NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.3621 8.0285 117.3906 63.2129 70.3116 174.0798 13 A 4.5350 9.1732 129.8696 53.4085 18.3397 178.5148 14 T 3.9500 8.7569 109.2099 65.0622 69.3919 175.0597 15 Q 4.0664 8.0796 120.4608 58.7621 28.8042 178.5831 16 R 4.0293 8.1443 119.2847 59.1577 30.0809 179.0780 17 L 4.0531 8.1550 118.9721 57.4189 41.7624 179.4530 18 K 4.0850 8.3372 118.6344 59.6704 32.0229 179.2365 19 Q 4.0943 8.0388 117.6306 59.3165 28.7229 178.7570 20 D 4.4893 8.4838 119.8119 57.3434 40.7619 178.4398 21 Y 4.5148 8.3830 120.2316 60.9258 38.8697 177.6791 22 L 3.9161 7.9802 119.5338 57.8887 41.7677 179.6592 23 R 3.8697 8.2035 118.4854 59.5357 29.9619 178.4527 24 I 3.8415 8.0200 118.2839 63.7057 37.7378 177.9319 25 K 3.9253 7.7660 118.9629 58.8240 31.9446 178.9185 26 K 4.1613 8.1075 119.5949 58.1122 33.5635 176.6117 27 D 4.8195 7.7841 116.6866 51.3161 40.8108 172.8345 28 P 4.7463 0.0000 0.0000 61.9117 32.2805 176.2625 29 V 4.5183 7.8929 112.0760 58.5567 34.4180 173.9100 30 P 4.0341 0.0000 0.0000 64.4754 31.6868 176.6142 31 Y 3.7841 8.3750 117.3560 58.4850 36.0210 168.8845 32 I 5.2729 7.4289 119.3873 59.6188 40.4276 174.6366 33 C 5.1138 9.0952 124.6421 57.7294 35.1146 172.5383 34 A 5.7607 8.9585 125.8332 50.6153 22.2460 175.1056 35 E 4.6694 9.6869 120.6070 53.7235 33.8046 173.6066 36 P 4.2603 0.0000 0.0000 61.9663 32.4957 176.3211 37 L 3.9604 8.6067 122.7695 54.1874 42.0315 176.9873 38 P 4.1065 0.0000 0.0000 65.0676 31.3939 177.1174 39 S 4.3967 7.6320 111.0925 57.8124 63.8987 173.5322 40 N 4.3047 7.8148 117.0981 53.2085 40.4772 174.6170 41 I 3.8056 8.4360 127.1083 63.3877 38.5520 176.4325 42 L 4.5486 8.4672 119.1964 55.7676 42.8167 175.7539 43 E 5.3452 8.5299 121.3036 54.2601 31.9990 174.4420 44 W 5.4115 9.6453 127.1759 55.4811 32.2861 174.8087 45 H 5.6551 9.4033 121.0995 54.7872 30.8936 173.5478 46 Y 5.6660 8.8412 118.3754 55.5193 42.2755 174.0025 47 V 4.6963 8.7695 120.0637 61.1918 34.6525 174.1475 48 V 4.9285 9.1875 128.4461 61.3273 33.4613 174.3894 49 R 4.2522 9.1585 129.9839 55.2662 30.6534 176.2181 50 G 3.8661 8.8516 115.3380 45.8980 0.0000 171.7973 51 P 4.4127 0.0000 0.0000 62.0418 31.8202 175.8607 52 E 4.1558 8.5333 119.2784 57.8842 30.0192 177.3075 53 M 3.2839 9.3079 119.9798 56.3436 30.0251 176.6216 54 T 4.6826 7.0787 108.8925 58.7289 71.7753 172.8563 55 P 4.2611 0.0000 0.0000 64.6417 31.4231 176.4702 56 Y 4.6879 7.2672 115.7545 57.2299 38.3428 174.9960 57 E 4.4296 7.0228 121.9013 57.1645 29.9585 177.1725 58 G 3.9818 9.0883 114.3640 45.0767 0.0000 173.2996 59 G 3.8382 8.2913 107.5094 45.2678 0.0000 172.6649 60 Y 4.8929 8.0080 118.8208 56.0923 40.5507 175.0179 61 Y 4.7189 9.3864 124.0830 56.4772 40.2923 174.5183 62 H 4.9156 9.6034 126.3238 55.7223 31.6528 174.5638 63 G 3.9283 8.3071 111.4568 44.6519 0.0000 170.9602 64 K 5.3870 8.9292 117.3926 55.1722 36.6313 175.2553 65 L 5.1198 9.6105 121.0337 53.0051 45.1400 175.6783 66 I 4.8295 8.3883 123.6925 59.6108 40.0993 174.4891 67 F 4.7972 9.3242 127.3210 55.4740 39.9952 174.7189 68 P 4.5910 0.0000 0.0000 61.9372 32.2410 177.0626 69 R 3.9165 8.6987 119.6178 59.5424 30.0512 177.0805 70 E 4.4069 8.2276 115.1868 56.7135 30.3721 176.1689 71 F 4.6669 8.4341 123.3454 57.6958 40.0418 173.5986 72 P 2.9700 0.0000 0.0000 62.9721 31.2426 177.1374 73 F 4.8168 7.7296 117.1405 57.9665 39.3436 175.8012 74 K 4.3658 7.4883 119.5988 53.6609 35.8634 174.3431 75 P 3.9467 0.0000 0.0000 61.2189 31.8722 173.8812 76 P 4.3347 0.0000 0.0000 62.8146 32.3789 175.3922 77 S 4.4179 8.7278 116.4780 57.4468 64.8024 173.5613 78 I 4.7085 7.5701 123.7114 59.7334 39.8753 174.1945 79 Y 5.0474 9.0779 123.1690 56.4241 42.6609 173.7680 80 M 4.9212 8.6643 121.3027 54.2762 34.7989 175.9923 81 I 4.1464 8.8311 125.8590 63.0979 38.9040 177.0050 82 T 3.5834 7.7721 116.4063 62.2306 68.8020 172.6007 83 P 4.3117 0.0000 0.0000 62.9519 31.7703 175.8613 84 N 4.9941 8.6251 116.8286 51.7731 39.5929 175.5524 85 G 3.9436 8.6261 106.4052 44.7381 0.0000 173.4699 86 R 4.2294 7.8367 118.6173 57.1664 32.1225 175.6179 87 F 5.4538 7.6499 114.9543 55.0666 41.9329 175.4039 88 K 4.2064 9.2363 124.3604 56.5527 32.5456 176.7159 89 C 4.5712 8.7822 124.2571 60.8800 28.8240 