#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 5.67 0.30 4.52 -1.08 -1.26 -4.86 116.67 119.97 1k3g s ASP 23 Ca 0.00 -0.09 0.06 0.00 -0.52 0.00 0.00 52.55 52.00 1k3g s ASP 23 Cb 0.00 -2.54 0.79 0.00 -1.46 0.00 0.00 42.92 39.71 1k3g s ASP 23 CO 0.00 -2.14 1.70 0.00 0.52 0.00 0.00 175.17 175.24 1k3g h ALA 24 N 12.61 1.55 0.18 3.66 0.00 -1.90 0.59 119.26 135.94 1k3g h ALA 24 Ca -0.24 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k3g h ALA 24 Cb 1.10 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1k3g h ALA 24 CO 1.25 -0.35 -0.08 0.93 0.00 0.00 0.00 179.25 181.00 1k3g h GLU 25 N 0.42 -0.23 -0.59 0.00 5.08 -1.94 -0.08 114.58 117.25 1k3g h GLU 25 Ca 0.59 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 59.06 1k3g h GLU 25 Cb 1.15 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 1k3g h GLU 25 CO -0.53 0.11 0.22 0.00 -1.00 0.00 0.00 179.01 177.80 1k3g h ALA 26 N 0.15 0.75 0.61 3.43 0.00 -1.79 0.22 119.26 122.63 1k3g h ALA 26 Ca -0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1k3g h ALA 26 Cb 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1k3g h ALA 26 CO 0.04 -0.20 -0.46 0.28 0.00 0.00 0.00 179.25 178.91 1k3g h VAL 27 N 0.39 0.00 -0.58 0.00 2.07 -0.81 -2.62 116.25 114.71 1k3g h VAL 27 Ca 0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.88 1k3g h VAL 27 Cb 0.36 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1k3g h VAL 27 CO -0.30 0.00 0.27 0.58 0.02 0.00 0.00 177.57 178.14 1k3g h VAL 28 N -1.03 0.89 0.00 2.57 2.07 -0.45 0.24 116.25 120.54 1k3g h VAL 28 Ca -0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1k3g h VAL 28 Cb 0.85 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1k3g h VAL 28 CO 0.03 0.09 0.50 1.56 0.02 0.00 0.00 177.57 179.76 1k3g h GLN 29 N 0.50 0.00 -0.22 1.57 1.08 -0.50 -0.20 115.11 117.34 1k3g h GLN 29 Ca 0.27 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.26 1k3g h GLN 29 Cb 0.24 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 27.28 1k3g h GLN 29 CO -0.22 0.00 -1.07 0.94 -0.95 0.00 0.00 178.83 177.53 1k3g n GLN 30 N -2.69 0.90 0.12 1.46 7.27 0.54 -4.80 117.38 120.20 1k3g n GLN 30 Ca -0.01 -2.78 0.00 0.00 0.07 0.00 0.00 57.00 54.28 1k3g n GLN 30 Cb 0.53 -0.83 0.00 0.00 2.41 0.00 0.00 30.24 32.34 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1k3g n LYS 31 N -0.07 0.00 -0.09 3.69 4.76 0.47 -4.92 118.16 122.00 1k3g n LYS 31 Ca 0.07 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.32 1k3g n LYS 31 Cb 0.97 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 34.04 1k3g n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k3g h ILE 33 N -0.97 0.64 -0.84 0.00 -0.00 -1.63 0.12 117.51 114.83 1k3g h ILE 33 Ca -0.23 0.00 0.34 0.00 -0.00 0.00 0.00 64.86 64.97 1k3g h ILE 33 Cb 1.22 0.81 -0.15 0.00 -0.00 0.00 0.00 36.82 38.70 1k3g h ILE 33 CO -0.13 0.00 0.42 -0.24 -0.00 0.00 0.00 178.15 178.20 1k3g n SER 34 N -4.12 0.27 -0.03 2.16 2.88 -1.25 0.29 113.62 113.82 1k3g n SER 34 Ca 0.04 1.39 -0.04 0.00 -1.33 0.00 0.00 58.87 58.94 1k3g n SER 34 Cb 0.41 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.17 1k3g n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k3g n HIS 36 N -2.49 0.01 0.00 0.00 8.25 0.25 -0.45 115.22 120.79 1k3g n HIS 36 Ca -0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1k3g n HIS 36 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 0.84 1.42 1.37 -1.41 0.00 0.15 -0.80 105.19 106.75 1k3g n GLY 37 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1k3g