NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7669 8.3544 109.7390 45.5355 0.0000 172.6189 *2 H 4.1997 7.7509 118.7042 56.0423 31.3010 172.1217 3 V 4.2802 7.7658 125.3744 61.1179 33.0342 174.1972 4 Y 4.7500 8.5491 124.1481 56.1418 40.4446 174.7830 5 E 4.8296 8.7515 123.4416 54.7320 32.7426 174.8704 6 S 4.7761 8.2078 115.2462 57.6764 66.6171 172.5151 7 D 5.0511 9.0659 118.5614 52.6143 44.9586 175.4732 8 V 5.0706 8.3905 120.7816 61.4299 34.4190 174.3584 9 S 4.9930 8.9858 121.9424 56.0074 66.6201 173.0827 10 W 4.9074 8.8126 131.2811 57.2670 30.4928 175.6540 11 I 3.7840 7.9714 129.3225 61.5454 37.4241 176.3347 12 D 3.3700 7.4028 116.1807 52.9437 42.5748 177.1633 13 D 4.2352 8.3918 120.3283 56.3268 40.3390 176.2219 14 R 4.9403 8.5169 120.3651 57.2603 29.8710 174.9329 15 R 5.9708 8.9106 117.8293 53.7602 33.9727 176.4432 16 T 5.2434 8.9346 112.0365 59.8739 72.9776 172.1315 17 E 5.0220 9.0724 123.9805 54.5299 32.3628 174.7014 18 V 4.6413 9.1944 127.8557 62.0971 33.5376 174.6026 19 S 5.2714 9.3581 124.0540 56.7665 65.9614 173.2286 20 V 4.5251 8.3669 124.4864 60.5334 34.2007 175.5605 21 G 3.7720 8.9991 118.5344 47.4273 0.0000 174.2522 22 D 4.6262 8.7265 123.9499 54.4984 41.4422 175.9507 23 H 4.5244 8.3314 118.6794 55.4982 29.4095 174.2762 24 R 5.2066 8.4793 121.9592 54.4970 33.1859 175.0388 25 I 4.6213 8.9425 124.0160 59.4669 41.3404 173.9200 26 E 4.7150 8.8934 128.3329 55.5372 30.6937 175.5380 27 V 4.6917 9.0178 126.8416 61.4071 34.9725 173.9545 28 D 5.5726 9.3511 126.6764 52.1260 45.7066 175.3100 29 S 4.7080 8.7781 116.2083 58.2322 64.2182 173.0784 30 P 3.0626 0.0000 0.0000 60.9497 32.2979 175.4278 31 P 4.5726 0.0000 0.0000 64.8766 31.2057 178.7956 32 E 3.7687 7.7916 114.4190 58.3035 29.2901 177.3393 33 F 4.9756 7.9669 117.6313 57.2373 39.6930 175.7473 34 G 3.8761 8.3864 107.6961 45.5685 0.0000 174.3474 35 G 4.6089 7.8229 108.4450 42.1486 0.0000 171.8074 36 P 4.7619 0.0000 0.0000 61.8292 32.3130 176.0762 37 E 4.2999 7.9146 118.2059 57.0230 30.0246 177.0952 38 G 3.9051 9.0482 108.3233 46.2332 0.0000 172.9334 39 Q 4.6552 7.5587 116.2437 52.9851 32.7859 175.2785 40 L 3.8884 8.1007 119.9770 55.2575 42.4786 176.0106 41 Y 5.8685 7.9013 117.1512 54.0029 42.1686 174.9712 42 P 4.4899 0.0000 0.0000 65.9390 31.2407 178.8997 43 E 4.5520 8.6677 116.4926 59.0154 29.6515 178.3071 44 T 4.4268 7.9877 108.7370 63.3985 69.9916 176.5840 45 L 3.9583 8.3620 123.6035 57.6895 42.0632 178.7649 46 F 4.2626 8.4767 120.6392 60.9930 39.4242 175.3728 47 P 3.5102 0.0000 0.0000 65.3961 30.9594 178.7625 48 S 4.0767 7.9291 114.0215 61.5658 62.6450 176.9368 49 V 3.5386 8.0652 121.2552 65.4572 31.1383 177.6026 50 L 3.7898 7.9508 120.3239 58.3385 41.8533 179.0049 51 A 3.9693 7.8928 120.3574 55.1069 18.2495 179.5293 52 S 3.9568 8.3219 112.0194 61.6108 62.3811 175.9766 53 C 3.9556 8.2402 123.1228 61.6063 31.1662 175.0081 54 L 3.9091 8.0508 122.3004 58.1971 41.5255 178.8922 55 L 3.0792 7.7474 120.1107 58.1720 41.6927 179.0012 56 T 3.7642 8.1008 110.1258 65.0014 68.2446 176.5516 57 T 3.9151 8.1272 118.7574 66.3869 68.5261 176.2439 58 F 4.1453 8.3745 122.7266 61.5480 39.2570 177.1604 59 L 4.0391 8.2713 118.7274 57.7455 41.4119 179.4397 60 E 3.8016 7.7988 118.2263 59.4085 29.1369 179.4203 61 F 4.1433 7.6846 116.8587 60.0637 39.1866 177.6805 62 K 3.9162 8.1338 119.1284 59.9278 32.0738 179.1244 63 D 4.3453 7.5983 119.0869 56.9134 40.7600 179.2960 64 R 4.0687 7.4187 113.9940 56.7753 29.8888 177.2587 *66 G 3.8185 7.8920 105.9610 45.2899 0.0000 173.2312 67 I 4.0859 7.8186 120.7794 60.3766 38.1450 175.7669 68 N 4.6925 9.4184 126.4386 52.1613 39.4956 173.1224 69 L 4.6137 8.4416 128.8111 54.8174 42.5007 176.0818 70 K 4.5774 9.4158 126.3568 58.2826 33.4711 176.9176 71 S 4.8043 7.8588 111.8104 57.3049 66.4362 173.5767 72 W 5.3887 8.5410 130.7452 56.5325 33.4408 173.4418 73 N 5.3757 8.9972 124.4775 51.4956 42.1432 173.6657 74 S 