NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.3385 8.2649 123.5783 51.5042 20.8676 177.0273 13 E 4.4540 7.5379 115.8545 51.5338 29.5130 173.6600 14 P 4.2191 0.0000 0.0000 65.4555 33.1444 178.7714 15 I 3.3202 7.6230 119.4934 63.9720 37.2957 178.2470 16 E 4.4405 7.8395 119.8258 56.4190 28.8375 179.1095 *18 L 4.0820 8.1422 119.9412 55.0403 43.7002 179.0866 19 Y 4.2697 7.7469 115.8875 60.9686 37.7830 178.6054 20 A 4.0186 8.3551 121.9876 55.4086 18.4200 179.4350 21 C 4.1112 8.0397 114.6946 63.3874 28.1816 175.8692 22 H 4.3006 8.5149 117.8880 58.8179 28.2656 177.9613 23 G 3.6258 8.2361 107.5897 47.7770 0.0000 175.9412 24 K 3.4872 7.6563 120.3709 58.8558 31.9360 179.5716 25 V 3.4237 7.6603 118.7179 66.1080 31.3450 178.3467 26 R 3.9124 8.2161 118.1152 58.9921 29.8526 178.9201 27 R 3.7284 7.7865 118.4660 59.6184 29.9868 178.6985 28 F 4.5643 7.9624 117.6792 60.8141 38.8059 177.5018 29 C 4.5013 8.8846 117.1282 62.8667 27.6827 176.3825 30 G 3.6417 8.1845 106.6187 47.8324 0.0000 175.5623 31 Q 4.1575 7.8899 119.5674 58.8070 28.8727 178.3935 32 V 3.6660 8.1171 118.3030 65.7259 31.5808 178.6918 33 A 4.2554 8.0233 118.7939 52.1872 18.4902 178.5604 *35 L 4.3650 7.8927 121.9535 56.6346 43.9923 179.1957 36 S 4.2899 8.4984 112.0391 62.0190 62.1808 176.0172 37 D 4.4244 8.1760 120.7611 57.2910 40.5854 177.9454 38 Y 3.9035 8.0691 119.6613 60.8232 38.8105 178.1026 39 I 4.0730 8.7716 122.2612 63.7314 36.9633 178.2225 40 A 3.9830 7.9271 120.6758 55.3167 18.3140 179.3117 41 E 4.0062 8.0887 115.7163 58.8586 29.6957 178.3729 42 N 4.7656 8.2076 113.1770 51.2649 40.0892 175.8828 43 G 4.0440 8.0471 106.2888 45.3923 0.0000 173.0841 44 C 4.6577 8.1775 120.0823 58.3953 29.9522 173.0238 45 N 4.8558 7.9140 122.9083 51.4042 40.8432 175.4385 46 Q 4.0541 8.5269 117.8445 59.1083 28.6402 178.7623 47 I 3.6359 7.8217 120.6076 64.3126 37.1488 178.2197 48 V 3.4455 8.3163 119.1582 66.1646 31.3339 178.1060 49 L 3.9378 7.9451 118.5315 57.8334 41.5409 179.5824 50 Q 3.9857 8.3617 118.3769 59.0803 28.6023 178.9081 51 T 3.8528 7.9732 117.1013 66.6107 68.4642 176.9533 52 I 3.1930 7.8288 115.3541 63.4503 37.4043 178.2043 53 R 3.8540 7.8241 120.6798 59.4905 30.0408 178.5947 54 Q 3.9783 7.9292 117.4055 58.8446 28.6536 178.5926 55 I 2.6590 7.7275 120.6367 64.0976 37.1742 178.3550 56 A 4.4071 8.4438 121.7536 55.2353 18.3389 179.3432 57 Q 3.8953 8.1530 118.1175 59.4364 29.0756 178.0635 58 Y 3.5576 7.4621 119.8834 60.7214 38.6754 177.9087 59 F 3.9612 7.5015 116.4206 59.4268 38.9249 177.2209 60 N 4.7257 8.3174 116.2123 54.9441 38.5938 175.5418 61 V 4.1180 7.3444 110.1929 62.6939 34.2369 177.9084 62 A 3.6346 7.4650 120.5577 54.8205 18.0623 179.3307 63 A 3.6058 7.3488 119.6315 54.7844 18.4050 178.0988 64 P 4.1539 0.0000 0.0000 65.6490 31.2769 178.8431 65 L 3.9533 7.4026 117.5442 57.7679 41.4581 178.9084 66 H 4.2689 8.2419 118.3267 59.6994 29.7569 177.0995 67 H 4.2287 8.3759 118.2287 58.7754 28.4993 177.4254 68 E 3.9365 8.3720 121.3312 59.2652 29.3710 178.4008 69 D 4.3448 8.2424 119.1152 57.5273 40.9061 178.9165 70 E 3.5716 7.9275 118.7021 59.3664 29.2137 179.3427 71 E 4.1922 8.0793 117.3734 59.4303 29.6533 178.8153 72 E 4.2765 8.6294 117.7661 58.0028 29.8756 176.6724 73 N 4.8453 7.8177 113.0702 54.6565 41.4205 176.4145 74 F 4.2266 8.5688 119.7724 61.3502 39.5086 177.3026 75 F 4.3515 8.4547 117.7927 60.2937 38.6536 175.9590 76 P 4.2916 0.0000 0.0000 65.3405 31.1317 178.5047 77 L 3.9901 7.7172 119.4541 57.8962 41.9659 178.4202 78 L 3.9012 7.9417 120.7875 58.5035 41.6943 179.1901 79 L 3.9548 7.8098 116.9496 57.5661 41.5381 179.1700 80 Q 3.9418 7.6937 117.2947 58.2193 28.6007 177.2582 81 Y 4.3307 7.3332 114.8835 57.5707 41.0966 176.0830 82 A 4.6096 8.4077 121.9830 48.0333 19.2542 174.8770 83 P 4.3386 0.0000 0.0000 64.2753 31.6985 178.4673 84 Q 3.9996 8.0073 117.3619 58.9761 