NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9675 8.3549 109.7360 45.4285 0.0000 175.7542 1 Q 4.3990 7.7577 117.5375 54.2040 29.2209 175.3078 2 S 4.2718 8.1302 114.7784 58.2228 61.2651 173.5552 3 G 3.9325 8.0173 115.8502 43.1528 0.0000 168.8972 4 P 4.4201 0.0000 0.0000 62.5467 31.7163 176.3939 5 L 4.1403 8.0852 121.9733 53.8590 42.2191 174.7361 6 P 4.7125 0.0000 0.0000 62.9466 31.4822 176.1743 7 K 4.6148 9.0435 122.6500 56.3879 33.1401 174.9554 8 P 5.0105 0.0000 0.0000 62.4316 33.5849 174.7465 9 S 4.8913 9.1474 114.0112 56.9243 65.7915 173.6209 10 L 5.0535 8.3417 123.1205 53.9168 44.1775 174.8074 11 Q 4.7601 9.0315 123.8353 54.1792 32.6826 173.8517 12 A 5.1101 8.4014 120.8778 50.1167 21.2761 175.6539 13 L 4.8900 8.9752 123.0396 52.2976 44.5024 175.9879 14 P 4.4981 0.0000 0.0000 64.0806 31.9968 175.5147 15 S 4.4855 7.2328 111.5847 57.5092 65.3768 174.0432 16 S 4.1181 8.2875 119.3544 60.6863 64.0376 173.8759 17 L 3.8393 7.4988 119.7011 53.6921 41.6243 176.9085 18 V 4.3345 8.3216 125.9757 59.9313 33.8022 173.2513 19 P 5.3695 0.0000 0.0000 61.8278 32.5902 176.0347 20 L 4.2106 8.4994 122.2625 56.6901 42.0667 177.8828 21 E 3.7365 9.0398 119.3101 56.8429 28.2913 174.6932 22 K 4.6744 7.5907 119.0302 54.2330 34.5478 174.2502 23 P 5.1434 0.0000 0.0000 62.2845 32.7689 175.9111 24 V 4.6935 8.6312 120.0896 60.9620 35.3564 172.9085 25 T 5.0633 9.3371 121.0382 61.8458 71.3783 172.8696 26 L 4.9024 8.8916 127.4176 53.1687 43.8193 175.4602 27 R 4.7943 8.8994 125.1361 54.5643 32.6442 173.2375 28 C 5.2652 8.8215 127.5826 55.3007 40.5424 172.5078 29 Q 4.5534 9.6804 127.4852 54.4441 31.8112 174.2688 30 G 4.2408 9.2829 113.9427 43.2010 0.0000 170.3316 31 P 4.6154 0.0000 0.0000 60.9153 32.2003 174.2055 32 P 4.1812 0.0000 0.0000 64.1777 31.4833 176.3108 33 G 4.0279 8.7834 108.6543 45.3481 0.0000 173.8354 34 V 3.5229 7.3575 119.4340 62.6762 32.0039 175.2383 35 D 4.7262 8.3997 126.0664 55.2642 42.5886 176.7754 36 L 4.6067 7.3378 119.3396 53.9193 45.6083 174.3039 37 Y 5.1662 8.7294 122.7079 56.7584 41.8603 175.0479 38 R 5.5083 9.0053 121.2784 56.3340 33.4241 173.1632 39 L 5.1545 8.8296 129.0756 53.3787 44.6783 174.5455 40 E 5.1222 9.4117 126.1406 54.4440 34.1214 173.8083 41 K 3.7929 8.2396 127.4180 54.6917 32.7330 176.8420 42 L 4.0457 8.1624 129.3087 57.9373 41.5336 179.4143 43 S 4.2138 8.0544 112.4989 60.0574 63.3120 174.8055 44 S 4.4953 7.7564 112.9610 57.0697 64.2435 174.0961 45 S 4.0221 7.6856 114.9616 58.7325 60.6990 171.2822 46 R 4.5648 7.7191 120.9535 54.7917 31.5379 174.4279 47 Y 5.2964 8.0558 123.7927 55.1673 41.5359 174.1434 48 Q 4.8151 9.2544 117.0294 54.6617 32.3631 175.6380 49 D 5.2616 8.8366 117.0737 53.7399 41.4208 176.5313 50 Q 4.6644 7.7558 118.1242 54.1169 30.6872 175.7224 51 A 3.9101 8.3837 122.5268 53.7587 19.6059 177.1232 52 V 4.6907 7.6474 115.0346 60.9329 34.0199 174.7193 53 L 4.6223 8.9692 130.3187 53.4113 44.1289 174.4597 54 F 5.2463 8.8143 129.3782 56.9689 40.8466 175.0272 55 I 3.9771 8.2833 128.2272 58.6886 37.6336 174.6577 56 P 3.4425 0.0000 0.0000 64.6190 31.2450 175.9837 57 A 4.7819 7.3148 120.7543 49.2824 21.2799 175.4947 58 M 3.9259 9.3399 123.5139 56.9200 33.3929 175.6288 59 K 4.8352 8.4026 124.0182 54.3457 35.8999 177.4845 60 R 3.9017 8.5377 120.7212 59.3770 30.1534 179.2602 61 S 4.2953 7.9502 110.4538 59.9495 63.3493 174.4925 62 L 4.4240 7.4066 119.2181 54.5746 41.9423 176.4994 63 A 4.2722 7.6676 122.3452 51.3558 19.5635 178.6153 64 G 3.4526 7.6403 107.5223 44.4689 0.0000 171.8037 65 R 4.7249 7.5994 118.7661 55.4823 31.9530 175.5804 66 Y 5.1942 8.9944 119.8667 56.5629 42.5179 174.5995 67 R 5.1404 8.8981 119.8252 55.1340 