NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 C 4.4605 8.3449 120.8329 59.3561 31.6847 172.4051 6 E 4.1484 8.2495 122.2908 54.6522 31.1043 173.3091 7 M 3.6801 8.6105 120.2948 54.7125 29.3296 175.3359 8 K 4.6641 7.8353 121.6693 54.5516 36.1719 174.5259 9 R 4.6870 8.4004 119.8672 54.7797 32.4662 175.7719 10 T 4.5175 8.3653 117.5135 60.6395 70.3093 173.0541 11 T 4.7801 8.5232 123.4915 61.4551 69.4535 172.7968 12 L 4.5172 7.9145 121.0154 54.1095 46.1145 172.7849 13 D 5.1756 8.5845 123.5181 52.6557 42.6161 175.5803 14 S 4.2541 8.5419 119.2370 55.4351 66.1096 173.0604 15 P 4.0844 0.0000 0.0000 64.1477 30.8540 177.0893 16 L 4.0606 7.2422 117.5178 54.0208 42.3748 176.5855 17 G 3.7084 8.2198 106.7217 43.6697 0.0000 173.1655 18 K 4.7518 8.3121 117.2510 56.4280 33.5719 177.0845 19 L 5.1061 8.6808 123.5179 54.1723 43.0861 174.6904 20 E 4.2847 8.9518 127.0643 56.2390 30.6697 175.4003 21 L 5.1795 8.5844 129.0788 53.2692 41.1225 176.4504 22 S 4.7651 8.6371 120.5770 57.2012 65.4631 173.3576 23 G 4.6988 7.5025 111.6748 46.4510 0.0000 171.7629 24 C 4.9088 7.6305 116.6027 56.4578 32.3022 173.8418 25 E 4.1813 8.7530 117.9628 57.6950 29.3137 176.8822 26 Q 4.1187 7.9109 118.1848 57.0756 29.5385 174.9640 27 G 3.8963 6.9064 105.5762 45.2187 0.0000 170.5816 28 L 4.3425 9.0450 122.2008 54.9340 42.3079 176.7883 29 H 5.1651 8.9961 126.3144 57.9546 31.0240 173.7276 30 E 4.5442 8.2285 117.4909 55.8928 33.7406 174.1966 31 I 4.7160 7.7214 114.7664 60.5545 39.3794 171.7364 32 K 4.2307 8.8605 127.8600 55.2576 33.8116 176.0956 33 L 4.6210 8.4652 128.7148 53.5743 39.7888 176.3396 34 L 4.1657 8.0297 122.0243 54.6135 41.7493 178.7849 35 G 3.5763 8.6192 106.3723 46.7276 0.0000 172.5259 *56 P 4.1772 0.0000 0.0000 63.0895 32.3078 176.7269 57 E 3.8259 7.7748 124.4519 59.7071 30.7212 176.6445 58 P 4.1997 0.0000 0.0000 65.8535 31.3411 178.1915 59 L 3.9553 7.9078 116.5568 58.5283 41.5585 179.6811 60 M 4.4175 7.8065 117.0194 57.7099 31.3385 178.3892 61 Q 4.1016 8.0512 120.2351 58.7731 29.2851 177.2639 62 C 4.1760 8.5947 120.3063 62.4817 31.6089 175.5139 63 T 3.9365 8.6495 117.6220 66.5216 67.9815 176.2992 64 A 4.0264 7.8743 122.4734 54.9909 18.4502 179.2574 65 W 3.9745 7.9967 126.1551 60.6587 30.6382 177.9035 66 L 4.4185 8.5225 118.7638 58.3932 41.1732 179.5100 67 N 4.4207 8.3396 115.6903 55.8749 38.3087 177.5857 68 A 3.5225 7.7787 122.6059 55.0626 18.1919 178.7379 69 Y 3.4360 7.6021 117.0151 61.5803 38.7289 177.7860 70 F 4.1306 8.1540 118.0912 59.4026 38.7950 175.4957 71 H 4.8552 8.0998 117.1233 55.5454 29.7474 176.1776 72 Q 4.6222 8.0045 121.4047 53.7090 29.7378 173.9945 73 P 3.8559 0.0000 0.0000 64.3550 31.4145 176.9507 74 E 3.8991 7.8830 118.0009 59.0102 30.0672 177.2609 75 A 4.6032 7.2921 118.6871 51.6972 20.9994 176.9411 76 I 3.5375 7.1883 123.7405 62.7727 38.8993 177.2424 77 E 4.3020 8.0284 117.9171 58.1198 29.5837 177.1562 78 E 4.2199 7.9014 117.2533 57.1453 29.6558 176.4489 79 F 4.7153 7.8691 118.6219 54.4195 41.3838 173.4964 80 P 4.4288 0.0000 0.0000 62.5849 31.8361 176.1280 81 V 3.6940 8.1872 121.9868 61.4538 32.1709 173.9597 82 P 4.4486 0.0000 0.0000 61.9263 31.8491 175.1130 83 A 4.0895 8.2021 119.8962 51.8993 19.6040 177.1604 84 L 4.3900 8.2505 123.0317 53.7655 40.8893 174.4157 85 H 4.6937 8.6192 120.8310 55.6602 30.3344 172.5889 86 H 4.6043 8.6289 122.7145 53.1493 32.3600 172.4342 87 P 4.1883 0.0000 0.0000 65.8767 30.8256 179.1282 88 V 3.2941 7.7699 116.5942 64.0237 31.5955 177.5148 89 F 4.7335 8.0389 116.6146 58.7980 39.3834 177.7665 90 Q 4.1747 8.1836 117.2389 57.9678 28.8849 175.8383 