NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.8463 8.4249 118.3643 52.8523 39.1171 172.0949 5 L 4.6086 7.6733 118.1096 53.0882 43.2816 175.5492 6 D 4.8945 8.6653 123.8643 53.9137 42.4091 175.4442 7 I 4.8653 8.3583 113.4035 58.8072 40.6590 175.4630 8 S 4.8937 8.6661 117.0169 55.9743 66.5740 173.5232 9 P 4.2988 0.0000 0.0000 66.1823 30.8844 179.0887 10 S 4.1720 8.0946 112.0766 61.6629 62.8022 176.2452 11 E 4.2126 8.1081 120.3332 59.1677 29.3639 178.9835 12 V 4.5495 7.7126 110.0980 61.2714 32.6391 176.4089 13 N 4.6889 8.0450 117.5060 52.4197 38.9430 175.5307 14 G 3.9505 7.8016 110.4385 44.0554 0.0000 171.4537 15 D 5.2150 7.9918 119.8594 54.1027 41.6430 176.3277 16 W 5.4903 8.8313 120.7633 55.3534 33.8248 174.2556 17 R 5.3677 9.2294 117.5647 53.8034 33.0603 173.9628 18 T 4.5985 8.5333 116.4777 62.9431 69.2735 174.6084 19 L 4.2493 9.1131 127.1328 56.7486 43.3120 176.3766 20 Y 5.1928 7.5958 114.3492 56.3744 42.8152 174.1585 21 I 5.1255 8.8626 122.4286 59.5117 41.5161 174.8029 22 V 4.8350 8.9166 125.3185 60.0518 34.5178 174.3726 23 A 5.6102 8.5691 123.0894 50.7144 21.9153 175.9345 24 D 4.3991 8.8912 117.9462 54.3881 40.3888 176.3443 25 N 4.8502 7.7795 118.3154 51.1652 39.1839 175.2320 26 V 3.7098 8.2136 124.6879 64.1587 31.9069 178.6566 27 E 3.9709 8.1715 117.5712 58.8284 29.5771 178.2592 28 K 4.1746 8.2664 119.0968 58.2662 32.2610 178.5291 29 V 4.1741 7.4220 108.5624 60.7262 33.6382 175.3286 30 A 4.5209 8.0046 123.1257 50.3282 19.0589 175.9528 31 E 3.9627 8.6631 119.3340 58.3066 29.6494 177.1241 32 G 3.9700 9.0528 112.2885 45.9585 0.0000 173.8874 33 G 3.8407 8.1687 109.7177 44.8242 0.0000 175.6805 34 S 4.2321 8.6760 116.3867 60.4560 63.2615 175.0519 35 L 4.5573 7.9425 118.9861 54.4670 41.5958 177.5857 36 R 4.0075 7.7528 121.5123 55.0436 28.2387 173.2582 37 A 4.7739 7.6433 121.6833 50.2235 20.8749 176.4529 38 Y 4.4261 9.4066 122.3116 56.4240 38.4708 175.4589 39 F 4.6875 9.5885 124.3449 58.2291 40.1035 175.6381 40 Q 4.5504 9.3268 121.8087 57.8841 31.7866 174.6630 41 H 5.4149 7.8614 115.7002 55.4949 33.5584 172.1628 42 M 5.3739 8.9925 122.7382 53.7822 36.3846 174.2008 43 E 5.3376 9.1423 122.5848 55.2580 33.6716 171.4912 44 C 5.5298 9.3524 121.0208 53.0260 44.0273 172.7162 45 G 4.2782 7.7530 106.9904 45.1465 0.0000 171.0122 46 D 4.3819 8.1903 118.0725 54.5522 40.2368 177.3183 47 E 3.7711 9.3277 122.3979 56.0877 27.5762 174.6048 48 C 4.3664 8.8886 118.1695 57.5589 42.1503 174.1322 49 Q 3.8603 8.1222 120.5786 57.9168 29.0985 174.1616 50 E 4.9798 8.1493 118.9495 54.3616 32.3880 174.5424 51 L 4.8879 9.0938 131.1940 53.3209 44.1104 175.1527 52 K 4.8641 9.0790 127.7553 55.4960 33.8426 175.9772 53 I 4.6730 8.6606 126.3290 59.4460 40.0523 174.5107 54 I 4.9297 8.6261 128.5863 59.6122 39.3774 174.8668 55 F 5.4033 8.6477 120.6171 55.7481 41.3935 172.8979 56 N 5.5451 9.6274 117.2061 51.8297 41.6020 174.3322 57 V 4.8230 8.6806 113.8439 59.6614 35.7304 174.8006 58 K 4.8295 8.7666 122.6062 55.3331 33.5430 176.1606 59 L 4.6805 8.6184 126.1283 54.3228 45.5589 175.5283 60 D 4.0892 8.4225 126.9880 56.0793 39.9278 174.7251 61 S 4.5425 8.7726 121.9764 59.1054 63.3604 173.2433 62 E 4.5679 8.0087 121.2833 55.0853 31.6743 173.7118 63 C 4.8502 8.4331 117.6085 55.9393 42.8424 173.2505 64 Q 4.4972 9.0314 126.3972 54.6981 30.3228 174.3242 65 T 4.8348 8.2074 123.5694 62.4379 69.7427 174.1728 66 H 4.7849 8.9533 122.2476 54.0831 32.8964 172.6812 67 T 4.8772 8.1624 116.0928 61.8790 71.8357 173.7637 68 V 4.5464 8.6099 118.0914 59.4661 35.7445 174.8711 69 V 4.6262 8.4301 123.2978 61.1602 33.1546 175.1052 70 G 4.0851 9.3166 116.9483 45.9055 0.0000 171.7470 71 Q 5.1148 8.7767 123.7369 53.8532 30.5834 175.2422 