#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 6.36 0.18 4.52 1.01 -1.26 -4.89 116.67 122.58 1k3g s ASP 23 Ca 0.00 0.93 -0.20 0.00 0.71 0.00 0.00 52.55 53.99 1k3g s ASP 23 Cb 0.00 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.50 1k3g s ASP 23 CO 0.00 -1.40 1.61 0.00 0.21 0.00 0.00 175.17 175.60 1k3g h ALA 24 N 10.63 0.04 -0.60 5.23 0.00 -1.93 0.86 119.26 133.49 1k3g h ALA 24 Ca -0.28 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1k3g h ALA 24 Cb 1.11 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1k3g h ALA 24 CO 1.07 -0.61 0.37 0.93 0.00 0.00 0.00 179.25 181.01 1k3g h GLU 25 N -0.16 0.71 -0.64 0.00 5.08 -1.93 -0.88 114.58 116.76 1k3g h GLU 25 Ca 0.21 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1k3g h GLU 25 Cb 0.49 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1k3g h GLU 25 CO -0.56 0.47 0.38 0.00 -1.00 0.00 0.00 179.01 178.30 1k3g h ALA 26 N 1.26 0.81 0.46 3.43 0.00 -1.50 0.18 119.26 123.90 1k3g h ALA 26 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 26 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1k3g h ALA 26 CO -0.10 0.30 -0.29 0.28 0.00 0.00 0.00 179.25 179.44 1k3g h VAL 27 N 0.86 0.39 -0.64 0.00 2.07 -0.47 -2.37 116.25 116.10 1k3g h VAL 27 Ca 0.23 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.83 1k3g h VAL 27 Cb -0.01 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 1k3g h VAL 27 CO -0.04 0.00 0.28 0.58 0.02 0.00 0.00 177.57 178.41 1k3g h VAL 28 N -0.72 0.82 -0.53 2.57 2.07 -0.76 0.26 116.25 119.95 1k3g h VAL 28 Ca -0.05 -0.17 0.15 0.00 0.82 0.00 0.00 66.70 67.45 1k3g h VAL 28 Cb 0.60 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1k3g h VAL 28 CO 0.04 0.09 0.54 1.56 0.02 0.00 0.00 177.57 179.83 1k3g h GLN 29 N 0.50 0.00 -1.88 1.57 1.08 -0.47 -0.05 115.11 115.85 1k3g h GLN 29 Ca 0.31 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 57.05 1k3g h GLN 29 Cb 0.34 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.37 1k3g h GLN 29 CO -0.27 0.00 -1.20 1.04 -0.95 0.00 0.00 178.83 177.45 1k3g n GLN 30 N -3.74 0.99 0.00 1.46 6.02 0.74 -4.74 117.38 118.10 1k3g n GLN 30 Ca 0.10 -3.37 0.00 0.00 -0.01 0.00 0.00 57.00 53.73 1k3g n GLN 30 Cb 0.75 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.35 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 0.24 0.00 -0.13 -1.09 5.02 -0.26 -4.91 118.16 117.03 1k3g n LYS 31 Ca 0.23 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.27 1k3g n LYS 31 Cb 0.68 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.60 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 0.57 -1.03 0.00 -0.00 -1.27 0.13 117.51 114.92 1k3g h ILE 33 Ca -0.55 0.00 0.40 0.00 -0.00 0.00 0.00 64.86 64.70 1k3g h ILE 33 Cb 1.47 0.85 -0.15 0.00 -0.00 0.00 0.00 36.82 39.00 1k3g h ILE 33 CO -0.34 0.00 0.61 -1.20 -0.00 0.00 0.00 178.15 177.22 1k3g n SER 34 N -3.97 0.26 0.00 2.16 7.64 -1.26 -0.31 113.62 118.15 1k3g n SER 34 Ca 0.02 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.29 1k3g n SER 34 Cb 0.32 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.10 -0.12 115.22 120.71 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 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.25 -1.27 0.42 -1.41 0.00 0.58 -0.99 105.19 102.77 1k3g n GLY 37 Ca 0.05 -1.44 0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 1.44 -0.67 -0.02 0.00 -1.95 0.67 103.07 102.54 1k3g h GLY 38 