NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.1258 8.3545 119.0729 56.7679 31.2898 175.6532 4 R 3.7888 8.7424 116.5197 56.9661 28.3566 177.5661 5 R 4.0116 8.9914 113.2357 57.7452 29.0514 176.9451 6 R 3.9248 7.9345 111.5034 56.6345 28.1106 183.4211 7 A 3.5133 7.5719 120.7778 54.9512 18.5571 176.6097 8 E 4.7835 8.4432 112.7407 56.1485 33.9094 172.6726 9 V 4.3324 7.8867 113.2276 60.8411 33.9105 175.9123 10 R 3.9798 8.2886 122.3759 57.1009 28.5631 181.4626 11 Q 4.4421 8.3456 115.8776 55.3137 31.4338 175.5357 12 L 4.5265 8.5317 125.8965 52.7300 42.8016 172.6720 13 Q 4.5686 8.1883 117.7928 54.3702 30.1431 173.4376 14 P 5.3195 0.0000 0.0000 63.6578 30.4831 173.4899 15 D 4.8104 8.4344 112.0201 55.4633 41.5610 172.6549 16 L 4.3773 7.0600 128.8430 54.7239 44.9756 177.4930 17 V 4.3721 7.9364 117.1540 61.0640 32.0931 178.9908 *18 Y 4.4738 7.4326 118.2324 56.6113 39.9719 179.5600 19 G 3.9873 8.3886 108.3300 47.2645 0.0000 173.6237 20 D 4.8473 7.5338 117.7812 51.0989 44.7832 179.6478 21 V 3.8625 8.5570 124.7390 66.3828 31.8487 179.4184 22 L 4.3345 8.1585 125.0581 60.2034 40.4519 181.6412 23 V 3.9078 8.0100 120.3367 67.5358 31.5183 183.1073 24 T 4.0614 7.8794 113.5996 65.8969 68.1765 178.1851 25 A 4.2756 7.8224 124.6099 55.9375 18.6599 180.1658 *26 F 4.2498 8.4431 121.6023 62.5177 38.1323 180.5060 27 I 4.0842 8.1070 122.5642 65.6550 34.9573 181.4383 28 N 4.7275 8.1381 121.2142 57.8680 37.4347 181.9562 29 K 4.4211 7.8441 126.4398 60.8611 32.0630 183.7074 30 I 4.1344 7.8285 122.0485 64.1203 35.7928 178.8849 31 M 4.3252 7.4213 118.9069 56.1407 32.0079 181.2690 32 R 4.6079 8.4198 122.0600 56.0419 33.3949 174.0939 33 D 4.5700 9.4131 117.8843 53.1611 37.6676 174.9232 34 G 3.8428 8.4340 108.5011 47.2328 0.0000 175.2287 35 K 4.4075 7.8754 127.7450 56.0706 31.9614 182.5201 36 K 4.4638 8.5104 134.2017 59.0364 31.9074 176.6007 37 N 4.5606 8.3689 121.6534 58.4739 37.3169 180.7738 38 L 4.1473 7.8519 123.9424 59.3525 41.2422 180.7441 39 A 4.1593 7.7274 120.1973 54.8996 18.1734 179.4296 40 A 3.9606 8.6379 122.3042 56.0988 18.4210 180.5176 41 R 3.9672 8.0399 120.6567 62.2804 29.6092 181.6399 42 I 3.7042 8.1432 123.3773 65.7189 35.2051 181.0000 *43 F 4.3367 7.9733 123.5701 62.6037 37.9461 180.4741 *44 Y 4.2575 8.0431 124.2516 62.6780 36.7307 180.8326 45 D 4.5811 9.0360 124.3468 58.0768 39.4856 180.2649 46 A 4.8793 7.9393 125.3911 55.5011 18.3676 180.2565 47 C 4.2769 8.4822 120.5120 63.5260 28.1624 178.9328 48 K 4.2300 8.5619 129.1273 60.5873 30.8498 181.9790 49 I 4.0765 7.9349 123.4424 65.3512 35.2541 181.2404 50 I 3.9109 7.4489 122.3742 66.0807 35.3113 181.9939 51 Q 4.5204 8.3798 125.0268 59.7575 27.6458 179.7620 52 E 4.9166 7.7697 117.9965 59.0210 30.0307 182.0028 53 K 4.8204 7.7506 120.8269 55.6387 34.0694 182.4050 54 T 4.5019 8.3656 107.7392 59.9416 71.0133 181.3327 55 G 3.9667 8.0449 108.9115 46.6734 0.0000 174.3754 56 Q 4.3234 7.4106 119.7497 54.1076 29.3188 181.4962 57 E 4.1777 8.5840 115.0940 57.0640 30.3005 176.1352 58 P 4.6093 0.0000 0.0000 65.5745 30.8471 175.7457 59 L 4.4495 7.8052 122.4030 60.6398 41.2815 185.0000 60 K 4.3408 8.0993 126.8337 59.9714 31.6240 181.7574 61 V 4.0372 7.7854 121.3390 66.3968 31.5824 183.3274 *62 F 4.2681 7.7074 121.7634 62.6123 38.0260 181.6664 63 K 4.2133 8.2211 126.9924 60.3431 31.5049 181.7541 64 Q 4.2036 7.8764 121.9369 59.8863 27.8006 180.1304 65 A 4.3684 7.8005 124.2300 55.9958 18.6454 180.5103 66 V 3.8004 8.0591 120.0466 66.8487 31.4538 181.0342 67 E 4.3698 8.4609 120.6186 61.3133 29.2391 181.0832 68 N 5.1490 7.9947 120.3521 55.4021 38.3412 179.7872 69 V 4.4383 7.5745 121.0587 