#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 4.78 0.25 4.52 -1.08 -1.26 -5.01 116.67 118.87 1k3g s ASP 23 Ca 0.00 -1.54 -0.04 0.00 -0.52 0.00 0.00 52.55 50.45 1k3g s ASP 23 Cb 0.00 -1.66 0.47 0.00 -1.46 0.00 0.00 42.92 40.27 1k3g s ASP 23 CO 0.00 -0.29 1.71 0.00 0.52 0.00 0.00 175.17 177.11 1k3g h ALA 24 N 7.87 1.02 -0.19 3.66 0.00 -1.91 0.12 119.26 129.85 1k3g h ALA 24 Ca -0.17 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1k3g h ALA 24 Cb 1.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1k3g h ALA 24 CO 0.53 -0.28 -0.00 0.93 0.00 0.00 0.00 179.25 180.42 1k3g h GLU 25 N 0.35 0.33 -0.48 0.00 5.08 -1.94 0.13 114.58 118.06 1k3g h GLU 25 Ca 0.42 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1k3g h GLU 25 Cb 0.69 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1k3g h GLU 25 CO -0.46 0.54 0.18 0.00 -1.00 0.00 0.00 179.01 178.27 1k3g h ALA 26 N 0.78 0.59 0.46 3.43 0.00 -1.86 0.15 119.26 122.80 1k3g h ALA 26 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1k3g h ALA 26 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1k3g h ALA 26 CO 0.01 -0.21 -0.39 0.28 0.00 0.00 0.00 179.25 178.94 1k3g h VAL 27 N 0.36 0.21 -0.48 0.00 2.07 -0.65 -2.43 116.25 115.33 1k3g h VAL 27 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 1k3g h VAL 27 Cb 0.22 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1k3g h VAL 27 CO -0.22 0.00 0.07 0.58 0.02 0.00 0.00 177.57 178.02 1k3g h VAL 28 N -0.85 0.70 -0.34 2.57 2.07 -0.51 0.13 116.25 120.03 1k3g h VAL 28 Ca -0.05 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1k3g h VAL 28 Cb 0.74 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1k3g h VAL 28 CO -0.02 0.04 0.51 1.56 0.02 0.00 0.00 177.57 179.67 1k3g h GLN 29 N 0.20 0.00 -1.78 1.57 1.08 -0.57 0.68 115.11 116.30 1k3g h GLN 29 Ca 0.24 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.98 1k3g h GLN 29 Cb 0.33 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.36 1k3g h GLN 29 CO -0.34 0.00 -1.15 1.04 -0.95 0.00 0.00 178.83 177.43 1k3g n GLN 30 N -3.40 1.22 0.00 1.46 6.02 0.35 -4.72 117.38 118.32 1k3g n GLN 30 Ca 0.06 -3.48 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 1k3g n GLN 30 Cb 0.65 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k3g n LYS 31 N 0.15 0.00 -0.13 -1.09 5.02 -0.56 -4.92 118.16 116.63 1k3g n LYS 31 Ca 0.22 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 1k3g n LYS 31 Cb 0.68 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.59 1k3g n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k3g h ILE 33 N -1.00 0.54 -1.25 0.00 -0.00 -1.39 0.68 117.51 115.09 1k3g h ILE 33 Ca -0.57 0.00 0.45 0.00 -0.00 0.00 0.00 64.86 64.74 1k3g h ILE 33 Cb 1.49 0.90 -0.14 0.00 -0.00 0.00 0.00 36.82 39.06 1k3g h ILE 33 CO -0.34 0.00 0.79 -1.20 -0.00 0.00 0.00 178.15 177.39 1k3g n SER 34 N -3.90 0.22 0.00 2.16 7.64 -1.26 -0.33 113.62 118.15 1k3g n SER 34 Ca 0.00 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1k3g n SER 34 Cb 0.24 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.73 0.00 0.00 0.00 8.25 0.05 -0.31 115.22 120.49 1k3g n HIS 36 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1k3g n HIS 36 Cb 0.49 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.06 -0.83 0.37 -1.41 0.00 0.55 -0.80 105.19 103.13 1k3g n GLY 37 Ca 0.06 -1.46 0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 1.76 -0.83 -0.02 0.00 -1.94 0.11 103.07 102.15 1k3g h