72 K 3.7075 8.7599 126.8194 56.4637 33.1474 175.4019 73 H 4.9583 8.3413 122.3124 53.4731 32.6141 174.3757 74 E 3.8570 8.9107 119.9218 59.4234 29.4283 177.1763 75 D 4.4670 7.9446 115.3072 53.8112 39.6516 176.9021 76 G 3.9206 8.0905 109.4788 45.2724 0.0000 174.3104 77 R 4.4088 7.9855 119.1968 56.3362 31.5191 175.2346 78 Y 4.8157 8.7924 120.6016 56.6847 40.2426 174.7894 79 T 5.4870 8.1912 112.7179 59.9437 71.8892 173.0542 80 T 4.8734 7.9496 115.6364 61.2357 70.9726 171.8603 81 D 5.0343 8.6942 127.0143 53.7375 42.0296 175.4728 82 Y 4.4277 9.1720 122.5758 58.3372 42.9826 173.3024 83 S 3.3336 8.6632 124.3806 59.1442 61.5719 169.8681 84 G 4.1919 7.8429 107.3171 44.2475 0.0000 171.0531 85 R 4.8578 8.6962 121.0213 54.5954 32.8935 175.9385 86 N 5.6147 8.9238 122.4038 51.7060 42.8777 173.2449 87 Y 5.1643 9.2012 119.5696 56.3893 41.2965 174.4278 88 F 5.8595 9.2526 120.0687 55.5876 41.8362 173.6236 89 H 5.3830 9.5306 115.1014 54.9713 32.7923 171.9266 90 V 4.3131 8.5328 118.5109 62.0391 32.0645 176.0492 91 L 4.3372 8.8900 128.4567 56.3696 42.9825 177.0616 92 K 4.6572 7.6412 118.2112 54.9935 35.6106 174.8296 93 K 5.0620 8.2789 124.4767 55.8690 34.3781 174.9168 94 T 4.7440 8.8519 112.3306 59.5409 71.9793 174.2896 95 D 4.6749 8.7739 120.1334 55.7584 39.5610 176.4847 96 D 4.9102 7.8368 116.8485 52.7014 41.1864 175.4969 97 I 5.4021 8.1210 120.1823 60.2979 42.0603 173.9465 98 I 4.7608 9.0994 127.0731 59.4692 40.7233 174.4235 99 F 5.1505 8.9176 126.3296 56.5305 40.2117 174.9074 100 F 5.2540 9.0966 123.6219 56.2153 41.4253 174.3790 101 H 5.2648 9.1020 122.4321 54.4557 32.0862 172.6146 102 N 5.5442 9.0043 123.8794 51.7986 42.6787 172.7930 103 V 4.7395 8.9382 125.7228 61.3150 33.9195 173.5070 104 N 5.4534 9.2235 127.5879 51.9427 41.2512 173.4298 105 V 4.9215 8.9913 127.0992 61.0836 33.5475 175.1006 106 D 5.2365 8.8949 128.2461 51.7485 40.3910 177.2611 107 E 3.9106 8.6596 118.6367 59.0970 29.3508 178.4363 108 S 4.3690 8.3909 111.5076 58.3382 63.5373 175.0707 109 G 3.9484 8.3641 110.4678 44.9908 0.0000 173.6833 110 K 4.0867 7.8446 122.0844 56.0264 32.7788 174.7651 111 E 5.1061 8.6507 127.0867 55.0778 31.2681 174.8700 112 T 4.8387 9.0562 123.3063 61.8907 72.4264 172.5063 113 N 5.2440 9.5242 124.1806 52.0779 40.6468 174.4141 114 V 4.8493 8.7125 122.7417 61.1541 35.6460 173.8735 115 I 4.8230 8.6681 127.9283 59.3697 39.8401 174.1067 116 L 4.8901 8.7059 129.1591 53.0808 44.9867 175.0066 117 V 4.6362 8.7435 126.6975 61.4884 33.0185 174.1398 118 A 5.1717 9.1281 130.9033 50.5180 21.4344 175.6981 119 G 4.6157 9.7856 107.3560 44.6283 0.0000 172.8808 120 K 4.7854 8.8366 119.4584 55.5857 32.9328 175.9928 121 R 4.6762 7.6530 116.1071 54.6885 32.5244 174.4195 122 E 4.3360 8.6669 115.0315 57.1259 30.3733 175.9895 123 D 5.0228 7.7024 117.5121 51.2473 42.5348 175.0547 124 L 4.5435 8.5286 120.6409 54.3071 42.8856 177.1838 125 N 4.7705 8.9974 120.4116 51.8363 40.0500 176.3434 126 K 3.9286 8.4485 119.9749 59.5025 32.1521 178.2290 127 A 3.9948 8.0403 120.6104 55.4816 18.2518 179.5343 128 Q 4.0006 8.8355 116.8021 58.8921 28.7531 179.0482 129 K 3.8319 8.1817 119.7108 59.5569 32.0220 179.4343 130 Q 3.9971 8.1226 118.3805 58.6545 28.5302 178.1169 131 E 3.9545 8.4670 120.6885 59.2348 29.6545 178.5968 132 L 3.8914 8.2952 120.4486 58.3712 42.2100 179.1608 133 R 4.4007 7.9214 119.1707 58.7548 29.9833 179.2734 134 K 4.0417 8.3166 118.3655 59.3606 32.0265 179.4761 135 L 4.1654 8.3830 119.3973 57.6782 41.4806 179.2683 136 A 4.0742 8.1925 120.7745 55.3189 18.3194 179.4205 137 E 3.9190 8.1082 116.7354 59.8274 29.3533 179.5669 138 E 3.9702 8.1944 117.1526 58.9808 29.4779 178.0091 139 Y 4.2772 7.8089 114.2743 56.6664 38.4541 175.0941 