#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 1.30 3.54 -5.12 0.00 -1.26 -5.00 105.19 98.65 2k19 n GLY 2 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 3.80 3.34 -1.43 1.61 -0.14 -1.26 -4.07 119.74 121.58 2k19 s LYS 3 Ca 0.00 -0.65 -0.07 0.00 -1.36 0.00 0.00 55.97 53.89 2k19 s LYS 3 Cb 0.00 -4.62 0.04 0.00 -1.68 0.00 0.00 37.83 31.58 2k19 s LYS 3 CO 0.00 -2.13 0.80 -0.11 -0.76 0.00 0.00 175.35 173.16 2k19 n LEU 4 N 8.95 -2.73 -4.20 3.17 7.94 -1.26 -4.95 117.00 123.92 2k19 n LEU 4 Ca 0.14 -0.83 -0.36 0.00 -1.11 0.00 0.00 56.01 53.85 2k19 n LEU 4 Cb 0.49 -2.56 -0.13 0.00 0.53 0.00 0.00 43.42 41.75 2k19 n LEU 4 CO 0.68 0.44 -0.33 -0.54 -1.11 0.00 0.00 177.39 176.52 2k19 s LYS 5 N -6.36 2.48 -0.05 1.96 1.02 -1.26 -5.09 119.74 112.45 2k19 s LYS 5 Ca 0.33 -1.24 -0.29 0.00 0.02 0.00 0.00 55.97 54.78 2k19 s LYS 5 Cb -0.16 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2k19 s LYS 5 CO 0.83 -0.63 0.97 -1.58 -0.92 0.00 0.00 175.35 174.02 2k19 s TRP 6 N 1.29 3.59 0.70 3.18 0.52 -1.26 -3.09 118.94 123.86 2k19 s TRP 6 Ca -0.04 1.61 -0.09 0.00 0.02 0.00 0.00 56.10 57.59 2k19 s TRP 6 Cb -0.20 -3.12 0.03 0.00 -1.15 0.00 0.00 33.47 29.03 2k19 s TRP 6 CO -0.00 -0.10 1.05 -0.59 0.02 0.00 0.00 176.95 177.33 2k19 s PHE 7 N 1.45 3.17 -0.38 -1.98 -0.12 -1.26 -4.88 117.98 113.98 2k19 s PHE 7 Ca 0.49 0.79 -0.28 0.00 -0.05 0.00 0.00 56.93 57.89 2k19 s PHE 7 Cb -0.19 -3.09 -0.03 0.00 -0.63 0.00 0.00 43.02 39.07 2k19 s PHE 7 CO 0.23 -1.24 2.01 -1.12 -0.05 0.00 0.00 175.22 175.05 2k19 s SER 8 N -4.41 5.44 0.00 1.98 0.01 -1.26 -4.80 113.70 110.67 2k19 s SER 8 Ca 0.58 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.08 2k19 s SER 8 Cb -0.11 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2k19 s SER 8 CO 0.48 -2.08 0.00 0.61 0.41 0.00 0.00 173.24 172.67 2k19 n GLY 9 N 5.65 4.17 0.00 3.44 0.00 -1.26 -5.13 105.19 112.05 2k19 n GLY 9 Ca 0.26 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.27 0.03 -0.02 0.00 -1.26 -5.02 105.19 99.19 2k19 n GLY 10 Ca 0.00 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.75 2k19 n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k19 n LYS 11 N 0.00 0.95 -3.47 1.61 2.85 -1.26 -4.85 118.16 113.99 2k19 n LYS 11 Ca 0.00 -0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 2k19 n LYS 11 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 2k19 n LYS 11 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2k19 s GLU 12 N -2.09 1.18 0.08 -1.58 2.02 -1.26 -5.03 118.70 112.02 2k19 s GLU 12 Ca 0.44 -0.45 -0.15 0.00 0.02 0.00 0.00 54.97 54.83 2k19 s GLU 12 Cb 0.22 0.53 -0.13 0.00 0.10 0.00 0.00 34.13 34.85 2k19 s GLU 12 CO 0.38 -0.52 1.34 0.00 0.02 0.00 0.00 175.26 176.49 2k19 h ARG 13 N 2.00 0.67 -0.17 1.61 -0.00 -2.00 -1.75 114.38 114.75 2k19 h ARG 13 Ca -0.30 -0.44 -0.10 0.00 -0.50 0.00 0.00 59.98 58.64 2k19 h ARG 13 Cb 1.29 0.06 -0.00 0.00 0.00 0.00 0.00 29.97 31.31 2k19 h ARG 13 CO 0.35 1.06 -0.28 0.77 0.00 0.00 0.00 179.97 181.88 2k19 h SER 14 N 0.37 0.54 0.75 7.04 0.02 -2.00 -2.96 113.55 117.31 2k19 h SER 14 Ca 0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2k19 h SER 14 Cb 1.05 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2k19 h SER 14 CO 0.10 0.97 0.00 -1.13 -1.14 0.00 0.00 176.83 175.62 2k19 h ASN 15 N 0.13 0.00 0.12 3.07 -1.24 -1.96 -3.12 115.58 112.57 2k19 h ASN 15 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 2k19 h ASN 15 Cb 0.86 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.90 2k19 h ASN 15 CO 0.06 0.00 -0.08 -0.61 -1.29 0.00 0.00 177.43 175.51 2k19 h GLN 16 N 0.00 -0.19 -0.50 6.67 4.15 -1.13 -2.67 115.11 121.44 2k19 h GLN 16 Ca 0.00 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.52 2k19 h GLN 16 Cb 0.38 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.04 2k19 h GLN 16 CO 0.00 -0.13 0.07 0.00 -1.93 0.00 0.00 178.83 176.84 2k19 h ALA 17 N 0.68 0.54 -0.75 3.38 0.00 -1.65 -1.18 119.26 120.27 2k19 h ALA 17 Ca -0.01 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.16 2k19 h ALA 17 Cb 0.17 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 2k19 h ALA 17 CO 0.00 -0.33 0.32 1.49 0.00 0.00 0.00 179.25 180.72 2k19 h GLU 18 N 0.20 0.46 -0.57 0.00 4.22 -1.63 -0.03 114.58 117.22 2k19 h GLU 18 Ca 0.25 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.59 2k19 h GLU 18 Cb 0.35 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k19 h GLU 18 CO -0.35 0.31 0.04 -0.91 -2.18 0.00 0.00 179.01 175.92 2k19 h ASN 19 N 0.48 0.92 0.37 1.04 2.35 -0.92 -2.93 115.58 116.87 2k19 h ASN 19 Ca 0.41 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2k19 h ASN 19 Cb 0.60 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 2k19 h ASN 19 CO -0.38 0.95 -0.20 0.40 -1.65 0.00 0.00 177.43 176.54 2k19 h ILE 20 N 0.89 0.58 -0.83 2.81 2.04 -0.07 -2.73 117.51 120.19 2k19 h ILE 20 Ca 0.17 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.20 2k19 h ILE 20 Cb 0.46 0.58 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 2k19 h ILE 20 CO 0.02 0.00 0.38 0.40 0.00 0.00 0.00 178.15 178.94 2k19 h ILE 21 N -0.54 0.63 -0.35 -0.67 2.04 -1.25 0.29 117.51 117.66 2k19 h ILE 21 Ca -0.04 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.75 2k19 h ILE 21 Cb 0.43 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2k19 h ILE 21 CO 0.06 0.09 0.28 0.74 0.00 0.00 0.00 178.15 179.32 2k19 h THR 22 N 0.50 0.72 0.25 -0.27 2.02 -1.30 -2.60 112.91 112.22 2k19 h THR 22 Ca 0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.64 2k19 h THR 22 Cb 0.76 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2k19 h THR 22 CO -0.42 0.00 -0.12 -0.78 0.37 0.00 0.00 175.52 174.57 2k19 h ASP 23 N 0.00 -0.28 -0.60 4.18 1.82 -0.27 0.41 116.42 121.68 2k19 h ASP 23 Ca 0.17 0.01 0.12 0.00 -0.39 0.00 0.00 57.03 56.94 2k19 h ASP 23 Cb 0.72 0.07 -0.11 0.00 0.68 0.00 0.00 39.33 40.69 2k19 h ASP 23 CO -0.00 -0.20 -0.08 -0.07 -1.61 0.00 0.00 179.24 177.28 2k19 h LEU 24 N -0.33 -0.43 -0.55 2.28 3.38 -1.55 0.78 115.31 118.89 2k19 h LEU 24 Ca -0.03 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2k19 h LEU 24 Cb 0.25 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2k19 h LEU 24 CO 0.06 -0.16 0.23 -0.07 0.09 0.00 0.00 178.44 178.58 2k19 h LEU 25 N 0.05 0.27 0.05 1.67 3.38 -1.46 0.21 115.31 119.47 2k19 h LEU 25 Ca 0.30 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2k19 h LEU 25 Cb 0.48 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k19 h LEU 25 CO -0.58 0.17 -0.02 -0.78 0.09 0.00 0.00 178.44 177.33 2k19 h ASP 26 N 0.43 -0.05 -0.15 -0.43 1.82 0.98 -2.54 116.42 116.48 2k19 h ASP 26 Ca 0.27 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2k19 