#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 0.61 3.44 3.03 0.00 -1.26 -4.96 105.19 106.06 2k19 n GLY 2 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2k19 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k19 s LYS 3 N 2.61 3.89 -0.64 1.61 3.01 -1.26 -4.97 119.74 123.99 2k19 s LYS 3 Ca 0.00 -2.34 -0.21 0.00 -1.01 0.00 0.00 55.97 52.41 2k19 s LYS 3 Cb 0.00 -4.92 0.08 0.00 -1.01 0.00 0.00 37.83 31.98 2k19 s LYS 3 CO 0.00 -1.69 0.89 -0.51 0.51 0.00 0.00 175.35 174.55 2k19 s LEU 4 N 1.62 4.71 0.22 3.17 2.01 -1.26 -5.00 118.68 124.15 2k19 s LEU 4 Ca 0.36 -1.14 0.00 0.00 0.01 0.00 0.00 54.13 53.36 2k19 s LEU 4 Cb -0.05 -2.38 -0.04 0.00 0.01 0.00 0.00 46.19 43.73 2k19 s LEU 4 CO -0.05 -1.34 0.15 -0.54 1.01 0.00 0.00 176.35 175.58 2k19 s LYS 5 N 3.62 1.29 -0.02 1.70 1.02 -1.26 -5.14 119.74 120.95 2k19 s LYS 5 Ca 0.19 -1.69 -0.24 0.00 0.02 0.00 0.00 55.97 54.24 2k19 s LYS 5 Cb -0.19 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 2k19 s LYS 5 CO 0.09 -0.41 0.73 -1.58 -0.92 0.00 0.00 175.35 173.25 2k19 s TRP 6 N -4.03 3.64 -0.19 3.18 0.52 -1.26 -5.05 118.94 115.75 2k19 s TRP 6 Ca 0.39 1.35 -0.04 0.00 0.02 0.00 0.00 56.10 57.81 2k19 s TRP 6 Cb 0.06 -2.81 0.10 0.00 -1.15 0.00 0.00 33.47 29.67 2k19 s TRP 6 CO 0.14 0.16 0.33 0.12 0.02 0.00 0.00 176.95 177.72 2k19 s PHE 7 N 0.46 -0.60 0.00 -1.98 5.36 -1.26 -5.08 117.98 114.88 2k19 s PHE 7 Ca 0.38 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 2k19 s PHE 7 Cb -0.19 -0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 2k19 s PHE 7 CO 0.20 -0.54 0.61 0.45 -1.46 0.00 0.00 175.22 174.48 2k19 n SER 8 N 5.36 0.00 0.00 6.13 2.88 -1.26 -5.02 113.62 121.71 2k19 n SER 8 Ca -0.06 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2k19 n SER 8 Cb 0.50 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2k19 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k19 n GLY 9 N -0.11 0.69 0.00 0.46 0.00 -1.26 -5.08 105.19 99.89 2k19 n GLY 9 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -0.93 2.16 -0.02 0.00 -1.26 -4.95 105.19 100.19 2k19 n GLY 10 Ca 0.00 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 2k19 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k19 n LYS 11 N -0.13 2.44 -3.18 1.61 3.00 -1.26 -4.66 118.16 115.98 2k19 n LYS 11 Ca 0.00 -1.54 -0.19 0.00 -0.00 0.00 0.00 58.31 56.57 2k19 n LYS 11 Cb 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 35.03 32.85 2k19 n LYS 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k19 n GLU 12 N 2.30 -2.89 0.18 1.64 1.02 -1.26 -4.80 120.64 116.84 2k19 n GLU 12 Ca 0.50 0.39 0.03 0.00 -0.02 0.00 0.00 57.16 58.06 2k19 n GLU 12 Cb 0.72 -5.03 0.33 0.00 -0.02 0.00 0.00 31.44 27.44 2k19 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k19 h ARG 13 N -0.64 0.00 -0.13 3.49 2.47 -1.95 -2.45 114.38 115.17 2k19 h ARG 13 Ca -0.35 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.14 2k19 h ARG 13 Cb 1.24 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.57 2k19 h ARG 13 CO 0.45 0.42 -0.80 0.77 0.56 0.00 0.00 179.97 181.36 2k19 h SER 14 N 0.00 0.92 0.96 7.04 0.02 -1.96 -3.05 113.55 117.48 2k19 h SER 14 Ca -0.00 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2k19 h SER 14 Cb 0.82 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2k19 h SER 14 CO 0.05 1.43 0.00 0.59 -1.14 0.00 0.00 