#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3h s ASP 23 N 0.00 5.71 0.23 4.52 1.11 -1.26 -4.83 116.67 122.14 1k3h s ASP 23 Ca 0.00 -0.38 -0.14 0.00 0.18 0.00 0.00 52.55 52.21 1k3h s ASP 23 Cb 0.00 -2.55 0.27 0.00 1.07 0.00 0.00 42.92 41.71 1k3h s ASP 23 CO 0.00 -2.15 1.59 0.00 1.18 0.00 0.00 175.17 175.79 1k3h h ALA 24 N 11.97 0.35 -0.27 5.23 0.00 -1.89 0.18 119.26 134.82 1k3h h ALA 24 Ca -0.12 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k3h h ALA 24 Cb 1.07 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1k3h h ALA 24 CO 1.27 -0.50 0.12 0.93 0.00 0.00 0.00 179.25 181.07 1k3h h GLU 25 N -0.04 0.39 -0.37 0.00 5.08 -1.93 0.36 114.58 118.07 1k3h h GLU 25 Ca 0.34 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1k3h h GLU 25 Cb 0.58 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1k3h h GLU 25 CO -0.81 0.40 0.19 0.00 -1.00 0.00 0.00 179.01 177.80 1k3h h ALA 26 N 0.97 0.45 0.17 3.43 0.00 -1.67 0.12 119.26 122.73 1k3h h ALA 26 Ca 0.09 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1k3h h ALA 26 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1k3h h ALA 26 CO -0.01 -0.16 -0.27 0.28 0.00 0.00 0.00 179.25 179.08 1k3h h VAL 27 N 0.40 0.41 -0.43 0.00 2.07 -0.74 -2.26 116.25 115.70 1k3h h VAL 27 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 1k3h h VAL 27 Cb 0.04 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 1k3h h VAL 27 CO -0.09 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.06 1k3h h VAL 28 N -0.51 0.66 -0.07 2.57 2.07 -0.44 0.24 116.25 120.77 1k3h h VAL 28 Ca 0.02 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1k3h h VAL 28 Cb 0.52 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1k3h h VAL 28 CO -0.12 0.02 0.29 1.56 0.02 0.00 0.00 177.57 179.33 1k3h h GLN 29 N 0.09 0.00 -0.67 1.57 1.08 -0.56 -0.10 115.11 116.52 1k3h h GLN 29 Ca 0.21 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.07 1k3h h GLN 29 Cb 0.31 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.33 1k3h h GLN 29 CO -0.37 0.00 -1.05 1.04 -0.95 0.00 0.00 178.83 177.50 1k3h n GLN 30 N -3.11 2.07 0.00 1.46 6.02 0.66 -4.76 117.38 119.72 1k3h n GLN 30 Ca -0.01 -3.65 0.00 0.00 -0.01 0.00 0.00 57.00 53.34 1k3h n GLN 30 Cb 0.36 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1k3h n GLN 30 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k3h n LYS 31 N -0.51 0.00 -0.11 -1.09 5.02 -0.06 -4.96 118.16 116.45 1k3h n LYS 31 Ca 0.16 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.23 1k3h n LYS 31 Cb 0.83 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.72 1k3h n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k3h h ILE 33 N -1.00 0.56 -1.20 0.00 -0.00 -1.49 -0.20 117.51 114.18 1k3h h ILE 33 Ca -0.40 0.00 0.45 0.00 -0.00 0.00 0.00 64.86 64.91 1k3h h ILE 33 Cb 1.34 0.89 -0.16 0.00 -0.00 0.00 0.00 36.82 38.90 1k3h h ILE 33 CO -0.24 0.00 0.73 -1.20 -0.00 0.00 0.00 178.15 177.44 1k3h n SER 34 N -3.93 0.27 -0.01 2.16 7.64 -1.26 -0.31 113.62 118.19 1k3h n SER 34 Ca 0.00 1.50 -0.01 0.00 1.01 0.00 0.00 58.87 