NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5914 8.1627 120.6254 55.7483 34.3796 173.4411 2 H 5.2437 9.4483 126.3318 54.2001 31.8822 168.2197 3 V 4.6977 8.9825 119.2365 59.4154 35.8603 174.1573 4 V 4.7567 8.3028 122.5595 61.3891 33.9158 173.7720 5 Y 5.4074 9.3945 129.9630 54.7867 39.8701 172.7175 6 P 4.8479 0.0000 0.0000 61.3867 33.5538 175.2177 7 G 3.0603 7.6076 108.8107 46.3092 0.0000 173.6134 8 S 3.8852 7.9774 113.7057 58.2826 64.6659 174.4434 9 F 3.7455 6.9317 118.4606 58.8767 36.0766 175.3172 10 D 5.0992 7.5951 119.3261 51.6031 41.0797 172.2850 11 P 5.3165 0.0000 0.0000 59.2209 34.1961 175.5469 12 L 4.1587 8.2567 120.4918 55.4608 42.4117 176.5923 13 T 4.6135 8.5207 115.6242 59.8238 72.7318 174.9384 14 N 4.1855 8.6389 118.0429 55.7378 38.2272 178.1929 15 G 3.5741 7.6153 107.3208 48.0151 0.0000 175.5295 16 H 4.6053 7.9734 119.8906 58.1013 28.8183 177.4616 17 L 3.9241 8.0851 122.1234 58.1195 41.8659 178.4426 18 D 4.3369 8.3482 118.2148 57.4589 41.1304 178.4885 19 V 3.5571 7.7139 118.3453 65.9613 31.3787 178.0330 20 I 3.4989 7.8134 119.6953 64.4371 37.0451 178.4445 21 Q 3.9621 8.3827 119.2132 58.9795 28.6211 179.1001 22 R 3.9069 8.1243 118.9517 59.1290 30.0173 178.9617 23 A 4.1620 8.2603 120.8964 55.1420 18.1378 179.5604 24 S 4.0548 8.1439 111.2118 61.7343 62.5235 176.4139 25 R 4.0483 7.6825 119.2319 58.6611 29.8469 178.5966 26 L 3.8625 7.3657 117.8808 55.7579 42.0765 177.1590 27 F 5.0386 7.1348 115.6067 55.4393 41.2408 175.7257 28 E 4.2421 8.8989 122.4662 59.1781 29.9817 177.5502 29 K 4.8272 8.3739 119.0685 54.7627 36.3979 175.3118 30 V 4.9185 8.9183 125.9635 61.4677 34.8843 174.0005 31 T 5.0970 9.0369 124.6812 61.8115 71.4071 173.3092 32 V 4.5037 9.0996 127.7777 62.0618 33.1893 174.4497 33 A 4.8437 8.8578 131.0270 50.4843 20.7090 175.6726 34 V 4.5365 8.8239 124.3087 61.5812 32.9717 175.0995 35 L 3.6358 8.4783 131.8745 54.7895 42.4405 175.8770 36 E 4.4358 8.3409 124.1530 56.2820 31.8835 172.6687 37 N 4.2871 9.3929 119.9591 54.2078 39.9057 176.6816 *43 Q 3.8630 8.9895 129.0650 55.4532 29.5181 176.8576 44 Y 4.7792 7.8711 121.4051 56.1965 39.2442 176.2504 45 L 3.9617 9.5365 125.6183 57.4812 42.3932 177.4139 46 F 5.0192 8.5473 116.3716 55.4926 40.9808 176.4161 47 S 4.4759 9.2370 119.5552 57.9201 64.9412 175.3668 48 A 3.9474 8.5190 124.0123 55.4687 17.9913 179.9036 49 E 3.9108 8.1024 116.5014 59.6270 29.6464 179.2920 50 E 3.9815 8.2866 118.6745 59.4485 29.6319 179.6554 51 R 3.8084 8.4365 118.6463 58.9917 30.0055 178.8911 52 L 3.8925 8.1661 120.1423 58.0007 42.1095 178.8154 53 A 3.9505 8.1696 120.8906 55.1667 18.1982 179.6450 54 I 3.5523 7.6775 118.2288 64.5934 37.1710 178.7602 55 I 3.5792 7.5219 120.3117 64.4112 36.6682 178.7379 56 R 3.9149 7.9930 118.1974 59.0745 29.8607 178.5329 57 E 4.0309 8.2322 118.9435 59.2924 29.5239 178.7872 58 A 4.0806 8.1799 119.7764 54.1430 18.5685 178.6035 59 T 4.3879 7.6948 106.5197 61.5043 68.9755 176.0504 60 A 3.9440 7.6216 126.2151 55.7818 18.4312 178.9082 61 H 4.3573 8.3169 108.9475 56.7186 29.1761 175.1389 62 L 4.3420 7.7384 121.9061 52.8471 41.3796 176.9711 63 A 4.0085 8.6132 128.2311 54.4669 18.6839 177.4443 64 N 4.9376 8.1037 112.1235 52.6308 38.8910 174.1936 65 V 4.8249 7.5213 119.6402 61.8598 33.3118 174.7081 66 E 4.9565 9.3265 126.6542 54.6846 33.3898 174.6059 67 A 5.2734 8.3008 120.6889 51.0540 22.4715 175.2878 68 A 4.7344 8.9224 120.6243 51.2652 23.2044 175.9530 69 T 4.9465 8.4843 110.0941 61.0954 70.9299 173.8422 70 F 5.1819 8.5985 116.4672 55.7549 41.5113 173.1383 71 S 4.5538 8.5939 113.9086 57.5797 66.0976 175.2959 72 G 3.9222 8.6969 106.5802 45.2860 0.0000 172.7896 73 L 4.3617 8.3799 