NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2990 8.2729 122.1405 54.5153 33.7241 178.1713 5 K 3.7762 8.1149 124.6805 59.0523 31.3519 175.1363 6 V 4.0762 8.1496 119.9837 65.6380 31.5862 177.2284 7 A 4.0074 7.7675 120.4806 55.1937 17.9074 179.5006 8 K 4.0007 7.9590 116.6526 59.9358 33.1932 178.9107 9 E 3.8697 7.7083 121.4154 58.8512 29.3374 180.0933 10 T 3.8840 7.9121 115.1419 66.8724 68.6128 176.0705 11 A 3.9006 7.5689 120.8893 55.7711 18.2831 179.3398 12 I 3.6450 8.3336 116.6900 65.0073 37.4565 178.8326 13 T 3.8945 7.6620 116.2183 66.5708 68.3482 176.2487 14 L 4.2241 8.2128 121.9375 57.4712 42.0173 178.6365 15 Q 4.0121 8.3747 120.2055 59.1318 29.1483 177.8865 16 S 4.2097 8.3331 114.0248 60.9631 62.3803 175.5091 17 Y 4.1609 7.9687 122.7396 60.6145 38.5793 177.5215 18 L 4.0179 7.9999 119.4913 57.8941 41.6507 179.5676 19 T 3.8553 7.7479 115.9569 66.8219 68.2453 176.0440 20 Y 3.9204 7.7457 121.0046 60.4687 38.6655 177.4179 21 Q 3.4498 7.8324 119.8546 57.8324 29.0625 177.8899 22 A 3.9213 7.6354 122.2305 55.2404 18.8973 179.5588 23 V 3.6141 7.5706 116.5679 66.0365 31.4490 178.5988 24 R 3.7303 7.3477 117.8730 59.1412 29.9900 178.7279 25 L 3.9518 7.4503 118.7853 57.9040 41.6110 179.4805 26 I 3.6693 7.6682 119.7183 64.7270 37.0679 178.4156 27 S 4.2240 8.1116 115.6951 61.5929 62.0517 176.9203 28 Q 3.9489 7.8477 123.3746 60.1509 28.0655 181.8451 29 Q 4.2017 8.6125 120.6405 59.0775 28.6690 179.7687 30 L 4.0742 8.2505 122.0193 58.5495 41.4742 180.1562 31 S 4.2233 7.9743 119.9696 63.8368 62.0393 178.7991 32 E 4.4684 7.7450 118.7067 59.7211 30.1385 182.2164 33 T 4.2905 8.7199 119.1691 64.6423 69.4835 177.8794 34 N 4.7707 9.0182 126.1148 51.1510 37.1106 176.0292 35 P 4.9009 0.0000 0.0000 63.6059 32.0362 178.7559 36 G 3.6851 8.1797 108.7499 48.8783 0.0000 176.1609 37 Q 4.1628 7.9821 122.2044 59.1201 28.1599 180.6583 38 A 4.5001 8.1474 122.3420 56.4995 18.9446 179.9812 39 I 3.6749 8.0709 118.9000 65.2897 35.5711 179.9055 40 W 4.3109 8.4939 130.4314 60.1374 30.3888 177.8380 41 L 4.0924 8.7362 120.9982 57.7828 40.9626 179.2144 42 G 3.6500 8.2164 107.9636 48.4943 0.0000 176.1004 43 E 3.9786 7.7228 119.3079 60.0632 29.9034 179.9836 44 F 4.3286 7.6660 121.4898 61.1306 39.5002 178.2525 45 S 4.4500 7.7820 120.0313 64.4290 61.9151 179.5982 46 K 4.3250 7.5977 126.7029 60.9170 31.5842 183.2896 47 R 3.8231 7.6182 122.8008 62.1469 29.5214 179.2272 *48 H 4.5750 6.4898 116.9263 53.3241 29.4950 175.0552 49 P 4.9555 0.0000 0.0000 60.9142 32.8898 175.6090 50 I 3.4364 8.3906 124.1819 64.4352 38.0751 177.8542 51 Q 3.8410 8.1127 120.1529 58.9097 27.6745 180.6102 52 E 4.2694 8.0371 120.0001 55.6556 29.8795 179.3225 53 S 4.6598 8.5729 121.6895 59.1993 64.2024 175.8539 54 D 4.4944 8.2472 122.3854 56.9974 40.4630 178.9405 55 L 3.9942 7.9672 119.0206 58.0233 41.6125 178.2703 56 Y 4.2806 7.6281 117.7549 61.0691 38.6233 178.4886 57 L 4.2784 8.1446 118.8122 57.9908 42.1007 178.9260 58 E 4.1995 7.9468 116.4342 58.5137 30.6199 178.7071 59 A 4.3283 7.5258 121.1221 51.0115 15.8157 176.4830 *62 L 4.3480 7.6586 122.4825 54.3756 43.9457 178.8243 63 E 4.0627 8.0593 114.9489 58.2771 29.6939 176.9971 64 N 4.1740 7.1831 110.7506 51.8146 40.5841 174.3218 65 K 4.0322 7.8831 127.4738 58.8176 32.5081 178.2639 66 E 3.9060 8.0935 119.2521 59.3789 29.4371 178.8191 67 L 4.0361 8.2880 119.0135 57.3953 41.8059 179.4559 68 V 3.6028 7.3786 116.9815 66.2284 31.3908 178.2037 69 L 4.0454 7.7851 118.0773 57.5407 41.2568 179.5389 70 R 3.8940 7.8934 118.3385 59.4717 30.1100 178.2428 71 I 3.7002 7.9973 119.8763 64.6795 37.2539 178.1484 72 L 3.9981 7.8010 118.8044 58.2075 40.9572 179.6309 