#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 5.36 0.00 2.02 -1.09 -1.26 -0.39 121.20 125.84 2knb s ILE 2 Ca 0.00 0.18 0.06 0.00 -2.23 0.00 0.00 60.65 58.65 2knb s ILE 2 Cb 0.00 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.39 2knb s ILE 2 CO 0.00 0.39 -0.18 0.68 -1.23 0.00 0.00 174.94 174.60 2knb s VAL 3 N 0.75 1.41 -0.32 2.92 -7.23 -0.56 -2.04 120.40 115.33 2knb s VAL 3 Ca 0.08 -0.85 -0.15 0.00 -1.81 0.00 0.00 61.98 59.25 2knb s VAL 3 Cb -0.12 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 2knb s VAL 3 CO 0.02 0.33 0.35 -0.36 -0.31 0.00 0.00 175.10 175.13 2knb s PHE 4 N -0.52 3.22 -0.22 2.82 0.08 0.09 -0.14 117.98 123.31 2knb s PHE 4 Ca 0.06 0.08 -0.13 0.00 0.12 0.00 0.00 56.93 57.06 2knb s PHE 4 Cb -0.07 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.70 2knb s PHE 4 CO -0.00 -0.37 0.29 0.08 -0.10 0.00 0.00 175.22 175.12 2knb s VAL 5 N 2.01 5.27 -0.22 -0.44 1.01 0.19 -0.02 120.40 128.20 2knb s VAL 5 Ca 0.12 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 2knb s VAL 5 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2knb s VAL 5 CO 0.11 0.30 -0.12 -0.60 0.00 0.00 0.00 175.10 174.79 2knb s ARG 6 N 1.17 2.90 -0.81 2.72 3.52 -0.03 -0.20 118.95 128.22 2knb s ARG 6 Ca 0.14 -0.92 -0.09 0.00 -0.13 0.00 0.00 55.73 54.74 2knb s ARG 6 Cb -0.14 -2.81 0.21 0.00 -1.56 0.00 0.00 34.95 30.65 2knb s ARG 6 CO 0.06 -0.32 0.72 0.12 -0.81 0.00 0.00 175.30 175.07 2knb s PHE 7 N 1.30 3.74 -1.33 5.12 5.36 -1.26 -0.04 117.98 130.87 2knb s PHE 7 Ca 0.02 -2.43 0.00 0.00 -0.96 0.00 0.00 56.93 53.56 2knb s PHE 7 Cb -0.15 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 2knb s PHE 7 CO -0.08 -0.91 0.00 -1.71 -1.46 0.00 0.00 175.22 171.06 2knb n ASN 8 N 3.45 -3.48 -2.62 6.13 4.05 -1.24 -4.91 115.26 116.63 2knb n ASN 8 Ca 0.14 0.30 -0.05 0.00 0.45 0.00 0.00 54.58 55.42 2knb n ASN 8 Cb 0.42 -3.22 0.00 0.00 1.23 0.00 0.00 39.78 38.21 2knb n ASN 8 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2knb n SER 9 N -0.66 1.17 -0.07 1.20 3.41 -1.26 -5.07 113.62 112.35 2knb n SER 9 Ca -0.13 -1.40 -0.22 0.00 -0.26 0.00 0.00 58.87 56.87 2knb n SER 9 Cb 0.45 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.12 0.13 -2.51 4.04 4.64 -1.99 -3.49 113.55 114.49 2knb h SER 10 Ca -0.07 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 2knb h SER 10 Cb 0.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2knb h SER 10 CO 0.11 1.58 0.00 0.00 -0.87 0.00 0.00 176.83 177.65 2knb n TYR 11 N -4.18 -1.14 -3.80 4.77 0.18 -1.26 -5.09 117.16 106.64 2knb n TYR 11 Ca -0.31 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.35 2knb n TYR 11 Cb 0.78 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.65 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 -1.41 -0.07 -0.20 -7.48 0.00 -1.26 -4.46 107.32 92.44 2knb s GLY 12 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.71 