120.3943 54.1252 42.7977 177.5043 74 L 3.6436 8.8852 124.8308 58.4618 42.0225 179.6830 75 V 3.7198 7.8846 111.6480 64.5682 31.4540 178.1243 76 D 4.4104 8.0526 118.4180 56.9834 40.6243 178.5607 77 F 4.0560 8.0240 120.9447 61.1311 39.5235 177.0457 78 V 3.4494 8.0609 118.1883 66.1494 31.3761 178.0174 79 R 3.9963 8.0844 118.3069 59.3033 29.6893 178.3017 80 R 3.8059 7.6767 117.6135 59.2780 30.1845 178.1050 81 V 3.9085 7.2937 108.6173 60.1649 32.1288 175.9672 82 G 3.7684 7.6164 106.2794 46.4746 0.0000 174.1148 83 A 4.2836 7.6517 120.9875 51.2799 19.8554 178.2196 84 Q 4.3477 8.5639 118.0888 57.0075 30.0027 175.5745 85 A 4.3495 7.3367 118.6627 51.2836 22.8330 174.7681 86 I 4.7234 8.2400 120.2154 59.8886 39.3506 175.6971 87 V 4.8063 8.7354 118.9756 59.5751 34.9971 174.9423 88 K 4.9227 8.8671 122.7088 54.8140 36.6974 175.5078 89 G 4.5531 9.1313 109.3008 45.0449 0.0000 172.9355 90 L 5.1785 9.0937 122.2147 52.7607 45.3786 175.8779 91 R 5.0593 8.8278 120.2724 53.9978 33.9675 176.5485 92 A 4.0431 8.8093 124.3194 54.1340 18.5614 178.3934 93 V 4.2253 7.3757 113.6445 63.2404 33.3825 176.0029 94 S 4.2280 7.6225 114.8880 58.7817 63.6097 175.4380 95 D 4.7036 8.5355 122.2719 52.9649 38.8837 175.7879 96 Y 4.2050 8.3562 125.2212 60.5788 38.9403 177.1593 97 E 3.8089 8.3526 118.4963 59.7013 29.6026 178.7005 98 Y 4.2535 8.9694 119.6330 60.8459 38.8285 177.9214 99 E 3.9013 8.2161 119.5224 59.2976 29.5146 179.3334 100 L 3.8556 7.7585 119.0788 57.6047 41.5603 179.2761 101 Q 3.9127 8.1315 119.5574 59.6243 29.0213 178.3748 102 M 3.9387 7.9451 119.4156 58.1469 32.0311 178.6202 103 A 3.9617 8.1949 121.0910 55.4489 18.5251 179.2260 104 H 4.1123 8.4259 116.8031 59.3521 29.9110 177.5197 105 L 4.0814 8.1712 120.9542 57.9596 41.4910 179.3072 106 N 4.3569 8.6021 116.8391 56.1162 38.5106 177.1764 107 R 4.1925 7.8708 120.4054 57.7835 29.8956 178.0999 108 Q 4.1374 7.2116 115.4919 58.4103 29.3843 177.5103 109 L 4.3168 7.9879 119.0210 56.4429 42.8950 176.9950 110 Y 4.4432 7.8103 121.9085 54.0553 38.1532 170.3640 111 P 4.4234 0.0000 0.0000 63.5477 31.4112 176.8150 112 G 3.8666 8.6348 111.8831 45.0378 0.0000 172.7774 113 L 3.6805 8.1707 123.5398 54.9000 42.2794 175.6248 114 E 4.4538 8.3668 125.5925 55.7617 31.6747 175.1727 115 T 4.7665 8.2347 118.5087 61.7146 71.1506 173.4205 116 L 4.6445 8.8640 126.4720 52.9545 44.2562 175.3151 117 F 5.3471 8.8497 122.1945 56.0665 40.8473 175.1649 118 I 4.6409 8.8495 124.0863 59.3418 40.2756 174.3916 119 L 4.8288 8.5152 127.9464 54.1618 42.5736 176.3437 120 A 4.4983 8.6663 128.3055 51.3536 19.5056 177.0200 121 A 4.0187 9.3432 123.0332 52.6950 19.3409 179.2970 122 T 4.1140 8.9216 118.1898 65.9891 68.6666 176.8546 123 R 3.8513 7.7531 115.8942 58.3891 29.6435 176.6799 124 Y 4.9508 7.5763 115.7380 57.8422 38.5749 177.6096 125 S 3.9830 7.9913 119.7902 61.0199 62.8803 175.9948 126 F 4.9929 7.9868 115.9486 56.9893 39.2623 174.8520 127 V 4.3160 7.7226 121.5943 61.8101 32.5269 176.0203 128 S 4.8011 8.2615 120.4682 55.8285 67.4434 175.1564 129 S 4.2205 8.7471 119.4792 62.1857 62.6685 177.1022 130 T 3.9158 7.9561 117.8091 67.1674 68.2375 176.4464 131 M 4.1751 8.0283 119.9932 58.1185 31.8320 179.0187 132 V 3.6271 7.9457 118.6009 66.0254 31.7147 178.2985 133 K 3.9897 8.2647 118.2541 59.3249 31.9330 178.9976 134 E 3.8388 8.2604 119.5965 59.3239 29.5179 178.9989 135 I 3.8570 8.0543 119.7175 64.4588 37.2363 178.3645 136 A 4.0011 8.3416 121.9148 55.0704 17.9381 179.5614 137 R 3.7591 7.8859 116.6023 59.0449 30.0064 176.7867 138 Y 4.6651 7.1166 113.4177 57.7185 37.9167 176.3272 139 G 3.9493 8.3046 107.3242 45.6735 0.0000 174.7531 140 G 3.7118 8.1310 108.4608 44.8719 