#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k19 n GLY 2 N 0.00 -2.14 0.49 3.03 0.00 -1.26 -4.69 105.19 100.62 2k19 n GLY 2 Ca 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 44.83 2k19 n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k19 n LYS 3 N -3.49 1.21 -0.86 1.61 4.76 -1.26 -5.02 118.16 115.10 2k19 n LYS 3 Ca -0.01 -2.75 -0.30 0.00 -2.87 0.00 0.00 58.31 52.38 2k19 n LYS 3 Cb 0.44 -1.34 0.18 0.00 -1.84 0.00 0.00 35.03 32.47 2k19 n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k19 s LEU 4 N -2.56 2.11 -0.53 -0.35 1.02 -1.26 -3.10 118.68 114.02 2k19 s LEU 4 Ca 0.33 1.75 0.00 0.00 0.02 0.00 0.00 54.13 56.22 2k19 s LEU 4 Cb 0.31 -4.03 0.00 0.00 0.02 0.00 0.00 46.19 42.49 2k19 s LEU 4 CO -0.04 -3.18 0.00 0.29 0.02 0.00 0.00 176.35 173.44 2k19 n LYS 5 N -4.26 -1.31 -3.83 1.70 5.02 -1.26 -2.81 118.16 111.40 2k19 n LYS 5 Ca 0.08 0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 56.65 2k19 n LYS 5 Cb 0.54 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 2k19 n LYS 5 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2k19 n TRP 6 N -2.37 -1.97 -3.62 2.13 5.03 -1.18 -1.15 117.44 114.32 2k19 n TRP 6 Ca -0.05 0.74 -0.20 0.00 3.03 0.00 0.00 57.50 61.01 2k19 n TRP 6 Cb 0.41 -3.36 0.05 0.00 -1.03 0.00 0.00 31.31 27.37 2k19 n TRP 6 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 2k19 n PHE 7 N -4.37 -2.00 0.06 -5.99 7.35 -1.13 -4.89 117.46 106.50 2k19 n PHE 7 Ca 0.04 0.85 -0.03 0.00 -0.76 0.00 0.00 57.45 57.55 2k19 n PHE 7 Cb 0.52 -4.50 0.21 0.00 0.35 0.00 0.00 39.48 36.06 2k19 n PHE 7 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2k19 h SER 8 N -1.84 0.35 -0.36 -2.13 0.87 -1.37 -3.44 113.55 105.63 2k19 h SER 8 Ca -0.61 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 2k19 h SER 8 Cb 1.35 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2k19 h SER 8 CO 0.54 0.68 0.00 0.61 -0.53 0.00 0.00 176.83 178.13 2k19 n GLY 9 N -0.25 -0.25 0.89 5.77 0.00 -1.26 -4.99 105.19 105.10 2k19 n GLY 9 Ca -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2k19 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k19 n GLY 10 N 5.00 -1.70 0.16 -0.02 0.00 -1.26 -5.00 105.19 102.38 2k19 n GLY 10 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 2k19 n GLY 10 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k19 h LYS 11 N 0.00 0.45 -5.60 1.61 2.10 -2.00 -3.40 116.57 109.73 2k19 h LYS 11 Ca 0.00 -0.48 -0.29 0.00 -2.00 0.00 0.00 60.65 57.88 2k19 h LYS 11 Cb 0.00 0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.43 2k19 h LYS 11 CO 0.00 1.14 0.82 -1.83 -2.00 0.00 0.00 179.45 177.57 2k19 s GLU 12 N -3.27 2.46 0.09 0.07 -1.05 -1.26 -4.72 118.70 111.02 2k19 s GLU 12 Ca -0.06 -0.59 -0.10 0.00 -0.15 0.00 0.00 54.97 54.07 2k19 s GLU 12 Cb 0.09 -5.12 -0.21 0.00 -0.44 0.00 0.00 34.13 28.45 2k19 s GLU 12 CO 0.87 -3.70 1.20 0.00 0.95 0.00 0.00 175.26 174.59 2k19 h ARG 13 N 10.76 0.55 0.30 -4.83 3.08 -2.00 -2.28 114.38 119.96 2k19 h ARG 13 Ca 0.14 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 2k19 h ARG 13 Cb 0.98 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2k19 h ARG 13 CO 1.20 1.26 -0.14 0.66 -1.07 0.00 0.00 179.97 181.88 2k19 h SER 14 N 0.28 -0.34 0.71 7.04 4.64 -1.98 -2.80 113.55 121.11 2k19 h SER 14 Ca -0.13 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2k19 h SER 14 Cb 1.74 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 