2knb s GLY 12 CO 0.00 -0.07 0.23 -0.11 0.00 0.00 0.00 173.10 173.15 2knb s PHE 13 N -1.50 3.39 -0.05 1.90 -0.71 0.72 -4.72 117.98 117.02 2knb s PHE 13 Ca -0.13 0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 55.88 2knb s PHE 13 Cb -0.06 -2.31 -0.04 0.00 -1.21 0.00 0.00 43.02 39.41 2knb s PHE 13 CO 0.02 0.16 1.28 -1.25 -1.34 0.00 0.00 175.22 174.09 2knb s PRO 14 N 0.77 4.31 -0.03 1.99 0.04 -1.26 -0.64 135.00 140.18 2knb s PRO 14 Ca 0.12 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2knb s PRO 14 Cb -0.13 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.80 2knb s PRO 14 CO 0.03 -0.52 -0.23 0.08 0.04 0.00 0.00 177.00 176.40 2knb s VAL 15 N 2.45 2.29 -0.51 -0.36 1.01 0.79 -4.92 120.40 121.14 2knb s VAL 15 Ca 0.59 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2knb s VAL 15 Cb -0.27 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.35 2knb s VAL 15 CO 0.23 0.58 0.73 -0.70 0.00 0.00 0.00 175.10 175.93 2knb s GLU 16 N -0.61 3.20 0.51 2.72 2.56 -1.26 -1.49 118.70 124.33 2knb s GLU 16 Ca 0.10 -0.65 0.01 0.00 0.00 0.00 0.00 54.97 54.43 2knb s GLU 16 Cb -0.10 -4.07 -0.00 0.00 2.00 0.00 0.00 34.13 31.95 2knb s GLU 16 CO -0.00 -1.28 0.02 0.14 -0.56 0.00 0.00 175.26 173.57 2knb s VAL 17 N 3.06 0.96 0.33 3.70 -7.23 0.48 -4.90 120.40 116.80 2knb s VAL 17 Ca 0.21 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2knb s VAL 17 Cb -0.17 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2knb s VAL 17 CO 0.15 0.00 0.12 1.51 -0.31 0.00 0.00 175.10 176.57 2knb s ASP 18 N -3.86 2.04 0.49 4.85 -4.77 -1.26 0.40 116.67 114.56 2knb s ASP 18 Ca 0.04 -1.53 0.15 0.00 -3.30 0.00 0.00 52.55 47.91 2knb s ASP 18 Cb 0.00 0.29 1.15 0.00 -1.09 0.00 0.00 42.92 43.27 2knb s ASP 18 CO 0.03 -0.82 2.08 0.28 0.70 0.00 0.00 175.17 177.44 2knb h SER 19 N 2.09 0.02 0.59 2.11 0.02 -1.97 -1.34 113.55 115.06 2knb h SER 19 Ca -0.36 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2knb h SER 19 Cb 1.26 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2knb h SER 19 CO 0.58 0.08 -0.10 -0.67 -1.14 0.00 0.00 176.83 175.59 2knb n ASP 20 N -4.45 0.23 -4.72 3.07 -0.08 -1.26 -1.96 116.55 107.38 2knb n ASP 20 Ca -0.03 -0.16 -0.42 0.00 -1.51 0.00 0.00 54.79 52.67 2knb n ASP 20 Cb 0.15 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.38 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 -2.69 3.53 0.27 5.18 2.01 -0.51 -4.83 115.64 118.61 2knb s THR 21 Ca 0.23 1.10 0.01 0.00 0.31 0.00 0.00 61.69 63.34 2knb s THR 21 Cb 0.20 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2knb s THR 21 CO 0.51 0.09 0.45 -0.44 -0.69 0.00 0.00 174.62 174.54 2knb s SER 22 N 1.07 6.34 0.26 3.53 0.01 -1.26 -1.68 113.70 121.96 2knb s SER 22 Ca 0.63 0.36 -0.02 0.00 1.31 0.00 0.00 55.95 58.22 2knb s SER 22 Cb -0.35 -1.99 0.45 0.00 0.21 0.00 0.00 66.02 64.34 2knb s SER 22 CO 0.30 -0.16 1.83 