91 Q 4.3181 7.2884 119.4634 54.4893 30.9260 173.4839 92 E 4.4645 8.4258 119.7270 54.4019 30.6955 174.4220 93 S 4.6231 8.0153 119.8154 56.0895 66.1062 173.9105 94 F 4.4222 8.9596 121.4496 62.0393 39.2601 177.0975 95 T 3.5605 8.1368 114.8622 67.4045 68.0555 175.1778 96 R 3.8938 7.9736 119.9741 58.9648 29.3106 177.9442 97 Q 4.0651 8.2009 117.0993 59.4289 28.9620 179.5077 98 V 3.6990 7.3866 117.5037 66.2626 31.7598 177.8899 99 L 4.0889 7.7995 117.9703 57.5390 41.7653 179.0746 100 W 3.7490 8.7198 128.7622 60.4489 30.7127 177.8749 101 K 4.1933 9.6461 119.6781 59.0230 30.1856 178.5693 102 L 4.0130 7.8789 120.7963 56.8067 41.7604 177.6647 103 L 4.5202 7.2107 115.6141 55.6305 41.1589 177.3371 104 K 4.4004 7.7969 117.8446 56.6179 33.4572 176.5701 105 V 4.2370 7.6445 115.7416 62.1550 33.3360 175.5728 106 V 4.2180 6.9061 117.2188 61.1575 30.2460 175.2361 107 K 4.3904 8.7959 126.8400 54.5131 33.1683 176.4661 108 F 4.2528 8.6805 122.1061 60.4560 39.5725 173.2639 109 G 3.8579 9.0536 120.3283 45.6534 0.0000 173.9774 110 E 4.0628 7.0408 118.0401 56.5221 30.0921 176.6404 111 V 4.7233 7.9314 119.2664 61.4744 35.1131 174.3605 112 I 4.7022 8.6262 125.0231 59.4101 41.9871 174.0632 113 S 5.4432 8.6230 122.4091 57.9031 63.5195 174.0859 114 Y 4.0090 9.4195 124.0970 61.5076 37.6595 179.0547 115 Q 3.9884 8.1323 119.3203 59.6110 29.1539 178.0905 116 Q 4.0524 8.3298 118.4782 59.1140 28.5952 179.2877 117 L 3.9432 8.1726 120.8782 58.1565 42.0312 178.5775 118 A 4.3056 7.8166 119.1252 55.2692 18.3660 179.3972 119 A 4.1085 8.0374 119.2074 55.5174 18.3589 179.6084 120 L 4.0111 7.4244 115.9613 57.9399 41.7457 178.8532 121 A 4.5464 8.1182 118.2933 50.3764 18.6786 177.0467 122 G 3.8449 9.0451 112.3592 45.0088 0.0000 175.3549 123 N 4.1682 9.3445 125.7586 53.3869 39.0312 171.4185 124 P 4.5057 0.0000 0.0000 64.5260 32.1150 177.6558 125 K 4.4527 7.9853 116.9196 56.5130 32.0947 177.2865 126 A 4.6551 7.3505 120.6145 50.0617 18.6450 176.5058 127 A 4.4361 7.9815 124.7927 54.0547 19.9283 179.0624 128 R 3.8405 8.1801 116.5143 59.7918 29.8696 178.3478 129 A 4.2039 8.1115 120.0207 54.8592 18.6407 179.2956 130 V 3.6441 8.4871 116.8055 65.3597 31.4060 178.1183 131 G 3.8794 8.1521 105.8031 47.8986 0.0000 175.9896 132 G 3.7648 8.2354 108.2274 46.8938 0.0000 175.2676 133 A 3.9336 8.0104 122.4655 55.4022 18.6247 179.3015 134 M 4.0494 7.9177 117.5088 58.4541 31.8047 179.2568 135 R 3.9464 8.0667 115.4856 59.0131 29.7165 178.5867 136 G 3.8472 7.6572 103.8241 44.8097 0.0000 172.8674 137 N 4.3049 7.6576 120.8208 53.0092 38.8785 172.6913 138 P 4.3912 0.0000 0.0000 64.7369 32.4273 177.3240 139 V 4.1602 7.6099 114.2089 58.7497 30.2741 173.3321 140 P 4.8826 0.0000 0.0000 62.8063 32.6326 177.2417 141 I 3.7898 8.5834 123.3420 62.2076 35.9205 175.3168 142 L 2.8408 7.6732 119.8865 56.9820 41.6735 176.6712 143 I 4.1350 7.4818 124.0250 58.4889 37.6299 173.1456 144 P 4.6847 0.0000 0.0000 63.2695 28.5526 176.9764 145 C 4.3266 7.8422 113.2714 59.8940 29.9438 174.9774 146 H 4.8798 8.0655 117.6502 58.1529 29.0594 177.5150 147 R 3.9471 7.7674 118.5070 58.4268 30.9603 177.2582 148 V 4.1635 7.0629 119.4590 63.1291 32.2100 175.9022 149 V 4.8611 8.8424 119.3652 59.9003 36.3867 173.7280 150 C 4.2058 8.6467 120.4512 60.5389 28.9837 175.7253 151 S 4.2020 8.8951 118.0525 61.5419 62.6985 176.3348 152 S 4.2546 7.2534 110.0980 59.3800 62.5872 173.9242 153 G 4.0285 8.0377 108.9038 45.6541 0.0000 174.4139 154 A 4.0265 7.3530 123.4282 52.1523 19.0899 178.5323 155 V 3.9058 8.8210 126.3426 68.2988 31.4736 176.4468 156 G 3.9739 6.5091 107.8837 45.2401 