#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 5.94 0.21 4.52 1.11 -1.26 -4.89 116.67 122.30 1k3g s ASP 23 Ca 0.00 0.35 -0.20 0.00 0.18 0.00 0.00 52.55 52.88 1k3g s ASP 23 Cb 0.00 -2.54 0.18 0.00 1.07 0.00 0.00 42.92 41.62 1k3g s ASP 23 CO 0.00 -1.84 1.55 0.00 1.18 0.00 0.00 175.17 176.06 1k3g h ALA 24 N 11.92 0.02 -0.97 5.23 0.00 -1.92 0.90 119.26 134.42 1k3g h ALA 24 Ca -0.27 0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1k3g h ALA 24 Cb 1.11 1.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1k3g h ALA 24 CO 1.18 -0.69 0.64 0.93 0.00 0.00 0.00 179.25 181.31 1k3g h GLU 25 N -0.03 1.26 -0.41 0.00 5.08 -1.93 0.50 114.58 119.05 1k3g h GLU 25 Ca 0.30 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1k3g h GLU 25 Cb 0.57 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1k3g h GLU 25 CO -0.94 0.83 0.15 0.00 -1.00 0.00 0.00 179.01 178.06 1k3g h ALA 26 N 1.37 0.54 0.25 3.43 0.00 -1.31 0.18 119.26 123.71 1k3g h ALA 26 Ca 0.37 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1k3g h ALA 26 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1k3g h ALA 26 CO -0.09 0.15 -0.18 0.28 0.00 0.00 0.00 179.25 179.42 1k3g h VAL 27 N 0.52 0.62 -0.45 0.00 2.07 -0.40 -1.79 116.25 116.82 1k3g h VAL 27 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1k3g h VAL 27 Cb 0.21 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1k3g h VAL 27 CO -0.01 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.14 1k3g h VAL 28 N -0.43 0.63 0.00 2.57 2.07 -0.69 0.21 116.25 120.61 1k3g h VAL 28 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1k3g h VAL 28 Cb 0.37 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1k3g h VAL 28 CO 0.00 0.02 0.22 1.56 0.02 0.00 0.00 177.57 179.39 1k3g h GLN 29 N 0.09 0.00 -0.51 1.57 1.08 -0.33 -0.84 115.11 116.17 1k3g h GLN 29 Ca 0.23 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.13 1k3g h GLN 29 Cb 0.33 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.49 1k3g h GLN 29 CO -0.39 0.00 -0.76 0.94 -0.95 0.00 0.00 178.83 177.67 1k3g n GLN 30 N -2.70 1.16 0.00 1.46 7.27 0.48 -4.80 117.38 120.25 1k3g n GLN 30 Ca -0.02 -2.52 0.00 0.00 0.07 0.00 0.00 57.00 54.53 1k3g n GLN 30 Cb 0.27 -0.67 0.00 0.00 2.41 0.00 0.00 30.24 32.25 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 -0.30 0.00 -0.12 3.69 5.02 0.19 -4.91 118.16 121.73 1k3g n LYS 31 Ca 0.04 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 1k3g n LYS 31 Cb 0.83 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.75 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 0.54 -1.29 0.00 -0.00 -1.38 -0.39 117.51 114.00 1k3g h ILE 33 Ca -0.48 0.00 0.47 0.00 -0.00 0.00 0.00 64.86 64.84 1k3g h ILE 33 Cb 1.40 0.73 -0.15 0.00 -0.00 0.00 0.00 36.82 38.81 1k3g h ILE 33 CO -0.29 0.00 0.81 0.28 -0.00 0.00 0.00 178.15 178.94 1k3g h SER 34 N 0.00 0.23 0.00 2.16 0.02 -1.80 0.26 113.55 114.41 1k3g h SER 34 Ca 0.19 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1k3g h SER 34 Cb 0.89 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1k3g h SER 34 CO -0.00 -0.31 -1.09 0.00 -1.14 0.00 0.00 176.83 174.29 1k3g n HIS 36 N -2.55 0.00 0.00 0.00 8.25 -0.27 -0.22 115.22 120.42 1k3g n HIS 36 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1k3g n HIS 36 Cb 0.53 -0.38 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 0.37 -1.25 0.44 -1.41 0.00 0.88 -0.53 105.19 103.69 1k3g n GLY 37 