NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6146 8.4131 118.1239 53.6938 40.5258 172.3284 3 G 3.7210 8.4533 104.7617 43.3598 0.0000 171.3025 4 A 5.2898 9.7646 121.7614 49.4127 23.8298 176.1037 5 R 4.3938 9.1020 117.2476 56.9873 31.8082 176.7423 6 K 5.0497 8.0468 118.6541 54.2531 35.9340 175.4238 7 W 5.2437 8.8611 123.9937 54.8459 33.0651 174.8706 8 F 5.1144 9.2010 121.0898 55.9021 42.9714 174.1613 9 F 4.6121 9.5420 121.3482 55.2535 41.3263 173.9012 10 P 4.3727 0.0000 0.0000 64.3592 31.4255 176.5887 11 D 4.6280 8.0269 118.4844 52.5622 40.3626 174.8306 12 G 3.3809 8.3146 111.5665 43.7617 0.0000 169.1512 13 Y 4.7123 8.7718 120.4798 56.8522 43.5160 172.6733 14 I 4.3480 7.8588 128.2877 59.1496 38.4346 174.0007 15 P 4.6092 0.0000 0.0000 62.4932 31.8502 176.3353 16 N 4.7742 8.5159 115.7581 52.6139 38.2388 175.2868 17 G 4.1990 8.0073 107.0448 45.7931 0.0000 172.7126 18 K 5.1249 8.2300 118.7571 55.3715 36.4608 175.8712 19 R 4.2536 9.0151 121.2571 54.2591 32.7577 175.4792 20 G 3.6519 8.7704 118.7640 47.3727 0.0000 173.2044 21 Y 4.4275 8.6433 122.1773 57.2616 38.3446 174.5658 22 L 4.4208 8.0427 124.2491 53.9499 42.5126 175.7389 23 V 4.6502 8.0070 119.1827 59.1944 34.0800 175.9211 24 S 4.4582 8.4429 119.5089 59.5509 63.6053 173.1517 25 H 4.6449 8.3469 117.2780 55.4534 32.3888 172.1019 26 E 5.1852 8.5432 116.5901 54.6633 33.7094 175.3038 27 S 5.0772 9.1107 119.3204 56.7113 66.2663 172.9875 28 L 4.2502 8.9659 128.5521 54.0210 42.6980 174.7456 29 C 4.8315 8.6860 125.5636 58.8020 29.4255 173.4239 30 I 4.9473 8.4574 124.0948 58.1901 41.4904 173.5384 *32 N 4.6537 8.6265 120.7480 54.2642 39.0826 174.1290 33 T 4.3584 8.5714 115.4964 61.3210 69.4546 175.1278 34 G 3.9588 8.1528 112.1207 45.3462 0.0000 173.4234 35 D 4.8104 8.5258 117.4616 53.9933 41.5764 176.0513 36 E 4.8413 7.6485 118.3718 54.3452 32.4878 176.0269 37 T 4.2204 8.5869 119.6299 63.7484 69.6023 173.4688 38 A 4.7767 9.0190 128.1146 50.4178 21.2717 175.6791 39 K 4.7489 9.7073 124.6127 54.8253 34.3497 174.8895 40 I 4.7652 8.9016 129.0695 59.4922 40.3156 174.5471 41 R 4.8432 9.1191 128.1312 55.0119 31.8230 174.8468 42 I 4.4971 9.0415 128.5759 60.0735 39.0809 174.7472 43 T 4.8924 8.1811 124.4370 62.0756 70.6653 173.7228 44 F 4.8606 9.5054 125.7501 55.8274 41.1469 174.8010 45 L 4.9711 8.7277 124.0294 53.1430 44.2674 175.6120 46 F 5.3780 8.5620 119.6055 55.6499 42.3635 175.2411 47 E 4.3095 9.2014 118.6447 59.4627 29.4258 178.1047 48 D 4.9452 7.9751 116.2503 53.9891 42.5499 174.8944 49 S 4.7762 8.0682 113.0173 56.5136 66.9171 174.1078 50 K 4.4280 8.3859 121.2938 55.3472 32.7152 175.4057 51 P 5.0056 0.0000 0.0000 63.0313 32.3605 176.1232 52 V 4.5998 8.9215 121.5582 61.1868 34.7943 174.2902 53 V 5.0459 8.6298 126.8404 61.5750 33.8605 174.1010 54 H 5.1198 9.6011 124.2908 54.0024 32.6662 172.3663 55 E 5.2350 8.6425 119.3799 54.9158 32.6467 174.7324 56 V 4.7220 8.8264 117.9667 60.0224 36.7976 173.8066 57 E 5.2622 8.6536 120.0724 54.7895 33.5637 175.3097 58 I 4.5772 8.4897 121.9547 59.3445 41.2415 175.1011 59 S 4.5532 8.7884 125.1598 57.0316 63.7361 173.0902 60 P 4.4148 0.0000 0.0000 63.0628 28.8281 175.7260 *62 K 4.1672 7.4344 118.1025 56.3382 33.9110 176.1620 63 S 4.9646 8.4703 115.4495 56.7370 65.4680 173.3410 64 L 4.4369 8.8528 126.5488 54.4127 45.1097 174.6258 65 H 4.9961 8.8935 125.0286 54.1338 28.9482 173.3777 66 L 4.1495 8.7366 126.1764 54.4386 43.2667 175.9022 67 R 4.6436 8.6077 126.3160 55.6749 30.1987 177.5548 68 L 4.0609 8.8112 125.7814 56.8311 41.8466 178.1881 69 D 4.5695 8.0316 116.2946 54.0741 39.6886 176.6435 70 K 4.5103 7.6323 119.0086 56.5094 32.4156 176.4822 71 L 4.3807 7.9595 116.4268 54.3022 42.1392 177.4153 72 G 3.8631 8.1679 106.6087 45.2669 0.0000 173.7620 73 I 3.7297 7.1159 120.5502 59.8144 37.6195 174.2244 74 P 4.2155 0.0000 0.0000 62.5829 31.6713 176.6182 75 K 4.0499 8.4005 121.9625 57.2600 32.6668 175.8749 76 C 3.2221 8.3207 115.6273 59.4509 26.2111 173.7890 