NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3541 0.0000 0.0000 61.7784 32.8186 175.1334 3 K 3.9836 8.3696 119.0995 55.2175 32.4211 175.9885 4 K 3.9806 8.7950 127.2263 57.3026 33.9059 175.1820 5 V 5.3209 8.2111 124.3449 60.1923 34.2165 174.3045 6 L 5.0873 8.6417 126.3586 53.0334 46.3273 175.4765 7 T 5.4914 7.9229 109.8406 59.4087 71.0321 172.9073 8 G 4.0712 8.3426 114.4893 45.2215 0.0000 169.9083 9 V 5.3379 8.7179 119.3017 60.1444 35.4146 175.4644 10 V 5.3925 8.0850 121.0347 60.4688 33.8801 176.0038 11 V 5.1361 7.8264 117.3126 60.7723 34.2271 174.7872 12 S 4.6813 8.0630 111.8294 57.8555 65.6533 176.9048 13 D 4.8207 8.0279 123.6704 54.1586 39.9113 176.0580 14 K 4.5526 7.8181 115.6095 57.6583 32.2185 177.3221 15 M 4.8823 7.5399 119.5323 54.7771 33.1582 176.4341 16 Q 4.2143 8.1983 122.9181 56.6856 31.5718 175.2703 17 K 4.7765 8.9365 120.9063 57.4517 29.6627 175.7642 18 T 5.2507 7.2032 114.7449 60.7425 72.2309 173.9241 19 V 4.7088 8.0815 116.4733 59.8892 36.2658 174.7607 20 T 4.4687 8.5491 121.6753 63.3877 69.7581 173.6397 21 V 4.7655 8.9379 126.6120 60.9683 34.3216 173.7798 22 L 4.8715 9.1179 130.4501 53.3111 44.5637 175.1288 23 V 4.5510 8.3427 124.9855 60.9167 34.7025 174.1550 24 E 4.3678 8.9394 128.1561 56.4036 30.0227 176.2625 25 R 4.9040 8.6987 124.7232 54.6377 33.5806 174.0400 26 Q 5.3847 8.6177 121.5550 55.5368 32.1139 172.9876 27 F 4.7852 8.3441 114.8785 55.9918 41.8389 171.8367 28 P 4.7342 0.0000 0.0000 62.4277 32.3227 175.2341 29 H 4.8388 8.0340 117.7966 54.4463 32.9373 172.5699 30 P 4.2469 0.0000 0.0000 65.7275 31.4000 177.3738 31 L 3.9049 7.4035 120.7407 55.7035 42.3976 176.7003 32 Y 4.8215 7.4745 115.5063 58.6943 40.5767 179.8704 33 G 3.4555 9.4759 108.4662 46.7008 0.0000 177.2004 34 K 4.0967 8.6986 112.8488 55.3102 32.0903 172.4313 35 V 4.4956 8.4114 130.2090 61.4702 32.0913 174.8864 36 I 4.5511 7.8806 120.9830 59.1060 40.5612 174.7075 37 K 4.7640 8.2570 122.6559 55.6243 34.4948 175.8247 38 R 4.6017 8.8457 119.6250 55.7506 34.1162 173.6593 39 S 5.5082 8.7406 119.4240 55.5462 66.5769 172.0342 40 K 4.5375 8.0261 119.5334 54.6757 36.2433 174.3619 41 K 5.4003 7.8805 120.7721 53.7084 35.0906 175.5777 42 Y 5.0111 8.0830 120.6735 56.2043 42.4750 173.9946 43 L 5.1180 8.7199 121.3180 53.3960 43.3902 175.9550 44 A 5.7297 8.6558 124.8986 49.9364 22.8196 174.5858 45 H 4.7105 8.5584 119.0033 55.0710 31.2616 174.1768 46 D 4.9884 9.2643 126.9718 51.8383 39.9852 173.9960 47 P 4.1413 0.0000 0.0000 65.6954 31.8038 178.3638 48 E 4.1232 8.2674 114.9918 56.4232 29.8135 177.1658 49 E 4.3117 8.0490 111.4056 56.6386 26.0407 174.3336 50 K 4.4298 8.6589 118.6386 55.8681 34.6187 177.3782 51 Y 4.2201 8.2516 118.3602 56.6321 36.9766 175.0321 52 K 4.3184 8.3393 124.4945 55.5078 33.8665 176.4762 53 L 3.9049 8.2621 122.3276 56.9525 42.3861 177.0359 54 G 4.0196 8.7828 114.0437 45.2262 0.0000 172.0888 55 D 5.1992 7.7833 119.5502 52.9330 43.3358 175.7908 56 V 4.5273 8.4676 121.1836 62.3198 33.8306 175.0826 57 V 4.9837 8.6889 118.0155 60.6876 37.1272 172.4446 58 E 5.1078 8.7150 121.2284 55.1102 31.4985 175.7720 59 I 4.9080 9.2316 126.2342 59.8498 40.3516 174.5215 60 I 5.1361 8.6497 123.9382 58.9735 41.6455 174.1019 61 E 2.5400 8.5219 129.1966 55.9695 30.0158 175.9113 62 S 4.4769 7.3624 120.9011 56.7478 67.8594 173.5345 63 R 3.7751 8.5132 121.2038 56.3256 29.8589 173.9333 64 P 4.2487 0.0000 0.0000 62.3052 32.3591 175.9114 65 I 4.4748 7.8476 118.5364 60.9935 39.7626 175.4126 66 S 4.4977 7.4644 112.9224 57.1523 64.5287 175.5981 67 K 3.9582 8.5952 122.0790 58.1576 31.9549 176.0562 68 R 4.2207 8.9187 126.4416 56.0675 30.2244 175.6583 69 K 4.4648 7.6886 