140 N 4.2132 8.0020 115.7916 54.6947 36.7146 174.3306 141 I 4.4690 7.8973 118.3583 58.5966 39.5768 174.3762 142 P 4.3770 0.0000 0.0000 62.4704 31.7440 177.3433 143 N 4.4596 8.8134 121.0613 55.6774 38.7186 176.4605 144 E 4.2098 8.0535 114.4327 57.7870 30.0235 176.8623 145 N 4.7043 7.9383 116.6469 53.7445 38.8100 175.2100 146 T 4.2090 7.6912 116.6882 63.8241 69.0874 173.7193 147 Q 4.6382 9.1968 125.5594 54.3394 31.5745 174.0479 148 H 4.5942 8.8884 124.5590 55.1081 30.2798 174.7482 149 L 4.2533 8.4112 126.2990 55.8017 42.5961 179.2199 150 V 3.5485 7.4747 118.7912 65.4981 31.3430 176.1439 151 P 4.3614 0.0000 0.0000 64.6236 31.3104 176.9691 152 T 4.3403 7.5966 106.3585 61.1554 68.8366 174.3616 153 D 4.3688 7.8862 123.1709 53.9188 39.8040 175.6775 154 T 4.4627 7.9074 113.8883 61.4053 69.6088 175.5807 155 C 4.5796 7.7274 118.4516 57.5035 40.5099 173.6895 156 N 4.5910 7.8751 116.2888 53.1690 39.9663 174.6596 157 Q 4.1583 7.9874 120.5971 56.2691 28.9731 175.6871 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 4 N 8.42 4.85 0.00 3.06 3.10 0.00 0.00 5.99 6.93 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 5 L 7.67 4.61 0.00 1.53 1.61 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.67 4.89 0.00 2.59 2.63 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 7 I 8.36 4.87 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.82 0.92 0.00 0.00 8 S 8.67 4.89 0.00 4.10 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 9 P 0.00 4.30 0.00 2.22 2.40 0.00 3.65 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 2.16 2.45 0.00 10 S 8.09 4.17 0.00 3.88 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 11 E 8.11 4.21 0.00 2.21 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 0.00 2.41 2.40 0.00 12 V 7.71 4.55 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 0.82 0.00 0.00 1.07 0.00 0.00 13 N 8.05 4.69 0.00 2.84 2.84 0.00 0.00 7.04 8.84 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 14 G 7.80 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.99 5.22 0.00 2.53 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.83 5.49 0.00 3.33 3.27 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 17 R 9.23 5.37 0.00 2.07 2.08 0.00 3.06 0.00 0.00 3.51 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.48 0.00 18 T 8.53 4.60 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 0.96 0.00 0.00 19 L 9.11 4.25 0.00 1.66 1.62 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.60 5.19 0.00 2.69 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 21 I 8.86 5.13 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.80 0.00 0.00 22 V 8.92 4.84 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 0.66 0.00 0.00 0.94 0.00 0.00 23 A 8.57 5.61 1.17 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 0.00 0.00 0.00 24 D 8.89 4.40 0.00 2.82 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 25 N 7.78 4.85 0.00 2.78 2.97 0.00 0.00 6.90 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 26 V 8.21 3.71 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 0.75 0.00 0.00 0.93 0.00 0.00 27 E 8.17 3.97 0.00 2.10 2.15 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 2.28 2.29 0.00 28 K 8.27 4.17 0.00 1.97 1.90 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.56 7.81 29 V 7.42 4.17 2.02 0.00 0.00 0.00 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 0.91 0.00 0.00 30 A 8.00 4.52 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 31 E 8.66 3.96 0.00 1.97 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 2.34 2.40 0.00 32 G 9.05 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 33 G 8.17 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 