77 K 4.6470 7.7037 118.9770 53.7129 33.9250 173.5333 78 P 5.0041 0.0000 0.0000 63.5669 32.1411 175.1094 79 Y 5.0076 8.6587 120.5833 56.5374 41.6221 173.1937 80 S 5.2648 9.2752 114.2432 57.2248 67.8918 173.6474 81 I 5.0926 8.9728 121.8636 58.3904 41.4029 173.8995 *83 A 4.4575 8.2983 122.5243 52.3329 20.2034 175.6870 84 E 5.0405 9.1764 121.7456 54.5478 32.6578 175.1539 85 S 5.3722 9.2985 119.7169 56.3905 64.7274 173.8986 86 N 4.6120 8.5805 121.9554 54.6182 37.7205 175.3876 87 V 4.6487 7.3673 110.5381 58.5220 35.8977 173.7595 88 P 4.5638 0.0000 0.0000 63.5186 31.9074 176.0185 89 V 4.5729 9.0746 116.1143 60.3291 37.1101 173.1871 90 V 4.0150 7.6946 120.0109 60.9423 35.7857 173.4010 *92 Q 4.5480 8.3560 121.8328 55.8097 30.6217 173.1382 93 L 4.8886 8.5571 127.1159 53.2666 44.7005 175.1969 94 S 5.0344 8.7760 121.3291 56.6500 67.3980 172.8759 95 R 4.9724 8.4988 122.2629 54.3883 33.5815 173.5681 96 L 4.8681 8.8877 128.2761 53.3368 44.6085 174.3755 97 D 5.1652 8.9712 127.2383 52.7783 42.9576 175.1463 98 V 4.7523 8.7200 119.4454 60.0318 36.2383 175.3418 99 G 4.1205 8.3308 108.3006 45.7121 0.0000 173.7304 100 K 4.1018 8.9450 120.2049 58.9754 32.1267 177.4886 101 N 5.0914 8.0348 113.0884 52.6290 39.4357 173.3074 102 H 4.8892 7.7681 111.6871 54.9754 31.5284 172.1422 103 Y 4.8216 8.2665 119.8657 57.5930 40.8073 173.2121 104 T 4.9137 8.9937 121.3187 60.8117 71.6190 172.3224 105 L 5.9790 8.2735 125.3270 52.1478 45.5659 175.1112 *107 T 4.4124 8.2425 113.3581 63.1300 68.4859 172.7502 108 T 4.6745 8.2427 117.1941 60.8826 71.2218 172.7126 109 I 4.3990 8.7262 128.1911 61.2621 39.1215 175.5714 110 G 3.7061 8.9979 114.8070 45.2729 0.0000 171.9906 111 Y 4.6154 8.3166 121.0142 56.5382 40.0259 174.3532 112 W 4.7884 6.1609 121.4533 54.6141 31.8837 173.3247 113 E 4.3221 8.5270 117.0568 56.8257 33.0939 170.9710 114 E 3.3584 8.9782 125.9986 56.3524 27.6816 173.8309 115 G 3.8979 8.3393 117.7224 46.5125 0.0000 172.2324 116 S 4.2587 7.8926 117.2751 58.7540 62.8670 175.0342 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 2 N 8.41 4.61 0.00 2.71 2.90 0.00 0.00 7.17 6.77 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 3 G 8.45 3.72 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 0.00 0.00 0.00 4 A 9.76 5.29 0.92 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 0.00 0.00 5 R 9.10 4.39 0.00 1.95 2.14 0.00 3.09 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 6 K 8.05 5.05 0.00 1.87 1.55 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 7 W 8.86 5.24 0.00 3.10 3.12 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 8 F 9.20 5.11 0.00 3.01 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 9 F 9.54 4.61 0.00 3.00 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 10 P 0.00 4.37 0.00 2.06 2.12 0.00 3.80 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 11 D 8.03 4.63 0.00 2.69 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 12 G 8.31 3.38 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 0.00 13 Y 8.77 4.71 0.00 2.92 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 14 I 7.86 4.35 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.88 0.00 0.00 15 P 0.00 4.61 0.00 2.08 2.11 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 16 N 8.52 4.77 0.00 2.79 2.87 0.00 0.00 6.04 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 17 G 8.01 4.20 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 0.00 18 K 8.23 5.12 0.00 1.81 1.72 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.39 7.81 19 R 9.02 4.25 0.00 1.96 1.81 0.00 3.35 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 20 G 8.77 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.64 4.43 0.00 3.04 2.98 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 22 L 8.04 4.42 0.00 1.81 1.76 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.01 4.65 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 0.82 0.00 0.00 0.95 0.00 0.00 24 S 8.44 4.46 