NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3709 8.2027 121.0277 55.7829 32.0829 173.9497 2 V 4.4113 8.0583 114.7239 64.7464 34.6583 172.4821 3 Q 4.5028 9.1549 129.1849 54.2555 32.2814 169.4525 4 L 4.9685 8.6015 124.9616 52.6772 43.9220 176.1345 5 V 4.6813 8.7203 116.5101 59.6935 34.9371 174.8517 6 Q 5.3231 8.6598 123.7072 53.8248 31.2685 175.6653 7 S 4.3624 8.5138 116.6168 58.3174 63.9613 174.1298 8 G 3.9989 8.5484 108.3537 45.2727 0.0000 172.9340 9 A 4.4489 8.5777 121.3103 52.7469 18.9178 176.7547 10 E 4.7347 9.0265 121.1713 54.2578 33.5329 174.5452 11 V 4.9212 8.3726 124.2416 61.1447 34.0776 174.6998 12 K 4.8588 9.1950 126.3051 54.7099 36.9648 175.4505 13 R 5.0769 7.8413 119.2850 53.0289 32.0805 174.1411 14 P 4.4248 0.0000 0.0000 64.7532 31.6956 177.0204 15 G 3.8876 9.1845 111.4496 45.0495 0.0000 173.1951 16 S 4.7121 7.6163 114.6218 57.1940 65.7982 172.9704 17 S 5.1602 8.2928 114.6455 57.0230 66.6477 174.2088 18 V 4.4981 8.2263 119.5011 60.8424 34.9202 173.1305 19 T 4.9283 8.3880 118.9491 61.7905 71.0791 173.4536 20 V 4.4870 8.5253 125.8483 61.1614 34.8254 174.2263 21 S 5.2252 8.9588 122.3793 56.9189 66.0559 172.3680 22 C 4.9329 9.6221 123.8786 54.8128 47.2356 172.2328 23 K 4.9452 8.9024 128.1578 54.6199 34.0117 174.5865 24 A 5.1867 8.8049 131.5673 50.8592 21.4702 176.4382 25 S 4.6136 8.3750 119.2262 57.6566 66.5673 170.6460 26 G 4.0551 8.7533 112.8649 45.7991 0.0000 174.6315 27 G 3.7071 8.4235 109.1722 44.3704 0.0000 172.5634 28 S 4.5606 8.2451 113.3046 57.0354 62.8116 173.6342 29 F 4.4594 9.0109 130.7206 61.4119 39.6129 176.5180 30 S 4.1516 8.2970 116.5161 60.6406 62.9254 175.3838 31 T 4.6259 7.3292 106.9372 61.0683 68.7147 173.2254 32 Y 4.5530 7.6252 117.5233 56.2600 41.6495 174.9206 33 A 4.1853 9.4896 126.3013 51.8454 19.8297 176.0879 34 L 4.9506 8.5142 124.4921 53.2926 44.9538 175.4696 35 S 4.9868 8.8323 120.8312 56.4457 67.7794 172.6729 36 W 5.0020 8.8137 121.7207 54.9122 31.8008 175.0410 37 V 5.0712 9.2216 124.8913 61.0302 34.3357 174.4033 38 R 5.0541 9.1903 123.9709 54.6064 33.0031 174.7519 39 Q 4.9195 8.7756 121.4739 54.8889 32.5294 173.6843 40 A 4.6409 8.6917 128.2182 50.0470 20.9038 174.5031 41 P 4.2010 0.0000 0.0000 64.2769 31.6141 176.4799 42 G 3.9828 8.9502 111.0687 46.5235 0.0000 172.5694 43 R 4.6557 8.0475 117.4835 53.8496 33.9722 174.9341 44 G 4.0283 8.2917 108.2876 44.4387 0.0000 173.1856 45 L 4.6505 8.1643 118.9133 54.6995 42.7673 177.0979 46 E 4.8476 9.2391 121.1401 54.4035 33.4995 174.6691 47 W 4.6015 9.3616 135.0000 58.1432 31.2373 174.9277 48 M 3.9961 8.5104 127.1607 55.3475 33.3566 176.3246 49 G 3.1110 6.1020 103.0630 46.4748 0.0000 170.8585 50 G 4.7022 8.0290 106.4334 45.5727 0.0000 172.6017 51 V 4.9483 9.0580 119.1009 60.1857 35.2111 174.2154 52 I 4.1016 8.4961 126.0112 59.2664 37.9518 174.6760 53 P 4.0148 0.0000 0.0000 65.2093 31.3344 176.4878 54 L 4.0242 7.7044 120.4512 56.4818 41.7903 176.8301 55 L 3.6543 8.7572 124.6044 54.5428 39.7987 174.6411 56 T 3.4190 8.0253 114.4319 64.6227 66.3381 173.1780 57 I 4.2175 7.9569 122.3334 61.0210 38.3290 177.4885 58 T 4.8119 8.2794 117.3310 60.4155 71.6960 174.2151 59 N 4.6896 8.2365 120.4264 53.4330 41.6116 172.4040 60 Y 5.0607 8.6430 123.9651 56.0338 40.5498 175.5864 61 A 4.6079 9.0528 126.0011 51.3363 19.1759 176.7299 62 P 4.2172 0.0000 0.0000 65.7858 31.6652 178.5744 63 R 3.7811 8.1510 116.6821 58.4030 30.0529 176.5778 64 F 4.8064 8.3263 114.6798 56.8958 41.1163 174.9929 65 Q 3.8345 7.4588 121.3788 57.9860 29.0591 175.9136 66 G 4.0369 8.9212 112.1938 45.1143 0.0000 173.9765 67 R 5.0127 8.4612 116.1551 55.0347 31.5024 175.8445 68 I 5.1899 7.3503 111.4007 59.7338 41.4169 174.7941 69 T 4.7097 8.7786 119.1926 62.3869 72.8014 172.8479 70 I 5.1154 9.1770 128.1160 59.8501 39.4138 175.1236 71 T 4.9830 8.9163 115.1805 60.2649 72.9753 172.4047 72 A 5.1949 8.5995 122.4923 50.4745 22.5027 175.0990 73 D 4.8782 9.5146 122.8773 52.6279 42.3564 177.0720 74 R 4.3089 8.8420 126.8220 58.8842 30.5118 178.9773 75 S 4.2218 7.9864 111.4276 59.8229 63.1809 174.5843 76 T 4.3847 6.8433 108.9389 60.1850 69.8310 173.8678 77 S 2.0000 7.5797 117.7418 59.4030 61.0580 171.1519 78 T 4.8156 7.2954 115.2861 61.6404 71.2247 173.3267 79 A 5.2420 9.1504 128.3170 50.7106 21.7862 175.2777 80 Y 5.4050 9.2585 117.8186 56.1140 42.5746 174.5713 81 L 4.4183 8.5439 124.0363 53.1396 44.9164 174.6066 82 E 4.6833 9.1071 128.8767 54.7137 31.6226 174.3734 