NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.3479 8.4445 119.1185 54.2429 30.2163 175.0673 10 K 4.5874 7.7547 118.7598 52.8439 35.4346 177.9368 11 R 4.3007 9.1381 121.8343 55.6719 31.7824 176.9988 12 S 4.2594 8.5850 115.8857 61.6205 62.9553 174.4057 13 E 4.6808 7.5702 114.2278 55.8099 31.5510 174.0175 14 E 4.6488 8.3338 118.7082 54.0967 31.7172 176.2714 15 L 3.9067 8.3002 120.8151 55.5458 42.3586 177.0610 16 S 5.1933 8.2989 117.0880 55.6137 66.1250 174.9366 17 R 4.5874 8.2134 120.5036 59.1864 29.5114 179.3867 18 G 3.7077 8.1980 104.9131 47.7608 0.0000 175.2529 19 F 4.0620 8.2198 122.5977 61.4017 39.3371 176.9200 20 Y 3.9168 8.2579 115.8192 60.9223 37.5768 177.7399 21 E 3.9173 8.5649 119.3270 59.2611 29.5752 178.8161 22 L 4.0433 7.7215 119.7314 57.4456 42.2852 177.9615 23 V 4.1337 6.8678 108.4436 61.0324 33.0106 175.3578 24 Y 4.3126 8.5471 122.1332 56.3098 39.4098 172.8937 25 P 3.4627 0.0000 0.0000 60.5686 33.3610 173.6259 26 P 4.4004 0.0000 0.0000 62.8580 32.5008 175.2704 27 V 4.8965 8.2129 121.9134 61.2483 34.7619 173.8937 28 D 5.0483 9.3107 127.1132 52.8809 43.2642 175.0140 29 M 5.1459 8.6761 122.3570 54.0085 35.0170 173.6228 30 Y 4.9964 8.2287 123.2683 55.9207 42.6266 173.0726 31 E 5.2288 8.9818 118.1682 54.6921 31.7316 176.0145 32 E 4.6766 8.8703 124.6691 55.7895 33.8931 174.6746 33 G 3.9177 8.5703 116.0445 47.1577 0.0000 175.2280 34 G 3.4972 8.7483 111.9929 48.1765 0.0000 171.9898 35 Y 5.0166 7.8613 117.1633 56.4697 40.8133 174.5660 36 L 4.7447 8.6215 123.6389 54.4071 43.6493 175.3296 37 V 4.5844 8.7198 126.9974 60.9657 33.9661 174.1826 38 V 4.7280 8.9874 128.2612 61.0166 34.0569 174.2196 39 V 4.8752 9.1848 127.5691 61.0222 34.3950 173.9326 40 A 5.0911 8.9820 129.0203 50.2029 22.4322 174.6481 41 D 4.7877 8.5446 122.7287 52.7458 41.0348 177.1230 42 L 5.1210 8.8838 128.5456 53.6122 40.8126 176.4679 43 A 4.2728 8.4543 123.2638 53.7622 19.4271 177.8258 44 G 3.8159 9.1124 108.1074 46.6941 0.0000 173.2956 45 F 4.8038 8.1720 116.2959 55.0775 42.4332 174.3326 46 N 4.9258 8.4632 120.2360 51.8329 40.1694 175.6628 47 K 3.6851 8.9157 125.9216 59.7718 32.2576 178.0725 48 E 4.1289 8.3111 115.8922 57.9694 29.8977 177.0932 49 K 4.5602 8.3261 117.6414 56.0367 33.7248 175.2773 50 I 4.6429 7.3230 122.2570 59.9004 38.1882 175.4453 51 K 4.8036 9.5052 126.3701 54.6538 36.2638 175.1173 52 A 5.2218 8.1454 122.9232 50.7721 22.3767 175.5806 53 R 4.4324 8.2754 114.9465 55.4399 33.2273 173.7384 54 V 5.1434 8.4598 123.3587 62.4685 32.6191 175.8800 55 S 4.5336 8.3144 124.2849 58.5011 66.4283 171.9653 56 G 4.2023 8.9043 115.8339 47.3197 0.0000 173.8505 57 Q 4.3959 7.7578 120.6388 54.7136 25.3589 175.7270 58 N 4.8227 8.0774 115.7876 53.0263 39.0916 174.4714 59 E 5.1127 7.8175 118.6878 54.5745 32.7193 174.6448 60 L 4.9155 8.8867 125.6681 53.5029 44.2098 174.6408 61 I 4.8912 8.5600 127.4253 59.3411 40.3378 174.0202 62 I 4.7116 8.6666 130.2347 59.6447 39.7928 174.5159 63 E 5.4786 9.3194 124.9300 53.7089 33.7176 174.4941 64 A 5.6155 8.4902 122.7433 51.9494 22.5829 174.7576 65 E 5.5454 8.7852 117.0173 55.3276 32.7677 174.3536 66 R 4.7195 8.9034 119.1626 55.8960 32.9206 174.5886 67 E 4.4900 8.5677 115.9798 54.5828 31.0978 176.5965 68 I 4.4630 7.9914 123.2535 58.8960 39.8647 175.4631 69 T 4.2594 8.3516 119.8702 61.6799 68.4353 174.1431 70 E 4.6451 8.0896 124.2979 53.6617 29.3580 174.2580 71 P 4.3775 0.0000 0.0000 63.3247 33.5669 179.2580 72 G 3.7332 7.9701 110.2256 46.8524 0.0000 175.5798 73 V 4.1622 8.3132 122.8608 60.3287 32.8729 174.4650 74 K 4.4821 8.0658 125.3371 55.3504 34.6068 175.2885 75 Y 4.6417 8.4427 117.6282 58.7781 40.2700 176.3626 76 L 4.7347 7.7129 116.9841 53.1633 45.2618 175.8521 77 T 4.4555 8.3668 115.9871 60.7592 68.9606 173.5950 78 Q 4.4897 8.3220 126.7424 55.8503 31.4626 176.2561 79 R 3.8047 7.7916 117.4046 54.8594 30.4544 174.6078 80 P 4.3957 0.0000 0.0000 62.9635 