NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.4159 8.1593 117.4139 63.5882 69.9972 172.6053 5 F 4.7100 8.0904 119.3410 56.3748 40.7432 170.7961 6 I 4.1204 9.2339 121.4295 60.0693 37.7736 177.5336 7 R 4.2496 8.5888 127.4666 59.2423 30.6987 176.8670 8 H 4.8148 7.7410 116.6475 54.7984 33.5401 172.1504 9 I 4.8150 7.9115 124.6576 59.2679 39.9524 174.5481 10 A 4.6958 8.6323 128.1026 49.8346 21.8687 174.9450 11 L 4.1392 8.5866 124.7271 54.4398 42.6836 176.3482 12 L 4.3441 9.5684 125.3340 54.6708 42.8192 176.6494 13 G 3.6736 6.8610 104.9107 44.0915 0.0000 171.8178 14 F 5.0953 7.4731 114.4274 55.4487 41.2714 173.8069 15 E 4.9443 9.1007 117.7378 54.7791 34.4910 174.6053 16 K 4.1946 8.5913 121.3719 56.1931 32.8713 176.8853 17 R 4.1292 8.0987 123.5509 54.0535 33.4544 176.4900 18 F 5.0886 8.1208 115.2957 55.7197 40.5970 174.7650 19 V 4.4109 7.6167 120.2474 60.5715 33.2738 173.4710 20 P 4.4571 0.0000 0.0000 64.7667 31.4487 175.5423 21 S 4.7095 7.7218 111.7910 58.1531 65.1036 172.9349 22 Q 4.5143 8.7172 119.3595 57.3527 28.6210 175.4010 23 H 4.7109 8.6246 118.7653 54.7281 32.7238 171.5226 24 Y 5.0029 8.3464 115.6851 56.6034 39.7000 175.7509 25 V 4.5783 8.7538 122.0367 61.7867 35.5430 174.7450 26 Y 5.2414 8.6998 124.7213 55.8828 41.5567 173.6395 *28 F 4.7910 8.3894 117.5221 58.1380 41.0609 174.1444 29 L 4.7704 8.8464 127.0250 54.2143 43.1852 175.2964 30 V 4.4604 9.0309 128.1607 61.0913 33.5970 174.1981 31 K 4.9292 8.6417 130.3990 54.9118 33.9416 176.0953 32 W 4.9338 8.8238 128.6428 55.1813 31.1619 177.3682 33 Q 3.5759 8.2580 118.3427 59.1879 27.8520 176.9474 34 D 4.6217 7.8772 115.8845 52.7999 39.4076 177.7071 35 L 3.8102 7.9704 117.5173 55.3636 40.4359 175.1365 36 S 4.3560 7.8301 114.6783 58.3316 63.5570 172.8419 37 E 5.4227 8.6131 121.2511 54.7006 32.5323 175.4377 38 K 4.7346 9.0407 122.3872 54.6100 36.6142 175.4383 39 V 4.5071 8.4945 124.1224 62.3202 32.2750 175.4098 40 V 4.6268 8.8058 120.9118 59.7129 35.1029 174.7737 41 Y 5.0223 8.6390 119.4685 56.5521 40.4433 175.4603 42 R 4.9754 9.3270 123.2208 54.3746 34.5487 175.8467 43 R 4.8343 9.0034 122.2150 55.8209 31.2298 177.6101 44 F 4.0562 9.2720 122.1756 61.8331 39.3901 177.4052 45 T 3.9996 8.3152 114.9021 67.0170 68.2456 176.0646 46 E 4.0890 8.2888 119.6375 59.5714 29.6060 179.3241 47 I 3.4820 7.9466 119.8437 64.4247 37.0716 177.9112 48 Y 3.7745 7.9318 120.4617 60.5559 38.5926 177.8120 49 E 3.8981 8.4472 119.6854 59.2689 29.5582 178.8974 50 F 3.9650 8.1386 120.7605 61.5491 39.2259 176.7713 51 H 3.7270 7.9223 117.5648 58.9072 29.7927 177.2099 52 K 3.6228 7.6436 120.3208 59.8471 31.6702 179.4095 53 T 3.8367 7.3148 114.3072 66.3676 68.3932 176.0723 54 L 3.9168 7.2590 121.0758 58.0554 42.0962 178.7588 55 K 4.0601 7.4629 116.9951 59.3691 32.2233 179.5848 56 E 4.1639 7.5514 117.1571 55.9539 31.4311 177.7569 *58 F 4.6149 7.8574 114.8592 56.6294 40.1584 173.9235 59 P 4.2271 0.0000 0.0000 65.7687 31.7047 178.0265 60 I 3.6988 7.7974 117.7876 64.7631 37.1889 178.1975 61 E 4.0832 8.1926 117.9670 58.5578 29.2118 178.4781 62 A 4.2697 8.0250 119.9174 52.6639 18.7217 178.2044 63 G 3.8176 7.8869 104.9520 45.6117 0.0000 174.6924 64 A 4.1383 7.9861 124.5247 54.3932 18.7071 180.1398 65 I 3.9071 7.7149 115.8533 63.2405 37.9116 175.7034 66 N 4.8464 7.7050 121.6066 50.9555 40.3321 172.6006 67 P 4.3696 0.0000 0.0000 65.9159 31.5568 178.4441 68 E 4.1555 8.1141 115.5397 58.4382 29.4784 177.2345 69 N 4.6439 7.9434 114.8907 53.1864 38.9614 175.3920 70 R 4.2678 7.4540 119.2067 56.3290 30.5345 176.0589 71 I 4.5205 8.1932 115.9670 60.2159 39.1607 175.9340 72 I 3.7600 7.6540 122.9186 60.2651 37.3956 174.1307 73 P 4.4930 0.0000 0.0000 62.9039 31.9311 175.5078 74 H 4.7326 8.6060 116.5732 55.1912 29.7139 175.1090 75 L 4.7243 8.2795 123.8257 52.7016 44.3358 174.2852 76 P 4.5175 0.0000 0.0000 62.1579 32.2228 176.3754 77 A 3.5933 8.8789 124.4937 51.3687 19.3262 176.6037 78 P 4.4552 0.0000 0.0000 65.6670 31.5106 179.1416 79 K 3.7507 7.8206 115.5172 59.3369 32.2128 177.6599 80 W 4.1670 7.6739 117.7506 57.5914 29.0884 175.8876 81 F 4.7815 7.9715 117.9140 55.6919 39.3308 173.8347 82 D 4.5623 8.3173 124.5872 52.2052 41.9379 174.5715 83 G 3.9298 8.6135 105.2640 44.8424 0.0000 174.1111 84 Q 4.0838 8.4345 116.2721 58.1598 28.9503 177.7634 85 R 4.9514 8.0557 