#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 4.96 0.11 2.02 -1.09 -1.26 -0.75 121.20 125.19 2knb s ILE 2 Ca 0.00 1.50 0.10 0.00 -2.23 0.00 0.00 60.65 60.02 2knb s ILE 2 Cb 0.00 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2knb s ILE 2 CO 0.00 0.12 -0.25 0.68 -1.23 0.00 0.00 174.94 174.25 2knb s VAL 3 N 1.65 2.10 -0.36 2.92 -7.23 -0.23 -0.30 120.40 118.96 2knb s VAL 3 Ca 0.37 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.72 2knb s VAL 3 Cb -0.17 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 2knb s VAL 3 CO 0.14 0.08 0.38 -0.36 -0.31 0.00 0.00 175.10 175.03 2knb s PHE 4 N -1.05 3.20 -0.22 2.82 0.08 0.33 0.04 117.98 123.18 2knb s PHE 4 Ca 0.12 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.97 2knb s PHE 4 Cb -0.10 -2.71 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 2knb s PHE 4 CO 0.05 -0.49 0.14 0.08 -0.10 0.00 0.00 175.22 174.90 2knb s VAL 5 N 2.04 5.33 -0.12 -0.44 1.01 0.49 -0.47 120.40 128.24 2knb s VAL 5 Ca 0.12 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2knb s VAL 5 Cb -0.17 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2knb s VAL 5 CO 0.12 0.40 -0.21 -0.60 0.00 0.00 0.00 175.10 174.80 2knb s ARG 6 N 0.68 2.90 -0.54 2.72 3.52 -0.31 -0.36 118.95 127.56 2knb s ARG 6 Ca 0.07 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2knb s ARG 6 Cb -0.12 -2.31 0.14 0.00 -1.56 0.00 0.00 34.95 31.10 2knb s ARG 6 CO 0.01 0.03 0.32 0.12 -0.81 0.00 0.00 175.30 174.97 2knb s PHE 7 N 0.71 3.41 -1.24 5.12 5.36 -1.26 0.06 117.98 130.15 2knb s PHE 7 Ca -0.10 -2.81 0.00 0.00 -0.96 0.00 0.00 56.93 53.05 2knb s PHE 7 Cb -0.16 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 2knb s PHE 7 CO 0.01 -0.85 0.00 -1.71 -1.46 0.00 0.00 175.22 171.21 2knb n ASN 8 N 3.64 -4.04 -2.76 6.13 5.15 -1.25 -4.92 115.26 117.20 2knb n ASN 8 Ca 0.05 0.21 -0.08 0.00 -0.60 0.00 0.00 54.58 54.16 2knb n ASN 8 Cb 0.37 -3.50 -0.01 0.00 -0.53 0.00 0.00 39.78 36.11 2knb n ASN 8 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2knb n SER 9 N -1.49 2.07 -0.10 1.20 7.64 -1.26 -5.08 113.62 116.60 2knb n SER 9 Ca -0.15 -1.59 -0.21 0.00 1.01 0.00 0.00 58.87 57.92 2knb n SER 9 Cb 0.58 0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.72 2knb n SER 9 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2knb h SER 10 N 0.29 0.00 -2.10 6.43 4.64 -1.99 -3.49 113.55 117.32 2knb h SER 10 Ca -0.11 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 2knb h SER 10 Cb 0.36 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2knb h SER 10 CO 0.18 1.46 0.00 0.00 -0.87 0.00 0.00 176.83 177.61 2knb n TYR 11 N -4.44 -0.25 -3.78 4.77 4.11 -1.26 -5.09 117.16 111.22 2knb n TYR 11 Ca -0.31 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.50 2knb n TYR 11 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.97 2knb n TYR 11 