NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 3.9952 8.2985 121.4272 56.0608 31.9229 177.2829 15 A 3.7772 7.9700 125.9983 54.5453 19.3937 177.9637 16 G 3.7507 8.8323 105.5098 49.0069 0.0000 173.4579 17 I 3.7203 7.1999 120.2122 63.6139 37.3270 177.4267 18 T 3.9115 7.7842 117.2557 62.5103 69.0000 175.0653 19 G 3.5891 7.2573 113.1010 45.5013 0.0000 170.5244 20 T 4.8802 7.4734 116.1438 61.5970 71.1036 173.9284 21 W 5.4146 9.0982 124.7520 55.1771 33.9365 173.8218 22 Y 5.7247 9.1791 119.5155 56.5863 41.7727 174.9844 23 N 5.9634 9.0216 120.8380 50.3451 40.0698 175.6126 24 Q 4.0569 8.6135 115.7750 58.7396 28.7667 177.2274 25 L 4.0957 8.0684 117.2900 55.7362 42.0333 177.7139 26 G 3.9060 8.3267 106.9230 45.1753 0.0000 173.8209 27 S 4.6483 8.2591 115.8321 58.5814 64.5890 173.1716 28 T 5.2660 8.7864 118.7258 61.8461 71.4681 172.9887 29 F 5.1217 9.3526 128.7371 56.4759 42.2683 173.5408 30 I 4.7913 8.6516 128.0970 59.3792 39.4997 175.2901 31 V 4.5800 8.3059 125.8069 60.0615 35.2907 174.3180 32 T 4.6911 8.8206 118.9108 61.6980 71.6101 172.7119 33 A 4.7118 8.6279 129.0653 50.2946 20.1423 177.0879 34 G 3.9228 9.3256 112.3231 44.5102 0.0000 174.4783 35 A 4.5125 8.7570 122.6823 54.1740 18.4936 178.4168 36 D 4.4695 8.0366 113.1313 53.7662 40.0437 177.1913 37 G 3.3026 8.3320 109.2385 44.8118 0.0000 173.1223 38 A 4.7367 8.1965 122.0233 51.5462 20.1304 176.6889 39 L 5.3158 8.9313 121.3235 53.1705 44.7539 175.8945 40 T 4.9526 9.0057 112.7085 59.4721 72.5374 174.3844 41 G 4.0092 7.3041 109.4681 46.5371 0.0000 171.3035 42 T 5.3058 7.9116 110.9804 60.2351 72.9104 172.8171 43 Y 5.1256 9.2745 123.6636 55.8696 42.5731 173.6021 44 E 5.3703 9.1789 127.1399 54.6470 32.4926 174.2551 45 S 5.1898 9.3510 122.0183 57.3433 63.1257 174.1259 46 A 4.2171 9.1248 129.9133 54.1007 18.4954 177.3432 47 V 4.3858 7.3192 107.4417 60.3099 35.7107 176.1129 48 G 3.5597 8.4219 108.6207 44.8287 0.0000 173.4919 49 N 4.5463 7.9639 114.6209 51.3664 37.2424 174.1493 50 A 4.9185 7.4741 121.5685 50.7330 22.6288 175.8620 51 E 4.7257 9.4540 118.8051 56.0368 32.9026 176.9899 52 S 3.7972 8.5044 115.4655 57.9502 61.9977 169.9244 53 R 4.9796 8.2727 116.8328 55.7243 31.4753 175.7194 54 Y 4.7734 9.0619 119.4914 55.7471 41.8659 175.3848 55 V 4.2702 8.6175 122.8311 63.1175 32.3571 175.0309 56 L 5.2358 8.9051 126.7974 54.4359 44.0006 175.1494 57 T 4.9193 8.5272 113.6151 61.3430 71.4548 173.4140 58 G 4.5380 8.6155 111.8059 46.4935 0.0000 172.1012 59 R 5.5828 8.7396 117.6528 54.9786 34.8921 174.0733 60 Y 5.2994 8.6758 118.6190 55.1910 42.0744 174.6531 61 D 4.2810 9.0688 120.5322 54.4042 40.6379 176.6743 62 S 4.3264 8.1563 120.5513 58.7299 63.9963 174.5613 63 A 4.6434 8.1804 123.5188 50.3627 18.6177 173.2948 64 P 5.1758 0.0000 0.0000 60.6019 33.0443 176.9570 65 A 4.2124 8.3445 121.5462 52.6544 18.7097 177.3953 66 T 4.5467 8.4590 109.7867 61.5680 69.1046 174.4391 67 D 4.7094 8.2327 119.3018 53.6438 39.5523 176.8022 68 G 3.9767 8.4832 106.4315 45.9414 0.0000 174.0073 69 S 4.5699 7.6034 115.2455 57.0164 64.0055 174.2312 70 G 4.1344 8.3645 109.8986 46.0892 0.0000 172.7694 71 T 4.8197 8.9761 117.0132 61.5827 70.2331 174.8451 72 A 4.8705 8.7217 129.1131 52.2562 19.9930 175.8170 73 L 5.0035 8.9281 119.7924 55.6055 44.5924 173.8964 74 G 4.6538 9.2435 105.5425 45.7628 0.0000 172.0308 75 W 5.7916 8.5861 116.8453 55.6856 32.3697 173.4371 76 T 5.2128 9.3145 116.7492 61.7938 72.0824 173.3035 77 V 4.6564 8.7202 124.4775 60.9428 34.3209 173.9578 78 A 4.5947 8.3560 129.6323 49.7977 20.1192 177.5762 79 W 4.2213 8.6481 125.4792 56.4549 28.8421 176.5441 80 K 5.2007 8.0235 118.5094 54.6790 34.4691 174.2930 81 N 4.9818 8.9718 123.1905 51.9723 39.9139 174.6774 82 N 4.5484 8.5028 117.5086 54.0003 38.4111 175.1810 83 Y 4.7240 8.0367 116.1884 58.0372 40.5312 175.6339 84 R 4.6253 7.6151 118.1743 55.3048 33.3898 173.1502 85 N 5.2860 8.5699 120.3032 52.2408 41.0587 173.8822 86 A 4.2976 9.0379 128.4363 51.8323 20.1362 176.0056 87 H 4.1597 8.5137 113.3481 55.8283 26.7012 173.2725 88 S 5.2055 7.4460 111.8316 57.9360 66.8723 174.5750 89 A 5.0576 9.1310 121.2311 50.9618 22.8024 175.3020 90 T 4.9489 8.8546 118.3788 61.7385 71.8492 173.3568 91 T 4.9146 8.4055 