NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4103 8.3049 120.3490 55.5437 32.5170 175.0348 2 C 4.6639 7.8973 119.0711 53.2134 37.1645 171.3778 3 P 4.4354 0.0000 0.0000 61.8717 32.4417 173.7893 4 P 4.5613 0.0000 0.0000 64.1249 31.5859 177.2719 5 G 4.0467 9.1511 111.2260 44.9209 0.0000 173.3802 6 W 4.7792 7.8106 118.1440 55.9030 30.7762 176.0046 7 S 4.9923 9.2913 118.0916 56.9429 65.9350 173.0063 8 S 5.5195 8.3892 115.7236 57.0181 65.0191 172.9140 9 N 4.6590 9.8210 122.3717 54.0528 42.5523 174.5611 10 G 4.2318 9.5895 114.3699 48.3762 0.0000 172.8777 11 V 3.3864 7.6698 108.5338 62.7494 31.1628 172.9446 12 Y 4.7208 8.1888 115.1343 57.5829 42.6523 174.3631 13 C 5.5647 8.6211 119.1764 55.7062 41.0005 172.6611 14 Y 5.5712 9.8485 120.0028 56.7797 42.2422 174.0893 15 M 4.5343 8.7759 124.0365 54.4981 35.9966 173.9370 16 L 4.6043 7.8520 127.6098 53.5283 42.8832 173.4659 17 F 4.2223 8.6226 123.0537 53.6617 41.1666 176.5972 18 K 4.0918 8.0643 128.7515 55.9224 31.2144 177.9953 19 E 4.5957 7.4942 117.5173 53.7262 32.5881 175.2695 20 P 4.5111 0.0000 0.0000 63.2675 32.0711 175.9829 21 K 4.7133 8.9839 122.1412 55.2597 37.5001 175.8109 22 T 4.7829 8.2841 115.7414 62.2807 69.3045 175.8487 23 W 3.2003 8.2279 133.6242 60.7771 30.3626 177.9258 24 D 4.9820 8.4108 117.8693 58.0235 40.3548 178.9693 25 E 3.9454 8.1179 117.9687 59.1504 29.4929 179.0997 26 A 3.1152 7.9794 121.2468 54.5820 18.0587 179.1919 27 E 3.5325 7.7259 117.0669 59.1987 29.8598 178.5827 28 K 4.0060 8.0428 119.5993 59.4720 32.2307 178.2375 29 F 3.9664 8.5652 121.2027 61.7696 39.1500 176.5802 30 C 4.6417 8.7077 116.2327 59.6132 39.7928 174.9865 31 N 4.6892 7.5925 117.4221 53.3431 37.3521 176.2622 32 K 4.2122 7.4734 119.9303 57.4386 32.9575 177.5276 33 Q 4.0099 7.9542 117.3617 58.0970 29.3384 176.3025 34 G 3.3334 7.2951 103.0683 43.8187 0.0000 172.3629 35 K 3.7324 8.4479 122.8949 58.0000 32.0962 175.9510 36 D 4.4772 8.8118 125.6006 55.2415 37.8685 174.5333 37 G 4.1317 7.8164 105.7711 46.5202 0.0000 173.0428 38 H 5.1292 9.2107 117.4530 54.3080 34.1370 173.0959 39 L 4.6014 8.6350 122.4325 55.3223 42.2397 178.4924 40 L 4.2379 8.9358 125.2285 55.2525 41.8644 176.4701 41 S 4.8331 8.5269 117.6553 55.7635 65.1591 173.7253 42 I 4.6050 8.1368 122.3525 60.2000 38.6545 175.2484 43 E 4.6755 9.4836 124.9981 56.0820 30.3865 176.4993 44 S 4.6463 7.4756 113.0197 56.0538 66.8346 175.2177 45 K 3.8515 8.5577 123.4889 59.4822 31.9318 178.9473 46 K 3.9225 7.9521 119.5118 59.3830 32.2666 178.3264 47 E 3.9342 8.3642 122.0164 60.0087 29.7325 178.8832 48 E 4.1025 8.8850 118.7837 61.6897 29.1858 181.1905 49 I 4.0056 7.8106 120.3358 64.0968 37.3057 178.2984 50 L 3.9325 7.9265 121.0500 57.4281 41.7104 179.2076 51 V 3.7066 7.9353 120.9811 66.4582 31.5961 178.2324 52 D 4.3882 7.9078 120.3876 58.5997 39.3941 180.2310 53 I 3.9398 7.5645 119.3482 63.6095 37.7120 178.2350 54 V 3.7186 7.2498 118.7400 63.9841 31.3678 178.7934 55 V 3.3035 7.7136 119.4915 66.0388 31.1675 178.0795 56 S 4.2037 8.2348 113.7352 61.0956 62.6774 175.4807 57 E 4.3959 7.6066 118.5419 56.3423 30.4020 175.8932 58 N 4.7019 7.6507 113.4355 52.6294 40.4017 174.2696 59 I 4.2201 7.3460 119.7729 58.8643 38.4763 175.6670 60 G 3.6648 8.5293 115.4563 44.7919 0.0000 173.0878 61 K 3.9118 8.4883 126.4145 58.1637 32.8040 176.3869 62 M 4.2876 7.8627 116.0568 53.9416 35.0018 175.2467 63 Y 4.6804 7.7858 117.3230 60.2551 39.3127 175.5263 64 K 5.5987 7.3838 115.9927 53.6302 36.4824 175.8766 65 I 4.7152 7.7921 121.8149 59.2104 41.4436 174.6988 66 W 5.2992 9.1539 127.5028 57.0787 30.1148 175.5637 67 T 4.7242 8.7092 113.8038 59.1343 72.1622 173.6980 68 G 3.8214 8.6124 109.3296 45.9634 0.0000 174.2987 69 L 4.3345 7.6990 124.2467 53.9051 42.3187 174.9961 