GLY 38 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1k3g h GLY 38 CO 0.00 -0.36 -0.08 1.22 0.00 0.00 0.00 176.54 177.32 1k3g n ASP 39 N -4.88 1.90 -0.17 0.19 8.00 -1.26 -4.94 116.55 115.39 1k3g n ASP 39 Ca 0.30 -1.56 -0.02 0.00 0.71 0.00 0.00 54.79 54.23 1k3g n ASP 39 Cb 0.98 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 42.13 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k3g n LEU 40 N 0.37 0.20 -0.38 0.64 4.77 0.36 -4.84 117.00 118.13 1k3g n LEU 40 Ca 0.16 0.05 0.14 0.00 -0.03 0.00 0.00 56.01 56.33 1k3g n LEU 40 Cb 0.43 -1.47 0.61 0.00 -2.33 0.00 0.00 43.42 40.66 1k3g n LEU 40 CO 0.18 -0.48 0.91 0.35 -1.33 0.00 0.00 177.39 177.03 1k3g n THR 41 N -2.57 0.01 0.00 -5.08 -2.24 -1.13 -2.09 114.28 101.18 1k3g n THR 41 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1k3g n THR 41 Cb 0.25 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.13 -1.44 0.62 3.38 0.00 0.02 -4.35 105.19 104.54 1k3g n GLY 42 Ca 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.23 1.90 0.66 4.61 0.00 -1.15 -4.73 120.51 122.03 1k3g n ALA 43 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1k3g n ALA 43 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.46 2.78 -3.73 0.00 2.88 0.58 -4.97 113.62 109.70 1k3g n SER 44 Ca 0.00 -1.90 -0.09 0.00 -1.33 0.00 0.00 58.87 55.55 1k3g n SER 44 Cb 0.00 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 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 -1.60 -1.07 0.74 -1.46 0.00 -1.18 -4.93 121.76 112.26 1k3g s ALA 45 Ca 0.36 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1k3g s ALA 45 Cb 0.21 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.23 1k3g s ALA 45 CO 0.29 -0.86 1.09 -1.25 0.00 0.00 0.00 175.76 175.03 1k3g s PRO 46 N -3.87 2.49 -0.15 0.00 0.04 -1.26 -4.29 135.00 127.96 1k3g s PRO 46 Ca 0.09 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1k3g s PRO 46 Cb -0.02 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1k3g s PRO 46 CO -0.01 -1.46 1.34 0.00 0.04 0.00 0.00 177.00 176.90 1k3g s ALA 47 N -2.82 3.65 -2.58 8.56 0.00 -1.26 -4.38 121.76 122.93 1k3g s ALA 47 Ca 0.62 0.54 0.22 0.00 0.00 0.00 0.00 51.96 53.34 1k3g s ALA 47 Cb -0.17 -3.65 0.29 0.00 0.00 0.00 0.00 23.12 19.60 1k3g s ALA 47 CO 0.53 -1.22 1.29 0.44 0.00 0.00 0.00 175.76 176.80 1k3g n ILE 48 N 5.40 0.26 -0.31 0.00 -5.35 -1.08 -4.56 119.36 113.71 1k3g n ILE 48 Ca 0.15 -0.63 0.17 0.00 -0.27 0.00 0.00 62.75 62.17 1k3g n ILE 48 Cb 0.44 1.22 0.35 0.00 -1.74 0.00 0.00 39.64 39.91 1k3g n ILE 48 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1k3g h ASP 49 N 4.35 -0.02 -0.96 7.28 3.58 -1.76 0.15 116.42 129.04 1k3g h ASP 49 Ca 0.00 0.22 -0.63 0.00 0.42 0.00 0.00 57.03 57.05 1k3g h ASP 49 Cb 0.95 0.31 -0.35 0.00 1.72 0.00 0.00 39.33 41.95 1k3g h ASP 49 CO 0.00 -0.24 0.10 0.29 -2.88 0.00 0.00 179.24 176.51 1k3g n LYS 50 N -5.28 3.12 -0.02 0.28 4.01 -1.26 -3.62 118.16 115.38 1k3g n LYS 50 Ca 0.25 -3.72 -0.11 0.00 -0.51 0.00 0.00 58.31 54.22 1k3g n LYS 50 Cb 0.81 -2.28 -0.04 0.00 -0.51 0.00 0.00 35.03 33.00 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k3g h ALA 51 N 2.15 0.18 -1.00 7.82 0.00 -0.89 -3.10 119.26 124.41 1k3g h ALA 51 Ca 0.49 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.61 1k3g h ALA 51 Cb 1.09 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1k3g h ALA 51 CO 1.21 -0.32 0.61 0.78 0.00 0.00 0.00 179.25 181.52 1k3g h GLY 52 N 0.19 1.71 1.02 0.00 0.00 -1.49 0.37 103.07 104.86 1k3g h GLY 52 Ca 0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1k3g h GLY 52 CO -0.01 -0.13 0.24 0.00 0.00 0.00 0.00 176.54 176.64 1k3g h ALA 53 N 1.67 0.86 0.05 3.60 0.00 -1.70 -3.29 119.26 120.45 1k3g h ALA 53 Ca 0.60 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1k3g h ALA 53 Cb 1.