#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 5.89 0.19 4.52 1.01 -1.26 -4.83 116.67 122.18 1k3g s ASP 23 Ca 0.00 0.34 -0.23 0.00 0.71 0.00 0.00 52.55 53.37 1k3g s ASP 23 Cb 0.00 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.48 1k3g s ASP 23 CO 0.00 -1.89 1.56 0.00 0.21 0.00 0.00 175.17 175.05 1k3g h ALA 24 N 12.16 -0.18 -0.73 5.23 0.00 -1.89 0.18 119.26 134.02 1k3g h ALA 24 Ca -0.27 0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1k3g h ALA 24 Cb 1.11 1.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.81 1k3g h ALA 24 CO 1.18 -0.77 0.06 1.05 0.00 0.00 0.00 179.25 180.78 1k3g h GLU 25 N -0.11 0.15 -0.35 0.00 4.11 -1.92 0.10 114.58 116.56 1k3g h GLU 25 Ca 0.24 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 1k3g h GLU 25 Cb 0.55 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1k3g h GLU 25 CO -0.83 0.10 0.18 0.00 0.07 0.00 0.00 179.01 178.53 1k3g h ALA 26 N 1.66 0.45 0.14 1.06 0.00 -1.10 0.16 119.26 121.63 1k3g h ALA 26 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1k3g h ALA 26 Cb 0.72 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1k3g h ALA 26 CO -0.60 -0.01 -0.13 0.28 0.00 0.00 0.00 179.25 178.80 1k3g h VAL 27 N 0.43 0.72 -0.24 0.00 2.07 -0.20 -1.45 116.25 117.59 1k3g h VAL 27 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1k3g h VAL 27 Cb 0.09 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1k3g h VAL 27 CO -0.02 0.00 -0.19 0.58 0.02 0.00 0.00 177.57 177.96 1k3g h VAL 28 N -0.28 0.49 0.00 2.57 2.07 -0.54 0.15 116.25 120.70 1k3g h VAL 28 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1k3g h VAL 28 Cb 0.27 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1k3g h VAL 28 CO -0.03 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.60 1k3g n GLN 29 N -5.34 0.00 -1.86 1.57 1.13 0.54 -1.48 117.38 111.94 1k3g n GLN 29 Ca -0.01 0.33 0.02 0.00 -1.94 0.00 0.00 57.00 55.39 1k3g n GLN 29 Cb 0.26 -1.53 0.02 0.00 0.11 0.00 0.00 30.24 29.10 1k3g n GLN 29 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1k3g n GLN 30 N -1.31 0.52 0.12 -1.09 7.27 0.29 -4.88 117.38 118.30 1k3g n GLN 30 Ca 0.00 -2.27 0.00 0.00 0.07 0.00 0.00 57.00 54.80 1k3g n GLN 30 Cb 0.03 -0.36 0.00 0.00 2.41 0.00 0.00 30.24 32.32 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 -0.03 3.69 4.01 0.10 -4.98 118.16 121.02 1k3g n LYS 31 Ca 0.02 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.67 1k3g n LYS 31 Cb 1.00 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 35.40 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 -0.61 0.51 -1.28 0.00 3.07 -1.54 0.88 117.51 118.54 1k3g h ILE 33 Ca -0.02 -0.02 0.37 0.00 1.55 0.00 0.00 64.86 66.73 1k3g h ILE 33 Cb 0.98 0.44 -0.08 0.00 -0.27 0.00 0.00 36.82 37.88 1k3g h ILE 33 CO 0.04 0.01 0.88 0.28 -1.05 0.00 0.00 178.15 178.30 1k3g h SER 34 N 0.07 0.17 0.00 2.16 0.02 -1.82 0.27 113.55 114.42 1k3g h SER 34 Ca 0.49 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1k3g h SER 34 Cb 1.84 0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1k3g h SER 34 CO -0.05 -0.02 -0.90 0.00 -1.14 0.00 0.00 176.83 174.73 1k3g n HIS 36 N -2.67 0.19 0.00 0.00 8.25 0.16 -0.41 115.22 120.74 1k3g n HIS 36 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1k3g n HIS 36 Cb 0.45 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -0.37 -0.87 0.57 -1.41 0.00 0.96 -0.88 105.19 103.19 1k3g n GLY 37 Ca 0.02 -1.44 0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 