NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2756 8.1593 117.3738 63.5575 69.7971 173.4923 2 S 4.4319 8.3486 120.9175 55.8398 65.1824 173.1499 3 K 4.0014 9.4555 122.3794 59.7279 32.7051 179.7188 4 K 3.8653 8.0893 118.0959 59.6110 31.8221 178.9861 5 K 4.0492 7.7777 117.3513 58.6466 32.1173 177.8647 6 R 4.4159 7.5619 116.0543 56.5120 30.7226 177.7407 7 Q 4.1321 8.0078 119.7438 57.2351 28.4240 176.1726 8 R 4.0335 7.5053 119.2102 58.1883 30.1777 176.1737 9 G 4.1232 9.0341 111.8346 45.7761 0.0000 174.4238 10 S 4.1579 7.9670 112.9735 58.7236 63.3949 174.2636 11 R 4.1523 7.9694 124.9527 57.2789 29.1713 176.5687 12 T 4.3068 7.6260 104.8476 61.2411 69.6251 174.1801 13 H 4.6929 8.3463 118.1123 55.9875 26.8822 175.8140 14 G 3.9389 8.5283 105.2751 45.7468 0.0000 174.8815 15 G 3.8462 8.2215 107.8726 45.3484 0.0000 176.0760 16 G 3.9041 7.8768 106.6789 45.0070 0.0000 173.9514 17 S 4.1944 8.5784 117.1828 58.6859 62.7440 174.9502 18 H 4.4454 8.7776 120.8809 57.2002 28.3986 176.0334 19 K 4.0416 7.5667 118.6391 57.3658 31.7799 177.5801 20 N 4.3159 7.4768 117.4868 55.8323 39.0080 177.0318 21 R 4.3928 7.4470 122.1836 56.3952 28.9433 177.8106 22 R 4.5924 7.4091 123.4071 56.2949 31.3054 179.8670 23 G 4.0651 8.4655 118.2499 45.0540 0.0000 172.7483 24 A 4.3038 8.6859 121.3266 54.3893 18.4244 180.0406 25 G 3.5480 8.0588 104.3464 47.8487 0.0000 174.8436 26 H 4.5645 8.1125 118.2999 57.6640 29.9635 176.2151 27 R 4.5784 7.5643 116.9379 55.3741 31.1123 175.4798 28 G 3.8128 8.3533 106.7419 46.8161 0.0000 174.5712 29 G 4.0767 8.2079 105.6464 44.3558 0.0000 174.7189 30 R 4.1370 8.5368 118.7706 56.7507 31.8065 177.1553 31 G 3.7859 8.1953 110.0397 47.5530 0.0000 173.6209 32 D 4.7305 8.5742 122.0158 54.0084 40.8395 175.6342 33 A 4.0957 7.5430 122.7141 53.8287 18.8258 179.1429 34 G 3.7628 8.9845 110.2891 45.3594 0.0000 175.0362 35 R 4.0089 7.7197 116.1337 57.5657 29.1954 177.2212 36 D 5.0644 7.8563 115.5325 52.6242 42.1727 175.7353 37 K 4.3183 8.7329 118.4179 56.8426 32.2875 178.5214 38 H 4.5563 9.7143 126.0485 58.4791 27.8771 175.8701 39 E 4.8105 7.4923 121.4934 55.7282 30.6064 178.0870 40 F 5.0303 8.5656 115.6273 59.2636 38.3633 174.9381 41 H 3.5216 5.8675 115.7921 57.4314 28.6647 174.4920 42 N 4.2279 8.7349 119.2308 54.2357 36.0700 173.4985 43 H 4.8465 7.7403 114.8066 53.9161 30.5015 175.0729 44 E 4.1766 8.5423 122.3324 55.3346 30.0007 175.4405 45 P 4.4494 0.0000 0.0000 62.6718 31.8682 176.1960 46 L 4.1114 8.0568 119.3710 55.0980 42.2075 175.8548 47 G 4.2419 8.0736 105.8014 43.5258 0.0000 173.2625 48 K 4.5974 8.0764 119.3349 54.8685 34.0728 176.5933 49 S 4.3988 8.3962 115.4345 58.0649 65.4030 175.5785 50 G 4.0829 9.0466 117.9206 45.3065 0.0000 171.6724 51 F 5.0048 8.5229 112.6389 55.5026 40.9867 173.3134 52 K 4.2513 8.3041 119.5136 54.4255 34.8027 176.5517 53 R 4.4167 7.9980 121.8720 54.1876 31.5084 174.6958 54 P 4.3253 0.0000 0.0000 63.0741 31.3911 177.2461 55 Q 3.9576 8.9136 120.5538 58.9572 28.7529 178.3414 56 K 4.4342 7.9665 113.9829 56.9119 32.8086 177.0250 57 V 4.2681 7.7856 117.5076 62.8348 32.3162 175.1104 58 Q 4.4823 7.5289 116.9408 55.4233 29.8321 174.7910 59 E 4.5395 8.5258 121.1647 54.5261 31.7671 175.0853 60 E 4.4678 8.3708 123.1989 54.2525 31.7883 174.3471 61 A 4.0171 8.2370 129.1929 51.1601 19.8477 176.4186 62 A 4.3978 8.9526 125.4559 51.1090 19.7224 176.8135 63 T 5.3948 8.0181 111.5325 60.8058 71.7263 174.0532 64 I 4.2677 7.6761 118.7110 60.4868 41.5916 173.1664 65 D 5.1681 8.5641 128.7687 53.4762 42.2137 177.8135 66 V 3.6846 8.4824 115.9260 64.6428 31.3700 178.9082 67 R 3.8908 7.8475 118.0246 59.5576 29.6119 178.1974 68 E 3.9021 7.8616 117.3678 59.1901 30.0173 178.5552 69 I 3.8038 7.6497 119.3254 64.5351 37.1004 177.6653 70 D 4.3238 8.2470 117.7805 57.5111 41.1638 177.9567 71 E 4.2116 8.3462 117.5314 58.0623 29.6214 177.1887 72 N 5.0186 7.8074 116.4736 52.8626 39.8489 177.1819 73 V 3.2431 7.9665 113.2742 64.6699 31.6899 178.0061 74 T 4.0174 7.5618 