#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 4.56 -0.00 2.02 -1.09 -1.26 -0.65 121.20 124.78 2knb s ILE 2 Ca 0.00 -0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.35 2knb s ILE 2 Cb 0.00 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.82 2knb s ILE 2 CO 0.00 0.46 -0.15 0.68 -1.23 0.00 0.00 174.94 174.71 2knb s VAL 3 N 0.43 1.15 -0.38 2.92 -7.23 -0.71 -0.64 120.40 115.94 2knb s VAL 3 Ca 0.01 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 59.34 2knb s VAL 3 Cb -0.13 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.84 2knb s VAL 3 CO 0.01 0.27 0.30 -0.36 -0.31 0.00 0.00 175.10 175.01 2knb s PHE 4 N -0.44 3.22 -0.21 2.82 0.08 0.12 -0.14 117.98 123.44 2knb s PHE 4 Ca 0.05 -0.38 -0.13 0.00 0.12 0.00 0.00 56.93 56.59 2knb s PHE 4 Cb -0.06 -2.60 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 2knb s PHE 4 CO -0.00 -0.51 0.25 0.08 -0.10 0.00 0.00 175.22 174.93 2knb s VAL 5 N 1.79 5.31 -0.25 -0.44 1.01 -0.45 -0.16 120.40 127.21 2knb s VAL 5 Ca 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2knb s VAL 5 Cb -0.18 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2knb s VAL 5 CO 0.11 0.33 -0.06 -0.60 0.00 0.00 0.00 175.10 174.88 2knb s ARG 6 N 0.97 2.82 -0.74 2.72 3.52 -0.03 -1.44 118.95 126.78 2knb s ARG 6 Ca 0.12 -0.98 -0.08 0.00 -0.13 0.00 0.00 55.73 54.66 2knb s ARG 6 Cb -0.14 -2.97 0.19 0.00 -1.56 0.00 0.00 34.95 30.47 2knb s ARG 6 CO 0.05 -0.40 0.61 0.12 -0.81 0.00 0.00 175.30 174.87 2knb s PHE 7 N 1.32 3.60 -1.22 5.12 5.36 -1.26 -0.12 117.98 130.78 2knb s PHE 7 Ca 0.00 -2.43 -0.25 0.00 -0.96 0.00 0.00 56.93 53.29 2knb s PHE 7 Cb -0.17 -3.48 0.02 0.00 -0.34 0.00 0.00 43.02 39.06 2knb s PHE 7 CO -0.05 -0.90 0.67 -1.71 -1.46 0.00 0.00 175.22 171.77 2knb n ASN 8 N 3.59 -4.04 -3.29 6.13 5.15 -1.25 -4.95 115.26 116.61 2knb n ASN 8 Ca 0.12 -1.17 -0.13 0.00 -0.60 0.00 0.00 54.58 52.80 2knb n ASN 8 Cb 0.42 -2.42 -0.03 0.00 -0.53 0.00 0.00 39.78 37.21 2knb n ASN 8 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2knb s SER 9 N -3.61 0.63 -0.08 1.20 0.15 -1.26 -5.03 113.70 105.68 2knb s SER 9 Ca 0.43 -1.36 0.17 0.00 0.70 0.00 0.00 55.95 55.89 2knb s SER 9 Cb -0.20 0.68 0.65 0.00 -1.71 0.00 0.00 66.02 65.45 2knb s SER 9 CO 0.93 -1.34 1.54 -1.20 1.20 0.00 0.00 173.24 174.37 2knb n SER 10 N -1.27 4.24 -3.63 5.45 7.64 -1.26 -4.94 113.62 119.85 2knb n SER 10 Ca -0.01 -2.33 -0.11 0.00 1.01 0.00 0.00 58.87 57.43 2knb n SER 10 Cb 0.61 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2knb n SER 10 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2knb s TYR 11 N -1.68 0.55 0.08 1.43 -0.85 -1.26 -5.19 117.35 110.42 2knb s TYR 11 Ca 0.46 -0.91 -0.03 0.00 -0.52 0.00 0.00 57.07 56.08 2knb s TYR 11 Cb 0.29 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 2knb s TYR 11 CO 0.24 -1.11 0.04 0.20 -1.52 0.00 0.00 175.55 173.40 2knb s GLY 12 N -3.09 0.49 -0.07 5.49 0.00 -1.26 -4.49 