NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 3.9926 8.2129 119.0069 55.8008 30.8482 176.9067 5 R 3.8128 8.1371 121.2841 55.2416 29.8072 172.8621 6 W 4.6107 7.3152 111.5360 57.0434 29.6414 174.8952 7 F 4.8694 7.1440 122.8620 57.3679 39.3470 174.5035 8 H 4.4940 8.5845 126.6391 53.4350 29.3598 173.5564 9 P 3.9237 0.0000 0.0000 64.4889 31.9949 177.1008 10 N 5.1111 7.7111 112.5170 51.0083 36.8482 173.5701 11 I 4.6475 7.1538 119.0972 59.7346 41.9146 176.4334 12 T 4.4535 8.2821 120.3902 62.6316 70.8066 176.2675 13 G 3.6853 8.6387 109.8703 48.1172 0.0000 176.1948 14 V 3.7165 7.6955 119.7313 65.9959 31.7260 177.5051 15 E 4.0489 8.0657 117.4712 58.1935 29.4970 178.3396 16 A 3.9594 8.0967 121.4513 55.4308 18.5926 179.3980 17 E 3.9382 8.4911 117.3879 59.3251 29.5552 178.9742 18 N 4.2337 8.2292 117.1813 56.7265 39.0610 176.7943 19 L 3.9403 7.9834 119.9837 58.0212 41.4084 179.7812 20 L 4.2520 8.3160 118.8811 57.3321 41.2485 179.1722 21 L 4.2544 7.7827 117.9811 56.2982 41.9649 178.1803 22 T 4.3128 7.6916 108.2784 62.7049 69.8013 175.7354 23 R 4.3363 8.4599 118.4468 55.7175 31.3915 176.0982 24 G 4.0656 7.4366 106.2154 43.9571 0.0000 172.6940 25 V 4.5369 8.0603 111.3514 58.7940 35.1216 175.3616 26 D 4.7718 8.5605 121.6349 55.7445 40.9185 176.7287 27 G 4.0523 8.9798 111.5996 45.2501 0.0000 173.5752 28 S 5.7406 8.8334 116.9563 58.0968 64.5651 173.1772 29 F 5.6419 8.3346 116.3198 56.2218 41.6297 172.3934 30 L 5.0338 8.5843 117.1875 54.8456 43.7826 173.7845 31 A 5.5485 9.5097 122.1629 50.5519 22.1996 175.8081 32 R 5.3884 9.5924 116.8320 53.3454 33.7725 172.2963 33 P 5.2950 0.0000 0.0000 62.3753 32.5753 176.0254 34 S 4.3683 8.9068 119.1138 59.1356 62.6681 174.8028 35 K 4.3238 8.6667 126.9618 56.7945 32.3816 178.7001 36 S 4.3688 8.0469 113.1957 60.1525 63.5683 173.8860 37 N 4.8835 7.6815 118.4377 49.5626 38.5245 170.1063 38 P 4.3700 0.0000 0.0000 63.8958 32.0430 176.7199 39 G 3.9400 9.0037 111.1843 45.0756 0.0000 172.6385 40 D 4.3749 7.6391 119.4890 52.7340 44.0257 174.9305 41 F 5.7196 8.1878 116.1430 56.6519 43.8633 174.5019 42 T 5.2226 9.4397 115.9570 62.3176 73.3335 173.2612 43 L 5.0262 9.3156 126.6541 53.9742 43.4959 175.9606 44 S 5.1377 9.1569 121.8258 57.2777 64.1301 173.6960 45 V 4.7723 8.6026 125.5383 61.2315 34.2661 174.2610 46 R 5.0775 8.6453 125.3741 54.5849 32.5279 174.6021 47 R 4.6550 8.9978 125.7653 55.3594 33.9270 174.2888 48 N 3.9471 9.6138 121.0754 54.9795 35.8133 174.4725 49 G 3.9057 8.8690 102.4097 45.9785 0.0000 171.6747 50 A 4.7637 8.1846 121.7477 50.0309 22.2788 174.9821 51 V 4.7247 8.1208 118.9927 61.8265 33.1081 175.2238 52 T 4.7715 8.8197 123.6056 62.0486 72.2245 172.6429 53 H 5.3927 8.7021 119.8285 54.1617 32.2649 172.9549 54 I 4.5718 8.9218 124.0352 59.1986 39.8686 175.2690 55 K 4.7412 8.9308 126.9601 56.5202 32.9417 176.3588 56 I 4.5860 8.6231 125.2641 59.6051 39.3965 175.0039 57 Q 3.8284 9.0125 129.5152 55.2849 30.0525 173.8456 58 N 4.7934 8.6170 126.1421 52.2131 39.6286 174.3322 59 T 3.9021 8.2850 117.1899 61.5502 69.5155 175.8228 60 G 3.8754 7.9836 111.1279 45.2830 0.0000 173.9862 61 D 4.6647 6.9956 117.3765 54.8457 42.3383 175.0579 62 Y 4.8212 6.4002 115.4513 56.9324 40.9642 172.0668 63 Y 5.8399 9.1097 117.0207 55.8877 41.7198 175.0323 64 D 5.0654 8.5575 120.3031 52.7938 42.8694 175.2111 65 L 4.6501 8.0053 117.0704 56.0971 41.4761 176.6864 66 Y 3.5889 8.2441 110.8274 57.9404 36.2037 170.6796 67 G 4.2874 8.4733 103.2919 43.8094 0.0000 172.9600 68 G 3.8577 8.2278 106.2001 43.8532 0.0000 173.3673 69 E 3.7547 8.2627 117.6608 55.8997 29.9056 176.4182 70 K 4.4453 7.4281 119.5952 