n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3g n GLY 38 N 0.00 -0.46 1.12 -0.02 0.00 -1.26 -4.52 105.19 100.06 1k3g n GLY 38 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1k3g n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k3g n ASP 39 N -2.21 3.50 -0.10 1.61 8.00 -1.26 -4.92 116.55 121.17 1k3g n ASP 39 Ca 0.00 -1.97 -0.01 0.00 0.71 0.00 0.00 54.79 53.52 1k3g n ASP 39 Cb 0.00 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 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 1.38 0.03 0.02 0.64 4.32 -1.20 -4.71 117.00 117.47 1k3g n LEU 40 Ca 0.20 0.03 0.11 0.00 -0.02 0.00 0.00 56.01 56.33 1k3g n LEU 40 Cb 0.57 -0.90 0.47 0.00 -1.62 0.00 0.00 43.42 41.95 1k3g n LEU 40 CO 0.15 -0.19 0.86 0.35 -1.22 0.00 0.00 177.39 177.33 1k3g n THR 41 N -2.84 0.50 0.00 -5.08 -2.24 -1.12 -1.22 114.28 102.27 1k3g n THR 41 Ca -0.01 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1k3g n THR 41 Cb 0.10 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 0.80 1.13 0.00 3.38 0.00 0.02 -4.22 105.19 106.29 1k3g n GLY 42 Ca 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 1.30 0.54 1.35 4.61 0.00 -1.19 -4.52 120.51 122.60 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 0.44 0.00 0.00 0.00 0.00 19.45 19.89 1k3g n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k3g n SER 44 N -0.86 1.53 -3.75 0.00 7.64 0.41 -4.92 113.62 113.66 1k3g n SER 44 Ca 0.00 -1.62 -0.10 0.00 1.01 0.00 0.00 58.87 58.17 1k3g n SER 44 Cb 0.00 -0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 1k3g n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k3g s ALA 45 N -1.87 -0.70 0.92 -0.43 0.00 -1.12 -4.96 121.76 113.60 1k3g s ALA 45 Ca 0.34 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 1k3g s ALA 45 Cb 0.19 0.77 0.14 0.00 0.00 0.00 0.00 23.12 24.22 1k3g s ALA 45 CO 0.29 -0.69 1.09 -1.25 0.00 0.00 0.00 175.76 175.20 1k3g s PRO 46 N -3.87 1.04 -0.08 0.00 0.04 -1.26 -4.38 135.00 126.50 1k3g s PRO 46 Ca 0.08 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 1k3g s PRO 46 Cb 0.01 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1k3g s PRO 46 CO -0.06 -2.44 1.29 0.00 0.04 0.00 0.00 177.00 175.82 1k3g s ALA 47 N -2.81 3.57 -1.80 8.56 0.00 -1.26 -4.30 121.76 123.72 1k3g s ALA 47 Ca 0.64 0.65 0.15 0.00 0.00 0.00 0.00 51.96 53.40 1k3g s ALA 47 Cb -0.20 -3.58 0.18 0.00 0.00 0.00 0.00 23.12 19.53 1k3g s ALA 47 CO 0.58 -0.96 1.06 0.44 0.00 0.00 0.00 175.76 176.89 1k3g n ILE 48 N 4.90 0.20 -0.25 0.00 -5.35 -0.36 -4.60 119.36 113.89 1k3g n ILE 48 Ca 0.13 -0.60 0.04 0.00 -0.27 0.00 0.00 62.75 62.05 1k3g n ILE 48 Cb 0.45 1.16 0.10 0.00 -1.74 0.00 0.00 39.64 39.61 1k3g n ILE 48 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1k3g n ASP 49 N 0.88 -0.25 -1.78 7.28 5.75 -0.37 -0.55 116.55 127.51 1k3g n ASP 49 Ca 0.10 1.21 -0.19 0.00 -0.01 0.00 0.00 54.79 55.91 1k3g n ASP 49 Cb 0.41 -0.37 0.13 0.00 -1.03 0.00 0.00 41.12 40.26 1k3g n ASP 49 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1k3g n LYS 50 N -5.14 2.50 -0.13 0.11 2.85 -1.26 -3.36 118.16 113.73 1k3g n LYS 50 Ca 0.11 -3.42 -0.08 0.00 -1.05 0.00 0.00 58.31 53.87 1k3g n LYS 50 Cb 0.36 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 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 1.51 0.50 -0.64 0.58 0.00 -0.99 -2.68 119.26 117.54 1k3g h ALA 51 Ca 0.40 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.42 1k3g h ALA 51 Cb 1.58 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1k3g h ALA 51 CO 0.85 -0.03 0.44 0.78 