NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 L 4.1495 8.1849 122.4904 55.7262 43.4371 175.4380 11 E 3.3514 8.2504 116.7706 56.4189 28.8908 173.6432 12 R 4.4932 9.1174 123.7940 55.1728 32.6597 175.0560 13 S 4.7958 8.2157 115.1004 56.6429 66.9192 173.0785 14 L 4.6301 8.2571 121.9473 53.3288 44.1390 175.1731 15 N 4.7378 8.5861 123.6985 52.2888 40.6233 173.3488 16 R 4.7796 8.3756 126.2504 55.1675 33.1917 174.1201 17 V 4.4586 9.1138 126.5986 60.1284 34.4012 174.2825 18 H 5.1272 8.7120 119.7746 54.0885 31.1205 173.0807 19 L 4.8227 8.5912 122.9314 52.9584 46.1440 175.7664 20 L 4.8291 7.9900 122.6733 54.8229 44.9800 174.8117 21 G 4.1003 8.4564 112.8739 47.0661 0.0000 170.9097 22 R 5.0567 8.1113 119.0739 54.5339 32.0800 176.4695 23 V 4.3098 8.9904 125.5427 63.3435 32.0717 176.5868 24 G 4.5313 9.5010 114.7765 46.8752 0.0000 173.3004 25 Q 4.9144 8.0959 116.3623 54.1364 32.1817 174.7476 26 D 4.7202 8.6840 120.2133 53.1581 41.5577 174.7253 27 P 4.7762 0.0000 0.0000 63.6729 32.0419 175.4590 28 V 4.6006 9.0006 120.3716 61.2243 34.9025 174.0685 29 L 4.8259 8.5606 127.2433 53.7460 42.9573 175.5981 30 R 4.6656 9.2166 124.1830 54.5906 34.5073 172.9941 31 Q 4.5096 8.3347 119.8401 54.3873 31.5370 174.6779 32 V 3.9366 9.1097 127.8627 62.7574 32.8094 175.8535 33 E 3.5298 8.9766 126.9096 57.9959 28.6188 176.8821 34 G 3.8419 8.7385 111.4654 48.2401 0.0000 173.9432 35 K 4.5844 7.9382 116.3262 55.8473 33.6341 176.0303 36 N 4.9540 8.2176 119.2465 50.7304 39.2467 171.8575 37 P 4.8182 0.0000 0.0000 62.5626 32.5336 176.1065 38 V 4.5979 8.3977 115.6589 60.0266 36.6896 173.6342 39 T 5.0490 8.4101 113.9439 60.0106 71.5113 172.8766 40 I 5.1914 8.9008 126.0532 59.6674 40.3733 174.7012 41 F 5.5214 8.7091 120.1888 55.8953 42.1815 172.5992 42 S 5.3243 9.0311 112.2324 56.5359 65.4024 172.3264 43 L 5.3328 9.3369 127.4122 53.3841 45.1661 174.6476 44 A 4.3563 8.4375 127.7318 50.7025 20.6789 176.0816 45 T 4.5907 8.6453 118.6333 61.6572 72.3374 172.9294 46 N 5.0586 8.5386 120.6597 51.5545 41.4920 174.0692 47 E 4.3290 8.3504 125.5049 54.6454 29.4942 175.4697 48 M 4.5059 8.4556 126.1218 55.1103 31.8507 176.6964 49 W 4.4631 8.3208 116.3158 55.4882 29.2108 175.9201 50 R 3.7755 8.7032 122.1561 56.7220 29.7850 176.1109 51 S 3.3186 8.2458 110.4253 59.5628 62.8183 172.5165 *65 K 4.1852 7.5429 118.7335 56.5299 33.0202 174.3324 66 T 4.3704 8.4228 121.4541 63.6229 69.4291 173.9825 67 T 4.5643 8.6594 123.2230 61.5763 71.1273 173.4360 68 W 4.9593 8.7704 125.7292 55.4099 31.0766 174.8258 69 H 4.9903 9.8607 123.6601 54.0552 31.1099 173.6897 70 R 4.8040 8.4924 122.2565 54.8537 32.2153 174.6095 71 I 4.7869 8.4515 126.9767 59.4717 40.3716 174.5274 72 S 5.0845 8.7267 122.5092 56.6480 65.9305 173.2591 73 V 4.6061 8.6343 124.7224 61.5351 32.5520 175.8150 74 F 4.2088 9.1153 127.3439 58.8177 39.9010 177.0319 75 R 4.0285 8.1134 121.6077 55.8544 30.0992 175.3354 76 P 4.4727 0.0000 0.0000 64.4793 31.9723 177.0533 77 G 4.0217 7.9996 105.9415 46.4589 0.0000 175.0144 78 L 4.1438 7.9970 121.2250 57.6494 41.7462 179.0617 79 R 4.1325 7.9622 115.7507 59.0495 29.8803 178.3761 80 D 4.5167 8.0523 119.0928 57.1622 41.0148 178.3638 81 V 3.7247 7.8133 118.3708 66.3515 31.5832 178.0028 82 A 4.4009 8.2764 119.6857 54.7177 17.9053 179.0378 83 Y 3.9699 7.8314 118.2342 60.9756 39.0807 177.7811 84 Q 3.6614 7.8409 116.2921 58.3631 28.9744 176.0694 85 Y 4.3090 7.3888 117.1100 58.7072 39.0809 176.4389 86 V 3.8965 7.4166 119.7670 62.3351 32.2714 175.2278 87 K 4.5494 8.3406 126.4233 54.5021 35.1559 174.6438 88 K 4.0207 8.0639 125.6261 58.5773 32.3473 176.7599 89 G 4.0732 9.3848 114.7248 45.3059 0.0000 173.9722 90 S 4.3237 8.0801 116.8565 58.7203 63.9048 173.3597 91 R 4.8577 8.1992 124.5973 55.6424 31.5862 