NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5030 0.0000 0.0000 61.9352 34.0666 175.4651 3 S 5.1397 8.0261 111.3550 56.6048 65.5872 171.7259 4 I 4.7025 9.2030 124.2063 60.0405 42.6241 173.3620 5 K 5.1359 8.7301 124.4011 54.8363 34.6161 175.0748 6 L 5.1275 9.4530 124.7929 52.9767 44.9654 175.2355 7 Q 5.1789 8.8010 124.1436 54.0663 31.5712 175.1740 8 S 4.9502 9.4087 122.6035 58.2387 64.2174 175.4281 9 S 4.4709 9.5202 116.3197 59.7525 63.6131 174.6192 10 D 4.8606 8.1013 120.2929 53.6512 39.9127 175.8714 11 G 4.3231 8.4609 112.3004 47.1460 0.0000 175.3591 12 E 3.9215 7.9233 119.8190 56.4443 30.7505 176.3326 13 I 5.0321 7.9199 123.1048 59.7095 39.7433 174.7569 14 F 4.8770 9.3386 126.2742 55.6946 41.9102 174.8834 15 E 4.9732 8.9809 122.4854 55.3228 30.5006 175.7154 16 V 4.4931 8.3399 118.2772 59.0745 35.2398 175.2730 17 D 4.8566 8.4508 121.5596 53.9932 42.0520 177.3702 18 V 3.6056 8.5072 119.8812 64.9422 31.3069 178.6169 19 E 4.0092 9.4384 119.1159 58.9584 29.6037 178.4473 20 I 3.9650 7.5730 119.3300 63.8443 37.3646 177.9022 21 A 4.0440 8.2991 121.9880 54.8256 18.0079 179.5029 22 K 3.8812 7.9885 117.2024 59.2977 32.2677 178.5689 23 Q 4.2588 7.6026 117.4064 56.9578 28.8439 176.1429 24 S 4.5606 7.7757 115.9135 56.4066 63.1438 174.4920 25 V 3.6264 8.1903 128.3918 66.4564 31.0239 178.0525 26 T 3.7394 7.6726 114.9029 66.8562 68.4971 176.8776 27 I 3.6895 7.5064 120.9281 63.7764 36.7665 178.6672 28 K 3.8868 8.2130 120.5195 59.8174 32.3619 178.3080 29 T 3.9538 8.1192 113.6810 65.4442 67.1388 175.8408 30 M 4.0508 7.7785 120.5239 58.3959 31.9472 178.4658 31 L 4.1929 7.5368 115.4981 57.0865 41.9643 176.7518 32 E 4.5071 8.1739 116.3507 57.6937 32.7762 177.0452 33 D 4.6079 8.5803 118.0002 55.7119 40.9735 177.2281 34 L 4.5247 8.4652 117.7994 53.8324 47.8482 176.1081 35 G 3.9958 7.9518 106.1264 46.7488 0.0000 171.9938 36 M 4.4465 7.2391 117.5507 53.8662 34.3843 176.0622 *43 D 5.1031 7.6281 118.0251 54.4241 43.2611 175.2502 44 P 4.7227 0.0000 0.0000 61.7781 30.2429 173.9895 45 V 3.5868 8.6375 122.4592 62.7393 32.8139 172.9903 46 P 4.6848 0.0000 0.0000 62.2178 31.6598 177.2547 47 L 4.9857 8.3615 126.2665 52.2317 41.4955 175.7388 48 P 4.3414 0.0000 0.0000 64.9048 31.7825 177.7577 49 N 4.4947 7.7758 114.5070 52.6404 39.0202 174.4710 50 V 4.3211 7.6241 119.3874 60.2267 34.1095 175.2178 51 N 5.0847 8.8494 126.4701 51.4606 39.8771 175.5705 52 A 4.3674 8.9532 121.2977 55.0801 17.8476 179.8744 53 A 3.9873 7.9938 119.0345 55.4399 18.6260 179.7688 54 I 3.6748 7.8274 117.7781 64.4687 37.2241 178.2595 55 L 3.8739 7.8406 121.1821 58.2645 41.9072 178.9413 56 K 3.5412 7.5721 119.2070 59.0971 31.9925 179.0352 57 K 4.2130 7.6187 117.6723 59.5076 32.1121 179.2985 58 V 3.8398 8.1714 118.9389 66.3185 31.2840 178.1574 59 I 3.7597 8.2612 119.8612 64.2144 36.8469 178.1303 60 Q 4.0567 8.0267 119.9543 59.0525 29.0274 178.1462 61 W 3.9442 8.8457 129.6346 60.8224 30.5305 177.7793 62 C 4.2684 8.3842 115.3126 62.9112 27.8787 176.0088 63 T 3.9444 8.0743 117.9250 66.6912 67.8291 176.2437 64 H 3.5937 7.8405 119.2331 58.4776 29.5814 176.2770 65 H 5.1599 7.5996 119.1066 54.3436 29.6876 177.4352 66 K 3.9498 7.4186 122.1724 59.6403 32.7267 177.6710 67 D 4.5123 7.6922 117.8299 55.9642 42.1708 177.7876 68 D 4.4414 7.0989 118.2255 53.7098 41.0829 174.5022 *85 I 4.2453 8.1161 121.2253 61.3324 38.4041 174.4449 86 P 4.5141 0.0000 0.0000 62.4447 33.1852 177.5112 87 V 3.6730 8.4572 119.6337 66.1344 31.4470 178.3103 88 W 4.0706 8.3255 127.5709 60.6048 30.5911 177.5171 89 D 4.7141 8.3984 118.3764 57.0546 40.1839 178.7235 90 Q 4.0377 8.0550 118.4795 58.9660 29.2181 177.9973 91 E 4.0244 8.4840 119.0761 59.3586 29.2091 178.8866 92 F 3.8378 7.8576 121.1033 60.4714 39.3783 176.1807 93 L 4.3615 7.6153 116.1514 53.9820 43.4703 177.9410 94 K 4.2289 7.3023 121.5388 55.2612 30.4514 174.9270 95 V 4.4961 6.9226 113.7517 58.2914 36.2991 176.0241 