 46.9801 0.0000 175.5660 49 V 4.2430 7.6413 120.2625 65.8639 31.7370 177.6736 50 Y 4.4582 8.2960 116.3961 59.9158 37.6667 177.6810 51 L 3.8868 7.6192 121.0897 57.9447 42.0769 177.2094 52 Y 4.2877 7.5449 113.5169 58.4184 39.4787 176.0462 53 F 5.3291 8.1615 117.5478 56.0381 42.5533 175.4135 54 S 4.4775 9.1770 120.4036 58.8549 63.4677 174.0310 55 S 4.6099 7.3700 113.0927 57.1768 65.1156 174.8759 56 T 4.0966 8.4321 111.6840 64.6387 69.1362 175.5814 57 E 4.3242 8.4488 122.9906 59.3064 30.0647 178.8501 58 E 4.1657 8.1828 116.4704 56.9560 29.5722 177.9224 *60 F 4.3766 8.1684 121.1678 57.7068 41.2647 177.2261 61 R 3.8466 8.1188 119.6140 59.2655 29.7482 179.2296 62 R 4.0043 8.0206 117.8682 59.3263 29.8801 179.2487 63 I 3.7025 7.4819 119.1795 64.1272 37.2940 178.2259 64 I 3.5066 7.2977 120.3792 64.4923 36.8611 178.3732 65 E 4.0434 8.2948 119.5547 59.5590 29.4040 179.5397 66 T 4.0066 8.1344 110.1111 64.5656 68.8488 176.9280 67 G 3.5628 7.8542 108.5618 47.5339 0.0000 175.5085 68 L 4.0178 7.8085 122.5500 58.0230 42.1577 178.8151 69 D 4.4382 8.5430 119.1762 57.0425 40.6698 178.1435 70 E 4.2317 8.2668 119.6799 58.4729 29.8700 178.6967 71 G 3.7316 8.0842 105.8799 47.8516 0.0000 175.7770 72 L 4.0843 8.1075 121.6674 57.3661 41.5830 179.5112 73 R 3.8968 8.0811 118.7630 59.3964 30.0114 178.7366 74 K 4.0413 8.1666 118.2947 59.4234 32.1720 179.3917 75 L 4.0190 7.8683 118.7780 57.8658 41.3344 179.3545 76 D 4.3040 8.0076 117.6444 57.3740 41.0974 178.6948 77 K 4.1104 8.4404 119.4464 59.4286 32.0394 179.3415 78 S 4.1532 8.1959 113.3069 61.2348 62.1428 175.3920 79 A 4.4740 7.5573 121.1022 52.5757 18.2592 178.2044 80 E 4.2223 7.8434 116.7786 57.2480 30.0161 176.4251 81 H 4.9295 7.8627 113.5982 55.0492 30.3444 172.3670 82 Q 4.5449 7.4538 117.0121 53.7540 31.3282 173.5862 83 S 4.2535 8.3784 112.7318 58.2571 64.9465 175.1496 84 V 3.6057 8.8980 123.0377 65.8783 31.1935 178.2945 85 W 4.5204 8.9699 128.2345 60.6638 30.5496 177.8772 86 A 3.8607 8.4892 121.0024 55.0121 17.7753 179.6315 87 S 4.0304 8.1439 111.8430 61.5518 62.6231 176.4839 88 I 3.7723 7.7612 122.5519 64.4909 36.4709 178.4353 89 S 3.8963 7.7316 114.0297 61.2740 61.9872 176.4189 90 S 4.1348 8.2974 118.3231 61.4308 62.4700 175.7829 91 Y 4.0799 8.1571 122.3255 60.9286 38.4376 178.4495 92 L 3.9519 8.0573 119.0355 57.4372 41.7440 179.3123 93 D 4.3352 7.6732 118.8339 57.1351 40.9177 178.3683 94 E 3.8852 8.2960 119.4082 59.3065 28.9376 178.9896 95 L 3.7015 7.7403 120.4737 58.5670 41.7962 179.0861 96 T 3.8340 7.2078 114.0949 66.8234 68.4890 175.8449 97 E 4.1910 7.9178 119.5319 58.7738 29.7900 178.4152 98 G 3.7578 8.4431 104.6069 46.2605 0.0000 174.1152 99 L 4.4145 7.1519 118.7116 54.9084 41.9795 177.8745 100 R 4.0275 8.0988 118.8344 59.2392 30.2485 177.3362 101 D 5.0153 7.7105 115.6305 53.2264 41.0166 177.8109 102 V 3.7294 7.4407 119.6700 63.8635 32.6040 178.8222 103 A 4.0264 7.9122 122.3039 54.3598 18.3775 177.4329 104 D 4.7111 7.6455 113.8851 54.2569 40.9835 176.0784 105 T 4.5845 7.2188 110.5125 59.9470 71.1652 174.6694 106 L 4.2352 8.2076 118.8649 55.7332 41.7046 178.5841 107 A 3.8912 7.7713 122.3073 54.8925 18.3472 177.8861 108 P 4.4516 0.0000 0.0000 66.0571 31.3138 178.6769 109 V 3.6812 7.8146 117.4937 65.9664 31.5740 177.9313 110 Q 4.1873 8.4647 118.1142 58.9590 28.4934 178.6095 111 F 4.2259 8.6532 119.2150 60.6307 38.6128 177.5069 112 E 4.0650 8.3810 118.0506 59.6757 29.0947 178.7359 113 Y 3.8646 7.9466 118.1021 60.8473 39.1223 177.9903 114 L 4.1382 8.3379 120.0998 57.5451 41.8559 179.7340 115 V 3.8105 7.9944 119.6550 64.8666 31.2708 177.6785 116 T 4.2660 7.4423 107.4977 62.0799 68.6760 176.1384 117 A 3.9859 8.0365 125.3229 54.5572 18.1058 179.7665 118 W 4.3258 7.7873 113.8335 58.3388 28.1837 177.0209 119 R 3.9872 6.5360 115.0588 54.7140 29.1108 176.3844 120 N 4.5225 7.6236 118.4996 52.3413 40.6949 173.4586 121 E 3.9064 8.5889 129.4952 59.0368 29.9097 