NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.9262 8.0249 114.1760 59.7030 39.5897 175.7061 3 W 4.7286 7.1769 121.6404 56.5271 29.5652 174.3338 4 K 4.5142 10.1461 121.8012 56.4391 34.8504 176.5309 5 R 4.4284 7.8788 117.2456 54.3355 31.4246 176.4541 6 K 4.2945 8.3905 122.8660 54.9816 31.1075 175.1633 7 I 4.5102 7.5959 122.4830 58.1635 41.0886 175.8608 8 T 4.1671 8.1924 117.7428 61.2178 71.0463 175.6209 9 L 3.8550 8.2693 121.6972 57.6658 41.5561 179.2527 10 E 3.8655 8.1817 118.6968 59.4055 29.3605 178.6494 11 A 3.9480 7.6667 119.0945 54.9951 18.4821 179.1756 12 L 3.8972 7.6147 116.4671 58.2039 41.7958 179.2949 13 N 4.6535 8.4473 114.9004 55.9684 38.7133 178.3161 14 A 4.2011 8.2035 123.0587 51.9129 18.7562 179.3066 *16 G 4.1092 8.1817 111.1012 46.0483 0.0000 173.8595 17 E 4.2320 7.7488 120.1723 57.7757 29.7108 177.4465 18 G 4.1112 9.6778 112.2807 44.9667 0.0000 173.0499 19 N 4.7065 8.0531 112.9097 53.6062 38.0182 176.3706 *21 V 3.9778 8.9233 115.9385 62.3599 34.3502 176.9595 22 G 3.6285 8.1209 108.6457 48.3272 0.0000 175.4598 23 F 4.2330 8.3228 121.7473 60.6842 39.4076 175.6101 24 L 4.1858 7.9292 117.1591 53.5293 41.7506 175.3926 25 D 4.3098 7.6308 117.0848 55.1068 40.0681 173.5477 26 I 4.1687 7.7479 118.2304 60.8384 38.0830 176.4264 27 R 4.8110 8.7407 125.9272 54.2244 33.6775 174.7240 28 F 4.6754 9.6358 123.5973 57.4482 39.1230 175.3374 29 E 4.7499 9.1554 121.8623 56.5173 31.8648 175.5569 30 H 4.8308 7.9505 117.7543 55.1896 33.5195 172.2799 31 I 5.0155 7.9680 123.7012 59.4474 40.7950 174.3518 32 G 4.6023 9.1952 118.2818 43.9095 0.0000 171.8660 33 D 4.6230 9.0022 118.1563 57.3718 40.8136 177.2460 34 D 4.6684 7.9547 115.5264 52.9045 40.8372 175.3714 35 T 5.3308 8.4394 107.7536 60.8680 72.8980 172.0485 36 L 5.3525 9.1212 124.4666 53.5691 45.6911 174.8899 37 E 5.4541 9.7047 124.9010 54.7167 33.3572 174.7629 38 A 5.0151 8.8614 123.9326 50.9245 23.3901 175.3570 39 T 5.1635 8.7950 110.0852 58.3720 72.2201 171.3167 *41 P 4.4685 0.0000 0.0000 63.3391 32.2519 176.7055 42 V 4.1868 8.1935 120.8517 60.9313 30.5460 174.4582 43 D 5.0560 8.6013 124.4122 50.8605 42.3132 176.7895 44 S 4.0285 8.8222 112.0872 61.9831 62.5782 175.3493 45 R 4.2081 7.7611 117.1198 56.7718 30.2432 176.6852 46 T 4.5146 8.0885 107.1399 60.7297 70.1123 174.0514 47 K 4.7341 7.7906 121.5716 55.5376 33.6690 176.1698 48 Q 4.4177 8.8676 120.2115 54.2067 30.1969 174.9924 49 P 4.0536 0.0000 0.0000 65.2446 31.1497 177.3861 50 F 4.9141 7.7637 114.9291 57.3563 38.8901 176.9048 51 G 3.9905 8.0761 108.7935 45.3262 0.0000 174.2771 52 L 4.6594 7.4151 119.4487 53.1686 43.8556 175.8330 53 L 4.2234 8.5673 124.7437 55.6189 42.7571 176.1964 54 H 4.2296 9.7196 127.5125 55.8379 30.2821 176.2462 55 G 3.7133 9.1079 112.9873 48.0741 0.0000 175.6355 56 G 3.6340 8.5312 107.0265 47.5623 0.0000 175.5399 57 A 4.0275 8.2717 123.3930 55.1409 18.3796 179.9252 58 S 4.0934 8.0225 113.3233 61.7116 62.9178 176.9021 59 V 3.6620 7.6820 121.1568 65.6220 31.2093 178.3096 60 V 3.5424 7.7822 118.2892 65.8393 31.4079 177.7505 61 L 3.8717 7.9613 119.8439 58.0289 41.9162 178.8504 62 A 3.9703 7.9902 120.6903 55.2583 18.4028 179.3154 63 E 3.9510 8.9133 118.2297 59.2378 29.5765 179.1824 64 S 4.1533 8.5165 115.8768 61.5574 62.9036 176.7612 65 I 4.0194 7.9044 122.5195 64.4540 36.9569 178.6296 66 G 3.4258 8.1232 106.8230 47.8199 0.0000 175.8108 67 S 4.1574 8.1283 116.5514 61.2414 63.1657 177.0530 68 V 3.5581 7.6548 115.5666 63.7535 30.9912 178.4298 69 A 3.8442 7.6453 120.0436 54.9993 18.4566 179.5347 70 G 4.1572 7.4273 104.2081 48.2019 0.0000 175.1974 71 Y 4.1857 8.3009 122.0909 60.5551 38.9357 178.1710 72 L 3.9123 8.6757 119.6044 56.9464 41.3307 178.1029 73 C 4.8883 7.9281 115.7529 59.4302 28.6770 172.6341 74 T 4.7703 7.7940 111.8213 59.6839 71.3175 172.7711 75 E 4.6763 