NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 4.0591 7.9127 120.3911 62.6804 32.5223 176.9410 11 S 3.9377 9.1800 116.0540 60.8391 62.7491 172.2752 12 D 4.2495 8.7817 121.9817 57.4408 41.2168 177.8595 13 L 3.9641 7.8005 118.7641 57.6618 41.4207 178.9225 14 D 4.3729 8.0625 118.3749 57.1979 41.0162 178.2565 15 W 4.2256 8.4626 128.9242 60.4127 30.7361 179.8313 16 L 4.3814 7.5846 119.2888 54.5264 40.9929 179.7018 *18 S 3.8822 8.1584 115.6501 58.5622 65.0567 176.4406 19 G 3.7988 7.9153 107.1783 47.9440 0.0000 175.2679 20 L 3.8977 7.8012 122.7079 57.7992 41.9276 179.1506 21 V 3.9175 7.4845 117.6019 65.6233 31.5539 177.4784 22 Q 4.0738 8.1523 117.1148 59.0704 28.6375 178.7898 23 R 4.3224 8.0145 117.7446 57.0544 30.8002 176.6833 24 V 4.1829 7.3232 118.4900 59.5922 31.8163 172.1510 25 P 4.1696 0.0000 0.0000 64.4911 31.7364 176.7841 26 H 4.3750 8.9418 118.1421 55.8376 27.0332 175.1278 27 T 4.5808 7.5797 110.2175 61.6261 69.7565 175.0470 28 T 4.6788 8.6430 112.6260 62.1737 71.7135 173.5081 29 S 5.0124 7.7984 114.2827 57.5430 66.4749 173.7200 30 A 5.0804 8.9418 122.4668 50.6342 22.5146 175.2336 31 V 4.7533 9.2354 123.0601 60.9588 34.9532 173.8908 32 L 5.1337 8.8927 130.2190 53.5090 43.8429 175.0413 33 L 5.3967 9.1984 126.3425 53.5390 44.1837 176.2208 34 S 4.6292 8.9623 115.9255 58.5391 63.7211 175.2609 35 C 3.9758 8.9818 120.2602 62.8002 28.0046 174.5654 36 D 4.6472 8.0677 117.2812 53.4592 38.8139 176.4331 37 G 3.8509 8.2643 106.6199 46.7268 0.0000 173.5544 38 L 4.6468 7.8969 119.5269 52.0112 43.5462 176.5284 39 V 3.9283 8.3355 122.9579 63.2665 31.9830 175.4070 40 K 4.5900 8.7888 126.7611 57.7969 33.9478 176.6251 41 S 4.8437 7.7087 111.3566 57.7166 65.7736 174.9395 42 V 4.9841 8.5338 119.7309 60.6912 34.6430 173.3191 43 H 4.7214 9.6146 123.2539 55.6843 32.4157 174.3478 44 G 3.9858 9.1194 112.9400 46.1586 0.0000 172.7542 45 L 4.7567 7.1783 118.7033 51.9310 44.8533 176.6646 46 D 4.5592 8.4532 122.3588 53.0712 41.1931 175.9405 47 P 4.2741 0.0000 0.0000 65.6371 31.3666 178.9063 48 D 4.3054 8.0027 117.3775 57.6354 40.7001 178.7952 49 S 4.2351 8.0373 113.5688 61.5048 62.8220 176.3745 50 A 4.1498 7.9467 122.8976 55.2346 18.4186 179.1189 51 D 4.4936 7.9850 117.1488 57.5448 40.7945 178.7361 52 H 4.2350 7.8309 113.8103 56.3395 28.5510 177.1320 *54 A 4.2674 8.0264 125.9645 52.3091 20.7527 179.8719 55 A 3.9683 8.1559 117.4447 55.3772 18.4009 179.8847 56 L 3.9371 8.4767 117.5483 57.9511 41.6493 179.6738 57 A 4.0417 8.0182 120.4691 55.2101 18.3175 179.6444 58 S 4.3078 8.3678 112.7151 61.0322 63.1172 177.1274 59 G 3.5644 7.9725 109.7024 47.7388 0.0000 175.6907 60 L 4.0215 8.1445 122.1571 57.5580 41.6675 179.0219 61 Y 4.0269 8.3616 119.6413 60.8267 38.8053 178.0274 62 S 3.9454 8.4889 114.3505 61.3763 62.4531 176.2112 63 L 4.0823 8.0964 121.8023 57.6595 41.3988 179.5763 64 G 3.5973 8.2624 105.9992 47.6687 0.0000 175.7361 65 R 3.6726 8.1495 121.1643 59.2216 30.1673 178.5201 66 S 4.0311 7.9351 114.7498 61.7486 62.8837 176.6414 67 A 4.2619 8.1768 123.2334 55.1315 18.0928 179.8106 68 G 3.5805 8.0837 104.1071 48.2229 0.0000 175.7896 69 I 3.6510 7.5792 121.3741 63.9628 37.1385 178.2756 70 R 3.8826 7.5256 117.3138 57.8108 30.2285 177.4396 71 F 4.8125 8.2848 115.0086 57.5113 40.8538 176.0438 72 G 4.0082 8.4231 110.0787 44.8612 0.0000 172.6740 73 D 4.8681 8.6226 115.7953 52.2457 39.3185 174.5975 74 G 3.7652 8.5372 112.9358 46.9332 0.0000 174.6761 75 G 3.7565 7.7179 109.0417 44.5592 0.0000 172.3029 76 D 4.6947 8.2564 119.7405 52.3541 42.3663 176.2233 77 V 3.7477 8.1556 121.4154 62.5348 31.8409 176.0890 78 R 4.4390 8.5437 120.8414 58.3511 31.8009 175.9868 79 Q 5.0722 7.6579 115.5753 55.1598 32.2387 173.5046 80 V 4.4669 8.9891 124.9440 61.0296 34.5643 174.1526 81 V 4.5571 8.4371 127.2661 60.9718 33.7446 174.4220 82 V 4.1903 8.7349 128.2601 61.1567 33.4664 173.7221 83 E 4.6199 8.7055 129.3753 54.7829 30.6422 175.2066 84 L 4.6059 8.5021 127.8745 52.7389 44.2254 176.3549 85 D 4.5772 8.8049 119.1674 57.7412 