70 S 5.3039 8.5642 120.7286 56.1214 64.9333 173.0772 71 E 4.2577 8.4955 126.8341 56.4526 29.6683 177.0999 72 R 4.1373 8.8716 124.1230 56.2436 31.1695 176.2067 73 S 4.7940 9.3437 113.9479 59.3107 60.7804 172.5648 74 K 4.7284 7.6677 113.4087 56.1712 33.8114 178.7702 75 E 3.9537 8.6534 121.2669 59.8137 29.2918 179.6005 76 Q 4.1622 8.0424 113.4763 58.1809 28.6234 176.1848 77 H 4.9051 8.5019 114.7337 56.0005 30.1642 174.4547 78 C 4.8567 7.8000 117.8026 58.8382 28.6828 174.2257 79 S 4.2728 8.2145 114.8634 58.7430 62.6039 174.1381 80 S 4.5019 8.9356 123.0780 58.6346 64.2942 173.1207 81 R 5.1073 8.0683 119.4096 54.1631 33.1116 175.9999 82 W 4.3891 9.4367 123.4375 56.1632 29.9460 178.3969 83 S 4.6337 8.8263 115.6534 57.6782 60.5004 175.6606 84 D 4.4390 9.5323 128.6794 54.1753 42.2832 179.7395 85 G 4.0108 7.1641 108.8947 43.7198 0.0000 172.0220 86 S 4.6299 8.2542 114.6744 57.4571 63.8483 175.0974 87 F 4.7126 8.0688 127.1516 57.1102 36.9141 174.2566 88 F 4.6899 7.4202 120.3620 58.2104 41.2606 175.9252 89 R 4.0010 8.0652 122.2586 56.7760 30.4068 176.1446 90 S 5.0132 8.3881 118.7954 57.1029 65.7135 173.3315 91 Y 5.1755 8.4355 125.2364 56.1455 39.0118 173.3378 92 E 4.5907 8.0469 121.8857 53.9438 34.1104 176.5577 93 I 4.0635 7.8185 121.5936 60.5044 35.9504 179.1626 94 A 4.4381 7.4297 123.6335 51.1216 18.0521 178.5387 95 I 3.6142 8.1773 112.4782 63.1619 36.5466 180.1200 96 R 4.4516 9.0250 113.7431 54.9027 31.6075 176.1810 *97 Y 4.2445 8.0970 117.0441 56.7491 37.5022 175.9663 98 S 4.6534 8.3395 120.0005 55.6749 63.8717 173.1492 99 E 4.6861 8.2159 124.3462 56.2158 30.8961 175.7357 100 C 5.5241 8.0862 115.1686 55.4462 43.5770 173.0962 101 F 5.5230 9.1564 120.0586 56.9065 43.1632 175.2096 102 V 5.0000 8.5371 119.3428 60.3872 36.8667 173.6668 103 L 5.2721 9.4351 119.1011 55.0513 43.6967 175.9411 104 E 4.9286 8.3762 119.9026 54.4090 31.3830 177.1931 105 K 2.4800 8.7283 125.4160 58.5712 32.7143 178.4003 106 Q 3.8270 8.0918 119.4378 58.7023 29.3284 177.9382 107 S 4.6116 7.6784 112.3864 59.5238 63.0954 174.0572 108 V 3.0499 8.1255 112.4730 63.6489 31.0221 173.9809 109 F 4.0964 7.7641 114.8433 59.7892 36.9765 176.6453 110 R 4.3386 8.5177 121.9746 57.4344 30.4732 176.6780 111 T 4.4455 7.6783 107.4022 59.8910 71.6384 173.7879 112 W 5.6050 8.3884 121.3907 55.6093 31.6453 176.2344 113 V 4.7614 8.8446 114.3255 59.5139 35.5967 174.6704 114 A 3.1983 8.5882 127.5956 52.2024 18.2394 176.3852 115 T 4.7431 9.0388 116.7496 59.4943 72.1881 171.0644 116 P 4.7283 0.0000 0.0000 62.6842 31.9520 178.0141 117 C 4.2964 9.2935 122.9714 60.1201 40.7573 175.8989 118 E 3.9117 8.3970 114.6949 58.0765 29.2758 176.9686 119 N 4.3877 8.5449 118.9556 53.4225 39.1453 173.8343 120 T 4.9477 7.8835 112.4146 60.7514 70.0983 173.9502 121 F 5.1401 9.3198 124.4485 54.8398 44.2184 172.7013 122 P 5.2503 0.0000 0.0000 63.3568 32.9031 174.4353 123 F 5.2801 8.6479 117.1215 57.1845 42.0346 173.5728 124 M 5.1137 8.7334 117.0270 53.7076 34.8386 173.1980 125 C 5.5210 9.6499 121.9782 55.2758 41.8486 172.5079 126 K 5.5591 8.8777 119.6201 56.8552 35.6809 173.7871 127 Y 5.1502 7.8606 120.7565 55.8439 40.8057 170.6392 128 P 4.5181 0.0000 0.0000 61.4545 32.1910 175.6333 129 V 3.8114 8.5814 124.7392 65.7491 31.4931 175.8028 130 P 4.5181 0.0000 0.0000 63.3573 30.6974 177.0091 131 R 4.2608 7.9745 123.3468 56.6227 29.9366 179.3190 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 M 8.30 4.41 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 C 7.90 4.66 0.00 3.16 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 3 P 0.00 4.44 0.00 1.83 1.92 0.00 3.28 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 1.66 1.99 0.00 4 P 0.00 4.56 0.00 2.14 2.05 0.00 3.77 