35.3524 171.6139 68 C 5.5108 8.7878 114.5658 54.5960 40.6491 172.8649 69 S 5.3630 9.2148 115.6048 57.7668 67.8924 172.0633 70 Y 5.2334 8.4909 117.6291 55.9415 41.8219 173.5898 71 Q 4.3125 8.6920 121.3454 53.9373 32.3128 173.5136 72 N 4.8446 8.7722 124.9154 51.8408 41.4937 173.4462 73 G 3.8885 9.2192 116.9304 47.0841 0.0000 173.8916 74 S 4.5699 8.6459 119.4950 57.5319 63.3352 173.3990 75 L 4.6348 7.4896 121.1203 53.2257 43.3419 175.5976 76 W 4.8835 8.4124 122.8449 55.4567 31.5123 176.1718 77 S 4.8217 8.2709 118.3758 56.9519 64.5954 173.5731 78 L 4.4051 8.7398 120.1444 53.7761 42.5591 175.5103 79 P 5.0836 0.0000 0.0000 62.0012 32.3116 176.0881 80 S 4.5923 8.6517 116.8019 57.9448 64.0070 173.6919 81 D 4.5338 8.5452 120.2410 54.0950 41.1572 176.3894 82 Q 4.3400 8.3890 120.4372 56.2025 29.6375 175.0918 83 L 4.2003 9.1623 126.5266 54.3522 43.4496 175.3164 84 E 4.2871 8.5783 126.9691 54.7886 29.8740 175.3598 85 L 3.9532 8.8272 128.6420 54.3748 42.9531 175.4105 86 V 4.3738 7.9111 126.7381 61.1701 33.7296 174.1737 87 A 5.1260 8.3804 129.2449 50.4304 21.1777 175.9562 88 T 4.8251 8.8352 113.1665 60.5436 72.1976 175.3564 89 G 3.7882 8.8252 109.7984 45.9766 0.0000 175.0106 90 V 3.4745 7.8861 120.2732 64.1871 31.7299 175.5187 91 F 5.0558 7.5632 116.4629 55.4190 43.1320 173.0580 92 A 4.6997 8.9058 124.0183 52.0330 18.6498 178.0299 93 K 4.9895 9.0571 120.6520 56.1590 33.6002 175.1416 94 P 4.9711 0.0000 0.0000 62.2015 34.3590 174.0222 95 S 4.9273 9.2330 114.0150 56.4714 65.6129 172.7869 96 L 5.2375 8.4400 124.5062 53.4738 43.9717 175.1858 97 S 4.6360 8.4548 119.2344 57.4055 67.2228 173.0876 98 A 4.4066 8.1904 122.2539 50.8398 20.2597 176.9653 *108 G 3.7850 8.5841 104.3330 44.8090 0.0000 172.8663 109 D 4.9643 6.8641 118.7067 53.6760 43.9320 174.8452 110 V 4.4245 7.4354 125.7652 61.2760 35.0253 174.0884 111 T 4.9045 8.3596 121.9876 61.7699 70.6830 173.4640 112 L 4.9740 8.9844 126.4938 52.7589 45.4054 175.3370 113 Q 4.6694 8.7991 119.3867 54.6708 31.4384 173.4662 114 C 4.8215 8.7466 125.2737 55.3216 42.6628 172.2725 115 Q 4.5555 9.1595 129.5274 54.9298 30.1341 174.3476 116 T 5.0253 8.6933 119.9655 60.7389 70.8453 173.1702 117 R 4.3849 8.5375 121.6552 57.6256 31.8847 177.9736 118 Y 3.8099 7.8340 113.0375 58.7022 37.6097 176.4961 119 G 3.7079 7.6721 107.3682 46.2314 0.0000 174.0828 120 F 4.4467 7.6247 117.8787 57.3623 39.5561 174.5835 121 D 4.9341 8.3106 117.4486 52.9924 41.0448 174.9356 122 Q 4.2386 7.5310 117.7582 54.2882 32.7747 174.3475 123 F 5.3457 8.2569 118.8211 56.0923 44.2583 173.4359 124 A 5.4650 9.2911 122.8773 50.3829 22.4326 174.7649 125 L 5.5948 9.6304 125.0103 53.5173 45.3184 174.8216 126 Y 5.4430 8.5423 122.3064 54.8808 41.8531 173.5137 127 K 3.9021 8.0749 123.2651 54.6695 33.6343 175.5302 128 E 4.4123 8.1967 127.5373 56.3450 30.4323 177.4347 129 G 3.5002 8.3523 111.4266 46.1726 0.0000 173.1020 *138 E 4.8017 8.3653 123.5502 56.2145 30.8509 175.3552 139 R 4.4406 7.4159 117.7052 55.9222 33.2464 172.8884 140 W 5.0038 8.8966 126.1268 55.2465 32.1602 175.5312 141 Y 4.9055 9.3525 120.3613 56.8631 41.1089 173.9055 142 R 5.3980 8.9840 124.8235 54.7560 32.0067 175.0694 143 A 4.9092 9.0209 126.5141 50.3890 23.3110 176.0514 144 S 5.1127 8.6031 113.1029 57.1576 64.1853 174.0865 145 F 4.9660 8.1777 122.6143 57.1964 42.1461 172.4525 146 P 2.9700 0.0000 0.0000 63.7835 31.8111 175.3533 147 I 4.6545 7.3403 121.2315 59.9774 39.2325 174.6539 148 I 4.4726 8.5808 128.5900 59.5731 39.9559 175.2101 149 T 4.7505 8.2062 120.2945 59.9422 68.6124 173.5523 150 V 3.2931 8.0830 130.3005 62.6506 31.4200 176.1139 151 T 4.0259 8.1390 124.8874 65.7046 68.8936 173.7373 