NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0254 8.1633 120.7369 55.2017 33.7946 173.9650 2 R 4.7682 9.1290 123.1717 51.5534 33.7708 169.4668 3 V 5.0885 8.1820 122.2224 58.7217 36.2037 174.6729 4 V 4.5081 8.3095 120.5076 61.4074 34.2924 173.9064 5 I 4.7869 8.7675 130.3195 60.3783 38.8912 175.0977 6 Q 5.1269 8.7528 126.1601 53.8619 32.0405 174.8047 7 R 4.4622 8.9767 125.6903 56.3291 31.2979 175.7099 8 V 5.0753 8.8566 118.5514 59.9329 35.8777 175.9333 9 K 4.3224 8.7408 119.5303 56.3986 33.8960 177.0919 10 G 4.5013 7.6673 106.5232 45.7652 0.0000 171.8728 11 A 5.1498 8.6030 121.1530 50.6814 23.3097 175.3580 12 I 4.6830 9.0502 123.3735 59.3216 40.1873 174.3060 13 L 4.8370 8.7338 129.4740 53.4442 44.2164 175.4143 14 S 5.1303 8.9349 121.4628 56.9051 67.4933 172.8793 15 V 4.7885 8.1325 112.8690 59.4966 36.5041 175.2807 16 R 3.9533 8.7000 120.0698 56.7296 28.9764 176.1532 *27 L 4.7287 8.3672 122.7009 55.4395 41.9937 175.8645 28 E 4.7514 8.4878 120.3580 54.2325 32.0528 175.4594 29 I 4.3962 8.4450 124.5754 61.6795 37.7647 175.8306 30 I 4.7967 8.4258 115.9515 60.2096 39.4872 174.8282 31 S 4.6598 7.8387 115.3530 58.3377 65.5178 173.9324 32 E 5.3109 8.6438 120.6137 55.8059 32.5516 173.8680 33 I 4.7496 8.5112 116.0130 58.9073 41.8412 176.2485 34 K 4.6041 10.2320 122.5143 56.0688 30.9669 179.7564 35 N 4.5106 8.9557 128.4599 52.8803 39.5250 173.9493 36 G 4.3000 6.7118 110.8286 46.2663 0.0000 171.3629 37 L 5.4418 8.3451 123.1649 52.9948 46.9232 175.2817 38 I 4.7383 8.3576 119.8515 59.4690 41.4204 173.6986 39 C 4.9794 8.7079 127.3663 58.1830 30.4487 173.4695 40 F 4.4348 9.0456 124.7288 56.5531 38.5995 173.7326 41 L 4.6931 8.8519 125.8892 53.9774 43.1264 175.0599 42 G 4.4168 9.5223 115.4550 44.8261 0.0000 171.6163 43 I 5.1850 8.6426 126.2021 60.0852 38.7045 175.4267 44 H 4.3013 10.5159 128.6238 55.3582 30.3844 176.0736 45 K 3.9942 7.2761 121.8417 58.6902 32.5372 177.1112 46 N 5.0476 7.4224 117.3573 52.9326 39.7535 174.1325 47 D 5.0657 8.5646 117.8711 53.9985 41.7230 176.4443 48 T 4.6224 8.5289 113.5950 59.7122 71.0351 175.3734 49 W 4.1912 9.0155 131.4958 60.7005 30.1971 177.8036 50 E 4.0315 8.4255 118.1797 59.2286 28.7280 178.6147 51 D 4.6489 9.2189 120.1973 56.7911 40.9667 178.5778 52 A 3.7530 7.8146 121.0331 55.0714 18.5147 179.5373 53 L 3.5861 7.6000 117.1212 57.2541 41.5878 179.2023 54 Y 3.8798 7.3615 120.2062 60.5098 38.8551 177.3842 55 I 3.7046 7.4627 120.8145 64.5890 37.1071 178.5768 56 I 3.2892 7.5603 120.8055 64.0557 36.9137 178.7465 57 R 3.8291 7.7434 116.4964 58.8630 29.1237 179.2764 58 K 3.9977 8.0222 119.1764 59.7034 32.0856 179.0832 59 C 4.2336 8.0885 115.0116 61.9977 28.0938 175.1163 60 L 4.5206 7.4528 118.1855 54.9424 42.6925 177.2820 61 N 4.9221 7.7542 114.2644 52.5796 39.9819 175.3155 62 L 3.9543 7.6060 120.7706 55.0138 41.9341 177.0064 63 R 4.5511 8.6614 123.5707 56.0708 29.8806 175.9289 64 L 5.1246 8.7607 121.5016 53.7301 43.1903 176.2400 65 W 5.0004 8.1823 118.8334 54.7281 33.0674 174.9789 66 N 4.6024 8.7762 121.1598 53.4714 39.0241 174.9321 67 N 4.7997 8.3812 118.6069 52.9008 38.8022 170.4656 68 D 4.0666 9.0835 121.0078 54.5337 39.9940 171.9005 69 N 4.5054 8.8579 126.4281 54.0156 37.1382 175.3401 70 K 4.0000 7.6891 121.5381 56.9048 32.0098 176.4758 71 T 4.3297 8.3452 114.5801 61.6955 69.8884 174.4403 72 W 3.6294 7.7751 121.6877 57.8090 28.4149 175.2516 73 D 4.4753 8.2515 118.4136 55.9102 40.3623 178.0952 74 K 4.6133 9.4183 117.2371 56.7274 34.8901 175.6083 75 N 5.6903 9.9851 119.1183 50.8657 40.8327 175.5087 76 V 3.2886 9.1668 110.8817 64.8497 31.1876 178.8497 77 K 3.9992 7.9463 117.1172 