107.32 104.39 2knb s GLY 12 Ca 0.24 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.87 2knb s GLY 12 CO 0.13 -1.21 -0.19 -0.11 0.00 0.00 0.00 173.10 171.72 2knb s PHE 13 N -3.93 2.61 -0.04 1.90 -0.71 -0.52 -4.84 117.98 112.44 2knb s PHE 13 Ca 0.10 -0.53 -0.30 0.00 -1.04 0.00 0.00 56.93 55.16 2knb s PHE 13 Cb 0.07 -1.66 -0.03 0.00 -1.21 0.00 0.00 43.02 40.18 2knb s PHE 13 CO -0.08 -0.09 1.16 -2.14 -1.34 0.00 0.00 175.22 172.74 2knb s PRO 14 N -0.22 4.39 -0.02 1.99 0.02 -1.26 -1.33 135.00 138.57 2knb s PRO 14 Ca -0.01 1.64 0.04 0.00 0.02 0.00 0.00 61.00 62.70 2knb s PRO 14 Cb -0.13 -3.52 -0.03 0.00 0.02 0.00 0.00 34.50 30.84 2knb s PRO 14 CO 0.03 -0.38 -0.13 0.08 -0.33 0.00 0.00 177.00 176.27 2knb s VAL 15 N 1.93 3.15 -0.35 3.83 1.01 0.80 -4.90 120.40 125.86 2knb s VAL 15 Ca 0.55 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 2knb s VAL 15 Cb -0.24 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2knb s VAL 15 CO 0.23 0.50 0.56 -0.70 0.00 0.00 0.00 175.10 175.69 2knb s GLU 16 N -1.03 3.65 0.39 2.72 2.56 -1.26 -1.73 118.70 124.00 2knb s GLU 16 Ca 0.13 -0.07 0.05 0.00 0.00 0.00 0.00 54.97 55.08 2knb s GLU 16 Cb -0.11 -3.81 -0.02 0.00 2.00 0.00 0.00 34.13 32.19 2knb s GLU 16 CO 0.03 -0.67 0.17 0.14 -0.56 0.00 0.00 175.26 174.37 2knb s VAL 17 N 2.51 0.41 0.39 3.70 -7.23 0.17 -4.92 120.40 115.42 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 -0.15 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2knb s VAL 17 CO 0.14 0.00 0.10 1.51 -0.31 0.00 0.00 175.10 176.53 2knb s ASP 18 N -3.55 2.74 0.46 4.85 -4.77 -1.26 0.25 116.67 115.39 2knb s ASP 18 Ca 0.28 -1.57 0.19 0.00 -3.30 0.00 0.00 52.55 48.14 2knb s ASP 18 Cb 0.02 0.31 1.10 0.00 -1.09 0.00 0.00 42.92 43.26 2knb s ASP 18 CO 0.18 -0.82 1.98 0.28 0.70 0.00 0.00 175.17 177.50 2knb h SER 19 N 1.87 0.00 -0.04 2.11 0.02 -1.98 -2.19 113.55 113.33 2knb h SER 19 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2knb h SER 19 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2knb h SER 19 CO 0.62 0.20 0.00 0.47 -1.14 0.00 0.00 176.83 176.98 2knb n ASP 20 N -4.04 1.27 -4.73 3.07 9.92 -1.26 -2.04 116.55 118.75 2knb n ASP 20 Ca -0.02 -1.46 -0.41 0.00 -0.53 0.00 0.00 54.79 52.36 2knb n ASP 20 Cb 0.28 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.71 2knb n ASP 20 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2knb s THR 21 N -1.96 3.09 0.30 -3.53 2.01 -0.83 -4.82 115.64 109.90 2knb s THR 21 Ca 0.38 0.88 -0.14 0.00 0.31 0.00 0.00 61.69 63.12 2knb s THR 21 Cb 0.20 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 2knb s THR 21 CO 0.32 0.12 0.70 -0.44 -0.69 0.00 0.00 174.62 174.63 2knb s SER 22 N 0.48 6.75 0.19 3.53 0.01 -1.26 -1.39 113.70 122.02 2knb s SER 22 Ca 0.59 1.21 -0.12 0.00 1.31 0.00 0.00 55.95 58.94 2knb s SER 22 Cb -0.38 -2.34 0.13 0.00 0.21 0.00 0.00 66.02 63.64 2knb s SER 22 CO 0.38 -0.17 1.85 0.40 0.41 0.00 0.00 173.24 