0.00 0.00 0.00 179.25 181.29 1k3g h GLY 52 N 0.54 0.42 1.19 0.00 0.00 -1.46 0.20 103.07 103.96 1k3g h GLY 52 Ca 0.14 -0.11 -0.24 0.00 0.00 0.00 0.00 47.33 47.12 1k3g h GLY 52 CO -0.03 0.05 -0.88 0.00 0.00 0.00 0.00 176.54 175.68 1k3g h ALA 53 N 1.69 0.24 0.21 3.60 0.00 -1.69 -3.35 119.26 119.96 1k3g h ALA 53 Ca 0.31 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1k3g h ALA 53 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1k3g h ALA 53 CO -0.07 0.68 -0.10 -0.91 0.00 0.00 0.00 179.25 178.86 1k3g h ASN 54 N 0.50 -0.24 -4.27 0.00 2.35 -0.44 -3.46 115.58 110.02 1k3g h ASN 54 Ca -0.08 -0.20 -0.30 0.00 -0.55 0.00 0.00 56.30 55.17 1k3g h ASN 54 Cb 1.51 0.06 -0.25 0.00 0.05 0.00 0.00 38.32 39.69 1k3g h ASN 54 CO 0.18 0.07 -0.74 -0.31 -1.65 0.00 0.00 177.43 174.98 1k3g s TYR 55 N -4.96 0.55 0.88 1.19 2.02 0.42 -5.11 117.35 112.32 1k3g s TYR 55 Ca -0.15 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.17 1k3g s TYR 55 Cb 0.03 -0.34 0.12 0.00 -0.40 0.00 0.00 41.96 41.37 1k3g s TYR 55 CO 0.60 -0.04 1.11 -1.12 -1.57 0.00 0.00 175.55 174.53 1k3g s SER 56 N -0.74 3.78 0.29 2.29 0.01 -1.26 -4.02 113.70 114.05 1k3g s SER 56 Ca -0.03 1.16 0.04 0.00 1.31 0.00 0.00 55.95 58.42 1k3g s SER 56 Cb -0.05 -1.81 0.70 0.00 0.21 0.00 0.00 66.02 65.07 1k3g s SER 56 CO 0.00 -2.40 1.73 1.05 0.41 0.00 0.00 173.24 174.03 1k3g h GLU 57 N -1.39 0.54 -0.65 12.44 9.09 -1.90 0.14 114.58 132.85 1k3g h GLU 57 Ca -0.50 -0.03 0.06 0.00 0.05 0.00 0.00 59.36 58.94 1k3g h GLU 57 Cb 1.30 -0.12 -0.05 0.00 -1.65 0.00 0.00 28.75 28.23 1k3g h GLU 57 CO 0.60 0.36 0.35 1.49 0.05 0.00 0.00 179.01 181.86 1k3g h GLU 58 N 0.56 0.63 0.09 1.06 4.81 -1.92 0.24 114.58 120.05 1k3g h GLU 58 Ca 0.55 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.55 1k3g h GLU 58 Cb 0.95 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 30.21 1k3g h GLU 58 CO -0.45 0.42 -0.82 0.93 -0.73 0.00 0.00 179.01 178.36 1k3g h GLU 59 N 0.65 0.39 -0.17 1.92 4.39 -1.19 -0.93 114.58 119.64 1k3g h GLU 59 Ca 0.29 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1k3g h GLU 59 Cb 0.19 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1k3g h GLU 59 CO -0.19 1.22 0.11 0.82 -1.16 0.00 0.00 179.01 179.81 1k3g h ILE 60 N -0.17 1.03 -0.59 3.13 2.04 -0.77 -0.95 117.51 121.24 1k3g h ILE 60 Ca -0.13 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.72 1k3g h ILE 60 Cb 1.58 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 1k3g h ILE 60 CO 0.16 0.04 0.27 0.25 0.00 0.00 0.00 178.15 178.87 1k3g h LEU 61 N 0.23 0.35 -0.39 1.44 5.85 -0.51 0.17 115.31 122.45 1k3g h LEU 61 Ca 0.07 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1k3g h LEU 61 Cb -0.02 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 1k3g h LEU 61 CO -0.02 0.23 -0.42 -0.78 -0.34 0.00 0.00 178.44 177.10 1k3g h ASP 62 N 0.50 -1.41 -0.38 1.25 1.82 -0.57 0.91 116.42 118.54 1k3g h ASP 62 Ca 0.28 0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 57.12 1k3g h ASP 62 Cb 0.25 0.61 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 1k3g h ASP 62 CO -0.22 -0.37 0.20 0.40 -1.61 0.00 0.00 179.24 177.64 1k3g h ILE 63 N -0.33 1.15 -0.45 2.25 2.04 0.25 0.47 117.51 122.89 1k3g h ILE 63 Ca 0.14 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.68 1k3g h ILE 63 Cb 0.58 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1k3g h ILE 63 CO -0.56 0.16 0.00 0.40 0.00 0.00 0.00 178.15 178.15 1k3g h ILE 64 N 0.48 0.65 -0.04 -0.67 2.04 -0.01 0.22 117.51 120.19 1k3g h ILE 64 Ca 0.13 -0.04 