2k19 h SER 14 CO 0.20 -0.04 0.00 0.78 -0.87 0.00 0.00 176.83 176.90 2k19 h ASN 15 N -0.65 0.00 0.28 4.97 2.35 -1.96 -3.25 115.58 117.31 2k19 h ASN 15 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2k19 h ASN 15 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2k19 h ASN 15 CO 0.07 0.00 -0.15 -0.61 -1.65 0.00 0.00 177.43 175.09 2k19 h GLN 16 N 0.00 -0.38 -1.01 0.81 4.15 -1.12 -1.92 115.11 115.64 2k19 h GLN 16 Ca 0.00 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.65 2k19 h GLN 16 Cb 0.36 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.02 2k19 h GLN 16 CO 0.00 -0.25 0.61 0.00 -1.93 0.00 0.00 178.83 177.26 2k19 h ALA 17 N -1.75 1.69 -0.23 3.38 0.00 -1.59 -0.78 119.26 119.98 2k19 h ALA 17 Ca -0.04 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2k19 h ALA 17 Cb 0.31 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2k19 h ALA 17 CO 0.05 -0.08 -0.09 0.93 0.00 0.00 0.00 179.25 180.06 2k19 h GLU 18 N 0.74 -0.05 -0.56 0.00 5.08 -1.57 -0.01 114.58 118.21 2k19 h GLU 18 Ca 0.59 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.87 2k19 h GLU 18 Cb 0.95 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2k19 h GLU 18 CO -0.40 -0.04 0.02 -0.91 -1.00 0.00 0.00 179.01 176.68 2k19 h ASN 19 N -0.06 0.91 0.76 1.42 2.35 -0.37 -2.74 115.58 117.85 2k19 h ASN 19 Ca 0.12 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 2k19 h ASN 19 Cb 0.23 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2k19 h ASN 19 CO -0.27 0.96 -0.41 0.40 -1.65 0.00 0.00 177.43 176.46 2k19 h ILE 20 N 0.87 0.18 -0.82 2.81 2.04 -0.48 -2.54 117.51 119.56 2k19 h ILE 20 Ca 0.16 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.19 2k19 h ILE 20 Cb 0.49 0.18 -0.10 0.00 -0.74 0.00 0.00 36.82 36.64 2k19 h ILE 20 CO 0.02 0.00 0.36 0.40 0.00 0.00 0.00 178.15 178.93 2k19 h ILE 21 N -1.08 0.62 -0.31 -0.67 2.04 -1.02 0.27 117.51 117.36 2k19 h ILE 21 Ca -0.10 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.66 2k19 h ILE 21 Cb 0.84 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2k19 h ILE 21 CO 0.14 0.09 0.22 0.74 0.00 0.00 0.00 178.15 179.34 2k19 h THR 22 N 0.47 0.91 0.03 -0.27 2.02 -1.25 -2.62 112.91 112.21 2k19 h THR 22 Ca 0.47 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.61 2k19 h THR 22 Cb 0.76 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2k19 h THR 22 CO -0.43 0.02 -0.02 -0.78 0.37 0.00 0.00 175.52 174.68 2k19 h ASP 23 N 0.12 -0.06 -1.05 4.18 1.82 -0.03 -2.56 116.42 118.85 2k19 h ASP 23 Ca 0.14 0.00 0.28 0.00 -0.39 0.00 0.00 57.03 57.06 2k19 h ASP 23 Cb 0.41 0.02 -0.08 0.00 0.68 0.00 0.00 39.33 40.36 2k19 h ASP 23 CO -0.02 -0.03 0.70 -0.07 -1.61 0.00 0.00 179.24 178.21 2k19 h LEU 24 N -0.05 0.33 -0.97 2.28 3.38 -1.54 0.25 115.31 118.99 2k19 h LEU 24 Ca -0.00 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2k19 h LEU 24 Cb 0.04 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 2k19 h LEU 24 CO 0.00 0.07 0.61 -0.07 0.09 0.00 0.00 178.44 179.14 2k19 h LEU 25 N 0.30 0.93 0.85 1.67 -0.00 -1.19 0.21 115.31 118.08 2k19 h LEU 25 Ca 0.57 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 58.44 2k19 h LEU 25 Cb 1.64 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 42.15 2k19 h LEU 25 CO -0.22 0.55 -0.41 -0.78 -0.00 0.00 0.00 178.44 177.58 2k19 h ASP 26 N 1.03 -0.97 0.01 -0.43 1.82 -0.09 -2.51 116.42 115.28 2k19 h ASP 26 Ca 0.45 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 57.11 2k19 h ASP 26 Cb 0.32 0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 2k19 h ASP 26 CO -0.22 -0.66 -0.01 0.44 -1.61 0.00 0.00 179.24 177.19 2k19 h ASP 27 N -1.21 0.00 0.80 2.28 5.19 -1.46 0.35 116.42 122.37 2k19 h ASP 27 Ca -0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2k19 h ASP 27 Cb 0.