152 A 4.3293 7.6893 134.9555 51.3776 18.1160 177.8399 153 A 4.2537 8.2373 126.2402 53.6798 15.8402 174.3057 154 H 4.8098 8.1504 116.3206 53.6099 29.7282 175.2193 155 S 4.2887 8.6865 119.3902 58.3175 63.4872 174.0310 156 G 3.9433 8.2091 112.3148 46.9765 0.0000 170.4875 157 T 4.9304 7.5359 116.1898 62.1796 70.2941 174.0337 158 Y 4.7815 8.7073 124.2140 55.9637 41.0912 175.0902 159 R 5.0016 7.7758 118.6250 55.2197 35.0052 172.9185 160 C 5.8095 9.3216 116.4439 54.0587 46.6797 172.3304 161 Y 5.4745 9.4445 117.5567 56.2681 41.4708 174.7924 162 S 5.1666 8.7975 116.4803 56.8056 66.5068 172.8217 163 F 3.4976 7.8119 115.7885 55.9205 41.7436 172.2592 164 S 5.1470 8.1908 114.0029 56.7813 63.7122 174.8138 165 S 4.3916 9.2082 121.1049 59.8303 63.0269 175.1611 166 R 4.1442 7.5786 121.0916 58.6572 30.7965 176.2111 167 D 4.8489 8.0124 117.3518 52.0086 41.5157 174.3227 168 P 4.6509 0.0000 0.0000 64.7035 31.8500 176.9973 169 Y 4.5605 7.6044 115.4105 57.7759 40.0255 174.7630 170 L 4.8702 8.1994 120.4023 53.1092 42.6858 175.8915 171 W 5.1373 9.0939 124.9841 54.7362 32.2565 176.6708 172 S 5.0628 8.6217 117.4454 57.9616 64.7479 173.0478 173 A 4.9598 9.0843 121.8623 50.9661 19.3138 175.7507 174 P 4.1885 0.0000 0.0000 62.5662 32.1147 176.3046 175 S 4.6776 8.1384 116.3216 57.2000 64.1318 173.7301 176 D 4.5096 8.5450 120.5406 53.5578 41.1771 174.8683 177 P 4.6199 0.0000 0.0000 62.8965 32.4662 175.2968 178 L 4.5565 8.8941 125.0838 53.2691 44.1627 174.9374 179 E 4.6205 8.8161 128.7475 55.5877 30.2032 175.2440 180 L 4.5769 9.2542 131.4081 54.0509 43.7485 175.7358 181 V 4.7980 8.5581 125.2646 58.9154 33.7428 175.0110 182 V 4.2174 8.5143 125.7832 60.1192 32.9737 176.1158 183 T 4.1640 8.4179 112.9693 61.7358 68.9197 174.3975 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.35 3.97 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 1 Q 7.76 4.40 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.29 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 2 S 8.13 4.27 0.00 3.82 3.80 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 3 G 8.02 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 4 P 0.00 4.42 0.00 2.17 2.08 0.00 3.77 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 1.98 1.99 0.00 5 L 8.09 4.14 0.00 1.46 1.69 0.97 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 6 P 0.00 4.71 0.00 2.15 2.12 0.00 3.85 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 2.14 2.04 0.00 7 K 9.04 4.61 0.00 1.86 1.89 0.00 1.20 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.35 7.81 8 P 0.00 5.01 0.00 2.40 2.65 0.00 3.96 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 2.15 2.29 0.00 9 S 9.15 4.89 0.00 3.86 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 10 L 8.34 5.05 0.00 1.62 1.56 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.03 4.76 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 12 A 8.40 5.11 1.11 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 0.00 0.00 13 L 8.98 4.89 0.00 1.49 1.51 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.50 0.00 2.17 2.15 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 S 7.23 4.49 0.00 3.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.29 4.12 0.00 3.53 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 3.84 0.00 1.38 1.41 -0.16 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.32 4.33 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 1.00 0.00 0.00 0.91 0.00 0.00 19 P 0.00 5.37 0.00 2.18 2.22 0.00 3.92 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 2.07 1.88 0.00 20 L 8.50 4.21 0.00 1.60 1.63 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.04 3.74 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 22 K 7.59 4.67 0.00 1.91 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.52 7.81 23 P 0.00 5.14 0.00 2.25 2.21 0.00 3.39 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 24 V 8.63 4.