#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c6r s ASP 3 N 0.00 6.88 0.39 0.00 -1.08 -1.26 -4.82 116.67 116.78 1c6r s ASP 3 Ca 0.00 -2.55 0.12 0.00 -0.52 0.00 0.00 52.55 49.60 1c6r s ASP 3 Cb 0.00 -2.45 0.81 0.00 -1.46 0.00 0.00 42.92 39.81 1c6r s ASP 3 CO 0.00 -0.96 1.89 -0.07 0.52 0.00 0.00 175.17 176.55 1c6r h LEU 4 N 10.69 0.07 -0.31 -1.34 3.38 -1.98 -1.56 115.31 124.26 1c6r h LEU 4 Ca 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1c6r h LEU 4 Cb 0.92 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1c6r h LEU 4 CO 1.27 0.33 0.15 0.00 0.09 0.00 0.00 178.44 180.29 1c6r h ALA 5 N 1.67 0.41 -0.28 1.53 0.00 -1.95 0.28 119.26 120.92 1c6r h ALA 5 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1c6r h ALA 5 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1c6r h ALA 5 CO 0.04 -0.04 0.09 1.25 0.00 0.00 0.00 179.25 180.59 1c6r h LEU 6 N 0.37 0.40 -0.63 0.00 5.85 -1.89 -2.69 115.31 116.73 1c6r h LEU 6 Ca 0.11 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1c6r h LEU 6 Cb 0.11 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1c6r h LEU 6 CO -0.01 0.50 0.25 1.23 -0.34 0.00 0.00 178.44 180.07 1c6r h GLY 7 N 0.29 0.89 0.92 3.75 0.00 -0.94 0.42 103.07 108.41 1c6r h GLY 7 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1c6r h GLY 7 CO -0.00 -0.00 0.10 1.70 0.00 0.00 0.00 176.54 178.33 1c6r h LYS 8 N 0.45 0.28 -0.27 4.80 3.64 -0.78 0.06 116.57 124.75 1c6r h LYS 8 Ca 0.31 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1c6r h LYS 8 Cb 0.37 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1c6r h LYS 8 CO -0.30 0.29 -0.25 1.96 -2.27 0.00 0.00 179.45 178.89 1c6r h GLN 9 N 0.19 0.52 -0.74 1.90 1.08 -1.13 -1.00 115.11 115.93 1c6r h GLN 9 Ca 0.07 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1c6r h GLN 9 Cb 0.11 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1c6r h GLN 9 CO -0.01 0.73 0.26 1.15 -0.95 0.00 0.00 178.83 180.01 1c6r h THR 10 N 0.46 1.25 0.23 -0.54 2.02 -0.73 -1.14 112.91 114.46 1c6r h THR 10 Ca 0.07 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1c6r h THR 10 Cb 0.68 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1c6r h THR 10 CO 0.05 0.34 -0.11 0.15 0.37 0.00 0.00 175.52 176.32 1c6r h PHE 11 N 1.08 -0.28 -0.88 3.16 3.57 -0.35 -0.55 116.94 122.69 1c6r h PHE 11 Ca 0.24 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1c6r h PHE 11 Cb 0.25 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 1c6r h PHE 11 CO 0.02 -0.04 0.57 0.93 -2.23 0.00 0.00 178.31 177.56 1c6r h GLU 12 N -0.49 1.07 -0.20 1.11 4.39 -1.09 0.20 114.58 119.57 1c6r h GLU 12 Ca -0.03 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 1c6r h GLU 12 Cb 0.37 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1c6r h GLU 12 CO 0.05 0.71 -0.53 0.00 -1.16 0.00 0.00 179.01 178.08 1c6r h ALA 13 N 1.36 0.71 0.00 3.43 0.00 -1.13 -3.36 119.26 120.28 1c6r h ALA 13 Ca 0.35 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1c6r h ALA 13 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1c6r h ALA 13 CO -0.12 0.68 -1.48 0.09 0.00 0.00 0.00 179.25 178.42 1c6r n ASN 14 N -3.97 3.26 -0.00 0.00 4.13 -0.22 -4.84 115.26 113.61 1c6r n ASN 14 Ca -0.03 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.28 1c6r n ASN 14 Cb 0.59 0.68 -0.07 0.00 -1.54 0.00 0.00 39.78 