107.9894 64.5818 68.7783 175.5948 75 L 4.0629 7.7801 120.8133 57.0579 41.9370 177.3647 76 L 4.3961 7.6056 120.3864 53.8638 41.0077 178.2150 77 A 4.1024 7.8519 121.7058 55.0293 18.9150 178.0643 78 A 4.4877 7.8086 117.7258 52.1836 18.8341 177.1283 79 D 4.4594 8.1583 119.2235 56.3465 44.8147 176.0198 80 D 4.1139 7.4462 122.2835 52.6158 40.0118 175.3424 81 V 4.6112 8.0051 122.2249 60.7706 31.9774 175.5735 82 A 4.4080 7.7965 131.0436 50.8009 20.1665 177.4644 83 E 3.7941 8.8088 112.3242 59.4134 29.7908 177.0830 *89 F 4.6070 7.7315 117.8074 57.3969 41.0201 173.8785 90 R 5.0881 8.8498 121.8881 54.6648 32.2115 175.0619 91 V 4.4865 8.6798 126.3358 59.8390 34.8333 174.5538 92 D 4.6047 8.7140 124.3896 52.8610 41.0780 176.5673 93 V 3.6596 8.6116 128.4907 66.0574 31.7103 178.4044 94 R 3.9031 7.9025 117.6067 59.1173 29.9017 177.1176 95 D 4.6409 8.0790 115.0574 54.7132 41.3092 176.7354 96 V 4.0688 7.8321 118.8302 64.2921 32.7151 176.4538 97 V 3.6443 7.5756 118.2181 62.8770 31.4974 175.4492 98 E 4.1845 8.6099 126.1866 56.9567 30.2518 176.5905 99 E 4.1731 8.7287 117.4099 57.5184 26.8871 175.2034 100 A 4.3047 7.4853 119.4253 52.9817 18.9102 178.9137 101 D 4.6229 7.9353 117.2209 56.7613 41.6944 178.6767 102 D 4.4522 7.9647 115.3996 53.5022 39.4554 175.4739 103 A 4.7963 7.4590 121.7330 50.9409 21.3775 177.1992 104 D 4.6437 8.6181 121.1352 57.3060 42.0538 175.6066 105 Y 4.7129 7.1755 113.8590 56.3996 41.0385 172.9099 106 V 4.7994 8.8423 120.7091 61.1354 33.7762 174.2332 107 K 4.7876 9.0096 129.2104 54.5661 35.4782 174.5198 108 V 4.6294 8.2472 127.2304 61.5950 33.1945 174.7545 109 L 4.8856 9.2571 128.0211 52.5197 44.5961 176.7434 110 G 4.4050 8.2214 107.4543 45.5811 0.0000 173.6817 111 A 4.5486 7.9618 120.8421 51.7241 21.3102 179.2071 112 G 4.0449 8.9669 108.4878 44.5442 0.0000 172.2144 113 Q 4.5196 8.1221 116.7425 54.1066 31.0432 175.6077 114 V 4.3293 7.9959 117.8372 61.7879 32.8697 174.7040 115 R 4.4825 8.7249 125.3806 56.1889 30.0510 175.8854 116 H 5.2124 7.6886 113.9991 53.9420 33.3739 172.7777 117 E 4.6106 8.8507 118.5176 55.2963 30.2019 175.7128 118 L 5.1277 8.6142 124.2215 53.0670 45.9016 175.9801 119 T 4.9647 8.9579 119.5223 62.0705 70.4944 172.6920 120 L 5.2360 8.6240 127.2082 53.2750 44.1988 175.9384 121 I 5.6208 8.7754 123.4900 58.9808 39.9174 174.6160 122 A 4.8934 8.5625 127.2645 50.8237 22.6931 175.9469 123 D 4.4343 8.6018 117.8881 56.5906 41.9592 176.2562 124 D 4.6959 7.1648 115.6447 53.8132 44.4502 174.3788 125 F 5.2654 8.6431 120.4288 55.0086 43.3855 175.1287 126 S 4.6580 8.4398 117.9202 57.4261 65.5938 174.8828 127 E 4.0278 8.8946 123.7871 59.8909 29.3919 179.6658 128 G 3.6341 8.1236 104.7440 47.5748 0.0000 175.4532 129 A 4.1242 7.9681 122.8395 54.9383 18.2931 179.9868 130 R 3.6988 8.0529 116.6112 59.5489 30.2408 178.7524 131 E 3.9391 8.1000 118.2772 59.7618 29.3636 180.0085 132 K 3.9776 7.9649 117.6432 59.5109 32.2021 179.7370 133 V 3.6189 7.8117 118.5474 65.8590 31.5444 177.7923 134 E 4.6553 8.1438 120.1757 58.0937 29.1831 179.2625 135 G 3.5611 8.0520 107.4505 48.0100 0.0000 173.7720 136 A 4.4899 7.9377 122.5494 51.8746 19.1289 177.1154 137 G 3.5653 7.9348 104.9705 48.7158 0.0000 173.7334 138 G 4.5208 7.9772 107.2071 44.0013 0.0000 172.5562 139 S 4.9741 8.8441 112.7050 56.4730 67.0889 173.3313 140 V 4.3711 8.1455 119.8763 61.1817 33.6729 174.3116 141 E 4.5751 9.4786 129.2671 54.5526 31.3741 175.0399 142 L 4.9086 8.5379 127.7768 54.6043 42.7124 176.5711 143 T 4.1298 8.8088 123.4385 63.6569 69.6870 175.2330 144 D 4.3529 8.7426 121.7831 57.4994 40.4988 178.8601 145 L 4.0868 7.9008 119.9940 57.8664 42.3188 178.6894 146 G 3.9503 7.5097 103.9870 45.8190 0.0000 173.6305 147 E 4.4166 7.6318 122.4378 56.0635 28.2105 176.5460 148 E 4.6412 7.6955 112.0687 55.9387 31.6677 177.0864 149 R 4.4144 7.4518 119.4134 54.4114 30.3028 175.7827 150 Q 4.2252 8.1636 122.3452 56.6362 28.9961 173.5912 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 T 8.16 4.28 