177.9231 122 E 3.9361 8.1543 119.0575 59.2296 29.7182 178.6311 123 R 3.9806 8.1598 118.5501 59.2923 30.0175 178.4802 124 R 3.8902 8.1962 118.7364 59.5403 30.1044 178.5728 125 Q 4.0191 8.4961 118.2615 58.8876 28.6405 178.1250 126 Y 4.1219 8.0740 120.6982 60.6125 38.8294 177.6318 127 L 3.7064 8.2608 121.6077 58.2807 42.1734 178.6388 128 E 3.9537 8.5139 119.4039 59.1499 29.5916 178.9084 129 K 4.0298 8.1766 118.6946 59.5327 32.1106 179.5516 130 R 3.9507 7.7002 117.9552 58.9814 29.8773 178.3420 131 Y 4.1671 8.2889 119.7111 60.9568 38.8531 177.9786 132 D 4.3418 8.3728 119.7588 57.2894 40.9385 178.5474 133 L 3.9614 7.9316 120.7467 58.0052 41.9851 178.8807 134 F 4.0446 8.2882 120.6239 61.2072 39.3599 177.1785 135 V 3.3154 7.9041 118.0885 65.8553 31.2395 177.5491 136 E 3.8426 8.1260 118.8080 59.4083 29.6248 179.0548 137 R 3.8003 7.8192 117.9976 59.2521 30.1448 178.9396 138 F 3.7521 7.9169 120.6512 61.0424 39.1927 177.3663 139 S 4.0573 8.1004 115.0604 61.4973 62.5820 176.6412 140 R 3.7983 7.7632 121.4552 59.1212 29.8926 178.3487 141 L 3.7933 7.5563 119.9542 58.1362 42.0584 178.9744 142 L 4.0747 7.6010 118.8854 57.8348 41.4330 179.3488 143 Q 3.9962 8.1716 119.7144 58.7646 28.9973 177.9981 144 K 3.9515 8.1384 121.0781 59.3373 32.1133 178.8606 145 G 3.1951 7.8976 105.4222 47.6981 0.0000 175.4891 146 I 3.8371 7.7418 122.4199 64.4277 36.9841 178.1072 147 D 4.3558 8.1582 118.3709 57.1572 40.6729 178.1334 148 Q 4.4047 7.5597 115.5523 55.0729 28.9350 176.4057 149 G 3.8641 7.9124 108.1360 46.1153 0.0000 174.9615 150 E 3.9581 8.1461 122.1054 57.9374 29.7008 176.7350 151 F 5.3426 7.4723 114.6085 55.8984 42.7102 175.7107 152 Q 4.5605 8.8573 120.1625 53.0213 29.0493 172.7842 153 P 4.5829 0.0000 0.0000 62.6958 32.2428 176.5418 154 V 4.1762 8.5193 115.6566 61.3257 32.1182 175.5966 155 Q 4.6782 7.4306 117.6400 52.3702 33.0097 173.6067 156 P 4.4447 0.0000 0.0000 62.4771 33.2303 177.8041 157 L 4.0286 8.5699 120.8201 58.0201 41.6136 179.8522 158 A 4.0440 7.9661 120.2490 55.3698 18.3031 179.6932 159 T 3.9526 7.9142 113.8326 66.8467 68.5532 176.7989 160 I 3.9803 7.8894 121.3493 64.3890 37.1622 178.2287 161 A 4.0988 8.5586 121.9536 55.3987 18.2650 179.9393 162 K 4.0863 8.3417 116.9553 59.5052 31.9063 179.4701 163 F 4.0474 8.5380 120.5167 61.0899 39.3626 176.6621 164 F 4.2370 8.5700 119.7632 61.1107 39.4426 176.4956 165 L 3.8659 8.1632 119.9266 58.0876 41.8351 179.4312 166 N 4.4395 7.7875 112.6504 53.9777 38.2431 176.2971 *168 N 4.4311 8.0605 120.4896 53.7504 40.7494 176.2967 169 D 4.6114 8.1398 118.1167 57.2013 40.7263 179.0310 170 G 3.4842 8.1012 106.3714 47.6980 0.0000 175.8139 171 I 3.6918 7.5948 121.7415 64.2011 37.1866 178.3877 172 I 3.7232 7.6557 120.3482 64.4746 36.9629 178.4269 173 Q 3.8493 8.2177 119.0357 59.0478 28.6563 178.6782 174 N 4.4391 8.3636 117.2165 56.5316 38.4234 177.3696 175 A 4.0772 7.8499 120.7226 55.0090 18.4650 179.3739 176 L 3.9283 7.5964 117.0283 57.5735 41.8060 178.4241 177 Y 4.0440 7.6036 114.7451 57.6592 38.4887 175.6088 178 F 5.1986 7.0152 116.6773 54.4702 42.9278 174.7101 179 D 4.6406 8.5676 122.8083 53.0530 41.0799 177.0555 180 E 3.9113 8.6780 119.7808 59.6742 29.3313 178.4660 181 E 3.9454 8.1391 117.2831 59.0446 29.8598 178.1712 182 K 3.9994 8.0198 118.2603 59.3058 32.3587 178.2758 183 A 4.2007 8.2876 120.4956 53.4703 19.3422 177.1174 184 D 4.2884 8.1389 115.4053 55.0111 40.4939 175.2689 185 V 3.6118 7.7180 119.5234 66.1449 31.8767 176.4001 186 S 4.1652 8.0729 112.4636 61.3730 62.3070 176.2193 187 G 3.6321 8.1072 107.9023 47.8408 0.0000 175.6539 188 L 3.9994 8.0934 121.3069 57.4548 41.5428 179.4832 189 A 4.0035 8.4511 121.1883 55.2311 18.2735 179.5808 190 E 3.9892 8.3609 117.1552 59.5741 29.4771 179.7740 191 S 4.2047 8.3583 115.3037 61.4265 62.8182 176.5213 192 A 4.1952 8.2756 123.6726 55.1844 18.1030 179.7141 193 K 4.1016 8.4495 117.2283 59.5998 32.2896 179.1175 194 L 4.0483 