39.45 1c6r n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c6r h ALA 16 N 1.33 1.55 -0.07 0.00 0.00 -1.59 -0.25 119.26 120.22 1c6r h ALA 16 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1c6r h ALA 16 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1c6r h ALA 16 CO 0.00 0.06 -0.35 0.00 0.00 0.00 0.00 179.25 178.96 1c6r h ALA 17 N 1.95 1.28 0.00 0.00 0.00 -1.87 -1.05 119.26 119.57 1c6r h ALA 17 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1c6r h ALA 17 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1c6r h ALA 17 CO 0.01 0.51 -1.87 0.00 0.00 0.00 0.00 179.25 177.90 1c6r n HIS 19 N -2.21 0.83 -1.76 0.00 8.25 -0.13 -1.33 115.22 118.87 1c6r n HIS 19 Ca -0.08 -1.52 -0.41 0.00 -0.26 0.00 0.00 57.72 55.45 1c6r n HIS 19 Cb 0.57 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 1c6r n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c6r n ALA 20 N -0.54 2.44 -1.04 -1.41 0.00 -0.40 -0.97 120.51 118.58 1c6r n ALA 20 Ca 0.20 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.98 1c6r n ALA 20 Cb 0.89 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 1c6r n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c6r n GLY 21 N 1.23 0.39 2.17 0.00 0.00 -1.26 -2.35 105.19 105.37 1c6r n GLY 21 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1c6r n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6r n GLY 22 N -1.25 0.70 0.00 -0.02 0.00 -0.15 -4.86 105.19 99.61 1c6r n GLY 22 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1c6r n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c6r n ASN 23 N 0.88 0.00 -3.35 1.61 3.02 -0.99 -0.36 115.26 116.08 1c6r n ASN 23 Ca -0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.46 1c6r n ASN 23 Cb 0.16 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1c6r n ASN 23 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1c6r s ASN 24 N -1.00 -0.41 0.33 6.41 3.84 -1.25 -4.26 114.94 118.60 1c6r s ASN 24 Ca 0.00 0.61 0.25 0.00 0.21 0.00 0.00 52.86 53.93 1c6r s ASN 24 Cb 0.00 1.54 0.66 0.00 -0.55 0.00 0.00 41.25 42.90 1c6r s ASN 24 CO 0.00 -0.27 1.72 0.77 -2.79 0.00 0.00 177.10 176.52 1c6r h SER 25 N 8.11 0.00 0.00 -4.21 4.64 -1.51 -2.93 113.55 117.66 1c6r h SER 25 Ca -0.20 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.88 1c6r h SER 25 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1c6r h SER 25 CO 0.24 0.00 -1.34 0.52 -0.87 0.00 0.00 176.83 175.38 1c6r n VAL 26 N -2.66 1.52 -3.74 0.95 0.31 -1.26 -4.70 118.33 108.75 1c6r n VAL 26 Ca 0.04 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1c6r n VAL 26 Cb 0.45 -2.06 -0.13 0.00 -0.91 0.00 0.00 33.84 31.20 1c6r n VAL 26 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1c6r s ILE 27 N -2.38 1.70 0.42 2.52 1.01 -1.26 -5.04 121.20 118.18 1c6r s ILE 27 Ca -0.29 -2.97 0.31 0.00 0.00 0.00 0.00 60.65 57.71 1c6r s ILE 27 Cb 0.07 -2.17 0.48 0.00 0.01 0.00 0.00 42.46 40.85 1c6r s ILE 27 CO 0.54 -0.94 1.46 -2.65 0.00 0.00 0.00 174.94 173.35 1c6r n PRO 28 N 3.13 -0.03 0.05 2.79 -0.02 -1.10 -1.45 135.00 138.37 1c6r n PRO 28 Ca 0.12 1.16 0.13 0.00 -2.02 0.00 0.00 63.50 62.89 1c6r n PRO 28 Cb 0.36 -2.31 0.30 0.00 -0.02 0.00 0.00 33.50 31.83 1c6r n PRO 28 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1c6r n ASP 29 N -4.53 0.58 -3.43 2.55 5.75 -1.26 -4.33 116.55 