0.40 0.41 0.00 0.00 173.24 176.02 2knb h ILE 23 N 1.13 0.94 -0.87 1.44 1.08 -1.20 -1.59 117.51 118.44 2knb h ILE 23 Ca -0.50 -0.31 0.11 0.00 -0.39 0.00 0.00 64.86 63.77 2knb h ILE 23 Cb 1.21 -0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.83 2knb h ILE 23 CO 0.64 0.17 0.50 0.15 -0.69 0.00 0.00 178.15 178.91 2knb h PHE 24 N 0.91 0.90 0.01 1.37 3.57 -1.74 0.37 116.94 122.33 2knb h PHE 24 Ca 0.43 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 2knb h PHE 24 Cb 0.38 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2knb h PHE 24 CO -0.03 0.33 -0.01 1.96 -2.23 0.00 0.00 178.31 178.33 2knb h GLN 25 N 0.80 -0.02 -0.22 1.11 4.20 -1.61 -1.09 115.11 118.28 2knb h GLN 25 Ca 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.13 2knb h GLN 25 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2knb h GLN 25 CO -0.27 0.06 0.06 1.25 -0.67 0.00 0.00 178.83 179.26 2knb h LEU 26 N -0.09 0.28 -0.42 1.46 5.85 -1.21 -1.98 115.31 119.20 2knb h LEU 26 Ca -0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2knb h LEU 26 Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2knb h LEU 26 CO 0.00 0.28 0.10 0.11 -0.34 0.00 0.00 178.44 178.60 2knb h LYS 27 N 0.31 0.67 0.00 1.25 1.57 -0.37 -2.41 116.57 117.58 2knb h LYS 27 Ca 0.08 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2knb h LYS 27 Cb 0.11 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2knb h LYS 27 CO -0.00 0.68 -0.04 0.93 -0.57 0.00 0.00 179.45 180.44 2knb h GLU 28 N 0.54 0.00 -0.76 3.15 5.08 -0.48 -0.22 114.58 121.89 2knb h GLU 28 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2knb h GLU 28 Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2knb h GLU 28 CO 0.00 0.04 0.40 0.28 -1.00 0.00 0.00 179.01 178.73 2knb h VAL 29 N 0.00 1.23 0.03 3.13 2.07 -0.98 -0.87 116.25 120.86 2knb h VAL 29 Ca -0.00 -0.60 -0.22 0.00 0.82 0.00 0.00 66.70 66.70 2knb h VAL 29 Cb 0.07 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2knb h VAL 29 CO 0.01 0.26 -0.98 0.58 0.02 0.00 0.00 177.57 177.46 2knb h VAL 30 N 1.05 1.48 0.08 2.57 2.07 -1.26 -3.10 116.25 119.14 2knb h VAL 30 Ca 0.26 -2.71 0.01 0.00 0.82 0.00 0.00 66.70 65.09 2knb h VAL 30 Cb 0.06 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 2knb h VAL 30 CO -0.04 0.79 -0.12 0.00 0.02 0.00 0.00 177.57 178.22 2knb h ALA 31 N 0.82 -0.20 0.00 1.67 0.00 -0.58 0.66 119.26 121.62 2knb h ALA 31 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2knb h ALA 31 Cb 1.64 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2knb h ALA 31 CO 0.16 -0.64 0.00 1.57 0.00 0.00 0.00 179.25 180.34 2knb h LYS 32 N -0.25 0.00 0.00 0.00 2.10 -1.25 0.14 116.57 117.31 2knb h LYS 32 Ca 0.02 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.52 2knb h LYS 32 Cb 0.