NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2065 8.1749 115.2431 61.9650 68.3961 173.4340 3 I 4.3211 7.8603 128.5484 58.5668 39.2174 173.1164 *5 L 4.2124 7.9287 120.4652 55.0009 43.4346 176.7117 6 T 4.9396 8.2839 112.2292 57.8569 72.1129 171.6799 7 P 4.9067 0.0000 0.0000 63.1769 33.1980 179.0201 *9 Q 4.1330 8.8175 120.7451 55.3156 29.7845 175.1087 10 T 3.8882 8.4086 108.3676 65.9314 68.2000 176.0033 11 E 4.0174 8.1049 121.4781 58.5651 29.6770 178.9885 12 E 4.0433 8.2839 118.1946 59.3467 29.5323 179.1086 13 F 4.3035 8.3676 120.5387 61.4376 39.5636 177.1834 14 R 3.6059 7.8579 117.1327 59.4986 29.9185 179.2018 15 S 4.0945 7.9974 114.6230 61.8003 62.7657 176.1653 16 Y 3.9584 7.9288 122.1590 60.4066 38.4908 177.9435 17 L 3.1136 7.7782 121.4714 58.2366 42.0122 179.1014 18 T 3.7544 7.6868 115.6476 67.0535 68.2036 175.4671 19 Y 3.8462 8.0248 121.7887 60.7269 38.7580 177.7787 20 T 3.7682 8.0808 114.4098 65.1558 67.0378 176.6656 21 T 3.7707 7.4226 118.0523 66.4667 68.5209 176.7266 22 K 4.0627 7.7459 120.7256 60.0445 32.5920 178.6875 23 H 4.1082 8.5200 119.7003 59.2523 29.8127 176.2605 24 Y 4.1758 8.7800 121.5496 60.9372 38.6316 178.0662 25 A 4.3678 8.0822 120.8552 55.5634 18.5791 179.2836 26 E 3.8861 8.2131 117.6435 59.4483 29.6634 178.8864 27 E 3.5446 8.2422 119.1148 58.9021 29.4140 179.3635 28 K 3.7315 7.7087 118.7750 58.7262 31.9322 179.6948 29 V 3.8047 7.4841 118.8892 65.8980 31.2830 178.1975 30 K 3.8581 7.7437 116.8560 59.3553 31.9354 178.8570 31 A 4.2743 7.7393 119.5472 53.0597 18.3697 178.5552 32 G 3.9118 7.8641 104.9936 46.0499 0.0000 174.9371 33 T 4.0607 7.8741 116.4403 65.6699 68.7751 175.1067 34 W 5.1005 7.5493 118.3216 55.1506 31.4884 175.3281 35 L 4.7303 8.1389 119.0576 52.6037 43.2586 175.7897 36 P 4.2108 0.0000 0.0000 66.0954 31.2917 178.0442 37 E 4.3089 8.1715 111.6387 57.4655 29.7586 177.2175 38 D 4.7070 8.4806 120.0770 55.1880 42.9095 177.5561 39 A 4.1593 7.5386 119.8933 55.6594 18.3712 179.2707 40 Q 4.0012 8.2016 115.0913 59.2247 29.0135 179.3493 41 L 3.8623 7.7501 120.1252 58.2080 42.3026 178.5711 42 L 3.6600 7.6351 118.9116 57.7533 41.3836 179.4275 43 S 4.4085 8.1605 112.8146 61.4500 62.4280 175.7082 44 K 3.9318 8.0188 122.2162 59.9940 31.8166 178.1234 45 Q 3.9479 7.9239 118.8642 59.1614 28.9107 178.4330 46 V 3.4851 7.7707 119.1339 66.2059 31.6455 178.0917 47 F 4.4555 8.0898 117.0323 60.3924 38.4947 178.0414 48 T 4.0039 7.8669 115.2810 66.5195 68.3836 176.0967 49 D 4.4601 8.1175 119.1732 57.3029 41.3179 178.0104 50 L 4.1902 7.8608 118.7853 56.3424 43.0474 177.3855 51 L 4.7945 7.7934 117.1431 52.3027 42.1011 175.3021 52 P 4.3077 0.0000 0.0000 65.4446 32.0332 178.4614 53 R 4.5760 8.1040 115.8764 55.4874 31.6135 177.5675 54 G 3.7478 7.8701 110.9759 46.5051 0.0000 178.1757 55 L 3.5419 7.6099 122.6062 57.0245 41.4205 177.8592 56 E 3.9440 7.9154 117.0263 58.0275 29.6725 176.8691 57 T 3.8132 7.5813 117.1026 62.7256 68.4292 171.9808 58 P 4.0989 0.0000 0.0000 64.4967 31.6566 176.7710 59 H 4.3309 8.7473 115.5328 56.3980 27.0955 173.8389 60 H 5.3251 7.6227 116.9566 54.8302 30.2149 174.4860 61 H 4.4131 9.7048 119.9367 53.8761 31.7293 172.4965 62 L 5.0006 8.0468 123.7191 52.7426 43.3959 176.0751 63 W 5.3227 9.7593 124.6080 54.8257 33.2195 175.0439 64 S 5.1687 9.0012 117.9956 56.5189 64.5962 173.3963 65 L 4.1374 8.8937 126.6314 54.7013 42.6399 176.2777 66 K 4.7794 8.4840 123.7627 54.4861 34.1439 177.4430 67 L 4.1057 8.4734 127.3360 57.4805 42.7635 176.0487 68 N 4.5820 7.2063 113.6635 52.8831 39.2732 173.5687 69 E 4.1531 8.8905 115.5229 58.2479 30.0372 176.9061 70 K 4.3175 9.0651 117.9587 55.8874 33.2325 175.2893 71 D 4.7087 8.0008 118.2124 53.4946 41.5053 175.1274 72 I 4.5102 7.8018 126.3560 59.7346 36.3333 176.3264 73 V 2.9930 7.8153 119.9137 63.5524 32.6899 175.9195 74 G 3.4787 7.2642 105.1385 45.9990 0.0000 172.1827 75 W 5.8314 6.9412 117.0000 55.0919 32.5965 174.2986 76 L 5.1497 8.9955 121.6692 53.9897 45.6637 173.8610 77 W 5.8263 10.1506 135.0000 55.9169 33.8301 173.7360 78 I 5.2389 9.3745 120.5284 59.3815 41.1737 173.6958 79 H 5.4274 9.6052 123.3159 54.7099 32.4256 172.5685 80 A 4.8924 8.9253 129.1984 49.8154 18.5067 175.3102 81 E 3.5831 8.1499 120.4171 55.7796 29.0761 175.6945 82 P 4.1989 0.0000 0.0000 63.2300 30.8710 175.8296 83 E 3.8952 