NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2729 8.3293 121.7116 55.8428 30.2485 174.1415 4 L 4.4715 8.2446 123.5242 54.0174 42.3717 174.2205 5 T 4.5106 9.0320 118.6357 62.0137 71.0609 175.3768 6 L 4.7286 8.3244 126.0360 53.4806 43.4424 176.0113 7 D 5.0301 8.5766 121.9485 50.7239 43.4262 177.2967 8 K 3.9390 8.4362 120.3456 60.1793 32.2368 178.3520 9 T 3.8788 7.9377 115.1114 66.7463 68.5780 175.9854 10 D 4.4106 9.3742 121.9540 57.7350 40.8075 179.2622 11 I 3.7163 7.9008 119.9115 64.2356 37.1002 178.3704 12 K 3.8432 7.7749 119.4946 59.7265 31.9250 179.1091 13 I 3.7042 7.6582 119.4437 64.4110 37.0231 178.2982 14 L 3.9907 7.7227 119.2822 58.1093 41.0480 179.6930 15 Q 3.9997 8.7417 118.7171 58.8757 28.6393 179.1930 16 V 3.4614 8.3066 119.5315 66.0807 31.3736 178.0001 17 L 4.3220 7.8591 120.0388 57.4667 41.2496 179.3906 18 Q 4.1121 8.0887 116.9238 58.8486 28.6824 178.5186 19 E 4.4990 7.6010 117.6850 57.1685 30.8731 176.6172 20 N 4.8933 8.3988 119.4714 51.1854 38.3701 175.2945 21 G 3.7508 8.3868 111.5896 47.9307 0.0000 171.9866 22 R 4.3631 7.7952 118.0044 55.8292 30.0677 176.0523 23 L 4.1191 7.6790 115.7892 54.5478 42.3600 177.6312 24 T 4.2370 7.9450 111.5827 61.1834 70.9221 175.5302 25 N 4.3084 8.5230 119.4148 56.5978 38.9144 177.2662 26 V 3.5958 7.6504 119.4006 66.0834 31.5898 177.7336 27 E 3.9941 8.0064 116.9488 59.2218 29.2811 178.8281 28 L 4.1289 7.8148 119.7977 57.7784 42.2664 178.4113 29 S 4.2397 8.1725 113.1970 61.0910 62.9427 175.1586 30 E 4.3573 7.8887 120.1918 55.1537 28.7601 176.0010 31 R 4.5623 7.4733 117.9222 56.9107 36.5587 175.1350 32 V 4.1388 7.5003 107.2306 60.1568 32.3822 175.1195 33 A 3.7248 8.0196 120.7380 52.9607 15.4080 178.1736 34 L 4.7706 7.5120 118.8496 52.4546 46.2613 178.0062 35 S 4.2611 8.6112 118.9897 57.9855 64.7546 173.5917 36 P 4.2188 0.0000 0.0000 66.0590 30.6325 178.9808 37 S 4.0200 7.9400 110.9483 60.8920 62.5217 174.0363 38 P 4.2541 0.0000 0.0000 65.8826 31.1666 177.8027 39 C 3.9331 7.9786 117.3234 62.6288 31.4334 175.1150 40 L 4.0952 7.8333 122.8945 57.5870 41.6244 178.8704 41 R 3.8560 7.6373 116.8736 59.5880 29.7416 178.1965 42 R 3.8935 8.0401 118.3582 59.5555 29.9255 178.0991 43 L 3.9923 7.9220 119.8198 58.1499 42.0886 178.9467 44 K 4.0245 7.9410 118.8624 59.2889 31.9915 178.4618 45 Q 4.0705 8.1819 118.0073 57.9839 28.6881 178.0469 46 L 4.0850 7.5165 120.0562 57.2710 41.8187 179.0421 47 E 4.2927 8.2618 119.9629 59.2219 29.2662 179.2377 48 D 4.3541 8.1179 117.4307 57.1052 41.0014 177.5623 49 A 4.0610 8.0116 120.6275 53.1668 18.5092 178.3245 50 G 3.9787 7.7850 103.8830 45.1564 0.0000 175.1406 51 I 3.6522 7.6023 120.4544 64.0038 37.3599 176.6213 52 V 3.8756 7.5648 123.6191 61.8118 31.2894 176.3794 53 R 4.1048 8.1189 124.1990 57.1699 30.4179 176.5028 54 Q 4.2671 7.0941 114.7702 55.5674 31.6463 172.0566 55 Y 4.4608 8.6905 123.1700 56.8760 38.9339 174.7581 56 A 4.6858 8.4550 126.7136 50.0310 22.0773 174.8313 57 A 4.3509 8.5799 124.9491 51.2438 19.4812 176.8020 58 L 4.5530 8.4001 123.4570 53.2165 43.2456 176.2126 59 L 4.6249 8.0729 122.6300 52.7389 44.0022 175.7734 60 S 4.3774 8.1994 115.2156 56.9433 63.1854 172.8057 61 P 4.1060 0.0000 0.0000 66.0535 30.6267 178.5013 62 E 4.0787 8.1572 116.6561 59.0798 29.1993 179.3129 63 S 4.2908 7.7400 113.8821 60.4141 63.0812 175.3979 64 V 4.1381 7.0221 112.6719 60.9174 31.7565 175.9480 65 N 4.3752 7.8711 115.9204 53.8304 37.9452 173.7764 66 L 4.9148 7.8532 117.7194 53.8092 40.7607 176.2608 67 G 4.1965 8.4112 109.8768 45.3102 0.0000 170.6848 68 L 4.5430 8.3057 123.3317 53.5530 44.9506 174.4632 69 Q 4.2792 8.6928 128.6405 54.4608 30.6058 173.6629 70 A 4.9319 8.3448 129.0392 50.2375 21.7151 175.0928 71 F 5.0591 8.5925 122.0157 56.2055 40.8090 175.0297 72 I 4.9662 8.9802 125.4882 59.5494 40.2246 175.2933 73 R 5.2440 9.0515 125.3045 54.0064 32.2747 175.0107 74 V 4.7307 8.4715 124.2494 61.2653 34.4195 174.1559 75 S 5.0725 8.9994 121.3010 56.5849 64.7757 172.6818 76 I 4.5312 8.3312 127.8262 59.6902 38.4591 175.6458 77 R 3.8856 9.5988 128.0623 55.9114 30.4065 176.7949 78 K 4.3496 8.3774 129.4714 56.1819 32.6279 175.5414 79 A 4.4614 7.4176 124.7944 51.3410 19.2842 178.1910 80 K 4.0476 8.5674 116.3388 57.1415 31.4589 177.4044 81 D 