5.0109 8.6902 116.2286 56.8553 66.5669 172.3931 75 H 4.9171 9.1533 122.3439 54.4234 32.0804 172.9353 76 V 4.8774 8.0998 125.1426 61.1559 34.0373 174.4725 77 T 4.6225 8.9823 117.6475 59.8958 71.2756 172.3984 78 A 5.2625 8.7623 128.1695 49.9876 21.4738 175.1551 79 E 4.6587 9.4519 122.2224 54.4702 32.3322 174.8563 80 L 4.9446 8.5331 126.7332 53.7919 44.3635 175.2499 81 G 4.1876 8.9566 111.0773 44.7324 0.0000 170.4022 82 P 4.7268 0.0000 0.0000 63.0081 32.0915 176.0526 83 S 4.7898 8.4830 116.7913 55.6745 63.9167 173.3652 84 P 4.3643 0.0000 0.0000 65.1038 31.1056 176.5799 85 E 4.2778 8.1247 118.1203 55.7692 29.3254 176.6333 86 K 3.9246 7.8973 117.5256 56.5564 32.5723 177.8130 87 G 3.3830 7.9560 106.3628 46.0780 0.0000 172.4094 88 F 5.5905 8.2980 120.0269 55.8817 43.4244 174.2035 89 K 4.7433 9.1145 118.3635 55.3154 36.4422 175.3587 90 F 4.5513 8.8628 120.4605 58.6361 39.0144 175.0054 91 H 4.6552 9.6928 121.9823 58.2953 30.0548 175.8238 92 R 5.3207 7.9417 115.4015 54.8447 34.9429 174.1400 93 I 5.0067 9.0994 123.6009 59.4973 40.7320 174.4289 94 K 5.0327 9.2597 126.7113 54.6357 35.1133 175.3750 95 I 4.8279 8.7949 124.8853 59.8870 40.6775 173.7479 96 H 5.3128 9.1311 128.1585 53.6721 31.7596 173.2013 97 V 4.2253 8.4037 126.6165 61.0235 33.6901 174.4451 98 K 4.6326 8.7511 127.8036 54.9947 33.8726 175.1866 99 I 4.6984 8.4847 127.1622 59.3314 39.8492 175.0393 100 G 4.4281 9.0791 115.1042 43.9232 0.0000 172.9600 101 V 5.1405 8.2770 118.0302 58.9675 36.1798 175.2690 102 N 4.2200 8.2186 119.4001 54.2560 39.1101 175.9873 103 D 4.2150 9.0756 122.8867 57.6317 40.7057 179.0663 104 E 4.0699 8.0937 116.1949 58.6665 30.0024 177.7693 105 D 4.6594 8.1518 119.1022 54.9365 41.2862 178.4475 106 K 3.9260 7.7238 120.0719 59.1973 31.7712 178.8196 107 E 4.1466 8.1385 115.6718 58.5844 29.9386 177.7488 108 K 4.3075 8.0256 118.4882 57.7320 32.7287 178.9886 109 I 3.9459 7.7101 120.1089 63.6499 37.0249 175.8838 110 P 4.5405 0.0000 0.0000 65.7858 31.4176 178.2530 111 R 4.0859 8.0223 116.6573 59.1044 29.9939 178.5142 112 A 3.9573 7.8745 118.0037 53.2853 18.3204 178.6545 *114 Q 4.2309 8.2112 120.8120 57.5344 30.9837 177.4509 115 L 3.8497 8.0912 117.7104 57.6144 41.4216 179.2706 116 A 4.2172 8.0960 120.8686 55.4295 18.1490 179.3829 117 E 3.9512 8.1206 116.0270 59.0760 29.8807 178.3951 118 K 3.9565 8.1434 119.2214 59.4266 32.4063 177.7847 119 Y 4.4876 7.8882 114.1717 57.5300 38.6094 175.4674 120 C 4.0821 8.0711 121.1092 58.9364 32.0765 174.4392 121 F 4.3859 8.3302 123.0126 59.9101 37.4351 177.6463 122 I 3.8996 7.1510 119.5164 64.1419 37.1737 177.7901 123 S 4.5044 7.9003 116.9508 61.1928 62.5618 176.7503 124 R 3.9403 8.3126 120.4966 59.3514 29.5915 179.0195 125 A 4.1058 7.9872 119.7376 54.0318 18.6114 178.5838 126 I 4.2872 7.4033 109.7741 59.5346 38.3258 175.5101 127 R 3.9741 7.0050 121.2505 58.5272 30.1749 176.5794 128 N 4.6032 8.9857 120.1827 53.6280 37.1435 174.5381 129 N 4.8732 8.2269 113.8645 53.3521 40.6144 175.1446 130 V 4.5912 7.4349 116.1969 60.8156 34.9579 174.5796 131 E 4.2434 9.0915 129.0190 55.9593 30.5341 174.6517 132 E 5.0606 8.8666 127.4158 54.5100 32.5335 174.2886 133 I 4.5477 8.8043 128.0991 59.7075 40.0232 174.4455 134 V 4.9038 8.4020 127.5520 61.0928 32.8517 174.3238 135 D 5.0283 8.8755 126.4066 52.4579 43.4833 173.2583 136 Y 4.7524 7.5026 115.4853 55.8672 40.8317 173.5879 137 E 4.4753 8.7599 117.4694 54.5980 33.5446 174.4361 138 F 5.2546 8.4691 119.3660 57.1915 40.1959 176.2432 139 V 4.1696 8.8244 114.6911 61.6918 32.6475 175.4397 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 0 G 8.35 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 *2 H 7.75 4.20 0.00 3.09 3.25 0.00 5.89 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 3 V 7.77 4.28 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 0.85 0.00 0.00 0.86 0.00 0.00 4 Y 8.55 4.75 0.00 2.99 2.82 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 