#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knb s ILE 2 N 0.00 5.16 0.01 2.02 -1.09 -1.26 -0.14 121.20 125.90 2knb s ILE 2 Ca 0.00 0.54 0.07 0.00 -2.23 0.00 0.00 60.65 59.03 2knb s ILE 2 Cb 0.00 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2knb s ILE 2 CO 0.00 0.11 -0.22 0.68 -1.23 0.00 0.00 174.94 174.27 2knb s VAL 3 N 2.11 1.76 -0.32 2.92 -7.23 -0.55 -0.09 120.40 119.00 2knb s VAL 3 Ca 0.15 -1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 2knb s VAL 3 Cb -0.16 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2knb s VAL 3 CO 0.10 0.39 0.35 -0.36 -0.31 0.00 0.00 175.10 175.27 2knb s PHE 4 N -0.64 3.22 -0.24 2.82 0.08 -0.36 -0.41 117.98 122.46 2knb s PHE 4 Ca 0.09 0.07 -0.14 0.00 0.12 0.00 0.00 56.93 57.07 2knb s PHE 4 Cb -0.09 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 2knb s PHE 4 CO 0.00 -0.37 0.30 0.08 -0.10 0.00 0.00 175.22 175.14 2knb s VAL 5 N 2.00 5.25 -0.29 -0.44 1.01 -0.30 -0.78 120.40 126.85 2knb s VAL 5 Ca 0.12 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.51 2knb s VAL 5 Cb -0.16 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2knb s VAL 5 CO 0.11 0.25 0.07 -0.60 0.00 0.00 0.00 175.10 174.94 2knb s ARG 6 N 1.47 3.08 -0.73 2.72 3.52 -0.10 -1.53 118.95 127.39 2knb s ARG 6 Ca 0.14 -0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 54.82 2knb s ARG 6 Cb -0.15 -3.34 0.19 0.00 -1.56 0.00 0.00 34.95 30.09 2knb s ARG 6 CO 0.08 -0.44 0.58 0.12 -0.81 0.00 0.00 175.30 174.83 2knb s PHE 7 N 1.49 3.57 -1.57 5.12 5.36 -1.25 -0.50 117.98 130.19 2knb s PHE 7 Ca 0.02 -2.62 -0.16 0.00 -0.96 0.00 0.00 56.93 53.21 2knb s PHE 7 Cb -0.17 -3.35 0.14 0.00 -0.34 0.00 0.00 43.02 39.29 2knb s PHE 7 CO 0.02 -0.86 0.72 -1.71 -1.46 0.00 0.00 175.22 171.93 2knb n ASN 8 N 3.37 -3.44 -3.49 6.13 5.15 -1.26 -4.92 115.26 116.80 2knb n ASN 8 Ca 0.12 -0.83 -0.21 0.00 -0.60 0.00 0.00 54.58 53.05 2knb n ASN 8 Cb 0.40 -2.82 -0.06 0.00 -0.53 0.00 0.00 39.78 36.76 2knb n ASN 8 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2knb n SER 9 N -2.55 1.10 -0.02 1.20 3.41 -1.26 -5.08 113.62 110.42 2knb n SER 9 Ca 0.06 -2.85 -0.20 0.00 -0.26 0.00 0.00 58.87 55.61 2knb n SER 9 Cb 0.50 0.91 -0.13 0.00 -0.26 0.00 0.00 64.21 65.22 2knb n SER 9 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2knb h SER 10 N 1.40 0.27 -2.96 4.04 4.64 -1.99 -3.48 113.55 115.47 2knb h SER 10 Ca -0.27 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.23 2knb h SER 10 Cb 1.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2knb h SER 10 CO 0.42 1.50 0.00 0.00 -0.87 0.00 0.00 176.83 177.88 2knb n TYR 11 N -4.12 -1.57 -3.75 4.77 0.18 -1.26 -5.09 117.16 106.32 2knb n TYR 11 Ca -0.23 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.41 2knb n TYR 11 Cb 0.80 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.67 2knb n TYR 11 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2knb s GLY 12 N -1.54 -0.19 -0.09 -7.48 0.00 -1.26 -4.47 