0.0000 172.5263 157 N 5.1644 8.3719 124.3513 52.2195 41.5662 172.6968 158 Y 4.6653 7.9662 116.6361 57.1117 41.5940 174.5906 159 S 4.2776 8.5807 123.3198 61.8799 63.3331 176.4024 160 G 3.9602 8.2772 107.7499 45.3634 0.0000 170.9214 161 G 4.0873 8.3058 114.3902 45.0245 0.0000 174.6702 162 L 4.0282 8.6756 124.9170 57.9964 42.0059 178.8307 163 A 4.0207 8.1243 120.4987 55.4372 18.2019 179.5844 164 V 3.5413 7.6706 116.3145 65.9222 31.4433 178.1180 165 K 3.6122 7.6338 118.9332 59.5795 31.9814 177.9697 166 E 3.9571 8.1422 118.6143 58.8847 29.0937 178.6821 167 W 4.1622 8.3650 127.6928 60.9493 30.8120 177.9632 168 L 4.7144 8.3959 118.4533 58.0023 40.8941 179.2273 169 L 3.9811 7.9751 117.7885 58.2937 41.9055 179.0879 170 A 3.9155 8.5359 120.4605 55.8396 18.0122 178.9632 171 H 3.0602 8.4871 116.6157 59.1210 29.8344 176.7359 172 E 3.7226 7.7060 118.2293 56.0927 30.7855 177.1880 173 G 3.9765 9.0454 109.3700 46.3190 0.0000 171.8017 174 H 5.0405 7.2621 116.2889 54.8278 33.7361 174.2692 175 R 4.1751 8.2146 118.2827 56.7471 31.0491 175.4108 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 5 C 8.34 4.46 0.00 2.88 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 6 E 8.25 4.15 0.00 2.04 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 2.45 0.00 7 M 8.61 3.68 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 8 K 7.84 4.66 0.00 1.69 1.71 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 R 8.40 4.69 0.00 1.67 1.83 0.00 3.15 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 10 T 8.37 4.52 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 1.29 0.00 0.00 11 T 8.52 4.78 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 12 L 7.91 4.52 0.00 1.86 1.45 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.58 5.18 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.54 4.25 0.00 2.72 3.52 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 0.00 0.00 0.00 0.00 15 P 0.00 4.08 0.00 1.20 1.97 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 16 L 7.24 4.06 0.00 1.42 1.52 0.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.22 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 18 K 8.31 4.75 0.00 1.67 1.71 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.35 7.81 19 L 8.68 5.11 0.00 1.87 1.78 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.95 4.28 0.00 2.09 1.91 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 2.39 2.32 0.00 21 L 8.58 5.18 0.00 1.77 1.69 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.64 4.77 0.00 3.94 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 23 G 7.50 4.70 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 0.00 0.00 0.00 24 C 7.63 4.91 0.00 2.96 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 25 E 8.75 4.18 0.00 1.94 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 2.28 2.29 0.00 26 Q 7.91 4.12 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 27 G 6.91 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 28 L 9.05 4.34 0.00 1.72 1.51 1.03 0.91 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 29 H 9.00 5.17 0.00 3.26 3.37 0.00 5.82 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 30 E 8.23 4.54 0.00 2.12 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 2.23 2.27 0.00 31 I 7.72 4.72 1.86 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 1.28 0.73 0.95 0.00 0.00 32 K 8.86 4.23 0.00 2.08 1.68 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 33 L 8.47 4.62 0.00 1.61 1.66 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.03 4.17 0.00 1.71 1.68 