61.37 1k3h n SER 34 Cb 0.25 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 1k3h n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k3h n HIS 36 N -2.52 0.00 0.00 0.00 8.25 -0.23 -0.39 115.22 120.33 1k3h n HIS 36 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1k3h n HIS 36 Cb 0.54 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1k3h n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k3h n GLY 37 N 0.77 -1.97 0.51 -1.41 0.00 0.58 -0.83 105.19 102.84 1k3h n GLY 37 Ca 0.13 -1.38 0.41 0.00 0.00 0.00 0.00 46.02 45.18 1k3h n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k3h h GLY 38 N 0.00 1.14 -1.40 -0.02 0.00 -1.93 -0.29 103.07 100.57 1k3h h GLY 38 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1k3h h GLY 38 CO 0.00 -0.38 0.00 1.22 0.00 0.00 0.00 176.54 177.38 1k3h n ASP 39 N -4.60 2.47 -0.10 0.19 9.92 -1.26 -4.96 116.55 118.21 1k3h n ASP 39 Ca 0.40 -1.72 -0.01 0.00 -0.53 0.00 0.00 54.79 52.92 1k3h n ASP 39 Cb 1.58 -0.02 -0.01 0.00 -0.64 0.00 0.00 41.12 42.03 1k3h n ASP 39 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1k3h n LEU 40 N 0.96 0.34 0.03 0.64 4.77 -0.12 -4.76 117.00 118.86 1k3h n LEU 40 Ca 0.10 0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1k3h n LEU 40 Cb 0.43 -1.50 0.49 0.00 -2.33 0.00 0.00 43.42 40.51 1k3h n LEU 40 CO 0.11 -0.50 0.86 0.35 -1.33 0.00 0.00 177.39 176.88 1k3h n THR 41 N -2.53 0.20 0.00 -5.08 -2.24 -1.19 -0.82 114.28 102.61 1k3h n THR 41 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1k3h n THR 41 Cb 0.26 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1k3h n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3h n GLY 42 N 1.43 1.66 0.00 3.38 0.00 -0.01 -4.09 105.19 107.57 1k3h n GLY 42 Ca 0.06 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1k3h n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3h n ALA 43 N 1.56 0.00 1.20 4.61 0.00 -1.21 -4.49 120.51 122.18 1k3h n ALA 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1k3h n ALA 43 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 1k3h n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k3h n SER 44 N -0.67 2.03 -3.83 0.00 7.64 0.47 -4.92 113.62 114.34 1k3h n SER 44 Ca 0.00 -1.70 -0.09 0.00 1.01 0.00 0.00 58.87 58.09 1k3h n SER 44 Cb 0.00 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.07 1k3h n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k3h s ALA 45 N -1.89 -0.30 0.98 -0.43 0.00 -0.95 -4.93 121.76 114.24 1k3h s ALA 45 Ca 0.35 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1k3h s ALA 45 Cb 0.20 0.50 0.18 0.00 0.00 0.00 0.00 23.12 24.00 1k3h s ALA 45 CO 0.31 -0.52 1.08 -1.25 0.00 0.00 0.00 175.76 175.38 1k3h s PRO 46 N -3.83 0.59 -0.04 0.00 0.04 -1.26 -4.27 135.00 126.23 1k3h s PRO 46 Ca 0.05 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1k3h s PRO 46 Cb 0.04 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1k3h s PRO 46 CO -0.11 -2.70 1.22 0.00 0.04 0.00 0.00 177.00 175.45 1k3h s ALA 47 N -2.82 3.49 -1.62 8.56 0.00 -1.26 -4.26 121.76 123.85 1k3h s ALA 47 Ca 