107.32 92.29 2knb s GLY 12 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 44.72 45.07 2knb s GLY 12 CO 0.00 0.28 0.32 -0.11 0.00 0.00 0.00 173.10 173.59 2knb s PHE 13 N -1.07 3.60 -0.05 1.90 -0.71 -0.58 -4.72 117.98 116.35 2knb s PHE 13 Ca -0.11 0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 56.24 2knb s PHE 13 Cb -0.05 -2.26 -0.03 0.00 -1.21 0.00 0.00 43.02 39.47 2knb s PHE 13 CO 0.04 0.48 1.16 -1.25 -1.34 0.00 0.00 175.22 174.31 2knb s PRO 14 N -0.40 4.38 -0.04 1.99 0.04 -1.26 -1.15 135.00 138.56 2knb s PRO 14 Ca 0.20 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.93 2knb s PRO 14 Cb -0.14 -3.53 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 2knb s PRO 14 CO 0.08 -0.40 -0.25 0.08 0.04 0.00 0.00 177.00 176.55 2knb s VAL 15 N 2.05 2.02 -0.44 -0.36 1.01 0.46 -4.92 120.40 120.22 2knb s VAL 15 Ca 0.55 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 2knb s VAL 15 Cb -0.24 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.47 2knb s VAL 15 CO 0.22 0.57 0.78 -0.70 0.00 0.00 0.00 175.10 175.97 2knb s GLU 16 N -0.35 3.44 0.51 2.72 2.56 -1.26 -1.48 118.70 124.85 2knb s GLU 16 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.97 54.93 2knb s GLU 16 Cb -0.12 -3.92 -0.00 0.00 2.00 0.00 0.00 34.13 32.08 2knb s GLU 16 CO 0.02 -1.08 0.02 0.14 -0.56 0.00 0.00 175.26 173.80 2knb s VAL 17 N 3.25 0.94 0.31 3.70 -7.23 0.80 -4.87 120.40 117.30 2knb s VAL 17 Ca 0.30 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 2knb s VAL 17 Cb -0.12 -2.05 -0.06 0.00 0.56 0.00 0.00 36.38 34.71 2knb s VAL 17 CO 0.22 0.00 0.03 1.51 -0.31 0.00 0.00 175.10 176.55 2knb s ASP 18 N -3.87 2.48 0.39 4.85 -4.77 -1.26 0.25 116.67 114.74 2knb s ASP 18 Ca 0.04 -1.33 0.10 0.00 -3.30 0.00 0.00 52.55 48.05 2knb s ASP 18 Cb 0.00 -0.11 0.87 0.00 -1.09 0.00 0.00 42.92 42.59 2knb s ASP 18 CO 0.02 -0.54 1.94 0.28 0.70 0.00 0.00 175.17 177.57 2knb h SER 19 N 2.15 0.55 -0.44 2.11 0.02 -1.98 -1.39 113.55 114.56 2knb h SER 19 Ca -0.41 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2knb h SER 19 Cb 1.24 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2knb h SER 19 CO 0.69 0.33 0.00 -0.67 -1.14 0.00 0.00 176.83 176.04 2knb n ASP 20 N -4.49 2.53 -4.72 3.07 2.03 -1.26 -0.24 116.55 113.47 2knb n ASP 20 Ca 0.12 -1.97 -0.42 0.00 0.52 0.00 0.00 54.79 53.04 2knb n ASP 20 Cb 0.35 -0.29 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 2knb n ASP 20 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2knb s THR 21 N -1.41 3.22 0.28 5.18 2.01 -0.53 -4.76 115.64 119.64 2knb s THR 21 Ca 0.33 0.89 -0.18 0.00 0.31 0.00 0.00 61.69 63.04 2knb s THR 21 Cb 0.17 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 2knb s THR 21 CO 0.23 0.07 0.75 -0.44 -0.69 0.00 0.00 174.62 174.54 2knb s SER 22 N 1.04 6.92 0.22 3.53 0.01 -1.26 -1.15 113.70 123.00 2knb s SER 22 Ca 0.64 1.37 -0.08 0.00 1.31 0.00 0.00 55.95 59.20 2knb s SER 22 Cb -0.38 -2.41 0.30 0.00 0.21 0.00 