NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9476 8.3549 109.7212 45.7426 0.0000 175.3561 17 I 3.5630 7.1666 120.7993 62.9610 37.3483 175.8428 18 T 3.7849 7.8297 116.1102 63.0168 69.7021 174.0564 19 G 3.7548 7.2688 112.5474 44.6763 0.0000 170.6510 20 T 4.6482 7.4069 116.8314 61.5656 69.8704 174.6507 21 W 4.9686 8.9010 126.1787 54.9717 33.4294 174.1699 22 Y 5.5753 9.5369 119.8043 56.5051 41.6801 175.3051 23 N 5.4075 9.2256 121.4367 50.5456 39.8795 175.7515 24 Q 4.2173 8.7162 115.8332 58.0497 28.7093 176.7316 25 L 4.5678 8.1248 117.7098 54.4337 42.1006 176.5938 26 G 3.9787 8.1952 105.5663 46.4412 0.0000 174.6157 27 S 4.6205 8.9580 115.8750 58.2705 64.6229 173.3055 28 T 4.9488 8.6160 118.6003 61.7027 71.8668 173.0258 29 F 5.0471 9.1636 128.6211 56.6344 41.8133 173.8786 30 I 4.5996 8.5518 129.2063 59.5307 38.7123 175.4980 31 V 4.6388 8.3322 126.8904 59.8635 35.1655 174.5624 32 T 4.6379 9.0337 119.2771 61.7568 71.0315 173.3514 33 A 4.2561 8.8295 130.0553 50.2407 18.9835 177.4140 34 G 3.7421 9.4741 111.2494 46.0492 0.0000 173.5589 35 A 4.1108 8.5382 123.9460 54.8286 18.5791 179.0074 36 D 4.3549 7.9753 114.0115 54.4606 39.9306 176.9989 37 G 3.5428 8.0294 107.3074 44.7848 0.0000 172.9589 38 A 5.0473 8.4644 122.5018 50.9379 20.9658 176.3936 39 L 5.2204 8.9855 121.5043 53.1393 44.4778 175.8651 40 T 4.8487 8.6913 113.6359 59.7802 72.5293 174.4131 41 G 3.8174 7.3915 108.1555 46.4551 0.0000 171.3880 42 T 5.2466 7.7049 115.2341 62.0649 73.2612 172.4886 43 Y 5.0513 9.4792 126.8362 55.7472 41.6778 173.7039 44 E 5.4102 8.8855 127.5158 53.8300 32.3347 175.0186 *52 S 4.5886 8.2702 119.8830 58.4275 63.2565 171.5352 53 R 4.9450 8.1500 116.9889 55.2283 31.8042 175.0065 54 Y 4.9098 9.4104 119.6454 55.9737 42.4773 174.8932 55 V 4.3597 8.5926 122.4683 62.7821 32.0406 175.1100 56 L 5.2267 8.7389 127.0921 54.5140 43.9448 175.1553 57 T 4.8216 8.5924 113.8526 61.5428 71.3876 173.3562 58 G 5.0388 8.3949 111.6888 47.2818 0.0000 172.1479 59 R 6.0300 8.8259 117.5524 54.0285 34.9645 173.7746 60 Y 5.2368 8.2150 117.5484 55.5804 41.4616 174.5538 61 D 4.3470 9.1542 120.5390 53.9765 40.2343 176.5354 62 S 4.3301 8.0547 120.0391 58.6557 63.7246 175.0770 63 A 4.6652 8.0979 123.8396 50.2026 18.9197 174.1187 64 P 4.7131 0.0000 0.0000 60.7077 32.7006 177.1404 65 A 4.2030 8.3928 122.3498 52.9686 18.9877 177.6446 66 T 4.4574 8.2492 107.8241 61.8301 69.8059 175.7320 67 D 4.5852 8.0096 120.4710 53.9196 39.0771 177.1802 68 G 3.9571 8.0240 106.7441 45.9134 0.0000 174.5869 69 S 4.3180 8.4502 116.0985 57.8420 63.3983 174.2463 70 G 3.9391 8.4357 110.6854 46.7308 0.0000 172.5523 71 T 4.8034 8.9961 116.6950 61.3669 70.3503 174.6476 72 A 4.7739 8.6922 129.5869 52.3124 19.7178 175.9373 73 L 4.9421 8.9114 120.9495 55.6688 44.6625 173.5867 74 G 5.0493 8.9942 105.1807 46.1273 0.0000 172.1134 75 W 5.6634 7.7658 116.2917 55.9971 31.9539 173.0996 76 T 5.2339 9.3033 116.1977 61.8092 72.2639 173.3812 77 V 4.6227 8.8197 125.1529 60.9176 34.1390 173.9287 78 A 4.5378 8.2981 129.8678 49.7321 19.8970 178.1632 79 W 4.1699 8.5494 127.2617 55.9037 28.0029 176.3657 80 K 5.2964 7.8441 118.2884 54.6507 34.9886 174.4261 81 N 5.2227 9.0992 124.3567 51.6260 39.7556 173.5998 82 N 4.4234 8.8632 113.7888 55.8407 38.8798 175.2831 83 Y 4.4954 8.8914 115.6725 58.7966 39.5863 175.6871 84 R 4.7427 8.0024 113.7018 54.7516 32.6541 173.3236 85 N 5.1991 8.5320 115.7483 52.3940 40.8018 173.5150 86 A 4.3906 8.8902 128.1339 51.5575 20.1038 176.0979 87 H 4.2076 8.7210 114.2689 56.1817 26.9406 173.2763 88 S 5.2602 7.4150 111.8374 57.5396 67.2609 174.2986 89 A 5.0695 9.1117 121.2581 50.8425 22.7959 175.1584 90 T 4.9312 8.7493 118.6025 61.7470 71.4872 173.4804 91 T 4.8489 8.3153 115.8363 59.5999 71.7244 172.8466 92 W 4.9443 8.8487 125.4285 54.7642 31.6668 174.7815 93 S 4.9888 8.9514 119.2551 56.8579 65.0252 173.3126 94 G 4.3312 8.6865 112.7577 46.5297 0.0000 171.6514 95 Q 5.2783 8.4473 117.1973 54.8861 