h ASP 26 Cb 0.27 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2k19 h ASP 26 CO -0.24 0.06 0.07 0.44 -1.61 0.00 0.00 179.24 177.96 2k19 h ASP 27 N -0.17 0.22 0.96 2.28 5.19 -0.50 -0.55 116.42 123.86 2k19 h ASP 27 Ca -0.01 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2k19 h ASP 27 Cb 0.15 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 2k19 h ASP 27 CO 0.01 0.21 -0.00 -0.07 -3.12 0.00 0.00 179.24 176.27 2k19 h LEU 28 N 0.26 0.00 -0.13 1.55 3.38 -0.21 -2.58 115.31 117.57 2k19 h LEU 28 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2k19 h LEU 28 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2k19 h LEU 28 CO -0.01 0.00 -0.41 0.50 0.09 0.00 0.00 178.44 178.62 2k19 h LYS 29 N 0.00 -0.40 0.00 1.13 3.64 -0.69 -2.81 116.57 117.43 2k19 h LYS 29 Ca -0.00 0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 2k19 h LYS 29 Cb 0.49 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2k19 h LYS 29 CO 0.00 -0.27 -1.04 1.79 -2.27 0.00 0.00 179.45 177.67 2k19 h THR 30 N -0.42 1.06 -4.24 1.00 1.35 -1.73 -3.46 112.91 106.47 2k19 h THR 30 Ca 0.03 -2.64 -0.50 0.00 -0.55 0.00 0.00 66.41 62.75 2k19 h THR 30 Cb 0.50 2.48 0.12 0.00 -1.73 0.00 0.00 68.15 69.53 2k19 h THR 30 CO -0.35 0.60 0.31 -0.62 -0.25 0.00 0.00 175.52 175.22 2k19 s ASP 31 N -6.34 4.34 -0.28 5.36 2.15 -0.97 -5.00 116.67 115.92 2k19 s ASP 31 Ca 0.00 1.54 0.12 0.00 0.43 0.00 0.00 52.55 54.64 2k19 s ASP 31 Cb 0.09 -2.27 0.47 0.00 -0.30 0.00 0.00 42.92 40.91 2k19 s ASP 31 CO 0.80 -2.10 1.17 0.18 -0.17 0.00 0.00 175.17 175.04 2k19 n LEU 32 N -3.54 3.93 -0.01 -1.34 7.99 -1.26 -4.80 117.00 117.97 2k19 n LEU 32 Ca 0.08 -4.23 -0.00 0.00 -0.01 0.00 0.00 56.01 51.84 2k19 n LEU 32 Cb 0.55 -0.10 -0.00 0.00 -0.11 0.00 0.00 43.42 43.76 2k19 n LEU 32 CO 0.55 1.79 -0.00 -0.78 -1.51 0.00 0.00 177.39 177.44 2k19 h ASP 33 N 2.30 0.00 -2.96 -1.43 3.58 -1.94 -3.46 116.42 112.50 2k19 h ASP 33 Ca 0.22 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 57.00 2k19 h ASP 33 Cb 1.46 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.40 2k19 h ASP 33 CO 0.58 0.07 -0.54 0.20 -2.88 0.00 0.00 179.24 176.68 2k19 s ASN 34 N -3.39 5.90 0.00 2.28 -0.87 -1.26 -4.97 114.94 112.62 2k19 s ASN 34 Ca -0.00 0.31 -0.00 0.00 -1.57 0.00 0.00 52.86 51.60 2k19 s ASN 34 Cb 0.00 -1.84 -0.00 0.00 -0.02 0.00 0.00 41.25 39.39 2k19 s ASN 34 CO 0.00 0.37 -0.00 -0.62 -2.57 0.00 0.00 177.10 174.28 2k19 n GLU 35 N 2.21 0.00 0.08 -0.60 -0.58 -1.26 -4.73 120.64 115.77 2k19 n GLU 35 Ca -0.19 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.56 2k19 n GLU 35 Cb 0.54 -0.18 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 2k19 n GLU 35 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2k19 h SER 36 N -0.01 0.00 -0.43 1.62 0.02 -2.03 -3.31 113.55 109.41 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 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2k19 h SER 36 CO 0.00 0.54 0.29 0.25 -1.14 0.00 0.00 176.83 176.77 2k19 h LEU 37 N 0.00 0.34 -1.89 5.07 7.12 -1.98 -1.06 115.31 122.91 2k19 h LEU 37 Ca -0.08 -0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.10 2k19 h LEU 37 Cb 1.49 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.52 2k19 h LEU 37 CO 0.06 0.23 0.57 0.11 -0.13 0.00 0.00 178.44 179.27 2k19 h LYS 38 N 0.39 0.00 -0.91 1.25 1.57 -1.85 0.72 116.57 117.73 2k19 h LYS 38 Ca 0.18 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.15 2k19 h LYS 38 Cb 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 2k19 h LYS 38 CO -0.04 0.00 0.59 1.57 -0.57 0.00 0.00 179.45 181.00 2k19 h LYS 39 N 0.00 0.49 0.29 3.15 2.10 -1.44 0.26 116.57 121.43 2k19 h LYS 39 Ca 0.28 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.88 2k19 h LYS 39 Cb 1.41 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2k19 h LYS 39 CO -0.00 0.32 -0.14 0.28 -2.00 0.00 0.00 179.45 177.91 2k19 h VAL 40 N 0.50 0.00 -0.59 0.07 2.07 -1.06 -0.93 116.25 116.31 2k19 h VAL 40 Ca 0.48 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.90 2k19 h VAL 40 Cb 1.05 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 2k19 h VAL 40 CO -0.21 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.45 2k19 h LEU 41 N -0.61 0.02 0.36 2.57 -0.00 -1.61 0.81 115.31 116.86 2k19 h LEU 41 Ca -0.04 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2k19 h LEU 41 Cb 0.30 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 2k19 h LEU 41 CO 0.07 0.02 -0.25 -0.33 -0.00 0.00 0.00 178.44 177.95 2k19 h GLU 42 N 0.27 -0.57 0.43 1.13 5.08 -0.57 0.32 114.58 120.67 2k19 h GLU 42 Ca 0.31 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2k19 h GLU 42 Cb 0.45 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k19 h GLU 42 CO -0.39 -0.38 -0.35 -0.91 -1.00 0.00 0.00 179.01 175.98 2k19 h ASN 43 N -0.59 -0.94 -0.77 1.42 -0.26 -0.58 -2.13 115.58 111.73 2k19 h ASN 43 Ca -0.03 0.07 0.15 0.00 -0.56 0.00 0.00 56.30 55.92 2k19 h ASN 43 Cb 0.51 0.30 -0.10 0.00 -1.06 0.00 0.00 38.32 37.97 2k19 h ASN 43 CO 0.01 -0.49 0.31 1.88 -1.06 0.00 0.00 177.43 178.09 2k19 h TYR 44 N -0.76 0.54 -0.26 1.19 0.05 -0.87 0.07 116.97 116.93 2k19 h TYR 44 Ca -0.06 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.82 2k19 h TYR 44 Cb 0.64 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 38.18 2k19 h TYR 44 CO -0.14 0.06 -0.35 1.25 -1.05 0.00 0.00 178.16 177.94 2k19 h LEU 45 N 0.45 -1.11 -1.05 3.88 7.12 -0.08 -0.54 115.31 123.99 2k19 h LEU 45 Ca 0.43 0.17 -0.08 0.00 0.13 0.00 0.00 57.88 58.53 2k19 h LEU 45 Cb 0.65 0.49 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 2k19 h LEU 45 CO -0.41 -0.35 -0.14 -0.33 -0.13 0.00 0.00 178.44 177.08 2k19 h GLU 46 N -0.34 0.52 -0.47 1.25 3.07 -0.67 -2.58 114.58 115.35 2k19 h GLU 46 Ca 0.13 -0.16 0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2k19 h GLU 46 Cb 0.56 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 2k19 h GLU 46 CO -0.45 0.65 0.32 0.93 -1.40 0.00 0.00 179.01 179.06 2k19 h GLU 47 N 0.47 0.23 -0.28 2.33 4.39 0.53 -0.12 114.58 122.13 2k19 h GLU 47 Ca 0.08 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.78 2k19 h GLU 47 Cb 0.53 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2k19 h GLU 47 CO 0.03 0.15 0.18 -0.07 -1.16 0.00 0.00 179.01 178.15 2k19 h LEU 48 N 0.24 0.28 -0.11 1.33 3.38 -0.87 -1.40 115.31 118.16 2k19 h LEU 48 Ca 0.22 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 2k19 h LEU 48 Cb 0.55 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2k19 h LEU 48 CO -0.04 0.20 -0.93 0.11 0.09 0.00 0.00 178.44 177.87 2k19 h LYS 49 N 0.33 0.00 -7.25 1.13 6.56 -1.15 -3.46 116.57 112.73 2k19 h LYS 49 Ca 0.11 