73 T 3.8073 7.6148 115.5479 66.6917 68.3156 176.6084 74 V 3.6298 8.1020 120.4877 66.1697 31.5100 178.2881 75 R 3.9908 8.5823 118.5372 59.8644 29.1136 178.5558 76 E 4.3339 8.1341 116.6857 58.6188 30.0176 179.7350 77 N 4.7408 7.6817 115.7655 56.6358 38.7398 177.3153 78 L 3.9862 7.6901 120.2536 57.6894 41.6890 179.5110 79 A 4.1084 8.1173 123.0957 55.9030 18.2112 180.2167 80 E 4.2218 7.8043 113.7703 60.0376 29.8165 180.1388 81 G 4.1842 7.4477 101.8356 45.1633 0.0000 173.7635 82 V 4.5402 7.5182 117.3791 63.1396 37.1201 176.5873 83 L 4.0711 7.6357 120.0457 58.4867 41.3718 179.7266 84 E 4.0841 7.9429 116.7958 61.3805 29.5479 181.3836 85 F 4.8729 7.7717 118.3720 60.2691 38.7683 177.3674 86 L 4.0876 7.5072 117.4651 57.6338 41.2946 176.8097 87 P 4.3687 0.0000 0.0000 66.4680 31.4009 178.0593 88 E 4.0040 7.5840 111.7944 56.3825 29.8947 180.5711 *90 V 4.1784 7.9533 120.3076 63.6147 32.9063 176.9087 91 L 3.9905 7.4301 119.8136 58.3487 41.5705 179.2478 92 S 4.0335 7.9357 114.6787 61.5065 63.1358 175.4344 93 Q 4.2349 7.7813 119.3663 57.4391 28.8844 177.2989 94 I 3.8762 8.0310 120.9200 64.3288 36.8058 178.2765 95 K 4.0283 7.8364 118.8410 59.8492 31.9395 178.4920 96 Q 3.9939 8.1960 120.1191 58.9373 29.0192 177.7272 97 S 3.9586 8.2133 114.2042 61.4280 62.2103 176.4814 98 N 4.4465 8.9200 119.7553 56.2367 38.2857 177.1252 99 G 3.6895 7.7621 106.3779 48.2158 0.0000 174.9742 100 N 4.0809 8.2980 120.2772 56.3336 38.8263 176.1514 101 H 4.5894 7.8487 116.8828 57.9828 29.4532 177.7870 102 R 3.9564 8.2723 120.1955 59.4707 29.6825 179.3848 103 R 3.9512 8.1928 117.9185 59.3097 29.9666 179.1253 104 S 3.9380 7.9632 112.4593 60.6675 62.0822 175.4235 105 L 4.1740 7.3161 121.9560 56.8463 42.2548 178.1300 106 L 4.1172 7.7347 118.1755 57.5011 41.7644 178.6511 107 E 4.0120 7.5504 117.6188 59.7276 29.6616 177.5888 108 R 4.0557 7.4287 121.4619 56.5919 30.1255 176.0347 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 K 8.27 4.30 0.00 1.70 1.88 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 5 K 8.11 3.78 0.00 1.83 1.89 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.12 7.81 6 V 8.15 4.08 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 0.98 0.00 0.00 0.93 0.00 0.00 7 A 7.77 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 4.00 0.00 2.00 2.06 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.52 7.81 9 E 7.71 3.87 0.00 2.34 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 0.00 2.34 2.39 0.00 10 T 7.91 3.88 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 1.20 0.00 0.00 11 A 7.57 3.90 1.35 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 0.00 0.00 0.00 0.00 0.00 12 I 8.33 3.65 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 0.92 0.00 0.00 13 T 7.66 3.89 4.45 0.00 0.00 0.00 0.00 0.00 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 14 L 8.21 4.22 0.00 1.98 1.69 0.95 0.42 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 15 Q 8.37 4.01 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 16 S 8.33 4.21 0.00 3.97 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 17 Y 7.97 4.16 0.00 3.26 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 18 L 8.00 4.02 0.00 1.79 1.71 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.75 3.