#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 5.84 0.22 4.52 1.01 -1.26 -4.84 116.67 122.16 1k3g s ASP 23 Ca 0.00 -0.12 -0.17 0.00 0.71 0.00 0.00 52.55 52.97 1k3g s ASP 23 Cb 0.00 -2.55 0.22 0.00 1.01 0.00 0.00 42.92 41.60 1k3g s ASP 23 CO 0.00 -2.02 1.48 0.00 0.21 0.00 0.00 175.17 174.83 1k3g n ALA 24 N 10.59 -0.13 -0.10 5.23 0.00 -1.26 -0.43 120.51 134.41 1k3g n ALA 24 Ca 0.10 0.94 -0.05 0.00 0.00 0.00 0.00 53.44 54.43 1k3g n ALA 24 Cb 0.50 -0.42 0.02 0.00 0.00 0.00 0.00 19.45 19.55 1k3g n ALA 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k3g h GLU 25 N 0.00 0.11 -0.58 0.00 4.11 -1.93 0.55 114.58 116.85 1k3g h GLU 25 Ca 0.33 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.72 1k3g h GLU 25 Cb 0.56 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1k3g h GLU 25 CO -0.94 0.07 0.25 0.00 0.07 0.00 0.00 179.01 178.47 1k3g h ALA 26 N 1.30 1.37 0.74 1.06 0.00 -1.15 0.19 119.26 122.77 1k3g h ALA 26 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1k3g h ALA 26 Cb 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1k3g h ALA 26 CO -0.28 0.49 -0.36 0.28 0.00 0.00 0.00 179.25 179.38 1k3g h VAL 27 N 0.82 0.17 -0.41 0.00 2.07 -0.62 -3.11 116.25 115.17 1k3g h VAL 27 Ca 0.20 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1k3g h VAL 27 Cb 0.12 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1k3g h VAL 27 CO -0.02 0.01 0.01 0.58 0.02 0.00 0.00 177.57 178.17 1k3g h VAL 28 N -1.14 0.70 -0.20 2.57 2.07 -0.40 0.22 116.25 120.06 1k3g h VAL 28 Ca -0.10 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1k3g h VAL 28 Cb 0.79 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1k3g h VAL 28 CO 0.17 0.02 0.58 1.56 0.02 0.00 0.00 177.57 179.92 1k3g h GLN 29 N 0.12 0.00 0.00 1.57 1.08 -0.72 0.60 115.11 117.77 1k3g h GLN 29 Ca 0.20 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1k3g h GLN 29 Cb 0.28 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.59 1k3g h GLN 29 CO -0.33 0.00 -0.59 1.04 -0.95 0.00 0.00 178.83 178.00 1k3g n GLN 30 N -3.05 0.68 0.06 1.46 6.02 0.58 -4.78 117.38 118.35 1k3g n GLN 30 Ca 0.03 -2.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.76 1k3g n GLN 30 Cb 0.67 -0.83 0.00 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.41 0.00 -0.04 -1.09 4.01 -0.15 -4.96 118.16 115.53 1k3g n LYS 31 Ca 0.10 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.76 1k3g n LYS 31 Cb 0.83 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.26 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 -0.28 0.51 -1.15 0.00 -0.00 -1.44 0.14 117.51 115.30 1k3g h ILE 33 Ca -0.00 0.00 0.33 0.00 -0.00 0.00 0.00 64.86 65.19 1k3g h ILE 33 Cb 0.74 0.81 -0.11 0.00 -0.00 0.00 0.00 36.82 38.26 1k3g h ILE 33 CO 0.03 0.00 0.74 -1.28 -0.00 0.00 0.00 178.15 177.65 1k3g h SER 34 N 0.00 0.35 0.00 2.16 0.87 -1.75 0.20 113.55 115.39 1k3g h SER 34 Ca 0.12 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1k3g h SER 34 Cb 0.61 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1k3g h SER 34 CO -0.00 -0.02 -1.24 0.00 -0.53 0.00 0.00 176.83 175.04 1k3g n HIS 36 N -2.86 0.00 0.00 0.00 8.25 0.37 -0.13 115.22 120.85 1k3g n HIS 36 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1k3g n HIS 36 Cb 0.57 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.15 -0.71 0.33 -1.41 0.00 0.71 -0.36 105.19 103.90 1k3g n GLY 37 Ca 0.05 -1.52 0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.12 -0.74 0.75 -0.02 0.00 -1.25 -0.65 105.19 103.15 1k3g n GLY 38 Ca 0.00 0.78 0.09 0.00 0.00 0.00 0.00 46.02 46.88 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 -5.12 2.65 -1.40 1.61 9.92 -1.26 -4.93 116.55 118.02 1k3g n ASP 39 Ca 0.37 -1.78 -0.16 0.00 -0.53 0.00 0.00 54.79 52.70 1k3g n ASP 39 Cb 1.29 -0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 41.64 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 0.98 -1.33 -0.17 0.64 7.99 0.18 -4.75 117.00 120.55 1k3g n LEU 40 Ca 0.12 0.27 0.14 0.00 -0.01 0.00 0.00 56.01 56.53 1k3g n LEU 40 Cb 0.45 -2.32 0.60 0.00 -0.11 0.00 0.00 43.42 42.04 1k3g n LEU 40 CO 0.11 -0.63 0.87 0.35 -1.51 0.00 0.00 177.39 176.58 1k3g n THR 41 N -2.99 0.00 0.00 -5.08 -2.24 -1.11 -1.45 114.28 101.41 1k3g n THR 41 Ca -0.17 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1k3g n THR 41 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.25 -1.33 1.23 3.38 0.00 0.51 -4.43 105.19 105.79 1k3g n GLY 42 Ca 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.01 1.91 0.36 4.61 0.00 -1.13 -4.65 120.51 121.60 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 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.92 3.45 -3.64 0.00 2.88 0.81 -4.99 113.62 110.20 1k3g n SER 44 Ca 0.00 -2.00 -0.10 0.00 -1.33 0.00 0.00 58.87 55.44 1k3g n SER 44 Cb 0.00 -0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 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 -1.53 -1.12 0.55 -1.46 0.00 -1.12 -4.92 121.76 112.15 1k3g s ALA 45 Ca 0.38 -0.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 1k3g s ALA 45 Cb 0.23 0.83 -0.06 0.00 0.00 0.00 0.00 23.12 24.12 1k3g s ALA 45 CO 0.32 -0.78 1.04 -1.25 0.00 0.00 0.00 175.76 175.09 1k3g s PRO 46 N -3.83 3.55 -0.44 0.00 0.04 -1.26 -4.24 135.00 128.83 1k3g s PRO 46 Ca 0.06 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 1k3g s PRO 46 Cb -0.01 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1k3g s PRO 46 CO -0.07 -0.62 1.42 0.00 0.04 0.00 0.00 177.00 177.77 1k3g s ALA 47 N -2.32 3.00 -2.51 8.56 0.00 -1.26 -4.53 121.76 122.69 1k3g s ALA 47 Ca 0.64 -0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.62 1k3g s ALA 47 Cb -0.15 -3.97 0.87 0.00 0.00 0.00 0.00 23.12 19.87 1k3g s ALA 47 CO 0.31 -2.49 1.64 0.44 0.00 0.00 0.00 175.76 175.65 1k3g n ILE 48 N 7.06 0.06 -0.22 0.00 -5.35 -0.92 -4.23 119.36 115.76 1k3g n ILE 48 Ca 0.16 -0.32 0.06 0.00 -0.27 0.00 0.00 62.75 62.38 1k3g n ILE 48 Cb 0.48 0.61 0.13 0.00 -1.74 0.00 0.00 39.64 39.11 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 0.39 -0.16 -1.84 7.28 2.03 -0.53 -0.21 116.55 123.50 1k3g n ASP 49 Ca 0.18 1.06 -0.21 0.00 0.52 0.00 0.00 54.79 56.34 1k3g n ASP 49 Cb 0.39 -0.35 0.09 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 -4.92 2.82 0.12 -0.67 0.00 -1.26 -3.65 118.16 110.60 1k3g n LYS 50 Ca 0.12 -3.64 -0.13 0.00 -0.00 0.00 0.00 58.31 54.66 1k3g n LYS 50 Cb 0.38 -2.14 -0.08 0.00 -0.00 0.00 0.00 35.03 33.19 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k3g h ALA 51 N 1.76 -0.28 -0.54 0.58 0.00 -0.80 -2.88 119.26 117.10 1k3g h ALA 51 Ca 0.39 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.32 1k3g h ALA 51 Cb 1.41 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1k3g h ALA 51 CO 0.87 -0.55 0.50 0.78 0.00 0.00 0.00 179.25 180.85 1k3g h GLY 52 N -0.48 0.00 1.21 0.00 0.00 -1.38 0.34 103.07 102.75 1k3g h GLY 52 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1k3g h GLY 52 CO 0.05 0.00 0.34 0.00 0.00 0.00 0.00 176.54 176.92 1k3g h ALA 53 N 1.51 1.24 0.00 3.60 0.00 -1.58 -3.39 119.26 120.64 1k3g h ALA 53 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 53 Cb 1.