NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5595 8.3644 120.1926 53.5660 42.5052 174.9021 2 S 4.0466 8.4306 120.1812 56.6086 62.8128 173.7407 3 Q 4.0831 9.5114 126.3913 58.5391 29.5206 176.7560 4 V 4.0290 7.1211 108.9122 61.1189 32.2281 175.8570 5 R 4.1891 7.5292 121.2665 55.3062 30.0102 175.6357 6 Q 4.2892 8.3833 126.3764 55.7139 31.8524 173.6508 7 N 4.0944 8.9751 125.4762 54.9832 37.2080 174.9664 8 F 4.9007 7.8591 118.4171 55.6223 41.0691 173.6724 9 H 4.1262 8.5281 129.7102 56.4480 31.6929 176.2902 10 R 3.8927 8.4634 128.2647 61.6224 29.0616 178.2301 11 D 4.5068 8.1481 117.0403 57.9090 40.8979 178.3766 12 C 4.0807 7.6887 116.8290 62.4836 28.0923 175.5612 13 E 3.9947 7.5137 120.6569 59.3015 29.3307 178.8412 14 A 4.0270 7.9821 120.5629 54.8746 18.3018 179.5177 15 A 3.9723 8.0276 119.6452 55.2754 18.4552 179.9139 16 I 3.7000 7.9968 118.4778 64.6149 37.1027 178.3696 17 N 4.3966 8.0684 116.9825 56.4235 38.3695 177.6922 18 R 3.9626 7.9857 119.2672 59.5610 30.1375 179.0591 19 M 4.1507 8.3964 118.7339 58.1403 31.8909 179.0623 20 V 3.6111 7.9365 118.6459 66.0067 31.6797 177.6674 21 N 4.3590 8.0257 116.5676 56.7944 38.7148 176.3968 22 M 4.1079 8.1597 119.6562 58.9233 32.2993 178.1378 23 E 4.0772 8.4796 118.6704 59.3777 29.6127 179.3606 24 L 4.0548 8.1790 119.2085 57.7424 41.6550 178.8173 25 Y 4.1738 8.5696 119.7587 60.7548 38.7937 178.0638 26 A 3.7120 8.4579 121.9968 55.0974 18.4516 179.4393 27 S 4.2057 8.3275 111.7288 61.8513 62.4533 175.8758 28 Y 4.4519 8.2196 122.1906 61.0113 38.4781 177.9921 29 T 3.6045 7.6097 116.7421 66.7561 68.4835 176.3545 30 Y 4.0305 7.7092 118.6250 60.7200 37.8182 178.1660 31 L 4.1102 8.2581 121.4898 58.2582 42.2910 178.9130 32 S 4.2329 8.2026 112.9802 61.8165 62.3890 176.0569 33 M 3.7602 7.8645 121.0402 58.1127 31.6091 178.3316 34 A 4.1966 8.5197 121.2706 55.6457 18.3920 179.6692 35 F 4.3332 8.1684 113.5707 59.7188 39.4495 177.2393 36 Y 4.3178 8.2347 120.0398 60.7840 38.7187 177.5461 37 F 4.1131 8.3110 117.1730 59.2803 38.8972 176.3938 38 D 4.5272 7.6306 115.1568 54.4054 41.7782 176.4900 39 R 4.0851 7.3164 118.8417 56.6099 30.6435 177.3922 40 D 4.3897 8.7280 120.9831 56.3777 39.5573 177.2999 41 D 4.4360 8.2068 118.5321 56.5349 41.4048 175.7463 42 I 4.0296 7.3504 115.0035 62.7027 39.7942 175.5924 43 A 3.5998 7.9801 120.0692 53.6523 16.2527 178.9329 44 L 4.7018 7.9360 121.5820 52.1369 42.7595 177.8727 45 H 4.3233 8.2359 120.5596 58.3177 28.9090 176.5520 46 N 4.3706 8.1700 118.1138 55.6411 38.6689 177.4304 47 V 3.2124 8.0451 119.6990 65.7541 31.5483 177.8776 48 A 4.1971 8.0703 120.5145 55.2006 18.1377 179.5632 49 K 3.8487 8.1123 118.1267 59.3358 32.2422 178.8452 50 F 3.9909 8.0113 121.0493 61.4014 39.3022 177.2558 51 F 4.0803 7.7034 116.8450 60.1140 38.6157 177.6890 52 K 3.8900 8.0651 119.9131 59.2025 31.9256 178.5164 53 E 3.9617 7.7950 117.1730 58.5615 29.7419 178.6194 54 Q 3.4950 7.5175 121.0807 58.8226 28.9322 178.0376 55 S 4.2314 7.9480 114.2606 61.8078 62.4243 175.9491 56 H 4.3274 7.9865 118.9363 58.6118 28.3851 177.3740 57 E 3.8166 8.3936 121.5161 59.4705 29.4943 178.8641 58 E 4.0426 8.3302 118.6004 59.3547 29.4847 179.3407 59 R 3.9628 8.0541 118.7352 59.3472 30.1227 178.4683 60 E 3.9649 8.3925 118.6293 59.5821 29.4499 178.8911 61 H 4.2399 8.1110 116.0361 58.9467 28.8050 177.5201 62 A 4.0610 8.0478 122.4211 55.4811 18.1881 179.6097 63 E 4.0421 8.4241 119.4312 59.9694 29.4019 180.3995 64 K 4.0586 8.2589 123.9250 59.7252 31.6985 181.7947 65 L 4.2171 8.1395 120.2444 57.9565 41.5274 179.5661 66 M 4.0832 8.1279 118.7674 58.0486 31.8413 178.5989 67 K 3.8710 8.1951 119.8364 