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.21 2k19 h LYS 49 Cb 0.02 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 31.73 2k19 h LYS 49 CO -0.02 0.93 0.39 -0.65 -2.06 0.00 0.00 179.45 178.03 2k19 s GLN 50 N -2.84 3.61 -0.06 3.15 -1.52 -0.53 -4.96 119.66 116.51 2k19 s GLN 50 Ca 0.01 0.96 0.12 0.00 -1.95 0.00 0.00 55.36 54.50 2k19 s GLN 50 Cb 0.10 -2.08 0.44 0.00 -0.22 0.00 0.00 33.01 31.25 2k19 s GLN 50 CO 0.81 -0.56 1.30 0.36 -0.25 0.00 0.00 175.29 176.95 2k19 n LYS 51 N -2.13 2.56 0.00 2.91 2.85 -1.26 -3.95 118.16 119.14 2k19 n LYS 51 Ca 0.07 -1.73 0.15 0.00 -1.05 0.00 0.00 58.31 55.75 2k19 n LYS 51 Cb 0.54 -1.59 0.67 0.00 -0.65 0.00 0.00 35.03 33.99 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 0.64 0.60 -3.64 -5.58 2.88 -1.26 -4.83 113.62 102.43 2k19 n SER 52 Ca 0.16 -0.88 -0.10 0.00 -1.33 0.00 0.00 58.87 56.72 2k19 n SER 52 Cb 0.56 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 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 -2.26 -1.94 0.64 -1.46 0.00 -1.25 -5.13 121.76 110.36 2k19 s ALA 53 Ca 0.35 2.03 -0.13 0.00 0.00 0.00 0.00 51.96 54.22 2k19 s ALA 53 Cb 0.21 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 2k19 s ALA 53 CO 0.42 -0.30 1.05 -1.12 0.00 0.00 0.00 175.76 175.81 2k19 s SER 54 N 0.58 5.75 0.12 0.00 0.01 -1.26 -4.77 113.70 114.13 2k19 s SER 54 Ca -0.01 1.64 -0.30 0.00 1.31 0.00 0.00 55.95 58.59 2k19 s SER 54 Cb -0.05 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 2k19 s SER 54 CO -0.07 -1.19 1.58 0.58 0.41 0.00 0.00 173.24 174.56 2k19 h VAL 55 N -0.16 0.15 0.00 3.43 2.07 -1.95 0.10 116.25 119.89 2k19 h VAL 55 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2k19 h VAL 55 Cb 1.21 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 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 -0.57 0.00 0.00 1.57 0.13 -1.95 -1.92 132.00 129.26 2k19 h PRO 56 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 2k19 h PRO 56 Cb 0.65 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 -0.67 -0.07 -0.23 0.00 0.00 178.00 176.71 2k19 h LEU 57 N 0.00 0.00 0.04 1.56 3.38 -1.50 -3.11 115.31 115.68 2k19 h LEU 57 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2k19 h LEU 57 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2k19 h LEU 57 CO 0.00 0.47 -1.74 -0.38 0.09 0.00 0.00 178.44 176.89 2k19 n ILE 58 N -3.13 1.61 -0.05 1.22 5.41 -0.13 -3.83 119.36 120.45 2k19 n ILE 58 Ca -0.00 -0.30 0.08 0.00 1.00 0.00 0.00 62.75 63.53 2k19 n ILE 58 Cb 0.74 -1.89 0.47 0.00 -0.71 0.00 0.00 39.64 38.25 2k19 n ILE 58 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k19 h LEU 59 N -0.62 0.41 0.11 1.39 3.38 -1.51 0.26 115.31 118.75 2k19 h LEU 59 Ca -0.44 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2k19 h LEU 59 Cb 1.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2k19 h LEU 59 CO -0.14 0.27 -0.06 -1.28 0.09 0.00 0.00 178.44 177.32 2k19 h SER 60 N 0.47 -0.13 0.12 -0.43 0.87 -1.71 -2.91 113.55 109.83 2k19 h SER 60 Ca 0.22 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2k19 h SER 60 Cb 0.28 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2k19 h SER 60 CO -0.06 0.16 -0.39 0.03 -0.53 0.00 0.00 176.83 176.04 2k19 h ARG 61 N -0.43 0.36 0.13 2.24 -0.00 -1.55 -3.16 114.38 111.98 2k19 h ARG 61 Ca -0.02 -0.17 0.02 0.00 -0.50 0.00 0.00 59.98 59.31 2k19 h