#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 5.02 0.04 2.02 -1.09 -1.26 -0.71 121.20 125.23 2knb s ILE 2 Ca 0.00 1.18 0.06 0.00 -2.23 0.00 0.00 60.65 59.66 2knb s ILE 2 Cb 0.00 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2knb s ILE 2 CO 0.00 0.11 -0.18 0.68 -1.23 0.00 0.00 174.94 174.31 2knb s VAL 3 N 1.93 1.48 -0.40 2.92 -7.23 -0.77 -0.52 120.40 117.81 2knb s VAL 3 Ca 0.28 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 59.16 2knb s VAL 3 Cb -0.16 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.49 2knb s VAL 3 CO 0.10 0.14 0.40 -0.36 -0.31 0.00 0.00 175.10 175.07 2knb s PHE 4 N -0.81 3.19 -0.23 2.82 0.08 0.50 -0.06 117.98 123.47 2knb s PHE 4 Ca 0.06 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.67 2knb s PHE 4 Cb -0.08 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 2knb s PHE 4 CO 0.02 -0.61 0.31 0.08 -0.10 0.00 0.00 175.22 174.92 2knb s VAL 5 N 2.05 5.25 -0.21 -0.44 1.01 0.70 -0.17 120.40 128.59 2knb s VAL 5 Ca 0.11 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 2knb s VAL 5 Cb -0.17 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 2knb s VAL 5 CO 0.13 0.26 -0.08 -0.60 0.00 0.00 0.00 175.10 174.80 2knb s ARG 6 N 1.43 3.29 -0.57 2.72 3.52 0.35 -0.37 118.95 129.32 2knb s ARG 6 Ca 0.14 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2knb s ARG 6 Cb -0.15 -2.89 0.15 0.00 -1.56 0.00 0.00 34.95 30.50 2knb s ARG 6 CO 0.08 -0.18 0.36 0.12 -0.81 0.00 0.00 175.30 174.86 2knb s PHE 7 N 1.39 3.35 -1.29 5.12 5.36 -1.26 0.12 117.98 130.78 2knb s PHE 7 Ca 0.05 -2.87 -0.08 0.00 -0.96 0.00 0.00 56.93 53.07 2knb s PHE 7 Cb -0.14 -3.07 -0.00 0.00 -0.34 0.00 0.00 43.02 39.47 2knb s PHE 7 CO -0.05 -0.82 0.60 -1.71 -1.46 0.00 0.00 175.22 171.78 2knb n ASN 8 N 3.43 -2.31 -2.83 6.13 5.15 -1.25 -4.96 115.26 118.61 2knb n ASN 8 Ca 0.06 -0.99 -0.13 0.00 -0.60 0.00 0.00 54.58 52.92 2knb n ASN 8 Cb 0.36 -3.29 -0.03 0.00 -0.53 0.00 0.00 39.78 36.29 2knb n ASN 8 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2knb n SER 9 N -2.87 -1.26 0.02 1.20 2.88 -1.26 -5.08 113.62 107.25 2knb n SER 9 Ca -0.23 -2.74 -0.21 0.00 -1.33 0.00 0.00 58.87 54.36 2knb n SER 9 Cb 0.65 2.36 -0.14 0.00 -0.75 0.00 0.00 64.21 66.32 2knb n SER 9 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2knb h SER 10 N 1.81 0.41 -3.03 -3.46 4.64 -2.00 -3.48 113.55 108.45 2knb h SER 10 Ca -0.25 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.20 2knb h SER 10 Cb 1.09 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2knb h SER 10 CO 0.34 1.60 0.00 0.00 -0.87 0.00 0.00 176.83 177.90 2knb n TYR 11 N -3.93 -1.54 -3.74 4.77 0.18 -1.26 -5.11 117.16 106.54 2knb n TYR 11 Ca -0.23 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.45 2knb n TYR 11 Cb 0.90 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.81 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 -1.49 -0.10 -0.06 -7.48 0.00 -1.26 -4.52 107.32 92.41 2knb s GLY 12 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.41 2knb s GLY 12 CO 0.00 -0.53 -0.07 -0.11 0.00 0.00 0.00 173.10 172.39 2knb s PHE 13 N -3.83 2.94 -0.01 1.90 -0.12 0.50 -4.78 117.98 114.57 2knb s PHE 13 Ca 0.04 0.02 -0.30 0.00 -0.05 0.00 0.00 56.93 56.64 2knb s PHE 13 Cb 0.03 -1.70 -0.04 0.00 -0.63 0.00 0.00 43.02 40.68 2knb s PHE 13 CO -0.11 0.34 1.17 -2.14 -0.05 0.00 0.00 175.22 174.43 2knb s PRO 14 N -0.86 4.40 -0.08 1.99 0.02 -1.26 -0.22 135.00 139.00 2knb s PRO 14 Ca 0.13 1.67 0.04 0.00 0.02 0.00 0.00 61.00 62.86 2knb s PRO 14 Cb -0.11 -3.48 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 2knb s PRO 14 CO 0.02 -0.34 -0.21 0.08 -0.33 0.00 0.00 177.00 176.22 2knb s VAL 15 N 1.70 2.39 -0.56 3.83 1.01 0.92 -4.91 120.40 124.78 2knb s VAL 15 Ca 0.56 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 2knb s VAL 15 Cb -0.26 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.25 2knb s VAL 15 CO 0.25 0.56 0.93 -0.70 0.00 0.00 0.00 175.10 176.14 2knb s GLU 16 N -0.04 3.30 0.43 2.72 2.56 -1.26 -1.86 118.70 124.55 2knb s GLU 16 Ca -0.06 -0.35 0.06 0.00 0.00 0.00 0.00 54.97 54.62 2knb s GLU 16 Cb -0.15 -4.07 -0.07 0.00 2.00 0.00 0.00 34.13 31.85 2knb s GLU 16 CO 0.05 -1.50 0.01 0.14 -0.56 0.00 0.00 175.26 173.40 2knb s VAL 17 N 3.89 1.80 0.40 3.70 -7.23 0.12 -4.86 120.40 118.22 2knb s VAL 17 Ca 0.29 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 2knb s VAL 17 Cb -0.13 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 2knb s VAL 17 CO 0.18 0.00 0.10 1.51 -0.31 0.00 0.00 175.10 176.58 2knb s ASP 18 N -3.74 4.20 0.46 4.85 -4.77 -1.26 0.54 116.67 116.95 2knb s ASP 18 Ca 0.29 -1.17 0.15 0.00 -3.30 0.00 0.00 52.55 48.53 2knb s ASP 18 Cb 0.08 -0.46 1.08 0.00 -1.09 0.00 0.00 42.92 42.53 2knb s ASP 18 CO 0.15 -0.47 2.02 0.28 0.70 0.00 0.00 175.17 177.85 2knb h SER 19 N 1.60 0.00 -0.08 2.11 0.02 -1.97 -1.49 113.55 113.74 2knb h SER 19 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2knb h SER 19 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2knb h SER 19 CO 0.73 0.15 0.00 -0.67 -1.14 0.00 0.00 176.83 175.90 2knb n ASP 20 N -4.32 1.39 -4.72 3.07 -0.08 -1.26 -1.41 116.55 109.23 2knb n ASP 20 Ca -0.03 -1.55 -0.42 0.00 -1.51 0.00 0.00 54.79 51.29 2knb n ASP 20 Cb 0.22 -0.04 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 2knb n ASP 20 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2knb s THR 21 N -1.91 2.79 0.30 5.18 2.01 -0.56 -4.78 115.64 118.66 2knb s THR 21 Ca 0.36 0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 2knb s THR 21 Cb 0.19 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2knb s THR 21 CO 0.30 0.06 0.52 -0.94 -0.69 0.00 0.00 174.62 173.87 2knb s SER 22 N 0.94 6.35 0.27 3.53 1.04 -1.26 -1.07 113.70 123.50 2knb s SER 22 Ca 0.66 0.51 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 