0.00 66.02 63.75 2knb s SER 22 CO 0.31 -0.11 1.78 0.40 0.41 0.00 0.00 173.24 176.04 2knb h ILE 23 N 2.31 0.88 -0.96 1.44 1.08 -0.61 -1.73 117.51 119.92 2knb h ILE 23 Ca -0.48 -0.21 0.07 0.00 -0.39 0.00 0.00 64.86 63.86 2knb h ILE 23 Cb 1.18 0.22 -0.07 0.00 -3.07 0.00 0.00 36.82 35.08 2knb h ILE 23 CO 0.65 0.11 0.61 0.15 -0.69 0.00 0.00 178.15 178.98 2knb h PHE 24 N 0.61 1.12 -0.30 1.37 3.57 -1.52 -1.55 116.94 120.24 2knb h PHE 24 Ca 0.33 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 2knb h PHE 24 Cb 0.31 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2knb h PHE 24 CO -0.10 0.55 0.03 1.96 -2.23 0.00 0.00 178.31 178.52 2knb h GLN 25 N 1.07 0.50 -0.02 1.11 4.20 -1.62 -1.75 115.11 118.60 2knb h GLN 25 Ca 0.43 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 59.00 2knb h GLN 25 Cb 0.23 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2knb h GLN 25 CO -0.19 0.62 0.02 1.25 -0.67 0.00 0.00 178.83 179.86 2knb h LEU 26 N 0.31 0.00 -0.15 1.46 5.85 -0.89 -1.42 115.31 120.47 2knb h LEU 26 Ca 0.09 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 2knb h LEU 26 Cb 0.37 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.41 2knb h LEU 26 CO 0.01 0.00 -0.58 0.11 -0.34 0.00 0.00 178.44 177.64 2knb h LYS 27 N 0.00 0.66 -0.18 1.25 1.57 -0.61 -3.10 116.57 116.16 2knb h LYS 27 Ca 0.01 -0.51 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 2knb h LYS 27 Cb 0.05 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2knb h LYS 27 CO -0.00 1.13 0.13 0.93 -0.57 0.00 0.00 179.45 181.07 2knb h GLU 28 N 0.34 0.00 -0.69 3.15 5.08 -0.42 0.24 114.58 122.28 2knb h GLU 28 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2knb h GLU 28 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2knb h GLU 28 CO 0.12 0.00 0.39 0.28 -1.00 0.00 0.00 179.01 178.81 2knb h VAL 29 N 0.00 1.21 0.04 3.13 2.07 -1.41 -0.80 116.25 120.48 2knb h VAL 29 Ca 0.09 -0.49 -0.22 0.00 0.82 0.00 0.00 66.70 66.89 2knb h VAL 29 Cb 0.35 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2knb h VAL 29 CO -0.00 0.22 -1.01 0.58 0.02 0.00 0.00 177.57 177.38 2knb h VAL 30 N 0.94 1.56 -0.39 2.57 2.07 -1.31 -2.93 116.25 118.76 2knb h VAL 30 Ca 0.24 -2.97 -0.01 0.00 0.82 0.00 0.00 66.70 64.78 2knb h VAL 30 Cb 0.01 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 2knb h VAL 30 CO -0.04 0.86 0.22 0.00 0.02 0.00 0.00 177.57 178.63 2knb h ALA 31 N 0.88 0.50 0.00 1.67 0.00 -0.54 0.17 119.26 121.93 2knb h ALA 31 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2knb h ALA 31 Cb 1.