0.00 3.90 3.85 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 25 H 8.35 4.64 0.00 3.35 3.37 0.00 5.40 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 26 E 8.54 5.19 0.00 2.00 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 2.31 2.43 0.00 27 S 9.11 5.08 0.00 3.70 3.72 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 28 L 8.97 4.25 0.00 1.66 1.52 0.53 0.63 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 29 C 8.69 4.83 0.00 2.75 2.57 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 0.00 30 I 8.46 4.95 1.80 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 0.96 1.71 0.80 0.00 0.00 *32 N 8.63 4.65 0.00 2.72 2.92 0.00 0.00 6.80 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 33 T 8.57 4.36 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 1.18 0.00 0.00 34 G 8.15 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 35 D 8.53 4.81 0.00 2.66 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 36 E 7.65 4.84 0.00 1.81 1.82 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 2.20 2.30 0.00 37 T 8.59 4.22 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 1.28 0.00 0.00 38 A 9.02 4.78 1.23 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 0.00 0.00 0.00 39 K 9.71 4.75 0.00 1.79 1.69 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.40 7.81 40 I 8.90 4.77 1.88 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 1.13 0.68 0.97 0.00 0.00 41 R 9.12 4.84 0.00 1.86 1.80 0.00 3.08 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 42 I 9.04 4.50 1.88 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 1.18 0.51 0.36 0.00 0.00 43 T 8.18 4.89 4.19 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 1.24 0.00 0.00 44 F 9.51 4.86 0.00 2.96 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 4.97 0.00 1.57 1.58 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.56 5.38 0.00 3.18 3.06 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 0.00 0.00 0.00 47 E 9.20 4.31 0.00 2.08 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 0.00 2.40 2.47 0.00 48 D 7.98 4.95 0.00 2.65 2.63 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 49 S 8.07 4.78 0.00 3.72 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 50 K 8.39 4.43 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 51 P 0.00 5.01 0.00 2.03 2.08 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 52 V 8.92 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 1.03 0.00 0.00 1.11 0.00 0.00 53 V 8.63 5.05 2.13 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 0.97 0.00 0.00 0.99 0.00 0.00 54 H 9.60 5.12 0.00 3.35 3.29 0.00 5.81 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 55 E 8.64 5.24 0.00 1.94 1.78 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 2.19 2.45 0.00 56 V 8.83 4.72 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 0.69 0.00 0.00 0.94 0.00 0.00 57 E 8.65 5.26 0.00 1.79 1.80 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 2.31 2.28 0.00 58 I 8.49 4.58 1.86 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 1.21 1.73 0.90 0.00 0.00 59 S 8.79 4.55 0.00 3.79 3.78 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 60 P 0.00 4.41 0.00 2.03 2.19 0.00 3.70 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 2.02 2.21 0.00 *62 K 7.43 4.17 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.38 7.81 63 S 8.47 4.96 0.00 3.84 3.70 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 64 L 8.85 4.44 0.00 1.73 1.43 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.89 5.00 0.00 3.00 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.74 4.15 0.00 1.76 1.70 0.93 0.91 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 67 R 8.61 4.64 0.00 1.75 2.03 0.00 3.26 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 68 L 8.81 4.06 0.00 1.72 1.77 1.14 1.09 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 69 D 8.03 4.57 0.00 2.77 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 