8.0748 118.6057 55.6027 34.4216 177.9997 76 G 3.8184 8.3722 110.7741 46.8659 0.0000 175.7881 77 E 4.1891 8.9828 124.3309 57.4832 29.5013 176.7928 78 Q 4.4216 7.9215 118.6674 56.1642 29.4865 175.7725 79 K 4.9274 9.3013 122.7583 54.8053 36.5232 174.7773 80 V 5.0240 8.5618 123.0997 61.0774 34.2090 174.7241 81 V 4.4868 8.7537 126.8788 60.8237 34.8756 174.5499 82 G 4.0172 8.7830 114.8425 46.3944 0.0000 172.6649 83 L 4.5637 9.0893 128.9468 56.8443 43.4372 176.5846 84 E 4.8079 7.8432 118.2419 54.8935 33.1101 173.5972 85 I 5.3445 8.3295 125.7379 59.5461 41.6457 173.5712 86 N 5.2294 8.9658 123.4921 51.8275 40.9569 172.9725 87 A 5.0671 8.3605 120.3185 50.8983 22.8992 175.0706 88 N 4.7957 9.2568 118.3426 51.7924 41.1321 173.7380 89 H 4.8672 8.7057 121.5997 55.2001 28.9934 175.2600 90 V 4.4172 8.6456 116.5777 61.2959 34.1671 176.5045 91 R 4.6000 7.7717 119.0933 54.3708 33.0391 174.4715 92 S 4.5063 8.5331 118.8272 57.6701 64.5281 173.1602 93 A 4.8020 8.2025 122.8497 50.6737 21.7553 176.9295 94 R 4.5826 8.5187 117.8382 55.8064 32.5021 174.7301 95 E 4.5664 8.0262 113.5941 55.6256 33.0646 175.9971 96 G 3.7257 8.5660 106.0088 46.5423 0.0000 172.3401 97 R 4.9083 8.3940 120.1329 54.4991 33.5633 175.9465 98 V 4.4336 8.2539 115.1063 60.2530 34.5761 174.7063 99 R 4.8950 9.3075 123.0220 54.6412 33.0336 174.1706 100 G 4.3733 9.2118 114.3474 44.5441 0.0000 172.2142 101 V 4.9857 9.2921 125.3069 61.1845 34.2968 173.5776 102 C 5.4202 9.4211 128.8161 57.6323 33.9249 172.3581 103 K 5.3426 9.2826 126.6437 53.9787 35.7218 173.4109 104 P 4.2878 0.0000 0.0000 62.8134 31.6347 175.6768 105 L 4.5510 8.4603 121.5304 56.1306 44.1806 176.6511 106 H 4.5646 7.3666 116.6009 54.9718 33.4265 172.4977 107 L 4.6264 8.3365 125.2898 53.1183 43.9288 175.7023 108 G 4.1574 8.5091 113.7625 43.0429 0.0000 172.2156 109 S 4.2868 8.5531 112.8148 60.4144 63.3537 175.0040 110 R 4.6205 7.8817 117.0055 55.9307 32.7545 174.9234 111 H 5.8497 7.8524 114.4470 54.0773 33.7319 172.2152 112 Q 4.9019 8.6140 117.7412 54.3594 33.9111 174.3501 113 V 4.7849 8.5619 120.9507 61.1215 34.6872 174.2487 114 W 5.2225 9.5357 128.0290 54.8965 32.6007 174.3299 115 Q 5.1458 9.3114 124.7982 54.4365 31.2935 174.0884 116 I 5.0666 9.1125 127.2226 59.6251 40.4946 174.1163 117 E 4.8911 9.2404 127.0738 54.4994 32.0574 174.9617 118 I 4.8173 8.4799 125.5355 59.4523 39.9981 174.8058 119 F 5.5191 9.3603 125.4349 55.5415 42.9053 175.2233 120 D 4.9532 8.9272 121.7667 52.0571 40.7178 177.0604 121 E 3.9286 8.7142 116.4688 59.1440 29.3277 177.7707 122 K 4.2862 8.2570 117.1035 56.0461 32.0444 177.3365 123 G 3.8813 8.2761 106.5074 45.7734 0.0000 174.4083 124 R 4.3627 8.3977 119.6239 54.8089 31.0004 175.7934 125 L 4.1253 8.6892 124.0966 55.6031 42.7564 175.8354 126 C 4.7347 8.9728 123.9732 60.9778 31.0182 173.6798 127 C 5.1921 7.5747 117.5948 57.8362 35.1029 172.6387 128 S 5.1781 8.7295 119.9947 56.6279 65.0254 172.6094 129 S 5.1099 9.4568 120.6012 56.7967 66.8254 172.2509 130 R 5.1509 8.9580 122.9572 54.4656 33.4721 173.4219 131 L 5.2605 9.5083 128.0122 53.5910 45.4326 174.8212 132 T 5.2944 9.1822 123.0171 62.0589 71.2428 173.4912 133 T 5.3132 9.1217 115.8787 59.8060 72.7469 172.5807 134 A 5.2183 8.8611 123.4577 50.2982 22.2507 175.1447 135 I 4.8116 8.4824 122.8852 59.9320 38.6073 175.3570 136 L 4.9311 9.1966 126.2629 52.9534 46.5340 175.9059 137 L 4.9015 8.4966 119.2332 53.1833 44.3540 176.7784 138 E 4.2499 8.5671 122.4250 56.4035 30.4293 176.1139 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 2 I 8.02 3.93 1.60 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.18 0.64 0.00 0.00 3 W 7.18 4.73 0.00 3.43 3.07 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 0.00 0.00 0.00 4 K 10.15 4.51 0.00 1.81 1.82 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 5 R 7.88 