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2knb h ALA 31 CO 0.15 0.02 0.00 1.57 0.00 0.00 0.00 179.25 180.99 2knb h LYS 32 N 0.50 0.00 0.18 0.00 2.10 -1.23 0.24 116.57 118.36 2knb h LYS 32 Ca 0.14 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.45 2knb h LYS 32 Cb 0.05 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.39 2knb h LYS 32 CO -0.02 0.00 -1.69 -0.09 -2.00 0.00 0.00 179.45 175.64 2knb h ARG 33 N 0.00 0.39 0.00 0.07 1.12 -1.20 -3.37 114.38 111.38 2knb h ARG 33 Ca 0.00 -0.66 0.00 0.00 -1.11 0.00 0.00 59.98 58.21 2knb h ARG 33 Cb 0.71 0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 2knb h ARG 33 CO 0.00 1.32 -1.29 1.04 -3.11 0.00 0.00 179.97 177.92 2knb n GLN 34 N -3.65 0.33 -2.78 0.20 1.13 0.52 -4.98 117.38 108.16 2knb n GLN 34 Ca -0.24 -0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 54.68 2knb n GLN 34 Cb 1.05 -1.56 0.02 0.00 0.11 0.00 0.00 30.24 29.87 2knb n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2knb n GLY 35 N 1.36 0.38 3.16 1.08 0.00 0.78 -5.04 105.19 106.92 2knb n GLY 35 Ca 0.01 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 2knb n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2knb s VAL 36 N -3.01 1.57 -0.16 1.61 1.01 -0.88 -5.04 120.40 115.48 2knb s VAL 36 Ca 0.18 -0.79 -0.40 0.00 0.00 0.00 0.00 61.98 60.97 2knb s VAL 36 Cb -0.08 -1.35 -0.17 0.00 0.00 0.00 0.00 36.38 34.78 2knb s VAL 36 CO 0.22 0.45 1.49 -2.65 0.00 0.00 0.00 175.10 174.60 2knb n PRO 37 N 3.18 0.75 -0.26 2.72 -0.02 -1.26 -4.41 135.00 135.70 2knb n PRO 37 Ca -0.18 0.27 -0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2knb n PRO 37 Cb 0.53 -1.88 0.21 0.00 -0.02 0.00 0.00 33.50 32.33 2knb n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knb h ALA 38 N 5.32 1.41 -0.57 3.55 0.00 -1.91 -2.61 119.26 124.45 2knb h ALA 38 Ca -0.47 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2knb h ALA 38 Cb 1.35 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2knb h ALA 38 CO 0.86 0.54 0.34 0.38 0.00 0.00 0.00 179.25 181.37 2knb h ASP 39 N 1.11 0.68 1.29 0.00 2.03 -1.97 -1.26 116.42 118.31 2knb h ASP 39 Ca 0.30 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2knb h ASP 39 Cb -0.12 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.21 2knb h ASP 39 CO -0.06 0.53 0.00 1.56 -1.03 0.00 0.00 179.24 180.24 2knb h GLN 40 N 0.79 0.00 -6.82 4.15 4.20 -1.77 -3.44 115.11 112.22 2knb h GLN 40 Ca 0.21 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.41 2knb h GLN 40 Cb -0.02 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.78 2knb h GLN 40 CO -0.04 0.00 0.47 -0.51 -0.67 0.00 0.00 178.83 178.09 2knb s LEU 41 N -5.97 4.51 0.10 1.46 1.43 -0.48 0.07 118.68 119.80 2knb s LEU 41 Ca 0.03 2.26 0.06 0.00 -1.03 0.00 0.00 54.13 55.46 2knb s LEU 41 Cb 0.08 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2knb s LEU 41 CO 0.57 -0.19 -0.15 -0.13 0.23 0.00 0.00 176.35 176.68 2knb s ARG 42 N -1.56 0.96 -0.19 1.70 1.81 0.45 -4.84 118.95 117.26 2knb s ARG 42 Ca 0.46 -1.13 0.01 0.00 -1.72 0.00 0.00 55.73 53.36 2knb s ARG 42 Cb -0.31 -0.92 0.03 0.00 -0.45 0.00 0.00 34.95 33.30 2knb s ARG 42 CO 0.40 0.19 -0.18 0.08 -0.68 0.00 0.00 175.30 175.12 2knb s VAL 43 N -1.73 2.01 -0.21 3.52 1.01 -1.26 -1.92 120.40 121.83 2knb s VAL 43 Ca 0.05 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2knb s VAL 43 Cb -0.07 