#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3g s ASP 23 N 0.00 6.48 0.17 4.52 1.11 -1.26 -4.91 116.67 122.78 1k3g s ASP 23 Ca 0.00 0.07 -0.23 0.00 0.18 0.00 0.00 52.55 52.57 1k3g s ASP 23 Cb 0.00 -2.48 0.07 0.00 1.07 0.00 0.00 42.92 41.58 1k3g s ASP 23 CO 0.00 -1.18 1.58 0.00 1.18 0.00 0.00 175.17 176.75 1k3g h ALA 24 N 9.22 -0.20 -0.42 5.23 0.00 -1.90 0.22 119.26 131.41 1k3g h ALA 24 Ca -0.24 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1k3g h ALA 24 Cb 1.07 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 1k3g h ALA 24 CO 1.08 -0.75 0.19 0.93 0.00 0.00 0.00 179.25 180.70 1k3g h GLU 25 N -0.23 0.38 -0.21 0.00 5.08 -1.92 0.35 114.58 118.04 1k3g h GLU 25 Ca 0.19 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1k3g h GLU 25 Cb 0.56 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1k3g h GLU 25 CO -0.63 0.25 0.07 0.00 -1.00 0.00 0.00 179.01 177.70 1k3g h ALA 26 N 1.24 0.23 0.34 3.43 0.00 -1.73 0.19 119.26 122.96 1k3g h ALA 26 Ca 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1k3g h ALA 26 Cb 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1k3g h ALA 26 CO -0.15 -0.36 -0.33 0.28 0.00 0.00 0.00 179.25 178.70 1k3g h VAL 27 N 0.16 0.31 -0.33 0.00 2.07 -0.48 -2.66 116.25 115.32 1k3g h VAL 27 Ca 0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1k3g h VAL 27 Cb 0.06 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1k3g h VAL 27 CO -0.10 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.00 1k3g h VAL 28 N -0.70 0.68 0.00 2.57 2.07 -0.63 0.14 116.25 120.38 1k3g h VAL 28 Ca -0.02 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1k3g h VAL 28 Cb 0.63 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1k3g h VAL 28 CO -0.06 0.00 0.37 1.56 0.02 0.00 0.00 177.57 179.46 1k3g h GLN 29 N 0.01 0.00 -0.58 1.57 1.08 -0.47 0.95 115.11 117.67 1k3g h GLN 29 Ca 0.16 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.08 1k3g h GLN 29 Cb 0.24 0.00 -0.38 0.00 -0.05 0.00 0.00 27.48 27.29 1k3g h GLN 29 CO -0.33 0.00 -1.08 0.94 -0.95 0.00 0.00 178.83 177.41 1k3g n GLN 30 N -2.44 1.50 0.00 1.46 -0.06 0.30 -4.77 117.38 113.37 1k3g n GLN 30 Ca -0.01 -3.25 0.00 0.00 -2.00 0.00 0.00 57.00 51.74 1k3g n GLN 30 Cb 0.40 -1.33 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1k3g n LYS 31 N -0.47 0.00 -0.13 3.69 4.01 -0.11 -4.98 118.16 120.17 1k3g n LYS 31 Ca 0.06 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.58 1k3g n LYS 31 Cb 0.81 -0.17 -0.10 0.00 -0.51 0.00 0.00 35.03 35.06 1k3g n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k3g h ILE 33 N -0.95 0.71 -1.15 0.00 -0.00 -1.59 0.17 117.51 114.70 1k3g h ILE 33 Ca -0.64 0.00 0.42 0.00 -0.00 0.00 0.00 64.86 64.64 1k3g h ILE 33 Cb 1.58 0.78 -0.13 0.00 -0.00 0.00 0.00 36.82 39.04 1k3g h ILE 33 CO -0.37 0.00 0.72 -1.20 -0.00 0.00 0.00 178.15 177.29 1k3g n SER 34 N -4.28 0.22 -0.00 2.16 7.64 -1.26 -0.12 113.62 117.97 1k3g n SER 34 Ca 0.07 1.30 -0.00 0.00 1.01 0.00 0.00 58.87 61.24 1k3g n SER 34 Cb 0.51 -0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1k3g n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k3g n HIS 36 N -2.54 0.00 0.00 0.00 8.25 -0.11 -0.41 115.22 120.42 1k3g n HIS 36 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1k3g n HIS 36 Cb 0.51 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1k3g n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k3g n GLY 37 N 0.48 -1.39 0.33 -1.41 0.00 0.82 -0.60 105.19 103.43 1k3g n GLY 37 Ca 0.06 -1.44 0.25 0.00 0.00 0.00 0.00 46.02 44.90 1k3g n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k3g h GLY 38 N 0.00 1.91 -0.22 -0.02 0.00 -1.95 0.84 103.07 103.62 1k3g h GLY 38 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1k3g h GLY 38 CO 0.00 -0.69 -0.50 1.22 0.00 0.00 0.00 176.54 176.57 1k3g n ASP 39 N -5.33 1.38 -0.76 0.19 9.92 -1.26 -4.93 116.55 115.76 1k3g n ASP 39 Ca 0.32 -1.09 -0.10 0.00 -0.53 0.00 0.00 54.79 53.39 1k3g n ASP 39 Cb 1.08 0.44 -0.04 0.00 -0.64 0.00 0.00 41.12 41.96 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1k3g n LEU 40 N -0.63 -0.68 -0.05 0.64 4.77 0.29 -4.79 117.00 116.54 1k3g n LEU 40 Ca 0.09 0.25 0.15 0.00 -0.03 0.00 0.00 56.01 56.46 1k3g n LEU 40 Cb 0.39 -1.72 0.70 0.00 -2.33 0.00 0.00 43.42 40.46 1k3g n LEU 40 CO 0.31 -0.57 0.96 0.35 -1.33 0.00 0.00 177.39 177.11 1k3g n THR 41 N -2.66 0.00 0.00 -5.08 -2.24 -1.14 -1.66 114.28 101.49 1k3g n THR 41 Ca -0.10 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1k3g n THR 41 Cb 0.35 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1k3g n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3g n GLY 42 N 1.26 -0.04 1.40 3.38 0.00 0.24 -4.31 105.19 107.13 1k3g n GLY 42 Ca 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1k3g n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3g n ALA 43 N 0.49 0.66 0.93 4.61 0.00 -1.18 -4.59 120.51 121.44 1k3g n ALA 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1k3g n ALA 43 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1k3g n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k3g n SER 44 N -2.05 2.86 -3.83 0.00 2.88 0.45 -4.99 113.62 108.94 1k3g n SER 44 Ca 0.00 -1.93 -0.09 0.00 -1.33 0.00 0.00 58.87 55.52 1k3g n SER 44 Cb 0.00 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 1k3g n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k3g s ALA 45 N -1.89 -0.83 0.79 -1.46 0.00 -1.15 -4.96 121.76 112.26 1k3g s ALA 45 Ca 0.32 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 1k3g s ALA 45 Cb 0.21 0.91 0.06 0.00 0.00 0.00 0.00 23.12 24.30 1k3g s ALA 45 CO 0.31 -0.87 1.09 -1.25 0.00 0.00 0.00 175.76 175.04 1k3g s PRO 46 N -3.92 2.15 -0.16 0.00 0.04 -1.26 -4.30 135.00 127.54 1k3g s PRO 46 Ca 0.13 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1k3g s PRO 46 Cb -0.02 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1k3g s PRO 46 CO 0.02 -1.69 1.28 0.00 0.04 0.00 0.00 177.00 176.65 1k3g s ALA 47 N -2.93 3.66 -2.18 8.56 0.00 -1.26 -4.34 121.76 123.27 1k3g s ALA 47 Ca 0.61 0.48 0.18 0.00 0.00 0.00 