0.41 0.74 -0.02 0.00 -1.94 0.15 103.07 102.40 1k3g h GLY 38 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1k3g h GLY 38 CO 0.00 -0.11 -0.79 1.22 0.00 0.00 0.00 176.54 176.87 1k3g n ASP 39 N -4.25 0.63 0.00 0.19 8.00 -1.26 -4.96 116.55 114.90 1k3g n ASP 39 Ca 0.35 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1k3g n ASP 39 Cb 1.55 0.55 0.00 0.00 -0.02 0.00 0.00 41.12 43.19 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 -1.76 0.35 -0.24 0.64 4.77 0.52 -4.86 117.00 116.42 1k3g n LEU 40 Ca 0.04 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1k3g n LEU 40 Cb 0.39 -1.18 0.65 0.00 -2.33 0.00 0.00 43.42 40.94 1k3g n LEU 40 CO 0.38 -0.35 0.91 0.35 -1.33 0.00 0.00 177.39 177.36 1k3g n THR 41 N -2.63 0.00 0.00 -5.08 -2.24 -1.15 -1.73 114.28 101.45 1k3g n THR 41 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1k3g n THR 41 Cb 0.17 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.17 -0.80 0.78 3.38 0.00 -0.06 -4.30 105.19 105.36 1k3g n GLY 42 Ca 0.19 -1.22 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 1.02 2.42 0.77 4.61 0.00 -1.10 -4.77 120.51 123.45 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 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.63 2.65 -3.83 0.00 7.64 0.45 -4.97 113.62 113.94 1k3g n SER 44 Ca 0.00 -1.87 -0.09 0.00 1.01 0.00 0.00 58.87 57.92 1k3g n SER 44 Cb 0.00 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.67 -0.91 0.67 -0.43 0.00 -1.19 -4.94 121.76 113.29 1k3g s ALA 45 Ca 0.35 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 1k3g s ALA 45 Cb 0.20 0.91 0.01 0.00 0.00 0.00 0.00 23.12 24.24 1k3g s ALA 45 CO 0.29 -0.90 1.09 -1.25 0.00 0.00 0.00 175.76 174.99 1k3g s PRO 46 N -3.92 2.79 0.00 0.00 0.04 -1.26 -4.31 135.00 128.34 1k3g s PRO 46 Ca 0.13 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1k3g s PRO 46 Cb -0.03 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1k3g s PRO 46 CO 0.03 -1.24 1.27 0.00 0.04 0.00 0.00 177.00 177.10 1k3g s ALA 47 N -2.54 3.50 -2.47 8.56 0.00 -1.26 -4.45 121.76 123.10 1k3g s ALA 47 Ca 0.64 0.78 0.20 0.00 0.00 0.00 0.00 51.96 53.59 1k3g s ALA 47 Cb -0.18 -3.52 0.18 0.00 0.00 0.00 0.00 23.12 19.60 1k3g s ALA 47 CO 0.45 -0.71 1.16 0.44 0.00 0.00 0.00 175.76 177.10 1k3g n ILE 48 N 4.41 0.06 -0.23 0.00 -5.35 -0.95 -4.56 119.36 112.75 1k3g n ILE 48 Ca 0.11 -0.53 0.11 0.00 -0.27 0.00 0.00 62.75 62.17 1k3g n ILE 48 Cb 0.45 1.36 0.22 0.00 -1.74 0.00 0.00 39.64 39.94 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 1.15 -0.04 -2.05 7.28 2.03 -0.70 -0.10 116.55 124.12 1k3g n ASP 49 Ca 0.12 1.12 -0.25 0.00 0.52 0.00 0.00 54.79 56.30 1k3g n ASP 49 Cb 0.51 -0.43 0.03 0.00 -0.72 0.00 0.00 41.12 40.51 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 -4.83 3.50 -0.14 -0.67 0.00 -1.26 -3.67 118.16 111.08 1k3g n LYS 50 Ca 0.17 -4.06 -0.11 0.00 -0.00 0.00 0.00 58.31 54.31 1k3g n LYS 50 Cb 0.55 -2.28 -0.01 0.00 -0.00 0.00 0.00 35.03 33.29 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 2.15 0.56 -0.82 0.58 0.00 -0.69 -3.01 119.26 118.03 1k3g h ALA 51 Ca 0.40 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 55.23 1k3g h ALA 51 Cb 1.45 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1k3g h ALA 51 CO 0.86 0.37 0.57 0.78 0.00 0.00 0.00 179.25 181.83 1k3g h GLY 52 N 0.58 0.44 0.19 0.00 0.00 -1.43 0.20 103.07 103.05 1k3g h GLY 52 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1k3g h GLY 52 CO 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.46 1k3g h ALA 53 N 1.62 -0.00 -0.27 3.60 0.00 -1.73 -3.38 119.26 119.10 1k3g h ALA 53 Ca 0.41 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1k3g h ALA 53 Cb 1.