176.83 177.76 2k19 n ASN 15 N -3.95 0.37 0.46 3.07 5.03 -1.16 -3.74 115.26 115.35 2k19 n ASN 15 Ca -0.08 0.56 -0.19 0.00 0.87 0.00 0.00 54.58 55.73 2k19 n ASN 15 Cb 0.76 -0.65 -0.09 0.00 -1.02 0.00 0.00 39.78 38.78 2k19 n ASN 15 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 2k19 h GLN 16 N 0.00 -1.18 -0.62 3.52 4.15 -1.32 -1.84 115.11 117.82 2k19 h GLN 16 Ca 0.00 0.08 0.12 0.00 0.77 0.00 0.00 58.65 59.62 2k19 h GLN 16 Cb 0.48 0.27 -0.09 0.00 0.21 0.00 0.00 27.48 28.35 2k19 h GLN 16 CO 0.00 -0.79 0.15 0.00 -1.93 0.00 0.00 178.83 176.26 2k19 h ALA 17 N -1.30 0.75 -0.38 3.38 0.00 -1.71 -1.02 119.26 118.99 2k19 h ALA 17 Ca -0.12 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2k19 h ALA 17 Cb 0.96 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2k19 h ALA 17 CO 0.16 -0.29 -0.09 0.93 0.00 0.00 0.00 179.25 179.95 2k19 h GLU 18 N 0.28 0.00 -0.87 0.00 5.08 -1.67 -0.19 114.58 117.22 2k19 h GLU 18 Ca 0.33 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2k19 h GLU 18 Cb 0.49 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2k19 h GLU 18 CO -0.41 0.00 0.49 -0.97 -1.00 0.00 0.00 179.01 177.13 2k19 h ASN 19 N 0.00 1.07 0.44 1.42 -1.24 -0.43 -2.60 115.58 114.24 2k19 h ASN 19 Ca 0.18 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 2k19 h ASN 19 Cb 0.27 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2k19 h ASN 19 CO -0.39 0.85 -0.23 0.40 -1.29 0.00 0.00 177.43 176.77 2k19 h ILE 20 N 1.21 0.53 -0.80 2.57 2.04 -0.08 -2.76 117.51 120.22 2k19 h ILE 20 Ca 0.31 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.33 2k19 h ILE 20 Cb -0.00 0.53 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 2k19 h ILE 20 CO -0.05 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.83 2k19 h ILE 21 N -0.61 0.61 -0.35 -0.67 2.04 -0.94 0.27 117.51 117.85 2k19 h ILE 21 Ca -0.06 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2k19 h ILE 21 Cb 0.48 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2k19 h ILE 21 CO 0.09 0.08 0.24 0.74 0.00 0.00 0.00 178.15 179.30 2k19 h THR 22 N 0.44 0.90 0.08 -0.27 2.02 -1.19 -2.64 112.91 112.25 2k19 h THR 22 Ca 0.46 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.59 2k19 h THR 22 Cb 0.74 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2k19 h THR 22 CO -0.44 0.02 -0.05 -0.78 0.37 0.00 0.00 175.52 174.64 2k19 h ASP 23 N 0.14 -0.13 -1.03 4.18 3.58 -0.20 -1.76 116.42 121.20 2k19 h ASP 23 Ca 0.16 0.01 0.25 0.00 0.42 0.00 0.00 57.03 57.87 2k19 h ASP 23 Cb 0.46 0.04 -0.11 0.00 1.72 0.00 0.00 39.33 41.44 2k19 h ASP 23 CO -0.02 -0.08 0.64 -0.07 -2.88 0.00 0.00 179.24 176.83 2k19 h LEU 24 N -0.12 0.55 0.16 2.28 3.38 -1.54 -0.62 115.31 119.40 2k19 h LEU 24 Ca -0.01 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2k19 h LEU 24 Cb 0.10 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2k19 h LEU 24 CO 0.01 0.10 -0.28 -0.07 0.09 0.00 0.00 178.44 178.29 2k19 h LEU 25 N 0.49 -0.78 -0.95 1.67 -0.00 -1.23 0.11 115.31 114.62 2k19 h LEU 25 Ca 0.61 0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 58.55 2k19 h LEU 25 Cb 1.37 0.29 -0.04 0.00 -0.00 0.00 0.00 40.66 42.28 2k19 h LEU 25 CO -0.37 -0.38 0.41 -0.78 -0.00 0.00 0.00 178.44 177.33 2k19 h ASP 26 N -0.52 1.05 0.69 -0.43 3.58 -0.25 0.19 116.42 120.73 2k19 h ASP 26 Ca 0.02 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 