175.2016 92 I 4.7670 9.2759 126.0287 59.7090 42.0410 173.3518 93 Y 5.0900 8.5598 126.3403 55.8690 41.5468 174.1681 94 L 4.9526 8.0343 127.1284 53.7111 46.2174 174.1236 95 E 4.9475 8.8855 124.6269 54.7391 33.6049 176.2875 96 G 4.2428 7.7142 108.0934 45.8155 0.0000 171.8261 97 K 4.9161 7.5119 117.7698 54.7511 34.7732 175.9046 98 I 4.4443 8.2674 124.5614 60.3694 38.5705 174.9313 99 D 4.5663 8.2969 125.5163 52.7520 43.7775 175.3355 100 Y 4.2453 8.9979 122.7303 57.2184 38.7593 175.5010 101 G 4.4993 7.9241 108.1984 45.2775 0.0000 173.2532 102 E 5.3652 8.2556 116.2106 55.6639 30.7281 177.6691 103 Y 4.9742 7.9317 121.1349 55.5539 42.2922 173.6567 104 M 4.3367 8.6382 120.1276 54.7320 32.5668 175.6365 105 D 4.6212 9.2522 125.6578 53.9124 40.6901 177.0493 106 K 4.4505 7.6182 122.3915 54.6186 32.2806 176.9353 107 N 4.5973 8.2471 121.5718 54.6772 39.4502 174.1304 108 N 4.3179 7.5840 114.4467 54.7036 37.5962 175.1750 109 V 3.5771 7.1282 115.3590 61.7895 32.8796 175.1056 110 R 4.2423 8.4551 127.9712 56.4048 30.6173 175.4550 111 R 4.7335 8.6132 125.4439 54.1436 34.1489 174.5126 112 Q 5.0019 8.3906 116.5723 54.6811 31.9835 175.0748 113 A 4.7266 9.1389 124.0419 50.5193 20.5901 173.8320 114 T 4.9251 8.4139 115.0157 61.7784 68.9095 173.5884 115 T 4.8607 8.6121 122.5160 60.3370 71.6371 172.3210 116 I 4.4679 8.4738 127.3449 59.9903 39.2300 175.1885 117 I 4.4733 9.0740 130.2167 60.0889 37.7158 175.1308 118 A 4.5825 8.7092 130.2299 52.0568 18.5884 176.6403 119 D 4.7484 9.1088 121.4109 55.2682 43.5578 176.3660 120 N 4.9318 7.9180 116.6887 51.9679 42.4667 173.2364 121 I 4.7798 8.5155 126.2485 59.6687 40.3723 174.8981 122 I 4.3115 8.8788 129.5252 59.5607 38.7357 175.3916 123 F 4.2446 8.7977 127.1405 57.5488 38.7462 175.6453 124 L 4.3499 8.4231 123.9487 57.4114 41.8749 177.9534 125 S 4.3017 8.0672 112.3334 58.4807 64.2023 173.4598 126 D 4.7296 8.7205 122.0110 54.8455 41.8532 173.1314 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 L 8.18 4.15 0.00 1.60 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.25 3.35 0.00 2.16 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 0.00 2.23 2.45 0.00 12 R 9.12 4.49 0.00 1.79 1.84 0.00 3.31 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 13 S 8.22 4.80 0.00 3.80 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 14 L 8.26 4.63 0.00 1.55 1.50 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.59 4.74 0.00 2.64 2.62 0.00 0.00 6.89 7.65 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 16 R 8.38 4.78 0.00 1.77 1.68 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 17 V 9.11 4.46 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 0.64 0.00 0.00 0.83 0.00 0.00 18 H 8.71 5.13 0.00 2.96 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.59 4.82 0.00 1.28 1.32 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.99 4.83 0.00 1.83 1.58 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.46 4.10 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 0.00 0.00 0.00 22 R 8.11 5.06 0.00 1.71 1.90 0.00 3.33 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 23 V 8.99 4.31 2.14 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 1.05 0.00 0.00 1.02 0.00 0.00 24 G 9.50 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.10 4.91 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 26 D 8.68 4.72 0.00 2.59 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 27 P 0.00 4.78 0.00 2.25 2.20 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 28 V 9.00 4.60 2.40 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 1.07 0.00 0.00 1.01 0.00 0.00 29 L 8.56 4.83 0.00 1.39 1.39 0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.22 4.67 0.00 1.78 1.66 0.00 3.05 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 