NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37P L 4.6537 8.2845 120.5875 54.8366 43.5586 176.8768 38P D 4.8483 8.7723 123.0652 49.5659 42.3950 172.3241 39P K 4.0153 9.1889 124.4495 56.7103 33.5947 175.8925 40P V 4.2896 8.1382 123.5572 62.0733 33.5988 176.7240 41P N 4.7274 8.6079 124.9060 50.2210 36.4166 173.2035 42P L 4.0453 8.4496 124.5829 56.5544 42.4578 179.2877 43P G 3.8982 8.4428 106.4806 46.6069 0.0000 174.4567 44P G 3.8083 8.4641 113.2838 47.7812 0.0000 175.5750 45P E 4.4415 9.1142 119.7555 55.6943 30.0714 176.6388 46P L 4.7662 7.9912 117.7980 55.6637 42.1093 176.6153 47P S 4.5618 8.1178 111.7500 58.5046 63.4399 174.7142 48P G 4.0340 7.7093 114.2660 46.2113 0.0000 175.8431 *49P S 4.7437 8.3813 121.3120 57.8867 63.9498 170.7064 50P N 4.7615 7.8384 118.3644 55.8745 39.4006 174.3767 51P M 5.0991 7.0296 116.4425 54.6822 35.3896 173.1998 52P Y 4.7958 9.4442 122.3588 56.1734 42.7187 174.4052 53P V 4.9320 8.1891 121.9033 61.3293 35.0805 173.5896 54P Y 5.1060 9.0281 124.4209 56.3084 41.6734 174.7832 55P N 4.9763 9.0603 121.7685 53.2166 40.4281 175.3618 *60P G 4.3699 8.1855 107.4333 47.9723 0.0000 171.1373 61P F 5.3554 8.1116 113.5709 56.3281 41.9388 173.2879 62P V 5.1335 9.2980 118.4334 61.4671 35.5121 173.7361 63P I 5.1056 9.2122 127.2565 59.7232 40.2175 174.8576 64P V 5.6477 9.1158 120.4280 58.4809 35.0935 175.9273 65P S 4.7195 8.8176 119.2238 57.3259 64.6853 173.6984 66P G 4.4010 7.7779 106.1063 45.1769 0.0000 174.1811 67P D 4.3691 7.7338 114.7832 53.2938 43.5042 175.8997 68P K 4.0753 8.4826 125.6171 58.1355 31.9740 178.2119 69P R 4.4409 8.0278 117.9327 56.0608 30.0157 176.1018 70P S 4.6618 7.4267 110.6442 55.6236 66.1188 172.0037 71P P 4.2316 0.0000 0.0000 63.9423 31.8223 176.9339 *72P E 4.1830 8.5916 118.2632 59.2467 30.4733 177.1079 73P I 4.5851 7.5240 122.8683 60.3475 37.5010 175.1722 74P L 4.1782 9.3403 128.8375 56.7940 42.4557 177.4191 75P G 4.5498 7.7380 103.6792 45.6030 0.0000 170.8261 76P Y 4.9609 7.7136 117.1891 56.6772 40.6087 172.9434 77P S 4.3709 7.9927 111.6474 57.9698 66.0515 175.9568 78P T 4.4341 8.7216 114.2408 61.6296 69.0715 174.3626 79P S 4.6034 7.5979 116.2936 57.6509 66.4458 175.6309 80P G 4.3501 8.7511 110.1526 45.1303 0.0000 171.6911 81P S 5.0437 8.4416 112.6437 56.8123 66.3441 172.2431 82P F 4.2888 8.9937 121.8867 56.4225 41.3289 173.5588 83P D 4.4399 6.6664 123.4724 54.0110 43.7986 175.4667 84P V 4.2562 7.7767 112.9947 60.7637 34.3556 174.8849 85P N 4.4638 8.6694 119.7269 54.3544 38.4332 175.6688 86P G 3.9176 8.9086 110.7230 45.8279 0.0000 174.0764 87P K 4.4629 7.4617 120.2339 53.5369 31.9083 176.1955 88P E 3.9862 8.3462 122.8032 59.4095 29.5616 178.3319 89P N 4.4066 8.0548 116.4176 55.6480 37.5459 177.4090 90P I 3.8561 7.6102 121.5939 64.1207 37.3720 177.8789 91P A 4.0539 7.9139 121.5943 55.1387 17.9268 179.6298 92P S 4.0227 8.0273 110.9075 61.4557 62.8919 175.8914 93P F 4.1990 7.8914 121.9399 61.5541 39.2148 177.0173 94P M 3.9474 8.2111 118.3071 58.4679 31.9235 178.6301 95P E 4.0394 8.5678 118.8299 59.2364 29.4501 179.5486 96P S 4.3145 7.6615 115.0710 61.2806 62.8916 176.1017 97P Y 4.4571 7.4395 119.1024 61.1419 37.7043 178.5091 98P V 3.5808 7.7285 118.8743 66.2731 31.4040 177.8936 99P E 3.9931 7.8326 116.4047 59.3541 29.5178 179.2356 100P Q 4.1322 8.2325 118.1905 59.1536 28.8937 178.7494 101P I 3.6986 8.2566 121.0465 64.4977 37.1782 178.7524 102P K 4.1203 8.3934 121.5695 59.9068 31.6357 179.8740 103P E 4.1129 8.1176 118.7788 60.7213 29.5464 182.0128 104P N 4.8060 8.0190 114.4084 54.8996 38.4369 177.1932 105P K 4.0835 7.6973 120.1133 58.7621 32.2679 178.4654 106P K 4.2616 7.6082 116.3935 57.1474 31.9951 176.9878 107P L 4.3137 7.4739 125.3027 54.7840 41.8503 176.1507 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 37P L 8.28 4.65 0.00 1.54 1.83 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38P D 8.77 4.85 0.00 2.31 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 39P K 9.19 4.02 0.00 1.09 1.70 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.40 7.81 40P V 8.14 4.29 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 0.76 0.00 0.00 1.02 0.00 0.00 41P N 8.61 4.73 0.00 2.78 2.62 0.00 0.00 6.75 7.79 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 42P L 8.45 4.05 0.00 1.77 1.79 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43P G 8.44 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44P G 8.46 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 0.00 0.00 0.00 45P E 9.11 4.44 0.00 1.99 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 2.16 1.88 0.00 46P L 7.99 4.77 0.00 1.57 1.65 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 47P S 8.12 4.56 0.00 3.95 3.79 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 48P G 7.71 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 0.00 0.00 0.00 *49P S 8.38 4.74 0.00 3.59 3.68 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 