2k19 h ASP 26 Cb 0.52 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.31 2k19 h ASP 26 CO -0.13 0.87 -0.34 -0.78 -2.88 0.00 0.00 179.24 175.98 2k19 h ASP 27 N 1.16 -0.80 0.88 2.28 1.82 -0.72 -2.50 116.42 118.54 2k19 h ASP 27 Ca 0.28 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 2k19 h ASP 27 Cb 0.08 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2k19 h ASP 27 CO -0.04 -0.57 0.00 0.17 -1.61 0.00 0.00 179.24 177.19 2k19 h LEU 28 N -0.94 0.00 -0.86 2.28 8.10 -0.69 -3.13 115.31 120.07 2k19 h LEU 28 Ca -0.09 0.00 0.20 0.00 0.11 0.00 0.00 57.88 58.10 2k19 h LEU 28 Cb 0.72 0.00 -0.12 0.00 -0.44 0.00 0.00 40.66 40.82 2k19 h LEU 28 CO 0.15 0.00 0.34 0.50 -4.11 0.00 0.00 178.44 175.32 2k19 h LYS 29 N 0.00 0.36 -2.73 0.17 3.64 -0.13 -2.19 116.57 115.69 2k19 h LYS 29 Ca 0.00 -0.02 -0.75 0.00 -1.27 0.00 0.00 60.65 58.60 2k19 h LYS 29 Cb 0.44 -0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 32.03 2k19 h LYS 29 CO 0.00 0.24 2.15 0.25 -2.27 0.00 0.00 179.45 179.82 2k19 n THR 30 N -5.07 5.20 -3.95 1.00 -2.24 -1.19 -4.88 114.28 103.15 2k19 n THR 30 Ca 0.20 -4.57 0.00 0.00 -2.27 0.00 0.00 64.05 57.41 2k19 n THR 30 Cb 0.60 -2.06 0.02 0.00 -2.10 0.00 0.00 70.33 66.79 2k19 n THR 30 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k19 n ASP 31 N 1.85 -1.34 -0.18 3.42 2.03 -0.82 -5.03 116.55 116.47 2k19 n ASP 31 Ca 0.56 -1.49 0.03 0.00 0.52 0.00 0.00 54.79 54.41 2k19 n ASP 31 Cb 0.27 2.12 0.06 0.00 -0.72 0.00 0.00 41.12 42.86 2k19 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k19 n LEU 32 N 0.00 2.33 -4.86 -2.67 7.99 -1.26 -4.99 117.00 113.54 2k19 n LEU 32 Ca 0.02 -2.21 -0.32 0.00 -0.01 0.00 0.00 56.01 53.48 2k19 n LEU 32 Cb 0.55 -0.14 -0.06 0.00 -0.11 0.00 0.00 43.42 43.66 2k19 n LEU 32 CO 0.17 0.59 0.30 -1.81 -1.51 0.00 0.00 177.39 175.12 2k19 s ASP 33 N -1.32 6.70 -1.38 -1.43 1.01 -1.26 -4.28 116.67 114.71 2k19 s ASP 33 Ca 0.11 1.08 -0.18 0.00 0.71 0.00 0.00 52.55 54.28 2k19 s ASP 33 Cb 0.08 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.75 2k19 s ASP 33 CO 0.04 -0.11 0.34 -0.46 0.21 0.00 0.00 175.17 175.19 2k19 n ASN 34 N -0.16 -1.58 0.00 0.27 0.23 -1.26 -4.89 115.26 107.88 2k19 n ASN 34 Ca 0.01 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 2k19 n ASN 34 Cb 0.53 -1.58 0.00 0.00 -2.08 0.00 0.00 39.78 36.65 2k19 n ASN 34 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2k19 n GLU 35 N -4.84 0.00 0.30 -3.83 2.13 -1.26 -3.33 120.64 109.81 2k19 n GLU 35 Ca -0.22 0.45 0.17 0.00 0.66 0.00 0.00 57.16 58.22 2k19 n GLU 35 Cb 0.63 -1.25 0.94 0.00 0.27 0.00 0.00 31.44 32.02 2k19 n GLU 35 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2k19 h SER 36 N 0.00 0.00 -0.30 4.31 0.02 -1.95 -2.03 113.55 113.60 2k19 h SER 36 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2k19 h SER 36 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2k19 h SER 36 CO 0.00 0.04 0.20 0.25 -1.14 0.00 0.00 176.83 176.18 2k19 h LEU 37 N 0.00 0.16 -1.93 5.07 7.12 -1.93 -1.22 115.31 122.57 2k19 h LEU 37 Ca -0.00 -0.00 0.22 0.00 0.13 0.00 0.00 57.88 58.23 2k19 h LEU 37 Cb 0.17 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.24 2k19 h LEU 37 CO 0.00 0.11 0.63 0.11 -0.13 0.00 0.00 178.44 179.16 2k19 h LYS 38 N 0.18 0.00 -0.90 1.25 1.57 -1.36 0.12 116.57 117.42 2k19 h LYS 38 Ca 