28.3230 177.4924 85 A 4.2329 7.9360 121.2276 52.6028 18.4288 178.6281 86 Q 3.7797 7.9238 119.5957 59.3250 29.1078 178.3050 87 E 3.8899 8.0974 118.7301 59.5749 29.4679 179.5195 88 S 3.9774 7.8576 114.4123 61.5182 62.9144 176.6271 89 V 2.8753 7.9420 121.1616 66.0255 31.1879 177.7374 90 D 4.2661 8.1003 118.6000 57.3293 40.5146 178.5188 91 E 3.9186 8.1060 119.8641 59.0675 29.6303 178.7085 92 L 3.9595 8.1208 119.5227 57.8100 41.4268 179.5331 93 L 3.9908 7.8964 118.1497 57.8714 41.8018 179.4177 94 R 4.0672 8.0095 118.0021 59.4514 29.7207 179.1954 95 Q 4.0192 8.3956 118.0981 59.0828 28.6476 178.3522 96 H 4.0362 8.1790 117.4681 58.7709 28.6014 177.8344 97 I 3.8093 7.6699 121.5192 64.3452 36.9386 178.7142 98 G 3.5793 7.8925 106.0799 47.6665 0.0000 175.5263 99 L 3.9011 8.2760 121.6987 57.9341 41.5457 179.3564 100 H 4.5283 8.2898 116.1115 59.0758 28.5483 177.6515 101 D 4.4042 8.4095 120.7789 57.5085 40.7615 178.6394 102 N 4.4470 8.7648 117.5112 56.0157 38.5837 177.3200 103 W 4.2140 8.8479 129.8940 60.3915 30.8171 177.8011 104 A 3.6008 8.2611 120.6234 54.9056 17.8665 179.5275 105 A 3.7363 7.6179 119.0072 55.1426 18.3728 180.0670 106 V 3.1827 7.1726 116.5061 65.8878 31.4737 177.8769 107 S 3.1531 6.6431 112.8161 61.2345 61.9358 176.2126 108 A 3.8527 7.4864 123.0694 55.0845 18.0707 179.4908 109 E 4.0026 7.7990 116.8045 59.5604 29.4876 179.5522 110 F 4.5855 8.4819 118.0998 60.6694 38.9505 177.5880 111 A 4.0438 8.3046 120.5084 54.9627 18.1473 179.8424 112 K 3.6846 8.0168 117.0715 59.5195 31.7852 179.5236 113 L 4.3205 7.9071 118.0487 58.0360 41.6392 179.1983 114 E 4.1105 8.2946 117.4070 59.1895 29.4603 178.8185 115 A 4.4944 7.8930 119.8096 53.2918 19.2451 176.9922 116 D 4.4272 8.0432 117.0786 53.2554 42.1531 175.2397 117 N 4.6819 8.7215 123.0613 54.6634 38.7867 176.0023 118 A 4.4023 7.9787 120.2741 52.3251 19.3790 177.0871 119 Y 4.1615 7.9937 118.2926 57.3340 39.3025 175.3963 120 V 3.7979 7.6221 127.0962 60.6600 31.8809 173.8317 121 P 4.1209 0.0000 0.0000 61.8842 32.5440 175.7879 122 D 4.3170 8.7462 119.7048 53.1372 40.3959 176.3745 123 E 3.8359 8.5739 128.7076 59.3608 29.4423 178.1221 124 E 3.9604 8.4171 119.1402 58.8972 29.7520 178.6004 125 A 3.9855 7.9644 120.7286 55.0833 18.4258 179.6586 126 F 4.5478 7.8431 115.7471 60.8206 39.0517 177.8995 127 K 4.1220 8.6326 118.5584 59.5391 31.8306 179.3523 128 R 3.9197 8.4822 119.3743 59.3610 30.0764 178.3690 129 F 4.1869 8.3435 120.1359 61.3742 39.4256 177.3357 130 V 3.5998 8.2441 117.7149 65.9930 31.2663 177.8967 131 A 4.1257 8.4864 120.9519 54.9331 18.2074 179.8118 132 G 3.4452 8.2667 104.4903 48.2565 0.0000 175.6161 133 Y 3.9274 7.6501 118.6632 60.5391 37.9458 178.0608 134 D 4.3923 8.2772 120.1081 57.3517 40.6849 178.9540 135 V 3.5816 8.0430 118.9423 66.2288 31.4530 177.5880 136 H 4.4100 8.1435 119.1501 58.9248 29.7131 177.2980 137 L 3.9359 8.4923 121.0115 57.6436 41.1604 179.3480 138 A 3.9843 7.7138 119.7412 55.1856 18.3479 179.4175 139 I 3.8491 7.2469 117.3179 64.1993 37.5266 177.8613 140 E 4.0066 8.2769 120.5129 59.0526 29.5382 178.5534 141 E 3.2019 8.1738 118.8222 58.6679 28.9980 177.4382 142 P 4.3813 0.0000 0.0000 65.5718 31.0955 178.4604 143 L 3.9987 7.8306 117.1382 57.4382 41.8475 179.0640 144 F 4.7659 8.0435 118.1370 60.5348 38.7903 178.2350 145 D 4.7878 7.9418 117.3167 54.5273 40.5477 178.7542 *147 G 4.2129 8.1009 110.4006 45.9081 0.0000 175.7492 148 N 4.3698 8.3977 116.6558 56.4548 38.8529 176.8139 149 T 3.8342 8.0941 114.0536 66.0042 68.4648 175.3591 150 F 4.8955 8.0135 116.5798 57.5456 41.0726 175.7114 151 I 3.7422 7.8117 122.0006 59.2009 38.0922 174.5979 152 P 4.1872 0.0000 0.0000 62.5085 32.9070 177.3285 153 K 3.8734 8.6075 122.2919 59.9199 32.1952 179.0521 154 E 3.9728 8.0833 118.1607 59.1523 29.5006 179.3226 155 K 4.0325 7.9069 118.3668 59.2757 32.0908 179.2240 156 L 