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1k3g h ALA 53 CO -0.39 0.50 -0.02 -0.91 0.00 0.00 0.00 179.25 178.42 1k3g h ASN 54 N 0.94 -0.06 -3.75 0.00 2.35 -0.35 -3.47 115.58 111.25 1k3g h ASN 54 Ca 0.22 -0.53 -0.23 0.00 -0.55 0.00 0.00 56.30 55.21 1k3g h ASN 54 Cb 0.25 0.01 -0.28 0.00 0.05 0.00 0.00 38.32 38.35 1k3g h ASN 54 CO -0.01 0.53 -0.70 -0.31 -1.65 0.00 0.00 177.43 175.29 1k3g s TYR 55 N -3.71 -0.01 0.88 1.19 2.02 0.40 -5.12 117.35 113.00 1k3g s TYR 55 Ca -0.16 0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 1k3g s TYR 55 Cb 0.01 0.00 0.12 0.00 -0.40 0.00 0.00 41.96 41.69 1k3g s TYR 55 CO 0.62 -0.01 1.16 0.45 -1.57 0.00 0.00 175.55 176.20 1k3g s SER 56 N -0.01 3.81 0.27 2.29 0.15 -1.26 -3.80 113.70 115.15 1k3g s SER 56 Ca -0.00 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1k3g s SER 56 Cb -0.00 -1.40 0.60 0.00 -1.71 0.00 0.00 66.02 63.51 1k3g s SER 56 CO 0.00 -2.35 1.73 1.05 1.20 0.00 0.00 173.24 174.87 1k3g h GLU 57 N -1.36 0.48 -0.96 5.44 9.09 -1.91 0.13 114.58 125.49 1k3g h GLU 57 Ca -0.49 -0.03 0.12 0.00 0.05 0.00 0.00 59.36 59.01 1k3g h GLU 57 Cb 1.33 -0.11 -0.08 0.00 -1.65 0.00 0.00 28.75 28.24 1k3g h GLU 57 CO 0.62 0.32 0.59 1.49 0.05 0.00 0.00 179.01 182.08 1k3g h GLU 58 N 0.50 0.90 0.11 1.06 4.81 -1.92 0.24 114.58 120.28 1k3g h GLU 58 Ca 0.49 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.50 1k3g h GLU 58 Cb 0.82 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.00 1k3g h GLU 58 CO -0.44 0.60 -0.76 0.93 -0.73 0.00 0.00 179.01 178.61 1k3g h GLU 59 N 0.93 0.23 -0.37 1.92 4.39 -1.20 -2.67 114.58 117.81 1k3g h GLU 59 Ca 0.48 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1k3g h GLU 59 Cb 0.48 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1k3g h GLU 59 CO -0.27 1.19 0.20 0.82 -1.16 0.00 0.00 179.01 179.79 1k3g h ILE 60 N -0.50 1.15 -0.56 3.13 2.04 -0.68 -0.99 117.51 121.10 1k3g h ILE 60 Ca -0.14 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.42 1k3g h ILE 60 Cb 1.53 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 1k3g h ILE 60 CO 0.10 0.15 0.19 0.25 0.00 0.00 0.00 178.15 178.84 1k3g h LEU 61 N 0.47 0.18 -0.13 1.44 5.85 -0.61 0.17 115.31 122.67 1k3g h LEU 61 Ca 0.13 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1k3g h LEU 61 Cb 0.06 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1k3g h LEU 61 CO -0.02 0.12 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.19 1k3g h ASP 62 N 0.37 -0.71 -0.76 1.25 1.82 -1.04 0.14 116.42 117.48 1k3g h ASP 62 Ca 0.28 0.12 0.07 0.00 -0.39 0.00 0.00 57.03 57.11 1k3g h ASP 62 Cb 0.34 0.32 -0.06 0.00 0.68 0.00 0.00 39.33 40.60 1k3g h ASP 62 CO -0.29 -0.28 0.43 0.40 -1.61 0.00 0.00 179.24 177.89 1k3g h ILE 63 N -0.29 0.96 -0.40 2.25 2.04 0.14 0.45 117.51 122.66 1k3g h ILE 63 Ca 0.10 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1k3g h ILE 63 Cb 0.44 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1k3g h ILE 63 CO -0.30 0.14 0.19 0.40 0.00 0.00 0.00 178.15 178.58 1k3g h ILE 64 N 0.77 1.18 0.00 -0.67 2.04 -0.07 0.66 117.51 121.42 1k3g h ILE 64 Ca 0.35 