111.88 1c6r n ASP 29 Ca 0.38 0.20 -0.39 0.00 -0.01 0.00 0.00 54.79 54.97 1c6r n ASP 29 Cb 1.49 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 41.45 1c6r n ASP 29 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1c6r n HIS 30 N -1.93 2.54 -1.63 2.11 8.25 -0.53 -4.91 115.22 119.13 1c6r n HIS 30 Ca 0.05 -2.81 -0.30 0.00 -0.26 0.00 0.00 57.72 54.39 1c6r n HIS 30 Cb 0.40 -1.87 0.21 0.00 1.12 0.00 0.00 29.99 29.85 1c6r n HIS 30 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1c6r s THR 31 N -0.92 1.85 -0.33 1.59 -4.23 -1.26 -4.65 115.64 107.69 1c6r s THR 31 Ca 0.56 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.18 1c6r s THR 31 Cb 0.19 -2.82 0.73 0.00 1.34 0.00 0.00 72.50 71.94 1c6r s THR 31 CO -0.10 0.00 1.69 0.18 -0.54 0.00 0.00 174.62 175.85 1c6r n LEU 32 N -4.15 5.57 -4.83 4.79 4.77 0.52 -4.32 117.00 119.35 1c6r n LEU 32 Ca 0.15 -2.86 -0.33 0.00 -0.03 0.00 0.00 56.01 52.94 1c6r n LEU 32 Cb 0.59 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1c6r n LEU 32 CO 0.45 0.68 0.56 -0.13 -1.33 0.00 0.00 177.39 177.61 1c6r s ARG 33 N -2.70 4.14 0.16 3.23 0.52 -1.26 -4.52 118.95 118.52 1c6r s ARG 33 Ca 0.50 0.94 -0.21 0.00 -0.52 0.00 0.00 55.73 56.45 1c6r s ARG 33 Cb 0.39 -2.27 0.07 0.00 0.52 0.00 0.00 34.95 33.66 1c6r s ARG 33 CO 0.14 0.04 1.62 -0.22 0.02 0.00 0.00 175.30 176.89 1c6r h LYS 34 N 2.02 -0.19 -0.65 3.54 3.64 -1.92 -1.77 116.57 121.24 1c6r h LYS 34 Ca -0.49 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1c6r h LYS 34 Cb 1.18 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1c6r h LYS 34 CO 0.63 -0.13 0.34 0.00 -2.27 0.00 0.00 179.45 178.02 1c6r h ALA 35 N 0.93 1.39 -0.37 5.00 0.00 -1.94 -1.98 119.26 122.30 1c6r h ALA 35 Ca 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1c6r h ALA 35 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1c6r h ALA 35 CO -0.47 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.21 1c6r h ALA 36 N 1.47 0.50 -0.24 0.00 0.00 -1.70 -2.89 119.26 116.41 1c6r h ALA 36 Ca 0.23 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1c6r h ALA 36 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1c6r h ALA 36 CO -0.04 0.34 -0.09 0.52 0.00 0.00 0.00 179.25 179.98 1c6r h MET 37 N 0.49 0.39 -0.15 0.00 2.07 -1.03 0.10 114.93 116.80 1c6r h MET 37 Ca 0.09 -0.09 -0.02 0.00 -2.07 0.00 0.00 59.70 57.62 1c6r h MET 37 Cb 0.57 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.24 1c6r h MET 37 CO 0.03 0.49 0.02 0.93 1.07 0.00 0.00 176.91 179.45 1c6r h GLU 38 N 0.37 0.21 0.02 1.72 5.08 -1.16 -0.02 114.58 120.80 1c6r h GLU 38 Ca 0.07 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 1c6r h GLU 38 Cb 0.40 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1c6r h GLU 38 CO 0.02 0.22 -1.18 1.96 -1.00 0.00 0.00 179.01 179.03 1c6r h GLN 39 N 0.21 0.05 0.00 2.33 4.20 -1.23 -3.43 115.11 117.24 1c6r h GLN 39 Ca 0.05 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1c6r h GLN 39 Cb 0.12 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1c6r h GLN 39 CO -0.00 1.04 -1.32 1.19 -0.67 0.00 0.00 178.83 179.07 1c6r n PHE 40 N -4.32 0.06 -3.17 2.96 3.72 0.29 -4.93 117.46 112.08 1c6r n PHE 40 Ca -0.28 0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 56.74 1c6r n PHE 40 Cb 0.71 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.93 