NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3019 0.0000 0.0000 62.5891 32.2026 175.1810 3 R 4.1489 8.5410 124.2841 53.9997 30.9365 174.5485 4 A 4.3965 8.4171 129.8083 50.0460 18.7324 175.5911 5 K 4.1818 8.0227 122.4709 56.5504 33.2775 177.5038 6 T 3.8505 8.4875 117.8439 66.4380 68.7315 176.8425 7 G 3.8877 7.3011 108.8412 46.0102 0.0000 173.0422 8 V 3.3186 8.5235 109.6851 65.0175 31.5586 180.5377 9 V 2.8267 6.2913 115.1065 64.2467 33.5739 177.3990 10 R 3.8873 7.6915 116.8619 59.2642 30.3679 178.7364 11 R 3.8000 7.9861 118.6692 59.5971 29.9925 178.7862 12 R 3.9275 7.7513 117.2094 59.1942 29.8978 178.9789 13 K 4.0439 8.1302 118.2879 59.5305 31.9507 179.2757 14 H 4.0884 8.2452 116.5246 58.7781 28.6530 177.5348 15 K 3.7944 8.2252 120.3976 59.8166 31.7561 178.9835 16 K 3.9382 7.8569 119.5613 59.7689 32.0944 178.3743 17 I 3.7980 7.3113 119.2887 64.3541 36.9889 178.0544 18 L 3.9550 7.5226 118.3818 58.2118 41.6956 179.4354 19 K 3.9370 8.3698 118.3095 59.6205 31.8057 178.9267 20 L 3.9626 7.4079 117.0035 57.9332 41.6793 178.8395 21 A 3.8023 8.2404 118.4856 51.0870 18.5063 177.2218 22 K 3.7812 7.3727 119.4892 58.2359 32.4922 178.0157 23 G 3.9570 8.7090 110.4762 45.6733 0.0000 173.5368 24 Y 4.6695 7.0413 116.8638 57.2487 38.6712 175.6116 25 W 4.1974 9.0077 132.6165 58.5975 33.0382 176.6567 26 G 3.5159 8.1879 114.2370 46.6884 0.0000 175.4365 27 L 4.2365 8.9857 129.9164 56.6515 43.0168 177.2492 28 R 4.1967 8.4455 117.4065 58.1461 30.1374 177.6421 29 S 4.7694 7.6059 110.7745 57.7544 63.4296 175.6688 30 K 4.7376 7.9707 119.7343 53.1587 34.6296 176.0716 31 S 5.2563 8.5316 122.4190 58.7461 59.6469 179.0028 *33 R 4.4443 8.4336 121.6704 55.3063 32.2266 178.5900 34 K 3.9253 8.1957 119.0320 60.2686 31.9222 178.8423 35 A 4.5639 7.7426 121.0137 55.8406 18.6054 179.2777 36 R 3.5014 7.7061 115.6632 59.5544 30.4344 178.3449 37 E 4.1538 7.6776 117.6486 60.0650 29.4674 179.9052 38 T 3.7706 8.1348 115.6816 66.6938 68.5231 176.6877 39 L 4.0634 8.1777 121.1863 57.8611 41.4446 179.4365 40 F 4.5650 8.5675 117.7760 61.0507 38.8736 177.7726 41 A 3.8385 7.6610 118.9488 54.7514 18.1239 179.2113 42 A 3.9175 7.9094 119.5486 55.5328 18.4860 179.6988 43 G 3.7257 8.3613 104.0497 48.3022 0.0000 175.3066 44 N 4.3260 8.0016 119.2478 55.9393 38.6225 176.7932 45 Y 4.2362 8.7500 118.5512 61.6942 38.0074 178.6539 46 A 4.1419 8.4005 121.3150 54.9893 18.3008 178.6642 47 Y 4.1098 8.0825 116.9900 60.9819 39.0147 178.7232 48 A 4.3353 8.6497 121.6113 55.6641 18.6542 179.2244 49 H 4.3823 8.8260 114.3124 58.0984 28.5574 177.7635 50 R 4.1529 8.1430 119.7365 58.2321 30.1421 178.3481 51 K 4.0912 7.5065 117.5216 58.6701 32.3650 179.1855 52 R 4.0516 7.6940 118.3158 58.9979 30.0546 178.2800 53 R 4.4364 7.6529 118.7167 59.3503 30.1269 177.4424 54 K 3.8114 8.4497 117.0463 58.4124 31.7649 178.5084 55 R 3.7932 8.1223 119.6115 59.9598 30.6319 177.9740 56 D 4.1182 8.4465 118.7181 57.6355 40.7389 179.2813 57 F 3.4026 8.3049 117.3862 61.5243 38.8520 179.1929 58 R 3.8995 6.5694 116.1518 58.5721 30.2624 178.0645 59 R 3.7290 7.9996 118.4938 59.4273 29.9060 178.0674 60 L 3.8336 7.2758 119.2580 58.6048 42.2820 178.5926 61 W 4.6200 8.6580 119.1760 60.1103 28.8935 178.1768 62 I 3.6140 8.4372 118.9728 64.8739 36.7505 178.0860 63 V 3.5041 7.8917 118.4371 66.4294 31.0451 178.3814 64 R 3.8667 8.3740 116.5097 59.9525 29.7301 178.3748 65 I 3.4347 8.0262 118.3783 64.3690 36.8928 177.3625 66 N 4.5055 9.0144 117.2592 57.3454 38.8503 177.1824 67 A 3.9948 8.4132 120.6406 55.1533 18.5631 178.6353 68 A 4.2477 9.3803 120.9569 54.7339 18.7189 178.6908 69 C 4.6495 8.0825 107.5052 59.5045 29.8285 175.0364 70 R 4.4952 7.7800 121.9290 58.4712 29.6402 178.2447 71 Q 4.0770 8.8772 118.5934 59.2656 28.8319 176.6972 72 H 4.6188 8.4547 112.4366 55.2492 29.1401 175.1267 73 G 3.8308 7.9749 108.7806 44.4537 0.0000 172.5126 74 L 4.4003 7.9527 118.6204 54.0721 44.0735 175.5920 75 N 4.6576 7.9159 116.2835 53.1891 40.3766 175.9766 76 Y 4.0831 9.9723 125.7553 60.9163 38.6642 178.9632 77 S 4.5789 8.4556 114.1068 60.6847 63.1901 175.3244 78 