4.4931 8.6696 129.2310 54.8256 39.9114 175.4413 82 A 4.3805 7.3905 121.5693 54.2446 18.4051 179.6579 83 R 3.9282 8.0357 116.6181 59.7467 30.2362 178.8772 84 E 3.9819 8.1826 117.6920 59.2924 29.5405 179.0103 85 D 4.2844 7.7571 118.3203 57.3710 41.0051 178.2773 86 F 3.8735 8.3175 120.8316 61.2606 39.2311 176.8860 87 A 3.7008 8.2073 120.0715 55.2682 17.9777 179.5685 88 A 3.8266 7.9875 118.3652 54.9769 18.8381 179.4977 89 S 3.7983 7.9234 112.7184 60.5574 63.3295 176.8020 90 V 2.6588 6.9165 122.2981 65.4953 30.8774 177.9045 91 R 3.8627 7.1942 115.8232 57.8940 29.9288 177.9850 92 K 4.5186 7.0303 116.7522 56.2544 33.2845 176.2771 93 W 4.5609 7.2216 118.6683 56.1907 28.3379 175.0463 94 P 4.3129 0.0000 0.0000 65.3035 31.1859 177.9590 95 E 3.8729 8.0620 115.1982 57.7346 30.6545 176.5970 96 V 4.5334 7.5024 121.3252 61.7505 31.6286 175.3236 97 L 4.4142 8.7531 129.2220 56.8918 42.6292 177.4101 98 S 4.6317 7.7481 112.4185 57.4137 67.8545 172.8100 99 C 5.1145 7.3081 119.6858 58.6363 34.4851 173.0763 100 F 5.0718 9.3570 123.6906 55.6651 43.4012 173.8844 101 A 4.5286 8.8773 124.7352 51.2819 18.1799 176.7397 102 L 4.7172 8.1737 121.4294 54.1216 43.8263 177.1927 103 T 4.0753 8.2815 111.5022 61.8554 70.0611 175.2714 104 G 3.7839 8.5064 108.4415 44.3159 0.0000 172.2077 105 E 4.0596 8.8416 117.5934 59.4633 29.4862 177.8576 106 T 4.5135 7.5345 106.4202 60.5895 70.6255 174.1850 107 D 4.5093 8.5514 122.7998 56.4473 42.3762 175.7662 108 Y 5.3346 8.1997 114.0493 56.1815 43.0071 174.6603 109 L 5.1446 9.2626 122.8466 53.8997 45.6061 174.8498 110 L 5.3201 9.6912 126.5328 53.0488 45.2874 175.1837 111 Q 4.6523 8.9516 123.7768 54.4381 30.9403 174.2150 112 A 5.2464 8.8306 127.9359 50.1320 23.1808 174.4940 113 F 5.0831 8.6543 117.4837 55.9123 42.6514 174.6135 114 F 5.0263 9.4113 121.5783 55.8009 43.0445 176.2753 115 T 4.8915 9.1765 109.9964 64.0937 71.0588 174.6073 116 D 4.3482 8.1568 124.3288 53.5771 45.7025 176.6127 *118 N 4.5360 9.4252 115.2235 53.0547 40.9474 176.1785 119 A 4.1460 8.4273 119.7301 55.1854 18.4080 179.4579 120 F 3.0416 8.0932 119.0825 61.0825 39.3416 177.3199 121 S 3.8423 7.9504 114.1952 62.1192 62.8255 176.0461 122 H 4.0433 8.0336 118.5516 59.0554 28.3891 177.6230 123 F 4.0762 7.8097 122.3325 61.2296 39.2987 177.8513 124 V 3.0360 7.2962 118.8286 64.4285 30.8892 178.2988 125 L 3.8795 7.6255 118.6982 56.7787 41.8151 178.1239 126 D 4.7582 7.5304 114.6751 54.4525 41.4666 177.0625 127 T 4.2505 7.0811 113.4936 64.7607 71.9486 175.0607 128 L 3.6718 7.1743 122.8584 57.7279 42.1528 178.5343 129 L 4.2048 7.6830 116.6370 56.2507 41.7356 177.9073 130 S 4.4990 7.7124 111.9869 58.3240 63.7021 173.6401 131 H 4.5726 7.9847 122.7498 55.9707 30.3024 175.8653 132 H 4.2694 8.7935 121.8085 58.4361 28.2475 176.5938 133 G 3.7129 7.8958 106.3229 47.6074 0.0000 173.5350 134 V 4.0013 7.4365 121.4541 62.5420 31.2507 175.7314 135 Q 4.1807 9.1962 130.7930 58.5657 29.2463 175.2143 136 D 5.0438 7.9076 116.6852 52.4375 45.4327 173.1968 137 A 5.2315 8.4631 122.9014 50.4208 22.6389 175.7884 138 Q 4.4202 9.3331 119.7582 54.6059 32.4683 174.3375 139 S 5.2440 8.8338 120.3169 56.7009 65.7179 173.5512 140 S 4.3794 8.2228 116.6253 56.6282 67.0041 172.4222 141 F 5.3351 8.1783 116.7632 55.7968 42.8636 175.2987 142 V 3.9135 8.6590 116.9266 61.4174 31.7153 176.6677 143 L 4.2617 8.5209 124.8560 56.3393 42.1956 177.0750 144 K 4.0683 7.5172 115.5427 55.5447 34.6295 174.0997 145 E 4.3528 8.8795 128.3468 55.2006 28.7362 175.7545 146 I 3.9336 8.2953 128.3255 63.9164 37.6272 176.9407 147 K 4.3681 7.6493 117.0496 55.9037 34.6539 174.1728 148 H 4.5930 8.5977 125.1550 55.7411 31.6729 172.3394 149 T 4.8020 8.2655 120.9259 60.4903 70.3828 173.5053 150 T 4.2807 8.4283 115.2281 62.8146 69.7476 175.3247 151 S 4.2273 8.1972 120.1568 58.4067 63.0488 174.2027 152 L 4.3853 8.4031 126.1091 53.3127 42.4021 174.8503 153 P 4.6351 0.0000 0.0000 62.5216 32.4394 176.0589 154 L 4.7776 8.2349 117.8484 54.3914 43.8004 178.2373 155 N 4.4226 8.1859 116.8492 56.0989 38.6724 176.4305 156 H 4.3058 8.3381 112.3400 57.3556 28.5243 175.7830 157 L 4.2840 7.5201 119.1756 55.4512 42.2893 176.5725 158 L 4.1694 7.7941 123.5146 54.9235 41.5154 176.6050 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 