1c6r n PHE 40 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1c6r s LEU 41 N -3.70 4.17 0.05 4.37 2.96 -0.03 -5.00 118.68 121.50 1c6r s LEU 41 Ca 0.02 0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 54.43 1c6r s LEU 41 Cb 0.15 -2.83 -0.09 0.00 0.50 0.00 0.00 46.19 43.92 1c6r s LEU 41 CO 0.86 -0.21 1.96 -1.58 -1.32 0.00 0.00 176.35 176.06 1c6r s GLN 42 N 1.65 4.14 0.00 1.98 0.74 -1.26 -1.17 119.66 125.74 1c6r s GLN 42 Ca 0.27 2.62 0.00 0.00 0.05 0.00 0.00 55.36 58.31 1c6r s GLN 42 Cb -0.16 -4.09 0.00 0.00 1.10 0.00 0.00 33.01 29.86 1c6r s GLN 42 CO 0.11 -0.94 0.00 0.41 -0.55 0.00 0.00 175.29 174.31 1c6r n GLY 43 N 4.51 0.18 3.43 2.59 0.00 -1.26 -4.75 105.19 109.89 1c6r n GLY 43 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1c6r n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6r n GLY 44 N -1.81 -2.21 3.48 -0.02 0.00 -0.31 -4.75 105.19 99.57 1c6r n GLY 44 Ca 0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 1c6r n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c6r s PHE 45 N -0.23 2.87 0.16 1.61 5.36 -1.26 -4.72 117.98 121.76 1c6r s PHE 45 Ca 0.00 -1.05 -0.23 0.00 -0.96 0.00 0.00 56.93 54.68 1c6r s PHE 45 Cb 0.00 -4.38 0.07 0.00 -0.34 0.00 0.00 43.02 38.36 1c6r s PHE 45 CO 0.00 -1.64 0.64 0.54 -1.46 0.00 0.00 175.22 173.31 1c6r s ASN 46 N 3.93 -0.51 0.26 6.13 2.20 -1.26 -5.05 114.94 120.63 1c6r s ASN 46 Ca 0.33 -0.07 -0.04 0.00 -0.94 0.00 0.00 52.86 52.15 1c6r s ASN 46 Cb -0.06 0.59 0.34 0.00 -2.00 0.00 0.00 41.25 40.12 1c6r s ASN 46 CO -0.05 -0.97 1.90 -0.07 -2.94 0.00 0.00 177.10 174.97 1c6r h LEU 47 N 2.00 1.07 -0.53 3.54 3.38 -1.94 -2.41 115.31 120.42 1c6r h LEU 47 Ca -0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1c6r h LEU 47 Cb 1.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1c6r h LEU 47 CO 0.36 0.72 0.25 -0.33 0.09 0.00 0.00 178.44 179.53 1c6r h GLU 48 N 1.24 0.77 -0.41 1.13 3.07 -1.97 -0.43 114.58 117.98 1c6r h GLU 48 Ca 0.40 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1c6r h GLU 48 Cb 0.04 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 1c6r h GLU 48 CO -0.14 0.64 0.11 0.00 -1.40 0.00 0.00 179.01 178.23 1c6r h ALA 49 N 1.09 0.54 0.10 3.43 0.00 -1.76 -1.64 119.26 121.02 1c6r h ALA 49 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c6r h ALA 49 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1c6r h ALA 49 CO -0.02 0.20 -0.05 0.82 0.00 0.00 0.00 179.25 180.20 1c6r h ILE 50 N 0.52 0.95 -0.61 0.00 2.04 -1.28 -2.62 117.51 116.51 1c6r h ILE 50 Ca 0.13 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1c6r h ILE 50 Cb 0.29 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1c6r h ILE 50 CO -0.00 0.04 0.34 0.74 0.00 0.00 0.00 178.15 179.27 1c6r h THR 51 N -0.21 1.01 -0.25 -0.27 2.02 -1.01 -1.52 112.91 112.68 1c6r h THR 51 Ca -0.01 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 66.99 1c6r h THR 51 Cb 0.17 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 1c6r h THR 51 CO 0.02 0.12 -0.09 0.22 0.37 0.00 0.00 175.52 176.16 1c6r h TYR 52 N 0.66 -0.21 -0.34 3.16 3.20 -1.16 -0.68 116.97 121.60 1c6r h TYR 52 Ca 0.26 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 1c6r h TYR 52 Cb 0.11 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1c6r h TYR 52 CO -0.07 -0.15 -0.14 0.37 -1.64 0.00 0.00 178.16 176.53 