115.2692 59.6263 71.9688 172.7666 92 W 4.9365 8.6901 124.5137 54.8135 31.8055 174.6145 93 S 4.9837 8.6903 119.6114 56.7386 64.8637 173.1807 94 G 4.6159 8.5125 112.6917 46.6464 0.0000 171.6577 95 Q 5.3373 8.4638 117.9026 54.8566 32.2354 173.5555 96 Y 4.7375 9.2625 123.6203 56.8486 40.7634 174.1629 97 V 4.1242 8.5586 127.1054 61.2134 33.7936 175.2506 98 G 3.9785 7.9718 116.8784 44.5853 0.0000 170.9532 99 G 3.8834 8.8748 104.8245 44.1917 0.0000 174.3028 100 A 4.1517 8.3574 120.3294 54.1270 18.8177 177.8466 101 E 4.6281 7.2064 114.0991 54.4160 29.1660 175.4194 102 A 4.4917 7.6535 123.0159 52.0837 20.4667 177.4903 103 R 5.2972 9.0960 118.9436 54.6493 35.2565 174.4065 104 I 5.0349 9.0960 122.6075 59.8412 40.2027 174.1452 105 N 5.5241 9.2346 125.6309 51.8726 40.5296 174.4264 106 T 5.3431 9.0583 113.0003 60.2067 73.0396 172.7153 107 Q 5.0794 9.0077 120.9808 53.9789 32.5994 174.6785 108 W 5.4907 8.4530 117.8040 54.8361 32.4348 173.7685 109 L 5.1710 8.7850 120.3615 52.9851 44.7984 175.2554 110 L 4.9224 9.3227 127.0044 53.8276 44.0578 174.8567 111 T 4.9642 8.7791 124.3347 62.1525 70.5158 174.2315 112 S 5.0113 8.8408 123.2415 56.7154 64.6649 174.5745 113 G 3.8933 8.7954 112.0572 46.8206 0.0000 172.9155 114 T 4.7948 8.2599 113.1320 59.5209 72.5363 173.2546 115 T 4.3144 8.0748 111.8157 61.0380 70.0525 175.3505 116 E 3.9755 8.8292 121.2264 59.6676 29.1835 179.5615 117 A 4.2029 7.4653 117.6676 54.2988 18.6992 178.3344 118 N 4.7037 7.7835 112.7623 53.2878 39.0626 176.7534 119 A 4.2495 8.1467 125.9535 54.0554 18.1723 180.0231 120 W 4.2719 8.3523 113.9855 58.5865 28.3394 176.8557 121 K 4.0724 6.6266 117.6110 56.1227 32.1307 177.4996 122 S 4.1703 7.7875 116.7113 61.0099 63.4470 173.4963 123 T 5.0812 7.5359 117.0920 61.6871 71.0771 173.5184 124 L 4.7597 8.9460 126.9357 53.4643 43.9792 176.0397 125 V 4.4112 7.8070 120.5655 60.3451 34.4343 175.2263 126 G 3.1378 6.3031 107.8331 45.8223 0.0000 171.0495 127 H 5.3483 8.0640 114.3089 54.1355 31.6358 172.6577 128 D 5.2891 9.2249 120.8762 52.8864 45.1412 174.6128 129 T 5.1616 8.9907 118.8762 61.9268 71.3906 173.0663 130 F 5.5034 9.6828 125.7151 56.2684 41.7962 174.7989 131 T 5.1568 9.1703 119.8640 61.6768 71.1018 173.5681 132 K 3.5475 8.1066 127.2748 55.7329 33.0071 176.3018 133 V 4.2746 7.9099 123.3995 60.1415 33.4521 176.7899 *134 K 4.1178 8.2802 126.1367 55.0339 32.3742 171.8486 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 14 E 8.30 4.00 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 15 A 7.97 3.78 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 16 G 8.83 3.75 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 0.00 0.00 0.00 17 I 7.20 3.72 1.28 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.47 0.00 0.00 18 T 7.78 3.91 4.16 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 1.10 0.00 0.00 19 G 7.26 3.59 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 0.00 0.00 0.00 20 T 7.47 4.88 3.91 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 0.00 0.00 0.77 0.00 0.00 21 W 9.10 5.41 0.00 3.28 3.33 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 22 Y 9.18 5.72 0.00 2.95 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 23 N 9.02 5.96 0.00 2.51 1.77 0.00 0.00 6.62 7.73 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 24 Q 8.61 4.06 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.07 4.10 0.00 1.89 1.81 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.33 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.26 4.65 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.79 5.27 4.32 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 1.27 0.00 0.00 29 F 9.35 5.12 0.00 2.57 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 30 I 8.65 4.79 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.78 0.00 0.00 31 V 8.31 4.58 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 0.00 0.00 0.06 0.00 0.00 0.52 0.00 0.00 32 T 8.82 4.69 4.15 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 1.14 0.00 0.00 33 A 8.63 4.71 0.64 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 34 G 9.33 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.76 4.51 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 