NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2406 8.4449 121.4823 55.5797 31.2702 175.9224 3 Q 4.2212 8.9928 118.2445 55.6134 31.7823 171.8820 4 Y 4.3452 8.5974 122.1256 57.2189 39.4480 173.6707 5 Y 6.2311 8.4962 125.9273 55.1518 41.0337 174.6412 6 G 4.3318 8.1383 111.7546 43.5343 0.0000 171.2526 7 T 4.7518 8.0274 115.2904 61.9417 71.9107 173.9951 8 G 3.9655 8.9634 115.1827 44.9288 0.0000 172.3786 9 R 5.0492 8.5087 125.0416 54.4440 31.2128 172.1761 10 R 4.3157 8.6656 123.0436 54.7276 32.6434 174.4523 11 K 3.5368 9.7634 123.3365 58.3969 30.1953 173.6069 12 E 3.6771 8.1390 127.1885 55.6852 27.5106 175.2490 13 A 4.8968 6.8800 113.5700 52.0405 22.7385 176.9767 14 V 5.0930 8.2215 122.2774 61.5030 35.4701 174.2677 15 A 5.0967 9.1995 126.4514 50.3509 23.0582 175.2834 16 R 4.5522 9.0800 120.2440 55.3477 32.3838 176.0615 17 V 4.4643 8.1664 122.1752 61.0534 32.0058 174.3202 18 F 6.2771 8.3803 123.2085 55.9939 41.5071 174.4185 19 L 5.0755 8.5563 119.0736 53.7052 46.4774 175.5856 20 R 4.6466 8.6587 119.7497 54.1324 34.5686 171.5660 21 P 4.6913 0.0000 0.0000 63.0441 31.8274 175.2849 22 G 4.4579 8.1244 110.5197 46.3078 0.0000 171.1940 23 N 4.2413 8.7371 116.8629 57.3089 38.4942 175.8405 24 G 4.2987 8.0443 103.4321 44.8726 0.0000 173.1089 25 K 3.9020 8.0400 119.0349 57.6771 32.8238 176.5810 26 V 4.3169 8.3022 125.4567 62.4682 33.1154 174.6101 27 T 5.3405 8.3733 121.0451 62.2307 73.3536 173.2970 28 V 4.3505 8.7916 122.6951 62.8027 34.8520 174.2752 29 N 4.1162 10.2274 124.1668 53.9142 36.9156 174.6510 30 G 4.1800 8.6582 106.1172 45.2024 0.0000 173.5933 31 Q 4.4931 7.6925 117.2712 54.1683 31.9685 172.6156 32 D 4.8422 8.4768 121.7078 53.9174 41.5652 176.2068 33 F 4.2478 8.6271 128.0397 62.1545 40.0533 175.8267 34 N 4.7600 8.0537 118.3798 51.0710 37.0642 173.6960 35 E 4.7041 7.3029 117.8673 57.3054 36.1807 175.2223 36 Y 4.3233 7.2418 119.8735 60.1080 39.7364 176.0325 37 F 4.6241 7.1488 119.6364 56.5495 37.9225 176.4676 38 Q 3.9020 7.8816 121.3379 57.2922 29.4000 177.1574 39 G 3.9178 8.9750 108.6919 45.9454 0.0000 172.7574 40 L 3.8772 7.6673 120.0622 54.8734 41.5749 178.6143 41 V 3.8267 8.3045 120.4414 63.6297 30.8701 176.7378 42 R 4.4610 8.4642 114.7835 56.8901 31.8178 175.9231 43 A 3.7880 8.0179 120.7440 55.2463 18.4933 180.8488 44 V 4.1127 7.7705 104.8221 62.5192 31.7424 178.2085 45 A 3.9851 8.1042 124.8803 54.9326 18.2625 179.7046 46 A 4.1440 7.9908 117.5330 53.7530 18.6902 178.4969 47 L 4.2495 7.4338 116.4697 55.0482 42.0075 177.9860 48 E 3.8985 7.7522 120.3530 58.8042 29.3186 176.6008 49 P 3.0634 0.0000 0.0000 64.2809 31.5430 177.0344 50 L 4.3783 7.5985 118.2650 55.3429 42.0638 177.6295 51 R 4.3700 7.7164 116.7946 56.3598 29.7840 176.7144 52 A 4.6636 7.7160 122.2572 53.5051 21.2930 178.6913 53 V 3.7442 7.7940 107.9858 61.6483 30.9239 176.4305 54 D 5.6431 8.1705 134.9176 55.6223 43.6546 177.8550 55 A 4.4568 7.6286 124.9316 50.8443 17.3923 177.0401 56 L 4.5076 7.7514 119.5388 54.5408 42.9719 176.8927 57 G 4.0817 7.3940 103.2652 46.2966 0.0000 173.5992 *58 H 4.5179 8.0239 114.8971 54.9101 30.1634 174.2730 59 F 5.0971 7.5258 116.9254 55.9162 43.4741 174.1629 60 D 4.8636 10.1916 124.6533 52.7004 39.1625 175.5985 61 A 4.8512 7.9271 121.4943 51.6677 18.0338 176.7934 62 Y 4.5107 8.5402 121.9494 58.5959 40.6079 174.3772 63 I 4.2100 7.2266 122.6784 60.6822 42.6890 173.5100 64 T 5.1081 7.8898 117.3661 60.7348 71.0592 172.8607 65 V 4.8567 8.9880 127.8072 60.1227 34.0657 175.0231 66 R 4.6541 9.0673 123.6759 54.7676 33.7891 173.8616 67 G 3.8591 9.9975 113.6619 46.2459 0.0000 172.2512 68 G 4.1746 8.7999 