34 S 8.68 4.23 0.00 3.96 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 35 L 7.94 4.56 0.00 1.76 1.67 0.98 0.88 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 36 R 7.75 4.01 0.00 1.85 1.99 0.00 3.45 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 37 A 7.64 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.41 4.43 0.00 3.15 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.59 4.69 0.00 2.88 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 40 Q 9.33 4.55 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 41 H 7.86 5.41 0.00 3.26 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.99 5.37 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 43 E 9.14 5.34 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 2.26 2.33 0.00 44 C 9.35 5.53 0.00 3.00 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 45 G 7.75 4.28 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 0.00 46 D 8.19 4.38 0.00 2.75 2.61 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 47 E 9.33 3.77 0.00 2.14 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 0.00 2.22 2.23 0.00 48 C 8.89 4.37 0.00 3.18 3.27 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 49 Q 8.12 3.86 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 50 E 8.15 4.98 0.00 2.08 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 0.00 2.29 2.30 0.00 51 L 9.09 4.89 0.00 1.66 1.33 0.86 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.08 4.86 0.00 1.92 1.71 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.46 7.81 53 I 8.66 4.67 1.55 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.78 -0.06 0.00 0.00 54 I 8.63 4.93 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.88 0.00 0.00 55 F 8.65 5.40 0.00 3.14 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 56 N 9.63 5.55 0.00 2.70 2.77 0.00 0.00 7.17 7.29 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 57 V 8.68 4.82 2.27 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 1.15 0.00 0.00 1.12 0.00 0.00 58 K 8.77 4.83 0.00 1.69 1.73 0.00 1.50 0.00 0.00 1.27 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.21 7.81 59 L 8.62 4.68 0.00 1.70 1.48 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.42 4.09 0.00 2.82 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 0.00 0.00 0.00 61 S 8.77 4.54 0.00 3.95 3.94 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 62 E 8.01 4.57 0.00 2.11 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 2.22 2.38 0.00 63 C 8.43 4.85 0.00 2.81 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 64 Q 9.03 4.50 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.96 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 65 T 8.21 4.83 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 1.09 0.00 0.00 66 H 8.95 4.78 0.00 1.40 2.32 0.00 5.56 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 67 T 8.16 4.88 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 1.19 0.00 0.00 68 V 8.61 4.55 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 0.80 0.00 0.00 0.88 0.00 0.00 69 V 8.43 4.63 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 0.82 0.00 0.00 0.94 0.00 0.00 70 G 9.32 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 71 Q 8.78 5.11 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.26 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 72 K 8.76 3.71 0.00 1.33 1.59 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.08 0.50 7.81 73 H 8.34 4.96 0.00 3.18 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.91 3.86 0.00 1.91 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 2.27 2.28 0.00 75 D 7.94 4.47 0.00 2.78 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 