8.7847 124.0136 56.6818 27.3425 174.6959 84 H 3.9779 7.4906 116.2715 56.0707 30.1903 173.9086 85 P 4.3581 0.0000 0.0000 65.3669 30.9089 176.6990 86 Q 4.5542 7.9824 115.0220 54.6747 30.2285 174.8567 87 Q 3.4271 8.6623 116.5975 56.8915 26.9024 173.1226 88 E 4.9310 7.6799 116.3393 55.5171 31.9043 174.6708 89 A 4.9932 8.8289 125.0331 50.1543 22.9290 174.7233 90 F 5.0115 9.0409 123.3907 56.7228 41.8921 174.9123 91 I 4.4331 7.6495 127.7101 60.1856 36.8226 175.3826 92 Y 3.9276 8.4260 126.6265 60.5458 38.3423 175.9066 93 D 5.0133 7.9980 115.9299 53.7555 44.7844 174.0468 94 F 5.1712 8.3971 124.5174 56.5501 42.5277 173.2735 95 G 2.8490 5.3800 112.3469 45.8310 0.0000 170.8597 96 L 4.7597 7.0979 118.6954 52.4910 44.7150 176.9381 97 Y 4.5240 8.8301 120.4708 57.9269 38.9164 176.1146 98 E 4.2521 9.5653 123.1495 59.4688 29.6201 178.0405 99 P 4.6784 0.0000 0.0000 62.8613 31.0443 176.6177 100 Y 4.9569 8.0382 112.1936 59.4522 42.1427 175.5390 101 R 4.2914 7.9854 119.2941 56.5628 31.2208 176.6136 102 G 3.9258 8.9340 107.4712 45.6511 0.0000 174.1811 103 K 4.1136 7.8895 117.0507 55.4825 33.5999 177.1975 104 G 3.8956 8.0348 107.1554 45.7957 0.0000 174.8901 105 Y 4.4118 7.5726 118.8481 60.3750 37.6570 177.7380 106 A 4.1680 8.1368 121.7375 55.3876 18.5603 179.3270 107 K 3.8846 8.1241 117.2216 59.8577 32.3658 178.8320 108 Q 4.0297 7.8799 116.9206 58.7893 28.6432 178.4663 109 A 4.0557 8.8288 122.4054 55.2204 18.5578 179.6664 110 L 3.7611 8.2590 117.5309 57.8227 41.7564 179.6206 111 A 4.0185 7.9739 120.3587 54.7328 18.2155 179.4859 112 A 3.9320 7.7807 119.1450 54.6995 18.4382 179.6250 113 L 3.6966 7.8354 119.0894 58.3434 42.1115 178.8485 114 D 4.2486 7.7675 118.2655 57.3572 40.8395 178.5581 115 Q 3.8546 7.8417 119.2816 59.3164 28.8823 178.3234 116 A 3.8732 8.2450 120.5783 54.7966 18.5822 179.2613 117 A 4.0941 8.4912 119.6487 55.4573 18.3367 179.8176 118 R 4.1603 8.2566 117.7060 58.6314 30.3414 179.5175 119 S 4.4762 7.7987 114.6992 57.9669 63.0022 175.1607 *121 G 3.8545 7.8914 108.6861 46.1090 0.0000 173.2135 122 I 4.1847 7.7471 122.1291 60.9614 37.6163 176.4451 123 R 4.6173 8.4036 123.0326 56.0016 31.4013 176.0656 124 K 4.5631 7.7175 119.8231 55.0718 35.7690 174.0345 125 L 5.2622 8.4804 126.0803 53.0630 44.3708 175.6655 126 S 4.9650 9.0113 117.3155 56.7589 66.0781 172.4453 127 L 3.4438 8.0862 123.1581 54.8966 42.8258 173.4682 128 H 4.8262 8.2176 119.5323 54.2067 32.0457 173.9880 129 V 4.3828 7.3921 124.3082 59.6027 34.0553 175.0031 130 F 3.9332 8.8668 123.3703 57.1151 39.3334 175.9411 131 A 4.0020 8.8542 128.5288 55.6545 18.1623 178.2581 132 H 4.4268 8.1228 108.8956 57.4471 29.6153 176.2165 133 N 4.7877 8.1398 122.0260 51.8148 34.9507 175.1702 134 Q 4.0140 7.8221 124.5890 59.5629 29.4983 178.9441 135 T 3.8275 8.0348 115.5818 66.9809 68.5988 176.2956 136 A 3.7686 7.9442 121.6336 55.0079 18.3903 179.7363 137 R 4.0468 8.0976 116.9350 59.1657 30.0409 179.0987 138 K 4.0958 8.3100 119.7843 59.3273 32.1747 178.4354 139 L 3.8817 7.6787 120.5554 58.5129 41.9130 178.4990 140 Y 4.6324 7.3344 117.6203 60.7467 37.9223 178.6622 141 E 4.4506 8.3468 120.6838 59.2019 29.3717 179.5262 142 Q 4.1247 8.4015 117.6429 58.6833 29.0201 177.8434 143 T 4.3982 8.0561 109.3432 61.8646 68.8557 175.8702 144 G 4.0390 7.8806 110.4624 46.0533 0.0000 175.0989 145 F 4.2220 8.5066 119.0279 57.6830 39.5040 174.3134 146 Q 4.7055 8.3095 121.4237 53.8514 32.3350 175.2939 147 E 4.2577 8.7251 120.8617 56.6878 30.2846 176.8801 148 T 4.5110 8.4592 110.4724 62.4035 71.0640 173.9694 149 D 4.8637 7.7742 118.6063 52.2720 44.9186 174.7255 150 V 4.3214 8.1060 120.4052 61.2754 34.4688 174.8863 151 V 4.1168 8.1308 126.0953 61.0369 33.6175 173.9523 *153 S 4.3096 8.0757 116.6713 58.3088 63.8342 172.7965 154 K 4.2617 7.8106 114.7604 56.3990 33.9601 174.6066 155 K 4.4128 8.6434 121.3171 55.8867 33.8483 177.5925 156 L 4.5872 8.0040 126.4265 54.6448 41.4661 176.9452 157 L 4.1770 8.5006 123.8300 56.1956 41.5588 176.7201 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 T 8.17 4.21 4.23 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 1.19 0.00 0.00 3 I 7.86 4.32 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.85 0.00 0.00 *5 L 7.93 4.21 0.00 1.04 0.79 0.71 -0.46 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 6 T 8.28 