NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3478 8.2649 123.5838 52.6203 19.8752 179.5597 6 T 4.0217 8.4813 113.8093 67.2268 68.6071 174.5887 7 R 3.9422 8.8134 121.7106 59.3786 30.2133 178.2831 8 R 3.9315 7.8928 116.7768 59.1133 30.5046 178.5386 9 V 3.7705 7.7775 117.4786 66.2171 31.6004 177.9739 10 V 3.4603 7.6402 117.4335 66.0105 30.9647 178.1209 11 S 4.1295 7.6352 113.7985 61.7016 62.7127 175.4091 12 E 4.1597 7.9059 116.5145 57.5395 29.4550 176.7254 13 I 4.1522 7.2748 121.4518 58.9621 37.7389 173.9856 14 P 4.3443 0.0000 0.0000 62.8128 31.6131 176.7753 15 V 4.0936 8.1933 115.8186 60.9656 32.5192 175.6867 16 L 4.5886 8.4829 122.3276 54.1738 42.6671 177.1953 17 K 4.7612 8.6969 119.4009 56.2480 33.2264 177.0648 18 T 4.3682 7.8891 115.2611 62.1647 71.2936 173.9244 19 N 4.6049 8.7200 126.3373 52.3244 37.8777 173.5446 20 A 4.9039 8.2059 125.9317 50.6169 22.5452 175.4663 21 G 4.2474 9.1106 109.8052 42.7006 0.0000 173.4130 22 P 2.0000 0.0000 0.0000 62.2490 30.1622 176.8650 23 R 4.4893 8.4048 115.9140 56.5572 31.8864 174.7991 24 D 4.9971 8.1369 116.2016 56.2842 43.1941 180.7850 25 R 3.5137 8.3431 120.6271 56.7395 30.9046 177.8161 26 E 4.0004 9.6542 128.3772 60.5849 29.6874 176.7214 27 L 4.1158 8.3087 118.7020 57.2183 41.5824 179.1696 28 W 4.5170 8.3635 128.1449 60.5031 30.6476 177.7356 29 V 3.6213 7.7850 117.6616 66.1559 30.9390 177.4595 30 Q 3.9461 7.7850 119.1230 59.4199 28.8276 178.6136 31 R 3.8128 8.1878 119.6352 59.2002 30.0213 177.9874 32 L 3.3830 7.9670 121.1024 58.0455 41.8811 179.1229 33 K 4.2171 8.3626 118.5933 59.5921 31.9358 179.0043 34 E 3.9636 8.1242 118.8043 59.4087 29.3268 178.9000 35 E 3.8653 8.3671 119.4641 59.6668 29.6028 178.3477 36 Y 4.3574 7.9532 116.7688 61.4235 38.1087 178.9028 37 Q 4.0727 8.5701 119.0845 59.0918 28.8119 178.9525 38 S 4.1625 8.5651 114.5245 61.2181 62.3539 176.1332 39 L 4.2201 8.4163 122.3570 57.8438 41.4071 179.4126 40 I 3.6986 8.1621 113.3134 64.2577 37.2867 178.3400 41 R 3.9364 7.9810 119.7122 58.9842 29.5777 178.2987 42 Y 4.3700 8.2890 119.3143 60.9089 38.7282 178.3290 43 V 3.2302 8.1017 119.3447 65.9678 31.4679 177.8597 44 E 3.9525 8.3208 118.3244 59.5284 29.3470 179.0762 45 N 4.4184 8.5315 116.7367 56.4027 38.5699 177.2224 46 N 4.4655 8.4187 117.9535 56.2728 38.5753 177.6338 47 K 4.0083 8.2902 119.9785 59.6643 31.9654 179.1737 48 N 4.3659 8.4795 115.6516 55.6230 38.4256 176.2335 49 A 4.4963 7.7955 119.7844 50.4763 20.1680 176.3806 50 D 4.4122 8.1726 117.0631 55.9751 39.9392 173.3345 51 N 5.0317 8.8158 110.6042 52.9444 39.9856 173.4126 52 D 4.4330 8.6424 117.2396 54.1854 41.2836 174.9845 53 W 3.7138 8.0092 122.5031 55.2696 29.8852 174.3149 54 F 4.4320 6.1492 113.2858 56.2248 40.1210 173.4727 55 R 4.3613 8.9270 117.9111 54.4522 34.3615 174.1486 56 L 5.3409 8.5894 124.7277 53.5014 45.2450 174.9285 57 E 4.9574 8.9814 124.4636 54.6054 34.2605 174.3194 58 S 4.0550 7.6390 114.2301 56.4047 65.9014 172.6193 59 N 4.7822 7.8691 118.5116 51.3818 38.9104 174.9887 60 K 4.0136 8.7517 116.8611 60.0310 31.9223 178.5324 61 E 4.2192 8.1611 115.2801 57.2625 29.7483 177.4776 62 G 3.8595 8.4975 106.9612 46.3974 0.0000 174.2484 63 T 4.6302 8.1401 110.5411 61.5687 71.1760 174.0751 64 R 4.9615 7.9994 121.3877 54.0536 33.8145 174.4195 65 W 5.0499 9.0436 123.4408 54.7252 32.8143 174.4994 66 F 5.3031 8.4096 117.3668 55.2069 41.6179 174.4403 67 G 4.4382 8.2394 104.7754 46.4383 0.0000 171.4843 68 K 5.4159 8.0327 118.7985 56.1367 36.5826 175.0039 69 C 5.4570 9.4945 115.2119 56.6188 33.4253 172.7500 70 W 6.2522 9.0059 116.6687 55.5147 31.5228 173.6213 71 Y 4.9662 9.5423 121.4474 56.2531 41.8791 173.7117 72 I 5.5282 8.1293 127.1468 59.6570 38.6757 174.6082 73 H 4.5967 