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2k19 h ASP 27 CO 0.19 0.01 0.00 -0.07 -3.12 0.00 0.00 179.24 176.25 2k19 h LEU 28 N 0.00 0.00 -9.25 1.55 3.38 -0.29 -3.42 115.31 107.28 2k19 h LEU 28 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2k19 h LEU 28 Cb 0.01 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.80 2k19 h LEU 28 CO 0.00 0.00 0.73 1.17 0.09 0.00 0.00 178.44 180.43 2k19 n LYS 29 N -2.38 1.39 -3.05 1.13 4.81 0.11 -0.30 118.16 119.86 2k19 n LYS 29 Ca 0.02 0.50 -0.17 0.00 -0.87 0.00 0.00 58.31 57.79 2k19 n LYS 29 Cb 0.25 -2.20 -0.01 0.00 0.02 0.00 0.00 35.03 33.09 2k19 n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2k19 n THR 30 N 3.65 -0.57 -1.40 3.15 -2.24 -1.26 -4.90 114.28 110.71 2k19 n THR 30 Ca 0.22 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.69 2k19 n THR 30 Cb 0.19 -1.24 0.10 0.00 -2.10 0.00 0.00 70.33 67.28 2k19 n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k19 s ASP 31 N -2.43 4.19 -0.19 3.42 2.15 0.59 -4.95 116.67 119.44 2k19 s ASP 31 Ca 0.25 1.44 0.11 0.00 0.43 0.00 0.00 52.55 54.78 2k19 s ASP 31 Cb -0.14 -2.16 0.66 0.00 -0.30 0.00 0.00 42.92 40.98 2k19 s ASP 31 CO 0.31 -2.18 1.51 0.00 -0.17 0.00 0.00 175.17 174.64 2k19 n LEU 32 N -3.58 4.83 -3.56 -1.34 -0.00 -1.26 -4.83 117.00 107.26 2k19 n LEU 32 Ca 0.07 -2.45 -0.15 0.00 -0.00 0.00 0.00 56.01 53.48 2k19 n LEU 32 Cb 0.55 -0.65 -0.06 0.00 -0.00 0.00 0.00 43.42 43.26 2k19 n LEU 32 CO 0.56 0.56 0.33 -0.62 -0.00 0.00 0.00 177.39 178.22 2k19 s ASP 33 N -0.62 -0.51 -1.27 1.45 -1.08 -1.26 -4.96 116.67 108.40 2k19 s ASP 33 Ca 0.44 0.37 -0.06 0.00 -0.52 0.00 0.00 52.55 52.78 2k19 s ASP 33 Cb 0.33 0.50 -0.01 0.00 -1.46 0.00 0.00 42.92 42.29 2k19 s ASP 33 CO 0.13 -0.67 0.66 0.59 0.52 0.00 0.00 175.17 176.40 2k19 n ASN 34 N 0.63 -2.30 0.13 -0.34 3.02 -1.26 -4.88 115.26 110.26 2k19 n ASN 34 Ca -0.19 -0.91 -0.01 0.00 -0.03 0.00 0.00 54.58 53.44 2k19 n ASN 34 Cb 0.59 -3.70 0.13 0.00 -0.61 0.00 0.00 39.78 36.19 2k19 n ASN 34 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2k19 h GLU 35 N -1.82 0.00 0.00 3.52 4.11 -1.93 -3.28 114.58 115.18 2k19 h GLU 35 Ca -0.63 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.75 2k19 h GLU 35 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2k19 h GLU 35 CO 0.55 0.66 -1.60 0.43 0.07 0.00 0.00 179.01 179.12 2k19 n SER 36 N -3.68 2.27 0.10 3.06 7.64 -1.26 -4.50 113.62 117.25 2k19 n SER 36 Ca -0.01 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.97 2k19 n SER 36 Cb 0.66 1.35 0.58 0.00 -1.01 0.00 0.00 64.21 65.79 2k19 n SER 36 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k19 h LEU 37 N 0.00 0.15 -1.92 -3.43 7.12 -1.94 -1.25 115.31 114.04 2k19 h LEU 37 Ca -0.08 -0.00 0.21 0.00 0.13 0.00 0.00 57.88 58.14 2k19 h LEU 37 Cb 0.84 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.91 2k19 h LEU 37 CO 0.00 0.10 0.62 0.11 -0.13 0.00 0.00 178.44 179.15 2k19 h LYS 38 N 0.18 0.00 -0.90 1.25 1.57 -1.79 0.12 116.57 117.00 2k19 h