NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0797 8.1733 122.1234 54.5645 33.6594 176.0860 *9 D 4.0561 8.2759 116.1418 55.4123 42.9209 178.1637 10 D 4.4445 7.8793 118.7852 57.3163 40.9274 178.2540 11 Q 3.9502 7.9090 119.6266 59.2604 29.1270 178.3577 12 R 3.8581 7.3647 119.2677 58.6644 29.7135 178.8609 13 W 4.6790 8.3536 128.7887 60.8066 30.7614 178.1485 14 Q 3.7499 8.3301 117.9959 58.8188 28.0486 178.9878 15 S 4.1052 7.8863 116.0137 61.4257 62.8772 176.8517 16 V 3.6146 7.6277 120.8325 66.0755 31.0636 178.0707 17 L 3.3958 7.0292 117.2340 57.3401 41.4386 178.7639 18 A 4.0886 7.7090 118.2184 51.9137 18.8906 177.1349 19 R 4.4962 8.1298 115.1073 55.6389 28.7127 176.4669 20 D 4.4559 7.9740 117.3852 53.3594 41.6022 174.9113 21 P 5.1143 0.0000 0.0000 65.1544 31.6021 178.4566 22 N 4.3161 8.6626 115.0823 55.5335 38.7212 175.8113 23 A 4.1864 7.8635 120.7447 53.4276 19.5618 177.2890 24 D 4.4507 7.7286 116.7976 56.0851 41.4601 175.9607 25 G 4.1716 8.8700 111.4627 45.9613 0.0000 174.7174 26 E 4.0923 7.7500 118.4859 59.1096 29.5490 176.2067 27 F 5.2368 7.0749 111.0629 56.5153 40.6338 173.5745 28 V 5.0197 9.4409 117.9263 60.2298 34.9414 174.3936 29 F 5.5189 9.1772 117.2702 55.2209 41.1925 173.9564 30 A 4.7727 8.9657 121.5095 50.0094 22.6769 175.3353 31 V 4.7960 8.2211 120.8112 60.9345 32.9134 176.4933 32 R 4.6343 8.9648 126.7164 59.5522 29.2336 178.3906 33 T 4.1793 8.2697 108.5788 63.2466 69.2763 174.9324 34 T 4.4324 7.7663 110.0461 60.2698 70.8950 174.4588 35 G 4.1352 9.0181 110.6610 46.5708 0.0000 172.6715 36 I 5.8364 7.9253 119.1778 58.2765 40.9079 174.6628 37 F 5.4556 8.1086 118.2759 53.8824 41.9525 173.6567 *39 R 4.3530 8.2632 116.5355 55.3980 31.2171 175.2239 40 P 4.4004 0.0000 0.0000 65.5544 31.4863 177.8546 41 S 4.7170 8.0102 110.4680 57.8052 63.4667 173.6881 42 C 4.1887 8.3231 122.9341 60.0373 31.4947 174.5705 43 R 4.1805 8.6135 124.8484 57.4118 29.9515 176.8547 44 A 4.1791 7.3535 120.9282 51.3225 18.9625 177.7241 45 R 3.9536 8.4740 117.7111 56.8918 29.7743 176.3648 46 H 4.6437 8.5143 116.3477 55.6641 29.6124 174.5898 47 A 4.7380 8.4139 124.2594 50.3565 21.1690 176.5624 48 L 4.3062 8.2763 119.0568 54.4945 42.6079 178.2362 49 R 2.9018 8.8515 124.7262 59.1968 29.9036 177.8888 50 E 3.9182 8.0336 113.0750 58.5123 29.5786 176.7577 51 N 4.7828 8.7502 117.0456 53.2565 40.2262 174.7288 52 V 4.7809 7.5887 119.6664 61.7032 33.2985 174.9462 53 S 4.4712 8.3566 118.9599 56.8788 66.8003 172.5625 54 F 5.3605 8.3055 118.1448 55.9907 42.2976 174.3278 55 Y 4.8407 9.2211 118.2510 56.0352 41.5100 176.7291 56 A 4.1186 9.0869 126.2726 54.8447 18.7419 176.8819 57 N 4.5209 7.8962 110.1097 52.0249 39.2441 174.0083 58 A 3.8825 8.8013 123.3108 56.8980 18.6332 181.3839 59 S 4.0712 7.4665 112.8853 63.0621 62.7579 178.5475 60 E 4.0688 8.3138 121.9006 59.0811 29.5049 179.3480 61 A 3.0603 8.2339 121.3897 54.6602 18.0917 179.2430 62 L 3.9666 7.6935 117.7889 57.4247 41.5239 179.3895 63 A 3.7098 7.8380 119.1262 55.1622 18.2393 178.5206 64 A 4.3971 7.5775 116.4616 51.7586 18.8673 177.7490 65 G 3.6051 8.8631 107.2376 46.1729 0.0000 173.3686 66 F 5.1944 7.8473 117.8929 55.2879 41.8175 174.9438 67 R 4.9157 8.9227 120.2586 53.8917 31.8055 174.1877 68 P 3.5021 0.0000 0.0000 62.5998 31.9335 175.5736 69 C 4.1582 7.8098 121.7270 59.4343 32.5831 174.0196 70 K 4.3664 8.5679 123.0695 56.6782 31.9944 177.4732 71 R 4.4755 7.8284 118.4308 56.3946 32.2143 176.2102 72 C 4.4715 8.0571 111.5003 57.7430 31.0573 174.3278 73 Q 3.1256 7.4012 117.1266 55.9090 24.7665 178.0034 74 P 4.6780 0.0000 0.0000 63.3802 32.2820 177.6374 75 D 4.6731 7.9447 120.4799 54.7331 40.3267 177.1205 76 K 4.4286 7.2292 119.8577 52.5835 33.2061 181.5206 77 A 4.2621 8.3522 126.8082 51.7519 18.9984 177.6503 *78 N 4.3552 8.6329 115.9615 52.3764 37.8747 172.2248 79 P 4.2295 0.0000 0.0000 66.5315 31.3475 179.3637 *80 R 3.4062 7.6459 115.1403 60.5428 29.6529 181.3784 81 Q 4.1162 8.0377 118.0270 59.5066 29.6755 178.1960 82 H 4.0354 8.4803 121.0959 60.2843 29.8502 177.5562 83 R 3.9436 8.4306 122.3350 61.4703 29.1062 180.5568 84 L 4.1350 7.8728 119.9162 57.8368 41.4750 179.4180 85 D 4.3379 8.5377 119.0873 57.0961 40.6702 178.9762 86 K 3.8828 7.7263 118.6331 59.5884 32.1080 179.0825 87 I 3.5353 7.4927 119.2654 64.7585 37.0234 178.3289 88 T 3.7089 7.4392 116.1216 67.2073 68.3842 175.7404 89 H 4.1648 8.0035 119.3589 59.2962 29.9841 177.1053 90 A 3.9395 7.8868 122.5477 55.2153 17.9506 179.3562 91 C 3.6131 8.0019 114.8075 62.9939 