NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3797 8.2649 122.4684 52.1375 19.3916 173.8236 2 M 4.3660 8.8948 120.0406 53.2352 34.3437 173.3282 3 K 5.3641 9.0632 124.6841 54.7264 36.3330 174.7107 4 A 5.3962 9.0880 124.2094 50.7953 23.3467 175.1287 5 V 5.1337 9.1778 117.6910 60.8133 35.6791 173.9446 6 C 4.8119 8.8857 121.4875 58.3784 35.3367 172.5492 7 V 4.6133 8.5482 126.3361 61.5185 33.4784 174.0664 8 L 5.0048 9.3184 128.4801 53.2410 43.5113 175.7016 9 K 4.8735 9.2677 123.6232 54.6725 36.1519 175.6567 10 G 4.8543 8.1411 108.0532 43.7875 0.0000 171.9029 11 D 4.7298 8.9722 117.8487 54.9430 41.1468 176.5264 12 G 4.4230 7.4789 109.4626 43.7304 0.0000 171.6397 13 P 4.3202 0.0000 0.0000 63.1053 31.6406 176.4060 14 V 4.3760 7.3831 119.4724 62.2052 31.3687 174.9289 15 Q 5.2820 7.8435 125.0120 54.0629 32.6791 173.9681 16 G 4.3421 7.4444 105.4034 46.5558 0.0000 170.8707 17 T 5.2590 7.7924 114.9375 61.6915 72.8134 173.5196 18 I 4.8539 8.8667 125.7219 59.9521 40.8523 174.2158 19 H 5.2896 9.3628 124.3739 54.3234 31.4706 173.9267 20 F 5.2997 9.4357 120.3594 55.7273 42.4065 173.8896 21 E 5.2267 9.1474 123.8348 54.5331 33.2993 173.7330 22 Q 4.8904 9.0201 127.4881 54.3391 31.4609 175.9050 23 K 3.9559 9.0641 128.0032 59.1199 32.8581 175.9101 24 A 4.5933 7.5779 119.0925 50.5596 22.0845 174.9789 25 S 4.2613 8.6071 115.4304 60.4487 63.0987 176.0267 26 G 3.9088 8.8021 110.1104 46.0658 0.0000 173.6503 27 E 4.2705 7.8085 118.9859 55.1062 30.2132 174.7581 28 P 4.6853 0.0000 0.0000 62.8137 32.6957 176.0179 29 V 4.5676 8.9359 122.3055 61.3749 33.8915 174.5219 30 V 4.6357 9.0228 128.4184 61.5826 33.4465 174.3294 31 L 5.0443 9.8668 129.0488 52.2791 43.8544 175.6385 32 S 5.7746 8.6486 117.8884 55.6602 67.0286 174.1475 33 G 3.5205 7.4375 105.8290 45.2560 0.0000 171.8890 34 Q 5.0073 7.9473 120.3703 55.3239 33.3778 174.6950 35 I 5.0511 8.3712 122.9813 59.7661 41.6266 174.7150 36 T 4.6876 9.0716 115.8323 59.4717 72.4263 173.5591 37 G 4.1429 8.4177 107.1770 46.7498 0.0000 173.5831 38 L 4.4818 7.6237 119.0163 52.8972 43.7619 176.3755 39 T 4.2822 8.0564 109.6934 60.5466 69.8281 174.2198 40 E 4.3441 7.9332 123.6868 56.7821 30.9044 177.8500 41 G 3.8617 8.4135 107.7897 45.1298 0.0000 172.2673 42 Q 5.2301 8.3530 119.0626 54.7229 31.4911 175.0707 43 H 5.0357 8.8070 117.2614 53.6649 33.5767 173.5224 44 G 3.9500 8.8567 108.6742 47.3414 0.0000 172.9133 45 F 5.0563 8.1141 122.2102 57.8425 41.6333 172.4449 46 H 5.2907 8.9511 122.1852 53.7938 34.1437 172.4413 47 V 4.5161 8.5229 120.2171 62.0555 32.5304 175.4778 48 H 4.8499 8.8704 125.9645 55.2048 30.2034 176.5178 49 Q 3.7842 8.6176 120.5490 58.7895 29.3826 175.6879 50 Y 4.5571 8.3079 117.0087 55.5563 40.3924 177.0351 51 G 4.3472 8.3098 114.3435 42.8507 0.0000 172.8597 52 D 4.5716 7.6514 116.4862 53.3392 43.7570 174.1360 53 N 5.7175 8.8708 123.6426 52.2259 39.4422 175.9701 54 T 3.9774 7.7927 111.1658 64.2839 68.9529 173.9746 55 Q 4.5878 7.8439 120.8016 55.1900 30.4326 176.3324 56 G 3.7039 7.9326 108.9922 46.9080 0.0000 176.5035 57 C 4.2893 8.7281 116.1186 60.1190 40.0992 175.4114 58 T 3.4841 8.0219 110.4342 64.9515 68.0137 175.3356 59 S 4.3866 7.8645 113.1153 58.6978 63.6244 175.4360 60 A 4.6004 8.0343 128.1890 57.6797 18.4905 175.1624 61 G 4.1716 8.4921 101.5724 43.5219 0.0000 171.2229 62 P 4.6151 0.0000 0.0000 62.1331 33.2839 175.6116 63 H 4.1552 8.6097 117.7159 55.7184 29.6843 174.5309 64 F 4.3326 9.2565 125.2976 58.5703 40.2074 175.3763 65 N 4.8032 8.0240 123.8678 52.4881 39.6532 173.0678 66 P 4.2941 0.0000 0.0000 64.6563 32.4054 177.4269 67 H 4.5217 7.7873 114.6709 55.4689 29.2624 176.5058 68 S 3.9012 8.1356 114.3625 58.7499 61.2566 173.3972 69 K 4.3294 7.2856 118.6549 56.2348 32.1708 174.3423 70 K 4.7812 7.9292 119.0293 56.1391 36.8985 174.5746 71 H 4.4182 8.6722 121.2061 55.8435 30.3040 174.0799 72 G 4.8532 7.4953 116.3038 43.8328 0.0000 170.6716 73 G 4.1011 9.3877 110.7276 43.6830 0.0000 173.0545 74 P 4.2626 0.0000 0.0000 65.6279 31.5016 178.3593 75 A 4.0978 8.1216 119.3968 55.0894 18.3400 177.5780 76 D 4.3980 7.3229 113.1189 54.7934 41.3674 178.4513 77 E 3.9333 8.8064 122.3726 58.2587 29.9055 176.4027 