NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4648 8.3349 115.4104 57.6625 64.0981 176.2359 1 L 4.0608 8.9577 120.7634 52.4001 41.5554 175.2969 2 K 4.1977 8.7053 124.2000 59.7413 33.8618 176.7482 3 S 4.9630 7.6434 110.6502 57.0653 65.9687 173.9536 4 I 4.5867 9.1032 122.4293 59.6977 40.0188 174.2384 5 E 5.1518 8.8864 126.4469 54.5497 32.1527 175.0403 6 V 4.8661 8.9602 124.6011 61.1465 34.7814 174.5640 7 V 5.1635 9.0258 119.8560 59.5788 35.0987 174.4778 8 A 5.3184 9.1518 124.9907 50.1477 22.4357 174.5973 9 A 4.9003 9.2319 124.2585 50.5361 20.7963 177.1383 10 V 4.0867 8.8351 124.2665 61.5391 32.6146 173.8772 11 I 4.9392 8.2936 128.5108 59.0258 38.8069 174.5146 12 R 5.1220 8.7745 127.6054 54.4765 32.4896 175.2496 13 L 4.5835 8.6602 125.2755 53.8844 45.7606 176.0823 14 G 3.7712 8.3509 113.9136 47.0911 0.0000 173.7870 15 E 4.3778 8.6832 123.1098 55.8158 30.0799 175.1676 16 K 5.0489 7.8121 119.6088 55.1770 35.3587 174.6457 17 Y 5.3425 9.1797 121.0909 55.9813 41.4427 174.8647 18 L 3.5577 8.6837 126.1153 55.0723 42.5420 175.6810 19 C 4.8449 9.0363 125.2418 57.9652 31.1129 173.6833 20 V 4.6814 8.7352 116.9416 59.5320 34.4472 174.8804 21 Q 4.5648 9.2204 125.3590 52.9510 30.7678 175.3347 22 R 4.1052 8.0440 123.0036 55.6984 30.0177 175.9284 *32 F 4.1616 7.8399 115.4246 58.2389 40.0248 174.5647 33 R 4.5842 8.1325 121.3630 55.2422 32.9307 174.8069 34 Y 4.4114 8.6786 118.0492 57.3196 39.7181 174.9282 35 E 5.3448 8.9439 119.3053 55.4475 33.7946 173.8076 36 F 5.0887 9.0167 119.3223 55.9736 40.2887 174.5699 37 P 4.4488 0.0000 0.0000 62.3016 32.4797 176.7595 38 G 3.9878 7.8159 107.4097 47.9436 0.0000 170.5908 39 G 3.9103 6.9719 107.2427 46.1505 0.0000 171.0859 40 K 4.8783 8.2702 118.3933 55.2946 33.7687 176.8039 41 V 4.0017 8.4065 124.0110 62.4961 32.3906 175.7616 42 E 4.3837 8.8858 126.9724 55.5443 31.1331 176.1989 43 E 4.1547 8.6321 122.5877 58.1678 29.7075 177.4167 44 G 4.0751 9.0590 111.7312 45.1818 0.0000 172.8754 45 E 5.0523 7.7770 118.1883 53.8419 31.5446 176.6815 46 S 4.4595 8.3729 117.1439 57.7454 65.6503 175.4597 47 L 3.9579 8.2525 121.9369 58.0238 41.3718 179.8717 48 Q 3.5647 7.7270 117.7054 58.7591 28.6271 178.4577 49 E 3.9505 7.9830 118.1159 59.0614 29.6618 178.9462 50 A 4.0686 8.0324 121.9626 54.9796 18.4382 179.3973 51 L 3.9149 7.7483 118.4979 58.3167 42.2523 179.1596 52 Q 3.9670 8.0900 118.0781 58.8013 28.5635 178.7522 53 R 3.8651 7.9977 119.7180 59.5663 30.1809 178.4058 54 E 4.0187 8.2582 118.3428 59.5396 29.4165 179.5398 55 I 3.8498 7.9410 119.8354 64.4173 37.2067 178.3092 56 M 4.1211 8.0078 119.4436 58.4464 31.6035 178.6310 57 E 3.9726 8.3478 117.8984 59.4501 29.8137 178.9235 58 E 4.3088 8.0319 115.6004 58.2329 30.2925 176.8927 59 M 5.1956 7.8455 115.4215 52.7275 34.1559 175.1988 60 D 4.6043 8.1964 117.0969 55.1860 39.3104 172.2850 61 Y 5.2605 8.0338 119.5117 55.3750 40.2121 175.0222 62 V 4.1428 8.6645 128.0061 62.2629 32.6126 174.6384 63 I 4.8726 8.2204 120.7040 59.0712 40.9950 174.2771 64 E 4.6114 9.1988 123.1567 54.6742 31.6144 175.4614 65 V 3.9531 8.1945 124.4377 62.0743 31.8902 175.5825 66 G 4.3127 8.7885 116.6906 46.3490 0.0000 173.8280 67 E 4.4531 8.8429 124.0317 55.7491 31.0136 175.9230 68 K 3.7624 8.5325 125.1875 56.6355 32.2013 176.5578 69 L 4.2609 8.6957 129.0441 57.3114 42.3292 176.9923 70 L 4.3561 7.1253 115.8859 55.1904 43.5811 173.6206 71 T 4.8097 8.2765 116.1690 61.7490 71.2908 173.7060 72 V 4.0080 8.7530 127.5689 61.9539 32.5783 174.7237 73 H 4.9905 8.5621 125.0356 55.0872 30.4744 174.2444 74 H 4.7788 8.1233 117.0932 53.8060 32.7078 173.4516 75 T 4.5411 7.7891 108.6670 61.3917 69.1098 173.8953 76 Y 4.5169 7.5943 119.6280 58.5942 38.3978 174.9343 77 P 4.4472 0.0000 0.0000 65.3627 31.7918 177.2903 78 D 4.4807 8.1491 116.3884 55.3471 41.5941 176.7422 79 F 4.7922 7.9278 115.5513 55.4729 42.7455 173.9459 80 E 4.5233 8.8796 124.2032 55.7611 30.2423 175.2639 81 I 5.1720 8.4439 125.4506 59.7535 40.8834 174.8701 82 T 4.9517 9.0742 122.8659 61.9650 72.6764 172.4254 83 M 5.0921 8.9086 125.9276 54.0950 35.1887 174.1869 84 H 5.1952 9.2709 122.0327 54.0765 32.3004 172.1578 85 A 5.0877 8.5216 125.9789 50.2971 21.1517 175.5015 86 F 5.1075 8.9106 120.5391 55.0987 42.9106 174.5186 87 L 4.5086 9.0059 126.1023 55.4596 42.6215 175.4412 88 C 5.2653 9.2972 123.6232 58.2052 32.3421 172.5131 89 H 5.2184 