ARG 61 Cb 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.27 2k19 h ARG 61 CO 0.03 0.70 -0.46 1.98 0.00 0.00 0.00 179.97 182.22 2k19 h MET 62 N 0.31 -0.68 -0.90 0.04 4.05 -0.42 0.31 114.93 117.64 2k19 h MET 62 Ca 0.03 0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.62 2k19 h MET 62 Cb 0.83 0.15 -0.08 0.00 -0.80 0.00 0.00 31.60 31.70 2k19 h MET 62 CO 0.07 -0.45 0.52 -0.97 0.23 0.00 0.00 176.91 176.31 2k19 h ASN 63 N -0.70 0.73 1.02 1.39 -1.24 -1.53 0.40 115.58 115.65 2k19 h ASN 63 Ca 0.01 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2k19 h ASN 63 Cb 0.72 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2k19 h ASN 63 CO -0.25 0.37 0.00 -0.07 -1.29 0.00 0.00 177.43 176.18 2k19 h LEU 64 N 0.81 0.00 0.00 0.34 3.38 -1.30 -0.94 115.31 117.60 2k19 h LEU 64 Ca 0.46 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.26 2k19 h LEU 64 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2k19 h LEU 64 CO -0.29 0.00 -1.01 -0.78 0.09 0.00 0.00 178.44 176.45 2k19 h ASP 65 N 0.00 0.00 0.18 -0.43 1.82 0.34 -3.29 116.42 115.04 2k19 h ASP 65 Ca 0.00 -0.45 -0.01 0.00 -0.39 0.00 0.00 57.03 56.19 2k19 h ASP 65 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2k19 h ASP 65 CO 0.00 1.30 -0.09 0.40 -1.61 0.00 0.00 179.24 179.25 2k19 h ILE 66 N -1.00 0.92 -0.64 2.25 2.04 -0.47 -0.88 117.51 119.73 2k19 h ILE 66 Ca -0.25 -0.53 0.14 0.00 1.00 0.00 0.00 64.86 65.21 2k19 h ILE 66 Cb 1.11 1.24 -0.11 0.00 -0.74 0.00 0.00 36.82 38.33 2k19 h ILE 66 CO -0.15 0.12 0.02 -1.28 0.00 0.00 0.00 178.15 176.86 2k19 h SER 67 N -0.50 -0.24 0.06 1.72 0.87 -1.37 0.15 113.55 114.23 2k19 h SER 67 Ca -0.02 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 2k19 h SER 67 Cb 0.38 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2k19 h SER 67 CO 0.04 -0.11 -0.33 0.07 -0.53 0.00 0.00 176.83 175.98 2k19 h LYS 68 N 0.14 0.39 0.00 2.24 2.10 -1.62 -2.30 116.57 117.52 2k19 h LYS 68 Ca 0.34 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 2k19 h LYS 68 Cb 0.56 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2k19 h LYS 68 CO -0.54 0.67 0.00 0.00 -2.00 0.00 0.00 179.45 177.59 2k19 n ALA 69 N -2.48 1.55 -0.38 0.07 0.00 0.44 -2.94 120.51 116.77 2k19 n ALA 69 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k19 n ALA 69 Cb 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.78 0.00 -0.16 0.00 5.41 -0.61 -1.94 119.36 120.28 2k19 n ILE 70 Ca 0.02 1.15 0.04 0.00 1.00 0.00 0.00 62.75 64.97 2k19 n ILE 70 Cb 0.16 -2.09 0.33 0.00 -0.71 0.00 0.00 39.64 37.34 2k19 n ILE 70 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2k19 h ARG 71 N 0.00 0.78 0.15 0.38 3.08 -1.73 0.43 114.38 117.47 2k19 h ARG 71 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2k19 h ARG 71 Cb 0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2k19 h ARG 71 CO 0.00 0.52 -0.35 -0.91 -1.07 0.00 0.00 179.97 178.15 2k19 h ASN 72 N 0.80 -1.03 -0.37 7.04 -0.26 -1.59 -2.08 115.58 118.09 2k19 h ASN 72 Ca 0.28 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 56.12 2k19 h ASN 72 Cb 0.10 0.37 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 2k19 h ASN 72 CO -0.08 -0.40 0.00 0.47 -1.06 0.00 0.00 177.43 176.36 2k19 n ASP 73 N -4.47 3.11 -2.67 5.81 9.92 -0.82 -4.89 116.55 122.54 2k19 n ASP 73 Ca -0.06 -2.30 -0.13 0.00 -0.53 0.00 0.00 54.79 