0.00 51.96 53.23 1k3g s ALA 47 Cb -0.17 -3.63 0.17 0.00 0.00 0.00 0.00 23.12 19.50 1k3g s ALA 47 CO 0.56 -1.19 1.10 0.44 0.00 0.00 0.00 175.76 176.67 1k3g n ILE 48 N 5.38 0.08 -0.24 0.00 -5.35 -0.82 -4.53 119.36 113.88 1k3g n ILE 48 Ca 0.14 -0.54 0.11 0.00 -0.27 0.00 0.00 62.75 62.19 1k3g n ILE 48 Cb 0.45 1.30 0.21 0.00 -1.74 0.00 0.00 39.64 39.86 1k3g n ILE 48 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1k3g n ASP 49 N 1.02 -0.07 -1.75 7.28 2.03 -0.66 -0.32 116.55 124.07 1k3g n ASP 49 Ca 0.11 1.20 -0.18 0.00 0.52 0.00 0.00 54.79 56.44 1k3g n ASP 49 Cb 0.46 -0.44 0.12 0.00 -0.72 0.00 0.00 41.12 40.53 1k3g n ASP 49 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1k3g n LYS 50 N -4.95 2.59 -0.09 -0.67 2.85 -1.26 -4.01 118.16 112.61 1k3g n LYS 50 Ca 0.17 -3.51 -0.10 0.00 -1.05 0.00 0.00 58.31 53.82 1k3g n LYS 50 Cb 0.56 -2.09 -0.03 0.00 -0.65 0.00 0.00 35.03 32.83 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k3g h ALA 51 N 1.59 0.38 -0.88 0.58 0.00 -0.90 -3.13 119.26 116.90 1k3g h ALA 51 Ca 0.38 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.40 1k3g h ALA 51 Cb 1.50 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1k3g h ALA 51 CO 0.82 -0.03 0.60 0.78 0.00 0.00 0.00 179.25 181.42 1k3g h GLY 52 N 0.33 0.49 1.42 0.00 0.00 -1.40 0.33 103.07 104.24 1k3g h GLY 52 Ca 0.10 -0.10 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1k3g h GLY 52 CO -0.01 -0.01 -0.73 0.00 0.00 0.00 0.00 176.54 175.79 1k3g h ALA 53 N 1.60 0.49 0.03 3.60 0.00 -1.69 -3.34 119.26 119.95 1k3g h ALA 53 Ca 0.44 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1k3g h ALA 53 Cb 1.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1k3g h ALA 53 CO -0.10 0.72 -0.01 -0.91 0.00 0.00 0.00 179.25 178.95 1k3g h ASN 54 N 0.40 -0.03 -3.77 0.00 2.35 -0.46 -3.46 115.58 110.61 1k3g h ASN 54 Ca -0.03 -0.62 -0.30 0.00 -0.55 0.00 0.00 56.30 54.79 1k3g h ASN 54 Cb 1.32 0.01 -0.29 0.00 0.05 0.00 0.00 38.32 39.41 1k3g h ASN 54 CO 0.14 0.63 -0.74 -0.31 -1.65 0.00 0.00 177.43 175.49 1k3g s TYR 55 N -3.47 0.29 0.93 1.19 2.02 0.36 -5.12 117.35 113.55 1k3g s TYR 55 Ca -0.16 -0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 1k3g s TYR 55 Cb -0.00 -0.23 0.15 0.00 -0.40 0.00 0.00 41.96 41.49 1k3g s TYR 55 CO 0.64 -0.03 1.17 -1.12 -1.57 0.00 0.00 175.55 174.65 1k3g s SER 56 N 0.13 3.38 0.27 2.29 0.01 -1.26 -3.83 113.70 114.68 1k3g s SER 56 Ca -0.01 0.79 -0.01 0.00 1.31 0.00 0.00 55.95 58.03 1k3g s SER 56 Cb -0.04 -1.23 0.57 0.00 0.21 0.00 0.00 66.02 65.53 1k3g s SER 56 CO -0.00 -2.61 1.73 1.05 0.41 0.00 0.00 173.24 173.81 1k3g h GLU 57 N -1.54 0.47 -0.90 12.44 9.09 -1.90 0.15 114.58 132.39 1k3g h GLU 57 Ca -0.48 -0.03 0.08 0.00 0.05 0.00 0.00 59.36 58.98 1k3g h GLU 57 Cb 1.31 -0.11 -0.07 0.00 -1.65 0.00 0.00 28.75 28.24 1k3g h GLU 57 CO 0.56 0.31 0.55 1.49 0.05 0.00 0.00 179.01 181.97 1k3g h GLU 58 N 0.48 0.93 0.07 1.06 4.81 -1.92 0.22 114.58 120.23 1k3g h GLU 58 Ca 0.48 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1k3g