#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 5.75 0.23 4.52 1.01 -1.26 -4.87 116.67 122.04 1k3g s ASP 23 Ca 0.00 -0.29 -0.15 0.00 0.71 0.00 0.00 52.55 52.82 1k3g s ASP 23 Cb 0.00 -2.55 0.27 0.00 1.01 0.00 0.00 42.92 41.65 1k3g s ASP 23 CO 0.00 -2.11 1.58 0.00 0.21 0.00 0.00 175.17 174.85 1k3g h ALA 24 N 12.03 0.30 -0.36 5.23 0.00 -1.92 0.68 119.26 135.21 1k3g h ALA 24 Ca -0.18 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 24 Cb 1.08 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1k3g h ALA 24 CO 1.27 -0.53 0.17 0.93 0.00 0.00 0.00 179.25 181.09 1k3g h GLU 25 N -0.05 0.34 -0.49 0.00 5.08 -1.93 -0.26 114.58 117.28 1k3g h GLU 25 Ca 0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1k3g h GLU 25 Cb 0.59 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1k3g h GLU 25 CO -0.84 0.23 0.32 0.00 -1.00 0.00 0.00 179.01 177.72 1k3g h ALA 26 N 1.20 0.62 0.52 3.43 0.00 -1.36 0.18 119.26 123.85 1k3g h ALA 26 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1k3g h ALA 26 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1k3g h ALA 26 CO -0.12 0.07 -0.37 0.28 0.00 0.00 0.00 179.25 179.11 1k3g h VAL 27 N 0.67 0.24 -0.54 0.00 2.07 -0.64 -2.25 116.25 115.79 1k3g h VAL 27 Ca 0.18 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1k3g h VAL 27 Cb -0.07 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 1k3g h VAL 27 CO -0.04 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.35 1k3g h VAL 28 N -0.87 0.84 -0.60 2.57 2.07 -0.69 0.21 116.25 119.79 1k3g h VAL 28 Ca -0.06 -0.14 0.17 0.00 0.82 0.00 0.00 66.70 67.49 1k3g h VAL 28 Cb 0.73 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1k3g h VAL 28 CO 0.02 0.08 0.63 1.56 0.02 0.00 0.00 177.57 179.88 1k3g h GLN 29 N 0.41 0.00 -1.93 1.57 1.08 -0.49 -0.74 115.11 115.01 1k3g h GLN 29 Ca 0.26 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.93 1k3g h GLN 29 Cb 0.27 0.00 -0.38 0.00 -0.05 0.00 0.00 27.48 27.31 1k3g h GLN 29 CO -0.24 0.00 -1.11 1.04 -0.95 0.00 0.00 178.83 177.56 1k3g n GLN 30 N -3.65 0.78 0.00 1.46 6.02 0.64 -4.74 117.38 117.90 1k3g n GLN 30 Ca 0.12 -3.22 0.00 0.00 -0.01 0.00 0.00 57.00 53.89 1k3g n GLN 30 Cb 0.85 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.76 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 1.10 0.00 -0.09 -1.09 5.02 -0.59 -4.87 118.16 117.64 1k3g n LYS 31 Ca 0.22 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.33 1k3g n LYS 31 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.52 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 -0.80 0.60 -0.76 0.00 -0.00 -1.55 -0.05 117.51 114.94 1k3g h ILE 33 Ca -0.35 0.00 0.28 0.00 -0.00 0.00 0.00 64.86 64.79 1k3g h ILE 33 Cb 1.23 0.76 -0.14 0.00 -0.00 0.00 0.00 36.82 38.68 1k3g h ILE 33 CO -0.21 0.00 0.28 -1.20 -0.00 0.00 0.00 178.15 177.02 1k3g n SER 34 N -4.09 0.15 -0.04 2.16 7.64 -1.26 0.41 113.62 118.59 1k3g n SER 34 Ca 0.06 1.27 -0.05 0.00 1.01 0.00 0.00 58.87 61.16 1k3g n SER 34 Cb 0.50 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.51 0.05 0.00 0.00 8.25 -0.19 -0.60 115.22 120.21 1k3g n HIS 36 Ca -0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1k3g n HIS 36 Cb 0.71 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 0.82 1.04 0.91 -1.41 0.00 0.17 -0.95 105.19 105.76 1k3g n GLY 37 Ca 0.12 -0.73 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 -0.29 1.05 -0.02 