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1k3g h ALA 53 CO -0.00 0.58 -0.66 0.09 0.00 0.00 0.00 179.25 179.25 1k3g n ASN 54 N -4.33 1.47 -4.79 0.00 3.02 0.44 -5.00 115.26 106.08 1k3g n ASN 54 Ca 0.07 0.24 -0.38 0.00 -0.03 0.00 0.00 54.58 54.48 1k3g n ASN 54 Cb 0.14 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.63 1k3g n ASN 54 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1k3g s TYR 55 N -2.43 3.66 0.74 3.10 2.02 0.90 -5.09 117.35 120.25 1k3g s TYR 55 Ca -0.19 1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 57.41 1k3g s TYR 55 Cb 0.03 -2.43 0.04 0.00 -0.40 0.00 0.00 41.96 39.20 1k3g s TYR 55 CO 0.29 0.45 1.11 0.45 -1.57 0.00 0.00 175.55 176.28 1k3g s SER 56 N -0.43 5.06 0.18 2.29 0.15 -1.26 -3.78 113.70 115.92 1k3g s SER 56 Ca 0.26 0.93 -0.23 0.00 0.70 0.00 0.00 55.95 57.61 1k3g s SER 56 Cb -0.17 -1.62 0.09 0.00 -1.71 0.00 0.00 66.02 62.61 1k3g s SER 56 CO 0.13 -1.55 1.57 -0.08 1.20 0.00 0.00 173.24 174.51 1k3g h GLU 57 N -0.77 -0.14 -0.70 5.44 4.22 -1.93 0.93 114.58 121.63 1k3g h GLU 57 Ca -0.45 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.07 1k3g h GLU 57 Cb 1.29 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1k3g h GLU 57 CO 0.64 -0.10 0.46 1.49 -2.18 0.00 0.00 179.01 179.33 1k3g h GLU 58 N -0.15 0.63 -0.01 1.92 4.81 -1.93 0.18 114.58 120.04 1k3g h GLU 58 Ca 0.22 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1k3g h GLU 58 Cb 0.56 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1k3g h GLU 58 CO -0.77 0.42 -0.08 0.93 -0.73 0.00 0.00 179.01 178.78 1k3g h GLU 59 N 0.65 0.07 -0.91 1.92 5.08 -1.34 -2.10 114.58 117.96 1k3g h GLU 59 Ca 0.31 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1k3g h GLU 59 Cb 0.36 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1k3g h GLU 59 CO -0.10 0.76 0.59 0.82 -1.00 0.00 0.00 179.01 180.08 1k3g h ILE 60 N -0.59 1.14 0.12 3.13 2.04 0.00 0.20 117.51 123.56 1k3g h ILE 60 Ca -0.01 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1k3g h ILE 60 Cb 0.78 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1k3g h ILE 60 CO 0.02 0.21 -0.27 0.25 0.00 0.00 0.00 178.15 178.36 1k3g h LEU 61 N 1.14 -0.76 -0.56 1.44 5.85 -0.72 0.94 115.31 122.63 1k3g h LEU 61 Ca 0.37 0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.29 1k3g h LEU 61 Cb 0.02 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1k3g h LEU 61 CO -0.12 -0.36 0.03 -0.78 -0.34 0.00 0.00 178.44 176.87 1k3g h ASP 62 N -0.48 -0.18 0.51 1.25 3.58 -0.55 0.96 116.42 121.51 1k3g h ASP 62 Ca 0.03 0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1k3g h ASP 62 Cb 0.51 0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1k3g h ASP 62 CO -0.16 -0.07 -0.29 0.40 -2.88 0.00 0.00 179.24 176.25 1k3g h ILE 63 N 0.15 0.40 -0.77 2.25 2.04 -0.56 0.14 117.51 121.17 1k3g h ILE 63 Ca 0.29 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.33 1k3g h ILE 63 Cb 0.45 0.40 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 1k3g h ILE 63 CO -0.45 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.24 1k3g h ILE 64 N -0.75 0.42 -0.39 -0.67 2.04 -0.14 0.16 117.51 118.17 1k3g h