78 E 4.4612 7.2994 117.6136 54.7679 30.1217 174.6592 79 R 4.9934 7.6777 119.6023 56.3529 31.8021 174.0105 80 H 5.2019 8.3428 116.1803 55.2616 29.5675 176.3695 81 V 3.4742 8.7078 125.0343 65.2890 31.8124 177.5552 82 G 4.0800 8.1944 107.1229 47.0781 0.0000 173.0196 83 D 5.0643 8.6610 122.9007 51.9197 41.4790 175.7038 84 L 4.6740 8.1292 128.3790 54.7877 42.5731 180.3873 85 G 3.8827 8.8312 112.0640 46.6667 0.0000 176.0271 86 N 5.3321 8.9599 119.4051 52.1105 43.6389 173.0330 87 V 4.4465 8.1216 115.8852 62.3563 35.7969 173.0198 88 T 5.1089 8.4457 120.8367 61.7053 72.0217 172.5202 89 A 5.0376 9.1932 128.4329 50.2299 21.1861 177.9954 90 D 4.7893 9.0656 123.8808 53.0275 39.8615 177.2609 91 K 4.3334 8.6331 115.6260 59.1978 33.3216 176.6900 92 D 4.7378 8.1306 118.7775 54.3266 41.4468 177.8506 93 G 3.9397 8.1684 106.5286 45.0138 0.0000 173.9505 94 V 4.4497 8.1922 121.2301 62.2617 33.0278 174.7612 95 A 5.4232 9.0029 130.0393 48.6604 19.8315 174.2469 96 D 4.3980 8.5101 119.8680 54.8886 42.1749 176.0156 97 V 4.1553 8.6197 122.5175 61.1051 34.0585 174.2735 98 S 4.9343 8.4248 122.3365 56.6832 64.8792 173.1842 99 I 4.5207 8.7031 127.4694 60.1128 41.7137 173.5183 100 E 5.0543 8.6411 127.2945 54.0831 32.3455 174.5300 101 D 4.7926 8.3734 123.3651 53.5740 44.4137 175.6141 102 S 4.6874 8.8767 119.5374 58.7481 64.3293 175.6135 103 V 3.6544 8.0216 121.7196 65.8959 31.3392 176.2848 104 I 4.1665 7.7958 110.7355 61.0190 38.5404 173.6030 105 S 4.5659 7.9941 113.2029 58.3989 64.6873 174.6373 106 L 4.9476 8.7224 119.6481 53.9893 42.2065 176.3738 107 S 4.4473 8.3823 112.4545 58.4946 66.1870 175.5790 108 G 3.8464 8.4993 108.8849 44.9446 0.0000 173.6071 109 D 4.5940 8.7095 117.4318 56.3811 40.8583 176.5779 110 H 4.7588 8.0303 114.5491 55.0234 29.7361 172.5892 111 C 3.9291 8.0709 121.0482 60.1650 30.9943 172.9317 112 I 4.0527 8.4018 120.4293 60.6152 37.3986 175.6447 113 I 3.7447 7.3952 122.2651 62.5015 37.8389 176.0846 114 G 3.8258 9.2915 113.3454 45.1536 0.0000 172.2689 115 R 5.1181 7.3572 117.7541 54.4055 34.9177 173.8375 116 T 4.9944 7.8014 115.7451 62.0119 71.3254 173.6685 117 L 4.8677 8.6233 127.8737 53.4032 44.3404 175.1773 118 V 4.9723 8.6284 125.9422 60.9844 34.9254 174.4168 119 V 4.9197 8.1793 126.4326 60.5188 34.2270 174.3352 120 H 5.3267 8.5947 118.9582 54.0296 31.8398 174.0351 121 E 4.1712 9.0964 120.1595 59.3327 29.6477 176.8997 122 K 4.6778 8.9700 118.1682 53.8090 35.9477 175.0645 123 A 4.3674 8.3600 124.1649 51.8960 18.8163 177.1549 124 D 4.6468 8.7200 123.1397 54.5870 41.5565 175.8566 125 D 4.7348 8.9558 124.1829 52.4345 40.3380 176.9533 126 L 3.7099 10.0879 119.7815 55.6579 39.6077 172.9574 127 G 4.5042 8.0514 109.3056 47.0159 0.0000 173.5491 *131 N 4.5469 8.2964 121.6510 51.9728 38.1429 175.2612 132 E 4.0315 8.5524 117.4403 59.4676 29.7230 179.0304 133 E 3.9135 7.6072 119.7967 59.2605 29.6729 178.5843 134 S 4.2417 8.3703 112.8963 61.5310 62.5467 176.1060 135 T 4.0852 7.6480 114.4225 63.7738 66.7574 175.3237 136 K 4.3371 8.5062 117.3734 58.1783 34.7642 176.8644 137 T 4.1934 7.4577 110.6206 59.9517 68.8995 174.2038 138 G 4.4139 8.2980 107.8925 46.6668 0.0000 173.4583 139 N 4.3491 8.3056 112.9001 53.7839 36.3682 175.8208 140 A 4.2964 7.6023 122.0502 53.8508 19.6157 177.8645 141 G 4.2557 7.9274 100.9416 44.0319 0.0000 174.2822 142 S 4.4021 8.5908 118.3330 58.2223 64.6866 173.7843 143 R 4.2873 8.4219 120.9202 55.7290 29.8945 176.2702 144 L 4.3900 8.8597 125.3335 56.8768 43.1543 176.7569 145 A 5.0590 7.4487 118.2764 51.3774 22.9096 173.7482 146 C 5.6025 8.5669 113.1671 56.2458 46.7387 172.8485 147 G 4.8897 7.8129 102.7411 45.8976 0.0000 173.4373 148 V 4.1949 8.5421 122.5974 62.9530 32.8649 175.4200 149 I 4.2406 8.7218 126.9668 59.9716 38.3850 175.1072 150 G 4.3334 9.1757 115.5495 43.8861 0.0000 172.1568 151 I 4.1248 8.3630 122.3051 61.6696 37.3754 175.4670 152 A 4.8894 8.3414 128.9792 49.8142 21.6298 176.6094 153 Q 4.1093 8.4893 116.1529 56.4777 29.0143 176.0749 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 A 8.26 4.38 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 2 M 8.89 4.37 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 