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 1.20 0.00 0.00 2 S 8.35 4.43 0.00 4.05 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 3 K 9.46 4.00 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.09 3.87 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.78 4.05 0.00 1.74 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.56 4.42 0.00 1.92 1.92 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 7 Q 8.01 4.13 0.00 1.89 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 8 R 7.51 4.03 0.00 1.79 1.90 0.00 3.36 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 9.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.97 4.16 0.00 4.00 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 R 7.97 4.15 0.00 1.97 2.09 0.00 3.20 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.63 4.31 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 1.31 0.00 0.00 13 H 8.35 4.69 0.00 3.20 3.40 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.53 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 0.00 0.00 0.00 15 G 8.22 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 16 G 7.88 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 17 S 8.58 4.19 0.00 3.87 3.75 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 18 H 8.78 4.45 0.00 3.30 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.57 4.04 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.28 7.81 20 N 7.48 4.32 0.00 2.82 2.57 0.00 0.00 6.97 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 21 R 7.45 4.39 0.00 1.78 1.90 0.00 3.17 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 22 R 7.41 4.59 0.00 1.73 1.05 0.00 3.22 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 23 G 8.47 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 0.00 0.00 0.00 0.00 24 A 8.69 4.30 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 25 G 8.06 3.55 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 26 H 8.11 4.56 0.00 3.13 3.45 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.56 4.58 0.00 1.88 1.90 0.00 3.35 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 28 G 8.35 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 0.00 0.00 0.00 29 G 8.21 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 0.00 0.00 0.00 30 R 8.54 4.14 0.00 1.90 1.86 0.00 3.29 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 31 G 8.20 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 0.00 0.00 0.00 32 D 8.57 4.73 0.00 2.72 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 33 A 7.54 4.10 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 34 G 8.98 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 35 R 7.72 4.01 0.00 1.58 1.92 0.00 2.73 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 36 D 7.86 5.06 0.00 2.73 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 37 K 8.73 4.32 0.00 1.77 1.39 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.51 7.81 38 H 9.71 4.56 0.00 3.33 3.48 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.49 4.81 0.00 2.23 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 2.23 2.18 0.00 40 F 8.57 5.03 0.00 3.25 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 5.87 3.52 0.00 2.87 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.73 4.23 0.00 2.78 2.85 0.00 0.00 7.06 8.16 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 43 H 7.74 4.85 0.00 3.38 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.54 4.18 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.45 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.06 4.11 0.00 1.66 1.64 0.91 0.93 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 47 G 8.07 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 0.00 0.00 0.00 0.00 48 K 8.08 4.60 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.40 4.40 0.00 3.79 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 50 G 9.05 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 0.00 0.00 0.00 51 F 8.52 