119.1375 54.9885 30.9329 176.2574 70 R 5.1286 8.0118 129.2862 54.4668 31.5277 175.9764 71 F 4.5382 7.9924 115.5842 56.6479 43.6775 175.0761 72 R 4.7331 8.5714 122.7179 55.0075 32.6397 176.2964 73 V 3.7001 7.8323 121.1820 61.8468 30.3700 175.6023 74 L 4.1935 8.7548 130.2951 56.6325 41.9595 176.8363 75 R 5.0020 7.7834 112.1085 55.4363 32.8370 173.3486 76 L 4.5509 9.3901 125.5108 55.9958 40.8050 176.7325 77 V 4.3193 8.7859 123.8032 60.9296 32.4030 175.1664 78 E 5.8840 7.6737 129.8515 56.1509 30.2239 176.2603 79 S 5.0957 7.6376 118.7870 58.3761 63.2719 171.6545 80 G 3.6861 9.8334 116.7821 45.7037 0.0000 174.1309 81 R 4.7331 8.3789 127.9319 54.8698 32.5403 176.6464 82 M 4.2070 7.8868 119.1265 57.6191 32.3978 178.0611 83 D 4.4655 8.1055 118.3242 55.7328 39.7901 177.6348 84 L 4.3202 7.6350 120.6036 56.7334 42.1519 178.5943 85 V 3.6692 7.7643 117.8276 66.5191 31.3049 177.8826 86 E 3.9568 8.1287 117.3980 59.1452 29.0320 179.3168 87 K 4.0354 7.8511 118.0281 59.5801 32.3457 178.2801 88 Y 4.3781 7.9998 119.2969 60.1913 39.1613 176.8170 89 L 3.2345 7.8657 121.1207 58.3766 42.0770 179.4403 90 I 3.6369 8.1299 119.7879 64.2190 36.7999 178.3946 91 R 3.7227 7.5946 118.1773 59.6778 30.0149 178.4306 92 R 3.1693 7.5243 118.1222 58.5121 30.0806 178.5210 93 Q 3.8406 7.8048 116.7542 59.1256 28.8775 179.7659 94 N 4.3746 7.6942 118.8169 55.7867 38.5128 176.8957 95 Y 4.4811 8.3443 119.0301 61.2773 37.7947 178.1169 96 E 4.0198 8.1830 118.8080 59.0820 29.6830 178.3592 97 S 4.5365 8.3190 114.7620 59.8340 64.6928 174.9489 98 L 4.5449 7.7187 122.0301 54.7853 39.2198 174.7912 99 S 4.8301 7.1061 113.1849 56.8902 67.0235 175.3282 100 K 4.3461 8.1126 116.3800 56.5500 33.9617 176.6815 *101 R 4.1415 7.7982 120.7184 56.4394 30.0213 177.1850 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 P 0.00 4.35 0.00 2.06 2.09 0.00 3.64 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 1.92 2.11 0.00 3 K 8.37 3.98 0.00 1.70 1.70 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.45 7.81 4 K 8.80 3.98 0.00 1.96 2.00 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.52 7.81 5 V 8.21 5.32 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 1.32 0.00 0.00 1.01 0.00 0.00 6 L 8.64 5.09 0.00 1.55 1.50 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.92 5.49 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 1.27 0.00 0.00 8 G 8.34 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 8.72 5.34 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 1.31 0.00 0.00 0.93 0.00 0.00 10 V 8.09 5.39 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 1.24 0.00 0.00 1.05 0.00 0.00 11 V 7.83 5.14 2.39 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 0.94 0.00 0.00 0.83 0.00 0.00 12 S 8.06 4.68 0.00 3.90 3.66 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 0.00 0.00 0.00 13 D 8.03 4.82 0.00 2.92 2.81 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 14 K 7.82 4.55 0.00 1.85 1.88 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.43 7.81 15 M 7.54 4.88 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 16 Q 8.20 4.21 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 17 K 8.94 4.78 0.00 2.03 1.96 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.41 7.81 18 T 7.20 5.25 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 1.32 0.00 0.00 19 V 8.08 4.71 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 0.93 0.00 0.00 0.92 0.00 0.00 20 T 8.55 4.47 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 1.14 0.00 0.00 21 V 8.94 4.77 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 0.96 0.00 0.00 0.98 0.00 0.00 22 L 9.12 4.87 0.00 1.48 1.36 0.65 