62.2589 34.6206 179.3291 70 K 4.0998 7.8942 121.9859 54.9817 31.2217 179.5599 71 P 4.4717 0.0000 0.0000 61.9070 31.4161 174.3115 72 R 4.2790 8.7088 123.2190 58.2551 29.9956 175.7269 73 M 5.0258 7.5624 115.6948 53.8269 35.6027 175.9068 74 E 4.6754 8.6865 116.7065 58.0170 37.4300 178.0535 *91 V 3.8674 7.7975 119.0820 60.5709 32.6723 177.7616 92 S 4.2760 8.6903 124.4594 57.7192 62.4906 171.3067 93 P 4.5466 0.0000 0.0000 66.9391 30.6886 179.4422 94 R 4.5139 7.8926 119.9487 62.4459 30.0117 184.8017 95 R 4.4791 8.1325 123.6196 61.8544 29.1105 181.1126 96 Q 4.5161 8.2507 121.8923 60.9530 27.8946 183.7052 97 Q 4.3120 8.5988 123.9178 61.0277 28.2413 182.4272 98 S 4.4371 8.1838 121.6093 63.7451 62.5128 178.8116 99 L 4.3381 8.5099 126.0605 59.1785 40.7843 180.9201 100 A 4.2331 7.8210 124.7566 55.7608 17.9294 180.4126 101 L 4.0878 8.4952 123.4621 60.3444 40.7150 181.8725 102 R 4.2606 7.9133 122.1897 62.1342 29.3690 183.2297 *103 W 4.3085 8.1148 125.3268 61.9693 28.3232 181.0615 104 L 4.4076 8.1376 124.6553 59.7436 40.2349 183.0641 105 V 4.1227 7.5095 120.5051 66.2173 31.7682 182.6557 106 Q 4.1758 8.2028 120.6326 60.1414 28.1656 180.1891 107 A 4.3097 8.4782 123.4019 54.7174 18.1925 179.2705 108 A 4.1495 7.5993 119.5780 54.8366 18.7155 179.4288 109 N 4.6518 8.0348 119.1789 55.9992 38.5877 181.3263 110 Q 4.8959 7.7179 119.3783 55.8852 29.0535 181.4120 111 R 4.7851 7.6407 119.3730 54.5883 32.8017 177.3678 112 P 4.4214 0.0000 0.0000 66.0863 31.0304 179.0548 113 E 4.0452 8.2532 115.7880 57.0555 29.9435 179.7793 114 R 4.2315 8.6304 122.3307 58.5945 30.3941 178.0124 115 R 4.3742 7.7454 119.1112 57.5545 31.6203 180.2091 116 A 4.1911 8.5541 124.7612 54.6559 18.6525 180.0796 117 A 4.1944 8.1079 121.0699 55.5493 18.4644 180.7409 118 V 3.7496 7.7115 120.4073 66.4887 31.8956 183.4542 119 R 4.2041 8.1446 123.9306 62.0174 29.2475 181.6019 120 I 3.8989 7.6633 120.6303 64.6525 35.4402 179.7136 121 A 4.2489 8.1582 124.7956 56.1819 18.2416 180.0313 *122 H 4.1966 8.3478 119.7038 60.5637 27.9623 180.0512 123 E 4.3023 8.6053 123.8736 61.3777 29.3318 181.9690 124 L 4.2815 8.2767 124.7437 60.3594 41.1249 182.8869 125 M 4.3249 8.0780 124.1753 60.3655 31.2602 180.7864 126 D 4.5850 8.2192 122.3315 58.2057 40.0984 180.3381 127 A 4.2602 7.9112 121.9491 54.9154 18.1406 179.5644 128 A 4.1416 8.2938 121.0439 54.9004 18.5119 179.2285 129 E 4.4490 7.6804 114.5046 56.9055 31.0086 180.4277 130 G 3.8894 8.6447 107.7709 47.1443 0.0000 173.6075 131 K 4.2944 8.3311 117.5887 53.7692 36.5917 175.5746 132 G 3.8220 8.6658 102.9111 45.3360 0.0000 175.3788 133 G 3.5491 8.8073 104.4561 47.4816 0.0000 175.8437 134 A 4.0619 8.0344 125.1409 55.8136 18.4488 180.7236 135 V 3.6913 7.8802 119.9347 66.5150 31.4395 180.9704 136 K 4.3013 8.2276 126.1505 60.3180 31.5206 182.9309 137 K 4.2622 8.3165 127.3839 60.1258 31.5035 181.9659 138 K 4.1818 7.9115 127.4978 60.5415 31.6967 181.3461 139 E 4.2367 8.0926 122.1360 61.7211 29.3438 181.8067 140 D 4.6027 7.9003 123.0856 59.1655 39.7863 182.4641 141 V 3.9128 7.6151 122.4579 66.4509 31.8738 180.4938 142 E 4.4001 8.6125 122.0670 61.7254 29.4317 181.8969 143 R 4.2475 8.0195 123.1135 61.7204 29.5122 180.3396 144 M 4.5734 8.2410 117.4851 57.2977 31.6209 179.7917 145 A 4.8081 7.9314 122.8584 54.7991 20.7217 177.3306 146 E 4.1360 8.0702 116.6449 56.2424 29.9809 179.2711 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 R 8.35 4.13 0.00 1.85 1.80 0.00 3.34 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 4 R 8.74 3.79 0.00 1.99 1.97 0.00 3.32 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 5 R 8.99 4.01 0.00 1.91 2.08 