103.5752 43.6902 0.0000 173.6776 69 G 4.2227 8.4479 106.0605 42.1865 0.0000 173.4639 70 K 3.7440 8.6922 121.7136 59.0145 31.9857 179.2814 71 S 3.9865 7.8602 112.8264 60.7920 62.7875 175.8704 72 G 3.9444 8.0823 107.8280 48.0375 0.0000 175.4738 73 Q 3.9797 8.3480 120.2477 59.0022 28.8057 178.4714 74 I 3.4583 6.9218 120.4439 64.6386 36.8718 178.2457 75 D 4.3120 8.3401 118.5644 57.0022 40.7455 178.4942 76 A 4.1430 7.8658 121.4355 54.9816 18.6982 179.3109 77 I 3.5291 8.5077 118.7504 64.7295 37.6175 178.2412 78 K 3.8933 8.1105 121.4355 58.6074 31.4752 178.2957 79 L 4.0349 8.5989 121.0455 57.6970 42.3277 178.6877 80 G 3.7125 7.9815 105.1706 48.0552 0.0000 175.3280 81 I 3.6550 7.9950 121.5962 62.9574 36.8959 177.7696 82 A 4.1580 6.9563 119.5719 53.9057 19.4920 178.8458 83 R 4.2198 8.6189 112.8224 57.1849 30.0054 176.3067 84 A 4.6271 7.9188 117.8609 53.6397 20.6603 178.8927 85 L 3.9160 7.1940 115.9748 57.6601 40.5980 178.7788 86 V 4.8232 7.4598 121.3583 64.0146 32.0224 176.9948 87 Q 4.0123 8.0633 119.2048 59.5145 28.9448 177.2725 88 Y 4.4245 8.1222 116.6756 58.4484 38.6868 176.3858 89 N 4.7906 8.0317 118.2814 52.2034 40.9238 173.3046 90 P 4.4946 0.0000 0.0000 64.9945 32.0195 177.9080 91 D 4.4771 8.1776 118.3380 57.1962 40.6923 176.7846 92 Y 4.2950 8.1070 118.3341 57.7433 37.3575 177.1982 93 R 3.9247 7.9486 122.8404 59.2322 31.0169 178.2323 94 A 4.2979 8.0637 114.7863 52.6976 16.9341 177.5686 95 K 4.5090 8.7207 119.6847 58.9329 34.8164 178.2945 96 L 4.3433 7.6166 117.9270 56.7612 42.1508 177.5314 97 K 4.1648 7.6624 118.9492 57.8049 32.2621 176.1944 98 P 4.1922 0.0000 0.0000 65.7082 31.6955 178.3808 99 L 4.1232 7.2380 114.1749 54.7265 41.9970 174.1634 100 G 3.7250 7.9084 112.4177 46.0648 0.0000 172.7434 101 F 5.1098 8.7363 121.2868 57.1709 45.7511 174.5171 102 L 4.5633 7.7686 121.9331 53.9486 41.6477 175.0856 103 T 4.5536 7.7991 119.9027 62.5688 72.5690 174.5470 104 R 3.9332 8.8025 125.4610 57.8986 30.6737 175.3985 105 D 4.2374 8.1138 117.9562 54.2187 38.3769 173.4732 106 A 4.0822 8.0509 123.1403 53.4234 18.9274 176.8848 107 R 4.0581 7.1050 116.7139 55.8375 29.6692 175.1785 108 V 4.4043 7.6448 113.3817 58.4963 34.7080 176.0818 109 V 3.5243 8.5068 123.3068 63.5811 31.6216 175.3139 110 E 4.4144 8.6190 124.6419 54.8995 31.0649 175.5221 111 R 3.6481 8.0041 119.8889 55.7693 31.1114 175.3535 112 K 4.2668 8.3801 125.0976 55.0799 32.6808 176.5124 113 K 4.2232 8.3168 126.1150 54.9920 33.6930 175.5991 114 Y 4.3584 8.0806 118.4474 57.8059 38.8169 175.7987 115 G 3.8661 9.3721 110.0273 45.9268 0.0000 174.1020 116 K 5.0094 7.4819 118.5639 53.9623 33.7412 176.9256 117 H 3.8802 8.3421 121.2631 58.2981 29.1693 175.8214 118 K 4.2016 7.9411 120.2476 55.5228 33.2380 175.3580 119 A 3.9978 8.2279 125.4871 52.4644 17.6906 177.8135 120 R 4.4656 7.4859 111.4355 55.1793 32.4598 176.2749 121 R 3.9439 8.1308 119.1523 56.1551 29.0952 174.9535 122 A 4.4815 8.3034 128.7412 50.4481 19.3259 175.5421 123 P 4.4728 0.0000 0.0000 62.6306 31.6098 174.9772 124 Q 4.2416 8.3648 119.1674 55.2932 29.4966 174.7625 125 Y 4.3605 8.5820 126.8823 57.7097 41.0131 173.3615 126 S 4.3885 9.0546 125.7157 58.3958 61.3472 175.6868 127 K 4.1693 9.8618 127.5750 57.2856 30.9340 174.6990 128 R 4.2400 7.5360 119.2600 56.6825 29.5079 174.8444 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 2 E 8.44 4.24 0.00 1.95 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 2.20 2.28 0.00 3 Q 8.99 4.22 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 4 Y 8.60 4.35 0.00 2.81 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 5 Y 8.50 6.23 0.00 