31 Q 8.33 4.51 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 32 V 9.11 3.94 2.31 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 1.11 0.00 0.00 0.91 0.00 0.00 33 E 8.98 3.53 0.00 2.12 1.60 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 2.25 2.32 0.00 34 G 8.74 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 0.00 0.00 0.00 35 K 7.94 4.58 0.00 1.71 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.37 7.81 36 N 8.22 4.95 0.00 2.96 2.91 0.00 0.00 7.05 7.62 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 37 P 0.00 4.82 0.00 1.88 1.90 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 38 V 8.40 4.60 1.62 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 -0.81 0.00 0.00 0.67 0.00 0.00 39 T 8.41 5.05 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 1.32 0.00 0.00 40 I 8.90 5.19 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.95 0.00 0.00 41 F 8.71 5.52 0.00 3.08 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 42 S 9.03 5.32 0.00 4.00 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 43 L 9.34 5.33 0.00 1.82 1.46 1.03 0.87 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 44 A 8.44 4.36 0.03 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 0.00 0.00 0.00 0.00 0.00 45 T 8.65 4.59 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 1.20 0.00 0.00 46 N 8.54 5.06 0.00 2.53 2.69 0.00 0.00 6.85 7.66 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 47 E 8.35 4.33 0.00 2.22 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 2.27 2.39 0.00 48 M 8.46 4.51 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 49 W 8.32 4.46 0.00 3.59 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 50 R 8.70 3.78 0.00 1.78 2.00 0.00 3.43 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 51 S 8.25 3.32 0.00 4.08 3.97 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 *65 K 7.54 4.19 0.00 2.01 2.03 0.00 1.94 0.00 0.00 2.61 0.00 0.00 3.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.64 7.81 66 T 8.42 4.37 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 0.67 0.00 0.00 67 T 8.66 4.56 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 1.03 0.00 0.00 68 W 8.77 4.96 0.00 3.17 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 69 H 9.86 4.99 0.00 3.00 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.49 4.80 0.00 1.91 1.79 0.00 3.12 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 71 I 8.45 4.79 0.79 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.23 0.44 0.00 0.00 72 S 8.73 5.08 0.00 3.94 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 73 V 8.63 4.61 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 1.15 0.00 0.00 1.14 0.00 0.00 74 F 9.12 4.21 0.00 3.00 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 75 R 8.11 4.03 0.00 1.93 1.90 0.00 3.24 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 76 P 0.00 4.47 0.00 2.11 2.13 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 77 G 8.00 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 0.00 0.00 0.00 78 L 8.00 4.14 0.00 1.81 1.79 1.04 1.08 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 79 R 7.96 4.13 0.00 2.07 2.28 0.00 3.10 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 80 D 8.05 4.52 0.00 2.96 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 81 V 7.81 3.72 2.26 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 1.17 0.00 0.00 1.07 0.00 0.00 82 A 8.28 4.40 1.64 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 83 Y 7.83 3.97 0.00 3.08 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 84 Q 7.84 3.66 0.00 1.59 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.06 1.44 0.00 85 Y 7.39 4.31 0.00 2.42 2.22 