59.7452 31.9454 178.8933 78 D 4.0048 8.4291 118.2499 56.7843 40.7072 178.3258 79 L 4.1896 6.9195 116.5757 52.8627 41.9614 175.4204 80 N 4.3405 8.6546 115.7318 53.3759 38.1218 174.3363 81 Y 4.9528 7.2888 114.7342 56.9980 40.1191 174.2816 82 E 5.1264 8.6091 116.9579 55.3076 33.8603 174.6833 83 L 5.2000 8.9905 119.3080 52.8544 46.0177 175.6474 84 L 4.8688 8.5219 125.5498 53.5877 43.6584 174.8543 85 I 4.6537 8.3657 128.7026 59.8816 39.1785 175.6010 86 V 4.7794 8.2802 119.6534 59.2245 35.5593 175.4355 87 S 4.9375 8.9659 119.4547 59.0493 63.4362 174.3895 88 Q 4.7027 8.4231 119.6951 55.4513 30.9557 174.6645 89 F 4.6603 8.2269 119.4088 59.2151 38.9849 178.2291 90 T 4.5455 7.5567 111.3047 63.8532 68.6121 175.3388 91 L 4.3089 7.9032 121.0934 56.0338 41.4600 177.1159 92 F 5.1733 8.4855 116.6912 57.2777 40.5260 176.7072 93 G 3.4424 7.9289 111.5749 43.1299 0.0000 172.6276 94 N 4.0054 7.7753 118.3423 54.6516 39.3941 174.6953 95 T 4.4112 8.3635 115.1070 61.3612 70.0336 176.4927 96 K 3.8710 8.1384 122.8690 59.6800 32.2595 178.2632 97 K 4.1150 8.2436 116.1605 59.0233 32.9880 176.3336 98 G 4.1704 7.3983 105.2979 44.2531 0.0000 171.6754 99 N 4.5457 8.6215 114.4637 53.0608 38.9070 175.1813 100 K 4.4493 7.6416 120.4524 53.3235 33.2069 173.7764 101 P 4.0404 0.0000 0.0000 62.9491 31.7941 175.0153 102 D 4.7430 8.2532 122.2946 52.9882 41.7827 176.2249 103 F 5.1065 8.8132 125.7128 58.0314 39.8738 177.2000 104 H 4.2175 8.7875 120.8947 58.7396 28.7602 177.6557 105 L 3.7649 8.0529 120.1081 57.1144 42.0296 176.0783 106 A 4.2636 7.3890 119.2921 50.7699 20.1243 177.2355 107 K 4.0771 8.2154 121.1848 56.0551 32.9686 176.6552 108 E 3.8784 8.6535 126.7462 55.7946 30.1869 174.4164 109 P 4.4391 0.0000 0.0000 66.2157 31.7510 178.2891 110 N 4.4097 8.1627 116.0161 55.7058 38.9935 175.5234 111 E 4.3664 8.6883 118.0613 57.1511 30.9164 177.8108 112 A 4.1273 8.2773 121.1225 55.2646 18.4134 178.9351 113 L 2.7572 7.9659 118.2312 58.3134 41.9265 179.2409 114 I 3.6962 7.5757 118.7507 64.4153 36.8510 177.8655 115 F 4.5541 8.3504 121.4221 61.7977 39.2280 176.2673 116 Y 4.0449 9.2242 120.0871 60.9103 38.4659 177.7474 117 N 4.4057 8.5614 117.1229 55.6427 38.9970 176.7668 118 K 4.3204 7.7829 120.6135 58.8300 31.6598 178.2961 119 I 3.9274 8.8425 119.1157 63.3485 37.9106 177.3076 120 I 4.3834 7.7255 120.1083 63.4948 37.4507 177.5004 121 D 4.5000 8.0205 119.5464 56.6908 40.5371 178.0995 122 E 4.1738 8.2368 119.7496 58.7221 29.8408 178.0243 123 F 4.1293 7.6074 118.2100 60.5697 38.7819 177.4294 124 K 3.9456 7.8468 116.2634 59.7445 32.0066 178.6673 125 K 4.0003 7.7438 117.6048 59.9537 32.1844 178.2314 126 Q 4.1601 8.4989 117.7547 57.6260 29.4078 177.2058 127 Y 4.2045 9.0057 121.3360 58.5702 37.2461 176.4724 128 N 4.2765 9.3671 115.9311 52.8720 42.1177 173.2995 129 D 4.3255 8.8740 126.4687 57.4984 41.5619 177.3757 130 D 4.4410 8.4980 118.1118 56.2969 41.4600 176.7918 131 K 4.2793 8.5170 117.2116 56.6288 32.5653 175.6633 132 I 4.6801 7.5790 120.6440 59.9992 37.8897 175.1506 133 K 4.8421 9.0302 127.3880 54.5787 35.5528 175.3598 134 I 5.2726 7.6199 114.5631 58.9210 41.3225 173.2351 135 G 4.3418 8.0714 110.6076 44.1095 0.0000 173.3623 136 K 4.3271 8.1948 119.0055 53.8085 31.0859 175.0085 137 F 3.7701 8.2794 124.4511 59.1078 39.9979 174.2907 138 G 3.9276 7.8199 117.4056 45.6547 0.0000 173.7186 139 N 4.5727 7.4090 115.3209 52.5780 39.2175 173.8750 140 Y 4.3229 8.2901 120.9060 57.6112 39.5724 174.3975 141 M 4.5972 7.4570 125.2902 53.3186 35.8150 174.3625 142 N 4.5910 8.4973 122.2874 52.2382 40.5351 173.3938 143 I 4.9096 8.1934 127.4273 59.6351 39.6959 174.9265 144 D 