5.00 0.00 3.14 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 52 K 8.30 4.25 0.00 1.67 1.62 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 8.00 4.42 0.00 1.72 1.86 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.38 0.00 54 P 0.00 4.33 0.00 2.22 2.21 0.00 3.77 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 2.10 2.03 0.00 55 Q 8.91 3.96 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 56 K 7.97 4.43 0.00 1.86 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 7.79 4.27 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.53 4.48 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.40 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 59 E 8.53 4.54 0.00 1.97 1.86 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 2.27 2.30 0.00 60 E 8.37 4.47 0.00 1.94 1.71 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 2.14 2.19 0.00 61 A 8.24 4.02 0.70 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 62 A 8.95 4.40 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 63 T 8.02 5.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 64 I 7.68 4.27 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.94 0.00 0.00 65 D 8.56 5.17 0.00 2.75 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 66 V 8.48 3.68 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 0.87 0.00 0.00 1.00 0.00 0.00 67 R 7.85 3.89 0.00 1.95 2.02 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 7.86 3.90 0.00 2.03 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 2.31 2.34 0.00 69 I 7.65 3.80 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.91 0.00 0.00 70 D 8.25 4.32 0.00 2.69 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 71 E 8.35 4.21 0.00 2.00 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 2.34 2.52 0.00 72 N 7.81 5.02 0.00 2.69 2.70 0.00 0.00 6.83 7.55 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 73 V 7.97 3.24 0.67 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 0.43 0.00 0.00 0.43 0.00 0.00 74 T 7.56 4.02 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 75 L 7.78 4.06 0.00 1.73 1.75 0.96 0.94 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 76 L 7.61 4.40 0.00 1.82 1.62 0.88 0.82 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 77 A 7.85 4.10 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 78 A 7.81 4.49 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 79 D 8.16 4.46 0.00 2.87 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 80 D 7.45 4.11 0.00 3.21 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 81 V 8.01 4.61 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 0.47 0.00 0.00 1.00 0.00 0.00 82 A 7.80 4.41 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.81 3.79 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 *89 F 7.73 4.61 0.00 3.05 3.07 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 90 R 8.85 5.09 0.00 1.82 1.84 0.00 3.22 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 91 V 8.68 4.49 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 0.68 0.00 0.00 0.95 0.00 0.00 92 D 8.71 4.60 0.00 2.73 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 93 V 8.61 3.66 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 0.96 0.00 0.00 1.00 0.00 0.00 94 R 7.90 3.90 0.00 1.97 1.99 0.00 3.22 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 95 D 8.08 4.64 0.00 2.80 2.71 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 96 V 7.83 4.07 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.58 3.64 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 0.87 0.00 0.00 0.98 0.00 0.00 98 E 8.61 4.18 0.00 2.05 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 2.38 2.31 0.00 99 E 8.73 4.17 0.00 2.09 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 2.18 2.27 0.00 100 A 7.49 4.30 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 0.00 101 D 7.94 4.62 0.00 2.70 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 0.00 102 D 7.96 4.45 0.00 2.76 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 0.00 103 A 7.46 4.