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1k3g h ALA 53 CO -0.09 0.02 0.04 -0.91 0.00 0.00 0.00 179.25 178.31 1k3g h ASN 54 N -0.81 -0.02 -3.90 0.00 2.35 -0.89 -3.44 115.58 108.87 1k3g h ASN 54 Ca -0.02 0.05 -0.31 0.00 -0.55 0.00 0.00 56.30 55.47 1k3g h ASN 54 Cb 1.00 0.07 -0.28 0.00 0.05 0.00 0.00 38.32 39.16 1k3g h ASN 54 CO 0.02 0.02 -0.75 -0.31 -1.65 0.00 0.00 177.43 174.76 1k3g s TYR 55 N -6.18 0.41 0.91 1.19 2.02 0.53 -5.11 117.35 111.13 1k3g s TYR 55 Ca -0.13 -0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 1k3g s TYR 55 Cb 0.11 -0.27 0.14 0.00 -0.40 0.00 0.00 41.96 41.54 1k3g s TYR 55 CO 0.70 -0.01 1.12 -1.54 -1.57 0.00 0.00 175.55 174.25 1k3g s SER 56 N -0.13 3.48 0.18 2.29 1.04 -1.26 -4.03 113.70 115.26 1k3g s SER 56 Ca 0.02 1.07 -0.19 0.00 0.48 0.00 0.00 55.95 57.32 1k3g s SER 56 Cb -0.02 -1.69 0.12 0.00 0.10 0.00 0.00 66.02 64.54 1k3g s SER 56 CO -0.00 -2.58 1.61 -0.08 0.98 0.00 0.00 173.24 173.17 1k3g h GLU 57 N -1.52 -0.14 -0.44 4.02 4.81 -1.88 0.15 114.58 119.60 1k3g h GLU 57 Ca -0.51 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 58.86 1k3g h GLU 57 Cb 1.32 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1k3g h GLU 57 CO 0.61 -0.09 0.40 0.93 -0.73 0.00 0.00 179.01 180.12 1k3g h GLU 58 N -0.14 0.00 0.05 1.92 5.08 -1.95 0.24 114.58 119.78 1k3g h GLU 58 Ca 0.22 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.34 1k3g h GLU 58 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1k3g h GLU 58 CO -0.57 0.00 -1.28 0.93 -1.00 0.00 0.00 179.01 177.09 1k3g h GLU 59 N 0.00 0.10 -0.19 2.33 5.08 -1.26 -3.19 114.58 117.45 1k3g h GLU 59 Ca 0.21 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1k3g h GLU 59 Cb 1.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1k3g h GLU 59 CO -0.00 1.09 0.09 0.82 -1.00 0.00 0.00 179.01 180.00 1k3g h ILE 60 N -0.66 1.14 -0.33 3.13 2.04 -0.07 0.33 117.51 123.09 1k3g h ILE 60 Ca -0.31 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.20 1k3g h ILE 60 Cb 1.50 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 1k3g h ILE 60 CO -0.07 0.13 -0.09 0.25 0.00 0.00 0.00 178.15 178.38 1k3g h LEU 61 N 0.17 -0.32 -0.25 1.44 5.85 -0.74 0.21 115.31 121.68 1k3g h LEU 61 Ca 0.07 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1k3g h LEU 61 Cb 0.13 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1k3g h LEU 61 CO -0.01 -0.11 -0.37 -0.78 -0.34 0.00 0.00 178.44 176.83 1k3g h ASP 62 N -0.01 -1.19 -0.56 1.25 3.58 -1.44 0.15 116.42 118.20 1k3g h ASP 62 Ca 0.16 0.18 0.06 0.00 0.42 0.00 0.00 57.03 57.85 1k3g h ASP 62 Cb 0.25 0.52 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 1k3g h ASP 62 CO -0.34 -0.37 0.27 0.40 -2.88 0.00 0.00 179.24 176.32 1k3g h ILE 63 N -0.38 0.90 -0.98 2.25 2.04 0.18 0.22 117.51 121.75 1k3g h ILE 63 Ca 0.12 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1k3g h ILE 63 Cb 0.58 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1k3g h ILE 63 CO -0.45 0.09 0.64 0.40 0.00 0.00 0.00 178.15 178.83 1k3g h ILE 64 N 0.50 1.15 -0.31 -0.67 2.04 0.28 0.14 117.51 120.65 1k3g h ILE 64 Ca 0.26 -0.42 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 1k3g h ILE 64 Cb 0.21 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1k3g h ILE 64 CO -0.20 0.22 -0.46 -0.07 0.00 0.00 0.00 178.15 177.64 1k3g h LEU 65 N 1.22 0.94 -2.94 1.44 3.38 0.11 -1.89 115.31 117.57 1k3g h LEU 65 Ca 0.39 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1k3g h LEU 65 Cb 0.03 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1k3g h LEU 65 CO -0.13 1.26 -0.47 -0.46 0.09 0.00 0.00 178.44 178.73 1k3g n ASN 66 N -4.08 1.64 0.00 -0.43 0.23 0.60 -2.06 115.26 111.16 1k3g n ASN 66 Ca -0.04 -3.32 0.00 0.00 -0.53 0.00 0.00 54.58 50.69 1k3g n ASN 66 Cb 0.58 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1k3g n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k3g n GLY 67 N -0.87 0.85 0.00 4.83 0.00 0.46 -4.46 105.19 106.00 1k3g n GLY 67 Ca 0.15 -0.21 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 9.61 0.00 0.00 1.61 -0.06 -0.51 -4.55 117.38 123.48 1k3g n GLN 68 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1k3g n GLN 68 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1k3g n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k3g n GLY 69 N -0.16 1.92 0.21 1.69 0.00 -1.26 0.56 105.19 108.15 1k3g n GLY 69 Ca 0.00 0.53 0.10 0.00 0.00 0.00 0.00 46.02 46.66 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 -5.50 -0.02 0.00 -2.02 -3.45 103.07 92.09 1k3g h GLY 70 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1k3g h GLY 70 CO 0.00 0.00 1.10 -0.29 0.00 0.00 0.00 176.54 177.35 1k3g s MET 71 N -3.18 4.06 -0.14 4.80 0.00 0.19 -4.97 119.30 120.07 1k3g s MET 71 Ca 0.06 2.02 -0.29 0.00 0.00 0.00 0.00 55.69 57.48 1k3g s MET 71 Cb 0.06 -3.99 -0.02 0.00 0.00 0.00 0.00 34.83 30.88 1k3g s MET 71 CO 0.68 -0.98 1.19 -1.25 0.00 0.00 0.00 175.02 174.66 1k3g s PRO 72 N 4.22 4.29 0.30 4.11 0.04 -1.26 -1.42 135.00 145.28 1k3g s PRO 72 Ca 0.72 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 1k3g s PRO 72 Cb -0.30 -3.66 -0.12 0.00 0.04 0.00 0.00 34.50 30.45 1k3g s PRO 72 CO 0.29 -0.58 1.56 0.41 0.04 0.00 0.00 177.00 178.71 1k3g n GLY 73 N 3.45 1.25 1.01 0.56 0.00 -1.26 -3.72 105.19 106.47 1k3g n GLY 73 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 1.92 1.00 0.13 -0.02 0.00 -0.71 -4.70 105.19 102.81 1k3g n GLY 74 Ca 0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 1.22 -3.76 -0.61 2.04 -1.64 -3.42 117.51 111.34 1k3g h ILE 75 Ca 0.00 -0.72 -0.68 0.00 1.00 0.00 0.00 64.86 64.46 1k3g h ILE 75 Cb 0.59 1.28 -0.19 0.00 -0.74 0.00 0.00 36.82 37.76 1k3g h ILE 75 CO 0.00 0.22 -0.80 0.00 0.00 0.00 0.00 178.15 177.57 1k3g s ALA 76 N -5.22 2.66 0.10 1.87 0.00 -1.26 -5.04 121.76 114.87 1k3g s ALA 76 Ca -0.14 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 1k3g s ALA 76 Cb 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1k3g s ALA 76 CO 0.72 0.59 0.13 0.15 0.00 0.00 0.00 175.76 177.36 1k3g s LYS 77 N -2.04 0.87 2.68 0.00 1.02 -1.26 -4.56 119.74 116.44 1k3g s LYS 77 Ca 0.17 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1k3g s LYS 77 Cb -0.11 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1k3g s LYS 77 CO 0.09 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1k3g n GLY 78 N -0.06 0.27 0.43 -3.33 0.00 -1.26 -3.44 105.19 97.80 1k3g n GLY 78 Ca -0.11 -0.94 0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.82 2.48 -0.50 4.61 0.00 -1.99 0.24 119.26 123.29 1k3g h ALA 79 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1k3g h ALA 79 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1k3g h ALA 79 CO 0.00 -0.90 -0.53 1.49 0.00 0.00 0.00 179.25 179.32 1k3g h GLU 80 N 