8.9441 119.4157 53.3591 31.2256 171.8801 90 P 4.3671 0.0000 0.0000 62.9109 31.6282 175.8175 91 V 4.0854 8.6217 123.7329 64.7501 32.6922 176.7098 92 G 4.0719 8.0649 106.8118 45.6593 0.0000 172.5761 93 Q 4.8413 8.5681 115.1077 55.1813 30.1492 175.4464 94 R 4.7766 8.1753 118.2090 54.8340 33.3531 173.2248 95 Y 5.1603 8.1608 123.1641 55.2346 41.4599 174.3923 96 V 4.2777 9.3356 121.9398 61.2480 34.4966 174.7745 97 L 4.6117 8.3442 127.6407 52.5874 41.4171 175.7118 98 K 4.0278 8.2936 123.2019 55.6286 32.5992 177.2137 99 E 3.8053 8.7373 124.5716 57.7020 29.8890 175.3694 100 H 3.9789 8.2600 117.3794 57.0204 26.9765 175.2818 101 I 4.3323 7.6544 119.1298 59.4966 39.1891 175.1590 102 A 4.5694 8.2228 129.2039 50.7983 20.4356 175.7414 103 A 5.1093 8.5120 122.0645 50.2025 22.1908 175.4653 104 Q 4.6906 9.1385 120.0193 53.8317 33.2069 174.7989 105 W 5.2158 8.9303 122.2586 55.7470 30.1334 175.7308 106 L 5.2495 8.9293 125.0600 52.7665 45.5471 177.1442 107 S 5.3600 9.6945 117.1481 56.9937 64.4621 175.3266 108 T 3.9520 8.7581 111.6837 65.1571 67.9790 176.4104 109 R 4.1002 7.9665 117.0005 58.5060 30.1940 178.1121 110 E 4.1597 7.9121 118.7696 59.5530 29.0519 178.9530 111 M 4.4035 8.2421 118.5633 58.1300 31.7925 178.4277 112 A 4.2196 7.8201 119.9353 54.0517 18.6865 178.0386 113 I 4.1048 7.1995 108.0815 61.1654 38.2455 175.7023 114 L 4.5116 7.2679 120.7305 53.1632 43.5533 176.2530 115 D 4.6667 8.4254 121.4819 54.1758 41.1712 175.2443 116 W 5.1701 8.6959 123.2678 54.6620 31.3106 176.5799 117 A 4.1966 9.2010 125.4338 52.0975 18.5317 178.5162 118 E 3.9399 9.1193 120.5357 59.4318 29.5915 179.3760 119 A 4.1946 8.1460 119.3059 54.6844 18.7883 178.2701 120 D 4.7602 8.1154 116.1956 55.3421 41.3995 178.8219 121 K 3.7935 7.6940 118.5671 59.2088 32.1158 177.1896 122 P 4.1926 0.0000 0.0000 65.5280 31.1423 178.7622 123 I 3.4891 7.5415 118.2285 64.1697 36.8285 178.4213 124 V 3.2377 7.4276 119.0467 65.7780 31.0307 177.9063 125 R 3.7916 7.8264 117.6196 59.2973 30.1350 178.1563 126 K 3.9831 7.9444 119.2145 59.6278 32.0378 178.6440 127 I 3.5216 7.6147 119.2042 64.5348 36.9421 178.0536 128 S 4.1954 7.5028 113.1760 60.9640 62.4015 173.6460 129 E 4.1705 7.6509 122.4010 56.3834 29.6498 175.7938 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 0 S 8.33 4.46 0.00 4.19 3.42 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 0.00 1 L 8.96 4.06 0.00 2.12 1.83 0.92 0.61 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 2 K 8.71 4.20 0.00 1.87 1.97 0.00 1.52 0.00 0.00 1.85 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 S 7.64 4.96 0.00 3.92 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 4 I 9.10 4.59 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.93 0.00 0.00 5 E 8.89 5.15 0.00 1.91 1.92 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 2.35 2.25 0.00 6 V 8.96 4.87 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 1.15 0.00 0.00 0.97 0.00 0.00 7 V 9.03 5.16 2.18 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 0.86 0.00 0.00 1.04 0.00 0.00 8 A 9.15 5.32 1.25 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 0.00 0.00 9 A 9.23 4.90 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 10 V 8.84 4.09 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 0.93 0.00 0.00 0.40 0.00 0.00 11 I 8.29 4.94 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.13 1.13 0.00 0.00 12 R 8.77 5.12 0.00 1.83 1.79 0.00 2.94 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.00 13 L 8.66 4.58 0.00 1.20 1.20 0.48 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.35 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 0.00 0.00 0.00 15 E 8.68 4.38 0.00 2.19 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 2.32 2.36 0.00 16 K 7.81 5.05 0.00 2.01 1.99 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 17 Y 9.18 5.34 0.00 3.04 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 18 L 8.68 3.56 0.00 0.27 1.25 -0.54 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19 C 9.04 4.84 0.00 2.81 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 20 V 8.74 4.68 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 0.56 0.00 0.00 0.93 0.00 0.00 21 Q 9.22 4.56 0.00 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 22 R 8.04 4.11 0.00 1.74 1.81 0.00 3.09 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 *32 F 7.84 4.16 