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1k3g h GLY 38 CO 0.00 -0.35 -0.31 1.22 0.00 0.00 0.00 176.54 177.10 1k3g n ASP 39 N -4.76 1.78 -0.26 0.19 9.92 -1.26 -4.95 116.55 117.22 1k3g n ASP 39 Ca 0.33 -1.38 -0.03 0.00 -0.53 0.00 0.00 54.79 53.18 1k3g n ASP 39 Cb 1.19 0.27 -0.01 0.00 -0.64 0.00 0.00 41.12 41.92 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 -0.03 0.12 -0.21 0.64 4.77 0.23 -4.84 117.00 117.68 1k3g n LEU 40 Ca 0.12 0.08 0.14 0.00 -0.03 0.00 0.00 56.01 56.32 1k3g n LEU 40 Cb 0.44 -1.62 0.61 0.00 -2.33 0.00 0.00 43.42 40.52 1k3g n LEU 40 CO 0.25 -0.55 0.88 0.35 -1.33 0.00 0.00 177.39 176.99 1k3g n THR 41 N -2.53 0.00 -0.02 -5.08 -2.24 -1.16 -1.72 114.28 101.52 1k3g n THR 41 Ca -0.03 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1k3g n THR 41 Cb 0.30 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.21 -1.36 0.27 3.38 0.00 -0.16 -4.34 105.19 104.20 1k3g n GLY 42 Ca 0.17 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.90 2.16 1.20 4.61 0.00 -1.14 -4.79 120.51 123.45 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 0.38 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.24 1.80 -3.85 0.00 2.88 0.82 -4.95 113.62 109.09 1k3g n SER 44 Ca 0.00 -1.70 -0.09 0.00 -1.33 0.00 0.00 58.87 55.75 1k3g n SER 44 Cb 0.00 -0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.33 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 -1.81 -0.84 1.04 -1.46 0.00 -1.13 -4.94 121.76 112.62 1k3g s ALA 45 Ca 0.34 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 1k3g s ALA 45 Cb 0.18 0.92 0.21 0.00 0.00 0.00 0.00 23.12 24.43 1k3g s ALA 45 CO 0.28 -0.90 1.07 -1.25 0.00 0.00 0.00 175.76 174.96 1k3g s PRO 46 N -3.93 0.11 -0.16 0.00 0.04 -1.26 -4.31 135.00 125.50 1k3g s PRO 46 Ca 0.14 0.66 -0.25 0.00 0.04 0.00 0.00 61.00 61.59 1k3g s PRO 46 Cb -0.03 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 1k3g s PRO 46 CO 0.04 -2.98 0.79 0.00 0.04 0.00 0.00 177.00 174.89 1k3g s ALA 47 N -2.81 3.49 -2.93 8.56 0.00 -1.26 -4.15 121.76 122.66 1k3g s ALA 47 Ca 0.66 0.02 0.23 0.00 0.00 0.00 0.00 51.96 52.87 1k3g s ALA 47 Cb -0.20 -3.17 0.19 0.00 0.00 0.00 0.00 23.12 19.94 1k3g s ALA 47 CO 0.60 -0.57 1.25 0.44 0.00 0.00 0.00 175.76 177.48 1k3g n ILE 48 N 4.61 0.01 -0.29 0.00 -5.35 -0.72 -4.51 119.36 113.10 1k3g n ILE 48 Ca 0.03 -0.50 0.14 0.00 -0.27 0.00 0.00 62.75 62.14 1k3g n ILE 48 Cb 0.49 1.48 0.27 0.00 -1.74 0.00 0.00 39.64 40.14 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 1.32 -0.06 -1.99 7.28 2.03 -0.70 -0.40 116.55 124.04 1k3g n ASP 49 Ca 0.14 1.43 -0.24 0.00 0.52 0.00 0.00 54.79 56.64 1k3g n ASP 49 Cb 0.59 -0.54 0.06 0.00 -0.72 0.00 0.00 41.12 40.51 1k3g n ASP 49 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k3g n LYS 50 N -5.19 3.17 0.04 -0.67 5.02 -1.26 -4.40 118.16 114.87 1k3g n LYS 50 Ca 0.21 -3.84 -0.12 0.00 -2.02 0.00 0.00 58.31 52.54 1k3g n LYS 50 Cb 0.69 -2.22 -0.07 0.00 -0.02 0.00 0.00 35.03 33.40 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k3g h ALA 51 N 2.00 -0.01 -0.36 7.82 0.00 -0.89 -2.48 119.26 125.34 1k3g h ALA 51 Ca 0.41 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.39 1k3g h ALA 51 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1k3g h ALA 51 CO 0.92 -0.48 0.36 0.78 0.00 0.00 0.00 179.25 180.83 1k3g h GLY 52 N -0.06 0.00 0.68 0.00 0.00 -1.07 0.21 103.07 102.83 1k3g h GLY 52 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1k3g