0.65 0.68 0.13 0.00 0.00 0.00 0.00 51.96 53.42 1k3h s ALA 47 Cb -0.20 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.52 1k3h s ALA 47 CO 0.59 -0.74 0.93 0.44 0.00 0.00 0.00 175.76 176.97 1k3h n ILE 48 N 4.54 0.03 -0.31 0.00 -5.35 -0.00 -4.67 119.36 113.60 1k3h n ILE 48 Ca 0.11 -0.52 0.22 0.00 -0.27 0.00 0.00 62.75 62.30 1k3h n ILE 48 Cb 0.46 1.25 0.42 0.00 -1.74 0.00 0.00 39.64 40.03 1k3h n ILE 48 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1k3h n ASP 49 N 0.74 0.12 -1.32 7.28 2.03 -0.03 -0.63 116.55 124.75 1k3h n ASP 49 Ca 0.08 1.57 -0.07 0.00 0.52 0.00 0.00 54.79 56.88 1k3h n ASP 49 Cb 0.33 -0.67 0.12 0.00 -0.72 0.00 0.00 41.12 40.18 1k3h n ASP 49 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1k3h n LYS 50 N -5.24 2.41 -0.28 -0.67 2.85 -1.26 -3.66 118.16 112.31 1k3h n LYS 50 Ca 0.29 -3.64 0.06 0.00 -1.05 0.00 0.00 58.31 53.97 1k3h n LYS 50 Cb 0.98 -1.84 0.20 0.00 -0.65 0.00 0.00 35.03 33.71 1k3h n LYS 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k3h h ALA 51 N 1.56 1.19 -0.43 0.58 0.00 -1.04 -1.15 119.26 119.96 1k3h h ALA 51 Ca 0.15 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1k3h h ALA 51 Cb 1.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1k3h h ALA 51 CO 0.34 -0.08 0.37 0.78 0.00 0.00 0.00 179.25 180.66 1k3h h GLY 52 N 0.61 0.00 2.00 0.00 0.00 -1.40 0.25 103.07 104.53 1k3h h GLY 52 Ca 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.60 1k3h h GLY 52 CO -0.34 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.41 1k3h h ALA 53 N 1.66 0.64 0.08 3.60 0.00 -1.33 -3.36 119.26 120.55 1k3h h ALA 53 Ca 0.21 -0.72 -0.27 0.00 0.00 0.00 0.00 54.91 54.12 1k3h h ALA 53 Cb 0.95 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1k3h h ALA 53 CO -0.00 0.99 -1.45 -0.91 0.00 0.00 0.00 179.25 177.88 1k3h h ASN 54 N 0.00 0.27 -4.29 0.00 2.35 -0.56 -3.48 115.58 109.86 1k3h h ASN 54 Ca -0.01 -0.78 -0.26 0.00 -0.55 0.00 0.00 56.30 54.70 1k3h h ASN 54 Cb 1.45 -0.09 -0.25 0.00 0.05 0.00 0.00 38.32 39.48 1k3h h ASN 54 CO 0.10 1.61 -0.73 -0.31 -1.65 0.00 0.00 177.43 176.46 1k3h s TYR 55 N -2.45 0.39 0.72 1.19 2.02 0.47 -5.12 117.35 114.57 1k3h s TYR 55 Ca -0.23 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1k3h s TYR 55 Cb 0.05 -0.24 0.03 0.00 -0.40 0.00 0.00 41.96 41.40 1k3h s TYR 55 CO 0.71 -0.06 1.10 -1.12 -1.57 0.00 0.00 175.55 174.62 1k3h s SER 56 N -0.72 5.21 0.26 2.29 0.01 -1.26 -3.99 113.70 115.50 1k3h s SER 56 Ca -0.05 1.01 -0.03 0.00 1.31 0.00 0.00 55.95 58.19 1k3h s SER 56 Cb -0.05 -1.74 0.55 0.00 0.21 0.00 0.00 66.02 64.99 1k3h s SER 56 CO -0.00 -1.47 1.67 1.05 0.41 0.00 0.00 173.24 174.90 1k3h h GLU 57 N -0.72 0.24 -0.41 12.44 9.09 -1.93 0.17 114.58 133.46 1k3h h GLU 57 Ca -0.45 -0.01 0.08 0.00 0.05 0.00 0.00 59.36 59.02 1k3h h GLU 57 Cb 1.27 -0.05 -0.07 0.00 -1.65 0.00 0.00 28.75 28.25 1k3h h GLU 57 CO 0.64 0.16 -0.07 0.93 0.05 0.00 0.00 179.01 180.72 1k3h h GLU 58 N 0.24 0.03 -0.25 1.06 5.08 -1.93 0.26 114.58 119.08 1k3h h GLU 58 Ca 0.47 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.72 