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2knb s VAL 43 CO 0.03 0.43 -0.05 -0.63 0.00 0.00 0.00 175.10 174.88 2knb s ILE 44 N 1.28 3.39 -0.08 2.22 1.01 -0.15 -1.11 121.20 127.76 2knb s ILE 44 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2knb s ILE 44 Cb -0.14 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2knb s ILE 44 CO -0.11 0.44 -0.10 0.12 0.00 0.00 0.00 174.94 175.29 2knb s PHE 45 N 1.27 1.38 -1.30 3.97 5.36 0.14 -2.15 117.98 126.65 2knb s PHE 45 Ca 0.03 -0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 55.42 2knb s PHE 45 Cb -0.14 -1.07 0.01 0.00 -0.34 0.00 0.00 43.02 41.48 2knb s PHE 45 CO -0.02 -0.34 0.18 0.00 -1.46 0.00 0.00 175.22 173.58 2knb n ALA 46 N 4.20 -0.83 -0.96 11.12 0.00 -1.26 -0.44 120.51 132.34 2knb n ALA 46 Ca -0.20 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2knb n ALA 46 Cb 0.51 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2knb n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2knb n GLY 47 N -1.02 0.43 2.97 0.00 0.00 -1.26 -5.04 105.19 101.27 2knb n GLY 47 Ca -0.14 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 2knb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2knb s LYS 48 N -1.61 1.54 -0.36 1.61 1.02 0.42 -5.10 119.74 117.27 2knb s LYS 48 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 2knb s LYS 48 Cb 0.00 -1.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.93 2knb s LYS 48 CO 0.00 -0.07 1.31 -1.21 -0.92 0.00 0.00 175.35 174.46 2knb s GLU 49 N 1.00 3.79 -0.13 1.68 0.41 -1.26 -0.68 118.70 123.51 2knb s GLU 49 Ca -0.08 1.06 -0.29 0.00 -0.41 0.00 0.00 54.97 55.24 2knb s GLU 49 Cb -0.15 -3.92 -0.01 0.00 -1.78 0.00 0.00 34.13 28.27 2knb s GLU 49 CO -0.00 -1.29 1.10 -0.51 -0.49 0.00 0.00 175.26 174.07 2knb s LEU 50 N 4.70 4.21 0.28 1.80 1.43 -0.27 -4.99 118.68 125.84 2knb s LEU 50 Ca 0.56 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 2knb s LEU 50 Cb -0.14 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 2knb s LEU 50 CO 0.27 -0.58 1.54 -1.10 0.23 0.00 0.00 176.35 176.71 2knb s GLN 51 N 2.58 4.17 0.57 1.70 -0.21 -1.26 -4.59 119.66 122.61 2knb s GLN 51 Ca 0.50 2.48 0.28 0.00 0.02 0.00 0.00 55.36 58.64 2knb s GLN 51 Cb -0.19 -3.05 1.49 0.00 1.00 0.00 0.00 33.01 32.25 2knb s GLN 51 CO 0.15 -0.56 1.96 -0.91 -2.12 0.00 0.00 175.29 173.81 2knb h ASN 52 N 4.96 0.00 -0.35 5.90 -0.26 -1.94 -0.37 115.58 123.52 2knb h ASN 52 Ca -0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 2knb h ASN 52 Cb 1.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.48 2knb h ASN 52 CO 0.79 0.00 0.00 1.57 -1.06 0.00 0.00 177.43 178.73 2knb n HIS 53 N -3.94 0.63 -3.51 1.19 -0.00 -1.26 -1.49 115.22 106.84 2knb n HIS 53 Ca 0.08 -0.28 -0.30 0.00 0.46 0.00 0.00 57.72 57.69 2knb n HIS 53 Cb 0.62 -0.07 -0.04 0.00 -0.12 0.00 0.00 29.99 30.38 2knb n HIS 53 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2knb s LEU 54 N -1.09 4.17 0.29 0.27 1.43 -0.15 -4.91 118.68 