96 D 4.5707 8.2121 120.3421 53.3575 40.7559 176.9363 97 Q 4.2043 8.8662 119.9473 59.3993 28.5861 179.9755 98 G 3.6515 8.0495 105.8968 48.1497 0.0000 175.6203 99 T 3.8667 8.4522 119.1019 66.1946 68.4704 176.4159 100 L 3.8532 7.7819 121.6805 58.1811 41.9143 178.8168 101 F 3.9909 8.5328 120.6836 61.2263 39.3413 177.0467 102 E 4.0643 8.5591 118.4653 59.2810 29.1356 179.2487 103 L 3.9255 8.5848 119.4252 58.0315 41.7342 179.6581 104 I 3.2394 7.7621 119.6055 64.1775 36.8039 178.6453 105 L 3.8098 7.4195 119.6768 57.4860 41.4295 179.0203 106 A 4.2926 8.4602 120.7681 55.3047 18.3893 179.1895 107 A 3.8927 8.7886 120.2337 55.5118 18.3181 179.4883 108 N 4.1457 8.0721 115.1111 56.9195 38.8946 176.3224 109 Y 4.2318 8.5214 120.6323 60.8689 39.3736 177.7084 110 L 3.7462 8.8253 118.7118 53.9370 43.1144 175.5532 111 D 4.4997 7.6998 117.8979 55.3916 39.9695 173.3104 112 I 4.6168 8.0259 123.7336 58.7825 37.1417 176.7603 113 K 4.0677 8.0801 124.8679 59.3355 32.0325 177.5073 114 G 3.7990 8.0709 105.5394 47.9552 0.0000 175.4090 115 L 2.5753 7.2921 122.6944 56.4578 41.8476 178.3644 116 L 3.8873 7.8042 120.4119 57.4296 41.9167 178.5014 117 D 4.2388 7.5536 118.5381 57.5181 41.2964 178.6446 118 V 3.7195 7.3424 112.1015 64.4822 31.4974 178.7705 119 T 3.8926 7.6862 109.2648 64.9894 68.7146 176.6252 120 C 4.1160 7.8196 119.6733 62.4322 28.0680 176.1772 121 K 4.1247 8.2626 119.9167 59.2909 31.4797 179.6496 122 T 3.9393 7.9529 116.6009 66.5464 68.5181 177.0229 123 V 3.7731 7.9287 119.9721 65.6075 31.4806 178.0597 124 A 4.0554 7.9105 120.8457 55.2113 18.0537 179.3572 125 N 4.4509 8.2059 113.7669 56.2433 38.5983 177.2367 126 M 4.2693 7.6005 120.0880 58.1659 31.9135 178.3996 127 I 3.9575 7.7757 119.6486 63.2087 37.4396 176.9099 128 K 3.9272 7.3950 118.4085 58.2847 32.5808 175.5748 129 G 4.3537 9.0538 115.5402 45.7238 0.0000 174.4061 130 K 4.1024 7.1165 117.6478 55.9838 32.7398 177.5338 131 T 4.4075 8.2135 112.4329 60.0426 71.7859 174.0508 132 P 4.2516 0.0000 0.0000 65.8195 31.1450 178.6163 133 E 3.8958 8.0547 117.3592 59.5082 29.8839 178.5638 134 E 3.9592 7.8930 118.5711 59.3731 29.5031 179.5735 135 I 3.8184 7.8452 121.4219 63.5391 37.2480 178.5224 136 R 4.0023 7.8819 118.7913 59.9150 29.9473 178.2970 137 K 3.7531 8.3482 117.5075 60.2649 31.5494 178.7847 138 T 3.5859 8.1156 107.5731 66.4603 68.4253 175.1002 139 F 5.0479 7.7974 121.3937 55.0173 40.2719 175.4474 140 N 4.1761 7.7370 113.7677 54.1055 36.8515 171.4919 141 I 4.5539 8.1473 120.0975 58.2024 40.2408 175.8050 142 K 3.9467 8.5849 126.6224 56.3742 32.5549 176.2990 143 N 4.6573 8.5015 124.8977 52.7131 37.5701 174.3266 144 D 4.3768 8.2048 124.4769 55.5599 41.2246 177.0005 145 F 4.9126 7.7469 117.9473 57.1609 40.2403 174.5011 146 T 4.7177 8.7251 118.0562 61.7125 70.4933 176.1656 147 E 4.2349 8.8375 124.5699 59.1210 29.7428 178.7487 148 E 4.2264 8.1104 118.7545 58.1291 30.5522 178.1207 149 E 4.0478 8.7423 119.2905 59.3046 29.6753 178.8244 150 E 3.7402 8.0466 117.5184 58.7281 29.5598 179.1209 151 A 3.9517 7.3984 120.3573 54.8978 18.3419 179.4519 152 Q 3.8653 7.6617 118.0050 59.1748 29.0187 178.0321 153 V 3.7017 7.7229 119.8393 65.4077 31.7695 177.6665 154 R 3.9501 7.8227 118.1018 59.2069 30.0387 178.4261 155 K 4.0631 7.8361 119.1407 59.5556 31.8002 178.3114 156 E 4.4064 9.1543 118.6183 57.9603 29.0178 177.6701 157 N 4.9860 7.5200 114.9355 52.8937 39.8169 175.5501 158 Q 4.0592 8.4282 120.2762 58.8087 28.9240 178.5971 159 W 4.5181 8.5053 113.3173 59.7297 28.0242 175.3215 160 C 3.5952 6.1351 121.1464 59.0218 30.6943 172.7217 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 4.50 0.00 1.78 2.13 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 3 S 8.03 5.14 0.00 3.92 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 4 I 9.20 4.70 1.90 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 1.24 0.55 0.94 0.00 0.00 5 K 8.73 5.14 0.00 1.72 1.74 