0.13 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.10 2k19 h LYS 38 Cb 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 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 0.48 0.07 3.15 2.10 -1.43 0.31 116.57 121.25 2k19 h LYS 39 Ca 0.36 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.98 2k19 h LYS 39 Cb 1.62 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.84 2k19 h LYS 39 CO -0.00 0.32 -0.03 0.28 -2.00 0.00 0.00 179.45 178.01 2k19 h VAL 40 N 0.49 0.00 -0.62 0.07 2.07 -0.97 -0.79 116.25 116.50 2k19 h VAL 40 Ca 0.47 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 68.07 2k19 h VAL 40 Cb 1.05 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.72 2k19 h VAL 40 CO -0.20 0.00 0.08 -0.07 0.02 0.00 0.00 177.57 177.40 2k19 h LEU 41 N -0.14 -0.12 0.64 2.57 3.38 -1.62 0.97 115.31 121.00 2k19 h LEU 41 Ca -0.01 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k19 h LEU 41 Cb 0.07 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k19 h LEU 41 CO 0.01 -0.05 -0.41 -0.33 0.09 0.00 0.00 178.44 177.75 2k19 h GLU 42 N 0.19 -0.96 0.07 1.13 5.08 -0.48 0.32 114.58 119.93 2k19 h GLU 42 Ca 0.33 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 2k19 h GLU 42 Cb 0.51 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2k19 h GLU 42 CO -0.46 -0.64 -0.45 -0.97 -1.00 0.00 0.00 179.01 175.49 2k19 h ASN 43 N -0.99 -1.37 -0.77 1.42 -1.24 -0.74 -0.60 115.58 111.28 2k19 h ASN 43 Ca -0.09 0.15 0.15 0.00 0.71 0.00 0.00 56.30 57.22 2k19 h ASN 43 Cb 0.80 0.51 -0.10 0.00 0.73 0.00 0.00 38.32 40.26 2k19 h ASN 43 CO 0.08 -0.46 0.32 1.88 -1.29 0.00 0.00 177.43 177.95 2k19 h TYR 44 N -0.62 0.54 -0.89 0.67 0.05 -0.83 0.10 116.97 115.99 2k19 h TYR 44 Ca -0.00 0.04 0.08 0.00 0.05 0.00 0.00 58.73 58.90 2k19 h TYR 44 Cb 0.63 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 2k19 h TYR 44 CO -0.45 0.06 0.58 1.25 -1.05 0.00 0.00 178.16 178.55 2k19 h LEU 45 N 0.45 0.84 -0.82 3.88 5.85 0.45 -1.15 115.31 124.82 2k19 h LEU 45 Ca 0.43 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 59.06 2k19 h LEU 45 Cb 0.66 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2k19 h LEU 45 CO -0.41 0.52 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.94 2k19 h GLU 46 N 0.94 0.68 -0.66 1.25 4.57 0.72 -2.77 114.58 119.32 2k19 h GLU 46 Ca 0.40 -0.25 0.13 0.00 -1.18 0.00 0.00 59.36 58.46 2k19 h GLU 46 Cb 0.31 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2k19 h GLU 46 CO -0.16 0.83 0.44 0.93 -1.18 0.00 0.00 179.01 179.87 2k19 h GLU 47 N 0.60 0.33 -0.67 1.92 5.08 -0.57 0.01 114.58 121.28 2k19 h GLU 47 Ca 0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2k19 h GLU 47 Cb 0.66 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2k19 h GLU 47 CO 0.05 0.22 0.44 -0.07 -1.00 0.00 0.00 179.01 178.65 2k19 h LEU 48 N 0.34 0.76 -0.84 1.33 3.38 -1.41 -1.65 115.31 117.23 2k19 h LEU 48 Ca 0.31 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2k19 h LEU 48 Cb 0.76 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k19 h LEU 48 CO -0.08 0.55 -0.48 0.11 0.09 0.00 0.00 178.44 178.63 2k19 h LYS 49 N 0.90 0.25 -7.03 1.13 6.56 -1.11 -3.44 116.57 113.83 2k19 h LYS 49 Ca 0.25 -0.13 -0.50 0.00 -1.06 0.00 0.00 60.65 59.20 2k19 h LYS 49 Cb -0.09 0.01 0.06 0.00 -0.57 0.00 0.00 32.23 31.63 2k19 h LYS 49 CO -0.06 0.68 0.45 -0.65 -2.06 0.00 0.00 179.45 177.81 2k19 s GLN 50 N -4.02 3.71 -0.01 3.15 -0.21 -0.62 -4.93 119.66 116.74 2k19 s GLN 50 Ca -0.04 1.65 0.11 0.00 0.02 0.00 0.00 55.36 57.10 2k19 s GLN 50 Cb 0.13 -2.29 0.34 0.00 1.00 0.00 0.00 33.01 32.19 2k19 s GLN 50 CO 0.78 -0.56 1.27 0.36 -2.12 0.00 0.00 175.29 175.02 2k19 n LYS 51 N -0.69 1.93 0.00 2.91 2.85 -1.26 -4.40 118.16 119.50 2k19 n LYS 51 Ca 0.08 -1.36 0.00 0.00 -1.05 0.00 0.00 58.31 55.98 2k19 n LYS 51 Cb 0.49 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 2k19 n LYS 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2k19 n SER 52 N 0.58 0.00 -4.76 -5.58 2.88 -1.26 -4.91 113.62 100.56 2k19 n SER 52 Ca 0.13 0.22 -0.39 0.00 -1.33 0.00 0.00 58.87 57.49 2k19 n SER 52 Cb 0.34 -0.29 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 2k19 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k19 s ALA 53 N -3.53 3.32 0.60 -1.46 0.00 -1.26 -5.02 121.76 114.41 2k19 s ALA 53 Ca 0.00 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 2k19 s ALA 53 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2k19 s ALA 53 CO 0.00 -0.26 1.04 0.45 0.00 0.00 0.00 175.76 176.99 2k19 s SER 54 N -1.00 5.87 0.12 0.00 0.15 -1.26 -4.83 113.70 112.74 2k19 s SER 54 Ca 0.49 1.72 -0.31 0.00 0.70 0.00 0.00 55.95 58.55 2k19 s SER 54 Cb -0.31 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.40 2k19 s SER 54 CO 0.39 -1.11 1.58 0.58 1.20 0.00 0.00 173.24 175.89 2k19 h VAL 55 N 0.26 0.14 0.00 4.45 2.07 -1.94 -0.24 116.25 120.99 2k19 h VAL 55 Ca -0.46 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 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 -0.08 1.55 0.02 0.00 0.00 177.57 179.64 2k19 h PRO 56 N -0.60 0.00 0.00 1.57 0.13 -1.94 -2.41 132.00 128.75 2k19 h PRO 56 Ca 0.04 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.04 2k19 h PRO 56 Cb 0.67 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 2k19 h PRO 56 CO -0.30 0.08 -0.62 -0.07 -0.23 0.00 0.00 178.00 176.86 2k19 h LEU 57 N 0.00 0.00 0.06 1.56 3.38 -1.64 -2.57 115.31 116.10 2k19 h LEU 57 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2k19 h LEU 57 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k19 h LEU 57 CO 0.01 0.62 -1.09 0.40 0.09 0.00 0.00 178.44 178.47 2k19 h ILE 58 N 0.00 1.16 -0.96 1.22 2.04 -0.79 -3.29 117.51 116.89 2k19 h ILE 58 Ca -0.01 -2.34 0.03 0.00 1.00 0.00 0.00 64.86 63.55 2k19 h ILE 58 Cb 1.22 2.73 -0.06 0.00 -0.74 0.00 0.00 36.82 39.97 2k19 h ILE 58 CO 0.08 0.58 0.62 -0.07 0.00 0.00 0.00 178.15 179.37 2k19 h LEU 59 N -0.62 1.04 0.22 1.44 3.38 -1.53 -0.03 115.31 119.22 2k19 h LEU 59 Ca -0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2k19 h LEU 59 Cb 1.50 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2k19 h LEU 59 CO -0.02 0.72 -0.21 0.77 0.09 0.00 0.00 178.44 179.79 2k19 h SER 60 N 1.22 -0.57 -0.73 -0.43 4.64 -1.61 -2.02 113.55 114.05 2k19 h SER 60 Ca 0.38 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.71 2k19 h SER 60 Cb -0.01 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 2k19 h SER 60 CO -0.12 -0.32 0.29 0.03 -0.87 0.00 0.00 176.83 175.85 2k19 h ARG 61 N -0.46 1.10 0.24 4.77 -0.00 -1.56 -2.61 114.38 115.86 2k19 h ARG 61 Ca -0.00 -0.19 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 2k19 h ARG 61 Cb 0.43 -0.18 -0.04 0.00 0.00 0.00 0.00 29.97 30.18 