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.84 0.00 0.00 25 T 9.34 5.06 4.24 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 1.19 0.00 0.00 26 L 8.89 4.90 0.00 1.57 1.41 0.71 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.90 4.79 0.00 1.75 1.67 0.00 3.00 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 28 C 8.82 5.27 0.00 2.99 2.83 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 29 Q 9.68 4.55 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.32 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 30 G 9.28 4.24 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 0.00 0.00 0.00 31 P 0.00 4.62 0.00 2.12 2.05 0.00 3.10 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 32 P 0.00 4.18 0.00 2.16 2.06 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 33 G 8.78 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 34 V 7.36 3.52 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.18 0.00 0.00 35 D 8.40 4.73 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.34 4.61 0.00 1.63 1.18 1.09 1.06 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 37 Y 8.73 5.17 0.00 3.02 2.87 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 38 R 9.01 5.51 0.00 2.07 1.87 0.00 2.41 0.00 0.00 2.25 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 39 L 8.83 5.15 0.00 1.88 1.59 1.08 0.76 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 40 E 9.41 5.12 0.00 2.09 1.71 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 2.18 2.39 0.00 41 K 8.24 3.79 0.00 1.41 1.40 0.00 1.51 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.89 0.21 7.81 42 L 8.16 4.05 0.00 1.46 1.66 0.87 0.89 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 43 S 8.05 4.21 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 44 S 7.76 4.50 0.00 3.91 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 45 S 7.69 4.02 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.72 4.56 0.00 1.75 1.71 0.00 3.15 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 47 Y 8.06 5.30 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.25 4.82 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 49 D 8.84 5.26 0.00 2.80 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 50 Q 7.76 4.66 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 51 A 8.38 3.91 0.53 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 0.00 0.00 52 V 7.65 4.69 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 0.79 0.00 0.00 0.83 0.00 0.00 53 L 8.97 4.62 0.00 1.76 1.44 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.81 5.25 0.00 2.92 2.95 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 55 I 8.28 3.98 1.76 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 1.14 0.45 0.73 0.00 0.00 56 P 0.00 3.44 0.00 2.06 2.02 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 57 A 7.31 4.78 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 58 M 9.34 3.93 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 59 K 8.40 4.84 0.00 1.63 1.61 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.32 7.81 60 R 8.54 3.90 0.00 1.83 1.94 0.00 3.04 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 61 S 7.95 4.30 0.00 3.96 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 62 L 7.41 4.42 0.00 1.76 1.75 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.67 4.27 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 