Ca 0.07 -1.46 0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.73 -0.02 0.00 -1.95 0.64 103.07 101.45 1k3g h GLY 38 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1k3g h GLY 38 CO 0.00 -0.43 0.00 1.22 0.00 0.00 0.00 176.54 177.33 1k3g n ASP 39 N -4.77 2.83 -1.38 0.19 8.00 -1.26 -4.95 116.55 115.22 1k3g n ASP 39 Ca 0.36 -1.87 -0.17 0.00 0.71 0.00 0.00 54.79 53.83 1k3g n ASP 39 Cb 1.36 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 42.34 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 1.18 -1.31 -0.11 0.64 7.99 0.22 -4.73 117.00 120.88 1k3g n LEU 40 Ca 0.13 0.34 0.14 0.00 -0.01 0.00 0.00 56.01 56.61 1k3g n LEU 40 Cb 0.52 -2.40 0.59 0.00 -0.11 0.00 0.00 43.42 42.02 1k3g n LEU 40 CO 0.13 -0.76 0.86 0.35 -1.51 0.00 0.00 177.39 176.46 1k3g n THR 41 N -2.77 0.00 0.00 -5.08 -2.24 -1.12 -1.13 114.28 101.94 1k3g n THR 41 Ca -0.17 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1k3g n THR 41 Cb 0.56 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.30 -1.17 0.01 3.38 0.00 0.31 -4.29 105.19 104.71 1k3g n GLY 42 Ca 0.14 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.84 2.00 1.29 4.61 0.00 -1.12 -4.74 120.51 123.39 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 0.40 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 -1.00 1.55 -3.61 0.00 7.64 0.69 -4.94 113.62 113.94 1k3g n SER 44 Ca 0.00 -1.67 -0.11 0.00 1.01 0.00 0.00 58.87 58.10 1k3g n SER 44 Cb 0.00 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.82 -1.10 0.81 -0.43 0.00 -1.09 -4.93 121.76 113.20 1k3g s ALA 45 Ca 0.32 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 1k3g s ALA 45 Cb 0.17 0.79 0.08 0.00 0.00 0.00 0.00 23.12 24.16 1k3g s ALA 45 CO 0.26 -0.72 1.11 -1.25 0.00 0.00 0.00 175.76 175.16 1k3g s PRO 46 N -3.81 1.92 -0.00 0.00 0.04 -1.26 -4.23 135.00 127.66 1k3g s PRO 46 Ca 0.04 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 1k3g s PRO 46 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1k3g s PRO 46 CO -0.09 -1.92 1.25 0.00 0.04 0.00 0.00 177.00 176.28 1k3g s ALA 47 N -2.79 3.49 -2.19 8.56 0.00 -1.26 -4.36 121.76 123.20 1k3g s ALA 47 Ca 0.63 0.77 0.18 0.00 0.00 0.00 0.00 51.96 53.54 1k3g s ALA 47 Cb -0.19 -3.51 0.17 0.00 0.00 0.00 0.00 23.12 19.59 1k3g s ALA 47 CO 0.56 -0.69 1.10 0.44 0.00 0.00 0.00 175.76 177.17 1k3g n ILE 48 N 4.39 0.09 -0.26 0.00 -5.35 -0.39 -4.64 119.36 113.20 1k3g n ILE 48 Ca 0.11 -0.54 0.08 0.00 -0.27 0.00 0.00 62.75 62.13 1k3g n ILE 48 Cb 0.45 1.30 0.17 0.00 -1.74 0.00 0.00 39.64 39.82 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 1.03 -0.16 -1.38 7.28 2.03 -0.29 -0.35 116.55 124.71 1k3g n ASP 49 Ca 0.11 1.27 0.02 0.00 0.52 0.00 0.00 54.79 56.71 1k3g n ASP 49 Cb 0.46 -0.43 0.28 0.00 -0.72 0.00 0.00 41.12 40.71 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 3.22 -0.29 -0.67 2.85 -1.26 -4.13 118.16 112.78 1k3g n LYS 50 Ca 0.15 -3.01 0.03 0.00 -1.05 0.00 0.00 58.31 54.43 1k3g n LYS 50 Cb 0.49 -2.00 0.17 0.00 -0.65 0.00 0.00 35.03 33.03 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 2.18 1.15 -0.27 0.58 0.00 -0.84 -0.53 119.26 121.54 1k3g h ALA 51 Ca 0.12 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1k3g h ALA 51 Cb 1.