LYS 38 Ca 0.12 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.08 2k19 h LYS 38 Cb 0.27 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 2k19 h LYS 38 CO -0.02 0.00 0.59 1.57 -0.57 0.00 0.00 179.45 181.02 2k19 h LYS 39 N 0.00 0.52 0.42 3.15 2.10 -1.54 0.26 116.57 121.47 2k19 h LYS 39 Ca 0.34 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.94 2k19 h LYS 39 Cb 1.58 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.79 2k19 h LYS 39 CO -0.00 0.34 -0.20 0.28 -2.00 0.00 0.00 179.45 177.87 2k19 h VAL 40 N 0.53 0.44 0.06 0.07 2.07 -0.97 -0.46 116.25 117.99 2k19 h VAL 40 Ca 0.47 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2k19 h VAL 40 Cb 0.98 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2k19 h VAL 40 CO -0.21 0.08 -0.08 -0.07 0.02 0.00 0.00 177.57 177.31 2k19 h LEU 41 N -0.94 -0.21 0.01 2.57 3.38 -1.51 -0.11 115.31 118.49 2k19 h LEU 41 Ca -0.06 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2k19 h LEU 41 Cb 0.56 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2k19 h LEU 41 CO 0.09 -0.12 -0.15 -0.33 0.09 0.00 0.00 178.44 178.02 2k19 h GLU 42 N -0.17 -0.24 0.26 1.13 5.08 -0.60 0.31 114.58 120.36 2k19 h GLU 42 Ca 0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2k19 h GLU 42 Cb 0.17 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k19 h GLU 42 CO -0.04 -0.16 -0.21 -0.97 -1.00 0.00 0.00 179.01 176.63 2k19 h ASN 43 N -0.25 -0.57 -0.99 1.42 -0.73 -0.92 -1.86 115.58 111.68 2k19 h ASN 43 Ca 0.05 0.04 0.21 0.00 1.87 0.00 0.00 56.30 58.47 2k19 h ASN 43 Cb 0.31 0.18 -0.10 0.00 0.27 0.00 0.00 38.32 38.98 2k19 h ASN 43 CO -0.14 -0.30 0.62 1.88 -0.37 0.00 0.00 177.43 179.12 2k19 h TYR 44 N -0.46 0.91 -0.94 0.67 0.05 -1.00 0.15 116.97 116.35 2k19 h TYR 44 Ca -0.03 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2k19 h TYR 44 Cb 0.39 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 37.79 2k19 h TYR 44 CO -0.09 0.18 0.61 1.25 -1.05 0.00 0.00 178.16 179.07 2k19 h LEU 45 N 0.63 0.95 -1.56 3.88 5.85 -0.01 0.24 115.31 125.28 2k19 h LEU 45 Ca 0.57 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.26 2k19 h LEU 45 Cb 1.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2k19 h LEU 45 CO -0.34 0.60 -0.17 1.05 -0.34 0.00 0.00 178.44 179.23 2k19 h GLU 46 N 1.07 0.00 -0.51 1.25 4.11 0.13 -2.91 114.58 117.72 2k19 h GLU 46 Ca 0.41 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.80 2k19 h GLU 46 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2k19 h GLU 46 CO -0.16 0.17 0.15 0.93 0.07 0.00 0.00 179.01 180.18 2k19 h GLU 47 N 0.00 0.79 -0.84 1.06 4.39 -0.74 -2.01 114.58 117.24 2k19 h GLU 47 Ca -0.00 -0.17 0.23 0.00 0.34 0.00 0.00 59.36 59.76 2k19 h GLU 47 Cb 0.52 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 2k19 h GLU 47 CO 0.02 0.74 0.60 -0.07 -1.16 0.00 0.00 179.01 179.14 2k19 h LEU 48 N 0.69 0.07 0.08 1.33 3.38 -1.45 0.12 115.31 119.53 2k19 h LEU 48 Ca 0.16 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.85 2k19 h LEU 48 Cb 0.28 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2k19 h LEU 48 CO -0.00 0.03 -1.52 0.11 0.09 0.00 0.00 178.44 177.14 2k19 h LYS 49 N 0.07 0.17 -7.71 1.13 6.56 -1.57 -3.47 116.57 111.74 2k19 h LYS 49 Ca 0.41 -0.29 -0.44 0.00 -1.06 0.00 0.00 60.65 59.27 2k19 h LYS 49 Cb 1.51 0.11 0.16 0.00 -0.57 0.00 0.00 32.23 33.44 2k19 h LYS 49 CO -0.03 0.99 0.37 -0.65 -2.06 0.00 