T 4.4345 7.6616 112.1153 63.0257 70.1574 175.6950 79 F 3.9904 8.4016 123.9906 61.5215 39.3679 177.4643 80 I 3.7992 8.3143 119.2499 64.3917 36.7129 178.0396 81 H 4.2908 8.0964 118.8461 59.2183 29.6160 176.9968 82 G 3.5810 8.7653 108.2198 48.1282 0.0000 175.1137 83 L 3.9446 7.7321 121.7921 57.3326 41.6976 179.8711 84 K 3.9736 7.9456 118.9183 59.4264 32.0108 178.7976 85 K 3.8318 7.7107 117.0164 59.6687 32.1871 178.9067 86 A 4.0025 9.6547 118.7507 53.3084 18.3121 178.7691 87 G 3.7628 7.8626 104.1603 45.4415 0.0000 173.8727 88 I 4.0648 7.2375 114.7836 59.4633 37.1805 176.3515 89 E 3.8156 8.7177 127.1349 57.5219 29.4277 177.7194 90 V 3.4898 6.7571 117.0265 66.0933 31.3344 177.2209 91 D 4.5093 7.7365 127.7895 53.1389 39.2900 174.4084 92 R 4.1114 8.1107 121.0212 55.0642 30.1057 178.3220 93 K 3.2883 8.9077 123.3720 59.3847 32.3979 177.5315 94 N 2.0000 7.6946 116.8713 55.3646 38.8999 176.0312 95 L 4.3113 8.2105 116.8408 55.1969 42.2465 178.3587 96 A 4.2896 7.5169 118.6997 52.9523 17.4277 177.5651 97 D 4.5214 7.5382 115.2930 54.6329 38.8860 178.0527 98 L 3.6742 7.7656 119.8870 56.2371 42.2120 181.6836 99 A 2.9429 7.0373 122.7551 55.0096 20.5414 178.7227 100 V 3.6285 7.1529 114.0503 65.5916 31.7290 176.3722 101 R 4.5761 7.7774 116.6213 54.6978 33.3250 175.3495 102 E 3.9452 8.7048 116.7464 56.5656 27.1261 175.0090 103 P 4.4756 0.0000 0.0000 65.8987 31.4764 177.7196 104 Q 4.1567 8.2348 117.6918 59.3334 28.6002 179.1430 105 V 3.4901 7.4758 117.5612 66.0463 31.3551 177.6547 106 F 4.2591 8.2215 119.9456 60.9490 39.3305 176.4688 107 A 4.0214 9.1839 121.2113 55.4439 18.1902 179.1653 108 E 3.8159 8.9121 117.8062 59.5853 29.5969 179.0758 109 L 3.9244 7.9026 118.8904 57.5778 41.4922 179.3869 110 V 2.9786 7.4386 118.9614 65.3824 31.2628 177.5553 111 E 3.8686 7.9509 118.2725 59.6022 29.4023 179.7538 112 R 3.8312 7.7601 117.6910 59.2018 30.0488 178.6804 113 A 3.9993 7.3089 119.8023 54.3073 19.0250 179.1521 114 K 3.8425 8.3284 117.0233 59.9497 31.9320 178.7009 115 A 3.9777 9.3097 119.4577 55.5212 18.4699 178.9121 116 A 4.0070 7.5308 117.4651 56.1550 18.4092 178.9316 117 Q 3.7769 8.8605 115.0478 56.9029 28.6088 177.3684 118 G 3.7378 7.0012 115.3693 46.8906 0.0000 172.3302 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 P 0.00 4.30 0.00 2.17 2.15 0.00 3.45 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 1.88 2.08 0.00 3 R 8.54 4.15 0.00 1.86 1.86 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 A 8.42 4.40 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 5 K 8.02 4.18 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 6 T 8.49 3.85 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 1.20 0.00 0.00 7 G 7.30 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 8 V 8.52 3.32 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 0.75 0.00 0.00 0.92 0.00 0.00 9 V 6.29 2.83 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 1.00 0.00 0.00 10 R 7.69 3.89 0.00 1.89 1.85 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 11 R 7.99 3.80 0.00 1.89 2.03 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 12 R 7.75 3.93 0.00 2.09 1.95 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 13 K 8.13 4.04 0.00 1.99 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 14 H 8.25 4.09 0.00 3.45 3.34 0.00 5.84 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 15 K 8.23 3.79 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.62 7.81 16 K 7.86 3.94 0.00 1.98 2.04 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 17 I 7.31 3.80 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.46 0.83 0.00 0.00 18 L 7.52 3.96 0.00 1.77 1.74 0.91 0.99 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 19 K 8.37 3.94 0.00 1.93 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.72 7.81 20 L 7.41 3.96 0.00 1.75 1.72 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.24 3.80 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 22 K 7.37 3.78 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.47 7.81 23 G 8.71 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 