32.6427 173.3346 96 Y 5.0380 9.2715 123.4854 56.6049 40.9079 174.2610 97 V 4.3217 8.4988 126.5917 61.0456 34.1506 175.4218 98 G 3.9850 8.1468 115.8454 44.9318 0.0000 169.8293 99 G 3.8027 8.9274 103.3870 43.8619 0.0000 172.2687 100 A 3.7679 8.1029 119.3961 55.3302 18.6920 178.5990 101 E 4.3415 7.7140 120.4972 53.6474 28.7571 175.1568 102 A 4.5067 8.0864 123.5654 52.4359 19.3383 176.7720 103 R 5.3261 9.1493 117.3591 55.1368 33.9149 174.0584 104 I 4.9886 9.0276 120.7720 59.8313 40.3244 174.4949 105 N 5.3109 9.1123 126.2592 52.2091 39.9320 174.5754 106 T 5.3263 9.2256 114.0761 60.0082 72.8940 172.8607 107 Q 5.2895 9.0574 121.5212 53.9914 32.1808 174.7568 108 W 5.9781 8.2019 117.7869 53.6824 32.3989 173.8411 109 L 5.2617 8.3618 120.0287 52.9783 44.9903 175.0022 110 L 4.9753 9.3364 126.8012 53.8215 44.2216 174.8419 111 T 5.0349 8.9159 124.3385 62.0784 70.7009 174.0497 112 S 5.1113 8.7882 122.8168 56.5743 65.0975 174.3803 113 G 3.8671 8.8882 112.2000 46.5516 0.0000 173.0682 114 T 4.7925 8.4327 115.1153 59.4659 71.6824 173.4444 115 T 4.2119 7.9981 112.2756 60.7191 70.3020 175.3711 116 E 3.9424 8.6879 121.3593 59.2785 29.3444 178.2401 117 A 4.0163 8.0151 119.5190 54.8654 18.8462 178.2166 118 N 4.6378 7.7972 111.3690 53.4827 38.7584 176.8651 119 A 4.1040 8.1110 124.4313 54.4110 18.4265 178.8390 120 A 4.0935 8.0459 119.4871 54.3746 18.6979 177.9931 121 K 4.6279 7.6531 114.5921 56.7731 33.1509 177.1133 122 S 4.5895 8.0245 114.4313 60.2024 64.9445 173.3310 123 T 5.0489 7.8035 117.1317 61.8591 70.8186 173.4433 124 L 4.7730 8.8872 127.0279 53.4598 44.0606 176.1250 125 V 4.3695 7.8283 120.2889 60.2884 34.6363 174.9398 126 G 3.1730 6.6642 108.5097 45.6277 0.0000 171.1238 127 H 5.5066 8.0669 113.6740 54.1007 31.8333 172.6663 128 D 5.1652 9.4015 118.9617 53.1135 45.7140 174.3933 129 T 5.0727 8.6273 118.5682 61.9459 71.2859 173.1673 130 F 5.5708 9.4474 125.5543 56.5059 41.7512 175.1053 131 T 5.4280 9.3805 117.5947 62.3353 73.0869 174.8452 132 K 4.1692 8.8781 122.0674 56.5956 32.6061 177.1087 133 V 4.3612 7.4808 119.1025 59.1969 33.3003 175.2238 134 K 3.6022 8.2644 125.9087 55.2018 32.6032 174.6511 135 P 4.4576 0.0000 0.0000 62.8305 31.4224 174.8045 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 16 G 8.35 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 17 I 7.17 3.56 1.31 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 0.78 -0.36 0.50 0.00 0.00 18 T 7.83 3.78 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 1.14 0.00 0.00 19 G 7.27 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 20 T 7.41 4.65 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 0.77 0.00 0.00 21 W 8.90 4.97 0.00 3.31 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 22 Y 9.54 5.58 0.00 2.92 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 23 N 9.23 5.41 0.00 2.22 2.50 0.00 0.00 6.62 7.24 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 24 Q 8.72 4.22 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.36 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.12 4.57 0.00 1.79 1.73 0.99 0.96 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 26 G 8.20 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 27 S 8.96 4.62 0.00 4.10 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 28 T 8.62 4.95 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 0.93 0.00 0.00 29 F 9.16 5.05 0.00 2.56 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 30 I 8.55 4.60 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.74 0.00 0.00 31 V 8.33 4.64 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 0.10 0.00 0.00 0.57 0.00 0.00 32 T 9.03 4.64 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 8.83 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.47 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 35 A 8.54 4.11 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 7.98 4.35 0.00 2.76 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 