118.69 2knb s LEU 54 Ca 0.25 0.67 0.08 0.00 -1.03 0.00 0.00 54.13 54.11 2knb s LEU 54 Cb 0.15 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2knb s LEU 54 CO 0.15 -0.07 0.13 0.42 0.23 0.00 0.00 176.35 177.20 2knb s THR 55 N -1.87 3.63 0.19 5.49 -4.23 -1.26 -0.17 115.64 117.42 2knb s THR 55 Ca 0.43 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 59.18 2knb s THR 55 Cb -0.11 -3.08 0.12 0.00 1.34 0.00 0.00 72.50 70.76 2knb s THR 55 CO 0.26 -0.29 1.73 0.58 -0.54 0.00 0.00 174.62 176.36 2knb h VAL 56 N 1.60 0.75 0.00 2.29 2.07 -0.99 -0.31 116.25 121.66 2knb h VAL 56 Ca -0.45 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2knb h VAL 56 Cb 1.25 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2knb h VAL 56 CO 0.61 0.06 0.00 0.00 0.02 0.00 0.00 177.57 178.25 2knb n GLN 57 N -5.06 0.03 -0.14 1.57 10.64 0.66 -2.42 117.38 122.67 2knb n GLN 57 Ca 0.06 0.14 0.11 0.00 -1.83 0.00 0.00 57.00 55.49 2knb n GLN 57 Cb 0.25 -1.50 0.26 0.00 -0.86 0.00 0.00 30.24 28.39 2knb n GLN 57 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2knb n ASN 58 N -1.48 2.86 -4.07 2.61 5.15 -0.14 -4.92 115.26 115.26 2knb n ASN 58 Ca 0.05 -1.91 -0.16 0.00 -0.60 0.00 0.00 54.58 51.97 2knb n ASN 58 Cb 0.23 -0.18 -0.10 0.00 -0.53 0.00 0.00 39.78 39.20 2knb n ASN 58 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2knb n ASP 60 N -0.69 5.74 -4.73 0.00 5.75 -1.26 -4.88 116.55 116.48 2knb n ASP 60 Ca 0.02 -2.66 -0.38 0.00 -0.01 0.00 0.00 54.79 51.75 2knb n ASP 60 Cb 0.65 -1.14 -0.06 0.00 -1.03 0.00 0.00 41.12 39.54 2knb n ASP 60 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2knb s LEU 61 N -0.67 4.31 0.00 -2.12 1.43 -1.26 -5.07 118.68 115.31 2knb s LEU 61 Ca 0.20 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2knb s LEU 61 Cb 0.13 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 2knb s LEU 61 CO -0.01 0.01 0.00 -0.62 0.23 0.00 0.00 176.35 175.96 2knb n GLU 62 N 3.47 1.39 -2.29 1.70 1.02 -1.26 -4.85 120.64 119.82 2knb n GLU 62 Ca -0.06 -1.68 -0.41 0.00 -0.02 0.00 0.00 57.16 54.99 2knb n GLU 62 Cb 0.51 0.48 -0.03 0.00 -0.02 0.00 0.00 31.44 32.38 2knb n GLU 62 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2knb s GLN 63 N -2.83 4.44 -1.29 3.49 2.00 -1.26 -2.97 119.66 121.24 2knb s GLN 63 Ca 0.01 1.97 0.00 0.00 -2.00 0.00 0.00 55.36 55.34 2knb s GLN 63 Cb 0.00 -3.21 0.00 0.00 0.80 0.00 0.00 33.01 30.60 2knb s GLN 63 CO 0.00 -0.15 0.00 1.04 -0.50 0.00 0.00 175.29 175.68 2knb n GLN 64 N 2.38 -0.90 -2.78 1.67 6.02 0.87 -4.99 117.38 119.66 2knb n GLN 64 Ca 0.05 0.89 -0.37 0.00 -0.01 0.00 0.00 57.00 57.56 2knb n GLN 64 Cb 0.44 -4.95 -0.06 0.00 1.02 0.00 0.00 30.24 26.68 2knb n GLN 64 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2knb s SER 65 N -2.80 7.30 -0.10 1.08 0.01 -1.16 -4.74 113.70 113.30 2knb s SER 65 Ca 0.00 1.84 -0.04 0.00 1.31 0.00 0.00 55.95 59.06 2knb s SER 65 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2knb s SER 65 