173.1844 90 N 4.6183 9.1170 118.7256 54.4129 36.4510 174.1974 91 T 4.7687 7.4048 110.2229 59.6228 70.4866 173.3012 92 R 3.4492 8.7541 127.5429 57.1357 30.3013 175.3613 93 L 5.0253 7.8780 124.8586 52.3259 45.1005 175.0810 94 C 4.4836 7.9802 117.1618 57.6063 31.2537 173.4553 *105 W 4.3196 8.2734 128.8270 57.2771 31.3473 173.7423 106 N 3.9997 5.7700 123.9615 50.6092 38.4748 173.3575 107 P 4.5863 0.0000 0.0000 63.8290 31.5293 177.2477 108 A 3.9811 8.1136 122.6140 54.2123 18.6676 178.3621 109 W 4.4280 7.0114 115.3731 57.8417 29.6111 176.6778 110 S 4.9535 8.5021 117.7628 56.6545 66.1890 174.9720 111 V 3.5736 8.5489 120.5526 66.3875 30.7836 177.9153 112 S 4.1363 8.0946 114.1135 62.0974 62.7275 176.6003 113 T 3.7662 7.5974 117.6445 66.6587 68.1146 176.7005 114 I 3.6304 7.7107 121.5712 64.3831 37.1913 178.5662 115 L 3.7674 7.8842 119.6243 58.0132 41.4694 179.4616 116 T 3.9713 8.0908 115.9725 66.7035 68.3714 176.7223 117 G 3.4876 8.2868 107.7456 47.5941 0.0000 175.1450 118 L 3.9500 7.9454 123.2209 58.0137 42.0080 178.9618 119 L 3.8998 7.9410 119.9057 58.1289 41.7715 178.8623 120 S 4.0761 7.7796 114.2348 61.7602 62.8924 176.2488 121 F 4.2504 8.3979 123.1618 61.5203 38.9111 176.7757 122 M 3.8745 8.2553 117.2556 58.2995 32.0644 177.7420 123 V 4.0668 7.4023 116.1814 64.7279 32.2078 175.8412 124 E 4.3384 7.6605 115.9160 55.9877 30.6108 175.8331 125 K 4.4935 8.3245 115.8777 56.3611 34.1972 177.0801 126 G 3.8899 8.0418 107.5819 44.9445 0.0000 171.0501 127 P 4.7712 0.0000 0.0000 61.8598 33.1245 174.8508 128 T 4.4956 8.2976 108.8220 59.9408 71.8993 172.3380 129 L 3.9667 8.3725 122.4961 57.4564 42.0655 177.6740 130 G 4.0350 9.0352 114.9180 44.8632 0.0000 172.9564 131 S 5.0147 7.6543 114.4831 58.3295 63.8463 173.7306 132 I 4.7289 8.3696 114.1015 59.3720 40.9352 174.2503 133 E 4.6703 8.7404 123.0157 55.0771 30.8679 175.3113 134 T 4.5757 8.1701 113.9506 59.6536 72.5204 173.0433 135 S 4.3019 7.7611 115.0255 56.7997 64.4478 175.0065 136 D 4.2346 8.0543 121.1370 56.8138 41.1096 178.5451 137 F 4.4506 6.7183 113.4234 58.7829 39.0862 177.9512 138 T 3.7973 7.3575 116.4176 65.0019 67.1607 176.0879 139 K 3.8063 7.7620 120.4729 59.9524 32.1593 179.2642 140 R 3.9567 8.1213 117.9595 59.2987 29.9491 179.0240 141 Q 3.9763 7.9972 119.0381 59.1829 29.0467 177.9976 142 L 4.1326 8.7025 120.2150 57.8175 41.3714 179.4931 143 A 4.0275 8.0093 120.0571 55.0300 18.3515 179.5440 144 V 3.7132 7.7963 116.7203 66.3756 31.6966 178.3777 145 Q 4.2043 8.6457 118.0641 58.4657 28.3870 178.6900 146 S 4.1446 8.3407 116.0648 61.1004 62.9785 176.4331 147 L 3.8733 7.5855 121.0764 57.8653 41.4389 179.4620 148 A 4.0105 7.9254 119.9846 54.7725 18.1910 179.0730 149 F 3.9190 8.0426 118.5328 61.8316 39.8025 176.9773 150 N 4.1834 8.4484 116.0825 55.9250 37.9160 177.5314 151 L 4.0840 7.4526 119.4157 57.3222 41.7656 178.8440 152 K 4.3679 7.5857 115.7863 56.3372 32.3998 176.8812 153 D 4.5828 7.5187 120.1929 52.6444 41.8736 176.4111 154 K 3.9112 8.5487 128.1269 59.5472 32.0231 179.4220 155 V 3.5479 7.8470 118.3446 65.7312 31.4918 177.6800 156 F 4.1329 8.4845 119.9246 61.8430 39.0511 176.6949 157 C 4.2064 8.3364 114.8753 62.7758 27.9816 175.3423 158 E 4.0905 7.8571 119.3339 58.3839 29.3834 178.0021 159 L 3.8350 7.6895 118.4647 55.6029 43.0939 177.1560 160 F 4.9768 7.5271 116.5822 55.3276 39.2077 174.6514 161 P 4.2859 0.0000 0.0000 65.9775 31.3621 178.1530 162 E 4.0069 8.1107 118.1415 59.1864 29.5082 179.1115 163 V 3.5818 7.7521 117.9447 65.5266 31.6326 178.0477 164 V 3.6600 7.8005 118.3119 66.0906 31.1978 177.4574 165 E 3.9333 7.6720 117.4212 59.2323 29.4652 178.0140 166 E 4.0712 8.1534 118.3453 59.5887 29.8092 178.5911 167 I 3.5748 7.8131 118.4427 64.0762 37.2016 176.8560 168 K 4.2793 8.3426 123.0296 56.6250 32.1340 176.7292 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 12 T 8.03 4.36 4.56 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 1.32 0.00 0.00 13 A 9.17 4.53 1.58 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 14 T 8.76 3.95 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 1.27 0.00 0.00 15 Q 8.08 4.07 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 16 R 8.14 4.03 0.00 2.05 2.07 0.00 3.44 