3.17 3.03 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 6 G 8.14 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 0.00 0.00 0.00 0.00 7 T 8.03 4.75 4.15 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 1.21 0.00 0.00 8 G 8.96 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 9 R 8.51 5.05 0.00 1.76 1.79 0.00 3.19 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 10 R 8.67 4.32 0.00 1.82 1.75 0.00 3.56 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 11 K 9.76 3.54 0.00 1.84 1.74 0.00 1.97 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.43 7.81 12 E 8.14 3.68 0.00 2.14 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 2.32 2.23 0.00 13 A 6.88 4.90 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 14 V 8.22 5.09 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 1.15 0.00 0.00 0.94 0.00 0.00 15 A 9.20 5.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 9.08 4.55 0.00 1.62 1.35 0.00 3.04 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 17 V 8.17 4.46 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.84 0.00 0.00 18 F 8.38 6.28 0.00 3.37 2.98 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 19 L 8.56 5.08 0.00 1.67 1.39 0.64 0.57 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 20 R 8.66 4.65 0.00 1.86 1.86 0.00 3.38 0.00 0.00 3.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 21 P 0.00 4.69 0.00 1.92 1.90 0.00 3.90 0.00 0.00 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 22 G 8.12 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 0.00 0.00 0.00 0.00 23 N 8.74 4.24 0.00 2.72 2.90 0.00 0.00 6.96 7.65 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 24 G 8.04 4.30 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 0.00 25 K 8.04 3.90 0.00 1.80 1.93 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.48 7.81 26 V 8.30 4.32 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 0.97 0.00 0.00 0.88 0.00 0.00 27 T 8.37 5.34 4.31 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 1.33 0.00 0.00 28 V 8.79 4.35 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 0.94 0.00 0.00 0.99 0.00 0.00 29 N 10.23 4.12 0.00 2.47 2.70 0.00 0.00 7.34 7.58 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 30 G 8.66 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 0.00 0.00 0.00 0.00 31 Q 7.69 4.49 0.00 1.91 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 32 D 8.48 4.84 0.00 2.74 2.54 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 33 F 8.63 4.25 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.05 4.76 0.00 2.71 2.75 0.00 0.00 6.93 7.56 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 35 E 7.30 4.70 0.00 1.87 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 2.21 2.25 0.00 36 Y 7.24 4.32 0.00 2.53 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 0.00 0.00 0.00 37 F 7.15 4.62 0.00 2.67 2.58 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 38 Q 7.88 3.90 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.07 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 39 G 8.