0.00 -1.26 -4.52 105.19 100.15 1k3g n GLY 38 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1k3g n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k3g n ASP 39 N -2.00 3.35 -0.00 1.61 2.03 -1.26 -4.94 116.55 115.34 1k3g n ASP 39 Ca 0.00 -1.95 -0.00 0.00 0.52 0.00 0.00 54.79 53.36 1k3g n ASP 39 Cb 0.00 -0.27 -0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1k3g n LEU 40 N 1.30 0.07 0.01 -2.67 4.77 -1.20 -4.70 117.00 114.57 1k3g n LEU 40 Ca 0.18 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.27 1k3g n LEU 40 Cb 0.55 -0.65 0.46 0.00 -2.33 0.00 0.00 43.42 41.45 1k3g n LEU 40 CO 0.14 -0.08 0.84 0.35 -1.33 0.00 0.00 177.39 177.32 1k3g n THR 41 N -2.93 0.53 0.00 -5.08 -2.24 -1.20 -0.71 114.28 102.65 1k3g n THR 41 Ca -0.00 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1k3g n THR 41 Cb 0.04 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 0.72 0.69 0.03 3.38 0.00 -0.13 -4.30 105.19 105.58 1k3g n GLY 42 Ca 0.05 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.74 0.00 1.24 4.61 0.00 -1.18 -4.31 120.51 121.62 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 0.40 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.01 1.86 -3.78 0.00 7.64 0.23 -4.95 113.62 113.61 1k3g n SER 44 Ca 0.00 -1.67 -0.10 0.00 1.01 0.00 0.00 58.87 58.11 1k3g n SER 44 Cb 0.00 -0.06 -0.04 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 -0.78 0.80 -0.43 0.00 -1.14 -4.98 121.76 113.36 1k3g s ALA 45 Ca 0.35 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 1k3g s ALA 45 Cb 0.20 0.85 0.08 0.00 0.00 0.00 0.00 23.12 24.24 1k3g s ALA 45 CO 0.30 -0.78 1.11 -1.25 0.00 0.00 0.00 175.76 175.14 1k3g s PRO 46 N -3.89 1.97 -0.27 0.00 0.04 -1.26 -4.40 135.00 127.19 1k3g s PRO 46 Ca 0.10 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1k3g s PRO 46 Cb -0.00 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 1k3g s PRO 46 CO -0.02 -1.88 1.35 0.00 0.04 0.00 0.00 177.00 176.49 1k3g s ALA 47 N -2.81 3.38 -2.40 8.56 0.00 -1.26 -4.39 121.76 122.84 1k3g s ALA 47 Ca 0.63 0.20 0.21 0.00 0.00 0.00 0.00 51.96 53.00 1k3g s ALA 47 Cb -0.19 -3.77 0.27 0.00 0.00 0.00 0.00 23.12 19.43 1k3g s ALA 47 CO 0.56 -1.73 1.24 0.44 0.00 0.00 0.00 175.76 176.27 1k3g n ILE 48 N 6.15 0.25 -0.25 0.00 -5.35 -0.29 -4.50 119.36 115.36 1k3g n ILE 48 Ca 0.15 -0.62 0.06 0.00 -0.27 0.00 0.00 62.75 62.07 1k3g n ILE 48 Cb 0.46 1.20 0.14 0.00 -1.74 0.00 0.00 39.64 39.70 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 1.24 -0.20 -1.33 7.28 2.03 0.11 -0.51 116.55 125.17 1k3g n ASP 49 Ca 0.15 1.23 -0.03 0.00 0.52 0.00 0.00 54.79 56.65 1k3g n ASP 49 Cb 0.54 -0.40 0.23 0.00 -0.72 0.00 0.00 41.12 40.77 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 -5.10 2.44 -0.26 -0.67 2.85 -1.26 -3.79 118.16 112.37 1k3g n LYS 50 Ca 0.13 -3.06 0.05 0.00 -1.05 0.00 0.00 58.31 54.39 1k3g n LYS 50 Cb 0.42 -1.92 0.19 0.00 -0.65 0.00 0.00 35.03 33.07 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 1.44 1.06 -0.41 0.58 0.00 -0.96 0.84 119.26 121.82 1k3g h ALA 51 Ca 0.22 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.36 1k3g h ALA 51 Cb 1.84 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1k3g h ALA 51 CO 0.48 -0.20 0.45 0.78 0.00 0.00 0.00 179.25 180.75 1k3g h GLY 52 N 0.45 0.00 0.85 0.00 0.00 -1.15 0.22 103.07 103.43 1k3g h GLY 52 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.47 