0.00 2.96 2.92 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 33 R 8.13 4.58 0.00 1.78 2.01 0.00 3.12 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 34 Y 8.68 4.41 0.00 1.60 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 35 E 8.94 5.34 0.00 2.21 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 0.00 2.29 2.33 0.00 36 F 9.02 5.09 0.00 3.24 3.26 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 37 P 0.00 4.45 0.00 2.18 2.21 0.00 4.27 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 38 G 7.82 3.99 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 0.00 0.00 0.00 39 G 6.97 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 40 K 8.27 4.88 0.00 1.67 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 41 V 8.41 4.00 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 0.74 0.00 0.00 0.95 0.00 0.00 42 E 8.89 4.38 0.00 2.13 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 0.00 2.33 2.30 0.00 43 E 8.63 4.15 0.00 1.97 1.92 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 2.34 2.27 0.00 44 G 9.06 4.08 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 0.00 0.00 0.00 45 E 7.78 5.05 0.00 2.13 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 0.00 2.25 2.18 0.00 46 S 8.37 4.46 0.00 4.02 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 47 L 8.25 3.96 0.00 1.68 1.78 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.73 3.56 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.19 1.72 0.00 49 E 7.98 3.95 0.00 2.13 2.16 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 0.00 2.40 2.29 0.00 50 A 8.03 4.07 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 51 L 7.75 3.91 0.00 1.83 1.65 0.98 0.63 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 52 Q 8.09 3.97 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 53 R 8.00 3.87 0.00 1.89 2.00 0.00 3.25 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 1.63 1.67 0.00 54 E 8.26 4.02 0.00 2.23 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 2.47 2.52 0.00 55 I 7.94 3.85 1.89 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 1.80 0.92 1.04 0.00 0.00 56 M 8.01 4.12 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 57 E 8.35 3.97 0.00 1.98 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 2.36 2.45 0.00 58 E 8.03 4.31 0.00 2.16 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 2.60 2.39 0.00 59 M 7.85 5.20 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 60 D 8.20 4.60 0.00 2.85 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 61 Y 8.03 5.26 0.00 3.12 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 62 V 8.66 4.14 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 1.03 0.00 0.00 0.99 0.00 0.00 63 I 8.22 4.87 1.73 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 1.24 0.77 0.43 0.00 0.00 64 E 9.20 4.61 0.00 2.00 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 2.23 2.37 0.00 65 V 8.19 3.95 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 0.29 0.00 0.00 0.83 0.00 0.00 66 G 8.79 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 0.00 0.00 0.00 0.00 67 E 8.84 4.45 0.00 1.94 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 2.45 2.28 0.00 68 K 8.53 3.76 0.00 1.22 1.51 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.59 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.06 0.75 7.81 69 L 8.70 4.26 0.00 1.48 1.53 0.78 0.74 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 70 L 7.13 4.36 0.00 1.55 1.59 0.80 0.27 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 71 T 8.28 4.81 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 0.95 0.00 0.00 72 V 8.75 4.01 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 0.88 0.00 0.00 0.85 0.00 0.00 73 H 8.56 4.99 0.00 2.97 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.12 4.78 0.00 2.78 1.90 0.00 5.79 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 75 T 7.79 4.54 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 1.16 0.00 0.00 76 Y 7.59 4.52 0.00 3.29 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 77 P 0.00 4.45 0.00 2.07 2.14 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 78 D 8.15 4.48 0.00 2.77 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 79 F 7.93 4.79 0.00 3.03 2.96 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 80 E 8.88 4.52 0.00 2.20 1.96 