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.47 7.81 6 L 9.45 5.13 0.00 1.73 1.66 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.80 5.18 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 8 S 9.41 4.95 0.00 4.16 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 9 S 9.52 4.47 0.00 3.91 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 0.00 10 D 8.10 4.86 0.00 2.77 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 11 G 8.46 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.92 3.92 0.00 1.87 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 2.18 2.27 0.00 13 I 7.92 5.03 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.92 0.00 0.00 14 F 9.34 4.88 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.98 4.97 0.00 1.89 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 2.26 2.34 0.00 16 V 8.34 4.49 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 0.89 0.00 0.00 0.97 0.00 0.00 17 D 8.45 4.86 0.00 2.68 2.52 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 18 V 8.51 3.61 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 0.82 0.00 0.00 0.93 0.00 0.00 19 E 9.44 4.01 0.00 1.87 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 2.30 2.37 0.00 20 I 7.57 3.96 2.00 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 1.53 1.21 0.96 0.00 0.00 21 A 8.30 4.04 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 22 K 7.99 3.88 0.00 1.89 2.08 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 Q 7.60 4.26 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 24 S 7.78 4.56 0.00 3.82 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 25 V 8.19 3.63 2.16 0.00 0.00 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 0.98 0.00 0.00 26 T 7.67 3.74 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 0.78 0.00 0.00 27 I 7.51 3.69 1.99 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 1.36 0.97 0.91 0.00 0.00 28 K 8.21 3.89 0.00 1.95 1.93 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.43 7.81 29 T 8.12 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 M 7.78 4.05 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 31 L 7.54 4.19 0.00 1.79 1.73 0.93 0.68 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 32 E 8.17 4.51 0.00 2.16 1.79 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 2.21 2.38 0.00 33 D 8.58 4.61 0.00 2.71 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 34 L 8.47 4.52 0.00 1.77 1.65 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.95 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 0.00 0.00 0.00 36 M 7.24 4.45 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 *43 D 7.63 5.10 0.00 2.68 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 44 P 0.00 4.72 0.00 1.96 2.04 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 45 V 8.64 3.59 2.13 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 0.96 0.00 0.00 1.05 0.00 0.00 46 P 0.00 4.68 0.00 2.03 2.03 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 47 L 8.36 4.99 0.00 2.03 1.77 1.00 0.89 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 48 P 0.00 4.34 0.00 2.14 2.20 0.00 3.99 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 49 N 7.78 4.49 0.00 1.44 2.10 0.00 0.00 6.62 7.68 0.00 0.00 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 V 7.62 4.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.21 0.00 0.00 51 N 8.85 5.08 0.00 3.18 2.99 0.00 0.00 6.