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.62 3.58 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 *56 P 0.00 4.18 0.00 2.26 2.29 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 57 E 7.77 3.83 0.00 2.03 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 2.40 0.00 58 P 0.00 4.20 0.00 2.19 2.08 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 59 L 7.91 3.96 0.00 1.74 1.75 0.98 1.02 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 60 M 7.81 4.42 0.00 2.11 2.14 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 2.64 2.57 0.00 61 Q 8.05 4.10 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 62 C 8.59 4.18 0.00 2.91 3.15 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 0.00 63 T 8.65 3.94 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 64 A 7.87 4.03 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.00 3.97 0.00 3.45 3.29 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 66 L 8.52 4.42 0.00 2.13 2.06 1.08 0.98 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 67 N 8.34 4.42 0.00 2.94 2.92 0.00 0.00 7.01 7.21 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 68 A 7.78 3.52 0.30 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 69 Y 7.60 3.44 0.00 1.43 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.15 4.13 0.00 2.90 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.10 4.86 0.00 3.12 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.00 4.62 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 73 P 0.00 3.86 0.00 1.33 1.62 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 74 E 7.88 3.90 0.00 1.90 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 2.30 2.36 0.00 75 A 7.29 4.60 1.28 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 0.00 0.00 76 I 7.19 3.54 1.34 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.71 0.72 0.00 0.00 77 E 8.03 4.30 0.00 2.04 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 2.38 2.37 0.00 78 E 7.90 4.22 0.00 2.35 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 2.33 2.30 0.00 79 F 7.87 4.72 0.00 3.09 3.14 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 0.00 0.00 0.00 80 P 0.00 4.43 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 81 V 8.19 3.69 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 0.41 0.00 0.00 0.91 0.00 0.00 82 P 0.00 4.45 0.00 2.12 2.00 0.00 3.44 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 1.72 1.77 0.00 83 A 8.20 4.09 1.28 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 0.00 0.00 84 L 8.25 4.39 0.00 0.94 0.37 -0.30 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.62 4.69 0.00 3.42 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.63 4.60 0.00 3.21 3.47 0.00 5.76 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 87 P 0.00 4.19 0.00 1.98 2.03 0.00 2.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 88 V 7.77 3.29 1.91 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 -0.53 0.00 0.00 0.67 0.00 0.00 89 F 8.04 4.73 0.00 3.30 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.18 4.17 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 91 Q 7.29 4.32 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 92 E 8.43 4.46 0.00 1.86 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 2.15 2.29 0.00 93 S 8.02 4.62 0.00 3.83 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 94 F 8.96 4.42 0.00 3.07 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 95 T 8.14 3.56 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 1.07 0.00 0.00 96 R 7.97 3.89 0.00 1.93 2.08 0.00 3.35 0.00 0.00 3.53 