NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7058 8.1476 118.3402 55.4028 33.6567 173.4043 2 I 4.9084 8.7109 111.9693 58.8896 41.6649 172.4819 3 I 4.9795 8.8023 123.9313 59.5461 40.6000 176.0788 4 V 4.8805 9.1108 126.2451 61.2864 34.4702 173.2794 5 Y 5.4089 9.3322 129.5057 56.3212 41.0911 174.2645 6 T 5.4603 8.6324 119.8890 60.1251 71.6884 172.0900 7 T 4.8927 7.7949 113.4758 59.7852 72.0735 172.9865 8 F 4.4968 8.7306 120.7000 54.8327 42.8039 174.5970 9 P 4.4690 0.0000 0.0000 65.3140 31.8482 176.0540 10 D 4.5962 7.2940 117.9751 50.9820 43.6458 176.1638 11 W 4.0029 8.6615 119.2247 59.4819 29.0816 178.3946 12 E 3.9392 8.2784 119.2437 59.3828 29.0766 178.9871 13 S 3.9804 9.0636 114.3853 61.1285 63.1347 176.0800 14 A 2.0000 7.2686 123.8621 54.3145 18.0282 179.4960 15 E 3.8456 8.1454 117.1193 59.2066 29.6110 179.5376 16 K 3.8301 7.7616 119.4272 59.4630 32.2575 178.9619 17 V 3.5127 7.6548 118.5745 66.0759 31.5014 178.0476 18 V 3.5811 7.6190 117.8826 66.0645 31.2714 178.1524 19 K 4.0423 8.2158 118.2295 59.6277 31.8523 179.5926 20 T 3.8852 7.8624 115.9166 66.5882 68.3558 176.8266 21 L 4.0351 8.1511 121.0623 57.8067 41.5979 179.6677 22 L 4.0204 8.0613 118.9882 57.6711 41.3887 179.6202 23 K 4.1042 8.1368 117.5402 58.7615 32.0766 178.3020 24 E 4.2876 8.1212 116.4654 55.3725 30.0201 176.2336 25 R 3.8767 7.8071 117.7372 57.1932 28.3358 177.9446 26 L 4.2359 8.0368 118.1573 56.2127 42.2074 177.1282 27 I 4.8146 7.2481 110.1395 59.3337 40.2531 175.0104 28 A 4.0993 8.7384 124.2607 53.1067 19.4328 177.4094 *30 A 4.4564 7.8226 116.0039 51.8472 20.2075 175.8701 31 N 5.0446 9.0846 117.5657 51.5646 41.6212 173.4838 32 L 5.3601 8.6953 124.0443 53.0695 44.1001 176.2054 33 R 4.9261 8.5599 118.2218 55.0006 33.0131 174.5446 34 E 4.7516 9.0226 121.0169 57.1766 30.7653 175.1754 35 H 4.7795 8.6001 115.6245 55.2330 32.5461 172.1933 36 R 4.8665 8.7967 119.2886 54.6247 31.6052 174.6829 37 A 4.9151 9.1938 128.6181 50.4909 21.5646 175.5731 38 F 5.2306 8.8778 119.5597 55.8924 42.2662 173.8619 39 Y 4.9772 8.2470 120.7063 55.5721 41.8774 173.7240 40 W 4.9073 8.9737 120.2910 56.0582 30.1411 176.7097 41 W 4.8649 9.6450 134.7464 56.8089 31.7188 173.0289 42 E 3.6817 9.3370 125.5231 57.3259 25.8138 175.7112 43 G 4.1109 8.5170 103.4806 45.3576 0.0000 171.4848 44 K 4.6028 8.0134 117.6945 54.9483 35.6104 175.6461 45 I 3.8804 7.7777 122.3539 60.4617 37.2575 175.4024 46 E 4.1946 8.5695 127.8003 55.3416 31.3583 175.4519 47 E 4.6910 8.1372 121.5179 54.5730 32.4820 174.4595 48 D 4.7784 8.8305 125.5990 52.8085 45.9151 174.9590 49 K 4.6268 8.5780 121.6162 56.6719 33.2997 175.8604 50 E 4.7208 8.9918 121.6817 55.1806 35.1692 174.1736 51 V 3.9391 8.6357 121.1652 61.0021 33.5043 174.9075 52 G 4.2733 8.9444 116.3635 45.7363 0.0000 171.6585 53 A 5.4122 9.1982 124.3467 49.9612 22.5542 174.9331 54 I 4.9207 8.9395 123.8657 59.8530 39.3468 174.7721 55 L 5.1293 9.4297 128.0694 52.8866 44.6636 175.7395 56 K 5.1429 8.4449 121.1299 55.2101 35.5495 175.2377 57 T 4.8115 8.3373 117.7782 61.4952 71.5380 172.5943 58 R 4.4565 8.4379 120.9046 55.5495 31.1786 177.5745 59 E 3.9733 8.9210 121.4672 59.6001 29.5523 178.9693 60 D 4.4783 8.1547 116.6497 55.6259 39.5820 177.1825 61 L 4.4249 7.7048 119.4105 54.4755 41.8582 177.8294 62 W 4.6150 8.3503 130.4685 60.8873 30.6685 177.4452 63 E 3.4219 8.1496 117.5731 59.3404 28.9676 178.9712 64 E 3.8290 7.9805 118.6660 58.9959 29.6887 178.3222 65 L 3.8878 8.0808 120.6928 58.0475 42.1848 178.8093 66 K 3.5757 7.6501 119.6538 59.4649 32.0013 178.6037 67 E 3.8545 7.8360 118.7110 59.3028 29.4876 179.3531 68 R 3.8824 8.0546 118.8079 59.3501 30.1552 