28.5162 176.3000 92 R 4.1159 7.9914 119.5857 59.2512 29.4320 179.1314 93 L 4.0477 7.8320 117.6326 57.0445 41.6718 178.6152 94 L 4.2747 7.4277 116.5777 55.0909 43.2442 177.2242 95 E 2.9003 7.2695 120.8079 53.5334 27.9219 175.9046 96 Q 4.1085 6.1941 115.2231 54.4558 31.9941 175.3571 97 E 4.3166 9.1951 120.6103 59.7663 29.7409 178.1813 98 T 3.9447 7.8644 108.5141 60.6931 69.0422 172.0908 99 P 4.5167 0.0000 0.0000 62.7508 31.8207 175.5419 100 V 4.2970 8.4476 121.5941 61.0023 33.3361 176.0235 101 T 4.2018 8.2022 117.8207 61.1033 71.0350 175.0989 102 L 3.8511 8.5106 124.0265 58.4887 41.8366 179.2320 103 E 3.8865 8.0752 118.3469 59.2577 29.7595 178.4787 104 A 3.9470 7.7908 120.3693 54.8878 18.3958 179.3996 105 L 3.7509 8.2816 118.9959 58.2364 42.2972 178.8092 106 A 4.0278 8.6651 123.8480 55.9592 18.0348 179.6922 107 D 4.3320 8.0476 118.4011 58.8706 39.9242 180.3674 108 Q 4.3392 7.7217 118.1373 58.8349 28.9237 179.0694 109 V 4.0289 7.7323 109.4073 60.0217 32.3641 174.4251 110 A 3.4974 7.4421 125.3436 51.9981 16.0042 176.8960 *112 S 4.3025 7.9822 114.9661 58.0388 65.4609 172.8024 113 P 4.2544 0.0000 0.0000 66.1513 30.6136 178.5408 114 F 4.1261 8.1568 119.7600 61.6078 39.4205 176.6966 115 H 3.8307 8.1997 115.7914 58.4660 28.4832 177.4259 116 L 3.8960 7.9329 122.1141 58.5449 42.0626 178.4514 117 H 3.9790 8.0443 117.9597 59.3009 29.6046 177.1570 118 R 3.7974 7.7259 120.4064 59.2271 29.8789 178.3030 119 L 3.9010 8.2235 120.6257 57.8944 42.1237 178.4633 120 F 3.7473 8.5606 121.0659 61.3626 38.9091 177.1620 121 K 4.3351 8.1514 118.2068 59.0441 31.6701 178.5013 122 A 4.0997 7.4126 120.6614 54.8085 18.5181 179.2191 123 T 4.0491 7.9669 113.8089 66.3677 69.0141 177.0947 124 T 4.1310 7.7441 110.5382 64.4001 69.2319 175.6997 125 G 4.1145 7.9867 108.6773 45.3505 0.0000 173.6717 *127 T 4.1238 7.7730 109.5583 60.4418 71.1407 172.4856 128 P 2.9700 0.0000 0.0000 65.3198 31.2044 178.6044 129 K 3.8257 7.9443 117.4015 59.6039 32.0683 178.2286 130 A 4.2247 7.8248 120.4566 55.1300 18.3276 179.2039 131 W 4.1639 8.5880 126.8468 60.9412 30.7603 177.9834 132 Q 4.2139 8.5294 119.3931 59.3067 28.4970 178.1579 133 Q 4.0723 8.3411 119.0451 58.7732 28.7652 178.4925 134 A 3.9320 8.7682 122.2917 54.7548 18.1955 179.3441 135 W 3.8824 7.8960 125.6311 60.6294 30.8507 177.9322 136 R 3.7033 8.0776 116.2130 59.7384 29.6551 178.1626 137 A 3.8678 8.2176 120.6801 56.6458 18.3287 178.7823 138 R 4.0933 8.0147 122.2083 58.3476 29.7219 178.5162 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 K 8.17 4.08 0.00 1.70 1.77 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 *9 D 8.28 4.06 0.00 2.66 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 10 D 7.88 4.44 0.00 2.74 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 Q 7.91 3.95 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 12 R 7.36 3.86 0.00 0.68 0.66 0.00 2.28 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.33 0.00 13 W 8.35 4.68 0.00 3.44 3.28 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 14 Q 8.33 3.75 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 15 S 7.89 4.11 0.00 4.35 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 16 V 7.63 3.61 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 0.25 0.00 0.00 1.16 0.00 0.00 17 L 7.03 3.40 0.00 1.18 1.38 0.53 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.71 4.09 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 19 R 8.13 4.50 0.00 1.86 1.99 0.00 3.11 0.00 0.00 3.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 20 D 7.97 4.46 0.00 2.70 2.54 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 0.00 0.00 0.00 0.00 21 P 0.00 5.11 0.00 2.20 2.07 0.00 3.92 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 22 N 8.66 4.32 0.00 2.95 2.88 0.00 0.00 6.96 6.89 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 23 A 7.86 4.19 1.16 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 24 D 7.73 4.45 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.87 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 26 E 7.75 4.09 0.00 2.03 2.14 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 2.42 2.40 0.00 27 F 7.07 5.24 0.00 3.21 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 28 V 9.44 5.02 2.32 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 1.15 0.00 0.00 1.25 0.00 0.00 29 F 9.18 5.52 0.00 2.82 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 30 A 8.97 4.77 0.13 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 