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 17 L 8.15 4.05 0.00 1.78 1.92 0.71 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.34 4.08 0.00 2.11 1.95 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.60 7.81 19 Q 8.04 4.09 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.78 0.00 20 D 8.48 4.49 0.00 2.95 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 21 Y 8.38 4.51 0.00 3.38 3.26 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 22 L 7.98 3.92 0.00 1.94 1.74 0.98 0.69 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 23 R 8.20 3.87 0.00 1.98 2.21 0.00 3.15 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 1.66 1.66 0.00 24 I 8.02 3.84 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 1.20 0.00 0.00 25 K 7.77 3.93 0.00 1.69 1.64 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.78 0.68 7.81 26 K 8.11 4.16 0.00 1.86 1.98 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 27 D 7.78 4.82 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 28 P 0.00 4.75 0.00 2.08 2.00 0.00 3.73 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 29 V 7.89 4.52 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 0.94 0.00 0.00 0.98 0.00 0.00 30 P 0.00 4.03 0.00 2.09 1.73 0.00 3.82 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 2.05 2.07 0.00 31 Y 8.38 3.78 0.00 3.20 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 32 I 7.43 5.27 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.94 1.03 0.00 0.00 33 C 9.10 5.11 0.00 3.06 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 34 A 8.96 5.76 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.69 4.67 0.00 1.50 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 2.23 2.19 0.00 36 P 0.00 4.26 0.00 1.51 0.77 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.00 37 L 8.61 3.96 0.00 1.90 1.58 1.00 1.15 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 38 P 0.00 4.11 0.00 2.08 2.06 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 39 S 7.63 4.40 0.00 3.97 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 40 N 7.81 4.30 0.00 2.78 2.71 0.00 0.00 6.78 7.17 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 41 I 8.44 3.81 1.85 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 1.59 0.93 0.97 0.00 0.00 42 L 8.47 4.55 0.00 1.92 2.01 1.00 0.56 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 43 E 8.53 5.35 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 44 W 9.65 5.41 0.00 3.52 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 45 H 9.40 5.66 0.00 3.32 3.63 0.00 5.58 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.84 5.67 0.00 3.25 3.26 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 47 V 8.77 4.70 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 -0.27 0.00 0.00 48 V 9.19 4.93 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 0.92 0.00 0.00 1.08 0.00 0.00 49 R 9.16 4.25 0.00 1.90 2.02 0.00 3.41 0.00 0.00 3.51 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.00 50 G 8.85 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 51 P 0.00 4.41 0.00 1.99 1.46 0.00 3.51 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 1.72 0.83 0.00 52 E 8.53 4.16 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 M 9.31 3.28 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 54 T 7.08 4.68 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 55 P 0.00 4.26 0.00 1.72 1.98 0.00 3.38 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.68 0.00 56 Y 7.27 4.69 0.00 3.08 3.17 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 57 E 7.02 4.43 0.00 2.04 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 2.35 2.26 0.00 58 G 9.09 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 59 G 8.29 3.84 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 0.00 0.00 0.00 60 Y 8.01 4.89 0.00 2.71 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 61 Y 9.39 4.72 0.00 2.92 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 62 H 9.60 4.92 0.00 3.38 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.31 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 0.00 0.00 0.00 64 K 8.93 5.39 0.00 1.86 1.58 0.00 1.07 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.14 