2knb s SER 22 Cb -0.42 -2.06 0.48 0.00 0.10 0.00 0.00 66.02 64.13 2knb s SER 22 CO 0.34 -0.22 1.83 0.40 0.98 0.00 0.00 173.24 176.57 2knb h ILE 23 N 1.08 0.92 -0.45 -1.02 1.08 -0.73 -1.57 117.51 116.81 2knb h ILE 23 Ca -0.49 -0.32 0.09 0.00 -0.39 0.00 0.00 64.86 63.76 2knb h ILE 23 Cb 1.20 -0.08 -0.09 0.00 -3.07 0.00 0.00 36.82 34.79 2knb h ILE 23 CO 0.64 0.17 -0.11 0.15 -0.69 0.00 0.00 178.15 178.31 2knb h PHE 24 N 0.92 -0.23 -0.10 1.37 3.04 -1.76 0.14 116.94 120.32 2knb h PHE 24 Ca 0.46 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.45 2knb h PHE 24 Cb 0.42 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 2knb h PHE 24 CO -0.03 -0.19 0.07 1.96 -2.02 0.00 0.00 178.31 178.10 2knb h GLN 25 N 0.01 0.14 -0.77 1.11 4.20 -1.64 -0.11 115.11 118.05 2knb h GLN 25 Ca 0.22 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.05 2knb h GLN 25 Cb 0.33 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2knb h GLN 25 CO -0.46 0.11 0.51 1.25 -0.67 0.00 0.00 178.83 179.57 2knb h LEU 26 N 0.13 0.48 -0.16 1.46 5.85 -0.80 -1.26 115.31 121.01 2knb h LEU 26 Ca 0.04 0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.56 2knb h LEU 26 Cb 0.01 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 40.97 2knb h LEU 26 CO -0.01 0.26 -0.76 0.11 -0.34 0.00 0.00 178.44 177.71 2knb h LYS 27 N 0.52 0.79 -0.38 1.25 1.57 -0.20 -3.11 116.57 117.00 2knb h LYS 27 Ca 0.38 -0.64 0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2knb h LYS 27 Cb 0.73 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 2knb h LYS 27 CO -0.14 1.25 0.27 0.93 -0.57 0.00 0.00 179.45 181.19 2knb h GLU 28 N 0.53 0.04 -0.68 3.15 5.08 0.16 0.11 114.58 122.97 2knb h GLU 28 Ca -0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2knb h GLU 28 Cb 1.39 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 2knb h GLU 28 CO 0.16 0.03 0.45 0.28 -1.00 0.00 0.00 179.01 178.92 2knb h VAL 29 N 0.04 1.16 0.07 3.13 2.07 -1.39 -0.95 116.25 120.38 2knb h VAL 29 Ca 0.18 -0.31 -0.26 0.00 0.82 0.00 0.00 66.70 67.13 2knb h VAL 29 Cb 0.67 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2knb h VAL 29 CO -0.01 0.17 -1.23 0.58 0.02 0.00 0.00 177.57 177.09 2knb h VAL 30 N 0.91 1.48 -0.08 2.57 2.07 -1.31 -3.02 116.25 118.87 2knb h VAL 30 Ca 0.25 -3.13 0.02 0.00 0.82 0.00 0.00 66.70 64.66 2knb h VAL 30 Cb -0.09 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2knb h VAL 30 CO -0.06 0.88 -0.07 0.00 0.02 0.00 0.00 177.57 178.35 2knb h ALA 31 N 0.75 -0.00 0.00 1.67 0.00 -0.42 0.82 119.26 122.08 2knb h ALA 31 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2knb h ALA 31 Cb 1.91 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2knb h ALA 31 CO 0.16 -0.53 0.00 0.36 0.00 0.00 0.00 179.25 179.24 2knb n LYS 32 N -5.19 0.13 0.05 0.00 2.85 -0.40 -0.99 118.16 114.61 2knb n LYS 32 Ca -0.05 0.11 -0.22 0.00 -1.05 0.00 0.00 58.31 57.10 2knb