3 Q 8.33 4.27 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 4 L 8.24 4.47 0.00 1.87 1.64 0.97 0.32 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 5 T 9.03 4.51 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 6 L 8.32 4.73 0.00 1.61 1.57 0.91 1.01 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 7 D 8.58 5.03 0.00 2.91 2.74 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 8 K 8.44 3.94 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.58 7.81 9 T 7.94 3.88 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 1.29 0.00 0.00 10 D 9.37 4.41 0.00 2.81 2.74 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 11 I 7.90 3.72 1.87 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 1.51 1.05 0.91 0.00 0.00 12 K 7.77 3.84 0.00 1.87 1.89 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.65 7.81 13 I 7.66 3.70 2.08 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 1.54 0.96 0.95 0.00 0.00 14 L 7.72 3.99 0.00 1.97 1.73 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.74 4.00 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 16 V 8.31 3.46 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 1.01 0.00 0.00 0.96 0.00 0.00 17 L 7.86 4.32 0.00 2.04 1.84 1.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.09 4.11 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 19 E 7.60 4.50 0.00 1.79 2.01 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 2.45 2.50 0.00 20 N 8.40 4.89 0.00 2.68 2.74 0.00 0.00 6.96 7.88 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 21 G 8.39 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 0.00 0.00 0.00 22 R 7.80 4.36 0.00 1.77 1.89 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 23 L 7.68 4.12 0.00 1.66 1.58 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.94 4.24 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 1.19 0.00 0.00 25 N 8.52 4.31 0.00 2.83 2.84 0.00 0.00 6.52 7.71 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 26 V 7.65 3.60 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 1.05 0.00 0.00 0.92 0.00 0.00 27 E 8.01 3.99 0.00 2.13 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 2.34 2.31 0.00 28 L 7.81 4.13 0.00 1.63 1.90 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.17 4.24 0.00 3.99 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 30 E 7.89 4.36 0.00 2.02 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 2.33 2.34 0.00 31 R 7.47 4.56 0.00 1.80 2.06 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 32 V 7.50 4.14 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 0.81 0.00 0.00 0.98 0.00 0.00 33 A 8.02 3.72 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 34 L 7.51 4.77 0.00 1.58 1.52 0.93 0.97 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 35 S 8.61 4.26 0.00 3.86 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 36 P 0.00 4.22 0.00 2.14 2.12 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 37 S 7.94 4.02 0.00 3.88 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 38 P 0.00 4.25 0.00 2.20 2.09 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 39 C 7.98 3.93 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.83 4.10 0.00 1.99 1.82 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.64 3.86 0.00 1.96 2.06 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 42 R 8.04 3.89 0.00 2.04 1.94 0.00 3.40 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 43 L 7.92 3.99 0.00 1.92 1.88 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.94 4.02 0.00 1.92 1.97 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 45 Q 8.18 4.07 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 46 L 7.52 4.08 0.00 1.92 1.71 0.97 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 47 E 8.26 4.29 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 48 D 8.12 4.35 0.00 2.76 2.74 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 49 A 8.01 4.06 1.31 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 0.00 0.00 50 G 7.79 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 51 I 7.60 3.65 1.97 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 1.18 0.85 0.90 0.00 0.00 52 V 7.56 3.88 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 