76 G 8.09 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 77 R 7.99 4.41 0.00 2.06 1.92 0.00 3.10 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 78 Y 8.79 4.82 0.00 1.43 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 0.00 0.00 0.00 79 T 8.19 5.49 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 80 T 7.95 4.87 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 81 D 8.69 5.03 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 9.17 4.43 0.00 2.97 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 83 S 8.66 3.33 0.00 3.38 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 0.00 0.00 0.00 0.00 85 R 8.70 4.86 0.00 1.88 1.77 0.00 2.90 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.00 86 N 8.92 5.61 0.00 2.84 2.78 0.00 0.00 6.99 8.75 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 87 Y 9.20 5.16 0.00 3.00 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 88 F 9.25 5.86 0.00 3.13 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 89 H 9.53 5.38 0.00 3.29 3.51 0.00 5.25 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.53 4.31 2.30 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 0.81 0.00 0.00 0.91 0.00 0.00 91 L 8.89 4.34 0.00 1.65 1.72 0.64 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.64 4.66 0.00 1.58 1.18 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.23 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.03 1.13 7.81 93 K 8.28 5.06 0.00 1.69 1.57 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.39 7.81 94 T 8.85 4.74 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 1.12 0.00 0.00 95 D 8.77 4.67 0.00 2.82 2.87 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 96 D 7.84 4.91 0.00 2.80 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 97 I 8.12 5.40 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 1.07 0.00 0.00 98 I 9.10 4.76 1.33 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.66 -0.18 0.00 0.00 99 F 8.92 5.15 0.00 2.83 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 0.00 100 F 9.10 5.25 0.00 2.80 2.81 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 0.00 101 H 9.10 5.26 0.00 2.81 2.88 0.00 5.52 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 0.00 102 N 9.00 5.54 0.00 2.74 2.52 0.00 0.00 6.73 8.38 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 0.00 103 V 8.94 4.74 2.30 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 0.97 0.00 0.00 1.11 0.00 0.00 104 N 9.22 5.45 0.00 3.09 2.68 0.00 0.00 6.59 8.40 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 0.00 105 V 8.99 4.92 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 1.09 0.00 0.00 1.10 0.00 0.00 106 D 8.89 5.24 0.00 2.91 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 0.00 107 E 8.66 3.91 0.00 1.96 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 2.30 2.27 0.00 108 S 8.39 4.37 0.00 3.97 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 0.00 109 G 8.36 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.84 4.09 0.00 1.78 2.02 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.38 7.81 111 E 8.65 5.11 0.00 2.04 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 2.26 2.38 0.00 112 T 9.06 4.84 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 1.25 0.00 0.00 113 N 9.52 5.24 0.00 2.85 2.82 0.00 0.00 6.05 8.41 0.00 0.00 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 V 8.71 4.85 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 0.90 0.00 0.00 115 I 8.67 4.82 1.74 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 0.97 0.56 0.70 0.00 0.00 116 L 8.71 4.89 0.00 1.48 1.31 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.74 4.64 