8.9293 126.7060 55.0822 32.2220 173.0170 74 D 4.2916 9.3527 128.6040 55.5532 37.9872 175.6436 75 L 4.0115 8.0244 118.5740 55.4782 41.4402 176.0371 76 L 4.1998 7.8099 117.9354 54.4117 42.9945 176.0922 77 K 4.9046 8.4536 123.1011 55.1037 34.1576 174.6930 78 Y 4.5746 9.5429 126.1894 56.4791 39.8271 174.4111 79 E 5.4356 8.5359 125.5006 54.8274 31.9989 175.0498 80 F 5.1717 9.4561 123.6419 55.8587 43.6839 173.8388 81 D 5.3382 9.3131 123.3768 54.4391 42.0551 175.4893 82 I 5.1760 8.9416 115.8882 59.6342 41.5224 173.7622 83 E 5.3783 8.5082 119.5618 56.0199 33.1852 173.9940 84 F 4.7491 8.1202 113.3692 56.7215 41.4193 172.2870 85 D 5.5009 8.9421 119.8706 52.6244 43.3465 176.1309 86 I 4.0102 8.6411 124.0398 60.3487 37.6070 174.7078 87 P 4.4449 0.0000 0.0000 62.0661 31.9316 177.5374 88 I 3.6705 8.2839 120.9028 63.8340 38.2087 176.7163 89 T 4.3872 7.8046 108.8364 61.4549 68.9892 173.9148 90 Y 4.6744 7.8871 124.5967 57.4533 38.4902 174.4052 91 P 2.9700 0.0000 0.0000 63.1151 31.8258 178.0117 92 T 4.0356 7.6379 115.9852 65.8729 68.5183 174.3435 93 T 4.4260 7.2693 117.7646 61.0641 70.2241 173.8144 94 A 3.6726 7.8095 129.5448 51.2237 18.7448 175.1562 95 P 4.3645 0.0000 0.0000 62.1386 32.2731 176.0170 96 E 4.2884 8.1756 118.9400 54.6334 29.7520 176.3730 97 I 4.0163 7.6741 125.0394 61.3353 38.7742 175.2934 98 A 5.0010 8.6414 126.5831 50.6297 23.2765 175.6625 99 V 4.7572 8.2889 122.0005 57.9265 32.1966 174.4130 100 P 4.2793 0.0000 0.0000 66.3051 31.5894 178.5928 101 E 4.0810 8.4798 115.4620 59.4495 29.7512 178.0961 102 L 4.3175 8.0279 116.3486 54.9625 42.2261 175.9984 103 D 4.4796 7.7238 118.5866 55.9031 41.1939 176.4420 104 G 3.9735 8.9335 114.5596 47.0073 0.0000 173.7444 105 K 4.5254 7.8666 114.9304 55.2861 33.8376 176.5851 106 T 4.0936 8.0174 111.0266 61.3660 69.3666 172.4261 107 A 4.1185 9.0446 133.1899 55.5586 18.5368 178.9338 108 K 4.1506 7.5917 115.1169 56.5914 29.4788 175.3478 *110 Y 4.4135 7.4831 120.3936 57.0705 39.6094 174.4903 111 R 3.9863 8.4211 120.2275 57.9178 30.5373 177.2226 112 G 3.9529 9.0042 111.9004 45.6487 0.0000 174.1920 113 G 3.9114 8.0334 107.9193 44.9219 0.0000 173.4848 114 K 4.5527 7.3280 117.8520 56.1153 32.4178 177.4090 115 I 3.6450 8.5302 126.0862 61.1758 38.0873 175.8519 116 C 4.7339 8.1855 118.5649 56.4977 31.4569 173.7935 117 L 4.3626 8.2744 124.9589 53.9572 42.7342 177.0152 118 T 4.2898 8.1863 108.8598 61.5526 69.4413 175.4270 119 D 4.4408 8.6243 122.5214 57.6489 39.8012 177.2892 120 H 4.5578 8.1577 114.5019 56.4307 28.9384 176.6120 121 F 4.1938 8.3327 123.0615 60.0693 39.2728 176.8721 122 K 3.8221 8.2728 118.4890 59.3556 32.1317 176.6784 123 P 4.2242 0.0000 0.0000 65.5097 31.0819 178.1604 124 L 3.8734 7.0783 117.8882 57.8632 42.2155 178.6916 125 W 3.9448 7.9042 127.8471 60.3831 30.2276 177.6251 126 A 4.1077 8.1752 121.0271 55.2099 17.6140 179.0188 127 R 4.1474 7.6339 110.9074 57.1438 30.0405 176.6476 128 N 4.3528 7.5330 116.5133 52.6408 40.0516 174.8116 129 V 3.4199 6.6881 117.4673 63.0176 31.1885 173.6685 130 P 4.6484 0.0000 0.0000 62.3560 31.7185 177.1579 131 K 4.3225 7.8031 121.4674 59.2044 32.1205 177.4191 132 F 4.3345 6.7341 113.5499 56.6717 39.8332 175.3744 133 G 4.5762 8.1409 112.1906 44.0337 0.0000 172.5626 134 L 3.9131 10.0598 119.3783 57.9074 41.8061 178.4805 135 A 4.2380 8.2183 119.9218 55.7421 18.6035 178.3916 136 H 3.8690 8.1565 112.3305 58.9533 28.9228 177.9284 137 L 4.2280 8.3657 118.0749 56.2385 41.8192 178.1892 *139 A 4.5169 7.8953 120.5605 51.5166 20.0986 178.4994 140 L 4.4470 8.7878 114.8064 55.3040 43.0496 177.3624 141 G 3.3453 8.1950 108.3345 45.7926 0.0000 175.3634 142 L 4.0258 8.8155 121.1081 58.8084 42.7592 177.7245 143 G 3.0919 8.3383 102.7863 48.2580 