1k3g h GLY 52 CO -0.40 0.00 -1.30 0.00 0.00 0.00 0.00 176.54 174.84 1k3g h ALA 53 N 1.49 -0.00 -0.12 3.60 0.00 -1.01 -3.38 119.26 119.83 1k3g h ALA 53 Ca 0.19 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1k3g h ALA 53 Cb 1.09 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1k3g h ALA 53 CO -0.00 0.68 0.04 -0.91 0.00 0.00 0.00 179.25 179.06 1k3g h ASN 54 N -0.14 0.18 -4.46 0.00 4.21 -0.51 -3.46 115.58 111.40 1k3g h ASN 54 Ca -0.25 -0.19 -0.17 0.00 1.21 0.00 0.00 56.30 56.91 1k3g h ASN 54 Cb 1.89 -0.05 -0.23 0.00 -1.12 0.00 0.00 38.32 38.82 1k3g h ASN 54 CO 0.17 0.31 -0.53 -0.31 -1.29 0.00 0.00 177.43 175.79 1k3g s TYR 55 N -5.46 -0.04 0.89 1.19 2.02 0.54 -5.11 117.35 111.38 1k3g s TYR 55 Ca -0.14 0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.52 1k3g s TYR 55 Cb 0.06 -0.01 0.12 0.00 -0.40 0.00 0.00 41.96 41.73 1k3g s TYR 55 CO 0.69 -0.19 1.13 -1.12 -1.57 0.00 0.00 175.55 174.50 1k3g s SER 56 N -0.75 3.73 0.18 2.29 0.01 -1.26 -3.83 113.70 114.06 1k3g s SER 56 Ca -0.08 1.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.94 1k3g s SER 56 Cb -0.05 -1.60 0.07 0.00 0.21 0.00 0.00 66.02 64.65 1k3g s SER 56 CO 0.01 -2.42 1.57 -0.08 0.41 0.00 0.00 173.24 172.73 1k3g h GLU 57 N -1.40 -0.17 -0.68 12.44 4.81 -1.90 0.14 114.58 127.82 1k3g h GLU 57 Ca -0.50 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 58.94 1k3g h GLU 57 Cb 1.32 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1k3g h GLU 57 CO 0.62 -0.11 0.49 0.93 -0.73 0.00 0.00 179.01 180.21 1k3g h GLU 58 N -0.17 0.00 0.02 1.92 5.08 -1.93 0.28 114.58 119.78 1k3g h GLU 58 Ca 0.21 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 1k3g h GLU 58 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1k3g h GLU 58 CO -0.74 0.00 -0.98 0.93 -1.00 0.00 0.00 179.01 177.21 1k3g h GLU 59 N 0.00 0.04 -0.43 2.33 4.39 -1.21 -2.98 114.58 116.71 1k3g h GLU 59 Ca 0.32 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.99 1k3g h GLU 59 Cb 1.31 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.95 1k3g h GLU 59 CO -0.00 1.03 0.21 0.82 -1.16 0.00 0.00 179.01 179.91 1k3g h ILE 60 N -0.87 0.96 -0.51 3.13 2.04 -0.31 -0.59 117.51 121.35 1k3g h ILE 60 Ca -0.26 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.55 1k3g h ILE 60 Cb 1.31 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 1k3g h ILE 60 CO -0.11 0.08 0.09 0.25 0.00 0.00 0.00 178.15 178.45 1k3g h LEU 61 N 0.42 -0.03 -0.46 1.44 5.85 -0.61 0.27 115.31 122.19 1k3g h LEU 61 Ca 0.19 0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1k3g h LEU 61 Cb 0.10 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1k3g h LEU 61 CO -0.14 0.01 0.15 -0.78 -0.34 0.00 0.00 178.44 177.34 1k3g h ASP 62 N 0.22 0.14 -0.65 1.25 3.58 -1.10 0.24 116.42 120.10 1k3g h ASP 62 Ca 0.26 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 1k3g h ASP 62 Cb 0.36 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 1k3g h ASP 62 CO -0.35 0.11 0.40 0.40 -2.88 0.00 0.00 179.24 176.92 1k3g h ILE 63 N 0.32 1.18 -0.33 2.25 2.04 0.41 0.29 117.51 123.67 1k3g h ILE 63 Ca 0.22 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1k3g h ILE 63 Cb 0.23 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1k3g h ILE 63 CO -0.24 0.19 -0.25 0.40 0.00 0.00 0.00 178.15 178.25 1k3g h ILE 64 N 0.90 1.29 0.00 -0.67 2.04 0.72 -0.47 117.51 121.32 1k3g h ILE 64 Ca 0.24 -1.40 -0.11 