31 V 8.22 4.80 2.17 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 1.04 0.00 0.00 1.12 0.00 0.00 32 R 8.96 4.63 0.00 1.99 2.23 0.00 3.16 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 33 T 8.27 4.18 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 1.26 0.00 0.00 34 T 7.77 4.43 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 1.27 0.00 0.00 35 G 9.02 4.14 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 0.00 36 I 7.93 5.84 1.90 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 0.96 1.99 0.87 0.00 0.00 37 F 8.11 5.46 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 *39 R 8.26 4.35 0.00 1.83 2.16 0.00 3.14 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 40 P 0.00 4.40 0.00 2.05 2.10 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.81 0.00 41 S 8.01 4.72 0.00 4.07 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 42 C 8.32 4.19 0.00 3.16 3.03 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 43 R 8.61 4.18 0.00 1.84 1.97 0.00 3.42 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 44 A 7.35 4.18 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 45 R 8.47 3.95 0.00 1.95 1.98 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 46 H 8.51 4.64 0.00 3.22 3.36 0.00 5.70 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 47 A 8.41 4.74 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 48 L 8.28 4.31 0.00 1.73 1.61 1.00 0.78 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 49 R 8.85 2.90 0.00 1.52 1.75 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.30 0.00 50 E 8.03 3.92 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 51 N 8.75 4.78 0.00 2.75 2.89 0.00 0.00 6.41 5.29 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 52 V 7.59 4.78 1.54 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 0.37 0.00 0.00 0.87 0.00 0.00 53 S 8.36 4.47 0.00 3.62 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 54 F 8.31 5.36 0.00 2.68 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 55 Y 9.22 4.84 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 9.09 4.12 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 57 N 7.90 4.52 0.00 2.82 2.83 0.00 0.00 5.98 7.26 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 58 A 8.80 3.88 1.58 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 59 S 7.47 4.07 0.00 3.76 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 60 E 8.31 4.07 0.00 2.08 2.14 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 2.38 2.60 0.00 61 A 8.23 3.06 -0.04 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 0.00 0.00 62 L 7.69 3.97 0.00 1.75 1.70 1.15 1.04 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 63 A 7.84 3.71 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 64 A 7.58 4.40 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 65 G 8.86 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 0.00 0.00 0.00 66 F 7.85 5.19 0.00 2.74 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.92 4.92 0.00 1.99 2.11 0.00 2.84 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 68 P 0.00 3.50 0.00 1.82 1.72 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 69 C 7.81 4.16 0.00 2.92 2.61 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 70 K 8.57 4.37 0.00 1.75 1.79 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 71 R 7.83 4.48 0.00 1.73 1.92 0.00 3.16 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 72 C 8.06 4.47 0.00 3.01 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 73 Q 7.40 3.13 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 74 P 0.00 4.68 0.00 2.10 2.11 0.00 3.54 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.54 0.00 75 D 7.94 4.67 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.23 4.43 0.00 1.84 1.62 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.24 7.81 77 A 8.35 4.26 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 *78 N 8.63 4.36 0.00 2.66 2.75 0.00 0.00 6.56 7.76 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 79 P 0.00 4.23 0.00 2.13 2.12 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 *80 R 7.65 3.41 0.00 1.66 1.76 0.00 3.28 0.00 0.00 3.09 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 81 Q 8.04 4.12 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 82 H 8.48 4.04 0.00 3.21 3.47 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.43 3.94 0.00 1.82 1.93 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 84 L 7.87 4.14 0.00 