0.0000 173.1819 144 P 4.1372 0.0000 0.0000 64.2811 31.5819 178.5176 145 W 3.8454 7.8569 127.2313 60.5917 30.6577 177.9742 146 L 3.8554 8.8433 118.9346 57.7119 40.8230 179.3738 147 A 3.8165 7.6759 119.8724 54.8985 18.4705 179.5398 148 V 3.5311 7.2198 115.8827 65.7787 31.7678 178.2562 149 E 3.4358 7.3829 118.2817 59.1185 29.0853 179.0824 150 I 3.3298 6.8819 119.9074 63.9027 37.1710 176.7411 151 P 4.0511 0.0000 0.0000 65.7134 31.0824 177.9063 152 D 4.1662 7.3688 117.2706 57.1778 41.1665 178.1925 153 L 3.9254 8.2354 119.7770 57.7474 41.6373 179.7197 154 I 3.8477 7.7737 120.1551 64.3512 36.8412 178.5172 155 Q 4.0400 7.8525 117.2052 58.8915 28.5073 177.9869 156 K 4.2323 7.8340 118.4965 56.6820 32.2877 177.8011 157 G 3.9127 7.6740 107.1299 45.7934 0.0000 174.8045 158 V 3.8057 7.8518 121.3864 64.1384 31.8158 176.3603 159 I 4.6834 7.5751 117.8335 59.0263 40.4764 174.0121 160 Q 4.9297 8.5893 124.5947 54.2386 32.1445 174.3379 161 H 4.5344 8.7476 119.2742 55.4825 30.9658 175.1118 162 K 4.0302 7.7964 125.5083 57.0196 31.8363 175.0483 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 A 8.26 4.35 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.48 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 7 R 8.81 3.94 0.00 1.89 1.94 0.00 3.20 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 1.72 1.76 0.00 8 R 7.89 3.93 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 9 V 7.78 3.77 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 1.13 0.00 0.00 1.01 0.00 0.00 10 V 7.64 3.46 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 0.88 0.00 0.00 0.92 0.00 0.00 11 S 7.64 4.13 0.00 4.12 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 12 E 7.91 4.16 0.00 2.14 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 2.38 2.44 0.00 13 I 7.27 4.15 1.81 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.54 0.00 0.00 14 P 0.00 4.34 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 15 V 8.19 4.09 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 0.77 0.00 0.00 0.93 0.00 0.00 16 L 8.48 4.59 0.00 1.79 1.72 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.70 4.76 0.00 1.70 1.74 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.50 7.81 18 T 7.89 4.37 4.34 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 1.31 0.00 0.00 19 N 8.72 4.60 0.00 2.66 2.76 0.00 0.00 6.96 7.96 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 20 A 8.21 4.90 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 21 G 9.11 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 0.00 0.00 0.00 0.00 22 P 0.00 2.00 0.00 1.60 1.01 0.00 3.52 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 23 R 8.40 4.49 0.00 1.63 1.79 0.00 3.03 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 24 D 8.14 5.00 0.00 3.06 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 25 R 8.34 3.51 0.00 1.96 1.49 0.00 3.18 0.00 0.00 3.13 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 26 E 9.65 4.00 0.00 2.12 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 2.42 2.53 0.00 27 L 8.31 4.12 0.00 1.97 1.82 1.01 0.72 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 28 W 8.36 4.52 0.00 3.61 3.35 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 29 V 7.79 3.62 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.08 0.00 0.00 30 Q 7.79 3.95 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 31 R 8.19 3.81 0.00 2.00 2.01 0.00 3.22 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 32 L 7.97 3.38 0.00 1.17 1.63 0.60 0.94 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 33 K 8.36 4.22 0.00 1.98 1.91 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.70 7.81 34 E 8.12 3.96 