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1k3g h ALA 51 CO 0.44 0.07 0.30 0.78 0.00 0.00 0.00 179.25 180.83 1k3g h GLY 52 N 0.75 0.00 0.46 0.00 0.00 -1.44 0.22 103.07 103.05 1k3g h GLY 52 Ca 0.39 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.50 1k3g h GLY 52 CO -0.26 0.00 -1.12 0.00 0.00 0.00 0.00 176.54 175.16 1k3g h ALA 53 N 1.66 0.11 -0.45 3.60 0.00 -1.34 -3.39 119.26 119.45 1k3g h ALA 53 Ca 0.13 -0.96 0.05 0.00 0.00 0.00 0.00 54.91 54.13 1k3g h ALA 53 Cb 0.73 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1k3g h ALA 53 CO -0.00 0.63 0.18 -0.91 0.00 0.00 0.00 179.25 179.15 1k3g h ASN 54 N -0.47 0.21 -5.01 0.00 2.35 -0.18 -3.45 115.58 109.03 1k3g h ASN 54 Ca -0.24 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.42 1k3g h ASN 54 Cb 1.60 0.02 -0.20 0.00 0.05 0.00 0.00 38.32 39.79 1k3g h ASN 54 CO 0.04 0.16 -0.46 -0.31 -1.65 0.00 0.00 177.43 175.21 1k3g s TYR 55 N -6.14 0.04 0.85 1.19 2.02 0.58 -5.09 117.35 110.80 1k3g s TYR 55 Ca -0.13 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 1k3g s TYR 55 Cb 0.13 -0.04 0.10 0.00 -0.40 0.00 0.00 41.96 41.76 1k3g s TYR 55 CO 0.72 -0.33 1.18 -1.54 -1.57 0.00 0.00 175.55 174.01 1k3g s SER 56 N -1.60 4.13 0.26 2.29 1.04 -1.26 -4.00 113.70 114.55 1k3g s SER 56 Ca -0.12 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.07 1k3g s SER 56 Cb -0.05 -1.25 0.54 0.00 0.10 0.00 0.00 66.02 65.36 1k3g s SER 56 CO 0.00 -2.15 1.71 1.05 0.98 0.00 0.00 173.24 174.83 1k3g h GLU 57 N -1.22 0.37 -0.33 4.02 9.09 -1.90 0.10 114.58 124.71 1k3g h GLU 57 Ca -0.47 -0.02 0.04 0.00 0.05 0.00 0.00 59.36 58.96 1k3g h GLU 57 Cb 1.32 -0.08 -0.04 0.00 -1.65 0.00 0.00 28.75 28.30 1k3g h GLU 57 CO 0.63 0.24 0.10 0.93 0.05 0.00 0.00 179.01 180.96 1k3g h GLU 58 N 0.38 0.23 -0.11 1.06 5.08 -1.94 0.27 114.58 119.55 1k3g h GLU 58 Ca 0.46 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1k3g h GLU 58 Cb 0.78 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1k3g h GLU 58 CO -0.48 0.15 -0.10 0.93 -1.00 0.00 0.00 179.01 178.52 1k3g h GLU 59 N 0.24 0.27 -0.22 2.33 5.08 -1.55 -0.74 114.58 119.99 1k3g h GLU 59 Ca 0.15 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1k3g h GLU 59 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1k3g h GLU 59 CO -0.16 0.66 0.10 0.82 -1.00 0.00 0.00 179.01 179.43 1k3g h ILE 60 N -0.12 0.99 -0.24 3.13 2.04 -0.74 0.45 117.51 123.02 1k3g h ILE 60 Ca 0.02 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1k3g h ILE 60 Cb 0.61 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1k3g h ILE 60 CO 0.03 0.04 -0.08 0.25 0.00 0.00 0.00 178.15 178.39 1k3g h LEU 61 N 0.22 -0.28 -0.41 1.44 5.85 -0.36 0.22 115.31 121.99 1k3g h LEU 61 Ca 0.09 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1k3g h LEU 61 Cb 0.02 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1k3g h LEU 61 CO -0.06 -0.10 0.09 -0.78 -0.34 0.00 0.00 178.44 177.24 1k3g h ASP 62 N -0.03 0.02 -0.30 1.25 3.58 -0.66 0.13 116.42 120.40 1k3g h ASP 62 Ca 0.12 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1k3g h ASP 62 Cb 0.21 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1k3g h ASP 62 CO -0.26 0.05 0.15 0.40 -2.88 0.00 0.00 179.24 176.70 1k3g h ILE 63 N 0.22 1.13 -0.08 2.25 2.04 0.18 0.42 117.51 123.67 1k3g h ILE 63 Ca 0.20 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1k3g h ILE 63 Cb 0.24 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1k3g h ILE 63 CO -0.26 0.16 -0.05 0.40 0.00 0.00 0.00 178.15 178.40 1k3g h ILE 64 N 0.49 1.34 -0.05 -0.67 2.04 0.44 -1.96 117.51 119.13 1k3g h ILE 64 Ca 0.12 