3 K 9.06 5.36 0.00 1.81 1.72 0.00 1.63 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 4 A 9.09 5.40 1.11 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 5 V 9.18 5.13 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 0.74 0.00 0.00 0.85 0.00 0.00 6 C 8.89 4.81 0.00 3.04 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 7 V 8.55 4.61 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 0.99 0.00 0.00 0.94 0.00 0.00 8 L 9.32 5.00 0.00 1.62 1.58 1.03 0.65 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 9 K 9.27 4.87 0.00 1.60 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.49 7.81 10 G 8.14 4.85 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 0.00 0.00 0.00 11 D 8.97 4.73 0.00 2.68 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 12 G 7.48 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 13 P 0.00 4.32 0.00 2.06 2.10 0.00 3.68 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 2.02 2.06 0.00 14 V 7.38 4.38 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 0.98 0.00 0.00 0.96 0.00 0.00 15 Q 7.84 5.28 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.21 0.00 16 G 7.44 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 17 T 7.79 5.26 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 1.19 0.00 0.00 18 I 8.87 4.85 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.75 0.63 0.00 0.00 19 H 9.36 5.29 0.00 3.01 3.23 0.00 5.55 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 20 F 9.44 5.30 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.15 5.23 0.00 2.06 1.76 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 2.23 2.37 0.00 22 Q 9.02 4.89 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 23 K 9.06 3.96 0.00 1.77 1.83 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 24 A 7.58 4.59 1.24 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 0.00 0.00 0.00 25 S 8.61 4.26 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.80 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.81 4.27 0.00 2.14 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 2.60 2.53 0.00 28 P 0.00 4.69 0.00 2.05 2.00 0.00 3.66 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 2.03 2.09 0.00 29 V 8.94 4.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.04 0.00 0.00 30 V 9.02 4.64 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 31 L 9.87 5.04 0.00 1.47 1.32 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.65 5.77 0.00 3.81 3.87 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 33 G 7.44 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.95 5.01 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 35 I 8.37 5.05 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.96 0.00 0.00 36 T 9.07 4.69 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 1.24 0.00 0.00 37 G 8.42 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 38 L 7.62 4.48 0.00 1.91 1.46 0.86 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.06 4.28 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 1.25 0.00 0.00 40 E 7.93 4.34 0.00 1.96 1.94 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 2.31 2.67 0.00 41 G 8.41 3.86 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 0.00 0.00 0.00 42 Q 8.35 5.23 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 43 H 8.81 5.04 0.00 3.08 3.48 0.00 5.63 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 44 G 8.86 3.95 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 0.00 0.00 0.00 45 F 8.11 5.06 0.00 3.14 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 46 H 8.95 5.29 0.00 3.13 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.52 4.52 2.21 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 1.04 0.00 0.00 1.02 0.00 0.00 48 H 8.87 4.85 0.00 3.16 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.62 3.78 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 1.35 2.11 0.00 50 Y 8.31 4.56 0.00 3.10 2.73 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 51 G 8.31 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 0.00 0.00 0.00 0.00 52 D 7.65 4.57 0.00 2.57 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 