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.95 4.37 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 53 A 7.99 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.83 3.67 1.90 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 1.68 0.91 0.92 0.00 0.00 55 L 7.84 3.87 0.00 1.95 1.36 1.02 0.49 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 56 K 7.57 3.54 0.00 1.96 2.00 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.63 7.81 57 K 7.62 4.21 0.00 2.16 1.95 0.00 1.74 0.00 0.00 1.46 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.69 1.49 7.81 58 V 8.17 3.84 2.25 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 1.10 0.00 0.00 0.99 0.00 0.00 59 I 8.26 3.76 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.93 0.00 0.00 60 Q 8.03 4.06 0.00 2.51 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.87 2.67 0.00 61 W 8.85 3.94 0.00 2.96 3.25 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 62 C 8.38 4.27 0.00 3.27 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 63 T 8.07 3.94 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 1.14 0.00 0.00 64 H 7.84 3.59 0.00 2.00 2.37 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.60 5.16 0.00 2.36 2.78 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.42 3.95 0.00 1.80 1.91 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.30 7.81 67 D 7.69 4.51 0.00 2.56 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 68 D 7.10 4.44 0.00 2.71 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 *85 I 8.12 4.25 1.94 0.00 0.00 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 1.50 0.54 1.03 0.00 0.00 86 P 0.00 4.51 0.00 2.37 2.10 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 87 V 8.46 3.67 2.18 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 1.18 0.00 0.00 0.99 0.00 0.00 88 W 8.33 4.07 0.00 3.45 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 89 D 8.40 4.71 0.00 3.18 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 90 Q 8.06 4.04 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 91 E 8.48 4.02 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 92 F 7.86 3.84 0.00 1.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.36 0.00 1.68 1.63 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.30 4.23 0.00 1.86 1.67 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.51 7.81 95 V 6.92 4.50 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 0.66 0.00 0.00 0.85 0.00 0.00 96 D 8.21 4.57 0.00 2.89 2.78 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 97 Q 8.87 4.20 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 98 G 8.05 3.65 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 0.00 0.00 0.00 99 T 8.45 3.87 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 1.12 0.00 0.00 100 L 7.78 3.85 0.00 1.80 1.90 0.89 0.81 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 0.00 101 F 8.53 3.99 0.00 3.23 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 0.00 102 E 8.56 4.06 0.00 2.24 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 2.78 2.55 0.00 103 L 8.58 3.93 0.00 1.74 1.65 0.74 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.76 3.24 1.59 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 1.40 0.65 0.73 0.00 0.00 105 L 7.42 3.81 0.00 1.73 1.62 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.46 4.29 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 3.89 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 0.00 108 N 8.07 4.15 0.00 2.89 2.96 0.00 0.00 6.88 7.70 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 0.00 109 Y 8.52 4.23 0.00 2.83 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 0.00 110 L 8.83 3.75 0.00 1.60 1.56 0.93 0.77 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 0.00 111 D 7.70 4.50 0.00 2.79 2.52 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 0.00 112 I 8.03 4.62 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.99 0.00 0.00 113 K 8.08 4.07 0.00 1.86 1.84 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.64 7.81 114 G 8.07 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 0.00 0.00 0.00 115 L 7.29 2.58 0.00 0.27 1.07 0.68 -0.74 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 0.00 116 L 7.80 3.89 0.00 1.82 1.56 0.87 0.88 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 0.00 117 D 7.55 4.24 0.00 2.90 