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.67 3.88 0.00 1.61 1.50 0.79 0.59 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 41 V 8.30 3.83 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 0.74 0.00 0.00 0.90 0.00 0.00 42 R 8.46 4.46 0.00 1.65 1.70 0.00 3.28 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 43 A 8.02 3.79 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.77 4.11 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 0.92 0.00 0.00 0.97 0.00 0.00 45 A 8.10 3.99 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 46 A 7.99 4.14 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 47 L 7.43 4.25 0.00 1.82 1.61 0.38 0.44 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 48 E 7.75 3.90 0.00 2.15 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 2.55 2.54 0.00 49 P 0.00 3.06 0.00 1.87 1.65 0.00 3.57 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 50 L 7.60 4.38 0.00 1.74 1.85 0.80 0.58 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 51 R 7.72 4.37 0.00 1.96 1.98 0.00 3.14 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 1.68 1.63 0.00 52 A 7.72 4.66 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 53 V 7.79 3.74 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 0.53 0.00 0.00 0.89 0.00 0.00 54 D 8.17 5.64 0.00 2.78 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 55 A 7.63 4.46 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 56 L 7.75 4.51 0.00 1.59 1.66 0.92 1.05 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 57 G 7.39 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 *58 H 8.02 4.52 0.00 2.02 2.32 0.00 7.17 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.53 5.10 0.00 2.87 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 60 D 10.19 4.86 0.00 2.75 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 61 A 7.93 4.85 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 62 Y 8.54 4.51 0.00 3.18 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 63 I 7.23 4.21 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.08 0.83 0.00 0.00 64 T 7.89 5.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 65 V 8.99 4.86 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 1.05 0.00 0.00 1.08 0.00 0.00 66 R 9.07 4.65 0.00 1.76 1.85 0.00 3.28 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 67 G 10.00 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 68 G 8.80 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.45 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 0.00 0.00 0.00 0.00 70 K 8.69 3.74 0.00 1.75 1.78 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.55 7.81 71 S 7.86 3.99 0.00 3.79 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 72 G 8.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.35 3.98 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 74 I 6.92 3.46 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.04 0.85 0.00 0.00 75 D 8.34 4.31 0.00 2.67 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 76 A 7.87 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.51 3.53 1.90 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.91 0.00 0.00 78 K 8.11 3.89 0.00 1.86 2.05 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.44 1.26 7.81 79 L 8.60 4.03 0.00 1.67 1.72 0.99 1.15 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 80 G 7.98 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.00 3.66 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.12 0.70 0.00 0.00 82 A 6.96 4.16 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 83 R 8.62 4.22 0.00 1.66 1.99 0.00 3.32 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 1.50 1.59 0.00 84 A 7.92 4.63 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 85 L 7.19 3.92 0.00 1.59 1.50 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.46 4.82 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 0.83 0.00 0.00 0.99 0.00 0.00 87 Q 8.06 4.01 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 88 Y 8.12 4.42 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.03 4.79 0.00 