37 G 8.03 3.54 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 38 A 8.46 5.05 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 39 L 8.99 5.22 0.00 1.80 1.60 0.74 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.69 4.85 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 7.39 3.82 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 0.00 0.00 0.00 42 T 7.70 5.25 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 1.28 0.00 0.00 43 Y 9.48 5.05 0.00 2.94 2.90 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 0.00 0.00 0.00 0.00 44 E 8.89 5.41 0.00 2.04 1.88 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 2.23 2.11 0.00 *52 S 8.27 4.59 0.00 3.79 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 53 R 8.15 4.94 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 Y 9.41 4.91 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.36 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.74 5.23 0.00 2.05 1.77 0.79 0.59 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 57 T 8.59 4.82 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 8.39 5.04 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 59 R 8.83 6.03 0.00 1.75 1.80 0.00 3.60 0.00 0.00 3.38 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.43 0.00 60 Y 8.21 5.24 0.00 3.08 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 61 D 9.15 4.35 0.00 2.74 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 62 S 8.05 4.33 0.00 3.86 3.31 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 63 A 8.10 4.67 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 4.71 0.00 2.27 2.17 0.00 3.45 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.39 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 66 T 8.25 4.46 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 1.23 0.00 0.00 67 D 8.01 4.59 0.00 2.80 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 68 G 8.02 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.45 4.32 0.00 3.88 3.83 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 70 G 8.44 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 71 T 9.00 4.80 4.57 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 1.46 0.00 0.00 72 A 8.69 4.77 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 8.91 4.94 0.00 2.08 1.94 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.99 5.05 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 0.00 0.00 0.00 75 W 7.77 5.66 0.00 3.47 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 76 T 9.30 5.23 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 1.23 0.00 0.00 77 V 8.82 4.62 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 -0.61 0.00 0.00 0.80 0.00 0.00 78 A 8.30 4.54 1.19 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 0.00 0.00 0.00 79 W 8.55 4.17 0.00 3.29 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 7.84 5.30 0.00 1.92 1.74 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.47 7.81 81 N 9.10 5.22 0.00 2.74 2.58 0.00 0.00 7.07 7.76 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 82 N 8.86 4.42 0.00 2.17 2.57 0.00 0.00 6.66 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 8.89 4.50 0.00 2.96 3.02 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 84 R 8.00 4.74 0.00 2.00 2.10 0.00 3.20 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 85 N 8.53 5.20 0.00 2.66 2.60 0.00 0.00 6.87 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 8.89 4.39 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 87 H 8.72 4.21 0.00 3.32 3.32 0.00 5.63 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 7.42 5.26 0.00 3.99 3.96 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 0.00 0.00 0.00 89 A 9.11 5.07 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 90 T 8.75 4.93 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 -0.45 0.00 0.00 91 T 8.32 4.85 4.14 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 