83 L 4.9976 8.2983 127.8304 53.0736 43.7412 175.6619 84 N 5.0051 8.7958 121.5630 50.9102 40.4994 174.2926 85 S 3.8707 8.1686 112.2918 59.6516 59.8781 172.5348 86 L 4.5115 7.5957 120.8493 54.6724 42.8729 177.2586 87 R 5.0144 8.8174 119.7056 53.4620 34.1816 174.6600 88 P 4.7252 0.0000 0.0000 65.1200 31.3291 178.5147 89 E 4.2075 8.0836 115.5053 58.3203 29.5888 177.2693 90 D 4.6550 8.3297 118.1360 55.4986 41.3186 176.8620 91 T 4.3650 7.6397 115.3987 63.8504 68.8597 172.9044 92 A 4.3143 8.0852 125.8143 51.6154 22.5273 174.5845 93 V 4.3432 8.2303 119.6136 62.1153 33.3606 174.6938 94 Y 4.9433 8.5249 124.2269 56.5837 40.5868 174.2500 95 Y 5.0090 9.4083 123.5664 57.2000 40.2032 172.6226 96 C 4.5266 9.1001 117.0658 53.6960 39.9061 172.5005 97 A 4.6230 8.0873 121.7632 50.1856 22.4005 174.9452 98 R 4.9408 8.5442 121.9855 53.9455 33.1398 175.0722 99 E 4.5841 8.8011 124.1020 56.6387 30.8266 177.1767 100 G 4.2206 8.5755 109.3673 45.8579 0.0000 172.1568 101 T 5.4214 8.1463 108.5163 60.0065 72.0828 174.0567 102 T 3.7829 9.3095 115.3496 65.2731 68.9106 171.5966 103 G 3.5932 9.5226 122.0762 45.5122 0.0000 173.8898 *106 W 4.6115 8.4719 118.4706 55.2927 31.0200 178.0694 107 L 4.8442 7.8137 117.8437 55.3077 41.9357 176.7081 108 G 4.0308 7.7937 109.0353 44.2656 0.0000 172.9184 109 K 4.3710 7.9450 120.0262 55.2649 33.0687 175.8192 110 P 5.2096 0.0000 0.0000 63.2342 31.8029 176.0796 111 I 4.0776 8.7461 114.3658 60.6486 38.2195 176.1263 112 G 4.1226 8.9036 116.6182 45.9191 0.0000 174.3071 113 A 3.4353 7.4019 122.8393 51.4441 18.9366 176.7505 114 F 4.7578 7.7181 118.7324 56.4019 38.5862 175.8353 115 A 4.4598 8.5110 128.1794 53.2707 19.8032 176.5589 116 H 5.0315 8.1284 113.0902 53.9164 31.5650 173.3113 117 W 5.1227 9.0512 122.5402 54.6184 32.6489 175.6438 118 G 4.0935 8.8702 112.6855 46.2805 0.0000 174.3765 119 Q 4.3692 8.8077 117.2055 55.7489 28.5889 174.2786 120 G 3.8522 9.0064 101.3277 45.9724 0.0000 172.9673 121 T 4.5731 8.0765 115.5054 61.3723 72.3740 173.0270 122 L 4.7199 8.6005 129.3837 54.5517 44.0040 175.2993 123 V 4.6794 9.0096 126.4471 61.6070 33.9867 174.0230 124 T 4.8500 8.5829 125.2593 61.8911 70.7922 173.7675 125 V 4.7567 8.2921 126.3322 61.4313 32.8896 174.3611 126 S 4.7969 9.2575 124.7866 57.8330 65.7571 175.3848 127 S 4.4889 8.9693 122.7051 59.7497 62.9782 175.5646 128 L 4.3530 7.5926 122.5238 55.1829 41.6678 181.0367 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 1 Q 8.20 4.37 0.00 1.76 1.96 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 2.26 1.94 0.00 2 V 8.06 4.41 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 0.91 0.00 0.00 0.71 0.00 0.00 3 Q 9.15 4.50 0.00 1.72 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.74 0.00 0.00 0.00 0.00 0.00 2.25 1.95 0.00 4 L 8.60 4.97 0.00 1.57 1.53 0.75 0.83 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 5 V 8.72 4.68 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 0.74 0.00 0.00 0.92 0.00 0.00 6 Q 8.66 5.32 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 7 S 8.51 4.36 0.00 3.94 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 8 G 8.55 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 9 A 8.58 4.45 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 10 E 9.03 4.73 0.00 2.06 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 11 V 8.37 4.92 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 0.88 0.00 0.00 0.94 0.00 0.00 12 K 9.19 4.86 0.00 1.62 1.59 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.47 7.81 13 R 7.84 5.08 0.00 1.99 2.03 0.00 3.22 0.00 0.00 3.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 14 P 0.00 4.42 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 15 G 9.18 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 16 S 7.62 4.71 0.00 3.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 5.16 0.00 3.66 3.68 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 0.00 0.00 0.00 0.00 18 V 8.23 4.