59.7734 32.3891 178.5796 68 D 4.2966 8.3476 119.2927 57.1787 40.5192 178.4771 69 Q 3.9322 8.4088 120.4001 59.4650 29.1253 178.2090 70 N 4.3253 8.0740 117.3008 56.1831 38.3190 177.3769 71 K 3.8362 7.8659 118.9511 59.6131 32.4675 178.9294 72 R 3.9681 7.7261 116.1303 56.4076 29.7896 178.0812 73 G 3.9762 7.7635 107.4923 45.2256 0.0000 173.9207 74 G 4.2610 7.6795 108.0644 44.1786 0.0000 173.5754 75 R 4.6135 8.9854 118.5425 53.8591 32.5231 176.2265 76 I 4.0314 8.4628 124.2806 61.1977 37.5671 175.5028 77 V 4.3095 8.4332 124.9103 60.9421 33.1835 174.9530 78 L 4.4904 8.3784 127.0791 54.0063 42.7814 175.6938 79 Q 4.7264 8.0736 118.8638 53.5320 32.5586 175.0697 80 D 4.4013 8.5135 118.6084 54.7558 41.2720 176.6209 81 V 4.2805 8.0432 121.9571 61.0250 32.1715 175.7667 82 Q 4.2697 8.7425 127.0362 55.4038 29.2701 176.3955 83 K 3.9995 8.7901 122.9184 56.0269 32.7291 174.7458 84 P 4.4224 0.0000 0.0000 62.5013 32.0079 177.0968 85 E 4.0075 9.1094 120.1738 59.0789 29.5545 177.8558 86 R 4.3215 6.5548 111.6263 54.2463 33.5585 174.8551 87 D 4.4724 8.0309 118.2642 54.5483 41.9996 176.8098 88 E 4.0985 7.1923 117.3986 54.1034 32.0563 175.5420 89 W 4.3819 5.9044 120.8690 55.9739 31.0182 176.6857 90 G 3.9969 7.5727 112.3166 46.6509 0.0000 176.6562 91 N 5.3848 8.6550 126.8743 50.6140 40.1037 174.8322 92 T 4.0618 9.2869 114.3385 66.8548 68.1718 176.5484 93 L 3.9138 7.9982 121.6954 58.2604 42.2257 178.6721 94 E 4.0324 9.0036 118.6179 59.5203 29.4516 179.3144 95 A 4.1807 8.5302 120.8164 55.5243 18.5026 179.6644 96 M 4.3755 8.5966 117.4733 58.6301 32.1638 179.0238 97 Q 4.0733 8.6557 118.5277 58.8961 28.9019 178.6239 98 A 4.0890 8.3775 121.6923 55.0600 18.3316 179.5776 99 A 3.9629 8.2645 119.4345 55.1169 18.5184 179.6114 100 L 3.9922 8.2442 118.9474 58.5026 42.1176 179.2538 101 Q 4.0564 8.0825 117.7186 58.7827 28.6097 178.5835 102 L 3.9618 7.9330 121.3087 58.3389 42.1391 178.9808 103 E 4.1179 8.6705 118.8942 59.2978 29.2599 179.5380 104 K 4.0476 8.2950 118.7610 59.6292 32.1024 179.5792 105 T 3.8883 8.2690 116.4258 66.4935 68.3593 176.9361 106 V 3.6077 7.8685 120.2536 66.1126 31.7273 177.6714 107 N 4.3588 8.4272 116.9041 56.5399 38.7624 176.6379 108 Q 3.9582 8.4732 121.2115 59.0710 29.1679 178.0928 109 A 4.0121 7.9883 121.7393 55.2701 18.2314 179.6588 110 L 4.0331 7.8047 116.2425 57.5465 41.6375 179.6809 111 L 4.1368 7.4911 118.1414 58.0388 41.7795 179.0083 112 D 4.4977 7.9090 117.0280 57.0712 40.7574 177.4075 113 L 3.8754 7.8652 121.2157 56.3462 41.9081 175.6868 *134 P 4.4448 0.0000 0.0000 63.2585 33.9039 179.6009 135 E 4.1098 8.2046 114.9057 60.2648 29.8680 179.3942 136 E 4.5300 7.9801 116.6737 58.8573 30.3302 177.8148 137 Q 4.0444 7.7993 117.8048 58.9937 28.8884 178.8096 138 V 3.7505 7.9139 113.2677 63.6837 31.4552 178.6669 139 K 3.9195 7.8229 119.4974 59.3760 32.2298 178.5783 140 S 4.0776 7.9411 113.1629 61.5076 62.3274 176.2925 141 I 3.7566 7.8097 122.4845 64.2214 36.7894 178.2319 142 K 3.8713 8.0326 120.5560 59.4773 31.9542 178.5114 143 Q 3.6084 8.1643 119.8300 59.1847 28.9731 178.3923 144 L 4.0761 7.9560 120.0471 57.5416 41.6079 179.7958 145 G 3.5961 8.2089 105.8387 47.7999 0.0000 175.3816 146 D 4.4182 8.2466 121.8049 57.4237 40.8278 178.6013 147 Y 4.5542 7.9553 117.0088 61.3885 37.8865 178.8745 148 I 3.6894 8.0432 120.6754 64.6021 37.1333 178.5641 149 T 3.8880 8.0653 116.5864 66.8990 68.2992 176.4635 150 N 4.4165 8.2796 118.2761 56.1375 38.6292 177.5994 151 L 3.7884 7.9575 120.6996 57.5298 41.6853 179.6683 152 K 3.9853 8.1739 118.5959 59.3336 31.7524 179.2805 153 R 3.9274 7.9730 118.2476 59.3638 30.0994 177.8524 154 L 