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 2knb h LYS 32 CO -0.06 0.00 -0.79 -0.09 -2.00 0.00 0.00 179.45 176.51 2knb h ARG 33 N 0.00 0.00 -0.01 0.07 2.43 -1.24 -3.39 114.38 112.24 2knb h ARG 33 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2knb h ARG 33 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2knb h ARG 33 CO 0.00 1.00 -0.42 1.04 -1.51 0.00 0.00 179.97 180.08 2knb n GLN 34 N -4.50 0.86 -3.06 0.20 1.13 0.14 -4.96 117.38 107.19 2knb n GLN 34 Ca -0.24 -0.62 -0.13 0.00 -1.94 0.00 0.00 57.00 54.07 2knb n GLN 34 Cb 0.61 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.52 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 1.40 -0.02 3.19 1.08 0.00 0.44 -5.03 105.19 106.25 2knb n GLY 35 Ca 0.10 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.21 1.74 0.14 1.61 1.01 -0.99 -5.06 120.40 115.64 2knb s VAL 36 Ca 0.20 -0.88 -0.35 0.00 0.00 0.00 0.00 61.98 60.96 2knb s VAL 36 Cb -0.09 -1.49 -0.15 0.00 0.00 0.00 0.00 36.38 34.65 2knb s VAL 36 CO 0.46 0.49 1.43 -2.65 0.00 0.00 0.00 175.10 174.83 2knb n PRO 37 N 3.15 1.67 0.02 2.72 -0.02 -1.26 -4.39 135.00 136.89 2knb n PRO 37 Ca -0.18 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2knb n PRO 37 Cb 0.52 -2.29 0.55 0.00 -0.02 0.00 0.00 33.50 32.27 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 5.00 2.04 0.00 3.55 0.00 -1.93 -0.02 119.26 127.89 2knb h ALA 38 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2knb h ALA 38 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2knb h ALA 38 CO 0.82 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.54 2knb n ASP 39 N -4.47 0.00 -1.30 0.00 5.75 -1.26 -2.52 116.55 112.74 2knb n ASP 39 Ca 0.06 0.39 0.09 0.00 -0.01 0.00 0.00 54.79 55.31 2knb n ASP 39 Cb 0.29 -0.45 0.31 0.00 -1.03 0.00 0.00 41.12 40.23 2knb n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2knb n GLN 40 N -1.45 3.32 -4.77 0.11 6.02 -0.02 -4.94 117.38 115.64 2knb n GLN 40 Ca 0.06 -2.70 -0.33 0.00 -0.01 0.00 0.00 57.00 54.03 2knb n GLN 40 Cb 0.23 -1.72 -0.12 0.00 1.02 0.00 0.00 30.24 29.65 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 -1.64 2.90 0.08 1.08 1.43 -1.05 0.19 118.68 121.68 2knb s LEU 41 Ca 0.45 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.51 2knb s LEU 41 Cb 0.28 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 2knb s LEU 41 CO 0.23 0.35 -0.25 -0.13 0.23 0.00 0.00 176.35 176.77 2knb s ARG 42 N -0.81 1.53 -0.18 1.70 1.81 0.16 -4.89 118.95 118.26 2knb s ARG 42 Ca 0.12 -1.19 0.01 0.00 -1.72 0.00 0.00 55.73 52.95 2knb s ARG 42 Cb -0.11 -1.84 0.02 0.00 -0.45 0.00 0.00 34.95 32.57 2knb s ARG 42 CO 0.01 0.45 -0.19 0.08 -0.68 0.00 0.00 175.30 174.98 2knb s VAL 43 N -0.94 2.14 -0.13 3.52 1.01 -1.26 -1.31 120.40 123.42 2knb s VAL 43 Ca 0.12 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2knb s VAL 43 Cb -0.10 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 2knb s VAL 43 CO 0.04 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.87 2knb s ILE 