4.0292 7.8587 119.1581 58.0821 41.5872 179.4428 157 T 3.8495 8.0812 115.8390 66.6732 68.1479 176.1015 158 E 4.1104 7.9133 120.1690 59.3945 29.6573 178.7493 159 I 3.9990 7.8539 112.9033 63.7152 37.4354 178.2354 160 G 3.7353 8.2581 107.4094 47.7754 0.0000 175.1534 161 E 4.1968 8.0552 120.2214 59.1728 29.4444 180.3058 162 I 3.5493 7.2719 115.8147 61.7662 36.8419 177.8311 *164 A 4.1923 8.1877 125.3139 52.2207 20.4049 179.8183 165 A 4.0050 7.9490 117.5573 55.2547 18.1228 179.6205 166 R 3.8031 7.8117 116.3753 59.6505 30.0718 178.3322 167 R 4.1369 7.7139 115.5855 57.8698 30.2879 178.0403 168 R 4.2263 8.8668 117.1588 56.5612 30.6869 176.1952 169 K 3.9890 8.1872 123.2408 55.8854 32.8330 174.2019 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 12 A 8.26 4.34 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 13 E 7.54 4.45 0.00 2.10 1.83 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 2.38 2.40 0.00 14 P 0.00 4.22 0.00 2.09 2.14 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 15 I 7.62 3.32 1.81 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.68 0.00 0.00 16 E 7.84 4.44 0.00 2.11 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 2.37 2.29 0.00 *18 L 8.14 4.08 0.00 0.70 0.72 -0.45 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.75 4.27 0.00 3.22 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 20 A 8.36 4.02 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 21 C 8.04 4.11 0.00 3.04 2.94 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 22 H 8.51 4.30 0.00 3.55 3.52 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.24 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 24 K 7.66 3.49 0.00 1.58 1.00 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 1.24 7.81 25 V 7.66 3.42 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 0.52 0.00 0.00 0.87 0.00 0.00 26 R 8.22 3.91 0.00 1.82 1.93 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 27 R 7.79 3.73 0.00 1.60 1.52 0.00 2.88 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.46 0.00 28 F 7.96 4.56 0.00 3.21 3.27 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 29 C 8.88 4.50 0.00 3.19 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 30 G 8.18 3.64 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 0.00 0.00 0.00 31 Q 7.89 4.16 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 32 V 8.12 3.67 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 0.88 0.00 0.00 1.16 0.00 0.00 33 A 8.02 4.26 1.42 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 0.00 0.00 0.00 *35 L 7.89 4.36 0.00 1.57 1.73 0.55 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.50 4.29 0.00 4.17 4.02 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 37 D 8.18 4.42 0.00 2.81 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 38 Y 8.07 3.90 0.00 3.15 2.97 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 39 I 8.77 4.07 2.06 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.98 0.00 0.00 40 A 7.93 3.98 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 41 E 8.09 4.01 0.00 1.85 1.87 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 2.29 2.51 0.00 42 N 8.21 4.77 0.00 2.14 2.59 0.00 0.00 7.20 7.32 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 43 G 8.05 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 0.00 0.00 0.00 0.00 44 C 8.18 4.66 0.00 3.03 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 45 N 7.91 4.86 0.00 3.09 3.03 0.00 0.00 6.13 7.28 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 46 Q 8.53 4.05 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 47 I 7.82 3.64 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.72 0.00 0.00 48 V 8.32 3.45 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 1.09 0.00 0.00 1.12 0.00 0.00 49 L 7.95 3.94 0.00 1.73 1.68 