n LYS 32 Cb 0.12 -1.65 -0.14 0.00 -0.65 0.00 0.00 35.03 32.70 2knb n LYS 32 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2knb h ARG 33 N 0.00 0.32 -0.03 -1.58 1.12 -1.20 -3.37 114.38 109.64 2knb h ARG 33 Ca 0.00 -0.55 0.00 0.00 -1.11 0.00 0.00 59.98 58.32 2knb h ARG 33 Cb 0.62 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.78 2knb h ARG 33 CO 0.00 1.27 0.00 1.04 -3.11 0.00 0.00 179.97 179.17 2knb n GLN 34 N -3.89 1.02 -3.00 0.20 1.13 0.20 -5.00 117.38 108.04 2knb n GLN 34 Ca -0.21 -1.37 -0.12 0.00 -1.94 0.00 0.00 57.00 53.36 2knb n GLN 34 Cb 0.94 -1.27 0.06 0.00 0.11 0.00 0.00 30.24 30.07 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 0.80 -0.09 3.13 1.08 0.00 -0.16 -5.04 105.19 104.91 2knb n GLY 35 Ca 0.08 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.24 1.60 0.22 1.61 1.01 -0.70 -5.04 120.40 115.86 2knb s VAL 36 Ca 0.06 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 2knb s VAL 36 Cb -0.02 -1.40 -0.15 0.00 0.00 0.00 0.00 36.38 34.81 2knb s VAL 36 CO 0.49 0.46 1.20 -2.65 0.00 0.00 0.00 175.10 174.60 2knb n PRO 37 N 3.60 1.49 0.10 2.72 -0.02 -1.26 -4.37 135.00 137.25 2knb n PRO 37 Ca -0.21 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 2knb n PRO 37 Cb 0.52 -2.04 0.45 0.00 -0.02 0.00 0.00 33.50 32.41 2knb n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knb n ALA 38 N 1.27 1.78 0.57 3.55 0.00 -1.26 -2.31 120.51 124.11 2knb n ALA 38 Ca 0.12 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.73 2knb n ALA 38 Cb 0.29 -1.38 0.39 0.00 0.00 0.00 0.00 19.45 18.75 2knb n ALA 38 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2knb h ASP 39 N 0.00 0.00 -0.23 0.00 2.03 -2.01 -3.14 116.42 113.07 2knb h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2knb h ASP 39 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 2knb h ASP 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 2knb n GLN 40 N -2.36 1.92 -3.69 4.15 6.02 -0.98 -4.96 117.38 117.49 2knb n GLN 40 Ca 0.05 -1.79 -0.36 0.00 -0.01 0.00 0.00 57.00 54.89 2knb n GLN 40 Cb 0.43 -1.31 -0.07 0.00 1.02 0.00 0.00 30.24 30.30 2knb n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2knb s LEU 41 N -1.10 4.29 0.09 1.08 1.43 -1.19 0.82 118.68 124.09 2knb s LEU 41 Ca 0.24 0.44 0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2knb s LEU 41 Cb 0.14 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2knb s LEU 41 CO 0.19 0.23 -0.27 -0.13 0.23 0.00 0.00 176.35 176.60 2knb s ARG 42 N -0.09 1.59 -0.18 1.70 1.81 0.12 -4.90 118.95 118.99 2knb s ARG 42 Ca 0.14 -1.23 0.01 0.00 -1.72 0.00 0.00 55.73 52.93 2knb s ARG 42 Cb -0.12 -1.93 0.02 0.00 -0.45 0.00 0.00 34.95 32.47 2knb s ARG 42 CO 0.03 0.48 -0.19 0.08 -0.68 0.00 0.00 175.30 175.02 2knb s VAL 43 N -0.93 2.02 -0.19 3.52 1.01 -1.26 -1.06 120.40 123.51 2knb s VAL 43 Ca 0.13 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2knb s VAL 