8.1982 120.5426 58.4382 41.9419 178.4205 195 Y 4.1345 8.3491 119.2408 60.8111 38.8373 177.9993 196 L 3.7681 8.4550 120.0351 57.6759 41.7624 179.4237 197 K 3.3425 8.5213 119.6919 59.5089 32.1638 179.1056 198 T 3.7831 7.6684 115.8468 66.6078 68.4479 177.4296 199 V 3.5299 7.6741 121.1193 63.9575 31.3804 177.4279 200 L 4.0618 7.7695 118.0375 53.6158 42.4334 176.0320 201 Q 3.3711 7.3671 116.9132 56.5357 26.7828 174.1539 202 A 4.4650 7.6776 118.8926 50.9816 20.0161 178.4466 203 D 4.8181 8.2678 123.2898 52.4028 40.8049 174.7662 204 E 4.7119 7.2745 119.7468 54.3694 33.5038 174.7218 205 K 4.2523 8.5162 124.8148 57.0240 32.1873 175.2636 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 2 S 8.32 4.43 0.00 3.88 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 3 P 0.00 4.37 0.00 2.30 2.21 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 4 K 9.47 3.82 0.00 1.90 1.91 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.44 7.81 5 V 7.94 3.43 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 0.81 0.00 0.00 0.94 0.00 0.00 6 T 7.59 4.25 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 1.21 0.00 0.00 7 K 7.93 3.95 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.63 1.51 7.81 8 E 8.14 3.92 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 9 H 8.04 4.14 0.00 3.18 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.15 3.92 0.00 2.02 2.07 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.49 7.81 11 D 8.43 4.29 0.00 2.88 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 12 K 8.21 3.96 0.00 2.00 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 13 R 7.81 4.05 0.00 1.87 1.66 0.00 2.97 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 14 Q 7.96 3.89 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 15 A 8.16 3.97 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 16 E 8.23 3.82 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.50 0.00 17 I 7.78 3.61 2.23 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.64 1.04 0.00 0.00 18 L 7.99 3.88 0.00 1.81 1.64 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.28 3.86 0.00 2.10 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 2.46 2.44 0.00 20 A 7.91 3.85 1.20 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 21 A 7.96 3.50 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 22 K 8.14 3.99 0.00 1.97 1.89 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.63 7.81 23 T 7.70 3.85 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 1.23 0.00 0.00 24 V 7.42 3.62 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 0.98 0.00 0.00 0.81 0.00 0.00 25 F 8.52 4.59 0.00 3.26 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.15 4.12 0.00 2.00 1.90 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.60 7.81 27 R 7.52 4.07 0.00 1.92 2.11 0.00 3.23 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 28 K 8.35 4.43 0.00 1.79 1.85 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 29 G 8.11 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.57 4.10 0.00 2.00 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 31 E 7.98 3.48 0.00 1.91 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 2.38 2.30 0.00 32 L 7.60 4.31 0.00 1.77 1.68 0.91 0.82 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 33 T 7.29 4.50 4.59 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 0.96 0.00 0.00 34 T 7.90 4.38 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 1.23 0.00 0.00 *36 K 8.81 4.25 0.00 1.87 1.89 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.43 2.60 0.00 113 Y 7.95 3.86 0.00 2.69 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 0.00 114 L 8.34 4.14 0.00 2.12 1.77 1.18 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.99 3.81 2.19 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 1.05 0.00 0.00 1.02 0.00 0.00 116 T 7.44 4.27 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 