NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1936 7.9133 120.6315 62.3954 33.4927 174.4348 3 W 4.2453 8.9555 128.6084 55.4445 28.6749 173.8465 4 L 4.8045 9.5054 128.6349 53.9204 42.9785 175.7829 5 N 4.5427 9.9160 126.4518 53.4077 36.5339 175.9086 6 G 4.1302 8.8678 104.4079 45.4992 0.0000 173.5265 7 E 4.6685 8.0593 120.5010 53.2344 31.3551 173.7704 8 P 3.6912 0.0000 0.0000 62.6385 31.5961 175.8799 9 R 4.6165 8.0449 121.0075 53.8819 33.5983 172.6750 10 P 4.6124 0.0000 0.0000 63.3012 31.8726 178.2847 11 L 3.9578 7.9022 120.2467 57.5978 42.0462 176.6557 12 E 4.1040 7.1932 119.9160 58.3232 29.4868 176.3118 13 G 4.0841 8.7494 115.2428 45.5947 0.0000 173.8381 14 K 4.4947 8.4702 119.7581 55.5859 33.7707 175.9216 15 T 4.6911 8.3135 111.6032 60.2940 71.9867 175.9053 16 L 4.0056 8.2299 120.8093 57.8993 41.5285 179.6931 17 K 3.8903 8.0088 117.8523 59.6040 31.8715 178.6677 18 E 3.9137 7.8642 117.5505 59.9801 29.7763 179.5426 19 V 3.6703 7.8674 117.9436 65.7724 31.6192 177.7082 20 L 3.9714 8.5725 118.7741 58.1903 41.4715 179.5505 21 E 4.0773 8.6818 117.7529 58.5927 29.5812 178.0474 22 E 4.2608 7.8574 118.7794 56.0173 30.7184 176.8858 *24 G 3.7683 8.0278 102.5668 45.3007 0.0000 173.8511 25 V 4.3676 7.5425 117.4346 60.1136 34.2341 174.6027 26 E 4.0716 8.6807 127.8146 56.2654 30.3829 176.4386 27 L 3.9805 8.5604 126.7048 57.6993 42.0560 177.0078 28 K 4.1853 7.8572 123.4213 59.4589 31.6750 174.9692 29 G 3.4544 8.0169 120.1223 45.1258 0.0000 172.1965 30 V 4.7715 7.8530 113.8161 59.3588 35.9459 174.3212 31 A 5.1360 9.0919 123.3900 50.1972 22.2722 175.3773 32 V 4.4452 9.5875 122.9660 61.1232 34.1211 174.4129 33 L 4.7391 8.6056 129.2472 53.8097 43.1313 175.6976 34 L 4.9843 8.7047 126.8721 53.0645 43.6414 175.8546 35 N 4.2697 9.6103 126.7575 54.3012 36.4712 175.3144 36 E 3.7281 8.5813 115.0737 56.0515 28.5275 172.5994 37 E 4.3752 7.6969 118.8735 54.6284 31.2096 174.5497 38 A 4.8450 8.0904 129.0602 51.1467 20.1545 176.1705 39 F 5.0326 8.8660 118.7327 55.5497 43.9355 174.8614 40 L 4.2580 8.8239 121.4441 54.2954 42.1256 178.2230 41 G 3.9784 9.1962 111.7668 49.1745 0.0000 175.9688 42 L 4.1770 7.9479 118.0126 56.0056 41.7209 177.6073 43 E 4.6389 8.2647 118.2102 55.9450 29.9395 176.6159 44 V 3.5003 7.1686 111.2346 60.1098 32.2385 174.7877 45 P 4.2289 0.0000 0.0000 62.7496 31.6594 176.7132 46 D 4.4482 8.3792 120.1092 55.5502 41.3532 177.1175 47 R 3.8319 7.9177 118.8051 56.3157 30.2890 174.0486 48 P 4.6649 0.0000 0.0000 62.3425 32.3270 176.2174 49 L 4.5805 9.3395 123.5334 55.0065 43.0540 176.3177 50 R 4.9477 10.2950 118.0350 54.1157 33.5486 173.9498 51 D 4.4849 8.9148 119.3012 56.1701 41.4306 175.7484 52 G 4.2742 9.2975 114.4020 45.9238 0.0000 173.9473 53 D 4.7181 8.3944 119.7354 54.7641 42.3072 176.0232 54 V 4.8525 9.0458 122.3516 61.1717 34.3163 174.2030 55 V 4.9894 9.5931 128.8858 61.1840 34.4259 173.8856 56 E 4.8724 8.9944 127.7952 54.7356 31.8452 175.7504 57 V 4.3430 9.7110 127.4944 62.1066 31.0784 175.4596 58 V 4.5948 8.3436 120.4650 59.6924 35.2235 174.0690 59 A 4.7476 7.9738 121.9505 51.1547 21.9775 176.1856 60 L 4.0241 8.3787 119.2777 54.9936 42.3210 177.9716 *62 Q 4.0862 8.2247 118.6069 56.3225 28.6847 174.8827 63 G 3.9032 8.2101 114.3260 45.3276 0.0000 171.6865 64 G 3.7112 8.7962 107.4729 45.3136 0.0000 174.0761 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 V 7.91 4.19 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 1.06 0.00 0.00 0.98 0.00 0.00 3 W 8.96 4.25 0.00 3.51 3.27 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 4 L 9.51 4.80 0.00 1.73 1.54 1.01 0.41 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 5 N 9.92 4.54 0.00 2.84 2.91 0.00 0.00 7.04 7.53 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 6 G 8.87 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 0.00 0.00 0.00 7 E 8.06 4.67 0.00 2.09 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 0.00 2.27 2.37 0.00 8 P 0.00 3.69 0.00 1.63 0.61 0.00 3.60 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 9 R 8.04 4.62 0.00 1.67 1.73 0.00 3.12 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 10 P 0.00 4.61 0.00 2.18 2.21 0.00 3.63 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 2.02 1.93 0.00 11 L 7.90 3.96 0.00 1.72 1.74 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.19 4.10 0.00 2.10 1.90 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 2.33 2.36 0.00 13 G 8.75 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 