4.9626 8.9751 128.1639 53.0296 42.5925 176.1589 145 V 4.7865 8.1671 122.2136 60.3825 34.4172 175.1752 146 T 4.3218 8.8537 123.3114 62.3686 68.8787 174.0912 147 N 4.7654 8.7263 124.4308 52.8589 39.3898 175.4828 148 D 4.6142 10.1729 123.5219 50.8384 39.0729 176.1455 149 G 4.6596 7.7761 119.0489 45.7010 0.0000 170.3731 150 P 4.4975 0.0000 0.0000 60.9989 33.5958 175.2193 151 V 4.3796 7.9322 117.2915 62.3188 34.4418 173.1660 152 T 5.0993 8.6829 124.6986 61.9199 70.9749 173.4566 153 I 4.6128 9.0338 127.7299 59.5674 40.1737 174.1085 154 Y 5.1784 8.5505 126.0781 56.0807 41.5498 174.5474 155 I 4.5013 7.0422 123.5580 59.6976 42.7687 173.5314 156 D 4.8577 8.1388 123.7498 52.5078 43.6050 176.0872 157 T 3.7666 8.8475 117.3632 63.8290 69.3383 174.3325 158 H 4.4793 7.5699 123.5002 56.2018 28.7636 174.9287 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 8.16 5.03 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.13 4.77 0.00 1.29 1.46 0.00 2.21 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.40 0.00 3 V 8.18 5.09 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 0.98 0.00 0.00 0.97 0.00 0.00 4 V 8.31 4.51 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 1.10 0.00 0.00 1.04 0.00 0.00 5 I 8.77 4.79 1.89 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 1.23 0.41 0.93 0.00 0.00 6 Q 8.75 5.13 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 7 R 8.98 4.46 0.00 1.69 1.72 0.00 2.36 0.00 0.00 2.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.53 0.00 8 V 8.86 5.08 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 1.04 0.00 0.00 0.96 0.00 0.00 9 K 8.74 4.32 0.00 1.60 1.80 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.50 7.81 10 G 7.67 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.60 5.15 1.15 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 0.00 0.00 12 I 9.05 4.68 1.86 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 1.11 0.71 0.90 0.00 0.00 13 L 8.73 4.84 0.00 1.67 1.48 0.91 0.61 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 14 S 8.93 5.13 0.00 3.88 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 15 V 8.13 4.79 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 0.81 0.00 0.00 0.99 0.00 0.00 16 R 8.70 3.95 0.00 1.87 1.98 0.00 3.41 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 *27 L 8.37 4.73 0.00 1.81 1.87 0.95 0.75 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 28 E 8.49 4.75 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 29 I 8.45 4.40 1.87 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 1.40 0.55 0.93 0.00 0.00 30 I 8.43 4.80 1.88 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 1.28 0.67 0.96 0.00 0.00 31 S 7.84 4.66 0.00 3.85 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 32 E 8.64 5.31 0.00 1.95 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 2.23 2.33 0.00 33 I 8.51 4.75 1.84 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 1.23 0.60 0.88 0.00 0.00 34 K 10.23 4.60 0.00 1.65 0.77 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.51 7.81 35 N 8.96 4.51 0.00 2.33 1.42 0.00 0.00 6.61 7.78 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 36 G 6.71 4.30 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 0.00 37 L 8.35 5.44 0.00 1.64 1.56 1.13 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.36 4.74 1.75 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 1.23 1.50 0.92 0.00 0.00 39 C 8.71 4.98 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.05 4.43 0.00 3.01 3.01 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 41 L 8.85 4.69 0.00 1.87 1.73 