1.40 7.81 65 L 9.61 5.12 0.00 1.35 0.80 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.39 4.83 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.95 0.00 0.00 67 F 9.32 4.80 0.00 2.86 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 68 P 0.00 4.59 0.00 2.54 2.20 0.00 3.91 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 2.21 2.07 0.00 69 R 8.70 3.92 0.00 1.84 2.10 0.00 3.34 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 70 E 8.23 4.41 0.00 2.21 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 2.44 2.42 0.00 71 F 8.43 4.67 0.00 3.30 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 P 0.00 2.97 0.00 1.56 1.31 0.00 3.21 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.41 0.00 73 F 7.73 4.82 0.00 3.18 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 74 K 7.49 4.37 0.00 1.70 1.55 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.46 7.81 75 P 0.00 3.95 0.00 1.49 0.49 0.00 3.34 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 76 P 0.00 4.33 0.00 1.41 0.56 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 77 S 8.73 4.42 0.00 3.72 3.43 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 78 I 7.57 4.71 1.53 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.78 0.71 0.00 0.00 79 Y 9.08 5.05 0.00 2.75 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 80 M 8.66 4.92 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.77 0.00 81 I 8.83 4.15 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 1.10 0.00 0.00 82 T 7.77 3.58 4.42 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 0.00 0.00 1.05 0.00 0.00 83 P 0.00 4.31 0.00 1.83 1.88 0.00 2.47 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 84 N 8.63 4.99 0.00 2.33 2.74 0.00 0.00 6.42 7.00 0.00 0.00 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 G 8.63 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 86 R 7.84 4.23 0.00 1.81 1.42 0.00 2.84 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 87 F 7.65 5.45 0.00 2.89 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 88 K 9.24 4.21 0.00 1.75 1.74 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 89 C 8.78 4.57 0.00 3.05 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 90 N 9.12 4.62 0.00 2.83 2.86 0.00 0.00 6.64 7.30 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 91 T 7.40 4.77 4.29 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 1.29 0.00 0.00 92 R 8.75 3.45 0.00 1.76 1.70 0.00 3.13 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.18 0.00 93 L 7.88 5.03 0.00 1.04 1.00 -0.06 0.54 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 94 C 7.98 4.48 0.00 2.59 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 *105 W 8.27 4.32 0.00 3.42 3.05 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 0.00 106 N 5.77 4.00 0.00 1.65 1.42 0.00 0.00 6.97 7.71 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 0.00 107 P 0.00 4.59 0.00 1.84 2.01 0.00 3.09 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 1.87 2.02 0.00 108 A 8.11 3.98 1.17 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 0.00 109 W 7.01 4.43 0.00 3.17 2.88 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 0.00 110 S 8.50 4.95 0.00 4.09 4.06 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 0.00 111 V 8.55 3.57 1.80 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 0.86 0.00 0.00 -0.01 0.00 0.00 112 S 8.09 4.14 0.00 3.93 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 0.00 113 T 7.60 3.77 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 0.79 0.00 0.00 114 I 7.71 3.63 2.08 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.78 0.91 0.00 0.00 115 L 7.88 3.77 0.00 1.69 1.62 1.05 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.09 3.97 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 1.18 0.00 0.00 117 G 8.29 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.95 3.95 0.00 1.66 1.71 0.61 0.10 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 0.00 119 L 7.94 3.90 0.00 1.78 1.77 0.76 0.62 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 0.00 120 S 7.78 4.08 0.00 4.05 3.84 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 0.00 121 F 8.40 4.25 0.00 3.34 