178.5498 69 I 3.7403 7.9759 119.9203 64.4018 36.8861 178.3969 70 K 3.9341 7.7086 118.0785 59.7261 31.9518 178.9365 71 E 4.1259 7.8552 117.1507 58.6012 29.4347 178.4509 72 L 4.3623 7.4464 117.4883 55.4365 42.8506 177.0642 73 H 4.0694 8.2725 118.5092 55.7604 30.1685 173.4873 74 P 4.4079 0.0000 0.0000 65.5545 31.6053 176.5783 75 Y 4.6389 7.7883 115.8072 57.6309 38.5560 175.3719 76 D 4.5634 8.7017 123.0547 56.7415 41.4615 177.0877 77 V 4.3703 7.2751 117.4853 60.1114 31.2590 172.6615 78 P 4.3898 0.0000 0.0000 61.7213 32.7953 176.2734 79 A 4.4041 8.1147 120.7718 51.1195 20.2303 176.3916 80 I 5.1154 8.3696 123.4892 59.4770 38.4793 173.1735 81 I 4.4070 9.1660 126.8603 59.7045 39.0699 174.2106 82 R 4.6632 8.3889 127.6070 54.5354 31.5740 175.1179 83 I 4.4746 8.4484 126.8885 59.2822 40.3616 174.7841 84 D 4.6010 8.6930 127.3862 54.2633 41.6939 176.1317 85 V 4.0169 8.1227 123.2245 61.8181 31.4812 175.8945 86 D 4.4615 8.9350 128.7631 57.3309 41.0852 175.9391 87 D 4.5400 7.6201 114.5519 53.9131 43.7757 174.5309 88 V 4.4495 7.9076 121.3329 59.0525 34.0243 173.6231 89 N 4.4631 8.6345 119.9751 53.0836 38.2052 175.5899 90 E 4.0474 9.0968 125.3123 59.6784 29.4883 179.1579 91 D 4.3978 8.1599 118.5281 56.6201 39.4992 177.9407 92 Y 4.0784 8.0570 120.5127 60.3357 38.8664 177.2462 93 L 4.0409 8.2328 121.4077 58.1707 42.1142 178.9135 94 K 3.9111 8.4513 119.7724 59.0405 32.1190 178.5326 95 W 4.0273 7.9516 128.6877 60.4321 30.4452 177.6050 96 L 2.8912 7.4483 118.6376 57.8942 41.6061 178.7376 97 I 3.7390 7.8219 119.8880 64.3131 36.8271 178.0293 98 E 3.8472 8.1398 119.3995 59.1398 29.5598 178.1231 99 E 3.9865 7.6906 116.5078 56.7394 30.0534 176.4740 100 T 4.7624 6.5369 109.9235 59.3272 70.7510 175.0900 101 K 4.0961 8.4923 123.4201 56.9615 33.5030 176.9699 102 K 4.2273 8.4275 119.8654 56.8488 31.7200 176.9763 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 1 M 8.15 4.71 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 2 I 8.71 4.91 1.75 0.00 0.00 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 1.42 0.89 0.89 0.00 0.00 3 I 8.80 4.98 1.87 0.00 0.00 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 1.14 1.10 0.96 0.00 0.00 4 V 9.11 4.88 2.25 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 1.23 0.00 0.00 1.17 0.00 0.00 5 Y 9.33 5.41 0.00 2.95 2.82 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 6 T 8.63 5.46 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 1.02 0.00 0.00 7 T 7.79 4.89 4.15 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 0.00 0.00 0.00 0.89 0.00 0.00 8 F 8.73 4.50 0.00 2.70 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 9 P 0.00 4.47 0.00 2.19 2.32 0.00 3.53 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 10 D 7.29 4.60 0.00 2.95 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 11 W 8.66 4.00 0.00 3.40 3.25 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 0.00 12 E 8.28 3.94 0.00 2.06 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 2.35 2.37 0.00 13 S 9.06 3.98 0.00 3.95 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 14 A 7.27 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.15 3.85 0.00 2.11 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 2.43 2.61 0.00 16 K 7.76 3.83 0.00 1.89 1.84 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 17 V 7.65 3.51 1.86 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 1.16 0.00 0.00 0.96 0.00 0.00 18 V 7.62 3.58 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 1.00 0.00 0.00 0.93 0.00 0.00 19 K 8.22 4.04 0.00 1.99 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.65 7.81 20 T 7.86 3.89 