40.7143 178.3098 86 S 4.9033 8.0161 109.7551 57.9490 64.8970 172.6316 87 T 5.1534 7.6161 109.9869 60.9160 72.7198 172.1521 88 L 5.1774 9.4158 120.8208 52.8148 46.2809 175.5460 89 L 5.1550 8.6963 124.8028 53.4120 44.6343 174.7945 90 F 5.1018 9.5595 125.7263 55.7060 41.7137 174.8611 91 V 4.8848 9.1488 123.7045 61.4270 33.9299 174.1546 92 S 5.3256 9.2813 124.7735 56.7921 65.5442 174.0007 93 T 4.2287 8.5644 121.2811 63.8286 68.3733 174.3598 94 A 4.3698 8.8518 128.5252 51.1290 20.2841 177.3449 95 G 3.9407 7.9288 103.2418 45.4622 0.0000 173.2479 96 S 3.9863 9.1568 111.1629 59.6058 60.3470 172.7475 97 G 3.9496 8.1800 103.3368 47.0335 0.0000 173.6827 98 T 5.1352 7.6153 113.8247 61.5876 72.9170 173.2048 99 C 5.2108 9.2199 121.0394 57.9186 33.1936 172.5672 100 L 5.0487 8.8540 123.3889 53.3589 44.1277 174.7752 101 A 5.2471 9.3129 128.6377 50.1844 21.6311 175.0273 102 V 4.8429 9.2753 122.8764 61.1651 34.8428 174.2866 103 L 5.3657 8.6667 126.9630 53.4533 44.3575 175.3182 104 A 5.0140 8.8846 122.7058 50.4568 23.2448 176.1581 105 G 4.1734 9.0240 107.6529 45.4420 0.0000 175.1556 106 R 4.3011 8.6332 119.9311 57.6338 30.0877 177.7205 107 E 4.1283 7.9654 117.1676 56.9399 30.0847 176.4329 108 A 4.0562 7.6664 122.5345 51.7844 19.1314 177.7028 109 D 4.5233 8.5801 120.2553 53.5182 41.6751 177.0572 110 A 3.9977 8.6507 130.1909 54.8234 18.5240 178.8495 111 A 3.8974 8.3478 119.6900 55.3485 18.4374 180.0820 112 V 3.5564 7.8557 116.1998 66.1290 31.5839 177.7245 113 L 3.8778 7.8189 118.8548 58.0478 41.9044 178.8143 114 G 3.6947 7.6923 104.6146 47.8871 0.0000 174.8002 115 Y 4.3025 7.5941 120.5006 60.3276 38.9067 178.7426 116 E 3.8765 8.5485 115.3864 56.7607 29.4701 177.2388 *118 A 4.0377 7.8098 120.2770 52.0229 20.3614 179.1898 *120 L 4.1763 7.8920 122.6873 56.6179 43.8315 179.0868 121 V 3.6048 7.8083 116.5751 65.8566 32.0284 177.1118 122 K 4.1482 7.9672 119.3344 59.2508 32.1917 179.2503 123 S 4.1695 7.9817 112.3791 61.2747 62.6163 175.4553 124 V 4.0330 8.1071 113.1638 63.2146 32.1143 178.0298 125 R 3.9175 7.8943 120.5393 59.0492 29.9062 176.7126 126 P 4.2062 0.0000 0.0000 65.6204 31.3586 176.8076 127 Y 4.3072 8.0989 113.3603 58.6465 38.1297 175.5775 128 L 4.3602 7.6529 125.5772 54.7850 41.9549 176.1316 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 10 V 7.91 4.06 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 1.03 0.00 0.00 0.95 0.00 0.00 11 S 9.18 3.94 0.00 4.03 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 12 D 8.78 4.25 0.00 2.60 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 13 L 7.80 3.96 0.00 1.80 1.67 0.93 1.06 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 14 D 8.06 4.37 0.00 2.78 2.78 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 0.00 0.00 0.00 0.00 15 W 8.46 4.23 0.00 3.53 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 16 L 7.58 4.38 0.00 1.75 1.66 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *18 S 8.16 3.88 0.00 3.48 3.42 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 19 G 7.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 3.90 0.00 1.74 1.62 0.86 0.90 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 21 V 7.48 3.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.96 0.00 0.00 22 Q 8.15 4.07 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 23 R 8.01 4.32 0.00 1.77 2.00 0.00 3.13 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 24 V 7.32 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 0.98 0.00 0.00 0.95 0.00 0.00 25 P 0.00 4.17 0.00 2.08 1.91 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 26 H 8.94 4.37 0.00 3.39 3.57 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.58 4.58 4.24 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 1.24 0.00 0.00 28 T 8.64 4.68 4.24 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 1.23 0.00 0.00 29 S 7.80 5.01 0.00 3.97 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 30 A 8.94 5.08 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 31 V 9.24 