4.94 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 1.23 0.00 0.00 7 P 0.00 4.91 0.00 2.10 1.37 0.00 3.93 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 *9 Q 8.82 4.13 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 10 T 8.41 3.89 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 1.21 0.00 0.00 11 E 8.10 4.02 0.00 2.03 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 2.42 2.36 0.00 12 E 8.28 4.04 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 2.46 2.42 0.00 13 F 8.37 4.30 0.00 3.14 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 14 R 7.86 3.61 0.00 1.89 1.92 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 15 S 8.00 4.09 0.00 3.92 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 16 Y 7.93 3.96 0.00 3.08 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 17 L 7.78 3.11 0.00 0.86 1.33 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.69 3.75 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 1.15 0.00 0.00 19 Y 8.02 3.85 0.00 3.08 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 20 T 8.08 3.77 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 0.10 0.00 0.00 21 T 7.42 3.77 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 1.30 0.00 0.00 22 K 7.75 4.06 0.00 1.90 2.01 0.00 1.08 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.33 7.81 23 H 8.52 4.11 0.00 3.27 3.57 0.00 5.63 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 24 Y 8.78 4.18 0.00 3.71 3.54 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 25 A 8.08 4.37 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.21 3.89 0.00 2.06 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 2.23 2.32 0.00 27 E 8.24 3.54 0.00 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 28 K 7.71 3.73 0.00 1.62 1.21 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.39 0.21 7.81 29 V 7.48 3.80 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 1.03 0.00 0.00 1.03 0.00 0.00 30 K 7.74 3.86 0.00 1.56 1.51 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.51 7.81 31 A 7.74 4.27 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 32 G 7.86 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 33 T 7.87 4.06 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 1.17 0.00 0.00 34 W 7.55 5.10 0.00 3.40 2.96 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 35 L 8.14 4.73 0.00 1.86 1.84 0.97 1.03 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 36 P 0.00 4.21 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 37 E 8.17 4.31 0.00 2.06 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 2.27 2.27 0.00 38 D 8.48 4.71 0.00 2.72 2.51 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 0.00 0.00 0.00 39 A 7.54 4.16 1.60 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 40 Q 8.20 4.00 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 41 L 7.75 3.86 0.00 1.66 1.70 0.87 0.51 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 42 L 7.64 3.66 0.00 0.63 0.29 -0.28 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.16 4.41 0.00 4.49 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 0.00 44 K 8.02 3.93 0.00 2.20 1.84 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.56 7.81 45 Q 7.92 3.95 0.00 2.15 2.13 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 2.34 2.35 0.00 46 V 7.77 3.49 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 0.32 0.00 0.00 1.10 0.00 0.00 47 F 8.09 4.46 0.00 3.16 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 48 T 7.87 4.00 4.38 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 1.23 0.00 0.00 49 D 8.12 4.46 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.86 4.19 0.00 1.87 1.84 0.56 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.79 4.79 0.00 1.94 1.58 0.61 0.47 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 52 P 0.00 4.31 0.00 2.03 2.13 0.00 3.63 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 2.22 0.00 53 R 8.10 4.58 0.00 1.89 1.84 0.00 3.25 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 54 G 7.87 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 0.00 0.00 0.00 55 L 7.61 3.54 0.00 1.28 1.40 0.69 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.92 3.94 0.00 2.09 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 2.27 2.18 