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 1.22 0.00 0.00 21 L 8.15 4.04 0.00 1.86 1.75 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.06 4.02 0.00 1.89 1.72 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.14 4.10 0.00 1.72 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 24 E 8.12 4.29 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 2.30 2.44 0.00 25 R 7.81 3.88 0.00 1.99 2.07 0.00 3.08 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 26 L 8.04 4.24 0.00 1.76 1.73 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.25 4.81 2.03 0.00 0.00 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 1.30 0.62 0.97 0.00 0.00 28 A 8.74 4.10 0.65 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 *30 A 7.82 4.46 1.34 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 0.00 0.00 31 N 9.08 5.04 0.00 2.74 2.79 0.00 0.00 6.90 6.25 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 32 L 8.70 5.36 0.00 1.72 1.49 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.56 4.93 0.00 2.02 2.10 0.00 2.92 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 34 E 9.02 4.75 0.00 2.01 1.98 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 2.35 2.74 0.00 35 H 8.60 4.78 0.00 3.28 3.45 0.00 5.42 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 36 R 8.80 4.87 0.00 1.92 2.06 0.00 3.30 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.53 0.00 37 A 9.19 4.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 5.23 0.00 2.86 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 39 Y 8.25 4.98 0.00 3.15 3.05 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 40 W 8.97 4.91 0.00 3.34 3.22 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 41 W 9.64 4.86 0.00 3.46 2.97 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 42 E 9.34 3.68 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 1.70 1.47 0.00 43 G 8.52 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.01 4.60 0.00 1.89 1.91 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.74 1.59 7.81 45 I 7.78 3.88 1.49 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 -0.30 -0.36 0.63 0.00 0.00 46 E 8.57 4.19 0.00 1.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 47 E 8.14 4.69 0.00 1.71 1.59 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 1.74 1.47 0.00 48 D 8.83 4.78 0.00 2.68 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 49 K 8.58 4.63 0.00 1.63 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 50 E 8.99 4.72 0.00 1.57 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 2.26 2.41 0.00 51 V 8.64 3.94 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 -0.11 0.00 0.00 -0.32 0.00 0.00 52 G 8.94 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 0.00 0.00 0.00 0.00 53 A 9.20 5.41 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 54 I 8.94 4.92 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 1.00 0.00 0.00 55 L 9.43 5.13 0.00 1.67 1.65 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.44 5.14 0.00 1.87 1.88 0.00 2.06 0.00 0.00 1.98 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.55 7.81 57 T 8.34 4.81 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 1.32 0.00 0.00 58 R 8.44 4.46 0.00 1.93 1.93 0.00 3.17 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 1.69 1.57 0.00 59 E 8.92 3.97 0.00 2.05 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 2.42 2.36 0.00 60 D 8.15 4.48 0.00 2.90 2.82 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 61 L 7.70 4.42 0.00 1.89 1.76 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 W 8.35 4.61 0.00 3.38 