1c6r h GLN 53 N -0.04 0.59 -0.43 1.82 4.15 -1.05 0.25 115.11 120.40 1c6r h GLN 53 Ca 0.13 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1c6r h GLN 53 Cb 0.24 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1c6r h GLN 53 CO -0.28 0.72 -0.14 0.28 -1.93 0.00 0.00 178.83 177.47 1c6r h VAL 54 N 0.54 1.27 0.44 2.39 2.07 -0.62 0.17 116.25 122.51 1c6r h VAL 54 Ca 0.09 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1c6r h VAL 54 Cb 0.56 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1c6r h VAL 54 CO 0.04 0.43 -0.21 -0.33 0.02 0.00 0.00 177.57 177.51 1c6r h GLU 55 N 0.68 -0.57 0.00 1.57 4.39 -1.02 0.20 114.58 119.84 1c6r h GLU 55 Ca 0.10 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1c6r h GLU 55 Cb 0.69 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1c6r h GLU 55 CO 0.05 -0.26 -0.96 -0.91 -1.16 0.00 0.00 179.01 175.77 1c6r h ASN 56 N -0.91 0.00 -4.13 1.42 2.35 -1.00 -2.64 115.58 110.66 1c6r h ASN 56 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1c6r h ASN 56 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1c6r h ASN 56 CO 0.10 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1c6r n GLY 57 N 1.18 -1.54 3.15 2.83 0.00 0.60 -4.53 105.19 106.88 1c6r n GLY 57 Ca -0.00 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.50 1c6r n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c6r s LYS 58 N -2.07 0.38 7.99 1.61 2.36 0.61 -4.84 119.74 125.77 1c6r s LYS 58 Ca 0.00 0.54 0.00 0.00 -2.55 0.00 0.00 55.97 53.96 1c6r s LYS 58 Cb 0.00 0.28 0.00 0.00 -1.05 0.00 0.00 37.83 37.06 1c6r s LYS 58 CO 0.00 -0.55 0.00 0.41 1.55 0.00 0.00 175.35 176.76 1c6r n GLY 59 N 5.38 4.36 0.00 5.54 0.00 -1.26 -0.63 105.19 118.57 1c6r n GLY 59 Ca 0.01 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1c6r n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c6r n ALA 60 N 12.91 2.31 -2.57 4.61 0.00 -1.26 -4.58 120.51 131.93 1c6r n ALA 60 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1c6r n ALA 60 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 1c6r n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1c6r s MET 61 N -2.47 3.63 0.89 0.00 0.00 0.19 -5.05 119.30 116.50 1c6r s MET 61 Ca 0.27 0.14 -0.11 0.00 0.00 0.00 0.00 55.69 55.99 1c6r s MET 61 Cb 0.17 -3.85 0.12 0.00 0.00 0.00 0.00 34.83 31.28 1c6r s MET 61 CO 0.37 -0.92 1.10 -2.14 0.00 0.00 0.00 175.02 173.43 1c6r s PRO 62 N 3.11 1.32 -0.12 4.11 0.02 -1.26 -0.29 135.00 141.89 1c6r s PRO 62 Ca 0.30 1.11 -0.12 0.00 0.02 0.00 0.00 61.00 62.30 1c6r s PRO 62 Cb -0.13 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1c6r s PRO 62 CO 0.18 -2.28 0.28 0.00 -0.33 0.00 0.00 177.00 174.85 1c6r s ALA 63 N -2.81 3.68 -2.01 -1.55 0.00 -1.26 -4.10 121.76 113.70 1c6r s ALA 63 Ca 0.64 -0.45 0.16 0.00 0.00 0.00 0.00 51.96 52.31 1c6r s ALA 63 Cb -0.19 -2.29 0.15 0.00 0.00 0.00 0.00 23.12 20.78 1c6r s ALA 63 CO 0.58 0.29 1.04 0.91 0.00 0.00 0.00 175.76 178.58 1c6r n TRP 64 N 2.86 0.04 0.25 0.00 7.02 0.06 -4.51 117.44 123.16 1c6r n TRP 64 Ca -0.14 -0.03 0.13 0.00 -1.02 0.00 0.00 57.50 56.44 1c6r n TRP 64 Cb 0.53 -0.00 0.79 0.00 -2.42 0.00 0.00 31.31 30.21 1c6r n TRP 64 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1c6r h SER 65 N 3.21 0.00 -0.78 -0.99 4.64 -1.62 0.15 113.55 118.16 1c6r h SER 65 