0.00 0.00 0.00 0.00 50P N 7.84 4.76 0.00 2.58 2.85 0.00 0.00 6.46 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 51P M 7.03 5.10 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 52P Y 9.44 4.80 0.00 3.07 2.78 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 0.00 0.00 0.00 0.00 53P V 8.19 4.93 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 0.92 0.00 0.00 0.78 0.00 0.00 54P Y 9.03 5.11 0.00 3.03 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 55P N 9.06 4.98 0.00 2.91 2.86 0.00 0.00 6.48 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60P G 8.19 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 61P F 8.11 5.36 0.00 3.32 3.41 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 62P V 9.30 5.13 2.22 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 1.02 0.00 0.00 0.98 0.00 0.00 63P I 9.21 5.11 2.02 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.14 0.88 0.00 0.00 64P V 9.12 5.65 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 0.79 0.00 0.00 1.12 0.00 0.00 65P S 8.82 4.72 0.00 3.87 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 66P G 7.78 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67P D 7.73 4.37 0.00 2.65 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 68P K 8.48 4.08 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.41 7.81 69P R 8.03 4.44 0.00 2.10 2.06 0.00 3.41 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 70P S 7.43 4.66 0.00 3.95 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 71P P 0.00 4.23 0.00 1.98 2.03 0.00 3.61 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 2.00 2.09 0.00 *72P E 8.59 4.18 0.00 1.66 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 2.31 1.91 0.00 73P I 7.52 4.59 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 1.31 1.20 0.95 0.00 0.00 74P L 9.34 4.18 0.00 1.34 1.13 0.56 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75P G 7.74 4.55 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 76P Y 7.71 4.96 0.00 2.90 2.89 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 77P S 7.99 4.37 0.00 3.25 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 78P T 8.72 4.43 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 1.27 0.00 0.00 79P S 7.60 4.60 0.00 4.01 3.96 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 80P G 8.75 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 81P S 8.44 5.04 0.00 4.17 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 82P F 8.99 4.29 0.00 1.51 2.60 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 83P D 6.67 4.44 0.00 2.49 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 0.00 0.00 0.00 0.00 84P V 7.78 4.26 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 0.67 0.00 0.00 0.93 0.00 0.00 85P N 8.67 4.46 0.00 2.72 2.73 0.00 0.00 6.91 7.98 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 86P G 8.91 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 0.00 0.00 0.00 87P K 7.46 4.46 0.00 1.70 1.63 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.47 7.81 88P E 8.35 3.99 0.00 1.98 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 2.39 2.37 0.00 89P N 8.05 4.41 0.00 2.87 3.04 0.00 0.00 6.31 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 90P I 7.61 3.86 1.86 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.77 0.00 0.00 91P A 7.91 4.05 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 92P S 8.03 4.02 0.00 4.00 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 93P F 7.89 4.20 0.00 3.22 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 94P M 8.21 3.95 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 3.19 0.00 95P E 8.57 4.04 0.00 2.19 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 2.32 2.35 0.00 96P S 7.66 4.31 0.00 3.70 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 97P Y 7.44 4.46 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98P V 7.73 3.58 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 1.02 0.00 0.00 0.93 0.00 0.00 99P E 7.83 3.99 0.00 2.15 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 2.34 2.62 0.00 100P Q 8.23 4.13 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 101P I 8.26 3.70 1.87 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 1.48 1.02 0.91 0.00 0.00 102P K 8.39 4.12 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 103P E 8.12 4.11 0.00 2.00 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 0.00 2.24 2.22 0.00 104P N 8.02 4.81 0.00 2.93 2.98 0.00 0.00 6.91 7.21 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 105P K 7.70 4.08 0.00 2.01 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.48 7.81 106P K 7.61 4.26 0.00 1.70 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.47 7.81 107P L 7.47 4.31 0.00 1.75 1.54 0.92 0.78 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 * Residues marked with a * may have inaccurate shift predictions.