1k3h h GLU 58 Cb 0.85 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1k3h h GLU 58 CO -0.57 0.02 -0.24 0.93 -1.00 0.00 0.00 179.01 178.15 1k3h h GLU 59 N 0.03 0.59 -0.48 2.33 5.08 -1.12 0.45 114.58 121.46 1k3h h GLU 59 Ca 0.20 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1k3h h GLU 59 Cb 0.30 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1k3h h GLU 59 CO -0.40 0.91 0.28 0.82 -1.00 0.00 0.00 179.01 179.62 1k3h h ILE 60 N 0.30 1.15 -0.04 3.13 2.04 -0.73 -0.50 117.51 122.87 1k3h h ILE 60 Ca 0.04 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1k3h h ILE 60 Cb 0.79 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1k3h h ILE 60 CO 0.06 0.16 -0.03 0.25 0.00 0.00 0.00 178.15 178.59 1k3h h LEU 61 N 0.64 -0.08 -0.27 1.44 5.85 -0.34 0.62 115.31 123.17 1k3h h LEU 61 Ca 0.17 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1k3h h LEU 61 Cb 0.01 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1k3h h LEU 61 CO -0.03 -0.04 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.01 1k3h h ASP 62 N -0.03 -0.77 -0.24 1.25 1.82 -0.50 0.13 116.42 118.09 1k3h h ASP 62 Ca 0.03 0.14 0.04 0.00 -0.39 0.00 0.00 57.03 56.85 1k3h h ASP 62 Cb 0.07 0.37 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 1k3h h ASP 62 CO -0.06 -0.27 0.02 0.40 -1.61 0.00 0.00 179.24 177.72 1k3h h ILE 63 N -0.23 0.86 -0.61 2.25 2.04 -0.72 0.36 117.51 121.45 1k3h h ILE 63 Ca 0.15 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1k3h h ILE 63 Cb 0.46 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 1k3h h ILE 63 CO -0.41 0.02 0.21 0.40 0.00 0.00 0.00 178.15 178.37 1k3h h ILE 64 N 0.10 0.73 -0.15 -0.67 2.04 -0.02 -0.05 117.51 119.50 1k3h h ILE 64 Ca 0.11 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 1k3h h ILE 64 Cb 0.13 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1k3h h ILE 64 CO -0.17 0.07 -0.48 -0.07 0.00 0.00 0.00 178.15 177.50 1k3h h LEU 65 N 0.37 0.41 -2.92 1.44 3.38 0.30 0.12 115.31 118.41 1k3h h LEU 65 Ca 0.31 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1k3h h LEU 65 Cb 0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1k3h h LEU 65 CO -0.33 0.83 -0.06 0.59 0.09 0.00 0.00 178.44 179.56 1k3h n ASN 66 N -3.98 2.15 0.00 -0.43 3.02 0.12 -1.74 115.26 114.40 1k3h n ASN 66 Ca -0.02 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1k3h n ASN 66 Cb 0.55 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1k3h n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3h n GLY 67 N -1.32 0.39 0.00 7.41 0.00 -0.08 -4.57 105.19 107.02 1k3h n GLY 67 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1k3h n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k3h n GLN 68 N 3.91 0.00 0.00 1.61 7.27 0.08 -4.55 117.38 125.71 1k3h n GLN 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1k3h n GLN 68 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1k3h n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k3h n GLY 69 N -0.00 2.14 0.21 1.69 0.00 -1.26 0.09 105.19 108.06 1k3h n GLY 69 Ca 0.00 0.44 0.07 0.00 0.00 