54.9058 35.1966 175.3738 71 F 5.0857 8.9231 118.3454 55.8240 42.6136 175.9997 72 A 4.5096 9.4080 125.8328 54.1101 19.3066 178.4880 73 T 4.8472 7.6232 104.5196 59.0029 73.4111 174.6969 74 L 3.4128 7.6413 122.5801 58.1669 42.2362 179.0775 75 A 4.3892 7.9246 120.0820 54.8923 18.3274 179.1455 76 E 3.8490 7.7590 118.1948 59.1262 29.7603 178.5038 77 L 2.0000 7.1850 119.9408 57.7236 42.0923 179.2063 78 V 3.2771 7.4162 117.9282 65.8541 31.2718 177.7737 79 Q 3.9226 7.8766 119.2786 58.9880 28.7785 177.3466 80 Y 3.8943 7.6737 120.5943 61.0753 38.6634 177.7898 81 Y 4.0550 7.4316 116.1295 61.3510 37.9696 178.4391 82 M 4.4066 7.6684 120.2935 57.3154 32.1486 177.7692 83 E 4.3542 7.8636 116.4926 56.3596 31.4109 176.4516 84 H 4.5741 7.7998 116.7757 53.6698 29.0102 173.6267 85 H 4.4679 8.2533 118.4000 57.2389 28.9767 176.6198 86 G 3.8691 7.8835 107.2368 46.4544 0.0000 174.4560 87 Q 4.2778 7.9129 117.4309 56.2333 29.2251 175.3770 88 L 4.6262 7.9403 121.0937 53.1518 42.9773 174.7429 89 K 5.0598 8.5176 125.5574 54.6021 34.7726 177.1702 90 E 4.2079 9.2218 125.7987 56.3962 27.6506 175.9247 91 K 3.8588 7.8119 126.0127 56.9952 31.9590 176.5083 92 N 4.6891 7.6414 115.1885 52.5234 36.6658 177.8660 93 G 4.0030 8.1414 109.6420 48.0057 0.0000 173.9530 94 D 4.4102 8.0370 120.1156 54.1935 41.3200 175.4165 95 V 4.4617 8.2087 123.8540 62.3387 32.7538 175.0775 96 I 4.4341 8.5737 128.6935 59.5743 39.1008 174.9080 97 E 4.1938 8.7161 127.2701 55.3934 30.3990 176.7520 98 L 4.1511 8.2639 124.6170 53.5772 41.3229 176.2544 99 K 4.0214 8.4905 122.4305 57.0522 34.5639 176.3614 100 Y 4.9014 8.4857 118.8609 55.2957 41.0731 173.6396 101 P 3.4528 0.0000 0.0000 62.6943 31.9424 176.4869 102 L 4.1483 8.8494 129.5062 54.4369 42.4617 177.0914 *103 N 4.5523 8.4600 122.2438 52.3831 38.2962 172.0263 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 R 8.21 3.99 0.00 1.75 1.89 0.00 3.21 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 5 R 8.14 3.81 0.00 1.91 1.87 0.00 3.23 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 6 W 7.32 4.61 0.00 3.35 3.09 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 7 F 7.14 4.87 0.00 2.12 2.76 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 8 H 8.58 4.49 0.00 3.14 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 3.92 0.00 2.04 2.22 0.00 3.52 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 2.00 2.03 0.00 10 N 7.71 5.11 0.00 2.77 2.80 0.00 0.00 5.77 7.81 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 11 I 7.15 4.65 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.88 0.00 0.00 12 T 8.28 4.45 4.31 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 1.21 0.00 0.00 13 G 8.64 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 14 V 7.70 3.72 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 1.03 0.00 0.00 0.93 0.00 0.00 15 E 8.07 4.05 0.00 2.03 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 2.36 2.30 0.00 16 A 8.10 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.49 3.94 0.00 2.21 2.03 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 2.35 2.54 0.00 18 N 8.23 4.23 0.00 2.88 2.94 0.00 0.00 7.17 6.28 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 19 L 7.98 3.94 0.00 1.86 1.65 0.80 0.51 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 20 L 8.32 4.25 0.00 1.73 1.73 0.98 0.56 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 21 L 7.78 4.25 0.00 1.71 1.72 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.69 4.31 4.23 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 1.21 0.00 0.00 23 R 8.46 4.34 0.00 1.87 1.98 0.00 3.30 