0.0000 173.7102 141 D 4.5239 8.5671 121.3520 53.9290 41.0805 176.1713 142 V 4.4223 8.2571 119.2940 61.0160 32.2403 177.8871 143 S 4.0938 8.5327 117.6110 61.1367 62.5840 175.4999 144 K 4.3741 8.0146 117.3480 56.7148 32.4613 176.8310 145 L 4.5961 8.1068 118.9795 54.8795 42.8834 176.4820 146 V 4.7614 7.2937 110.0911 57.7435 35.7858 173.7920 147 P 4.4963 0.0000 0.0000 61.8805 33.3576 175.4004 148 P 4.2057 0.0000 0.0000 66.0008 31.2700 178.6606 149 A 4.0420 7.9302 118.7596 55.5869 18.2177 179.7226 150 T 3.7299 7.7223 113.7131 66.3811 68.6123 176.6442 151 L 3.9503 7.9694 122.3205 58.2979 42.1362 179.2954 152 R 3.9186 8.2105 117.8133 59.2600 29.9131 178.9521 153 A 4.0938 7.9426 120.3609 55.0875 18.2410 179.7446 154 L 4.2230 8.3505 117.8243 58.0081 41.6988 179.8645 155 K 4.0116 8.1888 118.3004 59.2979 31.5288 179.3860 156 A 3.9834 8.0914 121.1223 54.9015 18.1454 179.6448 157 K 3.8616 8.2121 117.6617 59.6387 32.2788 177.8555 158 L 4.1458 8.2506 115.7714 54.3075 42.1872 176.5815 159 G 3.9193 7.4759 106.3069 47.2022 0.0000 174.0142 160 Q 4.2359 8.6554 121.7960 55.8103 29.1570 176.2397 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 1 M 8.16 4.59 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 2 H 9.45 5.24 0.00 3.19 3.22 0.00 5.60 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 3 V 8.98 4.70 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 -0.40 0.00 0.00 0.67 0.00 0.00 4 V 8.30 4.76 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 1.12 0.00 0.00 0.93 0.00 0.00 5 Y 9.39 5.41 0.00 3.01 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 6 P 0.00 4.85 0.00 2.05 1.86 0.00 4.11 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 7 G 7.61 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 0.00 0.00 0.00 8 S 7.98 3.89 0.00 3.57 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 9 F 6.93 3.75 0.00 3.09 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 10 D 7.60 5.10 0.00 2.52 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 11 P 0.00 5.32 0.00 2.04 1.84 0.00 3.57 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 12 L 8.26 4.16 0.00 1.52 1.56 0.69 0.76 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 13 T 8.52 4.61 4.33 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 1.30 0.00 0.00 14 N 8.64 4.19 0.00 1.84 1.42 0.00 0.00 7.34 8.22 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 15 G 7.62 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.97 4.61 0.00 3.45 3.63 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.09 3.92 0.00 1.72 1.60 0.93 1.01 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 18 D 8.35 4.34 0.00 3.06 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 19 V 7.71 3.56 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 0.64 0.00 0.00 1.01 0.00 0.00 20 I 7.81 3.50 1.98 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 1.55 0.62 0.87 0.00 0.00 21 Q 8.38 3.96 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 22 R 8.12 3.91 0.00 1.98 1.95 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 23 A 8.26 4.16 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 24 S 8.14 4.05 0.00 3.91 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 25 R 7.68 4.05 0.00 1.93 1.91 0.00 3.18 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 26 L 7.37 3.86 0.00 0.78 0.37 0.70 0.40 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 27 F 7.13 5.04 0.00 3.01 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 28 E 8.90 4.24 0.00 2.04 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 2.39 0.00 29 K 8.37 4.83 0.00 1.76 1.48 0.00 1.42 0.00 0.00 1.08 0.00 0.00 2.57 