0.43 0.00 0.00 0.90 0.00 0.00 53 R 8.12 4.10 0.00 1.91 1.99 0.00 3.12 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 54 Q 7.09 4.27 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 55 Y 8.69 4.46 0.00 3.04 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 56 A 8.45 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.58 4.35 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 58 L 8.40 4.55 0.00 1.63 1.58 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.07 4.62 0.00 1.49 1.48 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.20 4.38 0.00 3.82 3.70 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 61 P 0.00 4.11 0.00 2.25 1.97 0.00 3.60 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 2.15 1.65 0.00 62 E 8.16 4.08 0.00 2.06 2.01 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 2.43 2.47 0.00 63 S 7.74 4.29 0.00 3.98 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 64 V 7.02 4.14 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 0.63 0.00 0.00 0.94 0.00 0.00 65 N 7.87 4.38 0.00 2.98 2.94 0.00 0.00 7.22 6.54 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 66 L 7.85 4.91 0.00 1.64 1.76 0.72 0.63 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 67 G 8.41 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 0.00 0.00 0.00 0.00 68 L 8.31 4.54 0.00 1.77 1.79 0.52 0.40 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 69 Q 8.69 4.28 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 70 A 8.34 4.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.59 5.06 0.00 2.91 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 72 I 8.98 4.97 2.10 0.00 0.00 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 1.40 0.92 1.12 0.00 0.00 73 R 9.05 5.24 0.00 1.86 1.90 0.00 3.13 0.00 0.00 3.19 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 0.00 74 V 8.47 4.73 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 0.68 0.00 0.00 1.16 0.00 0.00 75 S 9.00 5.07 0.00 3.88 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 76 I 8.33 4.53 1.93 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.34 0.87 0.00 0.00 77 R 9.60 3.89 0.00 1.87 1.88 0.00 3.28 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 78 K 8.38 4.35 0.00 1.77 1.76 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 79 A 7.42 4.46 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 80 K 8.57 4.05 0.00 1.78 1.76 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.38 7.81 81 D 8.67 4.49 0.00 2.89 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 82 A 7.39 4.38 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.04 3.93 0.00 1.94 2.12 0.00 3.29 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 84 E 8.18 3.98 0.00 2.21 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 2.41 2.47 0.00 85 D 7.76 4.28 0.00 3.07 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 86 F 8.32 3.87 0.00 2.91 2.99 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 87 A 8.21 3.70 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 88 A 7.99 3.83 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 89 S 7.92 3.80 0.00 3.13 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 90 V 6.92 2.66 1.62 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 0.81 0.00 0.00 -0.35 0.00 0.00 91 R 7.19 3.86 0.00 1.80 1.85 0.00 3.10 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 92 K 7.03 4.52 0.00 1.59 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 93 W 7.22 4.56 0.00 3.59 3.20 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 0.00 94 P 0.00 4.31 0.00 2.01 2.10 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 95 E 8.06 3.87 0.00 1.23 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 0.00 1.58 1.47 0.00 96 V 7.50 4.53 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 0.89 0.00 0.00 1.08 0.00 0.00 97 L 8.75 4.41 0.00 1.63 1.75 1.09 0.79 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 98 S 7.75 4.63 0.00 3.81 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.31 5.11 0.00 2.85 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 0.00 100 F 9.36 5.07 0.00 3.05 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 0.00 101 A 8.88 4.53 1.10 