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 20 Y 7.75 3.92 0.00 2.91 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 21 Q 7.83 3.45 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 22 A 7.64 3.92 1.40 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 23 V 7.57 3.61 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 1.11 0.00 0.00 1.07 0.00 0.00 24 R 7.35 3.73 0.00 1.53 1.71 0.00 2.53 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 0.00 25 L 7.45 3.95 0.00 1.61 1.69 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.67 3.67 1.98 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 1.41 0.61 0.95 0.00 0.00 27 S 8.11 4.22 0.00 4.06 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 28 Q 7.85 3.95 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 29 Q 8.61 4.20 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 30 L 8.25 4.07 0.00 1.75 1.74 0.98 1.00 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 31 S 7.97 4.22 0.00 3.73 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 32 E 7.74 4.47 0.00 2.04 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 2.23 2.21 0.00 33 T 8.72 4.29 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 1.21 0.00 0.00 34 N 9.02 4.77 0.00 2.64 2.72 0.00 0.00 6.34 7.76 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 35 P 0.00 4.90 0.00 2.28 2.49 0.00 3.84 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 36 G 8.18 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 37 Q 7.98 4.16 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 38 A 8.15 4.50 1.40 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 39 I 8.07 3.67 1.87 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 1.41 0.69 0.91 0.00 0.00 40 W 8.49 4.31 0.00 3.46 3.28 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 0.00 0.00 0.00 0.00 41 L 8.74 4.09 0.00 2.22 1.92 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.22 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 43 E 7.72 3.98 0.00 2.12 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 0.00 2.26 2.19 0.00 44 F 7.67 4.33 0.00 1.76 2.26 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 45 S 7.78 4.45 0.00 3.70 3.80 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 46 K 7.60 4.32 0.00 1.88 1.70 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 47 R 7.62 3.82 0.00 2.04 1.74 0.00 3.23 0.00 0.00 3.26 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 *48 H 6.49 4.57 0.00 2.93 2.87 0.00 7.14 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.96 0.00 2.14 2.03 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 50 I 8.39 3.44 1.46 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.86 0.00 0.00 51 Q 8.11 3.84 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.87 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 52 E 8.04 4.27 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 2.31 1.86 0.00 53 S 8.57 4.66 0.00 4.04 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 0.00 54 D 8.25 4.49 0.00 2.75 2.83 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 55 L 7.97 3.99 0.00 1.99 1.77 0.96 0.81 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 56 Y 7.63 4.28 0.00 3.11 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 57 L 8.14 4.28 0.00 1.79 1.79 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.95 4.20 0.00 2.07 2.07 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 2.38 2.38 0.00 59 A 7.53 4.33 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 *62 L 7.66 4.35 0.00 1.70 1.80 0.93 1.15 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 63 E 8.06 4.06 0.00 2.12 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 2.48 2.39 0.00 64 N 7.18 4.17 0.00 1.90 2.24 0.00 0.00 7.25 6.72 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 65 K 7.88 4.03 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.43 7.81 66 E 8.09 3.91 0.00 1.94 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 2.34 2.36 0.00 67 L 8.29 4.04 0.00 1.85 