NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.5713 8.4401 117.3742 53.3585 30.4287 173.4563 7 A 3.2411 7.5862 120.2085 57.0747 14.8767 178.8237 8 F 3.2327 8.3492 120.4792 59.9187 38.2817 173.5772 9 Q 4.2690 8.8006 131.9426 57.9570 28.3396 175.1018 10 G 3.7853 8.2089 111.1700 44.4419 0.0000 172.4962 11 R 4.3758 8.2128 120.7861 53.8968 28.8537 176.4940 12 K 2.4800 7.8307 124.0393 55.6438 32.6987 176.3650 13 L 4.3999 7.8145 124.2729 54.2431 42.7535 177.6859 14 T 4.1404 9.7000 113.8194 61.4265 70.9608 175.4169 15 D 4.4265 8.6800 121.8062 57.8657 40.7620 179.5632 16 Q 3.9548 7.9231 117.8098 58.9190 28.9409 177.8939 17 E 3.8915 8.3744 119.9087 59.5733 29.5586 179.0300 18 R 3.8496 8.5317 118.4148 59.9789 29.8649 178.2364 19 A 4.0004 7.8993 118.8303 55.0167 18.1658 179.0438 20 R 4.0564 8.0273 116.9298 58.6407 30.1253 178.8798 21 V 3.6780 7.8943 118.4048 65.9057 31.5909 177.8023 22 L 4.0629 8.0616 118.2706 57.2017 41.2367 178.9923 23 E 3.7997 7.4364 118.7723 58.8836 29.8137 177.9421 24 F 4.5742 8.5786 116.6792 58.3704 39.3051 177.5530 25 Q 3.9813 7.7135 120.6614 59.5226 28.7655 178.6650 26 D 4.6886 8.1511 116.3990 55.8936 40.9366 176.8570 27 S 4.7534 8.2728 114.5713 58.0056 64.0110 174.1247 28 I 3.9611 7.7924 122.3549 61.3371 37.6386 174.8943 29 H 4.8182 8.6795 125.6359 54.4520 32.7649 171.8714 30 Y 4.8115 8.1238 122.4628 56.0803 39.6468 175.8790 31 S 4.4888 8.3602 119.3335 56.9177 64.4716 172.5094 32 P 4.5132 0.0000 0.0000 62.5316 31.7797 176.6776 33 R 4.8660 8.3572 119.6700 56.6332 31.3389 174.9316 34 Y 5.2583 8.8776 118.6181 56.2420 42.0545 173.5900 35 S 5.1792 8.8042 113.4213 57.4637 66.2608 173.1052 36 D 5.2850 8.8679 120.7214 52.6153 40.8724 175.6882 37 D 4.5407 8.9591 116.3228 56.9124 41.1973 176.6889 38 N 4.7175 8.3484 113.6435 52.9569 41.3667 173.4687 39 Y 4.5897 9.5536 115.0332 55.8132 42.3132 174.1035 40 E 4.8510 8.3023 121.1190 54.7740 31.9082 174.4900 41 Y 5.1969 9.0581 123.7690 56.5280 42.5037 174.2703 42 R 4.8833 8.0595 115.5597 56.1787 31.8827 173.1577 43 H 4.9118 9.2499 115.5076 53.8327 32.3573 172.1203 44 V 4.4205 8.1645 119.9424 61.4365 33.2531 174.2487 45 M 4.4315 8.7066 128.6149 53.9877 33.6703 174.6786 46 L 4.8223 8.2816 126.4150 52.6134 43.7802 174.8968 47 P 4.2704 0.0000 0.0000 62.7561 32.1214 177.2244 48 K 3.8447 8.8381 123.2892 59.5758 32.6129 178.1570 49 A 3.9149 8.1533 120.2070 55.7527 18.0979 179.1377 50 M 2.9748 7.0235 116.3883 58.2511 31.9355 178.3293 51 L 4.0264 8.2433 119.7917 57.8318 41.6242 179.5363 52 K 3.8759 7.7694 116.8231 59.0904 32.0930 178.0955 53 V 4.2268 7.5268 109.5507 61.0155 31.8759 175.6826 54 I 4.1298 7.6897 122.3359 59.5366 37.8472 174.0943 55 P 4.3190 0.0000 0.0000 62.9367 32.0269 177.2603 56 S 4.4054 8.6229 114.5795 60.3754 63.5151 175.3177 57 D 4.7476 8.2350 119.0113 54.8219 39.8508 176.0643 58 Y 4.4998 8.3287 118.1183 58.1160 38.1244 174.7792 59 F 5.1341 8.0871 118.5102 55.6665 42.0453 175.1263 60 N 4.7708 9.1105 122.6138 51.7832 37.9054 175.5096 61 S 4.3574 8.7405 121.2567 61.2697 62.9751 176.0632 62 E 4.1874 8.1626 118.7981 57.8652 29.6352 177.4087 63 V 4.1426 7.5505 116.2920 61.9574 33.5618 176.4497 64 G 4.0020 9.1995 106.9206 45.0874 0.0000 172.6482 65 T 4.5898 7.4864 110.1734 59.8111 71.9945 173.3014 66 L 4.4718 8.0797 121.4339 53.9135 42.5761 177.6580 67 R 4.2667 8.1182 119.9404 55.5291 30.7881 176.2254 68 I 3.8323 8.2257 119.8201 61.3591 37.5937 175.7229 69 L 4.9372 8.5008 123.8888 52.8926 44.2956 177.2581 70 T 4.2754 8.7302 113.8189 61.0174 70.9111 175.6529 71 E 2.7942 8.3917 121.3242 59.2178 29.6083 178.2961 72 D 3.8147 7.5097 118.2769 57.2192 40.7651 178.5088 73 E 4.3133 7.8006 119.0449 59.3370 29.3471 179.5149 74 W 4.4705 8.2271 116.3328 59.3413 28.0564 178.4152 75 R 4.5756 7.3455 121.2294 58.2910 29.2409 178.7580 76 G 3.8957 8.0307 105.0195 47.9796 0.0000 175.3141 77 L 4.3332 7.8591 118.8862 55.8179 41.6863 178.1986 78 G 4.0782 8.2665 107.6222 44.9888 0.0000 173.5903 79 I 4.2022 7.7227 121.0421 61.0456 37.6291 175.1656 80 T 4.8860 9.1858 115.8434 