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.86 0.00 0.00 19 T 8.39 4.93 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 1.13 0.00 0.00 20 V 8.53 4.49 1.73 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 1.04 0.00 0.00 0.81 0.00 0.00 21 S 8.96 5.23 0.00 3.87 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 22 C 9.62 4.93 0.00 2.75 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 23 K 8.90 4.95 0.00 1.78 1.71 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.25 7.81 24 A 8.80 5.19 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 25 S 8.38 4.61 0.00 3.40 3.68 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 0.00 0.00 0.00 0.00 26 G 8.75 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.42 3.71 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 0.00 0.00 0.00 28 S 8.25 4.56 0.00 4.03 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 0.00 29 F 9.01 4.46 0.00 2.92 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 30 S 8.30 4.15 0.00 3.96 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 31 T 7.33 4.63 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 1.15 0.00 0.00 32 Y 7.63 4.55 0.00 2.86 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 33 A 9.49 4.19 1.32 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 34 L 8.51 4.95 0.00 1.57 1.46 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.83 4.99 0.00 2.89 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 36 W 8.81 5.00 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 37 V 9.22 5.07 2.38 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 1.41 0.00 0.00 1.11 0.00 0.00 38 R 9.19 5.05 0.00 1.13 1.88 0.00 2.50 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 39 Q 8.78 4.92 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 40 A 8.69 4.64 1.30 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 0.00 0.00 41 P 0.00 4.20 0.00 2.06 2.07 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 42 G 8.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.05 4.66 0.00 1.93 1.86 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 44 G 8.29 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 45 L 8.16 4.65 0.00 1.68 1.81 0.93 0.89 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 46 E 9.24 4.85 0.00 2.18 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 0.00 2.39 2.38 0.00 47 W 9.36 4.60 0.00 3.47 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 48 M 8.51 4.00 0.00 1.40 1.90 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.47 0.00 49 G 6.10 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 0.00 0.00 0.00 50 G 8.03 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.06 4.95 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 0.67 0.00 0.00 nan 0.00 0.00 52 I 8.50 4.10 1.82 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 1.18 0.88 0.82 0.00 0.00 53 P 0.00 4.01 0.00 1.85 1.86 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 1.19 1.48 0.00 54 L 7.70 4.02 0.00 1.64 1.56 0.92 1.28 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 55 L 8.76 3.65 0.00 1.84 1.82 0.91 1.01 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 56 T 8.03 3.42 4.26 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 1.25 0.00 0.00 57 I 7.96 4.22 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.91 0.00 0.00 58 T 8.28 4.81 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 1.18 0.00 0.00 59 N 8.24 4.69 0.00 2.95 2.83 0.00 0.00 7.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.64 5.06 0.00 3.10 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 61 A 9.05 4.61 1.73 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 62 P 0.00 4.22 0.00 2.25 2.20 0.00 3.82 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 63 R 8.15 3.78 0.00 1.66 1.78 0.00 3.05 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.34 0.00 64 F 8.33 4.81 0.00 3.28 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 65 Q 7.46 3.83 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 66 G 8.92 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 67 R 8.46 5.01 0.00 1.81 1.95 0.00 3.09 0.00 0.00 3.33 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 68 I 7.35 5.19 1.74 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 1.54 0.63 0.85 0.00 0.00 69 T 8.78 4.71 4.20 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 0.00 0.00 0.00 1.25 0.00 0.00 70 I 9.18 5.12 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 1.07 0.00 0.00 71 T 8.92 4.98 4.36 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 1.27 0.00 0.00 72 A 8.60 5.19 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 73 D 9.51 4.88 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.84 4.31 0.00 2.03 2.14 0.00 3.32 0.00 0.00 3.60 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.75 0.00 75 S 7.99 4.22 0.00 3.93 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 