4.3487 7.7633 115.8698 55.1443 42.0211 177.6512 155 G 3.9376 7.9016 108.0367 45.3729 0.0000 173.5864 156 L 4.4349 7.4051 118.6828 54.0779 42.0515 175.9531 157 P 4.5044 0.0000 0.0000 65.1307 31.8718 178.0273 158 Q 4.0038 8.1181 116.6158 58.4191 29.0301 176.2250 159 N 4.7385 8.3085 117.6453 52.3001 38.5561 175.4501 160 G 3.6978 8.4537 115.4465 47.6443 0.0000 172.8244 161 M 4.2373 8.2215 120.2613 58.3849 32.2299 178.3700 162 G 3.6480 8.2867 105.6290 47.7910 0.0000 175.3303 163 E 3.9968 8.1748 121.4394 59.0262 29.6403 178.2514 164 Y 4.0571 8.2801 119.6081 60.8386 38.8393 178.1223 165 L 4.0498 8.3947 120.0123 57.6675 41.6752 179.2735 166 F 4.0016 8.5794 121.0080 61.3122 38.8428 176.7242 167 D 4.0501 7.9931 117.2642 56.9341 40.5209 178.4676 168 K 3.5733 7.4976 118.5830 59.5222 31.9627 178.8312 169 H 4.3971 8.0572 114.7875 57.4973 28.7155 177.0474 170 T 4.0351 7.1832 116.6480 65.5252 69.0529 176.5992 171 M 3.9425 6.9942 117.1253 56.1812 32.2821 176.9987 172 G 3.6818 6.9446 108.9867 44.8579 0.0000 174.4601 173 E 4.0342 7.4729 120.6361 55.9489 30.3707 178.5961 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 D 8.36 4.56 0.00 2.64 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 2 S 8.43 4.05 0.00 4.00 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 3 Q 9.51 4.08 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 4 V 7.12 4.03 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 0.66 0.00 0.00 0.96 0.00 0.00 5 R 7.53 4.19 0.00 1.77 2.00 0.00 3.19 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 6 Q 8.38 4.29 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 7 N 8.98 4.09 0.00 2.87 2.86 0.00 0.00 6.92 7.02 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 8 F 7.86 4.90 0.00 2.84 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 9 H 8.53 4.13 0.00 3.17 3.02 0.00 5.74 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.46 3.89 0.00 1.85 1.95 0.00 3.30 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 11 D 8.15 4.51 0.00 2.54 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 12 C 7.69 4.08 0.00 2.44 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 13 E 7.51 3.99 0.00 1.67 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 2.31 2.62 0.00 14 A 7.98 4.03 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 15 A 8.03 3.97 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 16 I 8.00 3.70 2.12 0.00 0.00 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 1.61 1.11 0.99 0.00 0.00 17 N 8.07 4.40 0.00 2.89 2.88 0.00 0.00 7.04 8.82 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 18 R 7.99 3.96 0.00 2.06 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 19 M 8.40 4.15 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 20 V 7.94 3.61 2.25 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 1.02 0.00 0.00 1.05 0.00 0.00 21 N 8.03 4.36 0.00 2.80 2.93 0.00 0.00 6.89 8.96 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 22 M 8.16 4.11 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 23 E 8.48 4.08 0.00 2.25 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 2.53 2.56 0.00 24 L 8.18 4.05 0.00 1.93 1.74 0.94 0.53 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 25 Y 8.57 4.17 0.00 3.17 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 26 A 8.46 3.71 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 27 S 8.33 4.21 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.22 4.45 0.00 3.16 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 29 T 7.61 3.60 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 30 Y 7.71 4.03 0.00 3.14 