ILE 64 Ca -0.06 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1k3g h ILE 64 Cb 0.60 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1k3g h ILE 64 CO 0.08 0.04 -0.12 -0.07 0.00 0.00 0.00 178.15 178.07 1k3g h LEU 65 N 0.20 0.68 -2.90 1.44 3.38 -0.41 0.02 115.31 117.73 1k3g h LEU 65 Ca 0.44 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1k3g h LEU 65 Cb 0.80 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 1k3g h LEU 65 CO -0.59 0.83 -0.57 0.59 0.09 0.00 0.00 178.44 178.79 1k3g n ASN 66 N -4.17 1.44 0.00 -0.43 3.02 0.46 -2.11 115.26 113.47 1k3g n ASN 66 Ca 0.01 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.52 1k3g n ASN 66 Cb 0.36 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.60 0.05 0.00 7.41 0.00 0.34 -4.80 105.19 107.58 1k3g n GLY 67 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.27 0.00 0.00 1.61 7.27 -1.07 -4.52 117.38 120.94 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 -0.43 0.63 0.25 1.69 0.00 -1.26 0.27 105.19 106.33 1k3g n GLY 69 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.80 -0.02 0.00 -2.02 -3.43 103.07 92.81 1k3g h GLY 70 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1k3g h GLY 70 CO 0.00 0.00 0.80 -0.29 0.00 0.00 0.00 176.54 177.05 1k3g s MET 71 N -4.60 4.30 0.05 4.80 0.00 0.14 -4.96 119.30 119.03 1k3g s MET 71 Ca -0.04 1.96 -0.28 0.00 0.00 0.00 0.00 55.69 57.32 1k3g s MET 71 Cb 0.15 -3.52 -0.17 0.00 0.00 0.00 0.00 34.83 31.29 1k3g s MET 71 CO 0.65 -0.54 1.48 -1.00 0.00 0.00 0.00 175.02 175.61 1k3g h PRO 72 N 7.64 -0.57 0.00 4.11 0.13 -1.83 -2.82 132.00 138.65 1k3g h PRO 72 Ca -0.38 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1k3g h PRO 72 Cb 1.18 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1k3g h PRO 72 CO 0.89 -0.31 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1k3g n GLY 73 N -0.96 3.24 2.27 1.56 0.00 -1.26 -4.36 105.19 105.67 1k3g n GLY 73 Ca -0.11 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.31 0.64 0.24 -0.02 0.00 -0.01 -4.70 105.19 101.03 1k3g n GLY 74 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 0.90 -2.17 -0.61 1.08 -1.86 -3.40 117.51 111.45 1k3g h ILE 75 Ca -0.24 -0.19 -0.56 0.00 -0.39 0.00 0.00 64.86 63.48 1k3g h ILE 75 Cb 0.92 0.30 -0.10 0.00 -3.07 0.00 0.00 36.82 34.87 1k3g h ILE 75 CO 0.31 0.10 -0.65 0.00 -0.69 0.00 0.00 178.15 177.23 1k3g s ALA 76 N -6.10 3.15 0.19 1.87 0.00 -1.26 -5.05 121.76 114.56 1k3g s ALA 76 Ca -0.13 -1.69 -0.08 0.00 0.00 0.00 0.00 51.96 50.06 1k3g s ALA 76 Cb 0.16 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1k3g s ALA 76 CO 0.75 0.24 0.28 0.21 0.00 0.00 0.00 175.76 177.24 1k3g s LYS 77 N -3.67 1.24 3.40 0.00 2.20 -1.26 -4.52 119.74 117.14 1k3g s LYS 77 Ca 0.32 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 1k3g s LYS 77 Cb -0.06 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1k3g s LYS 77 CO 0.20 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 1k3g n GLY 78 N -0.26 1.23 0.39 5.54 0.00 -1.26 -2.60 105.19 108.23 1k3g n GLY 78 Ca -0.04 -0.56 0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.80 2.07 -0.49 4.61 0.00 -2.00 0.38 119.26 123.03 1k3g h ALA 79 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 79 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1k3g h ALA 79 CO 0.00 -0.47 -0.08 1.49 0.00 0.00 0.00 179.25 180.19 1k3g h GLU 80 N 0.48 0.04 0.03 0.00 4.81 -1.86 0.61 114.58 