NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 K 4.3065 8.1733 121.7918 56.4602 34.1786 177.9984 17 L 3.9356 7.7917 118.4859 57.2891 41.3023 177.4492 18 D 4.4813 8.2298 117.1895 56.1449 41.5288 177.4302 19 E 4.1277 7.7724 120.2520 59.1223 29.7641 178.4971 20 L 4.1290 7.8916 118.5715 57.5814 41.9122 179.0722 21 K 3.3459 8.3218 118.7479 59.7813 31.7614 179.1611 22 Q 4.0535 7.5413 115.4644 58.0567 28.6054 177.3307 23 K 4.3655 7.5678 117.3761 55.9566 32.3938 176.0689 24 L 4.8241 7.2287 118.3267 52.3412 45.0928 176.9741 25 T 4.1536 8.1982 111.5318 61.0208 71.0448 175.7061 26 A 3.9531 8.3620 123.1017 55.2882 18.2712 179.9284 27 K 4.0433 7.9673 117.6278 59.7367 32.4124 178.9656 28 Q 3.5941 8.0219 118.5397 58.6548 28.4773 178.8084 29 I 3.7669 7.8209 120.9082 64.4950 37.1854 178.0928 30 Q 4.1473 8.3512 120.1589 59.3412 28.7417 178.4303 31 A 4.2336 8.7184 121.7745 55.1614 18.5135 179.5046 32 A 3.8976 8.5655 119.3791 55.5258 18.3754 179.4642 33 Y 3.8347 8.3083 115.2950 61.0709 37.8925 178.6712 34 L 4.0060 8.3335 121.2783 58.1216 42.1665 178.9131 35 L 3.9777 8.2534 119.2164 57.8510 41.4868 179.8140 36 V 3.3271 7.6059 118.0437 65.9145 31.4069 177.8975 37 E 3.6612 8.0477 118.6072 59.3501 29.0409 178.7755 38 N 4.2590 8.1581 116.3202 56.4143 38.9691 175.9772 39 E 4.3477 7.3972 118.0181 57.3130 30.3278 177.3616 40 L 4.7567 7.9837 115.4418 54.4738 43.1504 176.3980 41 M 4.6713 8.1587 116.2642 54.9754 33.9405 175.6662 *48 K 4.3322 8.0486 117.7153 56.6590 34.0415 176.2591 49 R 4.2631 8.1180 116.8092 56.0980 30.6834 176.8833 50 T 4.3060 8.6644 115.9630 61.2317 69.6904 175.8224 51 Q 4.0278 8.5216 122.0611 59.2065 28.6057 179.0446 52 D 4.3479 8.0158 119.2693 57.3909 40.8725 178.4910 53 E 3.9869 8.1103 118.5913 59.7280 29.5288 179.1987 54 M 4.0715 8.3124 118.5812 58.2328 32.0161 178.7351 55 A 3.9408 8.0903 121.0078 55.1546 18.4037 179.1644 56 N 4.2463 8.5378 116.0599 56.8318 38.7639 176.7116 57 E 3.9622 8.3387 120.2014 58.9914 29.8571 178.1387 58 L 4.3691 7.9858 117.0217 54.4489 42.0940 176.9522 59 G 3.8996 7.7299 107.0757 46.6384 0.0000 173.4293 60 I 4.5678 7.5141 111.0569 58.0920 40.9036 174.5281 61 N 4.5410 8.2021 119.4694 52.8354 39.8664 176.0223 62 R 3.9050 8.5529 120.8499 59.7978 29.3140 179.1668 63 T 3.9135 8.0596 109.7285 64.6251 68.7563 176.7038 64 T 3.5710 7.5429 118.6586 66.1548 68.3805 176.3520 65 L 3.3870 7.3708 121.6866 57.7586 42.2201 178.5430 66 W 4.1484 8.1870 128.4199 60.5067 30.5170 177.7345 67 E 3.6788 8.4086 117.5451 59.0261 28.6936 179.2104 68 W 4.1043 7.8916 119.8629 59.6877 28.8379 178.8154 69 R 4.2301 8.0330 116.8176 58.6267 29.4849 178.2026 70 T 4.2225 7.3537 107.7655 61.9247 70.0895 175.3510 71 K 4.2441 8.0568 118.3679 55.7930 34.2742 176.1940 72 N 4.6872 7.6574 117.6072 52.1574 38.8253 174.9361 73 Q 4.0798 8.4338 128.0412 58.8603 28.8560 178.3032 74 D 4.3869 8.1711 119.6719 57.0525 40.8769 178.2527 75 F 4.1144 8.8264 121.4585 61.3904 39.4522 177.1732 76 I 3.5761 8.0325 119.0845 64.3677 36.8106 178.3087 77 A 3.9501 8.0615 121.4721 55.0138 18.2044 179.4552 78 F 3.9965 8.4072 119.4211 61.3194 39.4253 177.1199 79 K 3.3743 7.9013 119.4056 59.5940 31.8410 178.8430 80 S 3.9815 7.9286 115.2672 61.3225 62.7807 176.3121 81 E 3.7889 7.6992 121.9128 59.4059 29.3888 179.3984 82 V 3.4453 7.3152 112.1092 63.8096 31.4242 178.3625 83 A 3.8810 8.0242 121.2073 55.3136 18.1170 179.3078 84 D 4.2871 8.0976 117.2967 57.4734 40.7123 179.1147 85 S 4.0090 7.8311 113.0289 61.4537 62.2427 176.1435 86 F 3.8987 8.2571 119.1188 60.4324 38.9408 177.1034 87 L 4.0933 8.2003 119.6621 58.1673 41.7852 178.7914 88 A 3.9550 8.2240 120.9051 55.1878 18.0588 179.1275 89 E 3.8825 7.7382 116.4359 58.5924 29.9162 178.1709 90 K 4.2654 7.7687 117.2837 56.6582 32.0387 178.3595 91 R 3.5943 7.4806 121.6184 59.6656 29.9297 178.3557 92 E 3.8144 7.8839 117.5707 59.2795 29.4648 179.1934 93 Q 4.0014 7.9590 117.8043 58.8837 28.7676 178.8203 94 V 3.6195 7.7072 119.1739 66.3126 31.6235 177.5217 95 Y 