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.34 4.55 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 1.00 0.00 0.00 0.87 0.00 0.00 24 E 8.94 4.37 0.00 1.89 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 2.32 2.30 0.00 25 R 8.70 4.90 0.00 1.86 1.97 0.00 2.99 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 26 Q 8.62 5.38 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 27 F 8.34 4.79 0.00 3.20 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 28 P 0.00 4.73 0.00 2.09 2.07 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 29 H 8.03 4.84 0.00 3.07 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.25 0.00 2.08 2.07 0.00 3.05 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 1.52 1.80 0.00 31 L 7.40 3.90 0.00 1.15 0.13 0.75 0.73 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 32 Y 7.47 4.82 0.00 2.92 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 33 G 9.48 3.46 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 0.00 34 K 8.70 4.10 0.00 1.81 2.24 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.39 7.81 35 V 8.41 4.50 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 1.13 0.00 0.00 0.90 0.00 0.00 36 I 7.88 4.55 1.82 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 1.01 0.27 0.83 0.00 0.00 37 K 8.26 4.76 0.00 1.68 1.80 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 38 R 8.85 4.60 0.00 1.95 1.82 0.00 3.13 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 39 S 8.74 5.51 0.00 3.86 3.77 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 40 K 8.03 4.54 0.00 1.60 1.17 0.00 1.64 0.00 0.00 1.98 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.52 1.18 7.81 41 K 7.88 5.40 0.00 1.42 1.47 0.00 1.56 0.00 0.00 1.84 0.00 0.00 2.58 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 0.97 7.81 42 Y 8.08 5.01 0.00 2.79 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 43 L 8.72 5.12 0.00 1.58 1.64 0.95 0.82 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 44 A 8.66 5.73 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 45 H 8.56 4.71 0.00 3.27 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.26 4.99 0.00 2.63 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 47 P 0.00 4.14 0.00 2.23 2.18 0.00 3.78 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 48 E 8.27 4.12 0.00 2.03 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 2.31 2.34 0.00 49 E 8.05 4.31 0.00 2.05 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 2.28 2.26 0.00 50 K 8.66 4.43 0.00 1.64 1.78 0.00 1.41 0.00 0.00 1.75 0.00 0.00 2.53 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.90 0.85 7.81 51 Y 8.25 4.22 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.34 4.32 0.00 1.92 1.95 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.83 1.32 7.81 53 L 8.26 3.90 0.00 1.86 1.66 1.01 1.15 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 54 G 8.78 4.02 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 0.00 0.00 0.00 55 D 7.78 5.20 0.00 2.88 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 56 V 8.47 4.53 2.27 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 0.98 0.00 0.00 0.95 0.00 0.00 57 V 8.69 4.98 2.05 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 0.84 0.00 0.00 0.92 0.00 0.00 58 E 8.71 5.11 0.00 2.09 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 2.27 2.29 0.00 59 I 9.23 4.91 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.29 1.04 0.00 0.00 60 I 8.65 5.14 1.89 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 1.09 1.52 0.84 0.00 0.00 61 E 8.52 2.54 0.00 1.89 1.62 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 2.04 