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.77 1k3g h ILE 64 Cb 0.09 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1k3g h ILE 64 CO -0.01 0.31 -0.45 -0.07 0.00 0.00 0.00 178.15 177.92 1k3g h LEU 65 N -0.21 0.13 -2.88 1.44 3.38 -0.10 -0.05 115.31 117.02 1k3g h LEU 65 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1k3g h LEU 65 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1k3g h LEU 65 CO 0.01 0.57 -0.01 0.59 0.09 0.00 0.00 178.44 179.69 1k3g n ASN 66 N -3.99 1.97 0.00 -0.43 3.02 0.14 -1.75 115.26 114.22 1k3g n ASN 66 Ca -0.02 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 1k3g n ASN 66 Cb 0.49 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.79 0.97 0.00 7.41 0.00 -0.74 -4.42 105.19 107.63 1k3g n GLY 67 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 4.51 0.00 0.00 1.61 7.27 -0.64 -4.53 117.38 125.61 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 -0.05 1.75 0.24 1.69 0.00 -1.26 0.31 105.19 107.88 1k3g n GLY 69 Ca 0.00 0.42 0.14 0.00 0.00 0.00 0.00 46.02 46.58 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 -5.39 -0.02 0.00 -2.02 -3.44 103.07 92.20 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 1.09 -0.29 0.00 0.00 0.00 176.54 177.34 1k3g s MET 71 N -3.45 4.12 -0.09 4.80 0.00 0.15 -4.97 119.30 119.85 1k3g s MET 71 Ca 0.04 2.10 -0.30 0.00 0.00 0.00 0.00 55.69 57.53 1k3g s MET 71 Cb 0.07 -3.99 -0.02 0.00 0.00 0.00 0.00 34.83 30.89 1k3g s MET 71 CO 0.61 -0.92 1.18 -1.25 0.00 0.00 0.00 175.02 174.64 1k3g s PRO 72 N 4.14 4.33 0.39 4.11 0.04 -1.26 -1.62 135.00 145.13 1k3g s PRO 72 Ca 0.73 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 1k3g s PRO 72 Cb -0.32 -3.60 -0.09 0.00 0.04 0.00 0.00 34.50 30.53 1k3g s PRO 72 CO 0.29 -0.49 1.33 0.20 0.04 0.00 0.00 177.00 178.37 1k3g s GLY 73 N 1.51 2.94 -0.14 0.56 0.00 -1.26 -3.52 107.32 107.42 1k3g s GLY 73 Ca 0.54 1.29 -0.00 0.00 0.00 0.00 0.00 44.72 46.55 1k3g s GLY 73 CO 0.19 1.90 0.03 0.61 0.00 0.00 0.00 173.10 175.84 1k3g n GLY 74 N 0.67 0.48 0.10 0.20 0.00 -0.03 -4.69 105.19 101.91 1k3g n GLY 74 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.08 0.83 -2.98 -0.61 2.04 -1.61 -3.41 117.51 111.69 1k3g h ILE 75 Ca -0.04 -0.00 -0.62 0.00 1.00 0.00 0.00 64.86 65.20 1k3g h ILE 75 Cb 1.03 0.82 -0.12 0.00 -0.74 0.00 0.00 36.82 37.81 1k3g h ILE 75 CO 0.05 0.00 -0.68 0.00 0.00 0.00 0.00 178.15 177.52 1k3g s ALA 76 N -6.20 3.11 0.06 1.87 0.00 -1.26 -5.07 121.76 114.26 1k3g s ALA 76 Ca -0.13 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.45 1k3g s ALA 76 Cb 0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1k3g s ALA 76 CO 0.68 0.50 -0.04 0.15 0.00 0.00 0.00 175.76 177.05 1k3g s LYS 77 N -2.83 0.62 4.67 0.00 -0.14 -1.26 -4.51 119.74 116.29 1k3g s LYS 77 Ca 0.26 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 1k3g s LYS 77 Cb -0.09 0.10 0.00 0.00 -1.68 0.00 0.00 37.83 36.16 1k3g s LYS 77 CO 0.17 -0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.09 1k3g n GLY 78 N 0.27 2.50 0.39 -3.33 0.00 -1.26 -1.71 105.19 102.04 1k3g n GLY 78 Ca -0.15 -0.37 0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.81 2.06 -0.79 4.61 0.00 -1.99 0.24 119.26 122.58 1k3g h ALA 79 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 79 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1k3g h ALA 79 CO 0.00 -0.39 0.52 1.49 0.00 0.00 0.00 179.25 180.87 1k3g h GLU 80 N 0.51 0.80 0.00 0.00 