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.62 4.64 0.00 2.64 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 0.00 105 Y 7.18 4.71 0.00 3.10 2.95 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 0.00 106 V 8.84 4.80 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 0.90 0.00 0.00 0.92 0.00 0.00 107 K 9.01 4.79 0.00 2.06 1.63 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.34 7.81 108 V 8.25 4.63 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 1.04 0.00 0.00 0.80 0.00 0.00 109 L 9.26 4.89 0.00 1.75 1.56 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.22 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.96 4.55 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.97 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 0.00 0.00 0.00 113 Q 8.12 4.52 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 8.00 4.33 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.72 4.48 0.00 1.64 1.80 0.00 3.12 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 116 H 7.69 5.21 0.00 3.05 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.85 4.61 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 118 L 8.61 5.13 0.00 1.64 1.63 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.96 4.96 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 1.23 0.00 0.00 120 L 8.62 5.24 0.00 1.80 1.88 1.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.78 5.62 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 1.02 0.00 0.00 122 A 8.56 4.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.60 4.43 0.00 2.73 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 0.00 124 D 7.16 4.70 0.00 2.48 2.35 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 0.00 125 F 8.64 5.27 0.00 2.98 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 0.00 126 S 8.44 4.66 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 0.00 127 E 8.89 4.03 0.00 2.07 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 2.54 2.41 0.00 128 G 8.12 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.97 4.12 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 3.70 0.00 2.04 1.93 0.00 3.13 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 131 E 8.10 3.94 0.00 2.17 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 2.34 2.56 0.00 132 K 7.96 3.98 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 133 V 7.81 3.62 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 1.07 0.00 0.00 1.03 0.00 0.00 134 E 8.14 4.66 0.00 2.08 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 2.39 2.11 0.00 135 G 8.05 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.94 4.49 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 G 7.93 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 0.00 138 G 7.98 4.52 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 0.00 139 S 8.84 4.97 0.00 3.80 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 0.00 140 V 8.15 4.37 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.17 0.00 0.00 141 E 9.48 4.58 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 142 L 8.54 4.91 0.00 1.72 1.63 1.24 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.81 4.13 4.37 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 1.25 0.00 0.00 144 D 8.74 4.35 0.00 2.69 2.72 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 0.00 0.00 0.00 0.00 145 L 7.90 4.09 0.00 1.64 1.85 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.51 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 0.00 147 E 7.63 4.42 0.00 2.12 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 2.55 0.00 148 E 7.70 4.64 0.00 1.80 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 2.17 2.48 0.00 149 R 7.45 4.41 0.00 1.75 1.86 0.00 3.24 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 150 Q 8.16 4.23 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.