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1k3g h ILE 64 Cb 0.25 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1k3g h ILE 64 CO -0.20 0.19 -0.57 -0.07 0.00 0.00 0.00 178.15 177.49 1k3g h LEU 65 N 0.51 0.00 -2.55 1.44 3.38 0.19 -1.55 115.31 116.73 1k3g h LEU 65 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1k3g h LEU 65 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1k3g h LEU 65 CO -0.02 0.57 -0.13 0.59 0.09 0.00 0.00 178.44 179.54 1k3g n ASN 66 N -3.70 1.45 0.00 -0.43 3.02 0.15 -2.41 115.26 113.34 1k3g n ASN 66 Ca -0.01 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.12 1k3g n ASN 66 Cb 0.61 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.77 0.79 0.00 7.41 0.00 0.22 -4.48 105.19 108.35 1k3g n GLY 67 Ca 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 3.46 0.00 0.00 1.61 7.27 -0.50 -4.53 117.38 124.69 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 -0.03 2.00 0.27 1.69 0.00 -1.26 0.23 105.19 108.11 1k3g n GLY 69 Ca 0.00 0.40 0.17 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 -5.16 -0.02 0.00 -2.01 -3.44 103.07 92.44 1k3g h GLY 70 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1k3g h GLY 70 CO 0.00 0.00 0.96 -0.29 0.00 0.00 0.00 176.54 177.21 1k3g s MET 71 N -3.71 4.22 -0.00 4.80 0.00 0.14 -4.99 119.30 119.75 1k3g s MET 71 Ca 0.01 1.87 -0.30 0.00 0.00 0.00 0.00 55.69 57.27 1k3g s MET 71 Cb 0.09 -3.83 -0.04 0.00 0.00 0.00 0.00 34.83 31.06 1k3g s MET 71 CO 0.55 -0.74 1.13 -1.25 0.00 0.00 0.00 175.02 174.70 1k3g s PRO 72 N 3.60 4.44 0.28 4.11 0.04 -1.26 -1.40 135.00 144.80 1k3g s PRO 72 Ca 0.62 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1k3g s PRO 72 Cb -0.27 -3.45 -0.11 0.00 0.04 0.00 0.00 34.50 30.72 1k3g s PRO 72 CO 0.21 -0.26 1.50 0.20 0.04 0.00 0.00 177.00 178.68 1k3g s GLY 73 N 1.17 2.32 0.00 0.56 0.00 -1.26 -3.53 107.32 106.57 1k3g s GLY 73 Ca 0.55 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1k3g s GLY 73 CO 0.26 2.36 0.00 0.61 0.00 0.00 0.00 173.10 176.33 1k3g n GLY 74 N 2.00 0.90 0.10 0.20 0.00 -0.59 -4.70 105.19 103.09 1k3g n GLY 74 Ca 0.07 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 0.89 -2.51 -0.61 1.08 -1.59 -3.42 117.51 111.35 1k3g h ILE 75 Ca 0.00 -0.04 -0.55 0.00 -0.39 0.00 0.00 64.86 63.89 1k3g h ILE 75 Cb 0.86 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 35.47 1k3g h ILE 75 CO 0.00 0.01 -0.55 0.00 -0.69 0.00 0.00 178.15 176.92 1k3g s ALA 76 N -6.10 3.58 0.06 1.87 0.00 -1.26 -5.05 121.76 114.85 1k3g s ALA 76 Ca -0.14 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 1k3g s ALA 76 Cb 0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1k3g s ALA 76 CO 0.65 0.41 0.13 0.15 0.00 0.00 0.00 175.76 177.10 1k3g s LYS 77 N -3.38 0.71 2.00 0.00 -0.14 -1.26 -4.69 119.74 112.98 1k3g s LYS 77 Ca 0.32 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 1k3g s LYS 77 Cb -0.09 0.28 0.00 0.00 -1.68 0.00 0.00 37.83 36.34 1k3g s LYS 77 CO 0.24 -0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.04 1k3g n GLY 78 N 0.33 -0.84 0.43 -3.33 0.00 -1.26 -3.74 105.19 96.77 1k3g n GLY 78 Ca -0.17 -1.10 0.24 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.63 2.48 -0.88 4.61 0.00 -1.99 0.13 119.26 122.97 1k3g h ALA 79 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1k3g h ALA 79 Cb 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 1k3g h ALA 79 CO 0.00 -0.92 -0.52 -1.91 0.00 0.00 0.00 179.25 175.91 