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 2.40 2.44 0.00 81 I 8.44 5.17 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.97 0.00 0.00 82 T 9.07 4.95 4.49 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 0.91 0.00 0.00 83 M 8.91 5.09 0.00 2.13 1.92 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 2.45 2.54 0.00 84 H 9.27 5.20 0.00 3.24 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.52 5.09 1.05 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 86 F 8.91 5.11 0.00 2.88 2.89 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 87 L 9.01 4.51 0.00 1.82 1.62 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 C 9.30 5.27 0.00 2.85 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 89 H 8.94 5.22 0.00 3.02 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.37 0.00 2.01 1.82 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 2.15 2.21 0.00 91 V 8.62 4.09 2.17 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 0.75 0.00 0.00 0.92 0.00 0.00 92 G 8.06 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 93 Q 8.57 4.84 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 94 R 8.18 4.78 0.00 1.85 1.80 0.00 3.30 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 95 Y 8.16 5.16 0.00 2.75 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 0.00 0.00 0.00 96 V 9.34 4.28 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 0.95 0.00 0.00 0.92 0.00 0.00 97 L 8.34 4.61 0.00 1.62 1.73 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.29 4.03 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.37 7.81 99 E 8.74 3.81 0.00 1.77 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 0.00 2.14 2.04 0.00 100 H 8.26 3.98 0.00 3.18 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.65 4.33 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 0.82 0.00 0.00 102 A 8.22 4.57 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.51 5.11 1.10 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 0.00 0.00 104 Q 9.14 4.69 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 105 W 8.93 5.22 0.00 3.23 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 0.00 106 L 8.93 5.25 0.00 1.70 1.60 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 S 9.69 5.36 0.00 4.09 4.09 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 0.00 108 T 8.76 3.95 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 1.33 0.00 0.00 109 R 7.97 4.10 0.00 2.00 2.14 0.00 3.12 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 110 E 7.91 4.16 0.00 2.39 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 2.36 2.39 0.00 111 M 8.24 4.40 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.98 0.00 112 A 7.82 4.22 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 0.00 0.00 0.00 0.00 0.00 113 I 7.20 4.10 1.88 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 1.49 0.64 0.93 0.00 0.00 114 L 7.27 4.51 0.00 1.64 1.06 -0.29 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.43 4.67 0.00 2.63 2.66 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 0.00 116 W 8.70 5.17 0.00 3.21 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 0.00 117 A 9.20 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 9.12 3.94 0.00 2.15 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 2.44 2.51 0.00 119 A 8.15 4.19 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 0.00 120 D 8.12 4.76 0.00 3.20 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 0.00 121 K 7.69 3.79 0.00 1.97 1.87 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.56 1.84 7.81 122 P 0.00 4.19 0.00 2.08 2.04 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 123 I 7.54 3.49 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.18 0.00 0.00 124 V 7.43 3.24 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 -0.45 0.00 0.00 125 R 7.83 3.79 0.00 1.94 1.99 0.00 3.27 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 126 K 7.94 3.98 0.00 1.85 1.85 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.39 7.81 127 I 7.61 3.52 1.74 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.37 0.37 0.00 0.00 128 S 7.50 4.20 0.00 3.79 3.98 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 0.00 129 E 7.65 4.17 0.00 2.07 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 2.47 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.