0.00 57 T 7.58 3.81 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 1.26 0.00 0.00 58 P 0.00 4.10 0.00 1.82 1.95 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 59 H 8.75 4.33 0.00 3.48 3.67 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.62 5.33 0.00 3.22 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 9.70 4.41 0.00 2.34 1.86 0.00 5.77 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.05 5.00 0.00 1.19 1.42 0.23 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 W 9.76 5.32 0.00 3.38 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 64 S 9.00 5.17 0.00 3.98 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 0.00 65 L 8.89 4.14 0.00 1.61 1.60 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.48 4.78 0.00 1.63 1.91 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.60 7.81 67 L 8.47 4.11 0.00 1.16 1.42 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.21 4.58 0.00 2.77 2.70 0.00 0.00 6.05 7.66 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 69 E 8.89 4.15 0.00 1.97 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 0.00 2.28 2.23 0.00 70 K 9.07 4.32 0.00 1.66 1.80 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 71 D 8.00 4.71 0.00 2.74 2.34 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 72 I 7.80 4.51 1.84 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 1.40 0.49 1.07 0.00 0.00 73 V 7.82 2.99 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 -0.01 0.00 0.00 0.78 0.00 0.00 74 G 7.26 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.94 5.83 0.00 3.05 3.11 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 76 L 9.00 5.15 0.00 1.98 1.99 1.11 1.20 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 77 W 10.15 5.83 0.00 3.53 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 78 I 9.37 5.24 2.13 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 1.22 0.00 0.00 79 H 9.61 5.43 0.00 3.65 3.49 0.00 5.76 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 80 A 8.93 4.89 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 81 E 8.15 3.58 0.00 2.16 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 2.53 2.42 0.00 82 P 0.00 4.20 0.00 2.21 2.00 0.00 3.93 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 2.07 1.99 0.00 83 E 8.78 3.90 0.00 2.11 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 2.22 2.22 0.00 84 H 7.49 3.98 0.00 3.17 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.36 0.00 2.17 2.15 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 86 Q 7.98 4.55 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 87 Q 8.66 3.43 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 88 E 7.68 4.93 0.00 1.90 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 2.29 2.45 0.00 89 A 8.83 4.99 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 90 F 9.04 5.01 0.00 2.93 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 91 I 7.65 4.43 1.36 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.92 0.00 0.00 92 Y 8.43 3.93 0.00 1.43 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 93 D 8.00 5.01 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.40 5.17 0.00 3.04 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 95 G 5.38 2.85 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 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.10 4.76 0.00 1.39 1.64 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.83 4.52 0.00 3.35 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 98 E 9.57 4.25 0.00 2.17 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 2.54 2.54 0.00 99 P 0.00 4.68 0.00 1.77 2.03 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 1.99 1.99 0.00 100 Y 8.04 4.96 0.00 3.26 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.99 4.29 0.00 1.84 1.87 0.00 3.29 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 102 G 8.93 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 0.00 103 K 7.89 4.11 0.00 0.79 0.90 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.26 7.81 104 G 8.03 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 0.00 0.00 0.00 105 Y 7.57 4.41 0.00 3.02 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 0.00 106 A 8.14 4.17 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 0.00 107 K 8.12 3.88 