4.81 -1.69 0.11 114.58 119.12 1k3g h GLU 80 Ca 0.53 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1k3g h GLU 80 Cb 1.16 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 1k3g h GLU 80 CO -0.26 0.53 -0.23 0.00 -0.73 0.00 0.00 179.01 178.33 1k3g h ALA 81 N 1.58 0.03 -0.27 2.92 0.00 -0.46 -3.33 119.26 119.72 1k3g h ALA 81 Ca 0.35 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 81 Cb 0.29 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1k3g h ALA 81 CO -0.13 0.17 -0.20 0.93 0.00 0.00 0.00 179.25 180.03 1k3g h GLU 82 N -1.00 -0.17 -0.33 0.00 5.08 -0.72 0.42 114.58 117.85 1k3g h GLU 82 Ca -0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1k3g h GLU 82 Cb 0.47 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1k3g h GLU 82 CO -0.02 -0.12 0.15 0.00 -1.00 0.00 0.00 179.01 178.02 1k3g h ALA 83 N 0.96 0.40 0.57 3.43 0.00 -0.99 0.62 119.26 124.24 1k3g h ALA 83 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 83 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1k3g h ALA 83 CO -0.38 -0.23 -0.32 0.28 0.00 0.00 0.00 179.25 178.60 1k3g h VAL 84 N 0.32 0.35 -0.37 0.00 2.07 -1.54 0.80 116.25 117.87 1k3g h VAL 84 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1k3g h VAL 84 Cb 0.07 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.10 1k3g h VAL 84 CO -0.11 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.08 1k3g h ALA 85 N -0.43 -0.38 -0.38 1.67 0.00 -0.65 0.12 119.26 119.21 1k3g h ALA 85 Ca -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k3g h ALA 85 Cb 0.66 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1k3g h ALA 85 CO 0.09 -0.83 0.20 0.00 0.00 0.00 0.00 179.25 178.71 1k3g h ALA 86 N 0.49 0.49 0.06 0.00 0.00 -0.78 0.31 119.26 119.83 1k3g h ALA 86 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 86 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1k3g h ALA 86 CO -0.54 0.02 -0.15 2.35 0.00 0.00 0.00 179.25 180.93 1k3g h TRP 87 N 0.49 -0.39 -0.10 0.00 7.01 -0.46 -1.75 115.95 120.74 1k3g h TRP 87 Ca 0.13 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1k3g h TRP 87 Cb 0.07 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1k3g h TRP 87 CO -0.02 -0.22 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.31 1k3g h LEU 88 N -0.28 0.12 -2.19 0.65 3.38 -0.49 -0.02 115.31 116.48 1k3g h LEU 88 Ca 0.03 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1k3g h LEU 88 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1k3g h LEU 88 CO -0.10 0.18 0.19 0.00 0.09 0.00 0.00 178.44 178.79 1k3g h ALA 89 N 1.84 1.89 0.00 1.53 0.00 0.52 -0.80 119.26 124.24 1k3g h ALA 89 Ca 0.03 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1k3g h ALA 89 Cb 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1k3g h ALA 89 CO 0.00 -0.29 -1.73 0.39 0.00 0.00 0.00 179.25 177.63 1k3g n GLU 90 N -3.95 0.63 -2.30 0.00 -0.58 -0.15 -4.68 120.64 109.61 1k3g n GLU 90 Ca 0.02 0.27 -0.41 0.00 -0.42 0.00 0.00 57.16 56.62 1k3g n GLU 90 Cb 0.32 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 1k3g n GLU 90 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1k3g s LYS 91 N -2.62 3.15 0.00 3.49 1.02 -0.33 -5.01 119.74 119.45 1k3g s LYS 91 Ca -0.05 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.44 1k3g s LYS 91 Cb 0.08 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.20 1k3g s LYS 91 CO 0.82 -2.11 0.00 0.36 -0.92 0.00 0.00 175.35 173.50