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.52 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.64 5.18 2.19 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 1.23 1.00 1.39 0.00 0.00 44 H 10.52 4.30 0.00 3.44 3.70 0.00 5.78 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.28 3.99 0.00 1.74 1.61 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.14 1.25 7.81 46 N 7.42 5.05 0.00 2.68 2.80 0.00 0.00 6.99 7.94 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 47 D 8.56 5.07 0.00 2.71 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 48 T 8.53 4.62 4.37 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 1.26 0.00 0.00 49 W 9.02 4.19 0.00 3.48 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 50 E 8.43 4.03 0.00 2.15 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 2.55 0.00 51 D 9.22 4.65 0.00 2.96 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 52 A 7.81 3.75 0.58 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 0.00 0.00 53 L 7.60 3.59 0.00 1.58 1.52 0.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.36 3.88 0.00 3.03 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 55 I 7.46 3.70 1.92 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 1.52 0.77 0.95 0.00 0.00 56 I 7.56 3.29 1.36 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 1.58 0.86 0.19 0.00 0.00 57 R 7.74 3.83 0.00 2.02 2.19 0.00 2.79 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.92 0.00 58 K 8.02 4.00 0.00 2.13 1.94 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.56 0.00 0.00 0.00 0.00 1.88 1.77 7.81 59 C 8.09 4.23 0.00 3.24 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 60 L 7.45 4.52 0.00 1.72 1.66 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.75 4.92 0.00 2.90 2.87 0.00 0.00 7.00 7.23 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 62 L 7.61 3.95 0.00 1.80 1.68 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.66 4.55 0.00 1.98 2.41 0.00 3.21 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 64 L 8.76 5.12 0.00 0.36 1.07 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.18 5.00 0.00 3.25 2.90 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 66 N 8.78 4.60 0.00 2.57 2.68 0.00 0.00 6.71 8.00 0.00 0.00 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 N 8.38 4.80 0.00 2.67 2.77 0.00 0.00 7.11 8.00 0.00 0.00 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 9.08 4.07 0.00 2.81 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 69 N 8.86 4.51 0.00 2.94 2.97 0.00 0.00 7.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.69 4.00 0.00 1.97 1.82 0.00 1.68 0.00 0.00 2.05 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.45 7.81 71 T 8.35 4.33 4.08 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 0.00 0.00 0.00 1.25 0.00 0.00 72 W 7.78 3.63 0.00 3.39 3.35 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 73 D 8.25 4.48 0.00 2.95 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 74 K 9.42 4.61 0.00 1.76 1.85 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.37 7.81 75 N 9.99 5.69 0.00 2.99 3.12 0.00 0.00 7.40 7.55 0.00 0.00 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 V 9.17 3.29 1.91 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 1.19 0.00 0.00 1.04 0.00 0.00 77 K 7.95 4.00 0.00 1.98 1.95 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.50 7.81 78 D 8.43 4.00 0.00 2.52 2.72 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 0.00 0.00 0.00 79 L 6.92 4.19 0.00 0.27 0.13 0.17 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.65 4.34 0.00 2.55 2.76 0.00 0.00 7.19 