4.75 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 0.97 0.00 0.00 0.94 0.00 0.00 32 L 8.89 5.13 0.00 1.78 1.50 0.93 0.36 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 33 L 9.20 5.40 0.00 1.72 1.69 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.96 4.63 0.00 3.97 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 35 C 8.98 3.98 0.00 2.90 3.05 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 0.00 0.00 0.00 0.00 36 D 8.07 4.65 0.00 2.78 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 8.26 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 0.00 0.00 0.00 38 L 7.90 4.65 0.00 1.68 1.56 0.92 1.07 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 39 V 8.34 3.93 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 0.81 0.00 0.00 0.98 0.00 0.00 40 K 8.79 4.59 0.00 1.69 1.82 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.50 7.81 41 S 7.71 4.84 0.00 4.10 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 42 V 8.53 4.98 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 0.62 0.00 0.00 0.97 0.00 0.00 43 H 9.61 4.72 0.00 3.17 3.12 0.00 5.76 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 44 G 9.12 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.18 4.76 0.00 1.59 1.54 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.45 4.56 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.27 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 48 D 8.00 4.31 0.00 2.87 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 49 S 8.04 4.24 0.00 4.05 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 50 A 7.95 4.15 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 51 D 7.98 4.49 0.00 2.76 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 52 H 7.83 4.24 0.00 3.39 3.29 0.00 5.65 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 *54 A 8.03 4.27 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.16 3.97 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.48 3.94 0.00 1.67 1.75 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.02 4.04 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 58 S 8.37 4.31 0.00 4.36 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 59 G 7.97 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 60 L 8.14 4.02 0.00 1.89 1.76 0.93 0.88 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 61 Y 8.36 4.03 0.00 3.11 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 62 S 8.49 3.95 0.00 3.99 4.06 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 63 L 8.10 4.08 0.00 1.73 1.68 0.92 0.64 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 64 G 8.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.15 3.67 0.00 1.16 1.77 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 66 S 7.94 4.03 0.00 4.08 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 67 A 8.18 4.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.08 3.58 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 0.00 0.00 0.00 69 I 7.58 3.65 1.95 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 1.48 0.64 0.84 0.00 0.00 70 R 7.53 3.88 0.00 1.11 0.66 0.00 2.86 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 71 F 8.28 4.81 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.42 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 73 D 8.62 4.87 0.00 2.75 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 74 G 8.54 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 0.00 0.00 0.00 75 G 7.72 3.76 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 0.00 76 D 8.26 4.69 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 77 V 8.16 3.75 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 0.70 0.00 0.00 0.99 0.00 0.00 78 R 8.54 4.44 0.00 1.83 2.04 0.00 3.19 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 79 Q 7.66 5.07 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 80 V 8.99 4.47 2.12 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 0.84 0.00 0.00 0.97 0.00 0.00 81 V 8.44 4.56 