4.4074 8.2097 116.7009 61.3069 37.6804 178.8198 96 S 4.1725 8.4096 113.9236 61.4290 62.5788 176.3715 97 K 4.0001 7.9680 120.7324 59.2406 31.8486 178.9677 98 L 3.9941 8.2360 120.7355 58.7192 41.9737 179.1303 99 M 4.1242 8.2698 118.4467 58.2923 31.6945 178.7130 100 Q 4.0009 8.2839 118.3974 59.1289 28.8440 179.0375 101 L 4.0453 8.0601 119.8361 57.6007 41.3590 179.7167 102 I 3.7578 7.5810 119.0520 63.7362 37.2665 177.4814 103 L 4.6033 7.8450 116.5502 54.4782 40.8270 177.0300 104 G 3.9588 7.6868 109.9872 44.0835 0.0000 172.7455 105 P 4.2235 0.0000 0.0000 64.2796 31.5195 177.2452 106 Q 4.4997 7.1638 116.8457 51.9873 28.8682 171.8415 107 P 4.3855 0.0000 0.0000 63.1745 31.9852 176.5973 108 S 4.5213 8.8312 117.7235 56.7779 62.9643 174.7639 109 V 3.6224 8.4481 128.0481 65.9583 31.3481 177.6420 110 K 3.9108 8.0827 118.7598 59.4431 32.0692 178.4911 111 A 4.0568 8.0366 120.9725 55.3583 18.2573 179.4656 112 M 4.0487 8.1569 117.3122 58.5114 31.9221 178.6727 113 Q 4.0073 8.3535 119.9477 59.2545 29.1646 178.4502 114 L 3.9666 7.9233 119.8463 57.8297 41.6349 178.6251 115 Y 3.9964 8.1799 119.4636 61.2814 38.7290 178.3417 116 M 4.2317 8.4698 119.3669 58.6500 32.0405 178.8891 117 Q 3.9933 8.4682 118.4696 58.6916 28.6203 178.3217 118 R 3.6512 7.9084 119.5340 58.7127 29.9088 177.5359 119 F 4.7043 7.1576 113.6121 55.9058 39.6764 175.5876 120 G 3.9286 7.7723 106.2978 46.8307 0.0000 175.0535 121 L 4.3735 8.0955 119.2228 54.8217 42.5961 177.2283 122 L 4.6492 7.7380 118.5221 53.1842 43.2645 175.6408 123 T 4.5369 8.4144 119.5689 61.6366 70.3688 173.2825 124 D 4.8092 8.6346 126.1508 51.3493 41.0224 175.4213 125 K 4.5341 8.5771 124.7083 54.1965 34.0885 174.9619 126 K 4.5553 8.5680 125.0260 54.4458 34.6896 175.3891 127 V 4.2734 8.3619 122.9505 61.0996 32.8395 174.6140 128 I 4.5269 8.2298 127.7894 59.4643 39.2598 174.6098 129 E 4.6567 9.0511 124.0926 54.6784 33.1074 175.3717 130 G 3.6898 8.0886 110.0187 44.7041 0.0000 173.3726 131 D 4.4996 8.4200 120.9579 53.4757 39.7191 176.1630 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 16 K 8.17 4.31 0.00 1.85 1.87 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.53 7.81 17 L 7.79 3.94 0.00 1.92 1.95 0.96 0.55 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 18 D 8.23 4.48 0.00 2.65 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 19 E 7.77 4.13 0.00 2.17 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 2.30 2.34 0.00 20 L 7.89 4.13 0.00 2.09 1.86 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.32 3.35 0.00 1.82 1.78 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.10 1.77 7.81 22 Q 7.54 4.05 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 23 K 7.57 4.37 0.00 1.85 1.78 0.00 1.63 0.00 0.00 2.00 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.36 7.81 24 L 7.23 4.82 0.00 1.47 1.29 0.85 0.33 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 25 T 8.20 4.15 4.17 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 0.00 0.00 0.00 1.10 0.00 0.00 26 A 8.36 3.95 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 27 K 7.97 4.04 0.00 1.99 1.96 0.00 1.87 0.00 0.00 2.08 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.80 2.06 7.81 28 Q 8.02 3.59 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 29 I 7.82 3.77 2.03 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.73 1.15 0.00 0.00 30 Q 8.35 4.15 0.00 2.35 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 31 A 8.72 4.23 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 0.00 0.00 0.00 0.00 0.00 32 A 8.57 3.90 1.27 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 0.00 0.00 0.00 33 Y 8.31 3.83 0.00 3.34 3.11 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 0.00 0.00 0.00 0.00 34 L 8.33 4.01 0.00 2.01 1.91 0.97 0.61 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 35 L 8.25 3.98 0.00 2.06 1.70 1.07 1.37 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 36 V 7.61 3.33 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.69 