CO 0.00 -0.09 0.05 -0.51 0.41 0.00 0.00 173.24 173.10 2knb s ILE 66 N -1.64 4.76 0.10 1.44 2.07 -1.26 -1.22 121.20 125.45 2knb s ILE 66 Ca 0.51 -0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.73 2knb s ILE 66 Cb -0.18 -3.04 -0.03 0.00 0.13 0.00 0.00 42.46 39.34 2knb s ILE 66 CO 0.23 0.60 -0.18 0.68 -1.91 0.00 0.00 174.94 174.37 2knb s VAL 67 N -0.95 1.46 -0.37 4.00 -7.23 0.04 -4.81 120.40 112.54 2knb s VAL 67 Ca 0.14 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 2knb s VAL 67 Cb -0.12 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.47 2knb s VAL 67 CO 0.03 -0.17 0.19 -2.28 -0.31 0.00 0.00 175.10 172.56 2knb s HIS 68 N -1.36 3.25 -0.33 2.82 2.46 -0.91 -0.92 115.29 120.30 2knb s HIS 68 Ca 0.04 -1.10 -0.05 0.00 0.47 0.00 0.00 55.06 54.42 2knb s HIS 68 Cb -0.09 -2.44 0.05 0.00 -0.13 0.00 0.00 32.58 29.96 2knb s HIS 68 CO 0.04 -0.68 0.08 0.42 -2.47 0.00 0.00 174.74 172.12 2knb s ILE 69 N 1.51 3.48 0.14 0.89 1.01 0.34 -0.98 121.20 127.59 2knb s ILE 69 Ca 0.01 -1.29 0.05 0.00 0.00 0.00 0.00 60.65 59.42 2knb s ILE 69 Cb -0.20 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2knb s ILE 69 CO 0.06 -0.19 -0.10 0.68 0.00 0.00 0.00 174.94 175.38 2knb s VAL 70 N 1.33 1.17 -0.39 2.92 -7.23 -0.81 -3.96 120.40 113.44 2knb s VAL 70 Ca -0.02 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 57.84 2knb s VAL 70 Cb -0.20 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.96 2knb s VAL 70 CO 0.01 -0.72 1.07 -1.58 -0.31 0.00 0.00 175.10 173.57 2knb s GLN 71 N -3.64 3.89 -0.24 4.82 0.74 -1.26 -0.41 119.66 123.56 2knb s GLN 71 Ca 0.16 0.79 -0.12 0.00 0.05 0.00 0.00 55.36 56.23 2knb s GLN 71 Cb 0.02 -3.81 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 2knb s GLN 71 CO 0.01 -1.08 0.22 0.50 -0.55 0.00 0.00 175.29 174.38 2knb s ARG 72 N 3.90 4.07 0.24 1.67 3.52 0.11 -4.95 118.95 127.50 2knb s ARG 72 Ca 0.45 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 2knb s ARG 72 Cb -0.10 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.64 2knb s ARG 72 CO 0.22 -0.00 1.16 -1.25 -0.81 0.00 0.00 175.30 174.62 2knb s PRO 73 N 1.24 4.54 -0.27 5.12 0.04 -1.26 -4.73 135.00 139.68 2knb s PRO 73 Ca 0.10 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 2knb s PRO 73 Cb -0.14 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.20 2knb s PRO 73 CO 0.06 0.03 0.03 -1.14 0.04 0.00 0.00 177.00 176.02 2knb s GLN 74 N -0.88 3.09 -0.72 4.56 2.00 -1.26 -5.05 119.66 121.40 2knb s GLN 74 Ca 0.49 -0.84 -0.08 0.00 -2.00 0.00 0.00 55.36 52.93 2knb s GLN 74 Cb -0.33 -3.22 0.19 0.00 0.80 0.00 0.00 33.01 30.45 2knb s GLN 74 CO 0.40 -0.39 0.59 0.50 -0.50 0.00 0.00 175.29 175.89 2knb s ARG 75 N 1.45 3.04 0.00 1.67 3.52 -1.26 -5.23 118.95 122.14 2knb s ARG 75 Ca 0.02 -2.50 0.00 0.00 -0.13 0.00 0.00 55.73 53.13 2knb s ARG 75 Cb -0.17 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.17 2knb s ARG 75 CO -0.00 -1.23 0.38 1.63 -0.81 0.00 0.00 175.30 175.27