0.00 -0.28 -0.16 0.00 4.81 -1.91 0.15 114.58 117.19 1k3g h GLU 80 Ca 0.31 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1k3g h GLU 80 Cb 1.43 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 1k3g h GLU 80 CO -0.00 -0.19 -0.13 0.00 -0.73 0.00 0.00 179.01 177.95 1k3g h ALA 81 N -0.02 0.23 -0.22 2.92 0.00 -0.61 -2.50 119.26 119.06 1k3g h ALA 81 Ca 0.08 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1k3g h ALA 81 Cb 0.52 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1k3g h ALA 81 CO -0.62 0.10 -0.02 0.93 0.00 0.00 0.00 179.25 179.64 1k3g h GLU 82 N 0.01 0.05 0.05 0.00 5.08 -1.26 0.12 114.58 118.62 1k3g h GLU 82 Ca 0.03 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1k3g h GLU 82 Cb 0.65 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1k3g h GLU 82 CO 0.03 0.03 -0.22 0.00 -1.00 0.00 0.00 179.01 177.86 1k3g h ALA 83 N 1.20 -0.32 -0.07 3.43 0.00 -0.75 -0.25 119.26 122.50 1k3g h ALA 83 Ca 0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1k3g h ALA 83 Cb 0.14 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1k3g h ALA 83 CO -0.19 -0.73 -0.37 0.28 0.00 0.00 0.00 179.25 178.24 1k3g h VAL 84 N -0.37 0.21 -0.20 0.00 2.07 -0.91 1.00 116.25 118.04 1k3g h VAL 84 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1k3g h VAL 84 Cb 0.42 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1k3g h VAL 84 CO -0.16 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.11 1k3g h ALA 85 N 0.19 -0.32 -0.40 1.67 0.00 -0.54 0.15 119.26 120.01 1k3g h ALA 85 Ca 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1k3g h ALA 85 Cb 0.60 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1k3g h ALA 85 CO -0.34 -0.78 0.17 0.00 0.00 0.00 0.00 179.25 178.30 1k3g h ALA 86 N 0.51 0.52 0.13 0.00 0.00 -0.72 0.40 119.26 120.10 1k3g h ALA 86 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k3g h ALA 86 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1k3g h ALA 86 CO -0.40 0.11 -0.16 2.35 0.00 0.00 0.00 179.25 181.15 1k3g h TRP 87 N 0.50 -0.41 -0.09 0.00 7.01 -0.54 -1.62 115.95 120.81 1k3g h TRP 87 Ca 0.13 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1k3g h TRP 87 Cb 0.17 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1k3g h TRP 87 CO -0.00 -0.24 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.30 1k3g h LEU 88 N -0.33 0.11 -1.44 0.65 3.38 -0.49 -0.06 115.31 117.13 1k3g h LEU 88 Ca 0.01 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1k3g h LEU 88 Cb 0.33 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1k3g h LEU 88 CO -0.06 0.17 0.49 0.00 0.09 0.00 0.00 178.44 179.13 1k3g h ALA 89 N 1.85 1.87 -0.08 1.53 0.00 0.73 -0.63 119.26 124.52 1k3g h ALA 89 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1k3g h ALA 89 Cb 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1k3g h ALA 89 CO 0.01 -0.03 -0.82 1.49 0.00 0.00 0.00 179.25 179.89 1k3g h GLU 90 N 0.62 0.58 -6.38 0.00 4.81 -0.43 -3.42 114.58 110.35 1k3g h GLU 90 Ca 0.35 -0.52 -0.54 0.00 -0.13 0.00 0.00 59.36 58.52 1k3g h GLU 90 Cb 0.53 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1k3g h GLU 90 CO -0.13 1.14 0.70 0.15 -0.73 0.00 0.00 179.01 180.14 1k3g s LYS 91 N -3.57 4.36 0.00 1.92 1.02 -0.26 -5.01 119.74 118.20 1k3g s LYS 91 Ca -0.08 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.69 1k3g s LYS 91 Cb 0.09 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1k3g s LYS 91 CO 0.88 -0.43 0.00 1.63 -0.92 0.00 0.00 175.35 176.51