h GLY 52 CO 0.00 0.00 -0.97 0.00 0.00 0.00 0.00 176.54 175.57 1k3g h ALA 53 N 1.61 -0.04 -0.17 3.60 0.00 -1.63 -3.37 119.26 119.27 1k3g h ALA 53 Ca 0.17 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1k3g h ALA 53 Cb 0.90 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1k3g h ALA 53 CO -0.00 0.48 0.08 -0.91 0.00 0.00 0.00 179.25 178.91 1k3g h ASN 54 N -0.34 0.21 -4.37 0.00 2.35 -0.54 -3.46 115.58 109.44 1k3g h ASN 54 Ca -0.18 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.27 1k3g h ASN 54 Cb 1.69 -0.05 -0.24 0.00 0.05 0.00 0.00 38.32 39.76 1k3g h ASN 54 CO 0.14 0.26 -0.65 -0.31 -1.65 0.00 0.00 177.43 175.22 1k3g s TYR 55 N -5.77 0.07 0.77 1.19 2.02 0.55 -5.11 117.35 111.07 1k3g s TYR 55 Ca -0.13 -0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 1k3g s TYR 55 Cb 0.07 -0.07 0.05 0.00 -0.40 0.00 0.00 41.96 41.62 1k3g s TYR 55 CO 0.70 -0.12 1.13 -1.12 -1.57 0.00 0.00 175.55 174.56 1k3g s SER 56 N -0.71 4.84 0.20 2.29 0.01 -1.26 -3.83 113.70 115.24 1k3g s SER 56 Ca -0.08 1.03 -0.19 0.00 1.31 0.00 0.00 55.95 58.02 1k3g s SER 56 Cb -0.05 -1.70 0.17 0.00 0.21 0.00 0.00 66.02 64.66 1k3g s SER 56 CO -0.00 -1.72 1.58 -0.08 0.41 0.00 0.00 173.24 173.43 1k3g h GLU 57 N -0.92 -0.10 -0.93 12.44 4.81 -1.90 0.12 114.58 128.11 1k3g h GLU 57 Ca -0.46 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1k3g h GLU 57 Cb 1.29 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.59 1k3g h GLU 57 CO 0.64 -0.07 0.51 1.05 -0.73 0.00 0.00 179.01 180.41 1k3g h GLU 58 N -0.10 0.63 -0.01 1.92 4.11 -1.93 0.27 114.58 119.47 1k3g h GLU 58 Ca 0.28 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.63 1k3g h GLU 58 Cb 0.57 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1k3g h GLU 58 CO -0.78 0.42 -0.14 0.93 0.07 0.00 0.00 179.01 179.51 1k3g h GLU 59 N 0.65 0.12 -0.31 1.06 5.08 -1.21 -1.93 114.58 118.03 1k3g h GLU 59 Ca 0.53 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1k3g h GLU 59 Cb 0.83 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1k3g h GLU 59 CO -0.40 0.82 0.19 0.82 -1.00 0.00 0.00 179.01 179.44 1k3g h ILE 60 N -0.55 1.11 -0.17 3.13 2.04 -0.35 0.12 117.51 122.84 1k3g h ILE 60 Ca -0.01 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.66 1k3g h ILE 60 Cb 0.86 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1k3g h ILE 60 CO 0.03 0.10 -0.26 0.25 0.00 0.00 0.00 178.15 178.27 1k3g h LEU 61 N 0.41 -0.81 -0.43 1.44 5.85 -0.55 0.23 115.31 121.45 1k3g h LEU 61 Ca 0.11 0.13 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1k3g h LEU 61 Cb 0.00 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1k3g h LEU 61 CO -0.02 -0.30 0.03 -0.78 -0.34 0.00 0.00 178.44 177.02 1k3g h ASP 62 N -0.31 -0.12 0.15 1.25 1.82 -0.81 0.13 116.42 118.53 1k3g h ASP 62 Ca 0.11 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 1k3g h ASP 62 Cb 0.48 0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.64 1k3g h ASP 62 CO -0.35 -0.03 -0.07 0.40 -1.61 0.00 0.00 179.24 177.59 1k3g h ILE 63 N 0.14 0.71 0.02 2.25 2.04 0.46 0.35 117.51 123.48 1k3g h ILE 63 Ca 0.21 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1k3g h ILE 63 Cb 0.30 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1k3g h ILE 63 CO -0.33 0.07 -0.01 0.40 0.00 0.00 0.00 178.15 178.28 1k3g h ILE 64 N 0.00 1.49 -0.22 -0.67 2.04 0.64 -2.78 117.51 118.01 1k3g h ILE 64 Ca -0.00 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.12 