118.68 1k3g h GLU 80 Ca 0.59 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.77 1k3g h GLU 80 Cb 1.34 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1k3g h GLU 80 CO -0.33 0.02 -0.19 0.00 -0.73 0.00 0.00 179.01 177.79 1k3g h ALA 81 N 1.48 -0.01 -0.26 2.92 0.00 -0.19 -3.19 119.26 120.00 1k3g h ALA 81 Ca 0.24 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1k3g h ALA 81 Cb 0.37 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1k3g h ALA 81 CO -0.48 0.07 -0.11 0.93 0.00 0.00 0.00 179.25 179.66 1k3g h GLU 82 N -0.77 -0.07 -0.20 0.00 5.08 -0.75 0.12 114.58 117.98 1k3g h GLU 82 Ca -0.03 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1k3g h GLU 82 Cb 1.09 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1k3g h GLU 82 CO 0.04 -0.05 0.05 0.00 -1.00 0.00 0.00 179.01 178.05 1k3g h ALA 83 N 1.16 0.21 -0.24 3.43 0.00 -1.04 -1.45 119.26 121.32 1k3g h ALA 83 Ca 0.14 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1k3g h ALA 83 Cb 0.28 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1k3g h ALA 83 CO -0.31 -0.38 -0.04 0.28 0.00 0.00 0.00 179.25 178.80 1k3g h VAL 84 N 0.14 0.78 -0.17 0.00 2.07 -1.32 0.52 116.25 118.26 1k3g h VAL 84 Ca 0.09 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1k3g h VAL 84 Cb 0.07 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1k3g h VAL 84 CO -0.11 0.01 -0.23 0.00 0.02 0.00 0.00 177.57 177.26 1k3g h ALA 85 N 1.23 -0.17 -0.21 1.67 0.00 -0.51 0.18 119.26 121.45 1k3g h ALA 85 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1k3g h ALA 85 Cb 0.17 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1k3g h ALA 85 CO -0.23 -0.68 0.11 0.00 0.00 0.00 0.00 179.25 178.45 1k3g h ALA 86 N 0.73 0.25 -0.18 0.00 0.00 -0.81 0.28 119.26 119.53 1k3g h ALA 86 Ca 0.11 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1k3g h ALA 86 Cb 0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1k3g h ALA 86 CO -0.33 -0.30 -0.06 2.35 0.00 0.00 0.00 179.25 180.91 1k3g h TRP 87 N 0.23 -0.13 -0.44 0.00 7.01 -0.64 -0.47 115.95 121.51 1k3g h TRP 87 Ca 0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1k3g h TRP 87 Cb 0.02 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 1k3g h TRP 87 CO -0.09 -0.09 0.24 -0.07 -2.79 0.00 0.00 178.44 175.63 1k3g h LEU 88 N -0.02 0.53 -0.69 0.65 -0.00 -0.26 -0.14 115.31 115.38 1k3g h LEU 88 Ca 0.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1k3g h LEU 88 Cb 0.16 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 1k3g h LEU 88 CO -0.20 0.43 0.39 0.00 -0.00 0.00 0.00 178.44 179.07 1k3g h ALA 89 N 1.66 0.88 -0.80 1.53 0.00 0.54 -2.08 119.26 121.00 1k3g h ALA 89 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 89 Cb 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1k3g h ALA 89 CO -0.03 0.38 0.52 0.93 0.00 0.00 0.00 179.25 181.06 1k3g h GLU 90 N 0.94 1.03 -6.54 0.00 5.08 0.16 -3.42 114.58 111.84 1k3g h GLU 90 Ca 0.24 -0.06 -0.53 0.00 -1.00 0.00 0.00 59.36 58.01 1k3g h GLU 90 Cb 0.01 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.04 1k3g h GLU 90 CO -0.04 0.68 0.63 0.15 -1.00 0.00 0.00 179.01 179.42 1k3g s LYS 91 N -6.13 4.39 0.00 2.33 1.02 -0.19 -4.99 119.74 116.18 1k3g s LYS 91 Ca -0.13 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.77 1k3g s LYS 91 Cb 0.16 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1k3g s LYS 91 CO 0.79 -0.31 0.00 1.63 -0.92 0.00 0.00 175.35 176.54