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 2.08 2.13 0.00 5 G 9.15 4.05 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 0.00 0.00 0.00 6 W 7.81 4.78 0.00 3.36 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 7 S 9.29 4.99 0.00 3.73 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 8 S 8.39 5.52 0.00 3.91 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 9 N 9.82 4.66 0.00 2.60 2.34 0.00 0.00 7.23 7.42 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 10 G 9.59 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 0.00 0.00 0.00 0.00 11 V 7.67 3.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.84 0.00 0.00 12 Y 8.19 4.72 0.00 3.34 2.48 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 13 C 8.62 5.56 0.00 1.64 2.80 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 14 Y 9.85 5.57 0.00 2.76 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 15 M 8.78 4.53 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.00 16 L 7.85 4.60 0.00 1.47 1.43 0.92 0.73 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 17 F 8.62 4.22 0.00 1.51 2.33 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 18 K 8.06 4.09 0.00 1.58 1.69 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.48 7.81 19 E 7.49 4.60 0.00 1.92 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 2.21 2.24 0.00 20 P 0.00 4.51 0.00 1.95 2.03 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 21 K 8.98 4.71 0.00 1.48 1.54 0.00 1.16 0.00 0.00 1.51 0.00 0.00 2.49 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 1.60 7.81 22 T 8.28 4.78 4.40 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 1.25 0.00 0.00 23 W 8.23 3.20 0.00 2.03 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 24 D 8.41 4.98 0.00 2.80 2.81 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 25 E 8.12 3.95 0.00 1.93 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 2.39 2.36 0.00 26 A 7.98 3.12 0.48 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 27 E 7.73 3.53 0.00 1.16 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 1.84 2.22 0.00 28 K 8.04 4.01 0.00 2.02 1.97 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.49 7.81 29 F 8.57 3.97 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 30 C 8.71 4.64 0.00 3.25 3.37 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 31 N 7.59 4.69 0.00 2.74 2.84 0.00 0.00 6.88 8.39 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 32 K 7.47 4.21 0.00 1.60 1.71 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.58 7.81 33 Q 7.95 4.01 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 34 G 7.30 3.33 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 0.00 35 K 8.45 3.73 0.00 1.59 1.68 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 36 D 8.81 4.48 0.00 3.03 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 37 G 7.82 4.13 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 0.00 38 H 9.21 5.13 0.00 3.03 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.63 4.60 0.00 1.34 1.44 -0.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.94 4.24 0.00 1.33 1.56 0.92 0.98 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 41 S 8.53 4.83 0.00 3.90 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 42 I 8.14 4.61 2.22 0.00 0.00 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 1.45 1.17 1.14 0.00 0.00 43 E 9.48 4.68 0.00 2.03 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 0.00 2.29 2.22 0.00 44 S 7.48 4.65 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.56 3.85 0.00 1.79 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.42 7.81 46 K 7.95 3.92 0.00 1.91 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.55 7.81 47 E 8.36 3.93 0.00 2.14 