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 0.00 0.00 102 L 8.17 4.72 0.00 1.53 1.58 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.28 4.08 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 1.18 0.00 0.00 104 G 8.51 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 0.00 105 E 8.84 4.06 0.00 1.96 2.05 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 2.32 2.32 0.00 106 T 7.53 4.51 4.29 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 1.23 0.00 0.00 107 D 8.55 4.51 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.26 0.00 0.00 116 D 8.16 4.35 0.00 2.79 2.27 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 *118 N 9.43 4.54 0.00 3.16 2.98 0.00 0.00 6.70 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 0.00 119 A 8.43 4.15 1.62 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 0.00 0.00 120 F 8.09 3.04 0.00 2.58 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 0.00 121 S 7.95 3.84 0.00 3.91 3.77 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 0.00 0.00 0.00 122 H 8.03 4.04 0.00 3.39 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.81 4.08 0.00 3.21 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 0.00 124 V 7.30 3.04 1.05 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 0.42 0.00 0.00 0.79 0.00 0.00 125 L 7.63 3.88 0.00 1.62 1.66 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.53 4.76 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 0.00 127 T 7.08 4.25 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 0.86 0.00 0.00 128 L 7.17 3.67 0.00 0.39 1.19 1.23 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.68 4.20 0.00 1.64 1.65 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.71 4.50 0.00 3.95 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 0.00 131 H 7.98 4.57 0.00 3.68 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.79 4.27 0.00 3.31 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.90 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 0.00 134 V 7.44 4.00 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 0.70 0.00 0.00 1.04 0.00 0.00 135 Q 9.20 4.18 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 136 D 7.91 5.04 0.00 2.78 2.42 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 0.00 137 A 8.46 5.23 1.22 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 0.00 138 Q 9.33 4.42 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 139 S 8.83 5.24 0.00 3.70 3.47 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 0.00 140 S 8.22 4.38 0.00 3.74 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 0.00 141 F 8.18 5.34 0.00 2.85 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 0.00 142 V 8.66 3.91 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.06 0.00 0.00 143 L 8.52 4.26 0.00 1.66 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.52 4.07 0.00 1.68 1.66 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.38 7.81 145 E 8.88 4.35 0.00 2.06 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 2.35 2.45 0.00 146 I 8.30 3.93 1.89 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 1.32 0.93 0.92 0.00 0.00 147 K 7.65 4.37 0.00 1.68 1.63 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.40 7.81 148 H 8.60 4.59 0.00 3.21 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.27 4.80 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 1.29 0.00 0.00 150 T 8.43 4.28 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 1.27 0.00 0.00 151 S 8.20 4.23 0.00 3.88 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 0.00 152 L 8.40 4.39 0.00 1.81 1.61 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.64 0.00 2.20 2.05 0.00 3.71 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 1.96 1.97 0.00 154 L 8.23 4.78 0.00 1.68 1.65 0.93 0.72 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 0.00 155 N 8.19 4.42 0.00 2.77 2.88 0.00 0.00 6.86 8.16 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 0.00 156 H 8.34 4.31 0.00 3.27 3.42 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.52 4.28 0.00 1.68 1.68 0.86 0.72 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 0.00 158 L 7.79 4.17 0.00 1.73 1.57 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.