32.2208 176.3895 81 K 4.2690 9.5137 124.1441 59.1589 33.3490 177.1700 *82 Y 5.3403 8.0994 117.9859 55.4528 40.8919 177.3792 83 V 4.4595 8.9620 122.6929 60.7491 34.9629 174.7197 84 R 4.5024 8.6177 127.3980 54.9100 31.6591 172.7332 85 K 4.4661 9.1571 127.9601 54.3090 33.8988 175.2275 86 V 4.2353 8.3207 128.6104 60.9372 32.6567 175.8468 87 I 4.2653 8.8983 130.7654 59.6057 38.7586 176.0057 88 R 4.2849 8.4964 128.2406 57.0250 29.5484 173.7487 89 L 4.1865 8.4149 125.4853 53.2531 41.9424 176.1234 90 P 4.1966 0.0000 0.0000 64.0797 31.8054 175.5464 91 Y 4.9745 7.3302 113.9591 56.2648 40.7026 173.9393 92 N 5.0894 8.5195 117.2599 52.0424 40.8028 174.7732 93 V 4.5636 7.9768 118.9324 60.9608 36.3762 175.5569 94 A 4.0380 8.7838 125.2583 54.9137 16.9596 180.1913 95 K 4.5553 8.9740 118.1292 55.0172 35.0094 177.8111 96 D 4.6568 8.5455 117.4491 53.1509 42.3493 181.0667 97 A 3.7312 9.0275 123.4918 52.5439 18.8317 178.8654 98 E 4.2841 8.2977 117.8940 55.0855 27.7998 175.3197 99 I 4.2075 7.4622 112.5470 60.4659 38.1002 176.2811 100 S 4.7931 8.5244 123.1484 57.0912 64.9394 172.7348 101 G 4.5848 8.2286 109.8743 45.1916 0.0000 171.8934 102 K 4.9268 8.9381 118.7999 55.0334 36.6231 174.8347 103 Y 5.3774 8.5360 121.3771 56.2715 41.3439 174.3538 104 E 4.4142 8.8512 125.9371 56.0626 33.7713 175.0254 105 N 4.0471 9.7653 119.7900 54.4903 37.6984 174.9816 106 G 3.7837 7.7169 102.2760 44.7295 0.0000 173.2259 107 V 4.6548 7.9385 121.2515 61.1228 33.4364 174.3062 108 L 5.0585 9.0682 131.3627 54.5107 43.4732 175.1911 109 T 4.8829 9.0824 124.8039 62.0899 70.6411 173.6572 110 I 4.8315 9.0598 128.4759 59.5010 39.7983 174.8734 111 R 4.8065 8.9890 126.7319 54.3854 32.6386 174.9793 112 I 4.6776 8.6042 125.2479 58.5813 39.9825 173.2882 113 P 4.6816 0.0000 0.0000 63.8415 31.7895 177.2243 114 I 3.6905 7.4254 121.0725 60.7924 37.6598 169.9781 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 9 Q 8.44 4.35 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 10 K 7.75 4.59 0.00 1.79 1.54 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.09 7.81 11 R 9.14 4.30 0.00 1.78 1.89 0.00 3.16 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 12 S 8.58 4.26 0.00 3.85 3.92 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 13 E 7.57 4.68 0.00 2.02 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 2.13 2.26 0.00 14 E 8.33 4.65 0.00 1.99 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 2.24 2.27 0.00 15 L 8.30 3.91 0.00 1.77 1.52 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.30 5.19 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 17 R 8.21 4.59 0.00 1.90 2.04 0.00 3.42 0.00 0.00 3.49 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 18 G 8.20 3.71 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 0.00 0.00 0.00 19 F 8.22 4.06 0.00 3.15 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 20 Y 8.26 3.92 0.00 3.19 3.01 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 0.00 0.00 0.00 21 E 8.56 3.92 0.00 2.08 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 2.63 2.55 0.00 22 L 7.72 4.04 0.00 1.62 1.65 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 23 V 6.87 4.13 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 0.30 0.00 0.00 0.51 0.00 0.00 24 Y 8.55 4.31 0.00 3.12 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 25 P 0.00 3.46 0.00 1.75 1.48 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 26 P 0.00 4.40 0.00 2.10 2.19 0.00 3.29 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 27 V 8.21 4.90 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 0.84 0.00 0.00 0.90 0.00 0.00 28 D 9.31 5.05 0.00 2.69 2.74 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 0.00 0.00 0.00 29 M 8.68 5.15 0.00 1.94 1.85 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 2.37 2.45 0.00 30 Y 8.23 5.00 0.00 3.03 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 