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 1.29 7.81 30 V 8.92 4.92 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 1.04 0.00 0.00 1.02 0.00 0.00 31 T 9.04 5.10 4.43 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 0.00 0.00 1.50 0.00 0.00 32 V 9.10 4.50 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 0.97 0.00 0.00 33 A 8.86 4.84 0.65 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 0.00 0.00 34 V 8.82 4.54 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 0.86 0.00 0.00 0.97 0.00 0.00 35 L 8.48 3.64 0.00 1.40 1.31 0.29 0.86 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 36 E 8.34 4.44 0.00 1.90 1.75 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 2.18 2.15 0.00 37 N 9.39 4.29 0.00 2.73 2.56 0.00 0.00 6.88 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 *43 Q 8.99 3.86 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 44 Y 7.87 4.78 0.00 3.05 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 45 L 9.54 3.96 0.00 1.45 1.74 0.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.55 5.02 0.00 3.14 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 47 S 9.24 4.48 0.00 4.07 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 48 A 8.52 3.95 1.30 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 49 E 8.10 3.91 0.00 2.04 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 2.41 2.41 0.00 50 E 8.29 3.98 0.00 2.33 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 0.00 2.41 2.43 0.00 51 R 8.44 3.81 0.00 1.89 1.93 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 52 L 8.17 3.89 0.00 1.81 1.85 0.93 1.07 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 53 A 8.17 3.95 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 54 I 7.68 3.55 1.86 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.76 0.00 0.00 55 I 7.52 3.58 1.89 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.75 0.00 0.00 56 R 7.99 3.91 0.00 1.74 1.98 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 57 E 8.23 4.03 0.00 2.02 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 2.28 2.30 0.00 58 A 8.18 4.08 1.31 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 0.00 0.00 59 T 7.69 4.39 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 1.20 0.00 0.00 60 A 7.62 3.94 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 61 H 8.32 4.36 0.00 3.29 3.41 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.74 4.34 0.00 1.70 1.58 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.61 4.01 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 64 N 8.10 4.94 0.00 2.92 3.01 0.00 0.00 5.75 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 65 V 7.52 4.82 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 0.78 0.00 0.00 0.91 0.00 0.00 66 E 9.33 4.96 0.00 1.93 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 0.00 2.21 2.21 0.00 67 A 8.30 5.27 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 68 A 8.92 4.73 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 0.00 0.00 0.00 0.00 0.00 69 T 8.48 4.95 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 1.19 0.00 0.00 70 F 8.60 5.18 0.00 3.12 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.55 0.00 3.80 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 0.00 72 G 8.70 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 73 L 8.38 4.36 0.00 1.98 1.67 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.89 3.64 0.00 1.75 1.67 0.43 0.94 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 75 V 7.88 3.72 2.31 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 0.92 0.00 0.00 0.98 0.00 0.00 76 D 8.05 4.41 0.00 2.98 2.76 