115.1152 55.0735 30.9871 177.5361 86 A 4.0003 7.7768 122.7087 55.3504 18.1959 180.5428 87 A 3.7970 7.2722 119.7355 54.5155 17.7871 179.3930 88 E 4.0766 7.7771 116.5244 59.9457 29.5430 179.1678 89 N 4.3684 8.5123 116.6341 56.5636 38.4926 177.6952 90 R 3.0305 7.7082 119.2815 58.3746 30.0691 178.3946 91 Q 4.0710 7.9623 119.8232 59.5834 28.6968 179.6233 92 G 3.6217 7.8024 105.5495 48.0257 0.0000 175.7487 93 T 4.0036 7.5109 117.7126 66.6032 68.4927 176.6671 94 L 4.2348 8.2860 120.9959 57.7995 41.5048 179.4999 95 T 3.9520 7.9405 115.8183 66.7454 68.5116 176.4167 96 E 4.0292 7.9866 120.0409 59.5514 29.4639 178.6653 97 Y 4.1057 8.0524 119.3129 61.1055 38.6402 178.0838 98 C 4.1902 8.2470 116.4653 62.7576 28.3076 175.9889 99 S 4.2459 7.6552 115.0325 61.7795 62.7219 176.3362 100 T 3.9927 7.5444 118.2521 65.9580 68.1040 176.7296 101 L 3.7368 7.5873 119.1187 56.0632 41.8709 178.4866 *103 S 4.4201 7.9969 112.1645 57.3936 64.8009 174.0551 104 L 4.1183 7.1472 119.2749 53.5135 42.0468 174.8552 105 P 4.3504 0.0000 0.0000 62.9393 31.4830 177.7602 106 T 3.9638 8.1630 108.3646 63.0345 69.2270 176.4686 107 K 3.8090 8.1026 123.1875 58.9898 32.5791 176.7497 108 I 3.8831 7.3803 117.6578 62.6072 38.4891 177.7612 109 S 4.2903 8.1544 114.2226 60.2262 62.9466 175.4503 110 R 4.7278 7.4434 118.2509 55.4829 31.1047 175.9617 111 C 4.4873 7.8702 114.4884 57.6422 31.6194 172.6627 112 P 4.4001 0.0000 0.0000 66.2525 31.0431 178.3571 113 H 4.2865 8.4321 116.5599 59.1924 29.5633 176.9819 114 L 4.2999 8.1077 120.4701 58.2673 42.6134 178.1529 115 L 4.3741 8.1643 118.9174 58.2982 41.5610 179.0653 116 D 4.5193 8.8599 118.7981 57.7532 40.6204 178.9303 117 F 3.8938 7.9584 119.1757 60.7298 39.3216 176.2139 118 F 4.4794 7.6367 113.4121 56.2424 39.4619 176.3195 119 K 4.4445 7.2310 119.1255 55.7742 32.5209 177.1643 120 V 3.6654 8.2777 122.1286 63.1454 31.7886 176.3710 121 R 4.2246 8.3609 126.0214 55.0605 30.8035 174.6452 122 P 4.4158 0.0000 0.0000 62.3628 32.0360 176.6106 123 D 4.5376 8.6260 120.1799 54.8612 40.6727 176.4529 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 4 T 8.16 4.42 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 1.23 0.00 0.00 5 F 8.09 4.71 0.00 3.15 3.19 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 6 I 9.23 4.12 1.56 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.52 0.00 0.00 7 R 8.59 4.25 0.00 1.76 1.99 0.00 3.17 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 8 H 7.74 4.81 0.00 3.15 3.03 0.00 5.80 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 9 I 7.91 4.81 1.57 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 0.66 0.32 0.79 0.00 0.00 10 A 8.63 4.70 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 11 L 8.59 4.14 0.00 1.52 1.56 0.39 1.02 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 12 L 9.57 4.34 0.00 1.54 1.62 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 G 6.86 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 0.00 0.00 0.00 0.00 14 F 7.47 5.10 0.00 2.48 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 15 E 9.10 4.94 0.00 1.98 1.81 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 2.24 2.32 0.00 16 K 8.59 4.19 0.00 1.36 0.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.50 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.62 1.34 7.81 17 R 8.10 4.13 0.00 1.23 1.54 0.00 3.06 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.60 0.00 18 F 8.12 5.09 0.00 3.10 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 19 V 7.62 4.41 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 0.88 0.00 0.00 0.98 0.00 0.00 20 P 0.00 4.46 0.00 2.25 2.19 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 21 S 7.72 4.71 0.00 4.02 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 22 Q 8.72 4.51 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 23 H 8.62 4.71 0.00 3.14 3.37 0.00 5.25 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.35 5.00 0.00 2.74 2.51 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 0.00 25 V 8.75 4.58 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 1.29 0.00 0.00 1.07 0.00 0.00 26 Y 8.70 5.24 0.00 3.35 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 *28 F 8.39 4.79 0.00 3.13 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 29 L 8.85 4.77 0.00 1.74 1.54 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.03 4.