0.00 0.00 0.00 5 E 8.75 4.83 0.00 1.93 1.84 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 2.21 2.26 0.00 6 S 8.21 4.78 0.00 3.98 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 7 D 9.07 5.05 0.00 2.61 2.57 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 8 V 8.39 5.07 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 0.89 0.00 0.00 0.97 0.00 0.00 9 S 8.99 4.99 0.00 3.99 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 10 W 8.81 4.91 0.00 3.15 3.23 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 11 I 7.97 3.78 1.79 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.81 0.00 0.00 12 D 7.40 3.37 0.00 2.57 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 0.00 0.00 0.00 0.00 13 D 8.39 4.24 0.00 2.87 2.24 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 14 R 8.52 4.94 0.00 1.81 1.98 0.00 3.28 0.00 0.00 3.43 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 15 R 8.91 5.97 0.00 1.89 1.88 0.00 3.42 0.00 0.00 3.36 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.44 0.00 16 T 8.93 5.24 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 17 E 9.07 5.02 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 18 V 9.19 4.64 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 19 S 9.36 5.27 0.00 3.75 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 20 V 8.37 4.53 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 1.09 0.00 0.00 0.97 0.00 0.00 21 G 9.00 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 22 D 8.73 4.63 0.00 2.57 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.33 4.52 0.00 3.30 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.48 5.21 0.00 1.66 1.96 0.00 3.47 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 25 I 8.94 4.62 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.96 0.92 0.00 0.00 26 E 8.89 4.72 0.00 1.99 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 2.34 2.59 0.00 27 V 9.02 4.69 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 28 D 9.35 5.57 0.00 2.88 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 29 S 8.78 4.71 0.00 3.88 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 30 P 0.00 3.06 0.00 1.72 1.43 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 31 P 0.00 4.57 0.00 2.05 2.08 0.00 3.42 0.00 0.00 3.00 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 32 E 7.79 3.77 0.00 1.47 1.67 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 1.59 1.47 0.00 33 F 7.97 4.98 0.00 2.94 2.86 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 34 G 8.39 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 0.00 0.00 0.00 35 G 7.82 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.76 0.00 2.27 2.12 0.00 3.94 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 2.19 2.06 0.00 37 E 7.91 4.30 0.00 2.03 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 2.23 0.00 38 G 9.05 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 39 Q 7.56 4.66 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 40 L 8.10 3.89 0.00 1.70 1.51 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.90 5.87 0.00 3.01 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 42 P 0.00 4.49 0.00 2.35 2.26 0.00 3.82 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 43 E 8.67 4.55 0.00 2.12 2.22 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 2.36 2.51 0.00 44 T 7.99 4.43 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 1.35 0.00 0.00 45 L 8.36 3.96 0.00 1.92 1.80 0.93 0.79 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 46 F 8.48 4.26 0.00 3.11 3.30 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 47 P 0.00 3.51 0.00 2.04 1.79 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.69 0.00 48 S 7.93 4.08 0.00 4.06 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 49 V 8.07 3.54 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 1.09 0.00 0.00 0.97 