4.43 0.00 1.65 1.73 0.00 2.47 0.00 0.00 2.77 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 6 K 8.39 4.29 0.00 1.73 1.77 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 I 7.60 4.51 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.77 0.00 0.00 8 T 8.19 4.17 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 1.18 0.00 0.00 9 L 8.27 3.86 0.00 1.70 1.78 0.95 0.67 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 10 E 8.18 3.87 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 2.37 2.39 0.00 11 A 7.67 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.61 3.90 0.00 1.55 1.29 0.48 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.45 4.65 0.00 2.81 2.93 0.00 0.00 7.09 7.32 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 14 A 8.20 4.20 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 *16 G 8.18 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.75 4.23 0.00 2.05 1.92 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 2.61 2.41 0.00 18 G 9.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.05 4.71 0.00 2.88 2.71 0.00 0.00 5.83 7.68 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 *21 V 8.92 3.98 2.25 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 1.01 0.00 0.00 0.97 0.00 0.00 22 G 8.12 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.32 4.23 0.00 2.92 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 24 L 7.93 4.19 0.00 1.64 1.60 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.63 4.31 0.00 2.69 2.62 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 26 I 7.75 4.17 1.89 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 1.12 0.58 0.59 0.00 0.00 27 R 8.74 4.81 0.00 1.65 1.77 0.00 3.11 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 28 F 9.64 4.68 0.00 2.85 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.16 4.75 0.00 1.83 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 2.39 0.00 30 H 7.95 4.83 0.00 3.21 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.97 5.02 1.66 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.77 0.00 0.00 32 G 9.20 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 9.00 4.62 0.00 2.70 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 34 D 7.95 4.67 0.00 2.48 2.53 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 35 T 8.44 5.33 4.43 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 1.34 0.00 0.00 36 L 9.12 5.35 0.00 1.86 1.60 0.81 0.86 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 37 E 9.70 5.45 0.00 1.97 1.83 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 2.30 2.34 0.00 38 A 8.86 5.02 0.65 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 0.00 0.00 39 T 8.79 5.16 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 1.29 0.00 0.00 *41 P 0.00 4.47 0.00 2.31 2.09 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 42 V 8.19 4.19 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 0.80 0.00 0.00 0.97 0.00 0.00 43 D 8.60 5.06 0.00 2.84 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 44 S 8.82 4.03 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.76 4.21 0.00 1.68 1.67 0.00 2.58 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 46 T 8.09 4.51 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 47 K 7.79 4.73 0.00 1.79 1.76 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.55 7.81 48 Q 8.87 4.42 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 49 P 0.00 4.05 0.00 1.05 1.76 0.00 3.37 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 50 F 7.76 4.91 0.00 3.25 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.08 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 52 L 7.42 4.66 0.00 1.78 1.60 1.03 0.55 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 53 L 8.57 4.22 0.00 1.84 1.58 0.92 0.93 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 54 H 9.72 4.23 0.00 3.26 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.11 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 56 G 8.