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 35 E 8.37 3.87 0.00 2.04 1.73 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 2.03 2.18 0.00 36 Y 7.95 4.36 0.00 3.23 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 37 Q 8.57 4.07 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 38 S 8.57 4.16 0.00 4.05 3.89 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 39 L 8.42 4.22 0.00 2.03 1.87 1.02 0.91 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 40 I 8.16 3.70 1.90 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 1.58 0.76 1.02 0.00 0.00 41 R 7.98 3.94 0.00 2.19 2.10 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 42 Y 8.29 4.37 0.00 3.07 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.10 3.23 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 0.53 0.00 0.00 44 E 8.32 3.95 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 45 N 8.53 4.42 0.00 3.03 3.12 0.00 0.00 7.07 7.74 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 46 N 8.42 4.47 0.00 2.81 3.11 0.00 0.00 7.04 7.20 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 47 K 8.29 4.01 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.67 7.81 48 N 8.48 4.37 0.00 2.87 2.92 0.00 0.00 6.98 6.91 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 49 A 7.80 4.50 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.17 4.41 0.00 2.79 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 51 N 8.82 5.03 0.00 2.67 2.82 0.00 0.00 6.97 8.93 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 52 D 8.64 4.43 0.00 2.80 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 53 W 8.01 3.71 0.00 3.39 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 54 F 6.15 4.43 0.00 2.63 1.62 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 55 R 8.93 4.36 0.00 1.85 1.83 0.00 3.21 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 56 L 8.59 5.34 0.00 1.95 1.78 1.25 1.11 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 57 E 8.98 4.96 0.00 1.16 1.42 0.00 0.00 0.00 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 2.12 0.00 58 S 7.64 4.05 0.00 2.72 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 59 N 7.87 4.78 0.00 2.85 2.94 0.00 0.00 7.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.75 4.01 0.00 1.78 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 61 E 8.16 4.22 0.00 2.05 2.14 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 2.37 2.34 0.00 62 G 8.50 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 63 T 8.14 4.63 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 1.16 0.00 0.00 64 R 8.00 4.96 0.00 1.78 1.86 0.00 3.12 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 1.61 1.88 0.00 65 W 9.04 5.05 0.00 1.78 2.56 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 66 F 8.41 5.30 0.00 3.08 3.08 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 67 G 8.24 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 5.42 0.00 2.12 2.08 0.00 1.36 0.00 0.00 2.04 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.77 7.81 69 C 9.49 5.46 0.00 3.46 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 70 W 9.01 6.25 0.00 3.50 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 9.54 4.97 0.00 3.25 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 72 I 8.13 5.53 1.83 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 1.01 0.00 0.00 73 H 8.93 4.60 0.00 3.38 3.37 0.00 5.88 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 74 D 9.35 4.29 0.00 3.01 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 75 L 8.02 4.01 0.00 1.83 1.87 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.81 4.20 0.00 1.95 1.25 0.88 0.42 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 77 K 8.45 