0.00 0.00 0.00 24 Y 7.04 4.67 0.00 3.06 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 25 W 9.01 4.20 0.00 3.53 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 26 G 8.19 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.99 4.24 0.00 1.75 1.71 0.94 0.96 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 28 R 8.45 4.20 0.00 2.06 2.00 0.00 3.15 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 29 S 7.61 4.77 0.00 3.98 4.14 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 30 K 7.97 4.74 0.00 1.71 1.72 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.49 7.81 31 S 8.53 5.26 0.00 4.11 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 *33 R 8.43 4.44 0.00 1.98 2.29 0.00 3.13 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 34 K 8.20 3.93 0.00 1.75 1.92 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.62 7.81 35 A 7.74 4.56 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 36 R 7.71 3.50 0.00 1.64 1.68 0.00 3.00 0.00 0.00 2.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 37 E 7.68 4.15 0.00 2.27 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 2.42 2.57 0.00 38 T 8.13 3.77 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 39 L 8.18 4.06 0.00 1.67 1.72 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.57 4.57 0.00 3.10 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 41 A 7.66 3.84 1.02 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 0.00 0.00 42 A 7.91 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.36 3.73 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 0.00 0.00 0.00 44 N 8.00 4.33 0.00 2.96 2.94 0.00 0.00 7.12 7.36 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 45 Y 8.75 4.24 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.40 4.14 1.48 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 47 Y 8.08 4.11 0.00 3.05 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 48 A 8.65 4.34 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 49 H 8.83 4.38 0.00 3.30 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.14 4.15 0.00 1.65 1.94 0.00 3.16 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 51 K 7.51 4.09 0.00 1.82 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.17 1.20 7.81 52 R 7.69 4.05 0.00 1.94 1.87 0.00 3.03 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 53 R 7.65 4.44 0.00 2.00 2.03 0.00 3.29 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.61 0.00 54 K 8.45 3.81 0.00 2.04 1.67 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.63 7.81 55 R 8.12 3.79 0.00 1.75 1.97 0.00 3.11 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 56 D 8.45 4.12 0.00 2.54 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 0.00 0.00 0.00 57 F 8.30 3.40 0.00 2.23 1.45 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 0.00 58 R 6.57 3.90 0.00 1.95 1.90 0.00 3.17 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 59 R 8.00 3.73 0.00 1.83 1.99 0.00 3.00 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 60 L 7.28 3.83 0.00 1.43 1.56 1.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.66 4.62 0.00 3.68 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.44 3.61 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.35 0.00 0.00 63 V 7.89 3.50 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 0.93 0.00 0.00 0.89 0.00 0.00 64 R 8.37 3.87 0.00 2.04 1.98 0.00 3.42 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.03 0.00 65 I 8.03 3.43 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.74 0.00 0.00 66 N 9.01 4.51 0.00 2.81 2.87 0.00 0.00 7.27 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 67 A 8.41 3.99 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 68 A 9.38 4.25 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 0.00 0.00 0.00 0.00 0.00 69 C 8.08 4.65 0.00 3.56 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.78 4.50 0.00 2.39 2.02 0.00 3.14 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 71 Q 8.88 4.08 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.05 