0.00 0.00 37 E 8.05 3.66 0.00 2.05 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 2.50 2.22 0.00 38 N 8.16 4.26 0.00 2.84 2.97 0.00 0.00 7.22 7.94 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 39 E 7.40 4.35 0.00 2.13 1.93 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 2.37 2.43 0.00 40 L 7.98 4.76 0.00 1.55 1.74 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 M 8.16 4.67 0.00 2.01 2.23 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 2.60 2.66 0.00 *48 K 8.05 4.33 0.00 1.79 1.87 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 49 R 8.12 4.26 0.00 1.93 1.86 0.00 3.23 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 50 T 8.66 4.31 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 1.35 0.00 0.00 51 Q 8.52 4.03 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 52 D 8.02 4.35 0.00 2.68 2.70 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 53 E 8.11 3.99 0.00 2.24 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 2.40 2.40 0.00 54 M 8.31 4.07 0.00 2.11 2.14 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 2.88 2.58 0.00 55 A 8.09 3.94 1.34 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 0.00 0.00 56 N 8.54 4.25 0.00 2.85 3.02 0.00 0.00 6.89 7.19 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 57 E 8.34 3.96 0.00 2.17 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 2.36 2.37 0.00 58 L 7.99 4.37 0.00 1.85 1.79 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.73 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 60 I 7.51 4.57 1.61 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 0.92 0.00 0.00 61 N 8.20 4.54 0.00 2.76 2.63 0.00 0.00 6.63 7.65 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 62 R 8.55 3.90 0.00 2.02 2.14 0.00 2.93 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 63 T 8.06 3.91 4.19 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 1.07 0.00 0.00 64 T 7.54 3.57 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 0.28 0.00 0.00 65 L 7.37 3.39 0.00 1.52 1.72 0.98 0.99 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 66 W 8.19 4.15 0.00 3.43 3.34 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 67 E 8.41 3.68 0.00 2.27 2.33 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 2.36 2.35 0.00 68 W 7.89 4.10 0.00 2.89 1.78 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 69 R 8.03 4.23 0.00 1.87 2.04 0.00 3.26 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 70 T 7.35 4.22 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 0.58 0.00 0.00 71 K 8.06 4.24 0.00 1.77 1.81 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.25 1.04 7.81 72 N 7.66 4.69 0.00 2.76 2.95 0.00 0.00 7.03 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 73 Q 8.43 4.08 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 74 D 8.17 4.39 0.00 2.81 2.70 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 75 F 8.83 4.11 0.00 3.00 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 76 I 8.03 3.58 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 0.90 0.00 0.00 77 A 8.06 3.95 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 78 F 8.41 4.00 0.00 3.06 3.09 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 79 K 7.90 3.37 0.00 1.23 1.56 0.00 1.59 0.00 0.00 1.33 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.17 7.81 80 S 7.93 3.98 0.00 3.96 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 81 E 7.70 3.79 0.00 2.07 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 2.25 2.30 0.00 82 V 7.32 3.45 1.50 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 -0.56 0.00 0.00 0.35 0.00 0.00 83 A 8.02 3.88 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 84 D 8.10 4.29 0.00 2.83 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 85 S 7.83 4.01 0.00 3.87 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 86 F 8.26 3.90 0.00 2.94 3.11 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 0.00 0.00 0.00 0.00 87 L 8.20 4.09 0.00 