NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3953 8.3344 115.3981 58.2456 64.3518 172.7688 5 L 4.0410 7.8126 119.5242 52.8488 44.4870 172.5561 6 K 4.5662 9.1266 123.3286 56.6225 34.7657 176.3190 7 K 4.2538 7.7311 122.9048 53.5073 30.8178 175.9176 8 G 4.0677 8.0799 109.4095 45.1928 0.0000 172.9439 9 V 3.2095 8.6996 122.1135 63.6114 31.5333 175.8832 10 F 3.9089 8.1254 111.8044 58.0714 37.8527 177.9872 11 V 3.9533 7.1586 121.8268 61.9577 32.0424 174.7410 12 D 5.0158 8.3782 117.0544 53.3079 44.8821 175.9984 13 D 4.4498 8.6690 121.3326 57.0161 41.5053 178.5021 14 H 4.3019 8.3479 112.1823 57.3402 28.8482 175.3761 15 L 4.5733 7.7845 118.5519 55.8084 44.5518 178.1022 16 L 3.9176 7.9027 119.5633 58.5181 40.4772 178.9928 17 E 3.9772 8.4307 118.4498 59.1939 29.1933 178.6434 18 K 3.8945 7.7459 116.6849 57.4678 32.4197 177.5674 19 V 4.0069 7.7947 117.4882 65.4993 32.3890 177.4062 20 L 4.0145 7.9586 116.5473 56.9807 41.7016 178.0290 21 E 4.2807 7.6393 116.2980 57.8921 30.3668 178.4495 22 L 5.1095 8.0152 119.0965 56.3952 41.9744 178.5459 23 N 4.3272 8.1644 114.5766 54.6108 38.8579 174.5500 24 A 4.4674 7.3392 120.0118 53.2677 19.3358 176.1374 25 K 4.1225 8.8633 122.2129 55.4917 30.2159 175.9583 26 G 3.8132 7.6465 107.5742 45.9283 0.0000 173.1676 27 E 4.7921 8.0896 124.8378 55.5786 32.8482 176.4223 28 K 5.1596 8.3403 126.7664 56.7268 31.2432 177.7303 29 R 4.3988 8.5094 122.0261 57.1955 33.3511 173.2675 30 L 4.0190 8.4312 122.4134 55.5471 42.1925 175.6971 31 I 4.7772 8.2321 125.4146 59.0282 42.3003 173.4017 32 K 4.6636 8.6413 124.8636 54.9019 34.5258 175.7192 33 T 4.7841 7.8368 119.8005 61.8334 72.4310 175.4620 34 W 5.1153 8.5489 117.5719 57.9608 32.4831 175.9169 35 S 4.8782 7.9228 114.2942 56.7376 61.8498 174.6817 36 R 4.2522 7.8610 120.2101 58.3416 30.4270 179.8698 37 R 3.9900 8.0187 118.2513 59.1563 30.5091 177.0881 38 S 4.5891 7.8995 112.2950 58.3487 64.4104 172.9122 39 T 4.7855 7.4834 117.7493 63.8132 69.1804 175.7163 40 I 4.0472 7.5467 110.9616 61.4876 37.9423 174.1154 41 V 3.8285 8.0637 127.3629 60.3708 32.5685 174.1609 42 P 3.9914 0.0000 0.0000 62.4790 32.1200 175.8711 43 E 4.1926 9.0812 118.1755 56.3644 28.0154 174.7899 44 M 4.6575 7.6691 116.0021 55.8563 34.2576 173.8511 45 V 4.5716 7.1055 112.2500 60.5198 30.7967 174.0519 46 G 4.0909 7.5175 118.4607 43.6242 0.0000 171.0711 47 H 4.9584 8.1070 119.5649 55.2253 30.2563 174.9898 48 T 4.9209 8.2502 108.7061 60.1770 72.0442 172.7005 49 I 4.6031 8.1958 117.5543 58.9423 40.7000 175.1485 50 A 4.5525 8.8863 129.2447 50.3468 17.2703 175.3251 51 V 3.7276 7.7931 120.6508 63.0390 32.9253 174.8951 52 Y 5.0000 7.9492 127.3388 56.5070 39.8494 175.2481 53 N 4.7457 7.5112 115.0047 53.0866 39.4210 174.9255 54 G 4.0295 6.7192 107.2791 45.4806 0.0000 174.3167 55 K 4.2579 7.4645 118.2647 57.3950 34.0539 174.9486 56 Q 4.5906 7.0325 113.6745 55.8347 31.6549 172.1038 57 H 4.8407 8.6680 115.8197 55.4553 30.0077 176.6239 58 V 4.0501 8.9445 125.0707 60.1317 30.1957 170.5276 59 P 4.4385 0.0000 0.0000 62.2002 31.5106 174.6443 60 V 4.3348 8.2168 124.3421 59.7895 33.7670 175.7871 61 Y 4.6394 8.4334 128.0469 58.2472 41.3557 173.6285 62 I 3.8460 5.4200 116.6523 61.0495 40.5238 174.3740 63 T 4.6581 8.0867 126.6581 60.6704 69.5568 174.1149 64 E 4.2594 8.5419 122.9922 56.2190 30.5226 176.4653 65 N 4.1202 9.1178 113.6028 55.4760 38.4402 175.5921 66 M 4.5943 7.6395 114.5697 54.2189 30.3510 175.8348 67 V 4.2783 6.9974 113.3299 63.2396 33.7449 179.9714 68 G 3.9267 7.7075 107.6885 45.3711 0.0000 172.9825 69 H 5.1242 7.7312 114.1815 53.3981 33.6643 176.7397 70 K 5.2048 8.1178 120.1462 56.1326 31.9231 175.5880 71 L 4.7424 8.2571 117.0869 57.5505 43.8045 179.0744 72 G 3.7527 8.0945 106.9495 48.4173 0.0000 174.4567 73 E 3.9867 8.0923 116.9746 57.1608 29.1305 176.6602 74 F 4.8830 8.1788 112.7534 57.3419 41.3235 175.8541 75 A 4.6901 8.3798 124.1504 50.1195 20.2630 174.8571 76 P 4.4288 0.0000 0.0000 62.7757 32.0143 177.2834 77 T 4.4080 8.1846 106.2617 61.1602 