59.8462 70.8907 173.1931 81 Q 4.4808 8.7132 122.7588 54.1538 31.5781 174.2523 82 S 4.4626 8.5963 113.3547 58.2145 63.3113 173.7920 83 L 4.2216 8.2906 119.5701 55.9923 41.8810 177.5997 84 G 3.8736 8.7937 108.2959 45.7360 0.0000 173.7371 85 W 4.5701 8.2113 119.1310 56.0095 29.9739 175.4131 86 E 4.9105 8.9274 121.6199 54.7406 31.4581 175.0442 87 H 4.6725 9.0432 123.7694 55.5025 30.7141 173.7535 88 Y 4.9129 8.1793 123.6168 54.9233 41.0987 175.3749 89 E 3.9177 8.7641 120.6189 59.3147 29.8955 176.9930 90 C 4.4037 7.4861 115.0369 58.2013 34.3835 172.3990 91 H 4.8583 8.4495 123.9562 53.9031 30.5399 173.4719 92 A 4.0377 8.3313 130.3938 51.3432 18.8065 175.2721 93 P 4.5494 0.0000 0.0000 61.4141 33.1014 175.7240 94 E 4.0940 8.5013 117.4907 55.8216 29.7073 176.7590 95 P 4.4533 0.0000 0.0000 65.7135 31.5540 176.8871 96 H 4.4391 8.2980 111.5532 56.3737 29.1491 174.9226 97 I 4.1555 7.8753 121.9615 59.6568 37.3622 174.7405 98 L 4.4751 8.2161 125.8868 52.6570 43.1529 176.5347 99 L 4.2328 7.9892 123.7536 54.1723 42.4944 175.9486 100 F 5.0125 8.0216 120.0263 55.5642 43.1417 174.1065 101 K 4.3569 7.9503 117.1729 56.5247 34.0322 174.4679 102 R 4.6937 8.3566 117.2039 53.3536 32.6156 173.4161 103 P 4.4136 0.0000 0.0000 62.4387 31.9323 177.4245 104 L 4.0805 8.7425 123.0904 57.4369 41.7596 177.6944 105 N 4.9297 7.8546 116.7514 52.2526 37.4989 176.0504 106 Y 4.4875 7.9511 120.1775 60.3412 38.3130 177.4883 107 E 3.6217 7.3094 119.9285 59.1595 29.6520 178.4249 108 A 3.9644 7.9389 120.3074 55.7278 18.4244 179.4927 109 E 4.0416 7.9064 115.7520 59.2665 29.4523 179.4707 110 L 4.2212 7.7473 118.6713 57.3629 41.7435 179.2288 111 R 3.9115 8.8861 119.6400 58.9566 29.4723 178.5284 112 A 4.0026 8.3588 121.0706 54.9572 18.6511 178.6621 113 A 4.5156 7.8508 119.0201 53.4756 18.5591 180.0049 114 T 3.9909 7.6467 114.7662 66.0294 69.0682 180.7520 115 A 4.3392 7.8561 124.6941 54.0583 19.1903 179.1771 116 A 3.8703 8.0923 117.3547 56.8053 18.5524 180.4005 117 A 3.8609 7.6778 118.2501 55.6796 19.2641 178.0200 118 Q 4.2090 7.5876 116.8487 55.6980 28.0740 178.6953 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 *6 H 8.44 4.57 0.00 2.95 3.05 0.00 7.20 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.59 3.24 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 8 F 8.35 3.23 0.00 3.11 3.31 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 9 Q 8.80 4.27 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 10 G 8.21 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 0.00 0.00 0.00 11 R 8.21 4.38 0.00 1.91 2.13 0.00 3.51 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 12 K 7.83 2.48 0.00 0.79 1.23 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.02 0.53 7.81 13 L 7.81 4.40 0.00 1.62 1.50 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.70 4.14 4.21 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 1.22 0.00 0.00 15 D 8.68 4.43 0.00 2.69 2.77 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 16 Q 7.92 3.95 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 17 E 8.37 3.89 0.00 2.14 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 2.29 2.29 0.00 18 R 8.53 3.85 0.00 1.85 2.18 0.00 3.19 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 19 A 7.90 4.00 1.36 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 0.00 0.00 20 R 8.03 4.06 0.00 1.91 1.94 0.00 3.10 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 21 V 7.89 3.68 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 1.21 0.00 0.00 0.97 0.00 0.00 22 L 8.06 4.06 0.00 1.84 1.74 0.95 0.82 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 23 E 7.44 3.80 0.00 1.67 1.56 0.00 0.00 0.00 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 2.11 0.00 24 F 8.58 4.57 0.00 3.14 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 25 Q 7.71 3.98 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 26 D 8.15 4.69 0.00 2.72 2.75 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 0.00 0.00 0.00 0.00 27 S 8.27 4.75 0.00 3.95 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 