64 G 7.64 3.45 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 0.00 0.00 0.00 65 R 7.60 4.72 0.00 1.61 1.73 0.00 3.34 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.00 66 Y 8.99 5.19 0.00 2.75 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 67 R 8.90 5.14 0.00 1.71 1.75 0.00 3.06 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 68 C 8.79 5.51 0.00 3.20 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 69 S 9.21 5.36 0.00 3.78 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 70 Y 8.49 5.23 0.00 2.70 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.69 4.31 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 1.77 1.33 0.00 72 N 8.77 4.84 0.00 2.82 2.63 0.00 0.00 6.83 7.83 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 73 G 9.22 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 74 S 8.65 4.57 0.00 3.95 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 75 L 7.49 4.63 0.00 1.87 1.52 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.41 4.88 0.00 3.23 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 77 S 8.27 4.82 0.00 3.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.74 4.41 0.00 1.56 1.61 0.92 1.12 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 79 P 0.00 5.08 0.00 2.06 2.00 0.00 3.35 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.77 0.00 80 S 8.65 4.59 0.00 3.99 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 0.00 81 D 8.55 4.53 0.00 2.69 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 82 Q 8.39 4.34 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 83 L 9.16 4.20 0.00 1.69 1.56 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.58 4.29 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 85 L 8.83 3.95 0.00 1.49 1.63 0.71 0.58 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 86 V 7.91 4.37 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 0.00 0.00 -0.65 0.00 0.00 0.26 0.00 0.00 87 A 8.38 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.84 4.83 4.71 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 1.04 0.00 0.00 89 G 8.83 3.79 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 0.00 0.00 0.00 90 V 7.89 3.47 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 -0.11 0.00 0.00 0.86 0.00 0.00 91 F 7.56 5.06 0.00 3.06 2.45 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 92 A 8.91 4.70 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 93 K 9.06 4.99 0.00 1.91 1.95 0.00 1.28 0.00 0.00 2.47 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.35 7.81 94 P 0.00 4.97 0.00 2.33 2.47 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 95 S 9.23 4.93 0.00 3.84 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.44 5.24 0.00 1.62 1.55 0.92 0.89 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 97 S 8.45 4.64 0.00 3.79 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 98 A 8.19 4.41 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 *108 G 8.58 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 6.86 4.96 0.00 2.66 2.50 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 0.00 0.00 0.00 110 V 7.44 4.42 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 0.80 0.00 0.00 0.86 0.00 0.00 111 T 8.36 4.90 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 112 L 8.98 4.97 0.00 1.36 1.49 0.41 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.80 4.67 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 114 C 8.75 4.82 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.16 4.56 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 116 T 8.69 5.03 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.91 