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 72 H 8.45 4.62 0.00 3.15 3.32 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.95 4.40 0.00 1.77 1.65 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.92 4.66 0.00 3.13 2.90 0.00 0.00 7.05 7.36 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 76 Y 9.97 4.08 0.00 3.04 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 77 S 8.46 4.58 0.00 4.16 4.14 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 78 T 7.66 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 1.26 0.00 0.00 79 F 8.40 3.99 0.00 3.13 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 80 I 8.31 3.80 1.48 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.39 0.79 0.00 0.00 81 H 8.10 4.29 0.00 3.40 3.42 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.77 3.58 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 0.00 83 L 7.73 3.94 0.00 2.02 1.82 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.95 3.97 0.00 1.98 1.89 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 85 K 7.71 3.83 0.00 1.91 1.80 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.48 7.81 86 A 9.65 4.00 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 87 G 7.86 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 0.00 0.00 0.00 88 I 7.24 4.06 1.87 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 1.22 0.88 0.89 0.00 0.00 89 E 8.72 3.82 0.00 1.96 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 2.29 2.31 0.00 90 V 6.76 3.49 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 0.72 0.00 0.00 0.94 0.00 0.00 91 D 7.74 4.51 0.00 2.77 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 92 R 8.11 4.11 0.00 2.02 2.03 0.00 2.98 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 93 K 8.91 3.29 0.00 1.99 2.22 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.29 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.73 1.70 7.81 94 N 7.69 2.00 0.00 1.78 2.25 0.00 0.00 7.20 6.66 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 95 L 8.21 4.31 0.00 1.56 1.57 0.83 0.56 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 96 A 7.52 4.29 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.54 4.52 0.00 2.81 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 98 L 7.77 3.67 0.00 1.78 1.68 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.04 2.94 0.72 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 0.00 100 V 7.15 3.63 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 0.77 0.00 0.00 0.88 0.00 0.00 101 R 7.78 4.58 0.00 1.79 1.79 0.00 3.34 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 102 E 8.70 3.95 0.00 2.10 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 0.00 2.32 2.22 0.00 103 P 0.00 4.48 0.00 2.35 2.37 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 104 Q 8.23 4.16 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 105 V 7.48 3.49 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 1.12 0.00 0.00 0.96 0.00 0.00 106 F 8.22 4.26 0.00 3.16 3.31 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 0.00 107 A 9.18 4.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.91 3.82 0.00 2.24 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 2.29 2.49 0.00 109 L 7.90 3.92 0.00 1.76 1.56 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.44 2.98 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 0.84 0.00 0.00 0.30 0.00 0.00 111 E 7.95 3.87 0.00 1.88 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 2.45 2.46 0.00 112 R 7.76 3.83 0.00 1.84 1.86 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 113 A 7.31 4.00 0.98 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 0.00 114 K 8.33 3.84 0.00 1.75 1.81 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.55 7.81 115 A 9.31 3.98 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 0.00 116 A 7.53 4.01 1.27 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 0.00 0.00 0.00 117 Q 8.86 3.78 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 118 G 7.00 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.