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 1.02 0.00 0.00 31 K 8.64 4.93 0.00 1.83 1.59 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.40 7.81 32 W 8.82 4.93 0.00 3.28 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 33 Q 8.26 3.58 0.00 1.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.37 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 34 D 7.88 4.62 0.00 2.88 2.89 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 35 L 7.97 3.81 0.00 1.86 1.86 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.83 4.36 0.00 3.99 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 37 E 8.61 5.42 0.00 1.86 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 2.22 2.48 0.00 38 K 9.04 4.73 0.00 1.92 1.75 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.45 7.81 39 V 8.49 4.51 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 0.31 0.00 0.00 0.90 0.00 0.00 40 V 8.81 4.63 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 0.85 0.00 0.00 1.07 0.00 0.00 41 Y 8.64 5.02 0.00 2.86 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 42 R 9.33 4.98 0.00 2.06 1.95 0.00 2.62 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.25 0.00 43 R 9.00 4.83 0.00 2.03 2.00 0.00 2.89 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 44 F 9.27 4.06 0.00 3.26 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 45 T 8.32 4.00 4.35 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 1.30 0.00 0.00 46 E 8.29 4.09 0.00 2.35 2.23 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 2.50 2.50 0.00 47 I 7.95 3.48 1.70 0.00 0.00 1.18 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 1.23 0.70 0.00 0.00 48 Y 7.93 3.77 0.00 2.80 3.04 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 49 E 8.45 3.90 0.00 2.24 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 2.59 2.53 0.00 50 F 8.14 3.96 0.00 1.95 2.50 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 51 H 7.92 3.73 0.00 3.13 3.17 0.00 5.85 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 52 K 7.64 3.62 0.00 1.77 1.70 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 0.90 7.81 53 T 7.31 3.84 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 0.95 0.00 0.00 54 L 7.26 3.92 0.00 1.11 1.50 1.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.46 4.06 0.00 1.81 1.76 0.00 1.46 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.25 7.81 56 E 7.55 4.16 0.00 1.84 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 2.27 2.37 0.00 *58 F 7.86 4.61 0.00 3.15 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 59 P 0.00 4.23 0.00 2.14 2.09 0.00 3.59 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 2.08 2.13 0.00 60 I 7.80 3.70 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.91 0.92 0.00 0.00 61 E 8.19 4.08 0.00 2.03 1.92 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 2.29 2.39 0.00 62 A 8.03 4.27 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 63 G 7.89 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 64 A 7.99 4.14 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 65 I 7.71 3.91 1.87 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 1.30 0.87 0.91 0.00 0.00 66 N 7.71 4.85 0.00 2.66 2.64 0.00 0.00 7.02 7.71 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 67 P 0.00 4.37 0.00 2.22 2.13 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 68 E 8.11 4.16 0.00 1.96 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 2.49 2.42 0.00 69 N 7.94 4.64 0.00 2.88 2.84 0.00 0.00 6.91 7.54 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 70 R 7.45 4.27 0.00 1.81 1.83 0.00 3.33 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 1.60 1.72 0.00 71 I 8.19 4.52 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.88 0.00 0.00 72 I 7.65 3.76 1.82 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 1.38 0.54 0.88 0.00 0.00 73 P 0.00 4.49 0.00 2.22 1.97 0.00 3.61 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.61 0.00 74 H 8.61 4.73 0.00 3.23 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.28 4.72 0.00 1.26 1.16 0.84 0.24 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 76 P 0.00 4.52 0.00 2.21 1.84 0.00 4.08 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 77 A 8.88 3.59 