43 Cb -0.10 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2knb s VAL 43 CO 0.04 0.47 -0.07 -0.63 0.00 0.00 0.00 175.10 174.91 2knb s ILE 44 N 1.29 3.28 -0.07 2.22 1.01 0.38 -0.05 121.20 129.25 2knb s ILE 44 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2knb s ILE 44 Cb -0.14 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.90 2knb s ILE 44 CO -0.12 0.46 -0.06 0.12 0.00 0.00 0.00 174.94 175.34 2knb s PHE 45 N 1.07 1.05 -1.49 3.97 5.36 0.61 -1.23 117.98 127.32 2knb s PHE 45 Ca 0.00 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 55.56 2knb s PHE 45 Cb -0.15 -0.91 0.01 0.00 -0.34 0.00 0.00 43.02 41.63 2knb s PHE 45 CO -0.01 -0.32 0.21 0.00 -1.46 0.00 0.00 175.22 173.64 2knb n ALA 46 N 4.46 -0.80 -1.04 11.12 0.00 -1.26 -0.50 120.51 132.50 2knb n ALA 46 Ca -0.18 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2knb n ALA 46 Cb 0.51 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.43 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 -1.11 0.50 3.02 0.00 0.00 -1.26 -5.02 105.19 101.32 2knb n GLY 47 Ca -0.16 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.58 1.97 -0.25 1.61 1.02 0.34 -5.10 119.74 117.76 2knb s LYS 48 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 2knb s LYS 48 Cb 0.00 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.59 2knb s LYS 48 CO 0.00 -0.08 1.33 -1.21 -0.92 0.00 0.00 175.35 174.48 2knb s GLU 49 N 1.03 4.00 0.00 1.68 2.02 -1.26 -0.29 118.70 125.89 2knb s GLU 49 Ca -0.07 1.44 -0.30 0.00 0.02 0.00 0.00 54.97 56.06 2knb s GLU 49 Cb -0.15 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 2knb s GLU 49 CO -0.01 -1.01 1.09 -0.51 0.02 0.00 0.00 175.26 174.84 2knb s LEU 50 N 4.20 4.35 0.29 1.80 1.43 0.92 -4.97 118.68 126.70 2knb s LEU 50 Ca 0.58 1.80 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 2knb s LEU 50 Cb -0.19 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 2knb s LEU 50 CO 0.21 -0.40 1.03 -1.10 0.23 0.00 0.00 176.35 176.32 2knb s GLN 51 N 1.29 4.62 0.44 1.70 -0.21 -1.26 -4.46 119.66 121.77 2knb s GLN 51 Ca 0.55 1.61 0.25 0.00 0.02 0.00 0.00 55.36 57.79 2knb s GLN 51 Cb -0.24 -3.06 1.27 0.00 1.00 0.00 0.00 33.01 31.98 2knb s GLN 51 CO 0.27 0.25 1.74 -0.97 -2.12 0.00 0.00 175.29 174.45 2knb h ASN 52 N 3.62 0.31 -0.05 5.90 -1.24 -1.95 0.12 115.58 122.30 2knb h ASN 52 Ca -0.46 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.62 2knb h ASN 52 Cb 1.21 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2knb h ASN 52 CO 0.66 0.01 0.00 1.57 -1.29 0.00 0.00 177.43 178.38 2knb n HIS 53 N -4.55 0.05 -2.40 0.67 -0.00 -1.26 -2.60 115.22 105.12 2knb n HIS 53 Ca 0.28 -0.02 -0.30 0.00 0.46 0.00 0.00 57.72 58.14 2knb n HIS 53 Cb 1.10 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.96 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 -1.89 3.55 0.33 0.27 1.43 0.42 -4.87 118.68 117.92 2knb s LEU 54 Ca 0.38 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.79 2knb s LEU 54 Cb 0.20 -4.21 -0.07 0.00 0.03 0.00 0.00 46.19 42.14 2knb s LEU 54 CO 0.32 -0.63 -0.01 0.42 0.23 0.00 0.00 176.35 176.68 2knb s THR 55 N -2.77 1.67 0.12 5.49 -4.23 -1.26 -0.27 115.64 114.38 2knb s THR 55 Ca 0.53 -2.07 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 2knb s THR 55 Cb -0.10 -2.