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 0.00 86 V 7.42 3.90 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 -0.05 0.00 0.00 0.82 0.00 0.00 87 K 8.34 4.55 0.00 1.72 1.57 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.37 7.81 88 K 8.06 4.02 0.00 1.84 1.77 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.61 7.81 89 G 9.38 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 0.00 0.00 0.00 0.00 90 S 8.08 4.32 0.00 3.92 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 91 R 8.20 4.86 0.00 1.92 1.81 0.00 3.05 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 92 I 9.28 4.77 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.00 0.89 0.00 0.00 93 Y 8.56 5.09 0.00 3.07 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 94 L 8.03 4.95 0.00 1.53 1.20 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.89 4.95 0.00 1.86 1.70 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 2.08 1.98 0.00 96 G 7.71 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 0.00 0.00 0.00 0.00 97 K 7.51 4.92 0.00 1.72 1.61 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.50 7.81 98 I 8.27 4.44 1.48 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.54 0.39 0.00 0.00 99 D 8.30 4.57 0.00 2.65 2.36 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 0.00 100 Y 9.00 4.25 0.00 2.98 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 0.00 101 G 7.92 4.50 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 0.00 102 E 8.26 5.37 0.00 1.91 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 2.40 2.21 0.00 103 Y 7.93 4.97 0.00 2.99 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 0.00 104 M 8.64 4.34 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 105 D 9.25 4.62 0.00 2.86 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 0.00 106 K 7.62 4.45 0.00 1.89 1.83 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.35 7.81 107 N 8.25 4.60 0.00 2.85 2.95 0.00 0.00 7.30 7.79 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 0.00 108 N 7.58 4.32 0.00 2.86 2.73 0.00 0.00 5.96 7.68 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 0.00 109 V 7.13 3.58 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 0.94 0.00 0.00 0.91 0.00 0.00 110 R 8.46 4.24 0.00 1.80 1.76 0.00 3.19 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 111 R 8.61 4.73 0.00 0.86 1.53 0.00 3.23 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.50 0.00 112 Q 8.39 5.00 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 113 A 9.14 4.73 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 0.00 114 T 8.41 4.93 4.44 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 1.33 0.00 0.00 115 T 8.61 4.86 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 1.25 0.00 0.00 116 I 8.47 4.47 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.22 0.79 0.00 0.00 117 I 9.07 4.47 1.82 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 1.21 1.13 0.90 0.00 0.00 118 A 8.71 4.58 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 0.00 0.00 0.00 0.00 0.00 119 D 9.11 4.75 0.00 2.61 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 0.00 120 N 7.92 4.93 0.00 2.81 2.62 0.00 0.00 6.99 7.72 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 0.00 121 I 8.52 4.78 1.78 0.00 0.00 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 1.38 0.82 0.16 0.00 0.00 122 I 8.88 4.31 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.93 0.00 0.00 123 F 8.80 4.24 0.00 2.91 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 0.00 124 L 8.42 4.35 0.00 1.83 1.75 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.07 4.30 0.00 4.01 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 0.00 126 D 8.72 4.73 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.