1.86 1.80 0.92 0.94 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 88 A 8.22 3.96 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 89 E 7.74 3.88 0.00 1.92 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 0.00 2.22 2.33 0.00 90 K 7.77 4.27 0.00 1.88 1.78 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.59 7.81 91 R 7.48 3.59 0.00 1.76 1.61 0.00 2.71 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 92 E 7.88 3.81 0.00 2.04 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 2.39 2.45 0.00 93 Q 7.96 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 94 V 7.71 3.62 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 1.18 0.00 0.00 0.96 0.00 0.00 95 Y 8.21 4.41 0.00 3.22 2.99 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 96 S 8.41 4.17 0.00 4.03 4.04 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 97 K 7.97 4.00 0.00 2.00 1.88 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.62 7.81 98 L 8.24 3.99 0.00 1.94 1.93 1.05 1.12 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 99 M 8.27 4.12 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.91 0.00 100 Q 8.28 4.00 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 101 L 8.06 4.05 0.00 1.94 1.73 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.58 3.76 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 1.49 0.59 0.79 0.00 0.00 103 L 7.85 4.60 0.00 1.57 1.66 0.88 1.13 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 0.00 104 G 7.69 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 0.00 0.00 0.00 105 P 0.00 4.22 0.00 2.05 2.11 0.00 3.62 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 2.02 2.10 0.00 106 Q 7.16 4.50 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 107 P 0.00 4.39 0.00 2.15 2.26 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 108 S 8.83 4.52 0.00 3.87 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 0.00 109 V 8.45 3.62 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 1.07 0.00 0.00 0.93 0.00 0.00 110 K 8.08 3.91 0.00 1.92 1.80 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.59 7.81 111 A 8.04 4.06 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 0.00 112 M 8.16 4.05 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.50 0.00 113 Q 8.35 4.01 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 114 L 7.92 3.97 0.00 1.97 1.72 0.95 0.77 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 0.00 115 Y 8.18 4.00 0.00 3.05 3.20 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 0.00 116 M 8.47 4.23 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.74 0.00 117 Q 8.47 3.99 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 118 R 7.91 3.65 0.00 1.47 1.48 0.00 2.98 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 119 F 7.16 4.70 0.00 3.04 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 0.00 120 G 7.77 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 0.00 0.00 0.00 121 L 8.10 4.37 0.00 1.79 1.77 1.00 0.85 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 0.00 122 L 7.74 4.65 0.00 1.63 1.59 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.41 4.54 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 1.21 0.00 0.00 124 D 8.63 4.81 0.00 2.77 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 0.00 125 K 8.58 4.53 0.00 1.71 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 126 K 8.57 4.56 0.00 1.74 1.67 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.32 7.81 127 V 8.36 4.27 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 0.83 0.00 0.00 0.93 0.00 0.00 128 I 8.23 4.53 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 1.30 1.03 0.91 0.00 0.00 129 E 9.05 4.66 0.00 1.85 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 2.28 0.00 130 G 8.09 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 0.00 131 D 8.42 4.50 0.00 2.77 2.65 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 * Residues marked with a * may have inaccurate shift predictions.