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2knb s GLY 12 N -1.09 0.01 -0.08 -7.48 0.00 -1.26 -4.52 107.32 92.91 2knb s GLY 12 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.37 2knb s GLY 12 CO 0.00 -0.38 -0.06 -0.11 0.00 0.00 0.00 173.10 172.55 2knb s PHE 13 N -3.89 2.96 -0.07 1.90 -0.12 0.51 -4.78 117.98 114.49 2knb s PHE 13 Ca 0.10 -0.01 -0.30 0.00 -0.05 0.00 0.00 56.93 56.68 2knb s PHE 13 Cb -0.00 -1.74 -0.03 0.00 -0.63 0.00 0.00 43.02 40.62 2knb s PHE 13 CO -0.03 0.30 1.18 -1.25 -0.05 0.00 0.00 175.22 175.37 2knb s PRO 14 N -0.69 4.35 -0.05 1.99 0.04 -1.26 -0.37 135.00 139.01 2knb s PRO 14 Ca 0.10 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.83 2knb s PRO 14 Cb -0.11 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 2knb s PRO 14 CO 0.02 -0.45 -0.20 0.08 0.04 0.00 0.00 177.00 176.49 2knb s VAL 15 N 2.28 2.54 -0.42 -0.36 1.01 0.11 -4.90 120.40 120.65 2knb s VAL 15 Ca 0.55 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 2knb s VAL 15 Cb -0.24 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2knb s VAL 15 CO 0.21 0.58 0.75 -0.70 0.00 0.00 0.00 175.10 175.93 2knb s GLU 16 N -0.45 3.48 0.38 2.72 2.56 -1.26 -1.06 118.70 125.06 2knb s GLU 16 Ca 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 54.97 55.02 2knb s GLU 16 Cb -0.12 -3.90 -0.07 0.00 2.00 0.00 0.00 34.13 32.04 2knb s GLU 16 CO 0.01 -1.01 0.03 0.14 -0.56 0.00 0.00 175.26 173.88 2knb s VAL 17 N 3.12 1.58 0.31 3.70 -7.23 0.07 -4.90 120.40 117.04 2knb s VAL 17 Ca 0.28 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.55 2knb s VAL 17 Cb -0.13 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 2knb s VAL 17 CO 0.20 0.00 0.02 1.51 -0.31 0.00 0.00 175.10 176.52 2knb s ASP 18 N -3.61 4.36 0.53 4.85 -4.77 -1.26 -0.50 116.67 116.26 2knb s ASP 18 Ca 0.34 -0.84 0.20 0.00 -3.30 0.00 0.00 52.55 48.96 2knb s ASP 18 Cb 0.09 -0.66 1.38 0.00 -1.09 0.00 0.00 42.92 42.64 2knb s ASP 18 CO 0.16 -0.15 2.14 0.28 0.70 0.00 0.00 175.17 178.30 2knb h SER 19 N 1.82 0.00 -0.49 2.11 0.02 -1.97 -1.05 113.55 113.99 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 0.63 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.65 2knb n ASP 20 N -4.39 4.65 -4.73 3.07 2.03 -1.26 -1.04 116.55 114.88 2knb n ASP 20 Ca -0.01 -2.65 -0.41 0.00 0.52 0.00 0.00 54.79 52.24 2knb n ASP 20 Cb 0.18 -0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 39.91 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 -2.26 4.60 0.29 5.18 2.01 -0.40 -4.86 115.64 120.21 2knb s THR 21 Ca 0.44 1.97 -0.10 0.00 0.31 0.00 0.00 61.69 64.31 2knb s THR 21 Cb 0.32 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 2knb s THR 21 CO 0.15 0.31 0.63 -0.44 -0.69 0.00 0.00 174.62 174.58 2knb s SER 22 N 0.13 6.62 0.28 3.53 0.01 -1.26 -1.32 113.70 121.68 2knb s SER 22 Ca 0.46 1.02 -0.00 0.00 1.31 0.00 0.00 55.95 