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 78 P 0.00 4.46 0.00 2.15 2.25 0.00 3.02 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 79 K 7.82 3.75 0.00 1.47 1.69 0.00 0.75 0.00 0.00 1.32 0.00 0.00 2.82 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.87 0.23 7.81 80 W 7.67 4.17 0.00 2.85 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 81 F 7.97 4.78 0.00 2.81 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 82 D 8.32 4.56 0.00 2.70 2.62 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 83 G 8.61 3.93 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 0.00 0.00 0.00 84 Q 8.43 4.08 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.36 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 85 R 8.06 4.95 0.00 1.86 1.89 0.00 3.44 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 86 A 7.78 4.00 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 87 A 7.27 3.80 -0.56 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 88 E 7.78 4.08 0.00 2.24 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 0.00 2.51 2.77 0.00 89 N 8.51 4.37 0.00 2.91 3.08 0.00 0.00 7.13 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 90 R 7.71 3.03 0.00 1.49 1.11 0.00 2.76 0.00 0.00 2.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.61 0.00 91 Q 7.96 4.07 0.00 2.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 92 G 7.80 3.62 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 93 T 7.51 4.00 4.41 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 1.44 0.00 0.00 94 L 8.29 4.23 0.00 1.80 1.85 0.38 0.98 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 95 T 7.94 3.95 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 1.24 0.00 0.00 96 E 7.99 4.03 0.00 2.22 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 0.00 2.38 2.51 0.00 97 Y 8.05 4.11 0.00 3.27 3.21 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 98 C 8.25 4.19 0.00 3.38 3.03 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 99 S 7.66 4.25 0.00 3.98 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 0.00 100 T 7.54 3.99 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 1.15 0.00 0.00 101 L 7.59 3.74 0.00 1.55 1.70 0.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *103 S 8.00 4.42 0.00 4.01 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 0.00 104 L 7.15 4.12 0.00 1.59 1.52 0.79 0.99 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 0.00 105 P 0.00 4.35 0.00 2.06 1.92 0.00 3.48 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 106 T 8.16 3.96 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 1.08 0.00 0.00 107 K 8.10 3.81 0.00 1.66 1.74 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.51 7.81 108 I 7.38 3.88 1.54 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.68 0.00 0.00 109 S 8.15 4.29 0.00 3.95 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 0.00 110 R 7.44 4.73 0.00 1.95 1.95 0.00 2.81 0.00 0.00 2.90 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 111 C 7.87 4.49 0.00 3.42 3.51 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 0.00 112 P 0.00 4.40 0.00 2.28 2.26 0.00 3.73 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 2.20 2.25 0.00 113 H 8.43 4.29 0.00 3.31 3.48 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.11 4.30 0.00 2.00 2.06 1.19 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.16 4.37 0.00 1.98 2.11 1.21 1.01 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 0.00 116 D 8.86 4.52 0.00 3.05 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 0.00 117 F 7.96 3.89 0.00 2.79 2.48 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 0.00 0.00 0.00 0.00 118 F 7.64 4.48 0.00 3.01 2.89 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 0.00 119 K 7.23 4.44 0.00 1.99 1.76 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.47 7.81 120 V 8.28 3.67 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 0.82 0.00 0.00 0.99 0.00 0.00 121 R 8.36 4.22 0.00 1.85 1.85 0.00 3.25 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 122 P 0.00 4.42 0.00 2.04 1.98 0.00 3.68 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 2.10 0.00 123 D 8.63 4.54 0.00 2.67 2.59 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 * Residues marked with a * may have inaccurate shift predictions.