1.70 0.00 62 S 7.36 4.48 0.00 3.53 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 63 R 8.51 3.78 0.00 1.70 1.79 0.00 3.22 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 64 P 0.00 4.25 0.00 2.04 1.96 0.00 3.61 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 1.99 2.10 0.00 65 I 7.85 4.47 1.97 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 1.22 0.68 0.85 0.00 0.00 66 S 7.46 4.50 0.00 3.95 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 67 K 8.60 3.96 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.46 7.81 68 R 8.92 4.22 0.00 2.00 2.17 0.00 3.36 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 69 K 7.69 4.46 0.00 1.89 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.45 7.81 70 R 8.01 5.13 0.00 1.81 1.75 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 71 F 7.99 4.54 0.00 2.88 2.86 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 72 R 8.57 4.73 0.00 1.78 1.85 0.00 3.11 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 73 V 7.83 3.70 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 -0.63 0.00 0.00 0.73 0.00 0.00 74 L 8.75 4.19 0.00 1.72 1.73 1.02 0.78 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 75 R 7.78 5.00 0.00 1.99 2.08 0.00 3.23 0.00 0.00 3.39 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 76 L 9.39 4.55 0.00 1.93 2.04 0.99 0.47 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 77 V 8.79 4.32 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 0.82 0.00 0.00 1.03 0.00 0.00 78 E 7.67 5.88 0.00 2.31 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 2.15 2.04 0.00 79 S 7.64 5.10 0.00 3.93 3.79 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 80 G 9.83 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 81 R 8.38 4.73 0.00 1.99 1.84 0.00 3.49 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 82 M 7.89 4.21 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 83 D 8.11 4.47 0.00 2.83 2.81 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 84 L 7.63 4.32 0.00 1.76 1.76 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.76 3.67 2.28 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 1.10 0.00 0.00 0.96 0.00 0.00 86 E 8.13 3.96 0.00 2.02 1.95 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 2.60 2.48 0.00 87 K 7.85 4.04 0.00 1.92 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.61 7.81 88 Y 8.00 4.38 0.00 2.99 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 89 L 7.87 3.23 0.00 1.90 1.53 0.85 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 90 I 8.13 3.64 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 0.83 0.00 0.00 91 R 7.59 3.72 0.00 1.96 1.89 0.00 3.22 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 92 R 7.52 3.17 0.00 1.36 1.59 0.00 2.79 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 93 Q 7.80 3.84 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.48 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 94 N 7.69 4.37 0.00 2.57 2.89 0.00 0.00 6.61 7.37 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 95 Y 8.34 4.48 0.00 3.00 2.93 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 96 E 8.18 4.02 0.00 2.04 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 2.34 2.40 0.00 97 S 8.32 4.54 0.00 3.89 3.89 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 98 L 7.72 4.54 0.00 1.79 1.67 1.20 0.95 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 99 S 7.11 4.83 0.00 3.93 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 0.00 100 K 8.11 4.35 0.00 1.71 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 *101 R 7.80 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.