0.00 1.85 1.99 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.56 7.81 108 Q 7.88 4.03 0.00 2.46 2.20 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 2.42 2.43 0.00 109 A 8.83 4.06 1.63 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 0.00 0.00 110 L 8.26 3.76 0.00 1.89 1.74 1.03 0.66 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 0.00 111 A 7.97 4.02 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 0.00 112 A 7.78 3.93 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 0.00 113 L 7.84 3.70 0.00 1.68 1.78 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.77 4.25 0.00 2.90 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 0.00 115 Q 7.84 3.85 0.00 2.14 2.17 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 2.29 2.35 0.00 116 A 8.25 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.49 4.09 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 0.00 118 R 8.26 4.16 0.00 1.81 1.99 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 119 S 7.80 4.48 0.00 4.09 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 *121 G 7.89 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.75 4.18 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.99 0.00 0.00 123 R 8.40 4.62 0.00 1.68 1.92 0.00 3.33 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 124 K 7.72 4.56 0.00 1.77 1.55 0.00 1.66 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.44 7.81 125 L 8.48 5.26 0.00 1.57 1.65 0.90 0.82 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 0.00 126 S 9.01 4.97 0.00 4.16 3.85 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 0.00 0.00 0.00 127 L 8.09 3.44 0.00 0.96 0.91 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.22 4.83 0.00 3.25 3.27 0.00 5.69 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 0.00 129 V 7.39 4.38 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 0.74 0.00 0.00 1.11 0.00 0.00 130 F 8.87 3.93 0.00 2.90 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 0.00 131 A 8.85 4.00 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 0.00 132 H 8.12 4.43 0.00 3.27 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.14 4.79 0.00 3.04 2.89 0.00 0.00 6.86 7.63 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 0.00 134 Q 7.82 4.01 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 135 T 8.03 3.83 4.23 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 1.18 0.00 0.00 136 A 7.94 3.77 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.10 4.05 0.00 2.07 2.04 0.00 3.28 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 138 K 8.31 4.10 0.00 1.98 1.78 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 139 L 7.68 3.88 0.00 1.71 1.32 0.89 1.02 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 0.00 140 Y 7.33 4.63 0.00 3.20 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 0.00 141 E 8.35 4.45 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 142 Q 8.40 4.12 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.18 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 143 T 8.06 4.40 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 1.30 0.00 0.00 144 G 7.88 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 0.00 0.00 0.00 145 F 8.51 4.22 0.00 3.24 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 0.00 146 Q 8.31 4.71 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 147 E 8.73 4.26 0.00 1.97 1.88 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 2.33 2.32 0.00 148 T 8.46 4.51 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 1.28 0.00 0.00 149 D 7.77 4.86 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 4.32 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 0.79 0.00 0.00 0.92 0.00 0.00 151 V 8.13 4.12 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 0.90 0.00 0.00 0.92 0.00 0.00 *153 S 8.08 4.31 0.00 4.06 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 0.00 154 K 7.81 4.26 0.00 1.83 1.77 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.33 7.81 155 K 8.64 4.41 0.00 1.77 1.78 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.41 7.81 156 L 8.00 4.59 0.00 1.62 1.48 0.93 1.00 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 0.00 157 L 8.50 4.18 0.00 1.62 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.