58.73 2knb s SER 22 Cb -0.22 -2.27 0.48 0.00 0.21 0.00 0.00 66.02 64.22 2knb s SER 22 CO 0.28 -0.18 1.87 0.40 0.41 0.00 0.00 173.24 176.02 2knb h ILE 23 N 1.74 1.02 -0.60 1.44 1.08 -0.43 -1.44 117.51 120.33 2knb h ILE 23 Ca -0.47 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2knb h ILE 23 Cb 1.18 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 2knb h ILE 23 CO 0.67 0.20 0.39 0.15 -0.69 0.00 0.00 178.15 178.87 2knb h PHE 24 N 1.09 0.76 -0.19 1.37 3.57 -1.26 -1.47 116.94 120.81 2knb h PHE 24 Ca 0.45 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 2knb h PHE 24 Cb 0.29 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2knb h PHE 24 CO -0.00 0.48 0.10 1.96 -2.23 0.00 0.00 178.31 178.62 2knb h GLN 25 N 0.81 0.26 -0.10 1.11 4.20 -1.55 -1.78 115.11 118.07 2knb h GLN 25 Ca 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2knb h GLN 25 Cb -0.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2knb h GLN 25 CO -0.05 0.27 0.03 1.25 -0.67 0.00 0.00 178.83 179.67 2knb h LEU 26 N 0.18 0.12 -0.43 1.46 5.85 -1.26 -1.86 115.31 119.38 2knb h LEU 26 Ca 0.06 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2knb h LEU 26 Cb 0.09 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2knb h LEU 26 CO -0.01 0.12 0.02 0.11 -0.34 0.00 0.00 178.44 178.34 2knb h LYS 27 N 0.14 0.76 -0.16 1.25 1.57 -0.58 -2.73 116.57 116.81 2knb h LYS 27 Ca 0.04 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2knb h LYS 27 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2knb h LYS 27 CO -0.00 0.82 0.09 0.93 -0.57 0.00 0.00 179.45 180.71 2knb h GLU 28 N 0.60 0.22 -0.92 3.15 5.08 -0.52 0.48 114.58 122.67 2knb h GLU 28 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2knb h GLU 28 Cb 0.46 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2knb h GLU 28 CO 0.02 0.16 0.54 0.28 -1.00 0.00 0.00 179.01 179.01 2knb h VAL 29 N 0.22 1.26 0.10 3.13 2.07 -1.24 -0.86 116.25 120.93 2knb h VAL 29 Ca 0.06 -0.58 -0.26 0.00 0.82 0.00 0.00 66.70 66.74 2knb h VAL 29 Cb 0.01 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2knb h VAL 29 CO -0.01 0.27 -1.22 0.58 0.02 0.00 0.00 177.57 177.21 2knb h VAL 30 N 1.27 1.51 -0.51 2.57 2.07 -1.35 -3.03 116.25 118.79 2knb h VAL 30 Ca 0.33 -3.11 0.03 0.00 0.82 0.00 0.00 66.70 64.76 2knb h VAL 30 Cb -0.03 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 2knb h VAL 30 CO -0.06 0.90 0.29 0.00 0.02 0.00 0.00 177.57 178.72 2knb h ALA 31 N 0.66 0.65 0.00 1.67 0.00 -0.47 0.37 119.26 122.14 2knb h ALA 31 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2knb h ALA 31 Cb 1.94 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2knb h ALA 31 CO 0.19 -0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.77 2knb n LYS 32 N -4.82 0.16 -0.08 0.00 2.85 -0.37 -1.07 118.16 114.81 2knb n LYS 32 Ca 0.04 0.13 -0.18 0.00 -1.05 0.00 0.00 