1k3g h ILE 64 Cb 0.17 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1k3g h ILE 64 CO 0.01 0.43 0.01 -0.07 0.00 0.00 0.00 178.15 178.52 1k3g h LEU 65 N -0.78 0.30 -2.60 1.44 3.38 0.31 0.11 115.31 117.46 1k3g h LEU 65 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1k3g h LEU 65 Cb 0.72 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1k3g h LEU 65 CO 0.00 0.35 -0.21 0.59 0.09 0.00 0.00 178.44 179.27 1k3g n ASN 66 N -4.36 1.40 0.00 -0.43 3.02 0.11 -2.26 115.26 112.74 1k3g n ASN 66 Ca 0.00 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1k3g n ASN 66 Cb 0.19 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.86 1.02 0.00 7.41 0.00 -1.05 -4.70 105.19 107.02 1k3g n GLY 67 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 9.67 0.00 0.00 1.61 7.27 -0.51 -4.49 117.38 130.93 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 -0.77 0.86 0.24 1.69 0.00 -1.26 0.37 105.19 106.33 1k3g n GLY 69 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 0.04 -5.07 -0.02 0.00 -2.02 -3.42 103.07 92.58 1k3g h GLY 70 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 47.33 46.76 1k3g h GLY 70 CO 0.00 0.02 0.94 -0.29 0.00 0.00 0.00 176.54 177.21 1k3g s MET 71 N -4.82 4.23 0.04 4.80 0.00 0.16 -4.96 119.30 118.75 1k3g s MET 71 Ca -0.05 1.97 -0.31 0.00 0.00 0.00 0.00 55.69 57.31 1k3g s MET 71 Cb 0.16 -3.77 -0.18 0.00 0.00 0.00 0.00 34.83 31.05 1k3g s MET 71 CO 0.69 -0.71 1.39 -1.00 0.00 0.00 0.00 175.02 175.40 1k3g h PRO 72 N 8.53 -0.93 0.00 4.11 0.13 -1.83 -1.36 132.00 140.65 1k3g h PRO 72 Ca -0.36 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1k3g h PRO 72 Cb 1.16 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1k3g h PRO 72 CO 0.94 -0.60 0.00 0.41 -0.23 0.00 0.00 178.00 178.52 1k3g n GLY 73 N -1.10 3.47 2.26 1.56 0.00 -1.26 -4.25 105.19 105.86 1k3g n GLY 73 Ca -0.13 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.88 0.89 0.30 -0.02 0.00 0.38 -4.67 105.19 101.19 1k3g n GLY 74 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 0.27 -2.58 -0.61 2.04 -1.87 -3.40 117.51 111.37 1k3g h ILE 75 Ca -0.20 0.00 -0.57 0.00 1.00 0.00 0.00 64.86 65.09 1k3g h ILE 75 Cb 0.73 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.99 1k3g h ILE 75 CO 0.28 0.00 -0.62 0.00 0.00 0.00 0.00 178.15 177.81 1k3g s ALA 76 N -6.10 3.30 0.08 1.87 0.00 -1.26 -5.06 121.76 114.59 1k3g s ALA 76 Ca -0.14 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.31 1k3g s ALA 76 Cb 0.17 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1k3g s ALA 76 CO 0.71 0.39 0.17 0.15 0.00 0.00 0.00 175.76 177.18 1k3g s LYS 77 N -3.29 0.81 3.80 0.00 1.02 -1.26 -4.48 119.74 116.34 1k3g s LYS 77 Ca 0.30 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1k3g s LYS 77 Cb -0.08 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1k3g s LYS 77 CO 0.20 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1k3g n GLY 78 N -0.01 0.90 0.40 -3.33 0.00 -1.26 -2.93 105.19 98.97 1k3g n GLY 78 Ca -0.15 -0.67 0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.92 2.24 -0.67 4.61 0.00 -2.00 0.37 119.26 122.91 1k3g h ALA 79 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 79 Cb 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1k3g h ALA 79 CO 0.00 -0.74 0.21 1.49 0.00 0.00 0.00 179.25 180.21 1k3g h GLU 80 N 0.34 0.34 0.00 0.00 4.81 -1.90 0.10 114.58 118.27 1k3g h GLU 80 Ca 0.67 