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1c6r h SER 65 Cb 0.69 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.60 1c6r h SER 65 CO 0.00 0.00 0.36 0.61 -0.87 0.00 0.00 176.83 176.93 1c6r n GLY 66 N -1.43 4.06 0.63 -0.77 0.00 -1.26 -4.44 105.19 101.98 1c6r n GLY 66 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1c6r n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c6r n THR 67 N -0.58 0.00 -4.36 2.61 -1.04 -0.54 -5.09 114.28 105.28 1c6r n THR 67 Ca 0.46 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.16 1c6r n THR 67 Cb 1.44 -0.15 -0.10 0.00 -1.82 0.00 0.00 70.33 69.70 1c6r n THR 67 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1c6r s LEU 68 N -3.63 3.16 0.77 -4.42 1.43 -0.07 -5.13 118.68 110.78 1c6r s LEU 68 Ca 0.00 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1c6r s LEU 68 Cb 0.00 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.47 1c6r s LEU 68 CO 0.00 0.24 1.08 1.51 0.23 0.00 0.00 176.35 179.41 1c6r s ASP 69 N -1.74 4.23 0.18 2.29 1.47 -1.26 -4.55 116.67 117.28 1c6r s ASP 69 Ca 0.19 0.09 -0.13 0.00 1.18 0.00 0.00 52.55 53.88 1c6r s ASP 69 Cb -0.11 -0.50 0.15 0.00 -0.34 0.00 0.00 42.92 42.12 1c6r s ASP 69 CO 0.11 -1.97 1.75 0.44 0.68 0.00 0.00 175.17 176.18 1c6r h ASP 70 N -0.81 0.16 0.09 2.11 3.32 -1.98 -0.73 116.42 118.58 1c6r h ASP 70 Ca -0.41 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 1c6r h ASP 70 Cb 1.28 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1c6r h ASP 70 CO 0.47 0.12 -0.20 -2.24 -1.72 0.00 0.00 179.24 175.67 1c6r h ASP 71 N 0.33 0.21 -0.20 6.45 3.04 -2.00 -1.61 116.42 122.64 1c6r h ASP 71 Ca 0.22 -0.05 -0.20 0.00 -3.24 0.00 0.00 57.03 53.76 1c6r h ASP 71 Cb 0.23 -0.05 0.01 0.00 -1.04 0.00 0.00 39.33 38.48 1c6r h ASP 71 CO -0.23 0.42 -0.67 -0.33 -2.04 0.00 0.00 179.24 176.39 1c6r h GLU 72 N 0.20 0.81 -0.30 4.15 5.08 -1.81 -2.18 114.58 120.52 1c6r h GLU 72 Ca 0.04 -0.60 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 1c6r h GLU 72 Cb 0.47 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1c6r h GLU 72 CO 0.03 1.22 -0.02 0.82 -1.00 0.00 0.00 179.01 180.06 1c6r h ILE 73 N 0.56 1.26 -0.32 3.13 2.04 -1.05 -1.63 117.51 121.51 1c6r h ILE 73 Ca -0.03 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.88 1c6r h ILE 73 Cb 1.29 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1c6r h ILE 73 CO 0.14 0.32 0.11 0.00 0.00 0.00 0.00 178.15 178.72 1c6r h ALA 74 N 0.83 0.36 -0.21 1.87 0.00 -1.31 -0.91 119.26 119.88 1c6r h ALA 74 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1c6r h ALA 74 Cb 0.47 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1c6r h ALA 74 CO 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.00 1c6r h ALA 75 N 1.20 0.20 -0.36 0.00 0.00 -1.25 -1.51 119.26 117.54 1c6r h ALA 75 Ca 0.14 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1c6r h ALA 75 Cb 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1c6r h ALA 75 CO -0.15 -0.41 -0.20 -0.24 0.00 0.00 0.00 179.25 178.25 1c6r h VAL 76 N 0.10 1.27 -0.53 0.00 3.04 -1.10 -1.90 116.25 117.12 1c6r h VAL 76 Ca 0.10 -1.28 -0.04 0.00 -1.01 0.00 0.00 66.70 64.48 1c6r h VAL 76 Cb 0.11 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 1c6r h VAL 76 CO -0.15 0.42 0.19 0.00 -1.01 0.00 0.00 177.57 177.03 1c6r h ALA 77 N 1.16 0.69 -0.68 3.17 0.00 -0.91 -1.74 