h GLU 58 Cb 0.78 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.96 1k3g h GLU 58 CO -0.43 0.61 -0.39 0.93 -0.73 0.00 0.00 179.01 179.00 1k3g h GLU 59 N 0.96 0.14 -0.60 1.92 5.08 -1.16 -2.45 114.58 118.48 1k3g h GLU 59 Ca 0.41 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1k3g h GLU 59 Cb 0.28 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1k3g h GLU 59 CO -0.21 1.12 0.30 0.82 -1.00 0.00 0.00 179.01 180.04 1k3g h ILE 60 N -0.70 0.92 -0.30 3.13 2.04 -0.74 -0.71 117.51 121.16 1k3g h ILE 60 Ca -0.07 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1k3g h ILE 60 Cb 1.31 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1k3g h ILE 60 CO 0.07 0.10 -0.03 0.25 0.00 0.00 0.00 178.15 178.55 1k3g h LEU 61 N 0.56 -0.18 -0.52 1.44 5.85 -0.59 0.11 115.31 121.98 1k3g h LEU 61 Ca 0.27 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.14 1k3g h LEU 61 Cb 0.21 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1k3g h LEU 61 CO -0.20 -0.06 0.19 -0.78 -0.34 0.00 0.00 178.44 177.26 1k3g h ASP 62 N 0.05 0.19 0.06 1.25 3.58 -0.79 0.20 116.42 120.96 1k3g h ASP 62 Ca 0.15 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1k3g h ASP 62 Cb 0.21 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1k3g h ASP 62 CO -0.27 0.14 -0.08 0.40 -2.88 0.00 0.00 179.24 176.55 1k3g h ILE 63 N 0.37 1.08 0.01 2.25 2.04 -0.08 0.36 117.51 123.54 1k3g h ILE 63 Ca 0.25 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1k3g h ILE 63 Cb 0.27 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1k3g h ILE 63 CO -0.25 0.10 -0.00 0.40 0.00 0.00 0.00 178.15 178.40 1k3g h ILE 64 N 0.04 1.49 0.00 -0.67 2.04 0.48 -2.47 117.51 118.42 1k3g h ILE 64 Ca 0.01 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1k3g h ILE 64 Cb 0.17 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1k3g h ILE 64 CO 0.01 0.39 -0.08 -0.07 0.00 0.00 0.00 178.15 178.40 1k3g h LEU 65 N -0.67 0.00 -2.22 1.44 3.38 -0.02 0.13 115.31 117.35 1k3g h LEU 65 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k3g h LEU 65 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1k3g h LEU 65 CO 0.00 0.08 -0.14 0.59 0.09 0.00 0.00 178.44 179.06 1k3g n ASN 66 N -4.22 1.03 0.00 -0.43 3.02 0.06 -2.89 115.26 111.82 1k3g n ASN 66 Ca -0.03 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1k3g n ASN 66 Cb 0.16 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1k3g n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3g n GLY 67 N -0.47 1.14 0.00 7.41 0.00 -0.93 -4.67 105.19 107.66 1k3g n GLY 67 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1k3g n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k3g n GLN 68 N 11.24 0.00 0.00 1.61 7.27 -0.88 -4.53 117.38 132.08 1k3g n GLN 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1k3g n GLN 68 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1k3g n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k3g n GLY 69 N -0.62 1.12 0.21 1.69 0.00 -1.26 0.33 105.19 106.65 1k3g n GLY 69 