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.96 2knb s THR 55 CO 0.42 -0.13 1.68 0.58 -0.54 0.00 0.00 174.62 176.64 2knb h VAL 56 N 2.07 0.67 0.00 2.29 2.07 -1.04 -1.85 116.25 120.47 2knb h VAL 56 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2knb h VAL 56 Cb 1.24 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2knb h VAL 56 CO 0.72 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.31 2knb n GLN 57 N -5.26 0.04 -0.77 1.57 10.64 -0.50 -2.41 117.38 120.70 2knb n GLN 57 Ca -0.05 0.19 0.08 0.00 -1.83 0.00 0.00 57.00 55.39 2knb n GLN 57 Cb 0.18 -1.50 0.37 0.00 -0.86 0.00 0.00 30.24 28.43 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 -1.46 5.21 -3.77 2.61 5.15 -0.70 -4.95 115.26 117.34 2knb n ASN 58 Ca 0.05 -2.93 -0.10 0.00 -0.60 0.00 0.00 54.58 50.99 2knb n ASN 58 Cb 0.19 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.75 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 -0.67 4.02 -4.46 0.00 5.75 -1.26 -4.79 116.55 115.13 2knb n ASP 60 Ca -0.01 -2.54 -0.43 0.00 -0.01 0.00 0.00 54.79 51.80 2knb n ASP 60 Cb 0.62 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 2knb n ASP 60 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2knb s LEU 61 N -0.94 4.37 0.00 -2.12 0.20 -1.26 -5.00 118.68 113.93 2knb s LEU 61 Ca 0.16 -1.16 0.02 0.00 0.69 0.00 0.00 54.13 53.85 2knb s LEU 61 Cb 0.13 -2.43 0.06 0.00 -0.43 0.00 0.00 46.19 43.52 2knb s LEU 61 CO 0.02 -1.41 0.43 -1.84 -0.29 0.00 0.00 176.35 173.27 2knb n GLU 62 N 7.68 0.55 -2.06 1.98 0.28 -1.26 -4.82 120.64 122.99 2knb n GLU 62 Ca 0.03 -1.42 -0.41 0.00 -0.16 0.00 0.00 57.16 55.20 2knb n GLU 62 Cb 0.47 -0.21 -0.02 0.00 1.43 0.00 0.00 31.44 33.10 2knb n GLU 62 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2knb s GLN 63 N -3.48 4.31 -1.33 3.44 2.00 -1.26 -3.15 119.66 120.18 2knb s GLN 63 Ca 0.31 2.27 0.00 0.00 -2.00 0.00 0.00 55.36 55.93 2knb s GLN 63 Cb -0.02 -3.08 0.00 0.00 0.80 0.00 0.00 33.01 30.71 2knb s GLN 63 CO 0.20 -0.29 0.00 1.04 -0.50 0.00 0.00 175.29 175.74 2knb n GLN 64 N 1.34 -1.14 -3.39 1.67 6.02 0.32 -5.00 117.38 117.20 2knb n GLN 64 Ca 0.02 0.79 -0.32 0.00 -0.01 0.00 0.00 57.00 57.48 2knb n GLN 64 Cb 0.41 -5.06 -0.05 0.00 1.02 0.00 0.00 30.24 26.56 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 -2.46 6.65 -0.11 1.08 0.01 -1.19 -4.80 113.70 112.90 2knb s SER 65 Ca 0.00 0.96 -0.05 0.00 1.31 0.00 0.00 55.95 58.17 2knb s SER 65 Cb 0.00 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2knb s SER 65 CO 0.00 -0.07 0.08 -0.51 0.41 0.00 0.00 173.24 173.15 2knb s ILE 66 N -1.80 4.97 0.03 1.44 2.07 -1.26 -0.37 121.20 126.28 2knb s ILE 66 Ca 0.47 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.77 2knb s ILE 66 Cb -0.11 -3.14 -0.02 0.00 0.13 0.00 0.00 42.46 39.32 2knb s ILE 66 CO 0.21 0.61 -0.16 0.68 -1.91 0.00 0.00 174.94 174.37 2knb s VAL 67 N -0.95 1.25 -0.35 4.00 -7.23 0.77 -4.71 120.40 113.18 2knb s VAL 67 Ca 0.14 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2knb s VAL 67 Cb -0.12 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.76 2knb s VAL 67 CO 0.03 0.13 0.13 -2.28 -0.31 0.00 0.00 175.10 172.80 2knb s HIS 68 N -0.72 3.26 -0.34 2.82 2.46 -0.36 -0.49 115.29 121.91 2knb s HIS 68 Ca 0.04 -1.31 -0.10 0.00 0.47 0.00 0.00 55.06 54.15 2knb s HIS 68 Cb -0.08 -2.34 0.00 0.00 -0.13 0.00 0.00 32.58 30.04 2knb s HIS 68 CO 0.01 -0.71 0.18 0.42 -2.47 0.00 0.00 174.74 172.17 2knb s ILE 69 N 1.44 4.67 0.15 0.89 1.01 0.12 -0.47 121.20 129.00 2knb s ILE 69 Ca -0.01 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.16 2knb s ILE 69 Cb -0.19 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2knb s ILE 69 CO 0.04 -0.05 -0.15 0.68 0.00 0.00 0.00 174.94 175.46 2knb s VAL 70 N 1.61 1.53 -0.07 2.92 -7.23 -0.22 -3.89 120.40 115.05 2knb s VAL 70 Ca 0.04 -1.86 -0.23 0.00 -1.81 0.00 0.00 61.98 58.12 2knb s VAL 70 Cb -0.18 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2knb s VAL 70 CO 0.07 -0.43 0.68 -1.58 -0.31 0.00 0.00 175.10 173.53 2knb s GLN 71 N -2.90 4.43 -0.43 4.82 0.74 -1.26 0.12 119.66 125.17 2knb s GLN 71 Ca 0.13 0.84 -0.22 0.00 0.05 0.00 0.00 55.36 56.17 2knb s GLN 71 Cb -0.04 -3.44 0.02 0.00 1.10 0.00 0.00 33.01 30.65 2knb s GLN 71 CO 0.04 0.09 0.69 0.50 -0.55 0.00 0.00 175.29 176.06 2knb s ARG 72 N 0.74 3.37 0.08 1.67 6.06 0.24 -4.93 118.95 126.18 2knb s ARG 72 Ca 0.36 -0.23 -0.31 0.00 -2.50 0.00 0.00 55.73 53.06 2knb s ARG 72 Cb -0.18 -3.93 -0.08 0.00 0.06 0.00 0.00 34.95 30.83 2knb s ARG 72 CO 0.17 -1.01 1.47 -1.25 -2.50 0.00 0.00 175.30 172.18 2knb s PRO 73 N 2.97 4.27 -0.05 5.12 0.04 -1.26 -4.82 135.00 141.26 2knb s PRO 73 Ca 0.25 2.13 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 2knb s PRO 73 Cb -0.13 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 31.02 2knb s PRO 73 CO 0.20 -0.56 -0.01 1.14 0.04 0.00 0.00 177.00 177.80 2knb s GLN 74 N 1.82 0.56 -0.92 4.56 -2.07 -1.26 -5.08 119.66 117.27 2knb s GLN 74 Ca 0.67 0.05 -0.24 0.00 -1.82 0.00 0.00 55.36 54.02 2knb s GLN 74 Cb -0.37 -0.78 -0.01 0.00 -1.09 0.00 0.00 33.01 30.77 2knb s GLN 74 CO 0.30 -0.19 1.74 1.03 -1.32 0.00 0.00 175.29 176.85 2knb s ARG 75 N 1.41 2.95 0.00 9.60 0.52 -1.26 -5.21 118.95 126.96 2knb s ARG 75 Ca -0.04 -0.53 0.31 0.00 -0.52 0.00 0.00 55.73 54.95 2knb s ARG 75 Cb -0.13 -5.10 1.69 0.00 0.52 0.00 0.00 34.95 31.93 2knb s ARG 75 CO -0.03 -2.89 2.11 1.63 0.02 0.00 0.00 175.30 176.14