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.36 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 51 T 7.97 3.85 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 1.18 0.00 0.00 52 I 7.83 3.19 0.56 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 1.43 0.30 0.18 0.00 0.00 53 R 7.82 3.85 0.00 1.96 2.12 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 54 Q 7.93 3.98 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 55 I 7.73 2.66 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 1.26 0.00 0.00 56 A 8.44 4.41 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.15 3.90 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 58 Y 7.46 3.56 0.00 2.83 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 59 F 7.50 3.96 0.00 1.51 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 60 N 8.32 4.73 0.00 2.84 2.97 0.00 0.00 6.76 7.53 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 61 V 7.34 4.12 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 0.79 0.00 0.00 0.92 0.00 0.00 62 A 7.47 3.63 0.55 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.35 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.15 0.00 2.11 2.09 0.00 3.51 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 2.21 2.15 0.00 65 L 7.40 3.95 0.00 1.87 1.65 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.24 4.27 0.00 3.20 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.38 4.23 0.00 3.40 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.37 3.94 0.00 2.16 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 2.31 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1.10 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.94 3.90 0.00 1.05 1.60 1.01 0.63 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 79 L 7.81 3.95 0.00 1.75 1.66 0.88 0.75 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 80 Q 7.69 3.94 0.00 2.07 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 81 Y 7.33 4.33 0.00 3.19 3.28 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 0.00 82 A 8.41 4.61 1.16 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 0.00 0.00 83 P 0.00 4.34 0.00 2.19 2.23 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 84 Q 8.01 4.00 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 85 A 7.94 4.23 1.33 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 0.00 0.00 0.00 86 Q 7.92 3.78 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 87 E 8.10 3.89 0.00 2.00 1.94 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 2.36 2.37 0.00 88 S 7.86 3.98 0.00 3.89 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 89 V 7.94 2.88 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 0.80 0.00 0.00 0.52 0.00 0.00 90 D 8.10 4.27 0.00 2.78 2.65 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 91 E 8.11 3.92 0.00 2.04 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 2.26 2.34 0.00 92 L 8.12 3.96 0.00 1.51 1.72 0.73 0.24 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 93 L 7.90 3.99 0.00 1.74 1.77 0.97 1.32 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 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3.15 0.00 0.00 6.68 7.41 0.00 0.00 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 W 8.85 4.21 0.00 3.69 3.43 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 0.00 104 A 8.26 3.60 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 0.00 105 A 7.62 3.74 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 0.00 106 V 7.17 3.18 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 0.09 0.00 0.00 0.74 0.00 0.00 107 S 6.64 3.15 0.00 2.72 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 0.00 108 A 7.49 3.85 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 0.00 109 E 7.80 4.00 0.00 2.27 2.21 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 2.43 2.24 0.00 110 F 8.48 4.59 