51.76 2k19 n ASP 73 Cb 0.29 -0.47 -0.00 0.00 -0.64 0.00 0.00 41.12 40.29 2k19 n ASP 73 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k19 n GLY 74 N 0.71 -0.50 3.86 0.44 0.00 0.12 -4.92 105.19 104.91 2k19 n GLY 74 Ca 0.15 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.60 4.53 -0.11 1.61 1.01 0.53 -4.96 120.40 120.41 2k19 s VAL 75 Ca 0.10 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 2k19 s VAL 75 Cb -0.05 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2k19 s VAL 75 CO 0.12 -1.07 0.01 -0.89 0.00 0.00 0.00 175.10 173.27 2k19 s THR 76 N -3.15 0.41 0.21 3.92 2.01 -1.26 -4.62 115.64 113.15 2k19 s THR 76 Ca 0.56 -0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 2k19 s THR 76 Cb -0.12 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 2k19 s THR 76 CO 0.54 0.10 1.12 -0.76 -0.69 0.00 0.00 174.62 174.93 2k19 s LEU 77 N 1.94 4.50 1.11 4.42 1.43 -1.26 -5.02 118.68 125.80 2k19 s LEU 77 Ca 0.03 2.16 -0.18 0.00 -1.03 0.00 0.00 54.13 55.11 2k19 s LEU 77 Cb -0.14 -3.61 0.26 0.00 0.03 0.00 0.00 46.19 42.73 2k19 s LEU 77 CO -0.06 -0.23 1.23 -0.55 0.23 0.00 0.00 176.35 176.97 2k19 s SER 78 N -0.28 1.79 0.06 2.29 0.15 -1.26 -4.61 113.70 111.85 2k19 s SER 78 Ca 0.49 0.37 -0.24 0.00 0.70 0.00 0.00 55.95 57.27 2k19 s SER 78 Cb -0.31 -0.45 -0.11 0.00 -1.71 0.00 0.00 66.02 63.45 2k19 s SER 78 CO 0.37 -3.56 1.37 -0.78 1.20 0.00 0.00 173.24 171.84 2k19 h ASP 79 N -2.21 -1.00 -0.85 5.45 1.82 -1.99 -0.29 116.42 117.35 2k19 h ASP 79 Ca -0.44 0.09 0.11 0.00 -0.39 0.00 0.00 57.03 56.41 2k19 h ASP 79 Cb 1.25 0.35 -0.06 0.00 0.68 0.00 0.00 39.33 41.55 2k19 h ASP 79 CO 0.32 -0.42 0.55 0.10 -1.61 0.00 0.00 179.24 178.19 2k19 h TYR 80 N -0.60 0.85 0.07 0.28 -0.00 -1.98 -1.05 116.97 114.54 2k19 h TYR 80 Ca -0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.72 2k19 h TYR 80 Cb 0.55 -0.27 -0.00 0.00 -0.00 0.00 0.00 36.73 37.01 2k19 h TYR 80 CO -0.29 0.37 -0.04 1.96 -0.00 0.00 0.00 178.16 180.16 2k19 h GLN 81 N 0.77 -0.10 -0.94 0.10 4.20 -1.75 0.27 115.11 117.66 2k19 h GLN 81 Ca 0.41 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.35 2k19 h GLN 81 Cb 0.52 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 2k19 h GLN 81 CO -0.17 -0.07 0.62 1.03 -0.67 0.00 0.00 178.83 179.57 2k19 h SER 82 N -0.11 0.38 -0.15 1.46 0.87 -0.94 -0.04 113.55 115.03 2k19 h SER 82 Ca -0.01 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2k19 h SER 82 Cb 0.08 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2k19 h SER 82 CO 0.01 0.14 -0.01 0.50 -0.53 0.00 0.00 176.83 176.94 2k19 h LYS 83 N 0.37 0.26 0.00 2.24 3.64 -0.97 -2.67 116.57 119.44 2k19 h LYS 83 Ca 0.50 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2k19 h LYS 83 Cb 1.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2k19 h LYS 83 CO -0.19 0.50 0.00 1.57 -2.27 0.00 0.00 179.45 179.07 2k19 h LYS 84 N -0.01 0.00 -0.37 1.90 5.09 0.13 -2.46 116.57 120.86 2k19 h LYS 84 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.68 2k19 h LYS 84 Cb 0.39 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.70 2k19 h LYS 84 CO 0.01 0.00 -0.19 1.25 -2.09 0.00 0.00 179.45 178.43 2k19 h LEU 85 N 0.00 0.70 0.00 7.07 6.46 -0.87 -2.12 115.31 126.55 2k19 h LEU 85 Ca 0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2k19 h LEU 85 Cb 0.27 