36 D 8.04 4.47 0.00 2.77 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 37 G 8.33 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 0.00 0.00 0.00 38 A 8.20 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.93 5.32 0.00 1.65 1.49 1.11 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.01 4.95 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 1.21 0.00 0.00 41 G 7.30 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 42 T 7.91 5.31 4.31 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 1.22 0.00 0.00 43 Y 9.27 5.13 0.00 3.04 2.88 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 44 E 9.18 5.37 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 45 S 9.35 5.19 0.00 4.23 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 46 A 9.12 4.22 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 47 V 7.32 4.39 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 0.72 0.00 0.00 0.86 0.00 0.00 48 G 8.42 3.56 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 0.00 49 N 7.96 4.55 0.00 2.58 2.61 0.00 0.00 6.59 7.96 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 50 A 7.47 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.45 4.73 0.00 2.08 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 2.36 2.31 0.00 52 S 8.50 3.80 0.00 3.87 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 53 R 8.27 4.98 0.00 1.75 1.89 0.00 3.21 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 Y 9.06 4.77 0.00 2.89 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 55 V 8.62 4.27 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.91 5.24 0.00 2.04 1.80 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.53 4.92 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 1.26 0.00 0.00 58 G 8.62 4.54 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 0.00 59 R 8.74 5.58 0.00 1.77 1.79 0.00 3.28 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.68 5.30 0.00 3.06 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 61 D 9.07 4.28 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.16 4.33 0.00 3.86 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 63 A 8.18 4.64 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 5.18 0.00 2.28 2.19 0.00 3.44 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.34 4.21 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 66 T 8.46 4.55 4.27 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 1.24 0.00 0.00 67 D 8.23 4.71 0.00 2.79 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 68 G 8.48 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 0.00 0.00 0.00 69 S 7.60 4.57 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.36 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.98 4.82 4.56 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 1.45 0.00 0.00 72 A 8.72 4.87 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 73 L 8.93 5.00 0.00 2.11 1.95 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.24 4.65 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 0.00 75 W 8.59 5.79 0.00 3.54 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 76 T 9.31 5.21 4.29 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 1.18 0.00 0.00 77 V 8.72 4.66 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 -0.53 0.00 0.00 0.82 0.00 0.00 78 A 8.36 4.59 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 79 W 8.65 4.22 0.00 3.31 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.02 5.20 0.00 1.91 1.74 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 N 8.97 4.98 0.00 2.74 2.50 0.00 0.00 6.58 6.48 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 82 N 8.50 4.55 0.00 1.97 2.36 0.00 0.00 6.56 7.46 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 83 Y 8.04 4.72 0.00 3.02 2.95 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 84 R 7.62 4.63 0.00 2.06 1.96 0.00 3.23 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 85 N 8.57 5.29 0.00 2.68 2.57 0.00 0.00 6.93 7.96 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 86 A 9.04 4.30 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 87 H 8.51 4.16 0.00 3.37 3.34 0.00 5.66 