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 0.00 122 M 8.26 3.87 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.64 0.00 123 V 7.40 4.07 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 0.90 0.00 0.00 0.87 0.00 0.00 124 E 7.66 4.34 0.00 2.16 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 2.24 2.32 0.00 125 K 8.32 4.49 0.00 1.68 1.77 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.36 7.81 126 G 8.04 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 0.00 0.00 0.00 127 P 0.00 4.77 0.00 2.21 2.07 0.00 3.84 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 1.98 1.96 0.00 128 T 8.30 4.50 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 1.07 0.00 0.00 129 L 8.37 3.97 0.00 1.68 1.53 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.65 5.01 0.00 3.86 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 0.00 132 I 8.37 4.73 1.84 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 1.11 0.78 0.91 0.00 0.00 133 E 8.74 4.67 0.00 1.81 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 2.18 2.25 0.00 134 T 8.17 4.58 4.10 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 1.14 0.00 0.00 135 S 7.76 4.30 0.00 2.72 3.46 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 0.00 136 D 8.05 4.23 0.00 2.90 2.75 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 0.00 137 F 6.72 4.45 0.00 3.30 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 0.00 138 T 7.36 3.80 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 139 K 7.76 3.81 0.00 1.77 1.60 0.00 1.34 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.57 7.81 140 R 8.12 3.96 0.00 1.93 2.01 0.00 3.16 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 141 Q 8.00 3.98 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 142 L 8.70 4.13 0.00 1.93 1.95 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.01 4.03 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.80 3.71 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 1.05 0.00 0.00 1.00 0.00 0.00 145 Q 8.65 4.20 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 146 S 8.34 4.14 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.59 3.87 0.00 1.95 1.75 1.17 1.03 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 0.00 148 A 7.93 4.01 1.33 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 0.00 149 F 8.04 3.92 0.00 3.11 3.17 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 0.00 150 N 8.45 4.18 0.00 2.02 1.42 0.00 0.00 7.10 7.47 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 0.00 151 L 7.45 4.08 0.00 1.61 1.72 0.91 0.79 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 0.00 152 K 7.59 4.37 0.00 1.49 1.72 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.62 7.81 153 D 7.52 4.58 0.00 2.56 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 0.00 154 K 8.55 3.91 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.49 7.81 155 V 7.85 3.55 2.31 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 1.00 0.00 0.00 0.93 0.00 0.00 156 F 8.48 4.13 0.00 3.14 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 0.00 157 C 8.34 4.21 0.00 3.16 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 0.00 158 E 7.86 4.09 0.00 1.97 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 2.17 2.25 0.00 159 L 7.69 3.84 0.00 0.57 0.49 0.61 0.62 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 0.00 160 F 7.53 4.98 0.00 2.33 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.29 0.00 2.23 2.27 0.00 3.68 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 2.04 2.00 0.00 162 E 8.11 4.01 0.00 2.04 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 2.41 2.32 0.00 163 V 7.75 3.58 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 1.10 0.00 0.00 0.95 0.00 0.00 164 V 7.80 3.66 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 0.91 0.00 0.00 1.15 0.00 0.00 165 E 7.67 3.93 0.00 1.95 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 0.00 2.33 2.33 0.00 166 E 8.15 4.07 0.00 2.16 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 2.41 2.43 0.00 167 I 7.81 3.57 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.32 0.80 0.00 0.00 168 K 8.34 4.28 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.