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.27 4.03 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 58 S 8.02 4.09 0.00 4.09 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 59 V 7.68 3.66 2.23 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 1.01 0.00 0.00 0.97 0.00 0.00 60 V 7.78 3.54 2.24 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 0.95 0.00 0.00 1.02 0.00 0.00 61 L 7.96 3.87 0.00 1.76 1.78 0.77 0.93 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 62 A 7.99 3.97 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 63 E 8.91 3.95 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 64 S 8.52 4.15 0.00 4.01 3.92 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 65 I 7.90 4.02 1.87 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 1.26 0.81 0.98 0.00 0.00 66 G 8.12 3.43 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 0.00 67 S 8.13 4.16 0.00 4.07 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 68 V 7.65 3.56 1.78 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 0.73 0.00 0.00 0.89 0.00 0.00 69 A 7.65 3.84 0.55 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 70 G 7.43 4.16 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 0.00 0.00 0.00 71 Y 8.30 4.19 0.00 3.08 3.08 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 0.00 72 L 8.68 3.91 0.00 1.97 1.77 0.99 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.93 4.89 0.00 3.58 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 74 T 7.79 4.77 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 1.35 0.00 0.00 75 E 8.07 4.68 0.00 1.97 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 2.26 2.25 0.00 76 G 8.37 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 77 E 8.98 4.19 0.00 1.99 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 2.33 2.34 0.00 78 Q 7.92 4.42 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 79 K 9.30 4.93 0.00 1.87 1.64 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.58 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.46 7.81 80 V 8.56 5.02 2.23 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 0.98 0.00 0.00 1.11 0.00 0.00 81 V 8.75 4.49 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 0.93 0.00 0.00 0.97 0.00 0.00 82 G 8.78 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.09 4.56 0.00 1.78 1.74 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.84 4.81 0.00 2.10 1.74 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 2.30 2.40 0.00 85 I 8.33 5.34 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.96 0.00 0.00 86 N 8.97 5.23 0.00 2.86 2.84 0.00 0.00 6.66 6.98 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 87 A 8.36 5.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.26 4.80 0.00 2.54 2.69 0.00 0.00 7.06 8.15 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 89 H 8.71 4.87 0.00 3.02 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.65 4.42 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 0.64 0.00 0.00 0.97 0.00 0.00 91 R 7.77 4.60 0.00 1.72 1.85 0.00 3.30 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 92 S 8.53 4.51 0.00 4.02 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 93 A 8.20 4.80 1.23 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 94 R 8.52 4.58 0.00 1.75 1.94 0.00 3.29 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 95 E 8.03 4.57 0.00 2.02 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 0.00 2.18 2.42 0.00 96 G 8.57 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 0.00 0.00 0.00 97 R 8.39 4.91 0.00 1.65 1.78 0.00 3.18 