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 0.00 2.37 2.37 0.00 48 E 8.89 4.10 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 49 I 7.81 4.01 2.14 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 1.41 0.77 0.93 0.00 0.00 50 L 7.93 3.93 0.00 1.59 1.70 0.21 0.52 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 51 V 7.94 3.71 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 52 D 7.91 4.39 0.00 2.75 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 53 I 7.56 3.94 1.86 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 1.14 0.90 0.00 0.00 54 V 7.25 3.72 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 0.71 0.00 0.00 0.81 0.00 0.00 55 V 7.71 3.30 1.75 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 -0.14 0.00 0.00 0.70 0.00 0.00 56 S 8.23 4.20 0.00 3.99 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 57 E 7.61 4.40 0.00 1.95 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 2.16 2.27 0.00 58 N 7.65 4.70 0.00 2.62 2.61 0.00 0.00 6.87 7.21 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 59 I 7.35 4.22 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.34 0.80 0.00 0.00 60 G 8.53 3.66 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 0.00 0.00 0.00 61 K 8.49 3.91 0.00 1.70 1.76 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.58 7.81 62 M 7.86 4.29 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.08 0.00 63 Y 7.79 4.68 0.00 2.85 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 64 K 7.38 5.60 0.00 0.79 0.74 0.00 1.41 0.00 0.00 1.99 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.71 1.13 7.81 65 I 7.79 4.72 1.81 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 0.99 0.79 0.90 0.00 0.00 66 W 9.15 5.30 0.00 3.42 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 67 T 8.71 4.72 4.21 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 1.24 0.00 0.00 68 G 8.61 3.82 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 0.00 0.00 0.00 69 L 7.70 4.33 0.00 1.38 1.56 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.56 5.30 0.00 4.65 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 71 E 8.50 4.26 0.00 2.12 1.76 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 2.37 2.45 0.00 72 R 8.87 4.14 0.00 1.87 1.97 0.00 3.44 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 73 S 9.34 4.79 0.00 3.82 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 74 K 7.67 4.73 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.63 7.81 75 E 8.65 3.95 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 76 Q 8.04 4.16 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.82 0.00 0.00 0.00 0.00 0.00 1.76 2.15 0.00 77 H 8.50 4.91 0.00 3.20 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.80 4.86 0.00 2.97 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 79 S 8.21 4.27 0.00 4.00 3.87 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 80 S 8.94 4.50 0.00 3.59 3.64 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 81 R 8.07 5.11 0.00 1.64 1.89 0.00 3.23 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 82 W 9.44 4.39 0.00 3.30 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 83 S 8.83 4.63 0.00 3.94 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 84 D 9.53 4.44 0.00 2.81 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 85 G 7.16 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 0.00 0.00 0.00 86 S 8.25 4.63 0.00 3.30 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 87 F 8.07 4.71 0.00 2.47 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 88 F 7.42 4.69 0.00 3.14 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 89 R 8.07 4.00 0.00 1.90 2.04 0.00 3.45 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 90 S 8.39 