2k19 h ARG 61 CO -0.04 0.90 -0.49 1.98 0.00 0.00 0.00 179.97 182.32 2k19 h MET 62 N 1.08 -0.76 -0.36 0.04 4.05 -0.64 0.23 114.93 118.56 2k19 h MET 62 Ca 0.25 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.79 2k19 h MET 62 Cb 0.21 0.17 -0.07 0.00 -0.80 0.00 0.00 31.60 31.12 2k19 h MET 62 CO -0.02 -0.51 -0.05 -0.97 0.23 0.00 0.00 176.91 175.59 2k19 h ASN 63 N -0.79 -0.26 0.25 1.39 -1.24 -1.33 0.36 115.58 113.96 2k19 h ASN 63 Ca -0.03 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2k19 h ASN 63 Cb 0.75 0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.99 2k19 h ASN 63 CO -0.19 -0.09 0.00 -0.07 -1.29 0.00 0.00 177.43 175.79 2k19 h LEU 64 N 0.04 0.00 0.04 0.34 -0.00 -1.10 -0.87 115.31 113.76 2k19 h LEU 64 Ca 0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.76 2k19 h LEU 64 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2k19 h LEU 64 CO -0.34 0.00 -1.61 -0.67 -0.00 0.00 0.00 178.44 175.81 2k19 n ASP 65 N -2.55 1.96 -0.21 -0.43 -0.08 0.84 -4.07 116.55 112.01 2k19 n ASP 65 Ca -0.01 0.33 -0.08 0.00 -1.51 0.00 0.00 54.79 53.53 2k19 n ASP 65 Cb 0.11 -0.91 0.03 0.00 2.34 0.00 0.00 41.12 42.68 2k19 n ASP 65 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2k19 h ILE 66 N -0.62 1.24 -0.65 5.18 2.04 -0.14 -2.71 117.51 121.84 2k19 h ILE 66 Ca -0.40 -0.80 0.13 0.00 1.00 0.00 0.00 64.86 64.80 2k19 h ILE 66 Cb 1.58 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 38.20 2k19 h ILE 66 CO -0.12 0.30 0.11 0.77 0.00 0.00 0.00 178.15 179.21 2k19 h SER 67 N 0.83 -0.07 0.10 1.72 4.64 -1.36 0.17 113.55 119.58 2k19 h SER 67 Ca 0.19 0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 2k19 h SER 67 Cb 0.27 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2k19 h SER 67 CO -0.01 -0.04 -0.25 0.07 -0.87 0.00 0.00 176.83 175.72 2k19 h LYS 68 N 0.22 0.26 0.00 4.77 2.10 -1.66 -2.16 116.57 120.10 2k19 h LYS 68 Ca 0.35 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2k19 h LYS 68 Cb 0.57 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2k19 h LYS 68 CO -0.48 0.51 0.00 0.00 -2.00 0.00 0.00 179.45 177.48 2k19 h ALA 69 N 1.50 1.00 -0.07 0.07 0.00 -0.37 -2.91 119.26 118.48 2k19 h ALA 69 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k19 h ALA 69 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k19 h ALA 69 CO 0.04 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.40 2k19 n ILE 70 N -2.95 0.00 0.19 0.00 5.41 -0.77 -2.93 119.36 118.32 2k19 n ILE 70 Ca -0.00 1.29 0.17 0.00 1.00 0.00 0.00 62.75 65.21 2k19 n ILE 70 Cb 0.23 -2.29 0.81 0.00 -0.71 0.00 0.00 39.64 37.68 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 0.00 0.00 0.38 0.11 -1.68 0.36 114.38 113.55 2k19 h ARG 71 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k19 h ARG 71 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2k19 h ARG 71 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 2k19 n ASN 72 N -3.87 0.00 -1.90 0.08 5.03 -1.10 -3.21 115.26 110.29 2k19 n ASN 72 Ca 0.02 0.80 -0.06 0.00 0.87 0.00 0.00 54.58 56.21 2k19 n ASN 72 Cb 0.34 -0.30 0.27 0.00 -1.02 0.00 0.00 39.78 39.07 2k19 n ASN 72 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2k19 n ASP 73 N -1.64 4.53 -3.80 6.41 8.00 -1.15 -4.92 116.55 123.99 2k19 n ASP 73 Ca 0.00 -3.10 -0.23 0.00 0.71 0.00 0.00 54.79 52.17 2k19 n ASP 73 Cb 0.00 -0.73 0.01 