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 81 Y 7.29 4.95 0.00 2.74 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 82 E 8.61 5.13 0.00 2.08 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 2.30 2.23 0.00 83 L 8.99 5.20 0.00 1.34 1.27 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.52 4.87 0.00 1.67 1.40 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.37 4.65 1.62 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 1.23 0.78 0.87 0.00 0.00 86 V 8.28 4.78 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 0.79 0.00 0.00 0.71 0.00 0.00 87 S 8.97 4.94 0.00 4.19 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.42 4.70 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 89 F 8.23 4.66 0.00 3.39 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.56 4.55 4.41 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 0.96 0.00 0.00 91 L 7.90 4.31 0.00 1.81 1.52 0.98 0.79 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 92 F 8.49 5.17 0.00 3.42 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 93 G 7.93 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.01 0.00 2.76 2.76 0.00 0.00 6.72 7.22 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 95 T 8.36 4.41 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 1.19 0.00 0.00 96 K 8.14 3.87 0.00 1.95 1.93 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.39 7.81 97 K 8.24 4.11 0.00 1.83 1.93 0.00 1.42 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.47 7.81 98 G 7.40 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 0.00 0.00 0.00 0.00 99 N 8.62 4.55 0.00 2.72 2.87 0.00 0.00 6.62 7.61 0.00 0.00 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 K 7.64 4.45 0.00 1.70 1.73 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 101 P 0.00 4.04 0.00 1.60 1.91 0.00 3.87 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 2.19 2.07 0.00 102 D 8.25 4.74 0.00 2.70 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 0.00 103 F 8.81 5.11 0.00 3.04 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 0.00 104 H 8.79 4.22 0.00 3.42 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.05 3.76 0.00 1.68 1.51 0.93 1.19 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 0.00 106 A 7.39 4.26 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.22 4.08 0.00 1.95 1.81 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.36 7.81 108 E 8.65 3.88 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 109 P 0.00 4.44 0.00 2.24 2.12 0.00 3.64 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 2.05 2.06 0.00 110 N 8.16 4.41 0.00 3.06 2.94 0.00 0.00 6.73 7.66 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 0.00 111 E 8.69 4.37 0.00 2.04 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 2.22 2.23 0.00 112 A 8.28 4.13 1.70 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 0.00 113 L 7.97 2.76 0.00 1.49 1.61 0.54 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.58 3.70 2.08 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 1.52 0.77 0.95 0.00 0.00 115 F 8.35 4.55 0.00 3.19 3.32 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 0.00 116 Y 9.22 4.04 0.00 2.84 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 0.00 117 N 8.56 4.41 0.00 2.81 2.93 0.00 0.00 7.08 8.40 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 0.00 118 K 7.78 4.32 0.00 2.12 2.02 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.86 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.97 1.27 7.81 119 I 8.84 3.93 1.63 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 1.52 1.20 0.79 0.00 0.00 120 I 7.73 4.38 1.72 