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 77 F 8.02 4.06 0.00 2.96 2.88 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 78 V 8.06 3.45 2.29 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 0.79 0.00 0.00 0.94 0.00 0.00 79 R 8.08 4.00 0.00 2.05 2.02 0.00 3.02 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 80 R 7.68 3.81 0.00 1.94 1.85 0.00 3.29 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 81 V 7.29 3.91 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 0.02 0.00 0.00 0.59 0.00 0.00 82 G 7.62 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 0.00 0.00 0.00 0.00 83 A 7.65 4.28 0.97 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 84 Q 8.56 4.35 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 85 A 7.34 4.35 1.02 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 0.00 0.00 86 I 8.24 4.72 1.69 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 1.12 0.68 0.80 0.00 0.00 87 V 8.74 4.81 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 0.52 0.00 0.00 0.97 0.00 0.00 88 K 8.87 4.92 0.00 1.59 1.85 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.17 1.48 7.81 89 G 9.13 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.09 5.18 0.00 1.63 1.58 0.81 0.71 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 91 R 8.83 5.06 0.00 1.80 1.82 0.00 3.19 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 92 A 8.81 4.04 1.18 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 0.00 0.00 0.00 93 V 7.38 4.23 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 0.99 0.00 0.00 1.02 0.00 0.00 94 S 7.62 4.23 0.00 4.08 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 95 D 8.54 4.70 0.00 2.79 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 96 Y 8.36 4.21 0.00 3.01 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 97 E 8.35 3.81 0.00 2.31 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 2.46 2.49 0.00 98 Y 8.97 4.25 0.00 3.06 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 99 E 8.22 3.90 0.00 2.08 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 0.00 2.57 2.63 0.00 100 L 7.76 3.86 0.00 1.54 1.50 0.67 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.13 3.91 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 102 M 7.95 3.94 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.25 0.00 103 A 8.19 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.43 4.11 0.00 3.20 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.17 4.08 0.00 1.85 1.71 0.95 0.64 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 0.00 106 N 8.60 4.36 0.00 2.72 2.83 0.00 0.00 6.69 7.31 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 0.00 107 R 7.87 4.19 0.00 2.02 1.99 0.00 3.23 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 108 Q 7.21 4.14 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 109 L 7.99 4.32 0.00 1.66 1.76 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.81 4.44 0.00 3.00 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 0.00 111 P 0.00 4.42 0.00 2.15 2.06 0.00 3.80 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 2.05 2.16 0.00 112 G 8.63 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 0.00 113 L 8.17 3.68 0.00 0.82 1.40 0.41 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.37 4.45 0.00 1.82 1.76 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 2.46 2.22 0.00 115 T 8.23 4.77 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 0.44 0.00 0.00 116 L 8.86 4.64 0.00 1.43 1.58 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.85 5.35 0.00 2.99 3.05 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 0.00 118 I 8.85 4.64 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.93 0.00 0.00 119 L 8.52 4.83 0.00 1.67 1.60 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.67 4.50 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 0.00 121 A 9.34 4.02 1.30 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 0.00 122 T 8.92 4.11 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 1.17 0.00 0.00 123 R 7.75 3.85 0.00 1.54 1.82 0.00 2.48 0.00 0.00 2.