2.20 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 1.10 0.00 0.00 0.34 0.00 0.00 118 A 9.13 5.17 1.15 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 0.00 0.00 119 G 9.79 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 4.79 0.00 1.27 1.49 0.00 1.09 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.50 0.21 7.81 121 R 7.65 4.68 0.00 1.85 1.84 0.00 3.22 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 122 E 8.67 4.34 0.00 2.11 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 0.00 2.25 2.31 0.00 123 D 7.70 5.02 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 0.00 124 L 8.53 4.54 0.00 1.76 1.71 0.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 125 N 9.00 4.77 0.00 3.00 2.99 0.00 0.00 6.77 7.25 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 0.00 126 K 8.45 3.93 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 127 A 8.04 3.99 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 0.00 128 Q 8.84 4.00 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 129 K 8.18 3.83 0.00 1.94 1.74 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.24 1.66 7.81 130 Q 8.12 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 131 E 8.47 3.95 0.00 2.14 2.28 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 2.51 2.39 0.00 132 L 8.30 3.89 0.00 1.54 1.68 0.40 0.85 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 0.00 133 R 7.92 4.40 0.00 2.04 1.94 0.00 3.13 0.00 0.00 3.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 134 K 8.32 4.04 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.64 7.81 135 L 8.38 4.17 0.00 1.97 1.84 1.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.19 4.07 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 0.00 137 E 8.11 3.92 0.00 2.25 2.02 0.00 0.00 0.00 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 2.48 0.00 138 E 8.19 3.97 0.00 2.16 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 2.30 2.54 0.00 139 Y 7.81 4.28 0.00 3.06 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 0.00 140 N 8.00 4.21 0.00 2.92 2.91 0.00 0.00 6.68 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.90 4.47 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.88 0.00 0.00 142 P 0.00 4.38 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 143 N 8.81 4.46 0.00 2.74 2.84 0.00 0.00 6.89 7.86 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 0.00 144 E 8.05 4.21 0.00 2.08 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 2.27 2.27 0.00 145 N 7.94 4.70 0.00 2.93 2.88 0.00 0.00 7.30 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 0.00 146 T 7.69 4.21 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 1.26 0.00 0.00 147 Q 9.20 4.64 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 148 H 8.89 4.59 0.00 3.15 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.41 4.25 0.00 1.62 1.49 0.70 -0.41 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 0.00 150 V 7.47 3.55 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 0.95 0.00 0.00 0.88 0.00 0.00 151 P 0.00 4.36 0.00 2.06 2.08 0.00 3.59 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 152 T 7.60 4.34 4.28 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 1.24 0.00 0.00 153 D 7.89 4.37 0.00 3.05 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 0.00 154 T 7.91 4.46 4.18 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 0.00 0.00 0.00 1.15 0.00 0.00 155 C 7.73 4.58 0.00 2.91 3.12 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 0.00 156 N 7.88 4.59 0.00 2.72 2.87 0.00 0.00 7.13 8.19 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 0.00 157 Q 7.99 4.16 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00