70.2318 174.0382 78 R 4.2072 7.8994 121.9636 55.4538 30.6584 175.8266 79 T 4.4268 8.2908 120.7408 62.5369 68.7607 173.6350 80 Y 4.7086 8.1079 125.7823 56.5770 41.6749 173.9439 81 R 4.3069 7.7705 125.0224 55.7218 32.9898 175.9623 82 G 3.7435 6.0772 104.0395 46.6212 0.0000 171.0178 83 H 4.9398 8.8743 115.3098 56.6950 36.1910 173.4150 84 G 4.4012 7.7852 108.2315 43.9497 0.0000 170.5411 85 K 4.5507 7.9495 119.6368 56.5808 35.3606 175.4900 86 E 4.9184 7.9076 110.4228 56.2454 31.1943 176.1338 87 A 4.5053 7.7459 128.9319 50.7178 19.6668 177.2931 *88 K 4.1283 7.8207 125.6245 54.1647 32.4811 177.5939 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 S 8.33 4.40 0.00 3.99 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 5 L 7.81 4.04 0.00 1.26 1.12 0.99 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.13 4.57 0.00 1.89 1.90 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.46 7.81 7 K 7.73 4.25 0.00 1.74 1.82 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.50 7.81 8 G 8.08 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 9 V 8.70 3.21 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 0.71 0.00 0.00 0.85 0.00 0.00 10 F 8.13 3.91 0.00 3.28 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 11 V 7.16 3.95 1.94 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 0.67 0.00 0.00 0.90 0.00 0.00 12 D 8.38 5.02 0.00 2.81 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 13 D 8.67 4.45 0.00 2.70 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 14 H 8.35 4.30 0.00 3.25 3.43 0.00 5.48 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 15 L 7.78 4.57 0.00 1.66 1.68 0.93 0.32 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 16 L 7.90 3.92 0.00 1.97 1.81 0.91 1.36 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 17 E 8.43 3.98 0.00 2.05 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 0.00 2.33 2.47 0.00 18 K 7.75 3.89 0.00 1.77 2.00 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 19 V 7.79 4.01 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 1.02 0.00 0.00 0.93 0.00 0.00 20 L 7.96 4.01 0.00 1.66 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.64 4.28 0.00 2.24 2.19 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 2.41 2.25 0.00 22 L 8.02 5.11 0.00 1.75 1.73 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.16 4.33 0.00 2.72 2.89 0.00 0.00 6.78 7.35 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 24 A 7.34 4.47 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 25 K 8.86 4.12 0.00 1.99 2.34 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.36 7.81 26 G 7.65 3.81 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 0.00 0.00 0.00 27 E 8.09 4.79 0.00 2.04 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 2.26 2.31 0.00 28 K 8.34 5.16 0.00 1.76 1.52 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 29 R 8.51 4.40 0.00 2.02 2.07 0.00 3.15 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 30 L 8.43 4.02 0.00 1.69 1.72 0.93 0.92 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 31 I 8.23 4.78 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 1.00 0.00 0.00 32 K 8.64 4.66 0.00 1.83 1.36 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.07 1.40 7.81 33 T 7.84 4.78 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 1.26 0.00 0.00 34 W 8.55 5.12 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 35 S 7.92 4.88 0.00 4.15 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 36 R 7.86 4.25 0.00 2.19 2.27 0.00 3.03 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 37 R 8.02 3.99 0.00 1.93 2.12 0.00 3.30 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 38 S 7.90 4.59 0.00 3.99 4.08 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 39 T 7.48 4.79 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 1.17 0.00 0.00 40 I 7.55 4.05 1.81 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 1.60 0.74 0.88 0.00 0.00 41 V 8.06 3.83 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 