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 97 Q 8.20 4.07 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 98 V 7.39 3.70 1.83 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 0.58 0.00 0.00 -0.21 0.00 0.00 99 L 7.80 4.09 0.00 2.09 1.85 0.72 0.71 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 0.00 100 W 8.72 3.75 0.00 3.71 3.21 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 0.00 101 K 9.65 4.19 0.00 2.20 1.81 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.53 7.81 102 L 7.88 4.01 0.00 2.06 1.59 0.80 0.22 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 0.00 103 L 7.21 4.52 0.00 1.73 1.55 0.74 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.80 4.40 0.00 1.79 1.91 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.63 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.41 7.81 105 V 7.64 4.24 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 0.79 0.00 0.00 1.01 0.00 0.00 106 V 6.91 4.22 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 0.84 0.00 0.00 0.92 0.00 0.00 107 K 8.80 4.39 0.00 1.94 1.82 0.00 1.88 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.50 7.81 108 F 8.68 4.25 0.00 2.91 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 0.00 109 G 9.05 3.86 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 0.00 0.00 0.00 110 E 7.04 4.06 0.00 2.11 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 2.26 0.00 111 V 7.93 4.72 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 1.02 0.00 0.00 112 I 8.63 4.70 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 1.11 1.19 0.88 0.00 0.00 113 S 8.62 5.44 0.00 4.02 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 0.00 114 Y 9.42 4.01 0.00 3.00 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 0.00 115 Q 8.13 3.99 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 116 Q 8.33 4.05 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 117 L 8.17 3.94 0.00 1.73 1.81 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.82 4.31 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.04 4.11 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 0.00 120 L 7.42 4.01 0.00 1.84 1.80 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.12 4.55 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 9.05 3.84 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 0.00 0.00 0.00 123 N 9.34 4.17 0.00 2.51 2.52 0.00 0.00 6.91 7.69 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 0.00 124 P 0.00 4.51 0.00 2.28 2.31 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 125 K 7.99 4.45 0.00 1.88 1.86 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.37 7.81 126 A 7.35 4.66 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 0.00 127 A 7.98 4.44 1.45 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 0.00 0.00 128 R 8.18 3.84 0.00 1.91 2.00 0.00 3.18 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 129 A 8.11 4.20 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.49 3.64 2.39 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 0.95 0.00 0.00 1.23 0.00 0.00 131 G 8.15 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 0.00 0.00 0.00 132 G 8.24 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.01 3.93 1.21 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 0.00 0.00 0.00 134 M 7.92 4.05 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.90 0.00 135 R 8.07 3.95 0.00 1.92 2.04 0.00 3.07 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 136 G 7.66 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 0.00 0.00 0.00 