76 T 6.84 4.38 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 1.21 0.00 0.00 77 S 7.58 2.00 0.00 3.74 3.42 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 78 T 7.30 4.82 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 0.70 0.00 0.00 79 A 9.15 5.24 1.34 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 0.00 0.00 80 Y 9.26 5.40 0.00 2.95 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 81 L 8.54 4.42 0.00 0.27 0.13 0.39 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.11 4.68 0.00 1.92 1.69 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 2.12 2.16 0.00 83 L 8.30 5.00 0.00 1.51 1.41 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.80 5.01 0.00 2.77 2.85 0.00 0.00 6.55 7.28 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 85 S 8.17 3.87 0.00 4.03 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 86 L 7.60 4.51 0.00 1.64 1.58 0.91 1.04 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 87 R 8.82 5.01 0.00 1.84 1.78 0.00 3.16 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 88 P 0.00 4.73 0.00 2.18 2.14 0.00 3.88 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 2.13 2.10 0.00 89 E 8.08 4.21 0.00 1.99 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 2.33 2.35 0.00 90 D 8.33 4.66 0.00 2.89 2.84 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 91 T 7.64 4.36 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 1.24 0.00 0.00 92 A 8.09 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.23 4.34 1.89 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 0.32 0.00 0.00 0.86 0.00 0.00 94 Y 8.52 4.94 0.00 3.01 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 Y 9.41 5.01 0.00 3.35 3.18 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 96 C 9.10 4.53 0.00 1.82 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 97 A 8.09 4.62 -0.49 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 98 R 8.54 4.94 0.00 1.74 1.61 0.00 3.16 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 99 E 8.80 4.58 0.00 2.25 2.19 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 2.65 2.48 0.00 100 G 8.58 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 0.00 0.00 0.00 0.00 101 T 8.15 5.42 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 1.22 0.00 0.00 102 T 9.31 3.78 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 1.22 0.00 0.00 103 G 9.52 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 0.00 0.00 0.00 *106 W 8.47 4.61 0.00 2.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.81 4.84 0.00 1.89 1.75 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.79 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 0.00 109 K 7.94 4.37 0.00 1.95 1.72 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.39 7.81 110 P 0.00 5.21 0.00 2.33 2.19 0.00 3.78 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 1.96 1.83 0.00 111 I 8.75 4.08 1.86 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 1.24 0.71 0.92 0.00 0.00 112 G 8.90 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.40 3.44 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 0.00 114 F 7.72 4.76 0.00 2.78 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.51 4.46 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 0.00 116 H 8.13 5.03 0.00 2.95 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 9.05 5.12 0.00 3.03 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 0.00 118 G 8.87 4.09 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 0.00 0.00 0.00 119 Q 8.81 4.37 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.26 1.92 0.00 120 G 9.01 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 0.00 121 T 8.08 4.57 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 1.27 0.00 0.00 122 L 8.60 4.72 0.00 1.77 1.55 0.95 0.81 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 0.00 123 V 9.01 4.68 2.26 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 0.89 0.00 0.00 0.85 0.00 0.00 124 T 8.58 4.85 4.26 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 1.23 0.00 0.00 125 V 8.29 4.76 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 0.95 0.00 0.00 1.00 0.00 0.00 126 S 9.26 4.80 0.00 3.88 3.62 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 0.00 127 S 8.97 4.49 0.00 3.67 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 0.00 128 L 7.59 4.35 0.00 1.59 1.37 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.