1k3g n GLU 80 N -3.92 -0.38 -0.01 0.00 2.13 -1.25 -0.38 120.64 116.83 1k3g n GLU 80 Ca 0.13 1.34 -0.12 0.00 0.66 0.00 0.00 57.16 59.16 1k3g n GLU 80 Cb 0.82 -1.96 -0.08 0.00 0.27 0.00 0.00 31.44 30.49 1k3g n GLU 80 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k3g h ALA 81 N 0.47 0.08 -0.08 4.31 0.00 -0.87 -2.59 119.26 120.57 1k3g h ALA 81 Ca 0.15 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1k3g h ALA 81 Cb 0.37 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1k3g h ALA 81 CO -0.83 -0.27 -0.29 0.93 0.00 0.00 0.00 179.25 178.79 1k3g h GLU 82 N -0.17 -0.38 -0.15 0.00 5.08 -1.47 0.42 114.58 117.91 1k3g h GLU 82 Ca 0.02 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1k3g h GLU 82 Cb 0.31 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1k3g h GLU 82 CO 0.00 -0.25 -0.14 0.00 -1.00 0.00 0.00 179.01 177.62 1k3g h ALA 83 N 0.43 -0.03 0.18 3.43 0.00 -0.74 0.44 119.26 122.96 1k3g h ALA 83 Ca 0.08 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1k3g h ALA 83 Cb 0.52 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1k3g h ALA 83 CO -0.31 -0.58 -0.37 0.28 0.00 0.00 0.00 179.25 178.28 1k3g h VAL 84 N -0.16 0.24 -0.39 0.00 2.07 -1.04 0.37 116.25 117.34 1k3g h VAL 84 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1k3g h VAL 84 Cb 0.30 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1k3g h VAL 84 CO -0.24 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.22 1k3g h ALA 85 N -0.09 0.21 -0.15 1.67 0.00 -0.55 0.17 119.26 120.52 1k3g h ALA 85 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 85 Cb 0.64 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1k3g h ALA 85 CO -0.18 -0.48 0.08 0.00 0.00 0.00 0.00 179.25 178.67 1k3g h ALA 86 N 1.32 0.18 -0.61 0.00 0.00 -0.67 0.18 119.26 119.66 1k3g h ALA 86 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 86 Cb 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1k3g h ALA 86 CO -0.42 -0.35 0.37 2.35 0.00 0.00 0.00 179.25 181.20 1k3g h TRP 87 N 0.17 0.70 -0.69 0.00 7.01 -0.48 -1.48 115.95 121.18 1k3g h TRP 87 Ca 0.06 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 1k3g h TRP 87 Cb 0.01 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 1k3g h TRP 87 CO -0.09 0.40 0.26 -0.07 -2.79 0.00 0.00 178.44 176.15 1k3g h LEU 88 N 0.74 0.94 -0.40 0.65 -0.00 -0.24 -1.65 115.31 115.35 1k3g h LEU 88 Ca 0.24 -0.14 0.08 0.00 -0.00 0.00 0.00 57.88 58.06 1k3g h LEU 88 Cb 0.02 -0.24 -0.07 0.00 -0.00 0.00 0.00 40.66 40.36 1k3g h LEU 88 CO -0.10 0.85 -0.08 0.00 -0.00 0.00 0.00 178.44 179.11 1k3g h ALA 89 N 1.28 0.28 -0.23 1.53 0.00 0.09 -0.39 119.26 121.82 1k3g h ALA 89 Ca 0.23 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 1k3g h ALA 89 Cb 0.21 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1k3g h ALA 89 CO -0.02 -0.44 0.18 -1.91 0.00 0.00 0.00 179.25 177.06 1k3g n GLU 90 N -5.28 1.35 -4.49 0.00 0.00 -0.63 -4.41 120.64 107.18 1k3g n GLU 90 Ca 0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 57.16 56.23 1k3g n GLU 90 Cb 0.22 -1.29 -0.14 0.00 0.00 0.00 0.00 31.44 30.22 1k3g n GLU 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1k3g s LYS 91 N -0.85 0.99 0.00 5.31 1.02 -0.18 -4.99 119.74 121.05 1k3g s LYS 91 Ca 0.14 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1k3g s LYS 91 Cb 0.12 -0.97 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 1k3g s LYS 91 CO 0.01 0.26 0.00 1.63 -0.92 0.00 0.00 175.35 176.33