0.00 0.00 46.02 46.53 1k3h n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k3h h GLY 70 N 0.00 0.00 -4.93 -0.02 0.00 -2.00 -3.44 103.07 92.68 1k3h h GLY 70 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1k3h h GLY 70 CO 0.00 0.00 0.82 -0.29 0.00 0.00 0.00 176.54 177.07 1k3h s MET 71 N -3.87 4.29 0.35 4.80 0.00 0.11 -5.04 119.30 119.95 1k3h s MET 71 Ca -0.01 1.78 -0.25 0.00 0.00 0.00 0.00 55.69 57.21 1k3h s MET 71 Cb 0.12 -3.65 -0.10 0.00 0.00 0.00 0.00 34.83 31.20 1k3h s MET 71 CO 0.66 -0.58 0.95 -1.25 0.00 0.00 0.00 175.02 174.80 1k3h s PRO 72 N 2.73 4.49 0.40 4.11 0.04 -1.26 -0.74 135.00 144.76 1k3h s PRO 72 Ca 0.59 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1k3h s PRO 72 Cb -0.26 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.56 1k3h s PRO 72 CO 0.22 0.19 0.78 0.20 0.04 0.00 0.00 177.00 178.43 1k3h s GLY 73 N -1.75 2.06 -0.71 0.56 0.00 -1.26 -4.22 107.32 102.00 1k3h s GLY 73 Ca 0.53 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 45.15 1k3h s GLY 73 CO 0.21 0.11 0.04 0.61 0.00 0.00 0.00 173.10 174.07 1k3h n GLY 74 N -1.08 0.05 0.44 0.20 0.00 0.42 -4.73 105.19 100.48 1k3h n GLY 74 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1k3h n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k3h h ILE 75 N -0.09 0.00 -2.92 -0.61 2.04 -1.73 -3.40 117.51 110.80 1k3h h ILE 75 Ca -0.20 0.00 -0.46 0.00 1.00 0.00 0.00 64.86 65.19 1k3h h ILE 75 Cb 1.15 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1k3h h ILE 75 CO 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.35 1k3h s ALA 76 N -5.52 3.67 0.12 1.87 0.00 -1.26 -5.07 121.76 115.57 1k3h s ALA 76 Ca -0.15 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 1k3h s ALA 76 Cb 0.04 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1k3h s ALA 76 CO 0.53 -0.46 0.18 0.15 0.00 0.00 0.00 175.76 176.16 1k3h s LYS 77 N -4.64 0.95 4.33 0.00 1.02 -1.26 -4.66 119.74 115.48 1k3h s LYS 77 Ca 0.49 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1k3h s LYS 77 Cb -0.10 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1k3h s LYS 77 CO 0.39 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1k3h n GLY 78 N -0.11 2.08 0.43 -3.33 0.00 -1.26 -2.27 105.19 100.73 1k3h n GLY 78 Ca -0.10 -0.44 0.24 0.00 0.00 0.00 0.00 46.02 45.71 1k3h n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3h h ALA 79 N -0.82 2.56 0.33 4.61 0.00 -2.00 0.17 119.26 124.10 1k3h h ALA 79 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1k3h h ALA 79 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1k3h h ALA 79 CO 0.00 -0.80 -0.45 1.49 0.00 0.00 0.00 179.25 179.49 1k3h h GLU 80 N 0.14 -0.77 -0.07 0.00 4.81 -1.82 0.72 114.58 117.57 1k3h h GLU 80 Ca 0.40 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1k3h h GLU 80 Cb 1.37 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.92 1k3h h GLU 80 CO -0.06 -0.52 0.05 0.00 -0.73 0.00 0.00 179.01 177.75 1k3h h ALA 81 N -0.91 0.09 -0.13 2.92 0.00 -0.60 -2.09 119.26 118.54 1k3h h ALA 81 Ca -0.04 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1k3h