28 I 7.79 3.96 1.82 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 1.11 0.75 0.46 0.00 0.00 29 H 8.68 4.82 0.00 3.09 2.97 0.00 5.54 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 30 Y 8.12 4.81 0.00 2.76 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 31 S 8.36 4.49 0.00 3.83 3.45 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 0.00 32 P 0.00 4.51 0.00 2.17 2.09 0.00 3.74 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 2.08 2.15 0.00 33 R 8.36 4.87 0.00 1.84 2.05 0.00 3.69 0.00 0.00 3.69 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 34 Y 8.88 5.26 0.00 3.15 3.04 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 0.00 0.00 0.00 35 S 8.80 5.18 0.00 3.94 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 36 D 8.87 5.28 0.00 2.89 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 37 D 8.96 4.54 0.00 2.71 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 38 N 8.35 4.72 0.00 2.67 2.40 0.00 0.00 6.70 7.46 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 39 Y 9.55 4.59 0.00 2.14 1.70 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 40 E 8.30 4.85 0.00 1.69 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 2.18 2.22 0.00 41 Y 9.06 5.20 0.00 1.43 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 0.00 0.00 0.00 42 R 8.06 4.88 0.00 1.61 1.71 0.00 2.73 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 43 H 9.25 4.91 0.00 3.05 3.35 0.00 5.23 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.16 4.42 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 0.26 0.00 0.00 0.69 0.00 0.00 45 M 8.71 4.43 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 46 L 8.28 4.82 0.00 1.45 1.43 0.85 1.01 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 47 P 0.00 4.27 0.00 2.14 2.18 0.00 3.63 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 1.71 2.06 0.00 48 K 8.84 3.84 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.44 7.81 49 A 8.15 3.91 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 50 M 7.02 2.97 0.00 1.68 0.71 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 2.66 2.49 0.00 51 L 8.24 4.03 0.00 1.92 1.79 0.95 1.11 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 52 K 7.77 3.88 0.00 1.95 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 53 V 7.53 4.23 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 0.88 0.00 0.00 1.25 0.00 0.00 54 I 7.69 4.13 2.33 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 1.33 0.78 0.99 0.00 0.00 55 P 0.00 4.32 0.00 1.83 2.03 0.00 3.09 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 1.61 2.03 0.00 56 S 8.62 4.41 0.00 3.99 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 57 D 8.23 4.75 0.00 2.95 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 58 Y 8.33 4.50 0.00 3.31 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 59 F 8.09 5.13 0.00 3.20 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 60 N 9.11 4.77 0.00 2.70 2.84 0.00 0.00 7.24 7.58 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 61 S 8.74 4.36 0.00 4.04 4.05 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 62 E 8.16 4.19 0.00 2.16 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 2.33 2.37 0.00 63 V 7.55 4.14 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 0.79 0.00 0.00 1.05 0.00 0.00 64 G 9.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 4.59 4.21 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 1.20 0.00 0.00 66 L 8.08 4.47 0.00 1.42 1.44 0.75 -0.02 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 67 R 8.12 4.27 0.00 1.84 1.98 0.00 3.02 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 68 I 8.23 3.83 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.95 0.00 0.00 69 L 8.50 4.94 0.00 1.78 1.67 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.73 4.28 4.13 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 0.00 0.00 0.00 1.21 0.00 0.00 71 E 8.39 2.79 0.00 1.96 1.68 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 1.63 1.47 0.00 72 