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 1.52 1.02 0.87 0.00 0.00 121 D 8.02 4.50 0.00 2.98 2.76 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 0.00 0.00 0.00 122 E 8.24 4.17 0.00 2.45 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 2.03 2.28 0.00 123 F 7.61 4.13 0.00 3.44 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 0.00 124 K 7.85 3.95 0.00 2.02 1.93 0.00 1.94 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.86 1.65 7.81 125 K 7.74 4.00 0.00 1.83 2.05 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.45 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.53 7.81 126 Q 8.50 4.16 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 127 Y 9.01 4.20 0.00 3.04 2.86 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 0.00 128 N 9.37 4.28 0.00 2.29 1.71 0.00 0.00 6.48 8.49 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 0.00 129 D 8.87 4.33 0.00 2.65 2.69 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 0.00 0.00 0.00 130 D 8.50 4.44 0.00 2.60 2.77 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 0.00 131 K 8.52 4.28 0.00 2.09 2.14 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.30 1.76 7.81 132 I 7.58 4.68 1.89 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 1.34 0.54 0.82 0.00 0.00 133 K 9.03 4.84 0.00 1.57 1.65 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.64 7.81 134 I 7.62 5.27 2.12 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 1.23 1.38 0.90 0.00 0.00 135 G 8.07 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.19 4.33 0.00 1.85 1.72 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.56 7.81 137 F 8.28 3.77 0.00 2.40 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 0.00 138 G 7.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.41 4.57 0.00 2.84 2.80 0.00 0.00 7.02 7.47 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 0.00 140 Y 8.29 4.32 0.00 2.91 2.90 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 0.00 141 M 7.46 4.60 0.00 1.70 1.69 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 142 N 8.50 4.59 0.00 2.87 2.67 0.00 0.00 6.75 7.10 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 0.00 143 I 8.19 4.91 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 1.34 0.79 0.97 0.00 0.00 144 D 8.98 4.96 0.00 2.59 2.58 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 0.00 145 V 8.17 4.79 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 0.82 0.00 0.00 0.97 0.00 0.00 146 T 8.85 4.32 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.73 4.77 0.00 2.62 2.76 0.00 0.00 6.92 8.06 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 0.00 148 D 10.17 4.61 0.00 2.51 2.69 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 0.00 0.00 0.00 149 G 7.78 4.66 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 0.00 150 P 0.00 4.50 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 151 V 7.93 4.38 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 1.19 0.00 0.00 0.92 0.00 0.00 152 T 8.68 5.10 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 0.00 153 I 9.03 4.61 1.88 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 1.11 0.77 0.90 0.00 0.00 154 Y 8.55 5.18 0.00 2.90 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 0.00 155 I 7.04 4.50 1.62 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 1.11 1.24 0.61 0.00 0.00 156 D 8.14 4.86 0.00 2.65 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 0.00 157 T 8.85 3.77 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 1.19 0.00 0.00 158 H 7.57 4.48 0.00 3.23 3.25 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.