1.21 0.00 0.00 117 A 8.04 3.99 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 0.00 118 W 7.79 4.33 0.00 3.63 3.20 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 0.00 119 R 6.54 3.99 0.00 1.17 0.66 0.00 2.57 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 120 N 7.62 4.52 0.00 2.48 2.52 0.00 0.00 6.88 8.18 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 0.00 121 E 8.59 3.91 0.00 2.09 1.91 0.00 0.00 0.00 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 2.43 0.00 122 E 8.15 3.94 0.00 2.04 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 2.41 2.33 0.00 123 R 8.16 3.98 0.00 1.84 1.91 0.00 2.66 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 124 R 8.20 3.89 0.00 2.25 2.04 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 125 Q 8.50 4.02 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 126 Y 8.07 4.12 0.00 3.04 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.26 3.71 0.00 1.80 1.83 0.90 0.91 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 0.00 128 E 8.51 3.95 0.00 2.15 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 2.37 2.40 0.00 129 K 8.18 4.03 0.00 1.97 1.84 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.73 7.81 130 R 7.70 3.95 0.00 1.77 1.88 0.00 3.18 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.29 0.00 131 Y 8.29 4.17 0.00 3.05 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 0.00 132 D 8.37 4.34 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 0.00 133 L 7.93 3.96 0.00 1.97 1.79 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.29 4.04 0.00 3.19 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 0.00 135 V 7.90 3.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.65 0.00 0.00 136 E 8.13 3.84 0.00 2.12 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 2.26 2.32 0.00 137 R 7.82 3.80 0.00 1.73 1.87 0.00 3.29 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 138 F 7.92 3.75 0.00 2.08 2.44 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 0.00 139 S 8.10 4.06 0.00 4.08 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 0.00 140 R 7.76 3.80 0.00 1.92 2.03 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 141 L 7.56 3.79 0.00 1.57 1.31 0.80 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.60 4.07 0.00 1.79 1.66 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.17 4.00 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 144 K 8.14 3.95 0.00 1.82 1.92 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 145 G 7.90 3.20 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 0.00 146 I 7.74 3.84 2.03 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 1.79 1.06 0.91 0.00 0.00 147 D 8.16 4.36 0.00 2.76 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 0.00 148 Q 7.56 4.40 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.19 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 149 G 7.91 3.86 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 0.00 0.00 0.00 150 E 8.15 3.96 0.00 1.16 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 2.11 1.97 0.00 151 F 7.47 5.34 0.00 2.85 2.83 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 0.00 152 Q 8.86 4.56 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 153 P 0.00 4.58 0.00 1.92 1.93 0.00 3.68 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 2.04 2.11 0.00 154 V 8.52 4.18 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 0.65 0.00 0.00 0.91 0.00 0.00 155 Q 7.43 4.68 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 156 P 0.00 4.44 0.00 2.19 1.99 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 157 L 8.57 4.03 0.00 1.69 1.72 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.97 4.04 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 0.00 159 T 7.91 3.95 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 160 I 7.89 3.98 2.15 0.00 0.00 