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 1.56 1.67 0.00 24 G 7.44 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 25 V 8.06 4.54 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 0.75 0.00 0.00 0.85 0.00 0.00 26 D 8.56 4.77 0.00 2.73 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 27 G 8.98 4.05 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 28 S 8.83 5.74 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 29 F 8.33 5.64 0.00 3.03 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 30 L 8.58 5.03 0.00 2.13 1.81 0.94 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.51 5.55 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 0.00 0.00 0.00 0.00 0.00 32 R 9.59 5.39 0.00 1.79 2.05 0.00 3.07 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 33 P 0.00 5.30 0.00 2.18 2.36 0.00 3.77 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 2.03 2.24 0.00 34 S 8.91 4.37 0.00 3.87 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 35 K 8.67 4.32 0.00 1.81 1.69 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 0.98 7.81 36 S 8.05 4.37 0.00 3.96 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 N 7.68 4.88 0.00 2.77 2.75 0.00 0.00 7.16 8.03 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 38 P 0.00 4.37 0.00 2.02 2.01 0.00 3.63 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 2.02 2.25 0.00 39 G 9.00 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 40 D 7.64 4.37 0.00 2.80 2.54 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 41 F 8.19 5.72 0.00 3.23 3.29 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 42 T 9.44 5.22 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 1.35 0.00 0.00 43 L 9.32 5.03 0.00 1.58 1.63 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.16 5.14 0.00 3.84 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 45 V 8.60 4.77 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 1.03 0.00 0.00 0.90 0.00 0.00 46 R 8.65 5.08 0.00 1.95 1.79 0.00 3.21 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 47 R 9.00 4.65 0.00 1.86 1.67 0.00 3.26 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 48 N 9.61 3.95 0.00 2.82 2.83 0.00 0.00 6.97 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 49 G 8.87 3.91 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 0.00 0.00 0.00 50 A 8.18 4.76 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 51 V 8.12 4.72 2.04 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 0.75 0.00 0.00 0.93 0.00 0.00 52 T 8.82 4.77 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 1.20 0.00 0.00 53 H 8.70 5.39 0.00 2.99 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.92 4.57 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.91 0.00 0.00 55 K 8.93 4.74 0.00 1.83 2.04 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.36 7.81 56 I 8.62 4.59 2.19 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 1.26 0.00 0.00 57 Q 9.01 3.83 0.00 0.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 58 N 8.62 4.79 0.00 2.73 2.58 0.00 0.00 7.20 7.70 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 59 T 8.28 3.90 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 0.65 0.00 0.00 60 G 7.98 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 0.00 0.00 0.00 61 D 7.00 4.66 0.00 2.50 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 62 Y 6.40 4.82 0.00 3.14 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 63 Y 9.11 5.84 0.00 3.20 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 64 D 8.56 5.07 0.00 2.93 2.95 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 65 L 8.01 