0.00 179.45 178.06 2k19 s GLN 50 N -2.62 0.51 0.00 3.15 -1.52 0.41 -5.00 119.66 114.58 2k19 s GLN 50 Ca -0.08 -0.26 0.07 0.00 -1.95 0.00 0.00 55.36 53.15 2k19 s GLN 50 Cb 0.07 -1.82 0.19 0.00 -0.22 0.00 0.00 33.01 31.24 2k19 s GLN 50 CO 0.84 -2.52 1.14 0.36 -0.25 0.00 0.00 175.29 174.85 2k19 n LYS 51 N -3.88 2.71 -0.03 2.91 2.85 -1.26 -4.50 118.16 116.96 2k19 n LYS 51 Ca 0.14 -1.80 0.11 0.00 -1.05 0.00 0.00 58.31 55.71 2k19 n LYS 51 Cb 0.60 -1.18 0.54 0.00 -0.65 0.00 0.00 35.03 34.34 2k19 n LYS 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2k19 n SER 52 N 0.20 0.82 -3.64 -5.58 7.64 -1.26 -4.81 113.62 106.99 2k19 n SER 52 Ca 0.08 -1.47 -0.10 0.00 1.01 0.00 0.00 58.87 58.39 2k19 n SER 52 Cb 0.36 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 2k19 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k19 s ALA 53 N -1.93 -1.94 0.59 -0.43 0.00 -1.26 -5.13 121.76 111.66 2k19 s ALA 53 Ca 0.34 2.02 -0.15 0.00 0.00 0.00 0.00 51.96 54.17 2k19 s ALA 53 Cb 0.17 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2k19 s ALA 53 CO 0.27 -0.30 1.04 -1.12 0.00 0.00 0.00 175.76 175.66 2k19 s SER 54 N 0.55 5.95 0.12 0.00 0.01 -1.26 -4.70 113.70 114.37 2k19 s SER 54 Ca -0.01 1.72 -0.30 0.00 1.31 0.00 0.00 55.95 58.67 2k19 s SER 54 Cb -0.05 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2k19 s SER 54 CO -0.06 -1.05 1.58 0.58 0.41 0.00 0.00 173.24 174.70 2k19 h VAL 55 N 0.37 0.14 0.00 3.43 2.07 -1.92 0.24 116.25 120.58 2k19 h VAL 55 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2k19 h VAL 55 Cb 1.21 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2k19 h VAL 55 CO 0.58 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.72 2k19 h PRO 56 N -0.59 0.00 0.00 1.57 0.13 -1.96 -2.41 132.00 128.74 2k19 h PRO 56 Ca 0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.03 2k19 h PRO 56 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 2k19 h PRO 56 CO -0.32 0.00 -0.80 -0.07 -0.23 0.00 0.00 178.00 176.59 2k19 h LEU 57 N 0.00 0.00 0.03 1.56 4.07 -1.52 -3.09 115.31 116.35 2k19 h LEU 57 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 2k19 h LEU 57 Cb 0.40 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2k19 h LEU 57 CO 0.00 0.62 -1.02 0.40 -1.08 0.00 0.00 178.44 177.36 2k19 h ILE 58 N 0.00 1.13 -0.34 1.22 2.04 -0.65 -3.29 117.51 117.63 2k19 h ILE 58 Ca -0.04 -2.27 0.05 0.00 1.00 0.00 0.00 64.86 63.60 2k19 h ILE 58 Cb 1.51 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 40.18 2k19 h ILE 58 CO 0.07 0.48 0.23 -0.07 0.00 0.00 0.00 178.15 178.87 2k19 h LEU 59 N -0.82 0.19 0.58 1.44 3.38 -1.59 0.25 115.31 118.75 2k19 h LEU 59 Ca -0.26 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2k19 h LEU 59 Cb 1.35 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.07 2k19 h LEU 59 CO -0.10 0.13 -0.28 0.28 0.09 0.00 0.00 178.44 178.56 2k19 h SER 60 N 0.22 -0.66 -0.47 -0.43 0.02 -1.68 -2.53 113.55 108.02 2k19 h SER 60 Ca 0.15 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2k19 h SER 60 Cb 0.31 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2k19 h SER 60 CO -0.03 -0.30 0.04 0.03 -1.14 0.00 0.00 176.83 175.43 2k19 h ARG 61 N -1.06 0.87 0.18 3.45 -0.00 -1.55 -2.95 114.38 113.32 2k19 h ARG 61 Ca -0.08 -0.23 0.01 0.00 -0.50 0.00 0.00 59.98 59.18 2k19 h ARG 61 Cb 0.66 -0.10 -0.04 0.00 0.00 0.00 0.00 29.97 30.48 2k19 h ARG 61 CO 0.13 0.85 -0.47 