1.70 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.38 3.60 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 1.05 0.00 0.00 0.95 0.00 0.00 69 L 7.79 4.05 0.00 1.75 1.70 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.89 3.89 0.00 2.01 2.10 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 71 I 8.00 3.70 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.67 0.98 0.00 0.00 72 L 7.80 4.00 0.00 1.74 1.74 0.94 0.61 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 73 T 7.61 3.81 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 1.21 0.00 0.00 74 V 8.10 3.63 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 0.97 0.00 0.00 75 R 8.58 3.99 0.00 2.00 2.42 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 76 E 8.13 4.33 0.00 2.03 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 2.23 2.21 0.00 77 N 7.68 4.74 0.00 2.99 2.87 0.00 0.00 6.94 6.62 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 78 L 7.69 3.99 0.00 1.87 1.72 0.92 0.91 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 79 A 8.12 4.11 1.33 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 0.00 0.00 0.00 80 E 7.80 4.22 0.00 2.13 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 2.26 2.20 0.00 81 G 7.45 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.52 4.54 2.31 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 1.01 0.00 0.00 1.03 0.00 0.00 83 L 7.64 4.07 0.00 1.77 1.73 0.96 0.89 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 84 E 7.94 4.08 0.00 2.06 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 2.23 1.98 0.00 85 F 7.77 4.87 0.00 3.27 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 86 L 7.51 4.09 0.00 1.67 1.80 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.37 0.00 2.20 2.14 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 88 E 7.58 4.00 0.00 2.03 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 2.26 2.11 0.00 *90 V 7.95 4.18 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 0.89 0.00 0.00 0.93 0.00 0.00 91 L 7.43 3.99 0.00 1.83 1.91 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.94 4.03 0.00 4.02 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 93 Q 7.78 4.23 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 94 I 8.03 3.88 1.86 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 1.51 0.73 0.90 0.00 0.00 95 K 7.84 4.03 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 96 Q 8.20 3.99 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 97 S 8.21 3.96 0.00 4.00 3.82 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 98 N 8.92 4.45 0.00 2.85 2.84 0.00 0.00 6.73 8.25 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 99 G 7.76 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 0.00 100 N 8.30 4.08 0.00 2.82 2.84 0.00 0.00 7.30 8.50 0.00 0.00 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 H 7.85 4.59 0.00 3.34 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.27 3.96 0.00 2.04 1.98 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 103 R 8.19 3.95 0.00 1.95 1.98 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 104 S 7.96 3.94 0.00 3.91 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 0.00 105 L 7.32 4.17 0.00 1.82 1.83 0.91 0.99 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 0.00 106 L 7.73 4.12 0.00 1.67 1.68 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.55 4.01 0.00 1.99 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 0.00 2.36 2.50 0.00 108 R 7.43 4.06 0.00 1.92 1.95 0.00 3.29 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 1.64 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.