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.85 1k3g h GLU 80 Cb 1.73 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 1k3g h GLU 80 CO -0.39 0.22 -0.15 0.00 -0.73 0.00 0.00 179.01 177.97 1k3g h ALA 81 N 1.50 0.03 -0.26 2.92 0.00 -0.40 -3.28 119.26 119.77 1k3g h ALA 81 Ca 0.36 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1k3g h ALA 81 Cb 0.52 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1k3g h ALA 81 CO -0.39 0.08 -0.13 0.93 0.00 0.00 0.00 179.25 179.74 1k3g h GLU 82 N -1.00 -0.09 -0.44 0.00 5.08 -0.74 0.93 114.58 118.31 1k3g h GLU 82 Ca -0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1k3g h GLU 82 Cb 1.01 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1k3g h GLU 82 CO -0.02 -0.06 0.24 0.00 -1.00 0.00 0.00 179.01 178.17 1k3g h ALA 83 N 1.11 0.56 0.35 3.43 0.00 -0.99 -0.04 119.26 123.68 1k3g h ALA 83 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1k3g h ALA 83 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1k3g h ALA 83 CO -0.32 -0.10 -0.25 0.28 0.00 0.00 0.00 179.25 178.87 1k3g h VAL 84 N 0.48 0.48 -0.48 0.00 2.07 -1.43 0.14 116.25 117.52 1k3g h VAL 84 Ca 0.18 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.80 1k3g h VAL 84 Cb 0.06 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 1k3g h VAL 84 CO -0.11 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.34 1k3g h ALA 85 N 0.01 0.28 -0.18 1.67 0.00 -0.55 0.23 119.26 120.71 1k3g h ALA 85 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k3g h ALA 85 Cb 0.50 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1k3g h ALA 85 CO 0.01 -0.47 0.11 0.00 0.00 0.00 0.00 179.25 178.91 1k3g h ALA 86 N 1.42 0.23 -0.59 0.00 0.00 -0.71 0.44 119.26 120.05 1k3g h ALA 86 Ca 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k3g h ALA 86 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1k3g h ALA 86 CO -0.51 -0.27 0.35 2.35 0.00 0.00 0.00 179.25 181.18 1k3g h TRP 87 N 0.23 0.78 -0.28 0.00 7.01 -0.55 0.13 115.95 123.27 1k3g h TRP 87 Ca 0.07 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 1k3g h TRP 87 Cb 0.01 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 1k3g h TRP 87 CO -0.06 0.54 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.01 1k3g h LEU 88 N 0.80 0.42 -0.60 0.65 -0.00 -0.17 -1.39 115.31 115.02 1k3g h LEU 88 Ca 0.21 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.96 1k3g h LEU 88 Cb -0.01 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.51 1k3g h LEU 88 CO -0.04 0.53 0.20 0.00 -0.00 0.00 0.00 178.44 179.13 1k3g h ALA 89 N 1.52 0.78 -0.33 1.53 0.00 0.92 -1.65 119.26 122.04 1k3g h ALA 89 Ca 0.09 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1k3g h ALA 89 Cb 0.36 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1k3g h ALA 89 CO 0.02 0.44 -0.13 0.93 0.00 0.00 0.00 179.25 180.51 1k3g h GLU 90 N 0.85 -0.06 -6.34 0.00 5.08 -0.28 -3.41 114.58 110.42 1k3g h GLU 90 Ca 0.20 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.99 1k3g h GLU 90 Cb 0.26 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1k3g h GLU 90 CO -0.01 -0.04 1.16 0.15 -1.00 0.00 0.00 179.01 179.27 1k3g s LYS 91 N -6.18 3.58 0.00 2.33 1.02 -0.59 -4.97 119.74 114.92 1k3g s LYS 91 Ca -0.14 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.25 1k3g s LYS 91 Cb 0.13 -4.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 1k3g s LYS 91 CO 0.70 -1.55 0.14 1.63 -0.92 0.00 0.00 175.35 175.35