31 E 8.98 5.23 0.00 1.97 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 2.34 2.37 0.00 32 E 8.87 4.68 0.00 2.28 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 2.34 0.00 33 G 8.57 3.92 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 0.00 0.00 0.00 34 G 8.75 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.86 5.02 0.00 2.87 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 36 L 8.62 4.74 0.00 1.83 1.58 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.72 4.58 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 0.00 0.00 0.67 0.00 0.00 0.88 0.00 0.00 38 V 8.99 4.73 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 0.81 0.00 0.00 0.84 0.00 0.00 39 V 9.18 4.88 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 0.78 0.00 0.00 1.03 0.00 0.00 40 A 8.98 5.09 1.12 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 0.00 0.00 41 D 8.54 4.79 0.00 2.51 2.68 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 0.00 0.00 0.00 42 L 8.88 5.12 0.00 1.51 1.69 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.45 4.27 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.11 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 0.00 0.00 0.00 45 F 8.17 4.80 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 46 N 8.46 4.93 0.00 2.84 2.72 0.00 0.00 6.48 6.97 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 47 K 8.92 3.69 0.00 1.92 1.85 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.60 7.81 48 E 8.31 4.13 0.00 2.01 1.99 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 2.32 2.34 0.00 49 K 8.33 4.56 0.00 1.73 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.57 7.81 50 I 7.32 4.64 1.79 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.45 0.68 0.00 0.00 51 K 9.51 4.80 0.00 1.55 1.60 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.31 7.81 52 A 8.15 5.22 1.12 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 0.00 0.00 53 R 8.28 4.43 0.00 1.78 1.96 0.00 2.75 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 54 V 8.46 5.14 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 0.97 0.00 0.00 0.93 0.00 0.00 55 S 8.31 4.53 0.00 3.40 3.63 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 56 G 8.90 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.76 4.40 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 2.08 1.68 0.00 58 N 8.08 4.82 0.00 2.74 3.08 0.00 0.00 6.10 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 59 E 7.82 5.11 0.00 2.16 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 2.21 2.21 0.00 60 L 8.89 4.92 0.00 1.58 1.48 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.56 4.89 1.84 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 1.19 1.35 0.93 0.00 0.00 62 I 8.67 4.71 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.85 0.00 0.00 63 E 9.32 5.48 0.00 1.79 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 2.18 2.04 0.00 64 A 8.49 5.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.79 5.55 0.00 2.00 1.94 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 2.22 2.37 0.00 66 R 8.90 4.72 0.00 1.57 1.58 0.00 2.53 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.00 67 E 8.57 4.49 0.00 2.00 1.77 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 2.17 1.88 0.00 68 I 7.99 4.46 1.81 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 1.17 0.97 0.85 0.00 0.00 69 T 8.35 4.26 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 1.18 0.00 0.00 70 E 8.09 4.65 0.00 1.92 1.81 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 2.16 2.25 0.00 71 P 0.00 4.38 0.00 2.02 1.97 0.00 3.80 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 2.01 2.06 0.00 72 G 7.97 3.73 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 0.00 0.00 0.00 73 V 8.31 4.16 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 0.43 0.00 0.00 0.87 0.00 0.00 74 K 8.07 4.48 0.00 1.80 1.66 