1.85 1.70 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.54 4.34 0.00 2.75 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 86 K 7.73 3.88 0.00 1.95 1.82 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.59 7.81 87 I 7.49 3.54 1.66 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 1.59 0.63 0.30 0.00 0.00 88 T 7.44 3.71 4.35 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 1.18 0.00 0.00 89 H 8.00 4.16 0.00 3.08 3.41 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.89 3.94 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 91 C 8.00 3.61 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.99 4.12 0.00 2.06 2.00 0.00 3.34 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 93 L 7.83 4.05 0.00 1.67 1.65 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.43 4.27 0.00 2.02 1.92 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.27 2.90 0.00 1.45 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 96 Q 6.19 4.11 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 7.05 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 97 E 9.20 4.32 0.00 2.10 2.17 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 2.62 2.38 0.00 98 T 7.86 3.94 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 99 P 0.00 4.52 0.00 2.20 2.12 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 100 V 8.45 4.30 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 0.79 0.00 0.00 0.93 0.00 0.00 101 T 8.20 4.20 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 1.20 0.00 0.00 102 L 8.51 3.85 0.00 1.70 1.70 0.98 0.73 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 0.00 103 E 8.08 3.89 0.00 2.06 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 2.36 2.37 0.00 104 A 7.79 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 0.00 105 L 8.28 3.75 0.00 1.74 1.76 0.82 0.60 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 0.00 106 A 8.67 4.03 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 0.00 107 D 8.05 4.33 0.00 2.77 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 0.00 108 Q 7.72 4.34 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.73 0.00 109 V 7.73 4.03 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 0.70 0.00 0.00 1.01 0.00 0.00 110 A 7.44 3.50 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 *112 S 7.98 4.30 0.00 4.17 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 0.00 113 P 0.00 4.25 0.00 2.30 2.39 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 114 F 8.16 4.13 0.00 3.03 3.04 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 0.00 115 H 8.20 3.83 0.00 3.38 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.93 3.90 0.00 1.76 1.65 0.97 0.67 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 0.00 117 H 8.04 3.98 0.00 3.31 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.73 3.80 0.00 1.45 1.61 0.00 2.97 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 119 L 8.22 3.90 0.00 1.76 1.82 0.87 0.78 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 0.00 120 F 8.56 3.75 0.00 3.13 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 0.00 121 K 8.15 4.34 0.00 1.90 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 122 A 7.41 4.10 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 0.00 123 T 7.97 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 124 T 7.74 4.13 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 -0.17 0.00 0.00 125 G 7.99 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 *127 T 7.77 4.12 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 128 P 0.00 2.97 0.00 1.79 1.39 0.00 3.28 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.44 0.00 129 K 7.94 3.83 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.61 7.81 130 A 7.82 4.22 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 0.00 131 W 8.59 4.16 0.00 3.87 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 0.00 132 Q 8.53 4.21 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 133 Q 8.34 4.07 0.00 2.37 2.17 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 2.43 2.71 0.00 134 A 8.77 3.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 W 7.90 3.88 0.00 3.13 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 0.00 136 R 8.08 3.70 0.00 2.10 1.99 0.00 3.37 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 137 A 8.22 3.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.01 4.09 0.00 1.94 1.70 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.