4.65 0.00 1.81 1.75 0.37 0.92 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 66 Y 8.24 3.59 0.00 3.08 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 67 G 8.47 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 0.00 0.00 0.00 0.00 68 G 8.23 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 0.00 0.00 0.00 69 E 8.26 3.75 0.00 1.16 1.12 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 1.65 1.87 0.00 70 K 7.43 4.45 0.00 1.29 1.06 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.82 0.97 7.81 71 F 8.92 5.09 0.00 3.31 3.07 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 72 A 9.41 4.51 1.39 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 0.00 0.00 73 T 7.62 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 1.28 0.00 0.00 74 L 7.64 3.41 0.00 1.12 1.44 0.81 0.40 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 75 A 7.92 4.39 1.46 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 0.00 0.00 0.00 76 E 7.76 3.85 0.00 2.10 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 0.00 2.47 2.41 0.00 77 L 7.19 2.00 0.00 1.26 1.55 1.11 1.23 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 78 V 7.42 3.28 1.57 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 0.15 0.00 0.00 0.12 0.00 0.00 79 Q 7.88 3.92 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 80 Y 7.67 3.89 0.00 3.05 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 81 Y 7.43 4.06 0.00 2.93 2.85 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 82 M 7.67 4.41 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 83 E 7.86 4.35 0.00 1.95 1.76 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 2.22 2.41 0.00 84 H 7.80 4.57 0.00 2.62 2.90 0.00 5.81 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.25 4.47 0.00 3.06 3.39 0.00 5.71 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 86 G 7.88 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 87 Q 7.91 4.28 0.00 2.33 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 88 L 7.94 4.63 0.00 1.45 1.56 0.74 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.52 5.06 0.00 1.77 1.80 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.42 7.81 90 E 9.22 4.21 0.00 2.01 1.97 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 2.50 2.24 0.00 91 K 7.81 3.86 0.00 1.93 1.70 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 0.97 7.81 92 N 7.64 4.69 0.00 2.86 3.04 0.00 0.00 5.89 6.92 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 93 G 8.14 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 0.00 0.00 0.00 0.00 94 D 8.04 4.41 0.00 2.87 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 4.46 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 0.79 0.00 0.00 0.99 0.00 0.00 96 I 8.57 4.43 1.79 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 1.20 0.75 0.87 0.00 0.00 97 E 8.72 4.19 0.00 1.72 1.63 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 2.47 2.29 0.00 98 L 8.26 4.15 0.00 1.36 0.79 0.59 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.49 4.02 0.00 0.79 0.74 0.00 1.20 0.00 0.00 1.40 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.75 1.08 7.81 100 Y 8.49 4.90 0.00 2.85 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 0.00 101 P 0.00 3.45 0.00 1.98 2.07 0.00 3.77 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 2.19 2.21 0.00 102 L 8.85 4.15 0.00 1.67 1.56 0.91 0.59 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 *103 N 8.46 4.55 0.00 2.70 2.60 0.00 0.00 6.77 7.56 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 * Residues marked with a * may have inaccurate shift predictions.