1.98 0.00 0.00 0.00 179.97 182.46 2k19 h MET 62 N 0.82 -0.72 -0.31 0.04 4.05 -0.51 0.27 114.93 118.56 2k19 h MET 62 Ca 0.16 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.70 2k19 h MET 62 Cb 0.44 0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 31.33 2k19 h MET 62 CO 0.02 -0.48 -0.14 -0.97 0.23 0.00 0.00 176.91 175.56 2k19 h ASN 63 N -0.75 -0.49 0.32 1.39 -0.73 -1.42 0.35 115.58 114.26 2k19 h ASN 63 Ca -0.00 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.29 2k19 h ASN 63 Cb 0.74 0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.60 2k19 h ASN 63 CO -0.23 -0.18 0.00 -0.07 -0.37 0.00 0.00 177.43 176.58 2k19 h LEU 64 N -0.09 0.00 0.00 0.34 4.07 -1.29 0.67 115.31 119.00 2k19 h LEU 64 Ca 0.16 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.04 2k19 h LEU 64 Cb 0.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 2k19 h LEU 64 CO -0.37 0.00 -0.57 -0.78 -1.08 0.00 0.00 178.44 175.63 2k19 h ASP 65 N 0.00 0.00 -0.57 -0.43 1.82 0.31 -3.33 116.42 114.22 2k19 h ASP 65 Ca 0.00 -0.38 -0.04 0.00 -0.39 0.00 0.00 57.03 56.22 2k19 h ASP 65 Cb 0.16 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 2k19 h ASP 65 CO 0.00 1.02 0.20 0.40 -1.61 0.00 0.00 179.24 179.25 2k19 h ILE 66 N -1.00 1.23 -0.89 2.25 2.04 -0.34 -2.56 117.51 118.25 2k19 h ILE 66 Ca -0.12 -0.76 0.19 0.00 1.00 0.00 0.00 64.86 65.17 2k19 h ILE 66 Cb 0.80 0.65 -0.11 0.00 -0.74 0.00 0.00 36.82 37.42 2k19 h ILE 66 CO -0.07 0.29 0.43 -1.28 0.00 0.00 0.00 178.15 177.52 2k19 h SER 67 N 0.80 0.45 0.35 1.72 0.87 -1.06 0.21 113.55 116.89 2k19 h SER 67 Ca 0.19 0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.72 2k19 h SER 67 Cb 0.24 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2k19 h SER 67 CO -0.01 0.11 -0.61 0.07 -0.53 0.00 0.00 176.83 175.86 2k19 h LYS 68 N 0.52 0.26 0.00 2.24 2.10 -1.60 -2.79 116.57 117.30 2k19 h LYS 68 Ca 0.52 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2k19 h LYS 68 Cb 0.89 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2k19 h LYS 68 CO -0.45 0.79 0.00 0.00 -2.00 0.00 0.00 179.45 177.79 2k19 n ALA 69 N -2.47 1.53 -0.04 0.07 0.00 0.66 -2.98 120.51 117.27 2k19 n ALA 69 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k19 n ALA 69 Cb 0.62 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2k19 n ALA 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k19 n ILE 70 N -2.15 0.00 -0.11 0.00 5.41 -0.74 -1.81 119.36 119.96 2k19 n ILE 70 Ca 0.02 1.34 0.07 0.00 1.00 0.00 0.00 62.75 65.18 2k19 n ILE 70 Cb 0.18 -2.33 0.41 0.00 -0.71 0.00 0.00 39.64 37.19 2k19 n ILE 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2k19 h ARG 71 N 0.00 0.59 0.38 0.38 0.11 -1.73 0.48 114.38 114.59 2k19 h ARG 71 Ca 0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2k19 h ARG 71 Cb 0.00 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 30.93 2k19 h ARG 71 CO 0.00 0.39 -0.40 -0.91 0.10 0.00 0.00 179.97 179.15 2k19 h ASN 72 N 0.61 -1.10 -0.31 0.08 2.35 -1.55 -2.30 115.58 113.36 2k19 h ASN 72 Ca 0.26 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2k19 h ASN 72 Cb 0.26 0.37 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2k19 h ASN 72 CO -0.08 -0.52 0.00 -0.67 -1.65 0.00 0.00 177.43 174.51 2k19 n ASP 73 N -4.82 1.71 -2.60 5.81 2.03 -0.75 -4.89 116.55 113.04 2k19 n ASP 73 Ca -0.09 -2.01 -0.13 0.00 0.52 0.00 0.00 54.79 53.08 2k19 n ASP 73 Cb 0.36 -0.22 -0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2k19 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k19 n GLY 74 N 0.98 -0.50 3.88 0.27 0.00 0.15 -4.92 105.19 105.05 2k19 n GLY 74 Ca 0.11 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2k19 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k19 s VAL 75 N -2.59 4.77 -0.06 1.61 0.11 -0.37 -4.97 120.40 118.91 2k19 s VAL 75 Ca 0.07 0.64 -0.00 0.00 -2.93 0.00 0.00 61.98 59.75 2k19 s VAL 75 Cb -0.03 -3.84 0.03 0.00 -1.53 0.00 0.00 36.38 31.00 2k19 s VAL 75 CO 0.08 -0.95 -0.02 -0.89 -3.33 0.00 0.00 175.10 169.99 2k19 s THR 76 N -2.91 0.43 0.13 5.04 2.01 -1.26 -4.66 115.64 114.42 2k19 s THR 76 Ca 0.52 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 2k19 s THR 76 Cb -0.11 -0.52 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 2k19 s THR 76 CO 0.47 0.23 1.15 -0.76 -0.69 0.00 0.00 174.62 175.03 2k19 s LEU 77 N 1.40 4.43 1.11 4.42 1.02 -1.26 -5.04 118.68 124.77 2k19 s LEU 77 Ca -0.04 2.08 -0.19 0.00 0.02 0.00 0.00 54.13 56.01 2k19 s LEU 77 Cb -0.13 -3.59 0.26 0.00 0.02 0.00 0.00 46.19 42.75 2k19 s LEU 77 CO -0.03 -0.35 1.24 -0.44 0.02 0.00 0.00 176.35 176.80 2k19 s SER 78 N 0.41 1.77 0.05 2.29 0.01 -1.26 -4.56 113.70 112.40 2k19 s SER 78 Ca 0.54 0.33 -0.16 0.00 1.31 0.00 0.00 55.95 57.96 2k19 s SER 78 Cb -0.30 -0.37 -0.07 0.00 0.21 0.00 0.00 66.02 65.49 2k19 s SER 78 CO 0.33 -3.57 1.26 -0.78 0.41 0.00 0.00 173.24 170.88 2k19 h ASP 79 N -2.22 -0.73 -1.00 2.44 3.58 -1.99 0.11 116.42 116.62 2k19 h ASP 79 Ca -0.43 0.07 0.18 0.00 0.42 0.00 0.00 57.03 57.27 2k19 h ASP 79 Cb 1.25 0.27 -0.10 0.00 1.72 0.00 0.00 39.33 42.46 2k19 h ASP 79 CO 0.31 -0.27 0.62 0.10 -2.88 0.00 0.00 179.24 177.12 2k19 h TYR 80 N -0.37 1.05 0.31 0.28 -0.00 -1.98 -0.33 116.97 115.93 2k19 h TYR 80 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.74 2k19 h TYR 80 Cb 0.36 -0.32 0.00 0.00 -0.00 0.00 0.00 36.73 36.77 2k19 h TYR 80 CO -0.34 0.27 -0.16 1.96 -0.00 0.00 0.00 178.16 179.89 2k19 h GLN 81 N 0.78 -0.42 -0.98 0.10 4.20 -1.72 0.92 115.11 118.00 2k19 h GLN 81 Ca 0.56 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.53 2k19 h GLN 81 Cb 0.85 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.65 2k19 h GLN 81 CO -0.35 -0.28 0.64 1.03 -0.67 0.00 0.00 178.83 179.21 2k19 h SER 82 N -0.43 0.39 0.22 1.46 0.87 -0.50 -0.86 113.55 114.70 2k19 h SER 82 Ca -0.04 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2k19 h SER 82 Cb 0.33 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2k19 h SER 82 CO 0.06 0.12 -0.11 0.11 -0.53 0.00 0.00 176.83 176.49 2k19 h LYS 83 N 0.37 -0.28 0.00 2.24 1.57 -0.84 -2.71 116.57 116.91 2k19 h LYS 83 Ca 0.52 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2k19 h LYS 83 Cb 1.38 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.75 2k19 h LYS 83 CO -0.21 0.01 0.01 1.57 -0.57 0.00 0.00 179.45 180.26 2k19 h LYS 84 N -0.58 0.00 -0.23 3.15 5.09 0.52 -1.08 116.57 123.43 2k19 h LYS 84 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.63 2k19 h LYS 84 Cb 0.43 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 2k19 h LYS 84 CO 0.05 0.00 -0.21 1.25 -2.09 0.00 0.00 179.45 178.45 2k19 h LEU 85 N 0.00 0.40 0.00 7.07 6.46 -0.95 -1.87 115.31 126.43 2k19 h LEU 85 Ca 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2k19 h LEU 85 Cb 0.02 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2k19 