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 1k3g h ILE 64 Cb 0.07 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1k3g h ILE 64 CO -0.02 0.02 -0.66 -0.07 0.00 0.00 0.00 178.15 177.42 1k3g h LEU 65 N 0.12 0.19 -4.67 1.44 3.38 -0.60 -1.15 115.31 114.01 1k3g h LEU 65 Ca 0.23 -0.12 -0.46 0.00 0.09 0.00 0.00 57.88 57.62 1k3g h LEU 65 Cb 0.33 -0.06 -0.41 0.00 0.09 0.00 0.00 40.66 40.61 1k3g h LEU 65 CO -0.37 0.80 -0.95 0.59 0.09 0.00 0.00 178.44 178.59 1k3g n ASN 66 N -3.80 3.26 -4.35 -0.43 3.02 0.16 -2.45 115.26 110.67 1k3g n ASN 66 Ca -0.02 -3.16 -0.52 0.00 -0.03 0.00 0.00 54.58 50.84 1k3g n ASN 66 Cb 0.66 -0.47 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.40 -0.24 3.93 7.41 0.00 0.65 -4.65 105.19 111.88 1k3g n GLY 67 Ca 0.26 1.12 -0.26 0.00 0.00 0.00 0.00 46.02 47.14 1k3g n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k3g s GLN 68 N 7.12 2.90 6.96 1.61 0.74 -1.25 -4.21 119.66 133.52 1k3g s GLN 68 Ca 1.25 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 56.52 1k3g s GLN 68 Cb -1.37 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 30.41 1k3g s GLN 68 CO 0.59 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 1k3g n GLY 69 N -2.49 3.62 0.18 2.59 0.00 -1.26 -1.46 105.19 106.37 1k3g n GLY 69 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.11 -0.02 0.00 -2.02 -3.45 103.07 93.47 1k3g h GLY 70 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1k3g h GLY 70 CO 0.00 0.00 0.77 -0.29 0.00 0.00 0.00 176.54 177.02 1k3g s MET 71 N -3.47 4.21 -0.07 4.80 0.00 -0.53 -4.96 119.30 119.28 1k3g s MET 71 Ca 0.01 2.41 -0.20 0.00 0.00 0.00 0.00 55.69 57.91 1k3g s MET 71 Cb 0.10 -3.05 -0.16 0.00 0.00 0.00 0.00 34.83 31.72 1k3g s MET 71 CO 0.69 -0.45 0.79 -1.00 0.00 0.00 0.00 175.02 175.06 1k3g h PRO 72 N 4.18 -0.16 0.00 4.11 0.13 -1.84 -3.33 132.00 135.10 1k3g h PRO 72 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k3g h PRO 72 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1k3g h PRO 72 CO 0.72 0.31 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1k3g n GLY 73 N 0.83 3.02 2.33 1.56 0.00 -1.26 -4.24 105.19 107.43 1k3g n GLY 73 Ca -0.07 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.05 0.71 0.18 -0.02 0.00 -0.43 -4.78 105.19 100.80 1k3g n GLY 74 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 0.65 -3.16 -0.61 2.04 -1.89 -3.41 117.51 111.14 1k3g h ILE 75 Ca -0.29 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 64.93 1k3g h ILE 75 Cb 1.03 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.67 1k3g h ILE 75 CO 0.39 0.00 -0.59 0.00 0.00 0.00 0.00 178.15 177.95 1k3g s ALA 76 N -6.15 3.59 0.03 1.87 0.00 -1.26 -5.09 121.76 114.74 1k3g s ALA 76 Ca -0.14 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 1k3g s ALA 76 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1k3g s ALA 76 CO 0.67 0.74 0.18 0.15 0.00 0.00 0.00 175.76 177.51 1k3g s LYS 77 N -2.26 0.63 2.15 0.00 1.02 -1.26 -4.64 119.74 115.38 1k3g s LYS 77 Ca 0.28 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1k3g s LYS 77 Cb -0.12 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 1k3g s LYS 77 CO 0.21 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1k3g n GLY 78 N 0.94 -0.79 0.43 -3.33 0.00 -1.26 -3.91 105.19 97.27 1k3g n GLY 78 Ca -0.20 -1.15 0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.41 2.41 -0.69 4.61 0.00 -1.99 0.04 119.26 123.22 1k3g h ALA 79 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1k3g h ALA 79 Cb 