0.00 3.37 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 6 R 7.93 3.92 0.00 2.00 1.90 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 7 A 7.57 3.51 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 8 E 8.44 4.78 0.00 1.94 1.67 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 2.12 1.86 0.00 9 V 7.89 4.33 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 0.91 0.00 0.00 0.93 0.00 0.00 10 R 8.29 3.98 0.00 1.99 1.83 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 11 Q 8.35 4.44 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.85 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 12 L 8.53 4.53 0.00 1.65 1.49 0.92 0.76 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 13 Q 8.19 4.57 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.83 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 14 P 0.00 5.32 0.00 2.08 1.94 0.00 3.56 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.57 0.00 15 D 8.43 4.81 0.00 2.65 2.55 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 0.00 0.00 0.00 0.00 16 L 7.06 4.38 0.00 1.62 1.46 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.94 4.37 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 0.93 0.00 0.00 *18 Y 7.43 4.47 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.39 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 0.00 0.00 0.00 20 D 7.53 4.85 0.00 2.55 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 3.86 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 0.75 0.00 0.00 0.93 0.00 0.00 22 L 8.16 4.33 0.00 1.64 1.73 0.92 0.92 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 23 V 8.01 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 24 T 7.88 4.06 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 25 A 7.82 4.28 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 *26 F 8.44 4.25 0.00 2.29 2.30 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 27 I 8.11 4.08 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 1.38 0.54 0.91 0.00 0.00 28 N 8.14 4.73 0.00 2.83 2.76 0.00 0.00 6.93 6.81 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 29 K 7.84 4.42 0.00 1.87 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 30 I 7.83 4.13 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 1.50 1.10 0.91 0.00 0.00 31 M 7.42 4.33 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 32 R 8.42 4.61 0.00 1.68 1.75 0.00 3.32 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 33 D 9.41 4.57 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.43 3.84 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 0.00 0.00 0.00 35 K 7.88 4.41 0.00 1.81 1.75 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.31 7.81 36 K 8.51 4.46 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.06 7.81 37 N 8.37 4.56 0.00 2.72 2.88 0.00 0.00 7.05 6.67 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 38 L 7.85 4.15 0.00 1.64 1.70 0.92 0.71 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 39 A 7.73 4.16 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 40 A 8.64 3.96 1.42 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 41 R 8.04 3.97 0.00 1.81 1.96 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 42 I 8.14 3.70 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 1.38 0.53 0.91 0.00 0.00 *43 F 7.97 4.34 0.00 2.28 2.31 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 *44 Y 8.04 4.26 0.00 2.32 2.34 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 45 D 9.04 4.58 0.00 2.58 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.94 4.88 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 