0.71 0.00 0.00 0.88 0.00 0.00 42 P 0.00 3.99 0.00 2.03 2.04 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 43 E 9.08 4.19 0.00 1.98 2.35 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 2.24 2.27 0.00 44 M 7.67 4.66 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 45 V 7.11 4.57 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 0.55 0.00 0.00 0.88 0.00 0.00 46 G 7.52 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.11 4.96 0.00 2.96 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.25 4.92 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 1.46 0.00 0.00 49 I 8.20 4.60 1.84 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 1.11 0.91 0.88 0.00 0.00 50 A 8.89 4.55 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 51 V 7.79 3.73 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 0.94 0.00 0.00 0.95 0.00 0.00 52 Y 7.95 5.00 0.00 2.43 2.58 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 N 7.51 4.75 0.00 2.66 2.70 0.00 0.00 6.26 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 6.72 4.03 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 0.00 55 K 7.46 4.26 0.00 1.57 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.28 7.81 56 Q 7.03 4.59 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 57 H 8.67 4.84 0.00 3.06 3.19 0.00 5.68 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 58 V 8.94 4.05 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 0.77 0.00 0.00 0.89 0.00 0.00 59 P 0.00 4.44 0.00 1.98 2.08 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 60 V 8.22 4.33 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 0.89 0.00 0.00 0.93 0.00 0.00 61 Y 8.43 4.64 0.00 3.06 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 62 I 5.42 3.85 1.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.62 0.56 0.00 0.00 63 T 8.09 4.66 4.34 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 1.25 0.00 0.00 64 E 8.54 4.26 0.00 2.10 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 2.29 0.00 65 N 9.12 4.12 0.00 2.99 3.02 0.00 0.00 5.90 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 66 M 7.64 4.59 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.83 0.00 67 V 7.00 4.28 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 0.94 0.00 0.00 68 G 7.71 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 69 H 7.73 5.12 0.00 3.54 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.12 5.20 0.00 1.96 2.13 0.00 1.91 0.00 0.00 2.09 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.62 7.81 71 L 8.26 4.74 0.00 1.71 1.73 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.09 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 73 E 8.09 3.99 0.00 1.79 1.55 0.00 0.00 0.00 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 2.07 0.00 74 F 8.18 4.88 0.00 3.21 2.94 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 75 A 8.38 4.69 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 76 P 0.00 4.43 0.00 2.17 2.07 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 77 T 8.18 4.41 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 78 R 7.90 4.21 0.00 1.80 1.90 0.00 3.32 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 79 T 8.29 4.43 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 80 Y 8.11 4.71 0.00 2.87 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 81 R 7.77 4.31 0.00 1.60 1.66 0.00 3.36 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 82 G 6.08 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 83 H 8.87 4.94 0.00 3.18 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.79 4.40 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 0.00 85 K 7.95 4.55 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.34 7.81 86 E 7.91 4.92 0.00 1.88 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 2.07 2.17 0.00 87 A 7.75 4.51 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 *88 K 7.82 4.13 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.