53 N 8.87 5.72 0.00 2.69 2.74 0.00 0.00 7.28 7.54 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 54 T 7.79 3.98 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 55 Q 7.84 4.59 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 56 G 7.93 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.73 4.29 0.00 2.94 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 58 T 8.02 3.48 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 1.20 0.00 0.00 59 S 7.86 4.39 0.00 4.16 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 60 A 8.03 4.60 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 61 G 8.49 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 62 P 0.00 4.62 0.00 2.19 2.18 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 63 H 8.61 4.16 0.00 3.07 3.37 0.00 5.74 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 64 F 9.26 4.33 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.02 4.80 0.00 2.70 2.47 0.00 0.00 7.20 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.29 0.00 1.69 1.90 0.00 2.95 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.60 0.00 67 H 7.79 4.52 0.00 3.14 3.27 0.00 5.72 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 68 S 8.14 3.90 0.00 4.03 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 69 K 7.29 4.33 0.00 1.88 2.12 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.46 7.81 70 K 7.93 4.78 0.00 1.68 1.82 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.37 7.81 71 H 8.67 4.42 0.00 3.30 3.36 0.00 5.72 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 72 G 7.50 4.85 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 0.00 0.00 0.00 73 G 9.39 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.26 0.00 2.06 2.14 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 75 A 8.12 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.32 4.40 0.00 2.90 2.63 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 77 E 8.81 3.93 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 78 E 7.30 4.46 0.00 2.07 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 2.21 2.25 0.00 79 R 7.68 4.99 0.00 1.83 1.87 0.00 3.02 0.00 0.00 3.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 80 H 8.34 5.20 0.00 3.19 3.47 0.00 5.96 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 81 V 8.71 3.47 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 0.75 0.00 0.00 0.57 0.00 0.00 82 G 8.19 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 0.00 0.00 0.00 0.00 83 D 8.66 5.06 0.00 2.81 2.50 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 84 L 8.13 4.67 0.00 2.06 1.83 1.20 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.83 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 86 N 8.96 5.33 0.00 2.55 2.72 0.00 0.00 6.51 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 87 V 8.12 4.45 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 0.74 0.00 0.00 0.36 0.00 0.00 88 T 8.45 5.11 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 1.22 0.00 0.00 89 A 9.19 5.04 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 90 D 9.07 4.79 0.00 2.87 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 91 K 8.63 4.33 0.00 1.89 2.09 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 92 D 8.13 4.74 0.00 2.68 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 93 G 8.17 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 0.00 0.00 0.00 0.00 94 V 8.19 4.45 2.26 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 0.95 0.00 0.00 0.96 0.00 0.00 95 A 9.00 5.42 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.51 4.40 0.00 2.54 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 97 V 8.62 4.16 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 0.70 0.00 0.00 0.67 0.00 0.00 98 S 8.42 4.93 0.00 3.80 3.62 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 99 I 8.70 4.52 1.74 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.39 0.89 0.00 0.00 100 E 8.64 5.05 0.00 1.94 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 2.20 2.11 0.00 101 D 8.37 4.79 0.00 2.85 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.88 4.69 0.00 4.01 