47 C 8.48 4.28 0.00 2.84 2.95 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 48 K 8.56 4.23 0.00 1.73 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 49 I 7.93 4.08 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 1.38 0.54 0.91 0.00 0.00 50 I 7.45 3.91 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 1.38 0.54 0.91 0.00 0.00 51 Q 8.38 4.52 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 52 E 7.77 4.92 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 53 K 7.75 4.82 0.00 1.72 1.67 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.22 7.81 54 T 8.37 4.50 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 55 G 8.04 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 0.00 0.00 0.00 56 Q 7.41 4.32 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 57 E 8.58 4.18 0.00 1.89 1.87 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 2.31 1.87 0.00 58 P 0.00 4.61 0.00 2.07 2.08 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 2.02 1.65 0.00 59 L 7.81 4.45 0.00 1.64 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.10 4.34 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.07 7.81 61 V 7.79 4.04 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 0.71 0.00 0.00 0.93 0.00 0.00 *62 F 7.71 4.27 0.00 2.41 2.31 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 63 K 8.22 4.21 0.00 1.77 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 64 Q 7.88 4.20 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 65 A 7.80 4.37 1.49 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 66 V 8.06 3.80 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 0.76 0.00 0.00 0.93 0.00 0.00 67 E 8.46 4.37 0.00 1.98 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 0.00 2.24 2.19 0.00 68 N 7.99 5.15 0.00 2.83 2.71 0.00 0.00 6.68 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 69 V 7.57 4.44 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 0.87 0.00 0.00 0.93 0.00 0.00 70 K 7.89 4.10 0.00 1.73 1.69 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.27 7.81 71 P 0.00 4.47 0.00 2.08 1.87 0.00 3.70 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 1.94 1.58 0.00 72 R 8.71 4.28 0.00 1.82 1.86 0.00 3.18 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 73 M 7.56 5.03 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.07 0.00 74 E 8.69 4.68 0.00 1.93 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 2.10 1.83 0.00 *91 V 7.80 3.87 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 0.86 0.00 0.00 0.93 0.00 0.00 92 S 8.69 4.28 0.00 3.64 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 93 P 0.00 4.55 0.00 2.16 2.00 0.00 3.70 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 1.94 1.66 0.00 94 R 7.89 4.51 0.00 1.81 1.94 0.00 3.23 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 95 R 8.13 4.48 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 96 Q 8.25 4.52 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 97 Q 8.60 4.31 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 98 S 8.18 4.44 0.00 3.70 3.83 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 99 L 8.51 4.34 0.00 1.59 1.70 0.92 0.96 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 0.00 100 A 7.82 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.50 4.09 0.00 1.63 1.70 0.92 0.89 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 0.00 102 R 7.91 4.26 0.00 1.80 1.93 0.00 3.25 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *103 W 8.11 4.31 0.00 2.49 2.34 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 0.00 104 L 8.14 4.41 0.00 1.68 