0.00 2.99 2.92 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 0.00 142 R 8.98 5.40 0.00 2.06 2.00 0.00 3.48 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 143 A 9.02 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.60 5.11 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.18 4.97 0.00 3.03 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 P 0.00 2.97 0.00 1.59 1.65 0.00 2.47 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.54 0.00 147 I 7.34 4.65 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.20 0.92 0.00 0.00 148 I 8.58 4.47 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.87 0.00 0.00 149 T 8.21 4.75 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 150 V 8.08 3.29 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 0.82 0.00 0.00 0.45 0.00 0.00 151 T 8.14 4.03 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 0.00 152 A 7.69 4.33 1.26 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 0.00 0.00 153 A 8.24 4.25 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 0.00 154 H 8.15 4.81 0.00 3.28 3.30 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.69 4.29 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.21 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 0.00 157 T 7.54 4.93 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 1.21 0.00 0.00 158 Y 8.71 4.78 0.00 2.98 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 0.00 159 R 7.78 5.00 0.00 1.33 1.63 0.00 3.09 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 160 C 9.32 5.81 0.00 3.22 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 0.00 161 Y 9.44 5.47 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 0.00 162 S 8.80 5.17 0.00 3.88 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 0.00 163 F 7.81 3.50 0.00 2.89 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 0.00 164 S 8.19 5.15 0.00 4.26 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 0.00 165 S 9.21 4.39 0.00 3.98 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 0.00 166 R 7.58 4.14 0.00 1.83 2.04 0.00 3.25 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 167 D 8.01 4.85 0.00 2.92 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 0.00 168 P 0.00 4.65 0.00 1.77 2.17 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.70 0.00 169 Y 7.60 4.56 0.00 2.87 2.92 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 0.00 170 L 8.20 4.87 0.00 1.73 1.65 1.01 0.93 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 0.00 171 W 9.09 5.14 0.00 3.17 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 0.00 172 S 8.62 5.06 0.00 4.44 4.34 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 0.00 173 A 9.08 4.96 1.42 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 0.00 0.00 0.00 174 P 0.00 4.19 0.00 1.95 1.77 0.00 3.89 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 175 S 8.14 4.68 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.54 4.51 0.00 2.69 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 0.00 177 P 0.00 4.62 0.00 2.05 2.01 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 178 L 8.89 4.56 0.00 1.68 1.58 0.84 0.66 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 0.00 179 E 8.82 4.62 0.00 2.01 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 2.29 2.38 0.00 180 L 9.25 4.58 0.00 1.76 1.94 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 181 V 8.56 4.80 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 0.90 0.00 0.00 0.94 0.00 0.00 182 V 8.51 4.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 183 T 8.42 4.16 4.24 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.