0.00 3.15 3.07 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 0.00 111 A 8.30 4.04 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 0.00 112 K 8.02 3.68 0.00 1.46 0.74 0.00 1.32 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.30 1.06 7.81 113 L 7.91 4.32 0.00 1.93 1.85 1.22 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.29 4.11 0.00 2.10 2.03 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 2.35 2.54 0.00 115 A 7.89 4.49 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 0.00 116 D 8.04 4.43 0.00 2.72 2.65 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 0.00 117 N 8.72 4.68 0.00 2.79 2.90 0.00 0.00 7.09 7.35 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 0.00 118 A 7.98 4.40 1.38 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 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0.00 127 K 8.63 4.12 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.74 7.81 128 R 8.48 3.92 0.00 1.97 2.18 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 129 F 8.34 4.19 0.00 3.35 3.40 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 0.00 130 V 8.24 3.60 2.21 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 1.03 0.00 0.00 1.25 0.00 0.00 131 A 8.49 4.13 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 0.00 132 G 8.27 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 0.00 133 Y 7.65 3.93 0.00 2.91 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 0.00 134 D 8.28 4.39 0.00 2.90 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 0.00 135 V 8.04 3.58 2.20 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.04 4.77 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 0.00 145 D 7.94 4.79 0.00 2.83 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 *147 G 8.10 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 0.00 148 N 8.40 4.37 0.00 3.00 2.94 0.00 0.00 7.11 6.94 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 0.00 149 T 8.09 3.83 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 0.05 0.00 0.00 150 F 8.01 4.90 0.00 3.09 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 0.00 151 I 7.81 3.74 1.98 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 1.38 0.61 0.79 0.00 0.00 152 P 0.00 4.19 0.00 1.96 1.86 0.00 2.61 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 153 K 8.61 3.87 0.00 1.76 1.79 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 154 E 8.08 3.97 0.00 2.08 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 2.45 0.00 155 K 7.91 4.03 0.00 1.82 1.85 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.38 7.81 156 L 7.86 4.03 0.00 1.90 1.72 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.08 3.85 4.39 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 1.21 0.00 0.00 158 E 7.91 4.11 0.00 2.00 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 0.00 2.34 2.33 0.00 159 I 7.85 4.00 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.80 0.95 0.00 0.00 160 G 8.26 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 0.00 0.00 0.00 161 E 8.06 4.20 0.00 2.19 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 2.32 2.48 0.00 162 I 7.27 3.55 2.00 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 1.23 0.71 0.91 0.00 0.00 *164 A 8.19 4.19 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 A 7.95 4.00 1.33 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 0.00 0.00 0.00 166 R 7.81 3.80 0.00 1.82 1.97 0.00 3.46 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 167 R 7.71 4.14 0.00 1.99 1.95 0.00 3.22 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 168 R 8.87 4.23 0.00 1.86 1.97 0.00 3.17 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 169 K 8.19 3.99 0.00 1.80 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.17 7.81 * Residues marked with a * may have inaccurate shift predictions.