70 K 7.63 4.51 0.00 1.66 1.78 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.33 7.81 71 L 7.96 4.38 0.00 1.25 1.22 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.17 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 73 I 7.12 3.73 1.57 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.12 0.61 0.00 0.00 74 P 0.00 4.22 0.00 1.96 1.93 0.00 3.54 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 75 K 8.40 4.05 0.00 1.68 1.64 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.40 7.81 76 C 8.32 3.22 0.00 3.02 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 77 K 7.70 4.65 0.00 1.71 1.95 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.62 1.54 7.81 78 P 0.00 5.00 0.00 2.13 2.07 0.00 3.96 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 79 Y 8.66 5.01 0.00 2.78 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 80 S 9.28 5.26 0.00 3.79 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 81 I 8.97 5.09 2.12 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 1.09 1.97 0.75 0.00 0.00 *83 A 8.30 4.46 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 84 E 9.18 5.04 0.00 1.86 1.83 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 2.17 2.13 0.00 85 S 9.30 5.37 0.00 3.85 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 86 N 8.58 4.61 0.00 2.84 2.94 0.00 0.00 6.69 7.57 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 87 V 7.37 4.65 2.10 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 0.72 0.00 0.00 0.95 0.00 0.00 88 P 0.00 4.56 0.00 2.02 2.11 0.00 3.67 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 2.04 2.15 0.00 89 V 9.07 4.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.01 0.00 0.00 90 V 7.69 4.02 1.85 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 0.65 0.00 0.00 0.89 0.00 0.00 *92 Q 8.36 4.55 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 93 L 8.56 4.89 0.00 0.29 1.11 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.78 5.03 0.00 3.76 3.68 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 0.00 0.00 0.00 0.00 95 R 8.50 4.97 0.00 1.98 1.73 0.00 3.17 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 96 L 8.89 4.87 0.00 1.53 1.08 0.38 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.97 5.17 0.00 2.76 2.55 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 0.00 0.00 0.00 98 V 8.72 4.75 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 0.17 0.00 0.00 0.88 0.00 0.00 99 G 8.33 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 0.00 0.00 0.00 100 K 8.94 4.10 0.00 1.70 1.87 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 101 N 8.03 5.09 0.00 2.76 2.79 0.00 0.00 6.68 8.16 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 0.00 102 H 7.77 4.89 0.00 3.41 3.38 0.00 5.50 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.27 4.82 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.99 4.91 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 1.32 0.00 0.00 105 L 8.27 5.98 0.00 1.59 1.60 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *107 T 8.24 4.41 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 0.00 108 T 8.24 4.67 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 1.46 0.00 0.00 109 I 8.73 4.40 2.04 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 1.54 1.25 1.22 0.00 0.00 110 G 9.00 3.71 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 0.00 0.00 0.00 111 Y 8.32 4.62 0.00 2.98 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 0.00 112 W 6.16 4.79 0.00 1.78 1.74 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 0.00 113 E 8.53 4.32 0.00 1.90 1.66 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 0.00 2.30 2.24 0.00 114 E 8.98 3.36 0.00 2.18 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 2.26 2.25 0.00 115 G 8.34 3.90 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 0.00 0.00 0.00 116 S 7.89 4.26 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.