14 K 8.47 4.49 0.00 1.93 1.72 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 15 T 8.31 4.69 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 1.26 0.00 0.00 16 L 8.23 4.01 0.00 1.69 1.77 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.01 3.89 0.00 1.82 1.84 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.59 7.81 18 E 7.86 3.91 0.00 2.10 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 0.00 2.35 2.33 0.00 19 V 7.87 3.67 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 1.04 0.00 0.00 1.03 0.00 0.00 20 L 8.57 3.97 0.00 1.89 1.73 0.94 0.89 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 21 E 8.68 4.08 0.00 1.92 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 0.00 2.32 2.31 0.00 22 E 7.86 4.26 0.00 2.28 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 0.00 2.32 2.32 0.00 *24 G 8.03 3.77 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 0.00 0.00 0.00 25 V 7.54 4.37 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 0.81 0.00 0.00 0.94 0.00 0.00 26 E 8.68 4.07 0.00 1.95 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 2.30 2.40 0.00 27 L 8.56 3.98 0.00 1.75 1.69 0.92 0.80 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 28 K 7.86 4.19 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 29 G 8.02 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 4.77 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 1.05 0.00 0.00 31 A 9.09 5.14 1.20 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 0.00 0.00 0.00 32 V 9.59 4.45 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 1.07 0.00 0.00 0.99 0.00 0.00 33 L 8.61 4.74 0.00 1.83 1.58 0.91 0.26 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 34 L 8.70 4.98 0.00 1.92 1.77 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 N 9.61 4.27 0.00 2.96 2.91 0.00 0.00 6.99 7.11 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 36 E 8.58 3.73 0.00 2.07 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 0.00 2.13 2.30 0.00 37 E 7.70 4.38 0.00 1.98 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 2.11 1.47 0.00 38 A 8.09 4.85 1.10 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 39 F 8.87 5.03 0.00 2.95 2.94 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 40 L 8.82 4.26 0.00 1.77 1.62 0.95 0.87 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 41 G 9.20 3.98 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 0.00 0.00 0.00 42 L 7.95 4.18 0.00 1.66 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.26 4.64 0.00 2.07 1.97 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 2.25 2.26 0.00 44 V 7.17 3.50 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 0.79 0.00 0.00 0.94 0.00 0.00 45 P 0.00 4.23 0.00 1.90 1.80 0.00 3.36 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.31 0.00 46 D 8.38 4.45 0.00 2.63 2.68 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 47 R 7.92 3.83 0.00 1.74 1.85 0.00 3.25 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 48 P 0.00 4.66 0.00 1.97 2.12 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 49 L 9.34 4.58 0.00 1.61 1.59 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 R 10.30 4.95 0.00 1.68 1.97 0.00 2.81 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 51 D 8.91 4.48 0.00 2.99 2.68 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 52 G 9.30 4.27 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 0.00 53 D 8.39 4.72 0.00 2.75 2.68 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 54 V 9.05 4.85 2.11 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 0.98 0.00 0.00 0.96 0.00 0.00 55 V 9.59 4.99 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 0.98 0.00 0.00 0.99 0.00 0.00 56 E 8.99 4.87 0.00 1.93 1.86 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 2.24 2.37 0.00 57 V 9.71 4.34 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 0.76 0.00 0.00 1.00 0.00 0.00 58 V 8.34 4.59 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 0.69 0.00 0.00 1.00 0.00 0.00 59 A 7.97 4.75 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 60 L 8.38 4.02 0.00 1.65 1.62 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *62 Q 8.22 4.09 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 63 G 8.21 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 64 G 8.80 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 * Residues marked with a * may have inaccurate shift predictions.