0.00 0.00 50 L 7.95 3.79 0.00 1.50 1.58 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.89 3.97 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 52 S 8.32 3.96 0.00 3.85 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 53 C 8.24 3.96 0.00 2.78 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 54 L 8.05 3.91 0.00 1.79 1.91 1.01 0.94 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 55 L 7.75 3.08 0.00 1.39 1.57 -0.40 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.10 3.76 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 1.18 0.00 0.00 57 T 8.13 3.92 4.46 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 1.59 0.00 0.00 58 F 8.37 4.15 0.00 3.17 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 59 L 8.27 4.04 0.00 1.78 1.63 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.80 3.80 0.00 1.86 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 61 F 7.68 4.14 0.00 2.96 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 62 K 8.13 3.92 0.00 1.82 1.33 0.00 1.16 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.52 7.81 63 D 7.60 4.35 0.00 2.68 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 64 R 7.42 4.07 0.00 1.93 1.93 0.00 2.78 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 1.54 1.56 0.00 *66 G 7.89 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.82 4.09 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 1.02 0.00 0.00 68 N 9.42 4.69 0.00 2.77 2.75 0.00 0.00 6.57 7.52 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 69 L 8.44 4.61 0.00 1.88 1.68 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.42 4.58 0.00 1.72 1.88 0.00 1.81 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 71 S 7.86 4.80 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.54 5.39 0.00 3.34 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.00 5.38 0.00 2.60 2.62 0.00 0.00 6.05 7.01 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 74 S 8.69 5.01 0.00 3.76 3.67 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 75 H 9.15 4.92 0.00 3.25 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.10 4.88 1.99 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 0.89 0.00 0.00 0.88 0.00 0.00 77 T 8.98 4.62 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 78 A 8.76 5.26 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 79 E 9.45 4.66 0.00 1.94 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 2.25 0.00 80 L 8.53 4.94 0.00 1.47 1.43 0.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.73 0.00 2.10 1.98 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 83 S 8.48 4.79 0.00 3.83 3.82 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 0.00 0.00 0.00 84 P 0.00 4.36 0.00 2.20 2.16 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 85 E 8.12 4.28 0.00 1.95 1.97 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 2.28 2.25 0.00 86 K 7.90 3.92 0.00 1.88 1.78 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.31 7.81 87 G 7.96 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 0.00 0.00 0.00 88 F 8.30 5.59 0.00 2.83 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 89 K 9.11 4.74 0.00 1.86 1.89 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.49 7.81 90 F 8.86 4.55 0.00 3.14 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 91 H 9.69 4.66 0.00 3.26 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.94 5.32 0.00 1.77 1.80 0.00 3.28 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 93 I 9.10 5.01 1.78 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.76 0.00 0.00 94 K 9.26 5.03 0.00 1.72 1.68 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.25 7.81 95 I 8.79 4.83 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.72 0.91 0.00 0.00 96 H 9.13 5.31 0.00 3.21 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.40 4.23 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 -1.05 0.00 0.00 0.46 0.00 0.00 98 K 8.75 4.63 0.00 1.56 1.64 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.29 7.81 99 I 8.48 4.70 1.76 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.10 1.02 0.00 0.00 100 G 9.08 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 0.00 0.00 0.00 0.00 101 V 8.28 5.14 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 0.95 0.00 0.00 0.92 0.00 0.00 102 N 8.22 4.22 0.00 2.89 2.91 0.00 0.00 7.27 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 0.00 103 D 9.08 4.22 0.00 2.63 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 E 8.09 4.07 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 105 D 8.15 4.66 0.00 2.85 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 0.00 106 K 7.72 3.93 0.00 1.67 1.52 0.00 1.31 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.18 7.81 107 E 8.14 4.15 0.00 2.10 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 2.29 2.36 0.00 108 K 8.03 4.31 0.00 2.03 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.42 7.81 109 I 7.71 3.95 2.32 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.12 0.61 0.00 0.00 110 P 0.00 4.54 0.00 2.10 2.24 0.00 3.97 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 2.16 2.39 0.00 111 R 8.02 4.09 0.00 1.89 1.92 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 112 A 7.87 3.96 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 *114 Q 8.21 4.23 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 115 L 8.09 3.85 0.00 1.12 0.13 0.63 0.88 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 0.00 116 A 8.10 4.22 1.65 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 0.00 117 E 8.12 3.95 0.00 2.02 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 2.30 2.38 0.00 118 K 8.14 3.96 0.00 1.71 1.79 0.00 1.67 0.00 0.00 1.37 0.00 0.00 2.51 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.62 1.18 7.81 119 Y 7.89 4.49 0.00 3.49 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 0.00 120 C 8.07 4.08 0.00 3.14 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 0.00 121 F 8.33 4.39 0.00 3.32 3.33 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 0.00 122 I 7.15 3.90 1.77 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.22 1.05 0.00 0.00 123 S 7.90 4.50 0.00 4.07 3.99 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 0.00 124 R 8.31 3.94 0.00 2.12 2.04 0.00 3.39 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 125 A 7.99 4.11 1.47 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 0.00 0.00 0.00 126 I 7.40 4.29 1.97 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 1.74 0.74 1.12 0.00 0.00 127 R 7.00 3.97 0.00 1.97 1.92 0.00 3.38 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 128 N 8.99 4.60 0.00 2.95 3.02 0.00 0.00 6.89 8.00 0.00 0.00 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 N 8.23 4.87 0.00 2.83 2.88 0.00 0.00 6.63 7.26 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 0.00 130 V 7.43 4.59 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 0.90 0.00 0.00 1.11 0.00 0.00 131 E 9.09 4.24 0.00 2.15 1.97 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 2.32 2.27 0.00 132 E 8.87 5.06 0.00 2.06 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 2.38 2.27 0.00 133 I 8.80 4.55 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 0.90 0.00 0.00 134 V 8.40 4.90 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 0.86 0.00 0.00 1.00 0.00 0.00 135 D 8.88 5.03 0.00 2.64 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 0.00 136 Y 7.50 4.75 0.00 2.59 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 0.00 137 E 8.76 4.48 0.00 1.91 1.91 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 2.04 2.19 0.00 138 F 8.47 5.25 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.82 4.17 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 0.84 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.