0.00 -0.02 0.00 0.00 41.12 40.38 2k19 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k19 n GLY 74 N -0.13 -0.28 3.84 0.44 0.00 0.71 -4.95 105.19 104.83 2k19 n GLY 74 Ca 0.38 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 2k19 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k19 s VAL 75 N -3.74 4.47 -0.12 1.61 1.01 0.92 -4.98 120.40 119.58 2k19 s VAL 75 Ca 0.05 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 2k19 s VAL 75 Cb -0.03 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.70 2k19 s VAL 75 CO 0.84 -0.69 0.05 -0.89 0.00 0.00 0.00 175.10 174.42 2k19 s THR 76 N -2.62 0.10 0.09 3.92 2.01 -1.26 -4.72 115.64 113.16 2k19 s THR 76 Ca 0.59 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 2k19 s THR 76 Cb -0.10 -0.52 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 2k19 s THR 76 CO 0.32 -0.03 1.17 -0.76 -0.69 0.00 0.00 174.62 174.63 2k19 s LEU 77 N 2.07 4.40 1.11 4.42 1.43 -1.26 -5.03 118.68 125.82 2k19 s LEU 77 Ca 0.03 2.02 -0.19 0.00 -1.03 0.00 0.00 54.13 54.97 2k19 s LEU 77 Cb -0.14 -3.59 0.26 0.00 0.03 0.00 0.00 46.19 42.75 2k19 s LEU 77 CO -0.06 -0.40 1.23 -0.44 0.23 0.00 0.00 176.35 176.91 2k19 s SER 78 N 0.75 1.74 0.06 2.29 0.01 -1.26 -4.56 113.70 112.73 2k19 s SER 78 Ca 0.56 0.34 -0.20 0.00 1.31 0.00 0.00 55.95 57.97 2k19 s SER 78 Cb -0.29 -0.40 -0.08 0.00 0.21 0.00 0.00 66.02 65.45 2k19 s SER 78 CO 0.31 -3.59 1.31 -0.78 0.41 0.00 0.00 173.24 170.90 2k19 h ASP 79 N -2.23 -0.89 -0.96 2.44 3.58 -1.99 0.10 116.42 116.48 2k19 h ASP 79 Ca -0.43 0.09 0.16 0.00 0.42 0.00 0.00 57.03 57.27 2k19 h ASP 79 Cb 1.25 0.32 -0.08 0.00 1.72 0.00 0.00 39.33 42.54 2k19 h ASP 79 CO 0.31 -0.32 0.60 0.10 -2.88 0.00 0.00 179.24 177.05 2k19 h TYR 80 N -0.44 0.94 0.38 0.28 -0.00 -1.98 -0.50 116.97 115.65 2k19 h TYR 80 Ca -0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.73 2k19 h TYR 80 Cb 0.44 -0.29 0.00 0.00 -0.00 0.00 0.00 36.73 36.88 2k19 h TYR 80 CO -0.36 0.30 -0.18 1.96 -0.00 0.00 0.00 178.16 179.88 2k19 h GLN 81 N 0.75 -0.49 -0.96 0.10 4.20 -1.70 0.20 115.11 117.22 2k19 h GLN 81 Ca 0.50 0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.46 2k19 h GLN 81 Cb 0.78 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.59 2k19 h GLN 81 CO -0.27 -0.33 0.62 1.03 -0.67 0.00 0.00 178.83 179.21 2k19 h SER 82 N -0.51 0.51 0.30 1.46 0.87 -0.56 -0.87 113.55 114.75 2k19 h SER 82 Ca -0.05 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2k19 h SER 82 Cb 0.39 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2k19 h SER 82 CO 0.08 0.18 -0.14 0.11 -0.53 0.00 0.00 176.83 176.53 2k19 h LYS 83 N 0.49 -0.39 0.00 2.24 1.57 -0.91 -2.76 116.57 116.81 2k19 h LYS 83 Ca 0.52 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2k19 h LYS 83 Cb 1.17 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2k19 h LYS 83 CO -0.24 -0.08 0.05 1.57 -0.57 0.00 0.00 179.45 180.17 2k19 h LYS 84 N -0.70 0.00 -0.26 3.15 5.09 0.40 -0.84 116.57 123.40 2k19 h LYS 84 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.62 2k19 h LYS 84 Cb 0.48 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.80 2k19 h LYS 84 CO 0.07 0.00 -0.18 1.25 -2.09 0.00 0.00 179.45 178.50 2k19 h LEU 85 N 0.00 0.46 0.00 7.07 5.85 -0.89 -1.84 115.31 125.95 2k19 h LEU 85 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2k19 h LEU 85 Cb 0.