119.26 120.95 1c6r h ALA 77 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1c6r h ALA 77 Cb 0.68 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1c6r h ALA 77 CO 0.05 0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.89 1c6r h ALA 78 N 1.05 0.89 -0.08 0.00 0.00 -1.11 -1.45 119.26 118.55 1c6r h ALA 78 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1c6r h ALA 78 Cb 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1c6r h ALA 78 CO -0.01 0.51 0.05 -0.92 0.00 0.00 0.00 179.25 178.88 1c6r h TYR 79 N 0.97 0.10 -0.43 0.00 3.20 -1.10 0.26 116.97 119.98 1c6r h TYR 79 Ca 0.23 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1c6r h TYR 79 Cb 0.21 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1c6r h TYR 79 CO 0.01 0.06 0.23 0.28 -1.64 0.00 0.00 178.16 177.10 1c6r h VAL 80 N 0.10 0.99 -0.10 1.81 2.07 -1.14 0.38 116.25 120.37 1c6r h VAL 80 Ca 0.03 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1c6r h VAL 80 Cb -0.01 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1c6r h VAL 80 CO -0.01 0.08 0.07 0.22 0.02 0.00 0.00 177.57 177.95 1c6r h TYR 81 N 0.45 0.13 -0.48 1.57 5.03 -1.03 -1.49 116.97 121.15 1c6r h TYR 81 Ca 0.18 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.53 1c6r h TYR 81 Cb 0.07 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.26 1c6r h TYR 81 CO -0.09 0.08 0.25 0.22 -1.32 0.00 0.00 178.16 177.29 1c6r h ASP 82 N 0.14 0.36 -0.59 -2.11 3.58 -0.50 -0.28 116.42 117.02 1c6r h ASP 82 Ca 0.04 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1c6r h ASP 82 Cb -0.02 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1c6r h ASP 82 CO -0.01 0.25 0.38 1.56 -2.88 0.00 0.00 179.24 178.54 1c6r h GLN 83 N 0.48 0.78 -0.10 0.28 1.08 -0.73 -1.76 115.11 115.14 1c6r h GLN 83 Ca 0.21 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1c6r h GLN 83 Cb 0.11 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1c6r h GLN 83 CO -0.14 0.53 -0.07 0.00 -0.95 0.00 0.00 178.83 178.19 1c6r h ALA 84 N 1.21 0.14 0.00 3.87 0.00 -0.93 0.32 119.26 123.88 1c6r h ALA 84 Ca 0.22 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1c6r h ALA 84 Cb -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1c6r h ALA 84 CO -0.04 -0.05 -0.38 0.66 0.00 0.00 0.00 179.25 179.44 1c6r h SER 85 N -0.16 0.00 -0.32 0.00 4.64 -1.00 -2.51 113.55 114.20 1c6r h SER 85 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1c6r h SER 85 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1c6r h SER 85 CO 0.02 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 1c6r n GLY 86 N -0.15 1.57 3.74 -0.77 0.00 -0.67 -4.99 105.19 103.93 1c6r n GLY 86 Ca -0.01 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1c6r n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c6r n ASP 87 N 1.25 -5.09 -1.18 1.61 -0.08 -0.12 -4.91 116.55 108.03 1c6r n ASP 87 Ca 0.16 -0.91 0.09 0.00 -1.51 0.00 0.00 54.79 52.63 1c6r n ASP 87 Cb 0.54 -2.07 0.28 0.00 2.34 0.00 0.00 41.12 42.21 1c6r n ASP 87 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1c6r n LYS 88 N -2.78 3.06 0.00 -0.67 5.02 0.95 -5.02 118.16 118.73 1c6r n LYS 88 Ca -0.27 -2.56 0.15 0.00 -2.02 0.00 0.00 58.31 53.61 1c6r n LYS 88 Cb 0.66 -1.59 0.67 0.00 -0.02 0.00 0.00 35.03 34.75 1c6r n LYS 88 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79