58.31 57.25 2knb n LYS 32 Cb 0.09 -1.68 -0.12 0.00 -0.65 0.00 0.00 35.03 32.67 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 0.01 0.00 -1.58 2.43 -1.10 -3.39 114.38 110.75 2knb h ARG 33 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2knb h ARG 33 Cb 0.64 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2knb h ARG 33 CO 0.00 1.01 -0.89 1.04 -1.51 0.00 0.00 179.97 179.62 2knb n GLN 34 N -4.50 0.08 -2.44 0.20 1.13 0.00 -4.98 117.38 106.88 2knb n GLN 34 Ca -0.21 -0.01 -0.04 0.00 -1.94 0.00 0.00 57.00 54.81 2knb n GLN 34 Cb 0.59 -1.52 0.02 0.00 0.11 0.00 0.00 30.24 29.44 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 1.46 0.43 3.09 1.08 0.00 -0.24 -5.06 105.19 105.95 2knb n GLY 35 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.07 1.25 -0.16 1.61 1.01 -0.84 -5.05 120.40 115.16 2knb s VAL 36 Ca 0.04 -0.60 -0.40 0.00 0.00 0.00 0.00 61.98 61.02 2knb s VAL 36 Cb -0.02 -1.09 -0.17 0.00 0.00 0.00 0.00 36.38 35.10 2knb s VAL 36 CO 0.14 0.37 1.50 -2.65 0.00 0.00 0.00 175.10 174.45 2knb n PRO 37 N 3.31 0.81 0.31 2.72 -0.02 -1.26 -4.36 135.00 136.51 2knb n PRO 37 Ca -0.19 0.30 0.18 0.00 -2.02 0.00 0.00 63.50 61.77 2knb n PRO 37 Cb 0.53 -1.91 1.01 0.00 -0.02 0.00 0.00 33.50 33.11 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 5.42 1.24 0.00 3.55 0.00 -1.90 -1.25 119.26 126.32 2knb h ALA 38 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2knb h ALA 38 Cb 1.35 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2knb h ALA 38 CO 0.86 0.02 -0.38 0.38 0.00 0.00 0.00 179.25 180.13 2knb h ASP 39 N 0.00 0.00 0.67 0.00 2.03 -1.96 -3.22 116.42 113.94 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 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 2knb h ASP 39 CO 0.00 0.03 -0.61 0.00 -1.03 0.00 0.00 179.24 177.64 2knb n GLN 40 N -2.96 0.17 -3.00 4.15 6.02 -0.49 -4.87 117.38 116.40 2knb n GLN 40 Ca 0.02 0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.66 2knb n GLN 40 Cb 0.55 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 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 -3.68 4.53 0.14 1.08 1.43 -1.10 -0.47 118.68 120.63 2knb s LEU 41 Ca 0.08 1.55 0.11 0.00 -1.03 0.00 0.00 54.13 54.84 2knb s LEU 41 Cb 0.15 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 2knb s LEU 41 CO 0.72 0.14 -0.25 -0.13 0.23 0.00 0.00 176.35 177.05 2knb s ARG 42 N -0.71 1.40 -0.20 1.70 1.81 0.77 -4.89 118.95 118.83 2knb s ARG 42 Ca 0.37 -1.38 -0.01 0.00 -1.72 0.00 0.00 55.73 52.99 2knb s ARG 42 Cb -0.22 -1.82 0.01 0.00 -0.45 0.00 0.00 34.95 32.47 2knb s ARG 42 CO 0.25 0.42 -0.13 0.08 -0.68 0.00 0.00 175.30 175.23 2knb s VAL 43 N -1.25 2.56 -0.12 3.52 1.01 -1.26 -1.30 120.40 123.56 2knb s VAL 43 Ca 0.15 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2knb s VAL 43 Cb -0.09 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2knb