44 N 1.30 2.57 -0.03 2.22 1.01 0.31 -0.05 121.20 128.52 2knb s ILE 44 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2knb s ILE 44 Cb -0.13 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.31 2knb s ILE 44 CO -0.12 0.53 0.01 0.12 0.00 0.00 0.00 174.94 175.48 2knb s PHE 45 N 0.56 0.19 -1.51 3.97 5.36 0.45 -0.47 117.98 126.52 2knb s PHE 45 Ca -0.11 0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 55.86 2knb s PHE 45 Cb -0.16 -0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.20 2knb s PHE 45 CO 0.04 -0.11 0.63 0.00 -1.46 0.00 0.00 175.22 174.32 2knb n ALA 46 N 4.16 -1.01 -2.06 11.12 0.00 -1.26 -1.32 120.51 130.13 2knb n ALA 46 Ca -0.27 0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2knb n ALA 46 Cb 0.50 -3.85 -0.01 0.00 0.00 0.00 0.00 19.45 16.09 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 -1.51 0.13 2.84 0.00 0.00 -1.26 -5.01 105.19 100.38 2knb n GLY 47 Ca -0.09 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.29 0.19 -0.30 1.61 1.02 -0.43 -5.12 119.74 112.43 2knb s LYS 48 Ca 0.00 0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 2knb s LYS 48 Cb 0.00 -0.33 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 2knb s LYS 48 CO 0.00 -0.08 1.12 -2.00 -0.92 0.00 0.00 175.35 173.48 2knb s GLU 49 N 0.65 4.07 0.03 1.68 2.12 -1.26 -0.41 118.70 125.58 2knb s GLU 49 Ca -0.06 1.18 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 2knb s GLU 49 Cb -0.09 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 2knb s GLU 49 CO -0.01 -0.89 1.13 -0.51 -0.54 0.00 0.00 175.26 174.44 2knb s LEU 50 N 3.71 4.36 0.27 2.70 1.43 0.92 -4.99 118.68 127.08 2knb s LEU 50 Ca 0.48 1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 55.18 2knb s LEU 50 Cb -0.14 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 2knb s LEU 50 CO 0.16 -0.42 1.40 -1.10 0.23 0.00 0.00 176.35 176.62 2knb s GLN 51 N 1.13 4.29 0.34 1.70 -1.52 -1.26 -4.58 119.66 119.76 2knb s GLN 51 Ca 0.56 2.27 0.10 0.00 -1.95 0.00 0.00 55.36 56.35 2knb s GLN 51 Cb -0.27 -3.11 0.88 0.00 -0.22 0.00 0.00 33.01 30.30 2knb s GLN 51 CO 0.28 -0.36 1.77 -0.97 -0.25 0.00 0.00 175.29 175.77 2knb h ASN 52 N 4.64 0.66 -0.33 5.90 -1.24 -1.95 0.15 115.58 123.41 2knb h ASN 52 Ca -0.47 0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2knb h ASN 52 Cb 1.22 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2knb h ASN 52 CO 0.74 0.18 0.00 1.41 -1.29 0.00 0.00 177.43 178.48 2knb n HIS 53 N -4.75 0.43 -2.82 0.67 8.25 -1.26 -2.33 115.22 113.41 2knb n HIS 53 Ca 0.24 -0.22 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 2knb n HIS 53 Cb 0.69 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.74 2knb n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2knb s LEU 54 N -1.03 4.41 0.15 2.41 1.43 0.53 -4.90 118.68 121.68 2knb s LEU 54 Ca 0.23 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 