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 63 E 8.15 3.42 0.00 2.02 1.86 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 2.39 2.35 0.00 64 E 7.98 3.83 0.00 1.99 1.91 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 2.34 2.32 0.00 65 L 8.08 3.89 0.00 1.87 1.90 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.65 3.58 0.00 0.79 1.23 0.00 1.36 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.11 7.81 67 E 7.84 3.85 0.00 2.17 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 2.19 2.37 0.00 68 R 8.05 3.88 0.00 2.00 2.01 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 69 I 7.98 3.74 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.68 0.92 0.00 0.00 70 K 7.71 3.93 0.00 1.93 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.56 7.81 71 E 7.86 4.13 0.00 2.06 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 0.00 2.33 2.63 0.00 72 L 7.45 4.36 0.00 1.68 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.27 4.07 0.00 3.26 3.17 0.00 5.76 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 74 P 0.00 4.41 0.00 2.16 2.13 0.00 3.47 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 75 Y 7.79 4.64 0.00 2.75 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 76 D 8.70 4.56 0.00 2.75 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 77 V 7.28 4.37 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 0.93 0.00 0.00 1.08 0.00 0.00 78 P 0.00 4.39 0.00 1.80 1.49 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 79 A 8.11 4.40 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 80 I 8.37 5.12 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 1.03 0.00 0.00 81 I 9.17 4.41 2.15 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.96 0.00 0.00 82 R 8.39 4.66 0.00 0.67 0.75 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.02 0.00 83 I 8.45 4.47 1.82 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 1.17 0.59 0.86 0.00 0.00 84 D 8.69 4.60 0.00 2.48 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 85 V 8.12 4.02 2.25 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 0.78 0.00 0.00 0.95 0.00 0.00 86 D 8.94 4.46 0.00 2.70 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 87 D 7.62 4.54 0.00 2.57 2.47 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 88 V 7.91 4.45 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 0.82 0.00 0.00 1.04 0.00 0.00 89 N 8.63 4.46 0.00 3.16 3.03 0.00 0.00 5.99 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 90 E 9.10 4.05 0.00 2.04 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 0.00 2.44 2.36 0.00 91 D 8.16 4.40 0.00 2.93 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 92 Y 8.06 4.08 0.00 3.08 3.36 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 93 L 8.23 4.04 0.00 1.95 1.96 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.45 3.91 0.00 1.89 2.00 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.46 7.81 95 W 7.95 4.03 0.00 3.32 3.23 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 96 L 7.45 2.89 0.00 1.39 1.69 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.82 3.74 1.94 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 1.37 0.70 0.87 0.00 0.00 98 E 8.14 3.85 0.00 2.00 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 2.26 2.31 0.00 99 E 7.69 3.99 0.00 1.32 1.65 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 1.66 1.71 0.00 100 T 6.54 4.76 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 1.08 0.00 0.00 101 K 8.49 4.10 0.00 1.75 1.83 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.41 7.81 102 K 8.43 4.23 0.00 1.65 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.