s VAL 43 CO 0.07 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 174.76 2knb s ILE 44 N 1.35 2.06 -0.07 2.22 1.01 -0.08 -0.78 121.20 126.92 2knb s ILE 44 Ca 0.05 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 2knb s ILE 44 Cb -0.14 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.56 2knb s ILE 44 CO -0.09 0.56 -0.04 0.12 0.00 0.00 0.00 174.94 175.49 2knb s PHE 45 N 0.54 0.91 -1.46 3.97 5.36 0.97 -0.94 117.98 127.33 2knb s PHE 45 Ca -0.14 -0.32 -0.10 0.00 -0.96 0.00 0.00 56.93 55.41 2knb s PHE 45 Cb -0.17 -0.87 0.06 0.00 -0.34 0.00 0.00 43.02 41.70 2knb s PHE 45 CO 0.04 -0.32 0.95 0.00 -1.46 0.00 0.00 175.22 174.44 2knb n ALA 46 N 4.68 -1.46 -1.10 11.12 0.00 -1.26 -1.02 120.51 131.47 2knb n ALA 46 Ca -0.15 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 2knb n ALA 46 Cb 0.50 -4.06 -0.01 0.00 0.00 0.00 0.00 19.45 15.88 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 -1.70 0.63 2.98 0.00 0.00 -1.26 -5.01 105.19 100.82 2knb n GLY 47 Ca -0.04 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.64 1.70 -0.29 1.61 1.02 -0.19 -5.10 119.74 116.85 2knb s LYS 48 Ca 0.00 -0.37 -0.27 0.00 0.02 0.00 0.00 55.97 55.35 2knb s LYS 48 Cb 0.00 -1.56 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 2knb s LYS 48 CO 0.00 -0.11 0.96 -2.00 -0.92 0.00 0.00 175.35 173.27 2knb s GLU 49 N 1.16 4.10 0.18 1.68 2.12 -1.26 -0.02 118.70 126.66 2knb s GLU 49 Ca -0.05 0.99 -0.29 0.00 0.36 0.00 0.00 54.97 55.98 2knb s GLU 49 Cb -0.14 -3.70 -0.08 0.00 0.26 0.00 0.00 34.13 30.47 2knb s GLU 49 CO -0.02 -0.73 0.90 -0.51 -0.54 0.00 0.00 175.26 174.36 2knb s LEU 50 N 3.25 4.59 0.22 2.70 1.43 0.04 -4.99 118.68 125.93 2knb s LEU 50 Ca 0.40 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.02 2knb s LEU 50 Cb -0.14 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 2knb s LEU 50 CO 0.11 0.11 1.37 -1.10 0.23 0.00 0.00 176.35 177.07 2knb s GLN 51 N -0.84 4.34 0.48 1.70 -0.21 -1.26 -4.60 119.66 119.26 2knb s GLN 51 Ca 0.41 2.16 0.27 0.00 0.02 0.00 0.00 55.36 58.22 2knb s GLN 51 Cb -0.24 -3.16 1.33 0.00 1.00 0.00 0.00 33.01 31.94 2knb s GLN 51 CO 0.30 -0.33 1.81 -0.91 -2.12 0.00 0.00 175.29 174.04 2knb h ASN 52 N 5.30 0.20 -0.41 5.90 -0.26 -1.95 0.11 115.58 124.47 2knb h ASN 52 Ca -0.45 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.33 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 0.78 0.04 0.00 1.41 -1.06 0.00 0.00 177.43 178.60 2knb n HIS 53 N -4.40 0.54 -3.01 1.19 8.25 -1.26 -0.83 115.22 115.71 2knb n HIS 53 Ca 0.24 -0.27 -0.36 0.00 -0.26 0.00 0.00 57.72 57.07 2knb n HIS 53 Cb 1.01 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.06 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 -1.17 4.30 0.26 2.41 1.43 0.37 -4.82 118.68 121.46 2knb s LEU 54 Ca 0.33 1.53 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 2knb