1.15 0.00 0.00 92 W 8.85 4.94 0.00 1.78 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 0.00 0.00 0.00 93 S 8.95 4.99 0.00 3.76 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 8.69 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 0.00 0.00 0.00 0.00 95 Q 8.45 5.28 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 96 Y 9.27 5.04 0.00 2.98 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 97 V 8.50 4.32 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 0.84 0.00 0.00 0.91 0.00 0.00 98 G 8.15 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 99 G 8.93 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 0.00 100 A 8.10 3.77 1.26 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 0.00 0.00 101 E 7.71 4.34 0.00 2.00 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 2.32 2.33 0.00 102 A 8.09 4.51 1.47 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 0.00 0.00 0.00 103 R 9.15 5.33 0.00 2.12 2.17 0.00 2.76 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 104 I 9.03 4.99 1.78 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.24 1.09 0.00 0.00 105 N 9.11 5.31 0.00 2.74 2.83 0.00 0.00 6.08 6.44 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 0.00 106 T 9.23 5.33 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 107 Q 9.06 5.29 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 108 W 8.20 5.98 0.00 2.70 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 0.00 109 L 8.36 5.26 0.00 1.51 1.54 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.34 4.98 0.00 1.60 1.80 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.92 5.03 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 1.21 0.00 0.00 112 S 8.79 5.11 0.00 3.74 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 0.00 113 G 8.89 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 0.00 0.00 0.00 114 T 8.43 4.79 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 1.26 0.00 0.00 115 T 8.00 4.21 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 1.21 0.00 0.00 116 E 8.69 3.94 0.00 2.05 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 2.37 2.37 0.00 117 A 8.02 4.02 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 0.00 118 N 7.80 4.64 0.00 2.78 2.84 0.00 0.00 6.83 7.95 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 0.00 119 A 8.11 4.10 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 0.00 120 A 8.05 4.09 1.28 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 0.00 0.00 121 K 7.65 4.63 0.00 1.88 1.87 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.44 7.81 122 S 8.02 4.59 0.00 4.09 4.14 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 0.00 123 T 7.80 5.05 4.22 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 0.00 0.00 1.19 0.00 0.00 124 L 8.89 4.77 0.00 1.82 1.73 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.83 4.37 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 0.53 0.00 0.00 0.71 0.00 0.00 126 G 6.66 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 0.00 0.00 0.00 127 H 8.07 5.51 0.00 3.17 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.40 5.17 0.00 3.08 2.37 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 0.00 129 T 8.63 5.07 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 1.39 0.00 0.00 130 F 9.45 5.57 0.00 3.01 3.31 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 0.00 131 T 9.38 5.43 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 1.40 0.00 0.00 132 K 8.88 4.17 0.00 1.49 1.54 0.00 1.22 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.22 7.81 133 V 7.48 4.36 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 0.75 0.00 0.00 0.90 0.00 0.00 134 K 8.26 3.60 0.00 0.79 1.26 0.00 1.20 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 0.88 7.81 135 P 0.00 4.46 0.00 2.20 1.99 0.00 3.81 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 1.92 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.