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 31 L 8.26 4.11 0.00 2.07 2.09 1.28 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.20 4.23 0.00 3.95 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 33 M 7.86 3.76 0.00 1.06 1.58 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.08 0.00 34 A 8.52 4.20 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 35 F 8.17 4.33 0.00 3.26 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 36 Y 8.23 4.32 0.00 3.33 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 37 F 8.31 4.11 0.00 3.30 3.32 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 0.00 38 D 7.63 4.53 0.00 2.71 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 39 R 7.32 4.09 0.00 1.86 1.75 0.00 3.26 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 40 D 8.73 4.39 0.00 2.80 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 41 D 8.21 4.44 0.00 2.61 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 42 I 7.35 4.03 1.61 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 0.91 -0.14 0.64 0.00 0.00 43 A 7.98 3.60 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 44 L 7.94 4.70 0.00 1.89 1.73 1.18 1.06 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 45 H 8.24 4.32 0.00 3.15 3.32 0.00 5.61 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 46 N 8.17 4.37 0.00 2.85 2.75 0.00 0.00 6.80 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 47 V 8.05 3.21 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 0.02 0.00 0.00 0.80 0.00 0.00 48 A 8.07 4.20 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 49 K 8.11 3.85 0.00 1.97 1.89 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 50 F 8.01 3.99 0.00 2.88 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 51 F 7.70 4.08 0.00 3.17 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 52 K 8.07 3.89 0.00 1.78 1.80 0.00 1.43 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.35 7.81 53 E 7.79 3.96 0.00 2.20 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 2.28 2.18 0.00 54 Q 7.52 3.49 0.00 1.55 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 55 S 7.95 4.23 0.00 4.17 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 56 H 7.99 4.33 0.00 3.30 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.39 3.82 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 2.17 2.27 0.00 58 E 8.33 4.04 0.00 2.14 2.26 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 2.78 2.73 0.00 59 R 8.05 3.96 0.00 1.96 2.05 0.00 3.10 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 60 E 8.39 3.96 0.00 2.13 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 2.47 2.47 0.00 61 H 8.11 4.24 0.00 3.40 3.35 0.00 5.65 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 62 A 8.05 4.06 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 63 E 8.42 4.04 0.00 2.20 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 2.33 2.46 0.00 64 K 8.26 4.06 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 65 L 8.14 4.22 0.00 1.89 1.79 0.96 0.82 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 66 M 8.13 4.08 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 67 K 8.20 3.87 0.00 2.05 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.63 7.81 68 D 8.35 4.30 0.00 2.89 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 69 Q 8.41 3.93 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 70 N 8.07 4.33 0.00 2.92 2.84 0.00 0.00 7.11 7.03 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 71 K 7.87 3.84 0.00 1.84 1.79 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.65 7.81 72 R 7.73 3.97 0.00 0.82 