h LEU 85 CO 0.00 0.63 0.00 2.29 -0.62 0.00 0.00 178.44 180.74 2k19 n LYS 86 N -4.16 0.09 0.00 1.25 2.85 -0.41 -3.37 118.16 114.41 2k19 n LYS 86 Ca -0.00 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 2k19 n LYS 86 Cb 0.37 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 2k19 n LYS 86 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k19 n GLU 87 N -1.42 0.00 0.00 -1.58 -0.58 -0.70 -2.75 120.64 113.61 2k19 n GLU 87 Ca 0.06 0.09 0.03 0.00 -0.42 0.00 0.00 57.16 56.92 2k19 n GLU 87 Cb 0.18 -1.08 0.14 0.00 -0.57 0.00 0.00 31.44 30.10 2k19 n GLU 87 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2k19 n LEU 88 N -0.76 0.00 0.00 -4.62 -0.00 -1.25 -2.59 117.00 107.78 2k19 n LEU 88 Ca 0.00 0.45 -0.13 0.00 -0.00 0.00 0.00 56.01 56.33 2k19 n LEU 88 Cb 0.00 -0.45 -0.09 0.00 -0.00 0.00 0.00 43.42 42.89 2k19 n LEU 88 CO 0.00 -0.35 0.73 0.74 -0.00 0.00 0.00 177.39 178.51 2k19 h THR 89 N 0.00 1.23 0.00 1.47 2.02 -1.54 0.68 112.91 116.78 2k19 h THR 89 Ca 0.00 -0.69 -0.18 0.00 0.77 0.00 0.00 66.41 66.30 2k19 h THR 89 Cb 0.10 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2k19 h THR 89 CO 0.00 0.18 -0.84 -1.28 0.37 0.00 0.00 175.52 173.95 2k19 h SER 90 N -0.27 0.14 0.34 4.18 0.87 -1.30 -3.19 113.55 114.32 2k19 h SER 90 Ca 0.00 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.31 2k19 h SER 90 Cb 0.30 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2k19 h SER 90 CO 0.00 0.92 -0.56 0.40 -0.53 0.00 0.00 176.83 177.06 2k19 h ILE 91 N 0.06 1.37 -4.22 2.23 2.04 -1.51 -3.45 117.51 114.04 2k19 h ILE 91 Ca -0.03 -1.88 -0.50 0.00 1.00 0.00 0.00 64.86 63.45 2k19 h ILE 91 Cb 1.46 1.93 0.09 0.00 -0.74 0.00 0.00 36.82 39.56 2k19 h ILE 91 CO 0.12 0.56 0.37 -0.55 0.00 0.00 0.00 178.15 178.65 2k19 s SER 92 N -6.89 5.33 0.16 1.72 0.15 0.23 -4.96 113.70 109.43 2k19 s SER 92 Ca -0.04 1.89 0.05 0.00 0.70 0.00 0.00 55.95 58.55 2k19 s SER 92 Cb 0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2k19 s SER 92 CO 0.79 -1.48 1.36 -1.13 1.20 0.00 0.00 173.24 173.98 2k19 h ASN 93 N 0.04 0.12 -5.81 5.45 -1.24 -1.86 -3.48 115.58 108.79 2k19 h ASN 93 Ca -0.46 -0.11 -0.16 0.00 0.71 0.00 0.00 56.30 56.27 2k19 h ASN 93 Cb 1.23 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.25 2k19 h ASN 93 CO 0.55 0.97 -0.55 -0.38 -1.29 0.00 0.00 177.43 176.73 2k19 n ILE 94 N -3.55 -8.08 0.09 2.57 2.08 -1.26 -4.92 119.36 106.30 2k19 n ILE 94 Ca -0.02 0.17 -0.00 0.00 0.56 0.00 0.00 62.75 63.46 2k19 n ILE 94 Cb 0.85 -5.70 -0.04 0.00 -0.75 0.00 0.00 39.64 34.00 2k19 n ILE 94 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2k19 h ARG 95 N 0.99 0.00 -6.81 0.38 -0.00 -1.99 -3.47 114.38 103.48 2k19 h ARG 95 Ca -0.22 0.00 -0.39 0.00 -0.00 0.00 0.00 59.98 59.37 2k19 h ARG 95 Cb 1.15 0.00 0.21 0.00 -0.00 0.00 0.00 29.97 31.33 2k19 h ARG 95 CO 0.28 0.54 -0.38 0.66 -0.00 0.00 0.00 179.97 181.06 2k19 n TYR 96 N -3.15 -2.14 0.00 4.08 4.02 -1.26 -4.79 117.16 113.92 2k19 n TYR 96 Ca -0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 2k19 n TYR 96 Cb 0.81 -1.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.61 2k19 n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k19 n GLY 97 N 1.71 0.92 0.00 2.72 0.00 -1.26 -5.23 105.19 104.06 2k19 n GLY 97 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k19 n GLY 97 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90