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 98 V 8.25 4.43 2.15 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 0.95 0.00 0.00 0.91 0.00 0.00 99 R 9.31 4.89 0.00 1.85 1.88 0.00 3.09 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 100 G 9.21 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 0.00 0.00 0.00 0.00 101 V 9.29 4.99 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 1.15 0.00 0.00 1.15 0.00 0.00 102 C 9.42 5.42 0.00 3.06 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 0.00 103 K 9.28 5.34 0.00 1.97 1.70 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.62 7.81 104 P 0.00 4.29 0.00 1.65 1.12 0.00 3.91 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 1.85 1.83 0.00 105 L 8.46 4.55 0.00 1.54 1.68 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.37 4.56 0.00 3.13 3.00 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.34 4.63 0.00 1.31 1.39 0.71 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.51 4.16 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 0.00 0.00 0.00 109 S 8.55 4.29 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.88 4.62 0.00 1.57 1.76 0.00 3.09 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 111 H 7.85 5.85 0.00 3.07 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.61 4.90 0.00 2.21 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 113 V 8.56 4.78 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 0.81 0.00 0.00 0.94 0.00 0.00 114 W 9.54 5.22 0.00 3.32 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 0.00 115 Q 9.31 5.15 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 116 I 9.11 5.07 1.90 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 1.41 0.52 0.98 0.00 0.00 117 E 9.24 4.89 0.00 1.90 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 2.30 2.52 0.00 118 I 8.48 4.82 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.92 0.00 0.00 119 F 9.36 5.52 0.00 2.96 3.02 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 0.00 0.00 0.00 0.00 120 D 8.93 4.95 0.00 2.93 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 0.00 121 E 8.71 3.93 0.00 2.10 2.15 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 2.29 2.36 0.00 122 K 8.26 4.29 0.00 1.89 1.87 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.44 7.81 123 G 8.28 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 0.00 0.00 0.00 124 R 8.40 4.36 0.00 2.31 1.92 0.00 3.16 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 125 L 8.69 4.13 0.00 1.71 1.64 0.59 0.89 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 0.00 126 C 8.97 4.73 0.00 2.83 3.02 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 0.00 0.00 0.00 0.00 127 C 7.57 5.19 0.00 2.94 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 0.00 128 S 8.73 5.18 0.00 3.87 3.61 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 0.00 0.00 0.00 0.00 129 S 9.46 5.11 0.00 3.82 3.61 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 0.00 0.00 0.00 0.00 130 R 8.96 5.15 0.00 1.91 1.89 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 131 L 9.51 5.26 0.00 1.82 1.65 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.18 5.29 4.39 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 1.25 0.00 0.00 133 T 9.12 5.31 4.46 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 1.44 0.00 0.00 134 A 8.86 5.22 1.29 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 0.00 0.00 0.00 135 I 8.48 4.81 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 0.98 0.00 0.00 136 L 9.20 4.93 0.00 1.54 1.52 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.50 4.90 0.00 1.46 1.58 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.57 4.25 0.00 1.91 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 2.21 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.