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 1.55 0.88 1.13 0.00 0.00 161 A 8.56 4.10 1.45 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 0.00 162 K 8.34 4.09 0.00 2.13 2.08 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.62 7.81 163 F 8.54 4.05 0.00 3.16 3.29 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 0.00 164 F 8.57 4.24 0.00 3.21 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 0.00 165 L 8.16 3.87 0.00 1.61 1.75 0.22 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.79 4.44 0.00 2.67 2.54 0.00 0.00 6.67 6.56 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 *168 N 8.06 4.43 0.00 2.18 2.76 0.00 0.00 7.11 8.49 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 0.00 169 D 8.14 4.61 0.00 2.77 2.83 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 0.00 170 G 8.10 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 7.59 3.69 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.54 0.88 0.00 0.00 172 I 7.66 3.72 2.18 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 1.56 0.65 1.13 0.00 0.00 173 Q 8.22 3.85 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 174 N 8.36 4.44 0.00 3.07 3.00 0.00 0.00 6.96 7.74 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 0.00 175 A 7.85 4.08 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 0.00 176 L 7.60 3.93 0.00 1.52 1.15 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 7.60 4.04 0.00 2.05 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 0.00 0.00 0.00 0.00 178 F 7.02 5.20 0.00 3.16 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 0.00 179 D 8.57 4.64 0.00 2.90 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 E 8.68 3.91 0.00 2.06 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 2.39 2.39 0.00 181 E 8.14 3.95 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 182 K 8.02 4.00 0.00 1.89 1.81 0.00 1.79 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.97 1.25 7.81 183 A 8.29 4.20 1.45 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 0.00 184 D 8.14 4.29 0.00 2.78 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 0.00 185 V 7.72 3.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 186 S 8.07 4.17 0.00 3.93 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 0.00 187 G 8.11 3.63 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 0.00 188 L 8.09 4.00 0.00 1.87 1.71 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 189 A 8.45 4.00 1.35 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 0.00 0.00 0.00 190 E 8.36 3.99 0.00 2.23 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 2.51 2.53 0.00 191 S 8.36 4.20 0.00 4.07 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 0.00 192 A 8.28 4.20 1.44 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 0.00 193 K 8.45 4.10 0.00 2.18 2.10 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 194 L 8.20 4.05 0.00 2.02 1.88 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 8.35 4.13 0.00 3.29 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 0.00 196 L 8.46 3.77 0.00 2.29 2.12 1.36 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.52 3.34 0.00 1.85 1.95 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.13 7.81 198 T 7.67 3.78 4.26 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 1.16 0.00 0.00 199 V 7.67 3.53 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 0.29 0.00 0.00 0.85 0.00 0.00 200 L 7.77 4.06 0.00 1.56 1.23 0.66 0.20 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 0.00 201 Q 7.37 3.37 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 202 A 7.68 4.46 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 D 8.27 4.82 0.00 2.53 2.50 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 0.00 204 E 7.27 4.71 0.00 1.88 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 2.30 2.34 0.00 205 K 8.52 4.25 0.00 1.73 1.63 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.