h ALA 81 Cb 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1k3h h ALA 81 CO -0.12 -0.41 -0.12 0.93 0.00 0.00 0.00 179.25 179.53 1k3h h GLU 82 N 0.08 -0.14 -0.11 0.00 5.08 -0.99 0.65 114.58 119.15 1k3h h GLU 82 Ca 0.03 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1k3h h GLU 82 Cb 0.01 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1k3h h GLU 82 CO -0.01 -0.09 -0.06 0.00 -1.00 0.00 0.00 179.01 177.86 1k3h h ALA 83 N 0.94 0.04 0.24 3.43 0.00 -0.76 -0.06 119.26 123.09 1k3h h ALA 83 Ca 0.09 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k3h h ALA 83 Cb 0.27 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1k3h h ALA 83 CO -0.21 -0.51 -0.31 0.28 0.00 0.00 0.00 179.25 178.49 1k3h h VAL 84 N -0.05 0.34 -0.41 0.00 2.07 -0.98 0.10 116.25 117.32 1k3h h VAL 84 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1k3h h VAL 84 Cb 0.14 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 1k3h h VAL 84 CO -0.14 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.19 1k3h h ALA 85 N -0.02 -0.02 0.04 1.67 0.00 -0.65 0.16 119.26 120.44 1k3h h ALA 85 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k3h h ALA 85 Cb 0.59 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1k3h h ALA 85 CO -0.11 -0.63 -0.06 0.00 0.00 0.00 0.00 179.25 178.45 1k3h h ALA 86 N 0.98 -0.09 -0.33 0.00 0.00 -0.77 0.22 119.26 119.27 1k3h h ALA 86 Ca 0.19 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1k3h h ALA 86 Cb 0.49 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1k3h h ALA 86 CO -0.52 -0.56 0.11 2.35 0.00 0.00 0.00 179.25 180.63 1k3h h TRP 87 N -0.12 0.20 -0.47 0.00 7.01 -0.59 -0.92 115.95 121.07 1k3h h TRP 87 Ca 0.01 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1k3h h TRP 87 Cb 0.12 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1k3h h TRP 87 CO -0.11 0.08 0.20 -0.07 -2.79 0.00 0.00 178.44 175.75 1k3h h LEU 88 N 0.25 0.60 -0.90 0.65 3.38 -0.45 -1.34 115.31 117.50 1k3h h LEU 88 Ca 0.15 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.19 1k3h h LEU 88 Cb 0.13 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 1k3h h LEU 88 CO -0.16 0.54 0.51 0.00 0.09 0.00 0.00 178.44 179.42 1k3h h ALA 89 N 1.56 1.36 -0.69 1.53 0.00 0.77 0.90 119.26 124.69 1k3h h ALA 89 Ca 0.16 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1k3h h ALA 89 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1k3h h ALA 89 CO -0.02 0.03 0.20 0.93 0.00 0.00 0.00 179.25 180.39 1k3h h GLU 90 N 0.77 1.08 -6.39 0.00 5.08 -0.50 -3.41 114.58 111.21 1k3h h GLU 90 Ca 0.47 -0.24 -0.54 0.00 -1.00 0.00 0.00 59.36 58.05 1k3h h GLU 90 Cb 0.58 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1k3h h GLU 90 CO -0.32 0.94 0.66 0.15 -1.00 0.00 0.00 179.01 179.44 1k3h s LYS 91 N -5.34 4.38 0.00 2.33 1.02 0.29 -4.99 119.74 117.42 1k3h s LYS 91 Ca -0.12 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.62 1k3h s LYS 91 Cb 0.15 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1k3h s LYS 91 CO 0.84 -0.39 0.00 1.63 -0.92 0.00 0.00 175.35 176.51