1.71 0.92 0.95 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 0.00 105 V 7.51 4.12 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 0.72 0.00 0.00 0.93 0.00 0.00 106 Q 8.20 4.18 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 107 A 8.48 4.31 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.60 4.15 1.42 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 0.00 109 N 8.03 4.65 0.00 2.86 2.74 0.00 0.00 6.66 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.72 4.90 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 111 R 7.64 4.79 0.00 1.80 1.70 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 112 P 0.00 4.42 0.00 2.08 1.99 0.00 3.75 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 1.94 1.59 0.00 113 E 8.25 4.05 0.00 1.97 1.81 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 2.24 1.91 0.00 114 R 8.63 4.23 0.00 1.82 1.86 0.00 3.23 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 115 R 7.75 4.37 0.00 1.81 1.83 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 116 A 8.55 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 0.00 117 A 8.11 4.19 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 0.00 118 V 7.71 3.75 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 0.80 0.00 0.00 0.93 0.00 0.00 119 R 8.14 4.20 0.00 1.83 1.97 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 120 I 7.66 3.90 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 1.45 0.54 0.91 0.00 0.00 121 A 8.16 4.25 1.47 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 0.00 0.00 *122 H 8.35 4.20 0.00 2.95 3.09 0.00 7.22 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.61 4.30 0.00 1.96 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 0.00 2.25 2.20 0.00 124 L 8.28 4.28 0.00 1.65 1.69 0.92 0.78 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 0.00 125 M 8.08 4.32 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 126 D 8.22 4.58 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.91 4.26 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.29 4.14 1.44 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 0.00 129 E 7.68 4.45 0.00 2.08 1.84 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 2.19 2.18 0.00 130 G 8.64 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 0.00 131 K 8.33 4.29 0.00 1.74 1.54 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.23 7.81 132 G 8.67 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 0.00 133 G 8.81 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.03 4.06 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 0.00 135 V 7.88 3.69 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 0.80 0.00 0.00 0.93 0.00 0.00 136 K 8.23 4.30 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 137 K 8.32 4.26 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.33 7.81 138 K 7.91 4.18 0.00 1.73 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 139 E 8.09 4.24 0.00 1.93 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 2.25 2.22 0.00 140 D 7.90 4.60 0.00 2.67 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 0.00 141 V 7.62 3.91 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 0.90 0.00 0.00 0.93 0.00 0.00 142 E 8.61 4.40 0.00 1.95 1.98 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 2.24 2.19 0.00 143 R 8.02 4.25 0.00 1.91 1.88 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 144 M 8.24 4.57 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 145 A 7.93 4.81 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.07 4.14 0.00 2.00 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.