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2k19 h LEU 85 CO 0.00 0.66 0.00 2.29 -0.34 0.00 0.00 178.44 181.05 2k19 n LYS 86 N -4.17 0.09 0.00 1.25 2.85 -0.32 -3.34 118.16 114.51 2k19 n LYS 86 Ca 0.00 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 2k19 n LYS 86 Cb 0.35 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 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 -0.69 -2.97 120.64 113.40 2k19 n GLU 87 Ca 0.05 0.08 0.03 0.00 -0.42 0.00 0.00 57.16 56.91 2k19 n GLU 87 Cb 0.17 -1.08 0.15 0.00 -0.57 0.00 0.00 31.44 30.12 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 -0.74 0.00 -0.18 -4.62 -0.00 -1.25 -2.36 117.00 107.83 2k19 n LEU 88 Ca 0.00 0.43 -0.09 0.00 -0.00 0.00 0.00 56.01 56.34 2k19 n LEU 88 Cb 0.00 -0.43 0.01 0.00 -0.00 0.00 0.00 43.42 43.00 2k19 n LEU 88 CO 0.00 -0.33 0.84 0.74 -0.00 0.00 0.00 177.39 178.64 2k19 h THR 89 N 0.00 1.26 0.01 1.47 2.02 -1.53 0.24 112.91 116.37 2k19 h THR 89 Ca 0.00 -1.02 -0.24 0.00 0.77 0.00 0.00 66.41 65.92 2k19 h THR 89 Cb 0.10 0.89 0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2k19 h THR 89 CO 0.00 0.36 -0.93 -1.28 0.37 0.00 0.00 175.52 174.04 2k19 h SER 90 N 0.78 0.81 -0.12 4.18 0.87 -1.36 -3.32 113.55 115.38 2k19 h SER 90 Ca 0.16 -0.75 -0.02 0.00 -1.23 0.00 0.00 61.79 59.94 2k19 h SER 90 Cb 0.46 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2k19 h SER 90 CO 0.02 1.46 -0.01 0.40 -0.53 0.00 0.00 176.83 178.16 2k19 h ILE 91 N 0.25 1.27 -3.84 2.23 2.04 -1.60 -3.44 117.51 114.43 2k19 h ILE 91 Ca -0.12 -0.89 -0.51 0.00 1.00 0.00 0.00 64.86 64.34 2k19 h ILE 91 Cb 1.60 1.61 0.03 0.00 -0.74 0.00 0.00 36.82 39.33 2k19 h ILE 91 CO 0.18 0.26 0.51 -0.55 0.00 0.00 0.00 178.15 178.55 2k19 s SER 92 N -5.77 7.07 -1.33 1.72 0.15 0.84 -4.94 113.70 111.45 2k19 s SER 92 Ca -0.14 2.35 -0.13 0.00 0.70 0.00 0.00 55.95 58.72 2k19 s SER 92 Cb 0.05 -2.63 0.11 0.00 -1.71 0.00 0.00 66.02 61.84 2k19 s SER 92 CO 0.71 -0.29 1.88 0.59 1.20 0.00 0.00 173.24 177.34 2k19 n ASN 93 N 0.94 4.71 -3.57 5.45 3.02 -1.26 -4.81 115.26 119.74 2k19 n ASN 93 Ca -0.00 -2.97 -0.40 0.00 -0.03 0.00 0.00 54.58 51.18 2k19 n ASN 93 Cb 0.45 -1.60 -0.02 0.00 -0.61 0.00 0.00 39.78 37.99 2k19 n ASN 93 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2k19 n ILE 94 N 4.70 3.36 -3.32 2.41 5.41 -1.26 -4.73 119.36 125.94 2k19 n ILE 94 Ca 0.45 -2.58 -0.10 0.00 1.00 0.00 0.00 62.75 61.52 2k19 n ILE 94 Cb 0.40 -2.53 -0.07 0.00 -0.71 0.00 0.00 39.64 36.73 2k19 n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k19 s ARG 95 N 3.21 0.39 0.49 0.38 1.70 -1.26 -5.16 118.95 118.71 2k19 s ARG 95 Ca 0.54 0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.99 2k19 s ARG 95 Cb 0.15 -0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.17 2k19 s ARG 95 CO -0.05 -0.96 0.07 2.48 -1.08 0.00 0.00 175.30 175.77 2k19 n TYR 96 N 5.35 0.79 0.00 5.89 0.18 -1.26 -5.05 117.16 123.06 2k19 n TYR 96 Ca -0.00 -2.33 0.00 0.00 1.88 0.00 0.00 57.90 57.45 2k19 n TYR 96 Cb 0.49 -0.34 0.00 0.00 -0.38 0.00 0.00 39.34 39.12 2k19 n TYR 96 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k19 n GLY 97 N -0.81 -0.12 0.46 -7.48 0.00 -1.26 -5.32 105.19 90.66 2k19 n GLY 97 Ca -0.17 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.87 2k19 n GLY 97 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60