2.91 3.09 0.00 0.00 6.72 8.07 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 90 P 0.00 4.49 0.00 2.22 2.22 0.00 3.88 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 2.05 2.02 0.00 91 D 8.18 4.48 0.00 2.50 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 92 Y 8.11 4.30 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.95 3.92 0.00 2.12 1.92 0.00 3.28 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 94 A 8.06 4.30 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 95 K 8.72 4.51 0.00 2.03 2.11 0.00 1.32 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.63 7.81 96 L 7.62 4.34 0.00 1.86 1.77 1.02 0.30 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 97 K 7.66 4.16 0.00 1.88 1.72 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 98 P 0.00 4.19 0.00 2.04 2.09 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 99 L 7.24 4.12 0.00 1.65 1.65 0.52 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.91 3.72 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 0.00 0.00 0.00 101 F 8.74 5.11 0.00 3.19 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.77 4.56 0.00 1.63 1.63 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.80 4.55 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 0.00 104 R 8.80 3.93 0.00 1.80 1.99 0.00 3.55 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 105 D 8.11 4.24 0.00 2.87 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 0.00 106 A 8.05 4.08 1.29 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 0.00 0.00 107 R 7.11 4.06 0.00 1.76 1.96 0.00 3.10 0.00 0.00 3.63 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 108 V 7.64 4.40 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 0.77 0.00 0.00 1.01 0.00 0.00 109 V 8.51 3.52 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 0.93 0.00 0.00 110 E 8.62 4.41 0.00 2.10 1.92 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 2.23 2.28 0.00 111 R 8.00 3.65 0.00 1.76 1.85 0.00 3.16 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 112 K 8.38 4.27 0.00 1.74 1.68 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 113 K 8.32 4.22 0.00 1.82 1.85 0.00 1.80 0.00 0.00 2.02 0.00 0.00 3.16 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.40 7.81 114 Y 8.08 4.36 0.00 2.97 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 0.00 115 G 9.37 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.48 5.01 0.00 1.78 1.78 0.00 2.09 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.50 7.81 117 H 8.34 3.88 0.00 3.17 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.94 4.20 0.00 1.78 1.71 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.43 7.81 119 A 8.23 4.00 1.32 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 0.00 0.00 120 R 7.49 4.47 0.00 1.78 1.94 0.00 3.23 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 1.53 1.58 0.00 121 R 8.13 3.94 0.00 1.84 1.99 0.00 3.30 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 122 A 8.30 4.48 1.29 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 0.00 0.00 123 P 0.00 4.47 0.00 2.24 2.27 0.00 3.83 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 2.01 1.98 0.00 124 Q 8.36 4.24 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 Y 8.58 4.36 0.00 2.99 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 0.00 126 S 9.05 4.39 0.00 3.96 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 0.00 127 K 9.86 4.17 0.00 2.55 2.05 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.52 7.81 128 R 7.54 4.24 0.00 1.92 1.83 0.00 3.43 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.