4.90 0.00 1.75 1.67 0.00 1.49 0.00 0.00 1.07 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.59 7.81 78 Y 9.54 4.57 0.00 3.44 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 79 E 8.54 5.44 0.00 1.98 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 2.40 2.78 0.00 80 F 9.46 5.17 0.00 3.22 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 81 D 9.31 5.34 0.00 2.77 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 82 I 8.94 5.18 2.04 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 1.60 1.15 1.07 0.00 0.00 83 E 8.51 5.38 0.00 2.18 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 0.00 2.26 2.30 0.00 84 F 8.12 4.75 0.00 3.08 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 85 D 8.94 5.50 0.00 2.62 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 86 I 8.64 4.01 1.89 0.00 0.00 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 1.78 1.45 0.71 0.00 0.00 87 P 0.00 4.44 0.00 2.24 1.98 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 88 I 8.28 3.67 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.91 0.00 0.00 89 T 7.80 4.39 4.27 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 1.22 0.00 0.00 90 Y 7.89 4.67 0.00 3.22 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 2.97 0.00 1.87 1.54 0.00 3.73 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 92 T 7.64 4.04 4.41 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 1.24 0.00 0.00 93 T 7.27 4.43 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 94 A 7.81 3.67 -0.21 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 95 P 0.00 4.36 0.00 1.51 2.19 0.00 3.33 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 96 E 8.18 4.29 0.00 1.87 1.81 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 2.06 2.16 0.00 97 I 7.67 4.02 1.58 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.18 0.78 0.00 0.00 98 A 8.64 5.00 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 99 V 8.29 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 1.12 0.00 0.00 100 P 0.00 4.28 0.00 2.27 2.22 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.19 0.00 101 E 8.48 4.08 0.00 2.25 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 2.44 2.49 0.00 102 L 8.03 4.32 0.00 1.91 1.78 0.90 0.71 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 0.00 103 D 7.72 4.48 0.00 2.81 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 0.00 104 G 8.93 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 0.00 105 K 7.87 4.53 0.00 1.85 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.66 7.81 106 T 8.02 4.09 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 1.36 0.00 0.00 107 A 9.04 4.12 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 0.00 108 K 7.59 4.15 0.00 1.74 1.84 0.00 1.93 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 *110 Y 7.48 4.41 0.00 3.29 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 0.00 111 R 8.42 3.99 0.00 1.97 1.83 0.00 3.32 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 112 G 9.00 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 0.00 113 G 8.03 3.91 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 0.00 0.00 0.00 114 K 7.33 4.55 0.00 1.75 1.72 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.41 7.81 115 I 8.53 3.65 1.44 0.00 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.03 0.04 0.00 0.00 116 C 8.19 4.73 0.00 2.89 2.84 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 0.00 117 L 8.27 4.36 0.00 1.47 1.57 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.19 4.29 4.41 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 1.27 0.00 0.00 119 D 8.62 4.44 0.00 2.55 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 0.00 120 H 8.16 