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.39 1k3g n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k3g h GLY 70 N 0.00 0.01 -5.03 -0.02 0.00 -2.02 -3.43 103.07 92.58 1k3g h GLY 70 Ca 0.00 -0.01 -0.54 0.00 0.00 0.00 0.00 47.33 46.78 1k3g h GLY 70 CO 0.00 0.01 1.02 -0.29 0.00 0.00 0.00 176.54 177.28 1k3g s MET 71 N -4.42 4.20 0.04 4.80 0.00 0.15 -4.95 119.30 119.12 1k3g s MET 71 Ca -0.03 2.29 -0.28 0.00 0.00 0.00 0.00 55.69 57.67 1k3g s MET 71 Cb 0.15 -3.71 -0.17 0.00 0.00 0.00 0.00 34.83 31.10 1k3g s MET 71 CO 0.71 -0.76 1.41 -1.00 0.00 0.00 0.00 175.02 175.39 1k3g h PRO 72 N 8.66 -0.58 0.00 4.11 0.13 -1.84 -2.35 132.00 140.14 1k3g h PRO 72 Ca -0.42 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1k3g h PRO 72 Cb 1.20 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1k3g h PRO 72 CO 0.93 -0.30 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1k3g n GLY 73 N -0.84 3.12 2.35 1.56 0.00 -1.26 -4.39 105.19 105.73 1k3g n GLY 73 Ca -0.11 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1k3g n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3g n GLY 74 N -0.22 1.02 0.27 -0.02 0.00 0.46 -4.67 105.19 102.02 1k3g n GLY 74 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1k3g n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k3g h ILE 75 N 0.00 0.41 -2.20 -0.61 2.04 -1.88 -3.40 117.51 111.87 1k3g h ILE 75 Ca -0.28 0.00 -0.52 0.00 1.00 0.00 0.00 64.86 65.06 1k3g h ILE 75 Cb 0.95 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1k3g h ILE 75 CO 0.39 0.00 -0.56 0.00 0.00 0.00 0.00 178.15 177.98 1k3g s ALA 76 N -6.09 3.47 0.29 1.87 0.00 -1.26 -5.06 121.76 114.98 1k3g s ALA 76 Ca -0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 1k3g s ALA 76 Cb 0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1k3g s ALA 76 CO 0.68 0.26 0.37 0.15 0.00 0.00 0.00 175.76 177.21 1k3g s LYS 77 N -3.80 1.65 2.68 0.00 1.02 -1.26 -4.52 119.74 115.51 1k3g s LYS 77 Ca 0.32 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.66 1k3g s LYS 77 Cb -0.07 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1k3g s LYS 77 CO 0.24 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 1k3g n GLY 78 N -0.47 1.04 0.40 -3.33 0.00 -1.26 -1.88 105.19 99.69 1k3g n GLY 78 Ca 0.02 -0.58 0.21 0.00 0.00 0.00 0.00 46.02 45.66 1k3g n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3g h ALA 79 N -0.66 2.16 -0.08 4.61 0.00 -2.00 0.86 119.26 124.16 1k3g h ALA 79 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 79 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1k3g h ALA 79 CO 0.00 -0.55 -0.20 1.49 0.00 0.00 0.00 179.25 179.99 1k3g h GLU 80 N 0.44 -0.18 -0.37 0.00 4.81 -1.86 0.87 114.58 118.29 1k3g h GLU 80 Ca 0.58 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.80 1k3g h GLU 80 Cb 1.39 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1k3g h GLU 80 CO -0.29 -0.12 0.16 0.00 -0.73 0.00 0.00 179.01 178.02 1k3g h ALA 81 N -0.97 0.48 -0.04 2.92 0.00 -0.28 -2.01 119.26 119.36 1k3g h ALA 81 