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 88 S 7.45 5.21 0.00 4.00 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 89 A 9.13 5.06 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 90 T 8.85 4.95 3.67 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 -0.35 0.00 0.00 91 T 8.41 4.91 4.16 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 1.16 0.00 0.00 92 W 8.69 4.94 0.00 1.78 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.69 4.98 0.00 3.80 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 94 G 8.51 4.62 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 0.00 0.00 0.00 95 Q 8.46 5.34 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.26 4.74 0.00 3.06 2.91 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 0.00 0.00 0.00 97 V 8.56 4.12 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 0.86 0.00 0.00 0.93 0.00 0.00 98 G 7.97 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 0.00 0.00 0.00 99 G 8.87 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 0.00 0.00 0.00 100 A 8.36 4.15 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 0.00 101 E 7.21 4.63 0.00 2.00 1.89 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 2.23 2.21 0.00 102 A 7.65 4.49 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.10 5.30 0.00 1.79 1.94 0.00 3.40 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 104 I 9.10 5.03 1.73 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.18 1.08 0.00 0.00 105 N 9.23 5.52 0.00 2.73 2.81 0.00 0.00 6.06 6.57 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 0.00 106 T 9.06 5.34 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 1.48 0.00 0.00 107 Q 9.01 5.08 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 108 W 8.45 5.49 0.00 2.58 2.34 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 0.00 109 L 8.79 5.17 0.00 1.52 1.54 0.88 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.32 4.92 0.00 1.54 1.68 0.90 0.30 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 0.00 111 T 8.78 4.96 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 1.19 0.00 0.00 112 S 8.84 5.01 0.00 3.66 3.75 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 0.00 113 G 8.80 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.26 4.79 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 115 T 8.07 4.31 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 0.00 116 E 8.83 3.98 0.00 2.05 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 2.41 2.39 0.00 117 A 7.47 4.20 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 0.00 118 N 7.78 4.70 0.00 2.71 2.68 0.00 0.00 6.73 7.21 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 0.00 119 A 8.15 4.25 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 0.00 120 W 8.35 4.27 0.00 3.57 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 0.00 121 K 6.63 4.07 0.00 1.12 0.74 0.00 1.16 0.00 0.00 0.97 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.73 7.81 122 S 7.79 4.17 0.00 4.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.54 5.08 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 1.24 0.00 0.00 124 L 8.95 4.76 0.00 1.79 1.74 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.81 4.41 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 0.54 0.00 0.00 0.63 0.00 0.00 126 G 6.30 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.06 5.35 0.00 3.16 3.11 0.00 5.67 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 0.00 128 D 9.22 5.29 0.00 2.98 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 0.00 0.00 0.00 0.00 129 T 8.99 5.16 4.30 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 1.37 0.00 0.00 130 F 9.68 5.50 0.00 3.15 3.38 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 0.00 131 T 9.17 5.16 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 1.28 0.00 0.00 132 K 8.11 3.55 0.00 0.79 1.10 0.00 1.21 0.00 0.00 1.35 0.00 0.00 2.61 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.71 0.21 7.81 133 V 7.91 4.27 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 0.73 0.00 0.00 0.47 0.00 0.00 *134 K 8.28 4.12 0.00 1.73 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.27 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.