5.01 0.00 3.08 3.53 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 91 Y 8.44 5.18 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 92 E 8.05 4.59 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 93 I 7.82 4.06 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.34 0.89 0.00 0.00 94 A 7.43 4.44 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 95 I 8.18 3.61 1.88 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 1.47 0.63 0.91 0.00 0.00 96 R 9.02 4.45 0.00 1.94 1.98 0.00 3.25 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 *97 Y 8.10 4.24 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.34 4.65 0.00 3.66 3.82 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 99 E 8.22 4.69 0.00 1.79 1.80 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 2.50 2.34 0.00 100 C 8.09 5.52 0.00 3.16 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.16 5.52 0.00 3.13 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 0.00 102 V 8.54 5.00 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 0.74 0.00 0.00 0.93 0.00 0.00 103 L 9.44 5.27 0.00 1.70 1.90 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.38 4.93 0.00 2.02 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 2.30 0.00 105 K 8.73 2.48 0.00 1.81 1.73 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.08 1.20 7.81 106 Q 8.09 3.83 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 107 S 7.68 4.61 0.00 3.98 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 0.00 108 V 8.13 3.05 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 0.66 0.00 0.00 0.97 0.00 0.00 109 F 7.76 4.10 0.00 3.25 3.15 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 0.00 110 R 8.52 4.34 0.00 1.83 1.96 0.00 3.12 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 111 T 7.68 4.45 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 1.13 0.00 0.00 112 W 8.39 5.60 0.00 3.38 3.22 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 0.00 113 V 8.84 4.76 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 0.82 0.00 0.00 1.01 0.00 0.00 114 A 8.59 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 9.04 4.74 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 1.42 0.00 0.00 116 P 0.00 4.73 0.00 2.24 2.04 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 117 C 9.29 4.30 0.00 2.74 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 0.00 118 E 8.40 3.91 0.00 2.09 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 0.00 2.33 2.30 0.00 119 N 8.54 4.39 0.00 3.18 2.23 0.00 0.00 6.54 6.42 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 0.00 120 T 7.88 4.95 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 1.19 0.00 0.00 121 F 9.32 5.14 0.00 2.24 2.68 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 0.00 122 P 0.00 5.25 0.00 2.05 2.09 0.00 3.93 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 2.12 2.14 0.00 123 F 8.65 5.28 0.00 3.23 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 0.00 124 M 8.73 5.11 0.00 1.73 1.92 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 2.41 2.35 0.00 125 C 9.65 5.52 0.00 3.23 3.53 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 0.00 126 K 8.88 5.56 0.00 1.59 1.50 0.00 1.23 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.21 7.81 127 Y 7.86 5.15 0.00 3.05 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 0.00 128 P 0.00 4.52 0.00 1.90 1.72 0.00 4.03 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 129 V 8.58 3.81 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 0.98 0.00 0.00 0.91 0.00 0.00 130 P 0.00 4.52 0.00 2.01 2.00 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 131 R 7.97 4.26 0.00 2.03 1.87 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.