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1k3g h ALA 81 Cb 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1k3g h ALA 81 CO -0.17 0.07 -0.20 0.93 0.00 0.00 0.00 179.25 179.88 1k3g h GLU 82 N 0.46 -0.28 -0.11 0.00 5.08 -0.82 0.85 114.58 119.75 1k3g h GLU 82 Ca 0.12 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1k3g h GLU 82 Cb 0.17 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1k3g h GLU 82 CO -0.01 -0.19 -0.04 0.00 -1.00 0.00 0.00 179.01 177.77 1k3g h ALA 83 N 0.64 0.06 -0.01 3.43 0.00 -0.77 0.63 119.26 123.24 1k3g h ALA 83 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 83 Cb 0.39 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1k3g h ALA 83 CO -0.21 -0.50 -0.47 0.28 0.00 0.00 0.00 179.25 178.35 1k3g h VAL 84 N -0.02 0.08 -0.24 0.00 2.07 -0.91 0.55 116.25 117.78 1k3g h VAL 84 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1k3g h VAL 84 Cb 0.11 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1k3g h VAL 84 CO -0.13 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.40 1k3g h ALA 85 N -0.20 0.16 -0.44 1.67 0.00 -0.62 0.13 119.26 119.96 1k3g h ALA 85 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1k3g h ALA 85 Cb 0.69 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1k3g h ALA 85 CO -0.34 -0.47 0.25 0.00 0.00 0.00 0.00 179.25 178.69 1k3g h ALA 86 N 1.24 0.56 0.05 0.00 0.00 -0.61 0.26 119.26 120.75 1k3g h ALA 86 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 86 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1k3g h ALA 86 CO -0.24 -0.07 -0.02 2.35 0.00 0.00 0.00 179.25 181.26 1k3g h TRP 87 N 0.51 -0.06 -0.21 0.00 7.01 -0.58 -1.44 115.95 121.19 1k3g h TRP 87 Ca 0.18 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1k3g h TRP 87 Cb 0.03 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1k3g h TRP 87 CO -0.08 -0.00 0.14 -0.07 -2.79 0.00 0.00 178.44 175.64 1k3g h LEU 88 N -0.10 0.23 -0.55 0.65 -0.00 -0.24 0.46 115.31 115.77 1k3g h LEU 88 Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1k3g h LEU 88 Cb 0.08 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1k3g h LEU 88 CO 0.01 0.17 0.18 0.00 -0.00 0.00 0.00 178.44 178.80 1k3g h ALA 89 N 1.87 0.71 -0.94 1.53 0.00 -0.08 -2.42 119.26 119.93 1k3g h ALA 89 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1k3g h ALA 89 Cb -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1k3g h ALA 89 CO -0.02 0.37 0.61 1.49 0.00 0.00 0.00 179.25 181.70 1k3g h GLU 90 N 0.75 1.15 -6.62 0.00 4.81 0.10 -3.42 114.58 111.36 1k3g h GLU 90 Ca 0.18 -0.07 -0.52 0.00 -0.13 0.00 0.00 59.36 58.82 1k3g h GLU 90 Cb 0.27 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1k3g h GLU 90 CO -0.01 0.76 0.55 0.15 -0.73 0.00 0.00 179.01 179.73 1k3g s LYS 91 N -6.09 4.49 0.00 1.92 1.02 -0.28 -5.02 119.74 115.78 1k3g s LYS 91 Ca -0.13 1.83 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1k3g s LYS 91 Cb 0.18 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1k3g s LYS 91 CO 0.81 -0.11 0.00 1.63 -0.92 0.00 0.00 175.35 176.76