0.00 1.00 0.00 0.00 64.86 64.58 1k3g h ILE 64 Cb -0.05 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1k3g h ILE 64 CO -0.05 0.46 -0.54 -0.07 0.00 0.00 0.00 178.15 177.95 1k3g h LEU 65 N 0.53 0.00 -2.62 1.44 3.38 -0.02 -2.72 115.31 115.30 1k3g h LEU 65 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1k3g h LEU 65 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1k3g h LEU 65 CO 0.07 0.54 -0.05 0.59 0.09 0.00 0.00 178.44 179.68 1k3g n ASN 66 N -3.39 1.63 0.00 -0.43 3.02 0.98 -3.06 115.26 114.02 1k3g n ASN 66 Ca 0.01 -2.23 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 1k3g n ASN 66 Cb 0.68 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.69 1.25 0.00 7.41 0.00 -0.19 -4.34 105.19 108.63 1k3g n GLY 67 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 14.00 0.00 0.00 1.61 7.27 0.13 -4.53 117.38 135.86 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 0.00 2.12 0.29 1.69 0.00 -1.26 0.03 105.19 108.06 1k3g n GLY 69 Ca 0.00 0.42 0.17 0.00 0.00 0.00 0.00 46.02 46.61 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 -5.30 -0.02 0.00 -2.01 -3.42 103.07 92.32 1k3g h GLY 70 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1k3g h GLY 70 CO 0.00 0.00 0.79 -0.29 0.00 0.00 0.00 176.54 177.04 1k3g s MET 71 N -4.06 4.20 -0.14 4.80 0.00 0.10 -5.02 119.30 119.19 1k3g s MET 71 Ca -0.03 1.25 -0.29 0.00 0.00 0.00 0.00 55.69 56.62 1k3g s MET 71 Cb 0.12 -3.67 -0.01 0.00 0.00 0.00 0.00 34.83 31.27 1k3g s MET 71 CO 0.52 -0.70 1.12 -1.25 0.00 0.00 0.00 175.02 174.70 1k3g s PRO 72 N 3.31 4.32 0.20 4.11 0.04 -1.26 -0.69 135.00 145.03 1k3g s PRO 72 Ca 0.44 1.51 -0.32 0.00 0.04 0.00 0.00 61.00 62.67 1k3g s PRO 72 Cb -0.14 -3.62 -0.13 0.00 0.04 0.00 0.00 34.50 30.65 1k3g s PRO 72 CO 0.09 -0.52 1.60 0.41 0.04 0.00 0.00 177.00 178.63 1k3g n GLY 73 N 3.33 1.24 0.91 0.56 0.00 -1.26 -3.64 105.19 106.34 1k3g n GLY 73 Ca 0.11 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 3.26 0.94 0.32 -0.02 0.00 -1.03 -4.72 105.19 103.95 1k3g n GLY 74 Ca 0.15 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -2.28 -0.61 2.04 -1.62 -3.44 117.51 111.59 1k3g h ILE 75 Ca 0.00 -0.30 -0.46 0.00 1.00 0.00 0.00 64.86 65.11 1k3g h ILE 75 Cb 0.62 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1k3g h ILE 75 CO 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.81 1k3g s ALA 76 N -4.54 3.93 0.15 1.87 0.00 -1.26 -5.08 121.76 116.83 1k3g s ALA 76 Ca -0.11 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.57 1k3g s ALA 76 Cb 0.01 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 1k3g s ALA 76 CO 0.34 0.09 0.25 0.15 0.00 0.00 0.00 175.76 176.58 1k3g s LYS 77 N -4.13 1.08 3.01 0.00 1.02 -1.26 -4.60 119.74 114.86 1k3g s LYS 77 Ca 0.38 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1k3g s LYS 77 Cb -0.09 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1k3g s LYS 77 CO 0.31 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1k3g n GLY 78 N -0.18 1.48 0.41 -3.33 0.00 -1.26 -1.67 105.19 100.64 1k3g n GLY 78 Ca -0.09 -0.50 0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 2.50 -0.59 4.61 0.00 -2.00 0.32 119.26 123.46 1k3g h ALA 79 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 79 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1k3g h ALA 79 CO 0.00 -0.71 0.20 1.49 0.00 0.00 0.00 179.25 180.23 1k3g h GLU 80 N 0.13 0.35 0.02 0.00 4.81 -1.69 0.15 114.58 118.35 1k3g h GLU 80 Ca 0.36 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1k3g h GLU 80 Cb 1.22 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1k3g h GLU 80 CO -0.05 0.23 -0.01 0.00 -0.73 0.00 0.00 179.01 178.46 1k3g h ALA 81 N 1.42 -0.02 -0.00 2.92 0.00 -0.03 -3.26 119.26 120.29 1k3g h ALA 81 Ca 0.30 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1k3g h ALA 81 Cb 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1k3g h ALA 81 CO -0.32 -0.04 -0.11 0.93 0.00 0.00 0.00 179.25 179.71 1k3g h GLU 82 N -0.95 -0.18 -0.47 0.00 5.08 -0.82 0.78 114.58 118.01 1k3g h GLU 82 Ca -0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1k3g h GLU 82 Cb 0.74 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1k3g h GLU 82 CO 0.00 -0.12 0.29 0.00 -1.00 0.00 0.00 179.01 178.18 1k3g h ALA 83 N 0.78 0.59 0.06 3.43 0.00 -0.89 -0.19 119.26 123.04 1k3g h ALA 83 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1k3g h ALA 83 Cb 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1k3g h ALA 83 CO -0.11 -0.01 -0.19 0.28 0.00 0.00 0.00 179.25 179.22 1k3g h VAL 84 N 0.58 0.57 -0.34 0.00 2.07 -1.49 0.87 116.25 118.49 1k3g h VAL 84 Ca 0.18 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1k3g h VAL 84 Cb -0.01 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 1k3g h VAL 84 CO -0.07 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.40 1k3g h ALA 85 N 0.52 0.18 -0.47 1.67 0.00 -0.39 0.24 119.26 121.01 1k3g h ALA 85 Ca 0.04 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 85 Cb 0.38 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1k3g h ALA 85 CO -0.13 -0.49 0.28 0.00 0.00 0.00 0.00 179.25 178.90 1k3g h ALA 86 N 1.27 0.59 -0.19 0.00 0.00 -0.75 0.32 119.26 120.50 1k3g h ALA 86 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 86 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1k3g h ALA 86 CO -0.38 0.09 0.13 2.35 0.00 0.00 0.00 179.25 181.44 1k3g h TRP 87 N 0.62 0.24 0.00 0.00 7.01 -0.41 -1.05 115.95 122.35 1k3g h TRP 87 Ca 0.17 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 1k3g h TRP 87 Cb 0.01 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1k3g h TRP 87 CO -0.03 0.15 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.62 1k3g h LEU 88 N 0.26 0.00 -0.41 0.65 -0.00 -0.03 -0.43 115.31 115.35 1k3g h LEU 88 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 1k3g h LEU 88 Cb -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 1k3g h LEU 88 CO -0.02 0.08 0.04 0.00 -0.00 0.00 0.00 178.44 178.54 1k3g h ALA 89 N 1.92 0.54 -0.69 1.53 0.00 0.76 -1.47 119.26 121.86 1k3g h ALA 89 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1k3g h ALA 89 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1k3g h ALA 89 CO 0.01 0.29 0.35 1.05 0.00 0.00 0.00 179.25 180.95 1k3g h GLU 90 N 0.53 0.99 -6.23 0.00 4.11 -0.00 -3.41 114.58 110.56 1k3g h GLU 90 Ca 0.12 -0.14 -0.55 0.00 0.07 0.00 0.00 59.36 58.86 1k3g h GLU 90 Cb 0.42 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1k3g h GLU 90 CO 0.01 0.77 1.03 0.15 0.07 0.00 0.00 179.01 181.04 1k3g s LYS 91 N -5.75 4.19 0.00 1.06 1.02 -0.30 -4.96 119.74 115.00 1k3g s LYS 91 Ca -0.13 2.03 0.00 0.00 0.02 0.00 0.00 55.97 57.90 1k3g s LYS 91 Cb 0.14 -3.92 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 1k3g s LYS 91 CO 0.80 -0.81 0.00 1.63 -0.92 0.00 0.00 175.35 176.05