55.19 2knb s LEU 54 Cb 0.12 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2knb s LEU 54 CO 0.16 0.00 -0.01 -0.89 0.23 0.00 0.00 176.35 175.84 2knb s THR 55 N -1.50 3.75 0.18 5.49 2.01 -1.26 -1.11 115.64 123.20 2knb s THR 55 Ca 0.47 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 2knb s THR 55 Cb -0.20 -2.85 0.12 0.00 0.01 0.00 0.00 72.50 69.58 2knb s THR 55 CO 0.25 -0.04 1.67 0.58 -0.69 0.00 0.00 174.62 176.38 2knb h VAL 56 N 2.62 0.57 0.00 3.82 2.07 -1.29 0.16 116.25 124.21 2knb h VAL 56 Ca -0.47 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2knb h VAL 56 Cb 1.19 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2knb h VAL 56 CO 0.58 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.17 2knb n GLN 57 N -5.31 0.05 -0.00 1.57 10.64 -0.83 -2.01 117.38 121.49 2knb n GLN 57 Ca 0.04 0.29 0.06 0.00 -1.83 0.00 0.00 57.00 55.55 2knb n GLN 57 Cb 0.24 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.05 2knb n GLN 57 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2knb n ASN 58 N -1.42 1.21 -2.95 2.61 4.13 0.40 -5.02 115.26 114.21 2knb n ASN 58 Ca 0.03 -0.48 -0.07 0.00 1.68 0.00 0.00 54.58 55.74 2knb n ASN 58 Cb 0.10 1.21 0.02 0.00 -1.54 0.00 0.00 39.78 39.56 2knb n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2knb h ASP 60 N 0.08 0.00 -1.85 0.00 3.32 -1.90 -3.47 116.42 112.60 2knb h ASP 60 Ca -0.09 -0.13 -0.65 0.00 0.02 0.00 0.00 57.03 56.18 2knb h ASP 60 Cb 0.41 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.01 2knb h ASP 60 CO 0.14 0.06 0.58 0.18 -1.72 0.00 0.00 179.24 178.48 2knb n LEU 61 N -2.20 2.11 0.00 1.55 4.77 -1.26 -4.99 117.00 116.98 2knb n LEU 61 Ca 0.04 1.10 -0.18 0.00 -0.03 0.00 0.00 56.01 56.95 2knb n LEU 61 Cb 0.44 -1.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 2knb n LEU 61 CO 0.34 -0.79 -0.11 -1.84 -1.33 0.00 0.00 177.39 173.66 2knb n GLU 62 N 2.95 0.63 -1.82 3.23 0.28 -1.26 -4.88 120.64 119.77 2knb n GLU 62 Ca 0.18 -2.45 -0.42 0.00 -0.16 0.00 0.00 57.16 54.32 2knb n GLU 62 Cb 0.22 1.41 -0.03 0.00 1.43 0.00 0.00 31.44 34.48 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 -3.09 4.16 -0.49 3.44 2.00 -1.26 -2.45 119.66 121.97 2knb s GLN 63 Ca 0.16 2.51 0.00 0.00 -2.00 0.00 0.00 55.36 56.03 2knb s GLN 63 Cb 0.01 -3.09 0.00 0.00 0.80 0.00 0.00 33.01 30.73 2knb s GLN 63 CO 0.12 -0.66 0.00 1.04 -0.50 0.00 0.00 175.29 175.29 2knb n GLN 64 N 3.43 -0.42 -3.30 1.67 6.02 -0.87 -5.03 117.38 118.88 2knb n GLN 64 Ca 0.13 0.35 -0.36 0.00 -0.01 0.00 0.00 57.00 57.12 2knb n GLN 64 Cb 0.37 -4.14 -0.06 0.00 1.02 0.00 0.00 30.24 27.43 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 -2.79 6.89 -0.05 1.08 0.01 -1.03 -4.88 113.70 112.93 2knb s SER 65 Ca 0.00 1.16 0.01 0.00 1.31 0.00 0.00 55.95 58.43 2knb s SER 65 Cb 0.00 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 2knb s SER 65 CO 0.00 0.10 -0.06 -0.51 0.41 0.00 0.00 173.24 173.19 2knb s ILE 66 N -1.45 3.79 0.07 1.44 2.07 -1.26 -0.73 121.20 125.13 2knb s ILE 66 Ca 0.38 -0.52 0.07 0.00 -1.41 0.00 0.00 60.65 59.17 2knb s ILE 66 Cb -0.16 -2.58 -0.03 0.00 0.13 0.00 0.00 42.46 39.82 2knb s ILE 66 CO 0.19 0.55 -0.18 0.68 -1.91 0.00 0.00 174.94 174.27 2knb s VAL 67 N -0.87 1.45 -0.39 4.00 -7.23 0.97 -4.74 120.40 113.58 2knb s VAL 67 Ca 0.14 -1.28 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 2knb s VAL 67 Cb -0.11 -1.31 0.07 0.00 0.56 0.00 0.00 36.38 35.59 2knb s VAL 67 CO 0.03 -0.01 0.21 -2.28 -0.31 0.00 0.00 175.10 172.74 2knb s HIS 68 N -1.02 3.33 -0.42 2.82 2.46 0.38 -0.85 115.29 122.00 2knb s HIS 68 Ca 0.04 -1.57 -0.14 0.00 0.47 0.00 0.00 55.06 53.86 2knb s HIS 68 Cb -0.09 -2.76 0.04 0.00 -0.13 0.00 0.00 32.58 29.63 2knb s HIS 68 CO 0.03 -0.82 0.31 0.42 -2.47 0.00 0.00 174.74 172.21 2knb s ILE 69 N 1.39 5.14 0.19 0.89 1.01 0.94 -0.53 121.20 130.23 2knb s ILE 69 Ca 0.02 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 59.97 2knb s ILE 69 Cb -0.22 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2knb s ILE 69 CO 0.02 -0.37 -0.18 0.68 0.00 0.00 0.00 174.94 175.09 2knb s VAL 70 N 1.65 2.71 -0.11 2.92 -7.23 -0.43 -3.73 120.40 116.18 2knb s VAL 70 Ca 0.04 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.05 2knb s VAL 70 Cb -0.20 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2knb s VAL 70 CO 0.09 -0.12 0.95 -1.58 -0.31 0.00 0.00 175.10 174.13 2knb s GLN 71 N -2.74 4.41 -0.29 4.82 0.74 -1.26 -0.66 119.66 124.66 2knb s GLN 71 Ca 0.23 1.28 -0.12 0.00 0.05 0.00 0.00 55.36 56.80 2knb s GLN 71 Cb -0.08 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 2knb s GLN 71 CO 0.12 -0.27 0.25 0.50 -0.55 0.00 0.00 175.29 175.33 2knb s ARG 72 N 1.89 3.85 -0.07 1.67 6.06 0.13 -4.94 118.95 127.53 2knb s ARG 72 Ca 0.46 -0.32 -0.30 0.00 -2.50 0.00 0.00 55.73 53.07 2knb s ARG 72 Cb -0.18 -3.70 -0.03 0.00 0.06 0.00 0.00 34.95 31.10 2knb s ARG 72 CO 0.18 -0.27 1.18 -1.25 -2.50 0.00 0.00 175.30 172.63 2knb s PRO 73 N 1.83 4.35 -0.18 5.12 0.04 -1.26 -4.75 135.00 140.15 2knb s PRO 73 Ca 0.09 1.64 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 2knb s PRO 73 Cb -0.16 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2knb s PRO 73 CO 0.11 -0.46 0.63 -0.65 0.04 0.00 0.00 177.00 176.68 2knb s GLN 74 N 2.31 4.25 -0.98 4.56 1.11 -1.26 -4.98 119.66 124.66 2knb s GLN 74 Ca 0.55 0.65 -0.23 0.00 0.01 0.00 0.00 55.36 56.33 2knb s GLN 74 Cb -0.24 -3.55 0.02 0.00 -1.01 0.00 0.00 33.01 28.23 2knb s GLN 74 CO 0.21 -0.19 1.60 0.50 0.01 0.00 0.00 175.29 177.42 2knb s ARG 75 N 1.72 3.27 0.00 2.91 6.06 -1.26 -5.26 118.95 126.38 2knb s ARG 75 Ca 0.30 -0.86 0.00 0.00 -2.50 0.00 0.00 55.73 52.67 2knb s ARG 75 Cb -0.16 -5.26 0.00 0.00 0.06 0.00 0.00 34.95 29.59 2knb s ARG 75 CO 0.11 -2.57 0.10 1.17 -2.50 0.00 0.00 175.30 171.61