0.66 0.00 3.00 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 0.00 73 G 7.76 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.68 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 0.00 0.00 0.00 0.00 75 R 8.99 4.61 0.00 1.76 1.85 0.00 3.35 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 76 I 8.46 4.03 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.93 0.00 0.00 77 V 8.43 4.31 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 0.81 0.00 0.00 1.00 0.00 0.00 78 L 8.38 4.49 0.00 1.68 1.58 0.92 0.93 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 79 Q 8.07 4.73 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 80 D 8.51 4.40 0.00 2.69 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 81 V 8.04 4.28 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 0.96 0.00 0.00 0.93 0.00 0.00 82 Q 8.74 4.27 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 83 K 8.79 4.00 0.00 1.82 1.82 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 84 P 0.00 4.42 0.00 2.26 2.02 0.00 3.37 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 85 E 9.11 4.01 0.00 2.07 2.00 0.00 0.00 0.00 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 2.44 0.00 86 R 6.55 4.32 0.00 0.67 0.93 0.00 2.94 0.00 0.00 2.71 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.13 0.00 87 D 8.03 4.47 0.00 2.48 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 88 E 7.19 4.10 0.00 1.54 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 89 W 5.90 4.38 0.00 2.61 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.57 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 0.00 0.00 0.00 91 N 8.65 5.38 0.00 3.24 3.09 0.00 0.00 5.96 7.22 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 92 T 9.29 4.06 4.21 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 1.05 0.00 0.00 93 L 8.00 3.91 0.00 1.72 1.91 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.00 4.03 0.00 2.48 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 0.00 2.39 2.56 0.00 95 A 8.53 4.18 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 0.00 0.00 0.00 0.00 0.00 96 M 8.60 4.38 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.99 0.00 97 Q 8.66 4.07 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 98 A 8.38 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.96 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 0.00 0.00 0.00 0.00 0.00 100 L 8.24 3.99 0.00 1.86 1.91 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.08 4.06 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 102 L 7.93 3.96 0.00 1.82 1.81 0.88 0.25 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 0.00 103 E 8.67 4.12 0.00 2.08 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 2.70 2.64 0.00 104 K 8.30 4.05 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 105 T 8.27 3.89 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 1.24 0.00 0.00 106 V 7.87 3.61 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 1.05 0.00 0.00 1.03 0.00 0.00 107 N 8.43 4.36 0.00 3.06 2.96 0.00 0.00 6.89 6.21 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 0.00 108 Q 8.47 3.96 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 109 A 7.99 4.01 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 0.00 110 L 7.80 4.03 0.00 1.84 1.76 0.92 1.03 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 0.00 111 L 7.49 4.14 0.00 1.90 1.73 0.97 0.89 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 0.00 112 D 7.91 4.50 0.00 2.84 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 0.00 113 L 7.87 3.88 0.00 1.82 1.70 0.94 