s LEU 54 Cb 0.18 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2knb s LEU 54 CO 0.24 -0.03 0.27 0.42 0.23 0.00 0.00 176.35 177.48 2knb s THR 55 N -1.62 4.55 0.14 5.49 -4.23 -1.26 -0.03 115.64 118.67 2knb s THR 55 Ca 0.47 -1.25 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 2knb s THR 55 Cb -0.16 -3.51 -0.00 0.00 1.34 0.00 0.00 72.50 70.16 2knb s THR 55 CO 0.21 -0.31 1.71 0.58 -0.54 0.00 0.00 174.62 176.27 2knb h VAL 56 N 1.33 0.80 0.00 2.29 2.07 -1.16 -1.42 116.25 120.16 2knb h VAL 56 Ca -0.49 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2knb h VAL 56 Cb 1.24 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2knb h VAL 56 CO 0.60 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.20 2knb n GLN 57 N -5.17 0.57 -0.26 1.57 10.64 -0.20 -2.45 117.38 122.09 2knb n GLN 57 Ca -0.01 0.03 0.08 0.00 -1.83 0.00 0.00 57.00 55.27 2knb n GLN 57 Cb 0.14 -1.50 0.22 0.00 -0.86 0.00 0.00 30.24 28.24 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 -1.10 3.35 -3.39 2.61 2.85 -0.54 -4.98 115.26 114.06 2knb n ASN 58 Ca 0.15 -2.01 -0.18 0.00 -0.11 0.00 0.00 54.58 52.43 2knb n ASN 58 Cb 0.11 -0.34 -0.07 0.00 1.24 0.00 0.00 39.78 40.72 2knb n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2knb n ASP 60 N -1.42 5.49 -4.79 0.00 5.75 -1.26 -4.85 116.55 115.46 2knb n ASP 60 Ca 0.05 -2.59 -0.36 0.00 -0.01 0.00 0.00 54.79 51.89 2knb n ASP 60 Cb 0.62 -1.06 -0.07 0.00 -1.03 0.00 0.00 41.12 39.58 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 -0.58 4.29 0.00 -2.12 1.43 -1.26 -5.08 118.68 115.37 2knb s LEU 61 Ca 0.10 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2knb s LEU 61 Cb 0.08 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.16 2knb s LEU 61 CO 0.00 0.26 0.00 -1.84 0.23 0.00 0.00 176.35 175.00 2knb n GLU 62 N 2.88 0.29 -2.62 1.70 0.28 -1.26 -4.74 120.64 117.18 2knb n GLU 62 Ca -0.17 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.45 2knb n GLU 62 Cb 0.53 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.35 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 -0.74 4.55 -0.03 3.44 0.74 -1.26 -3.23 119.66 123.13 2knb s GLN 63 Ca 0.00 1.56 0.00 0.00 0.05 0.00 0.00 55.36 56.97 2knb s GLN 63 Cb 0.00 -2.95 0.00 0.00 1.10 0.00 0.00 33.01 31.16 2knb s GLN 63 CO 0.00 0.20 0.00 1.04 -0.55 0.00 0.00 175.29 175.98 2knb n GLN 64 N 0.79 -0.59 -2.58 1.67 3.00 0.60 -5.00 117.38 115.27 2knb n GLN 64 Ca 0.01 0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.77 2knb n GLN 64 Cb 0.48 -3.63 -0.04 0.00 0.00 0.00 0.00 30.24 27.04 2knb n GLN 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2knb s SER 65 N -2.04 7.37 -0.18 1.08 0.01 -1.20 -4.73 113.70 114.02 2knb s SER 65 Ca 0.00 2.06 -0.10 0.00 1.31 0.00 0.00 55.95 59.22 2knb s SER 65 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2knb s SER 65 CO 0.00 -0.11 0.16 -0.51 0.41 0.00 0.00 173.24 173.18 2knb s ILE 66 N -0.56 5.41 0.12 1.44 1.10 -1.26 -0.52 121.20 126.92 2knb s ILE 66 Ca 0.46 0.25 0.08 0.00 -0.51 0.00 0.00 60.65 60.93 2knb s ILE 66 Cb -0.28 -3.48 -0.04 0.00 0.15 0.00 0.00 42.46 38.81 2knb s ILE 66 CO 0.35 0.47 -0.19 0.68 -2.11 0.00 0.00 174.94 174.14 2knb s VAL 67 N 0.09 1.67 -0.31 4.00 -7.23 0.38 -4.72 120.40 114.29 2knb s VAL 67 Ca 0.11 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2knb s VAL 67 Cb -0.12 -1.60 0.06 0.00 0.56 0.00 0.00 36.38 35.29 2knb s VAL 67 CO 0.00 -0.17 0.01 -2.28 -0.31 0.00 0.00 175.10 172.35 2knb s HIS 68 N -1.48 3.33 -0.42 2.82 2.46 -0.12 -1.16 115.29 120.73 2knb s HIS 68 Ca 0.08 -2.09 -0.13 0.00 0.47 0.00 0.00 55.06 53.39 2knb s HIS 68 Cb -0.08 -2.25 0.04 0.00 -0.13 0.00 0.00 32.58 30.15 2knb s HIS 68 CO 0.05 -0.85 0.29 0.42 -2.47 0.00 0.00 174.74 172.18 2knb s ILE 69 N 1.19 4.96 0.13 0.89 1.01 0.11 -0.90 121.20 128.58 2knb s ILE 69 Ca -0.03 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 59.82 2knb s ILE 69 Cb -0.20 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2knb s ILE 69 CO -0.03 -0.38 -0.23 0.68 0.00 0.00 0.00 174.94 174.98 2knb s VAL 70 N 1.61 2.01 -0.11 2.92 -7.23 -0.42 -3.95 120.40 115.22 2knb s VAL 70 Ca 0.04 -1.72 -0.26 0.00 -1.81 0.00 0.00 61.98 58.22 2knb s VAL 70 Cb -0.21 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 2knb s VAL 70 CO 0.07 -0.03 0.87 -1.58 -0.31 0.00 0.00 175.10 174.12 2knb s GLN 71 N -2.14 4.38 -0.40 4.82 0.74 -1.26 -0.16 119.66 125.64 2knb s GLN 71 Ca 0.12 1.13 -0.14 0.00 0.05 0.00 0.00 55.36 56.51 2knb s GLN 71 Cb -0.09 -3.53 0.02 0.00 1.10 0.00 0.00 33.01 30.51 2knb s GLN 71 CO 0.06 -0.22 0.29 0.50 -0.55 0.00 0.00 175.29 175.37 2knb s ARG 72 N 1.73 2.94 0.63 1.67 3.52 0.39 -4.93 118.95 124.90 2knb s ARG 72 Ca 0.42 -1.03 -0.17 0.00 -0.13 0.00 0.00 55.73 54.82 2knb s ARG 72 Cb -0.18 -3.94 -0.01 0.00 -1.56 0.00 0.00 34.95 29.26 2knb s ARG 72 CO 0.17 -0.74 1.15 -1.25 -0.81 0.00 0.00 175.30 173.81 2knb s PRO 73 N 1.66 2.85 -0.05 5.12 0.04 -1.26 -4.81 135.00 138.54 2knb s PRO 73 Ca 0.05 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2knb s PRO 73 Cb -0.19 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.43 2knb s PRO 73 CO 0.09 -1.25 -0.09 -0.65 0.04 0.00 0.00 177.00 175.15 2knb s GLN 74 N -3.73 1.28 -0.88 4.56 -1.52 -1.26 -5.07 119.66 113.04 2knb s GLN 74 Ca 0.72 -0.27 -0.25 0.00 -1.95 0.00 0.00 55.36 53.61 2knb s GLN 74 Cb -0.25 -1.12 -0.05 0.00 -0.22 0.00 0.00 33.01 31.37 2knb s GLN 74 CO 0.37 -0.01 1.95 1.03 -0.25 0.00 0.00 175.29 178.37 2knb s ARG 75 N 0.74 2.55 0.00 2.91 1.81 -1.26 -5.26 118.95 120.44 2knb s ARG 75 Ca -0.13 -0.21 0.27 0.00 -1.72 0.00 0.00 55.73 53.94 2knb s ARG 75 Cb -0.15 -5.01 0.81 0.00 -0.45 0.00 0.00 34.95 30.16 2knb s ARG 75 CO 0.02 -3.34 1.61 1.63 -0.68 0.00 0.00 175.30 174.54