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2k19 h LEU 85 CO 0.00 0.89 0.00 2.29 -0.62 0.00 0.00 178.44 181.00 2k19 n LYS 86 N -4.13 0.10 0.00 1.25 -0.00 -0.92 -3.39 118.16 111.06 2k19 n LYS 86 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2k19 n LYS 86 Cb 0.40 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.93 2k19 n LYS 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k19 n GLU 87 N -1.42 0.00 0.00 -1.58 -0.58 -0.80 -2.70 120.64 113.57 2k19 n GLU 87 Ca 0.06 0.11 0.03 0.00 -0.42 0.00 0.00 57.16 56.94 2k19 n GLU 87 Cb 0.18 -1.09 0.16 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.79 0.00 0.08 -4.62 -0.00 -1.25 -2.71 117.00 107.71 2k19 n LEU 88 Ca 0.00 0.43 -0.13 0.00 -0.00 0.00 0.00 56.01 56.31 2k19 n LEU 88 Cb 0.00 -0.43 -0.08 0.00 -0.00 0.00 0.00 43.42 42.91 2k19 n LEU 88 CO 0.00 -0.33 0.65 0.74 -0.00 0.00 0.00 177.39 178.46 2k19 h THR 89 N 0.00 0.99 -0.00 1.47 2.02 -1.54 0.25 112.91 116.09 2k19 h THR 89 Ca 0.00 -0.63 -0.18 0.00 0.77 0.00 0.00 66.41 66.37 2k19 h THR 89 Cb 0.10 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2k19 h THR 89 CO 0.00 0.15 -0.81 -1.28 0.37 0.00 0.00 175.52 173.95 2k19 h SER 90 N -0.50 0.14 0.07 4.18 0.87 -1.30 -3.31 113.55 113.70 2k19 h SER 90 Ca -0.02 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2k19 h SER 90 Cb 0.39 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2k19 h SER 90 CO 0.03 0.89 -0.03 0.40 -0.53 0.00 0.00 176.83 177.59 2k19 h ILE 91 N 0.06 1.22 -3.48 2.23 2.04 -1.53 -3.44 117.51 114.61 2k19 h ILE 91 Ca -0.02 -1.19 -0.52 0.00 1.00 0.00 0.00 64.86 64.12 2k19 h ILE 91 Cb 1.42 1.97 0.03 0.00 -0.74 0.00 0.00 36.82 39.50 2k19 h ILE 91 CO 0.12 0.29 0.60 -0.44 0.00 0.00 0.00 178.15 178.71 2k19 s SER 92 N -5.62 7.00 -0.97 1.72 0.01 0.86 -4.95 113.70 111.75 2k19 s SER 92 Ca -0.15 2.33 -0.22 0.00 1.31 0.00 0.00 55.95 59.21 2k19 s SER 92 Cb 0.01 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.70 2k19 s SER 92 CO 0.61 -0.43 1.35 0.20 0.41 0.00 0.00 173.24 175.38 2k19 s ASN 93 N 0.13 6.50 -1.30 2.44 -0.87 -1.26 -4.81 114.94 115.77 2k19 s ASN 93 Ca 0.54 -1.51 -0.16 0.00 -1.57 0.00 0.00 52.86 50.15 2k19 s ASN 93 Cb -0.34 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.36 2k19 s ASN 93 CO 0.38 -1.42 2.09 -0.38 -2.57 0.00 0.00 177.10 175.19 2k19 n ILE 94 N 6.51 3.18 -0.02 0.60 2.08 -1.26 -4.66 119.36 125.78 2k19 n ILE 94 Ca 0.28 -2.89 -0.00 0.00 0.56 0.00 0.00 62.75 60.70 2k19 n ILE 94 Cb 0.50 -2.50 -0.00 0.00 -0.75 0.00 0.00 39.64 36.89 2k19 n ILE 94 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2k19 h ARG 95 N 6.74 0.00 0.00 0.38 3.08 -2.01 -3.41 114.38 119.16 2k19 h ARG 95 Ca 0.51 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.31 2k19 h ARG 95 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 2k19 h ARG 95 CO 1.81 0.00 -1.73 2.48 -1.07 0.00 0.00 179.97 181.46 2k19 n TYR 96 N -3.03 0.80 0.00 3.04 0.18 -1.26 -4.98 117.16 111.90 2k19 n TYR 96 Ca -0.01 0.28 0.00 0.00 1.88 0.00 0.00 57.90 60.05 2k19 n TYR 96 Cb 0.03 -1.10 0.00 0.00 -0.38 0.00 0.00 39.34 37.89 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 1.52 1.76 0.05 -7.48 0.00 -1.26 -5.22 105.19 94.56 2k19 n GLY 97 Ca -0.17 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2k19 n GLY 97 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30