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 *134 P 0.00 4.44 0.00 2.24 2.12 0.00 3.65 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 2.01 2.09 0.00 135 E 8.20 4.11 0.00 2.06 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 2.23 1.94 0.00 136 E 7.98 4.53 0.00 2.03 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 2.33 2.40 0.00 137 Q 7.80 4.04 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 138 V 7.91 3.75 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 0.81 0.00 0.00 1.00 0.00 0.00 139 K 7.82 3.92 0.00 2.00 1.90 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.48 7.81 140 S 7.94 4.08 0.00 4.12 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 0.00 141 I 7.81 3.76 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.93 0.00 0.00 142 K 8.03 3.87 0.00 1.93 1.99 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 143 Q 8.16 3.61 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.35 1.95 0.00 144 L 7.96 4.08 0.00 1.92 1.80 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.21 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 0.00 0.00 0.00 146 D 8.25 4.42 0.00 2.72 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 0.00 147 Y 7.96 4.55 0.00 3.13 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 0.00 148 I 8.04 3.69 2.02 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 1.57 0.96 0.93 0.00 0.00 149 T 8.07 3.89 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 150 N 8.28 4.42 0.00 3.04 3.03 0.00 0.00 7.07 6.81 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 0.00 151 L 7.96 3.79 0.00 1.61 1.50 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.17 3.99 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.54 7.81 153 R 7.97 3.93 0.00 1.87 2.24 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 154 L 7.76 4.35 0.00 1.81 1.72 1.12 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 155 G 7.90 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 0.00 156 L 7.41 4.43 0.00 1.77 1.61 0.95 0.95 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 0.00 157 P 0.00 4.50 0.00 2.07 2.14 0.00 3.69 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 2.04 2.12 0.00 158 Q 8.12 4.00 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 159 N 8.31 4.74 0.00 2.86 2.88 0.00 0.00 7.05 7.43 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 0.00 160 G 8.45 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 8.22 4.24 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 162 G 8.29 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.17 4.00 0.00 2.13 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 2.41 2.37 0.00 164 Y 8.28 4.06 0.00 3.16 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 0.00 165 L 8.39 4.05 0.00 2.01 1.81 1.00 1.02 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 0.00 166 F 8.58 4.00 0.00 3.11 3.13 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 0.00 167 D 7.99 4.05 0.00 2.79 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 0.00 168 K 7.50 3.57 0.00 1.59 1.50 0.00 1.47 0.00 0.00 1.32 0.00 0.00 2.39 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.83 1.08 7.81 169 H 8.06 4.40 0.00 3.15 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.18 4.04 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 0.54 0.00 0.00 171 M 6.99 3.94 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.58 0.00 172 G 6.94 3.68 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 0.00 173 E 7.47 4.03 0.00 2.23 1.93 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 2.12 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.