137 N 7.66 4.30 0.00 2.58 2.74 0.00 0.00 7.16 8.27 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 0.00 138 P 0.00 4.39 0.00 2.27 1.89 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.78 0.00 139 V 7.61 4.16 1.91 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 0.67 0.00 0.00 0.89 0.00 0.00 140 P 0.00 4.88 0.00 2.34 2.05 0.00 3.62 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 141 I 8.58 3.79 1.94 0.00 0.00 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 1.47 0.58 0.75 0.00 0.00 142 L 7.67 2.84 0.00 1.02 1.46 -0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.48 4.14 1.96 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 1.16 0.72 0.84 0.00 0.00 144 P 0.00 4.68 0.00 2.02 2.13 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 145 C 7.84 4.33 0.00 2.93 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 0.00 146 H 8.07 4.88 0.00 3.50 4.09 0.00 5.27 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.77 3.95 0.00 1.73 2.22 0.00 3.64 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 148 V 7.06 4.16 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 -0.27 0.00 0.00 0.71 0.00 0.00 149 V 8.84 4.86 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 0.75 0.00 0.00 1.08 0.00 0.00 150 C 8.65 4.21 0.00 3.23 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 0.00 151 S 8.90 4.20 0.00 3.89 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 0.00 152 S 7.25 4.25 0.00 4.04 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 0.00 153 G 8.04 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 0.00 0.00 0.00 154 A 7.35 4.03 1.24 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 0.00 0.00 0.00 155 V 8.82 3.91 2.12 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 0.88 0.00 0.00 0.94 0.00 0.00 156 G 6.51 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 0.00 0.00 0.00 157 N 8.37 5.16 0.00 2.79 2.86 0.00 0.00 6.48 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 0.00 158 Y 7.97 4.67 0.00 2.92 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 0.00 159 S 8.58 4.28 0.00 3.80 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 0.00 160 G 8.28 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 0.00 161 G 8.31 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 0.00 0.00 0.00 162 L 8.68 4.03 0.00 1.79 1.74 1.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.12 4.02 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 0.00 164 V 7.67 3.54 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 0.87 0.00 0.00 1.02 0.00 0.00 165 K 7.63 3.61 0.00 1.66 1.89 0.00 2.25 0.00 0.00 2.13 0.00 0.00 3.15 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.58 1.64 7.81 166 E 8.14 3.96 0.00 2.33 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 0.00 2.58 2.50 0.00 167 W 8.36 4.16 0.00 3.45 3.24 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 0.00 168 L 8.40 4.71 0.00 1.91 1.62 0.90 0.92 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 0.00 169 L 7.98 3.98 0.00 1.80 1.84 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.54 3.92 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 0.00 171 H 8.49 3.06 0.00 1.40 2.94 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.71 3.72 0.00 1.83 1.28 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 2.39 2.62 0.00 173 G 9.05 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 0.00 0.00 0.00 174 H 7.26 5.04 0.00 3.04 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.21 4.18 0.00 1.71 1.73 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.