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 0.19 0.00 0.00 0.89 0.00 0.00 82 V 8.73 4.19 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 0.91 0.00 0.00 0.89 0.00 0.00 83 E 8.71 4.62 0.00 1.91 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 0.00 2.17 2.26 0.00 84 L 8.50 4.61 0.00 1.73 1.58 0.90 0.92 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 85 D 8.80 4.58 0.00 2.65 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 86 S 8.02 4.90 0.00 3.84 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 87 T 7.62 5.15 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 1.22 0.00 0.00 88 L 9.42 5.18 0.00 1.67 1.20 1.10 0.48 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 89 L 8.70 5.16 0.00 1.72 1.44 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.56 5.10 0.00 2.92 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 91 V 9.15 4.88 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 1.11 0.00 0.00 0.98 0.00 0.00 92 S 9.28 5.33 0.00 3.78 3.76 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 93 T 8.56 4.23 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 1.34 0.00 0.00 94 A 8.85 4.37 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 95 G 7.93 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 0.00 0.00 0.00 96 S 9.16 3.99 0.00 4.01 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 97 G 8.18 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.62 5.14 4.36 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 1.17 0.00 0.00 99 C 9.22 5.21 0.00 2.66 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 0.00 100 L 8.85 5.05 0.00 1.72 1.51 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 101 A 9.31 5.25 1.24 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 0.00 0.00 102 V 9.28 4.84 2.15 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 1.01 0.00 0.00 0.93 0.00 0.00 103 L 8.67 5.37 0.00 1.68 1.57 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.88 5.01 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 0.00 105 G 9.02 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 0.00 0.00 0.00 0.00 106 R 8.63 4.30 0.00 1.93 2.00 0.00 3.37 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 107 E 7.97 4.13 0.00 1.66 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 108 A 7.67 4.06 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 0.00 109 D 8.58 4.52 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.65 4.00 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 0.00 111 A 8.35 3.90 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 0.00 112 V 7.86 3.56 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 1.06 0.00 0.00 0.98 0.00 0.00 113 L 7.82 3.88 0.00 1.56 1.47 0.71 -0.08 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 0.00 114 G 7.69 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 0.00 0.00 0.00 115 Y 7.59 4.30 0.00 2.95 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 0.00 116 E 8.55 3.88 0.00 1.90 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 2.66 2.51 0.00 *118 A 7.81 4.04 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 *120 L 7.89 4.18 0.00 1.83 1.66 0.91 0.81 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 0.00 121 V 7.81 3.60 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 0.85 0.00 0.00 0.92 0.00 0.00 122 K 7.97 4.15 0.00 1.78 1.82 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 123 S 7.98 4.17 0.00 3.83 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 0.00 124 V 8.11 4.03 2.15 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 0.67 0.00 0.00 1.01 0.00 0.00 125 R 7.89 3.92 0.00 1.89 2.08 0.00 3.09 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 126 P 0.00 4.21 0.00 1.69 1.91 0.00 3.95 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 1.94 2.04 0.00 127 Y 8.10 4.31 0.00 3.07 3.01 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 0.00 128 L 7.65 4.36 0.00 1.81 1.56 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.