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 0.00 118 V 7.34 3.72 2.17 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 1.03 0.00 0.00 0.80 0.00 0.00 119 T 7.69 3.89 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 120 C 7.82 4.12 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.26 4.12 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.47 1.69 7.81 122 T 7.95 3.94 4.43 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 1.25 0.00 0.00 123 V 7.93 3.77 2.16 0.00 0.00 0.00 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 0.98 0.00 0.00 124 A 7.91 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.21 4.45 0.00 2.91 2.93 0.00 0.00 7.12 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 0.00 126 M 7.60 4.27 0.00 1.97 2.59 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.62 0.00 127 I 7.78 3.96 2.12 0.00 0.00 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 1.86 1.55 0.98 0.00 0.00 128 K 7.39 3.93 0.00 1.78 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.72 7.81 129 G 9.05 4.35 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 0.00 130 K 7.12 4.10 0.00 1.89 1.72 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.42 7.81 131 T 8.21 4.41 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 1.22 0.00 0.00 132 P 0.00 4.25 0.00 2.18 2.18 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 133 E 8.05 3.90 0.00 2.08 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 2.37 2.45 0.00 134 E 7.89 3.96 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 135 I 7.85 3.82 2.10 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 1.58 1.78 1.16 0.00 0.00 136 R 7.88 4.00 0.00 2.03 2.16 0.00 3.19 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 137 K 8.35 3.75 0.00 1.89 1.72 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 138 T 8.12 3.59 3.65 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 1.01 0.00 0.00 139 F 7.80 5.05 0.00 3.24 3.06 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 0.00 140 N 7.74 4.18 0.00 2.77 2.78 0.00 0.00 6.89 7.41 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 0.00 141 I 8.15 4.55 1.94 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 1.33 1.18 0.94 0.00 0.00 142 K 8.58 3.95 0.00 1.70 1.70 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 143 N 8.50 4.66 0.00 2.77 2.79 0.00 0.00 7.13 8.47 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 0.00 144 D 8.20 4.38 0.00 2.23 2.47 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 0.00 145 F 7.75 4.91 0.00 3.28 2.94 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 0.00 146 T 8.73 4.72 4.35 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 1.28 0.00 0.00 147 E 8.84 4.23 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 148 E 8.11 4.23 0.00 2.01 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 2.36 2.33 0.00 149 E 8.74 4.05 0.00 2.36 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 2.41 2.43 0.00 150 E 8.05 3.74 0.00 1.92 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 2.04 2.50 0.00 151 A 7.40 3.95 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 0.00 152 Q 7.66 3.87 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 153 V 7.72 3.70 1.78 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 0.89 0.00 0.00 0.66 0.00 0.00 154 R 7.82 3.95 0.00 1.95 2.08 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 155 K 7.84 4.06 0.00 2.04 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 156 E 9.15 4.41 0.00 2.17 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 2.37 2.61 0.00 157 N 7.52 4.99 0.00 2.60 2.57 0.00 0.00 6.97 7.54 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 0.00 158 Q 8.43 4.06 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 159 W 8.51 4.52 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 0.00 160 C 6.14 3.60 0.00 1.23 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.