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 124 Y 7.58 4.95 0.00 3.09 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 0.00 125 S 7.99 3.98 0.00 3.18 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 0.00 126 F 7.99 4.99 0.00 3.10 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 0.00 127 V 7.72 4.32 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 0.86 0.00 0.00 1.14 0.00 0.00 128 S 8.26 4.80 0.00 4.08 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 0.00 129 S 8.75 4.22 0.00 3.98 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 0.00 130 T 7.96 3.92 4.29 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 1.24 0.00 0.00 131 M 8.03 4.18 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 132 V 7.95 3.63 2.31 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 1.18 0.00 0.00 1.03 0.00 0.00 133 K 8.26 3.99 0.00 2.02 1.83 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.69 7.81 134 E 8.26 3.84 0.00 2.08 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 0.00 2.49 2.47 0.00 135 I 8.05 3.86 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.97 0.00 0.00 136 A 8.34 4.00 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.89 3.76 0.00 1.79 1.53 0.00 2.91 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.44 0.00 138 Y 7.12 4.67 0.00 3.19 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 0.00 139 G 8.30 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 0.00 140 G 8.13 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 0.00 141 D 8.57 4.52 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.26 4.42 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 0.80 0.00 0.00 0.97 0.00 0.00 143 S 8.53 4.09 0.00 3.99 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 0.00 144 K 8.01 4.37 0.00 1.84 1.99 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.44 7.81 145 L 8.11 4.60 0.00 1.80 1.73 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.29 4.76 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 0.78 0.00 0.00 1.00 0.00 0.00 147 P 0.00 4.50 0.00 2.22 2.12 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 148 P 0.00 4.21 0.00 2.15 2.15 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 149 A 7.93 4.04 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 0.00 150 T 7.72 3.73 4.35 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 1.22 0.00 0.00 151 L 7.97 3.95 0.00 1.77 1.80 0.94 0.77 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 0.00 152 R 8.21 3.92 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 153 A 7.94 4.09 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 0.00 154 L 8.35 4.22 0.00 1.94 1.82 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.19 4.01 0.00 1.99 2.05 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.67 7.81 156 A 8.09 3.98 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 0.00 157 K 8.21 3.86 0.00 1.81 1.92 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.81 1.24 7.81 158 L 8.25 4.15 0.00 1.70 1.66 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 159 G 7.48 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 0.00 160 Q 8.66 4.24 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.