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.34 7.81 75 Y 8.44 4.64 0.00 2.98 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 76 L 7.71 4.73 0.00 1.61 1.51 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.37 4.46 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 1.22 0.00 0.00 78 Q 8.32 4.49 0.00 1.83 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.87 0.00 0.00 0.00 0.00 0.00 2.64 2.33 0.00 79 R 7.79 3.80 0.00 1.66 1.70 0.00 3.12 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 80 P 0.00 4.40 0.00 2.25 2.08 0.00 3.36 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 81 K 9.51 4.27 0.00 1.91 1.90 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.36 7.81 *82 Y 8.10 5.34 0.00 2.04 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 0.00 0.00 0.00 83 V 8.96 4.46 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 0.90 0.00 0.00 1.10 0.00 0.00 84 R 8.62 4.50 0.00 1.79 1.77 0.00 3.25 0.00 0.00 3.14 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 85 K 9.16 4.47 0.00 1.83 1.60 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.35 7.81 86 V 8.32 4.24 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 0.74 0.00 0.00 0.94 0.00 0.00 87 I 8.90 4.27 1.94 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 1.04 0.56 0.86 0.00 0.00 88 R 8.50 4.28 0.00 1.59 1.77 0.00 3.26 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 89 L 8.41 4.19 0.00 1.80 1.73 0.95 0.83 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 90 P 0.00 4.20 0.00 1.07 1.74 0.00 3.41 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 91 Y 7.33 4.97 0.00 2.98 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 92 N 8.52 5.09 0.00 2.73 2.74 0.00 0.00 6.54 7.68 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 93 V 7.98 4.56 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 0.77 0.00 0.00 0.97 0.00 0.00 94 A 8.78 4.04 1.08 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 95 K 8.97 4.56 0.00 1.73 1.61 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 0.94 7.81 96 D 8.55 4.66 0.00 2.62 2.23 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 97 A 9.03 3.73 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 98 E 8.30 4.28 0.00 1.94 1.94 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 2.29 2.37 0.00 99 I 7.46 4.21 1.85 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 1.22 0.69 0.91 0.00 0.00 100 S 8.52 4.79 0.00 3.84 3.63 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 0.00 101 G 8.23 4.58 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 0.00 0.00 0.00 102 K 8.94 4.93 0.00 1.82 1.87 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.37 7.81 103 Y 8.54 5.38 0.00 2.84 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 0.00 104 E 8.85 4.41 0.00 1.95 1.69 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 2.19 2.22 0.00 105 N 9.77 4.05 0.00 2.72 2.77 0.00 0.00 7.15 7.98 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 0.00 106 G 7.72 3.78 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 0.00 0.00 0.00 107 V 7.94 4.65 2.21 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 0.94 0.00 0.00 1.05 0.00 0.00 108 L 9.07 5.06 0.00 1.90 1.57 0.91 0.69 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 0.00 109 T 9.08 4.88 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 1.19 0.00 0.00 110 I 9.06 4.83 1.80 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 1.18 1.19 0.86 0.00 0.00 111 R 8.99 4.81 0.00 1.29 1.21 0.00 2.77 0.00 0.00 2.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 112 I 8.60 4.68 1.91 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 1.22 0.90 0.95 0.00 0.00 113 P 0.00 4.68 0.00 1.98 2.08 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 114 I 7.43 3.69 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 1.16 0.39 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.