4.56 0.00 3.33 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.33 4.19 0.00 3.25 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 0.00 122 K 8.27 3.82 0.00 2.04 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.67 7.81 123 P 0.00 4.22 0.00 2.20 2.08 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 124 L 7.08 3.87 0.00 1.76 1.86 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 125 W 7.90 3.94 0.00 2.99 2.93 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 0.00 126 A 8.18 4.11 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 0.00 127 R 7.63 4.15 0.00 1.88 1.96 0.00 2.95 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.49 0.00 128 N 7.53 4.35 0.00 1.62 1.42 0.00 0.00 6.56 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 0.00 129 V 6.69 3.42 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 0.68 0.00 0.00 0.94 0.00 0.00 130 P 0.00 4.65 0.00 2.14 2.29 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 131 K 7.80 4.32 0.00 1.74 1.75 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 132 F 6.73 4.33 0.00 1.70 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.14 4.58 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 0.00 134 L 10.06 3.91 0.00 1.27 1.52 -0.70 0.44 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 0.00 135 A 8.22 4.24 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 0.00 136 H 8.16 3.87 0.00 3.15 2.51 0.00 5.84 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 0.00 137 L 8.37 4.23 0.00 1.99 1.81 0.61 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 7.90 4.52 0.98 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 0.00 140 L 8.79 4.45 0.00 1.94 2.04 0.79 0.89 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 0.00 141 G 8.20 3.35 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 0.00 142 L 8.82 4.03 0.00 1.79 2.04 1.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.34 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 0.00 0.00 0.00 144 P 0.00 4.14 0.00 2.16 2.08 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 145 W 7.86 3.85 0.00 3.37 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.84 3.86 0.00 1.75 1.66 1.22 1.44 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 0.00 147 A 7.68 3.82 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 0.00 148 V 7.22 3.53 1.72 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 0.77 0.00 0.00 0.82 0.00 0.00 149 E 7.38 3.44 0.00 1.16 1.12 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 1.47 1.47 0.00 150 I 6.88 3.33 0.91 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.78 0.00 0.00 151 P 0.00 4.05 0.00 2.24 2.42 0.00 3.11 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 152 D 7.37 4.17 0.00 2.87 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 0.00 153 L 8.24 3.93 0.00 1.70 1.62 0.74 0.85 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 0.00 154 I 7.77 3.85 1.71 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 0.76 0.00 0.00 155 Q 7.85 4.04 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 156 K 7.83 4.23 0.00 1.73 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.43 1.57 7.81 157 G 7.67 3.91 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 0.00 0.00 0.00 158 V 7.85 3.81 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 0.84 0.00 0.00 0.92 0.00 0.00 159 I 7.58 4.68 1.97 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.89 0.00 0.00 160 Q 8.59 4.93 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 161 H 8.75 4.53 0.00 2.68 3.09 0.00 5.77 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 0.00 162 K 7.80 4.03 0.00 1.69 1.54 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.