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1k3g h ALA 79 CO 0.00 -0.91 -0.45 1.49 0.00 0.00 0.00 179.25 179.38 1k3g h GLU 80 N 0.00 -0.05 -0.26 0.00 4.81 -1.93 0.13 114.58 117.28 1k3g h GLU 80 Ca 0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1k3g h GLU 80 Cb 1.48 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 1k3g h GLU 80 CO -0.00 -0.03 0.12 0.00 -0.73 0.00 0.00 179.01 178.36 1k3g h ALA 81 N 0.07 0.34 -0.06 2.92 0.00 -1.17 -0.98 119.26 120.39 1k3g h ALA 81 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1k3g h ALA 81 Cb 0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1k3g h ALA 81 CO -0.68 -0.08 -0.40 0.93 0.00 0.00 0.00 179.25 179.02 1k3g h GLU 82 N 0.28 -0.50 -0.38 0.00 5.08 -1.53 0.11 114.58 117.64 1k3g h GLU 82 Ca 0.09 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1k3g h GLU 82 Cb 0.15 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1k3g h GLU 82 CO -0.01 -0.33 0.12 0.00 -1.00 0.00 0.00 179.01 177.79 1k3g h ALA 83 N 0.09 0.44 0.23 3.43 0.00 -0.52 -0.03 119.26 122.89 1k3g h ALA 83 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 83 Cb 0.63 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1k3g h ALA 83 CO -0.34 -0.27 -0.20 0.28 0.00 0.00 0.00 179.25 178.72 1k3g h VAL 84 N 0.27 0.57 -0.21 0.00 2.07 -0.83 0.12 116.25 118.24 1k3g h VAL 84 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1k3g h VAL 84 Cb 0.17 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1k3g h VAL 84 CO -0.19 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.19 1k3g h ALA 85 N 0.27 -0.10 -0.11 1.67 0.00 -0.33 0.21 119.26 120.86 1k3g h ALA 85 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 85 Cb 0.41 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1k3g h ALA 85 CO -0.03 -0.64 0.02 0.00 0.00 0.00 0.00 179.25 178.60 1k3g h ALA 86 N 0.83 0.11 -0.40 0.00 0.00 -0.90 0.13 119.26 119.03 1k3g h ALA 86 Ca 0.13 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 86 Cb 0.42 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1k3g h ALA 86 CO -0.34 -0.44 0.01 2.35 0.00 0.00 0.00 179.25 180.83 1k3g h TRP 87 N 0.07 -0.01 -0.43 0.00 7.01 -0.34 -0.37 115.95 121.89 1k3g h TRP 87 Ca 0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1k3g h TRP 87 Cb 0.04 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 1k3g h TRP 87 CO -0.12 -0.07 0.19 -0.07 -2.79 0.00 0.00 178.44 175.58 1k3g h LEU 88 N 0.12 0.53 -0.55 0.65 -0.00 -0.15 -0.93 115.31 114.97 1k3g h LEU 88 Ca 0.20 -0.05 0.10 0.00 -0.00 0.00 0.00 57.88 58.13 1k3g h LEU 88 Cb 0.28 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 40.73 1k3g h LEU 88 CO -0.32 0.47 0.11 0.00 -0.00 0.00 0.00 178.44 178.70 1k3g h ALA 89 N 1.62 0.64 -0.13 1.53 0.00 0.95 0.12 119.26 123.99 1k3g h ALA 89 Ca 0.15 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 89 Cb 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1k3g h ALA 89 CO -0.02 -0.30 0.06 0.39 0.00 0.00 0.00 179.25 179.38 1k3g n GLU 90 N -5.12 1.37 -4.07 0.00 4.71 -0.39 -4.52 120.64 112.62 1k3g n GLU 90 Ca 0.07 -0.50 -0.29 0.00 -0.01 0.00 0.00 57.16 56.44 1k3g n GLU 90 Cb 0.29 -1.36 -0.17 0.00 -1.01 0.00 0.00 31.44 29.19 1k3g n GLU 90 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1k3g s LYS 91 N -0.83 2.12 0.00 3.49 1.02 0.40 -5.04 119.74 120.91 1k3g s LYS 91 Ca 0.09 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1k3g s LYS 91 Cb 0.07 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1k3g s LYS 91 CO 0.02 -0.21 0.22 1.63 -0.92 0.00 0.00 175.35 176.09