D 7.51 3.81 0.00 1.65 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.80 4.31 0.00 2.24 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 2.61 2.47 0.00 74 W 8.23 4.47 0.00 3.45 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 75 R 7.35 4.58 0.00 1.73 1.87 0.00 3.10 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 76 G 8.03 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 77 L 7.86 4.33 0.00 1.98 1.86 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.27 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 79 I 7.72 4.20 2.51 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 1.39 0.77 0.99 0.00 0.00 80 T 9.19 4.89 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 1.37 0.00 0.00 81 Q 8.71 4.48 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 82 S 8.60 4.46 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 83 L 8.29 4.22 0.00 1.66 1.64 0.92 0.89 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 84 G 8.79 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 0.00 0.00 0.00 85 W 8.21 4.57 0.00 3.52 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 86 E 8.93 4.91 0.00 2.03 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 2.33 2.37 0.00 87 H 9.04 4.67 0.00 2.87 3.45 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.18 4.91 0.00 3.03 2.75 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 0.00 0.00 0.00 0.00 89 E 8.76 3.92 0.00 1.94 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 2.22 2.18 0.00 90 C 7.49 4.40 0.00 2.80 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 91 H 8.45 4.86 0.00 3.19 3.17 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.33 4.04 1.19 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 0.00 0.00 93 P 0.00 4.55 0.00 2.12 2.04 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 94 E 8.50 4.09 0.00 2.09 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 2.46 2.37 0.00 95 P 0.00 4.45 0.00 2.06 2.18 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 96 H 8.30 4.44 0.00 3.27 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.88 4.16 1.85 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 1.14 0.09 0.84 0.00 0.00 98 L 8.22 4.48 0.00 1.50 1.23 0.97 1.07 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 99 L 7.99 4.23 0.00 1.45 1.48 0.85 0.76 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 0.00 100 F 8.02 5.01 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.95 4.36 0.00 1.82 1.75 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.30 7.81 102 R 8.36 4.69 0.00 1.74 1.71 0.00 2.80 0.00 0.00 2.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 103 P 0.00 4.41 0.00 2.41 2.06 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 104 L 8.74 4.08 0.00 1.67 1.81 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.85 4.93 0.00 2.83 2.98 0.00 0.00 6.04 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 0.00 106 Y 7.95 4.49 0.00 3.22 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 0.00 107 E 7.31 3.62 0.00 1.66 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 2.05 1.47 0.00 108 A 7.94 3.96 1.29 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 0.00 0.00 0.00 109 E 7.91 4.04 0.00 2.25 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 2.34 2.46 0.00 110 L 7.75 4.22 0.00 1.72 1.73 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.89 3.91 0.00 1.94 2.04 0.00 3.06 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 112 A 8.36 4.00 1.42 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 0.00 0.00 113 A 7.85 4.52 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 0.00 114 T 7.65 3.99 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 1.21 0.00 0.00 115 A 7.86 4.34 1.29 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 0.00 0.00 0.00 116 A 8.09 3.87 1.42 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 0.00 0.00 117 A 7.68 3.86 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 0.00 118 Q 7.59 4.21 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.