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 0.00 103 V 8.02 3.65 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 0.85 0.00 0.00 0.95 0.00 0.00 104 I 7.80 4.17 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 1.17 0.00 0.00 105 S 7.99 4.57 0.00 3.88 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 0.00 106 L 8.72 4.95 0.00 1.67 1.62 1.03 0.63 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 0.00 107 S 8.38 4.45 0.00 3.97 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 0.00 108 G 8.50 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 0.00 0.00 0.00 109 D 8.71 4.59 0.00 2.75 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 0.00 110 H 8.03 4.76 0.00 3.12 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.07 3.93 0.00 3.00 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 0.00 112 I 8.40 4.05 1.79 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 1.16 0.00 0.00 113 I 7.40 3.74 1.80 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 1.20 0.40 0.84 0.00 0.00 114 G 9.29 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 0.00 0.00 0.00 115 R 7.36 5.12 0.00 1.60 1.70 0.00 2.21 0.00 0.00 2.67 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.24 0.00 116 T 7.80 4.99 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 1.16 0.00 0.00 117 L 8.62 4.87 0.00 1.77 1.52 0.85 0.85 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 0.00 118 V 8.63 4.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.66 0.00 0.00 119 V 8.18 4.92 2.21 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 0.77 0.00 0.00 1.08 0.00 0.00 120 H 8.59 5.33 0.00 3.16 3.35 0.00 5.66 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 0.00 121 E 9.10 4.17 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 122 K 8.97 4.68 0.00 1.78 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 123 A 8.36 4.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.72 4.65 0.00 2.79 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.96 4.73 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 10.09 3.71 0.00 1.86 1.80 0.93 1.18 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 0.00 127 G 8.05 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 *131 N 8.30 4.55 0.00 2.99 3.02 0.00 0.00 6.20 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 0.00 132 E 8.55 4.03 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 133 E 7.61 3.91 0.00 2.11 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 2.30 2.34 0.00 134 S 8.37 4.24 0.00 4.23 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 0.00 135 T 7.65 4.09 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 1.34 0.00 0.00 136 K 8.51 4.34 0.00 1.81 1.87 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.52 7.81 137 T 7.46 4.19 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 1.23 0.00 0.00 138 G 8.30 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 0.00 0.00 0.00 0.00 139 N 8.31 4.35 0.00 2.85 2.90 0.00 0.00 7.06 7.35 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 0.00 140 A 7.60 4.30 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 0.00 141 G 7.93 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 0.00 0.00 0.00 0.00 142 S 8.59 4.40 0.00 3.93 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 0.00 143 R 8.42 4.29 0.00 1.65 1.78 0.00 3.17 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 144 L 8.86 4.39 0.00 1.67 1.70 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.45 5.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 8.57 5.60 0.00 2.90 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 0.00 147 G 7.81 4.89 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 0.00 148 V 8.54 4.19 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 0.78 0.00 0.00 0.90 0.00 0.00 149 I 8.72 4.24 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.41 0.32 0.00 0.00 150 G 9.18 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.36 4.12 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 8.34 4.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.49 4.11 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.