176.11 2knb h ILE 23 N 2.00 1.13 -0.99 1.44 1.08 -0.94 -2.23 117.51 118.99 2knb h ILE 23 Ca -0.48 -0.29 0.08 0.00 -0.39 0.00 0.00 64.86 63.79 2knb h ILE 23 Cb 1.17 0.22 -0.07 0.00 -3.07 0.00 0.00 36.82 35.08 2knb h ILE 23 CO 0.66 0.15 0.64 0.15 -0.69 0.00 0.00 178.15 179.06 2knb h PHE 24 N 0.83 1.17 -0.33 1.37 3.57 -1.29 -2.07 116.94 120.20 2knb h PHE 24 Ca 0.25 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2knb h PHE 24 Cb -0.05 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 2knb h PHE 24 CO -0.04 0.58 0.17 1.96 -2.23 0.00 0.00 178.31 178.74 2knb h GLN 25 N 1.12 0.47 -0.39 1.11 4.20 -1.70 -1.78 115.11 118.15 2knb h GLN 25 Ca 0.44 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 59.16 2knb h GLN 25 Cb 0.24 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2knb h GLN 25 CO -0.19 0.42 0.27 1.25 -0.67 0.00 0.00 178.83 179.90 2knb h LEU 26 N 0.40 0.19 -0.23 1.46 5.85 -1.04 -1.54 115.31 120.40 2knb h LEU 26 Ca 0.11 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2knb h LEU 26 Cb 0.10 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2knb h LEU 26 CO -0.02 0.12 -0.21 0.11 -0.34 0.00 0.00 178.44 178.10 2knb h LYS 27 N 0.21 0.54 -0.14 1.25 1.57 -0.70 -2.95 116.57 116.36 2knb h LYS 27 Ca 0.17 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2knb h LYS 27 Cb 0.42 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2knb h LYS 27 CO -0.03 0.87 0.10 0.93 -0.57 0.00 0.00 179.45 180.74 2knb h GLU 28 N 0.24 0.04 -0.76 3.15 5.08 -0.51 0.67 114.58 122.49 2knb h GLU 28 Ca 0.04 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2knb h GLU 28 Cb 0.76 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2knb h GLU 28 CO 0.05 0.03 0.48 0.28 -1.00 0.00 0.00 179.01 178.85 2knb h VAL 29 N 0.04 1.11 0.01 3.13 2.07 -1.25 -1.79 116.25 119.57 2knb h VAL 29 Ca 0.06 -0.32 -0.24 0.00 0.82 0.00 0.00 66.70 67.02 2knb h VAL 29 Cb 0.21 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 2knb h VAL 29 CO -0.00 0.17 -1.28 0.58 0.02 0.00 0.00 177.57 177.06 2knb h VAL 30 N 0.94 1.38 -0.57 2.57 2.07 -1.35 -3.29 116.25 118.01 2knb h VAL 30 Ca 0.30 -3.13 0.06 0.00 0.82 0.00 0.00 66.70 64.75 2knb h VAL 30 Cb 0.01 2.70 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 2knb h VAL 30 CO -0.11 0.80 0.26 0.00 0.02 0.00 0.00 177.57 178.54 2knb h ALA 31 N 0.96 0.74 0.00 1.67 0.00 -0.41 -0.28 119.26 121.93 2knb h ALA 31 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2knb h ALA 31 Cb 1.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2knb h ALA 31 CO 0.12 -0.11 0.00 1.57 0.00 0.00 0.00 179.25 180.83 2knb h LYS 32 N 0.49 0.00 0.12 0.00 2.10 -1.46 0.92 116.57 118.75 2knb h LYS 32 Ca 0.27 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.60 2knb h LYS 32 Cb 0.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2knb h LYS 32 CO -0.21 0.00 -1.57 -0.09 -2.00 0.00 0.00 179.45 175.57 2knb h ARG 33 N 0.00 0.26 0.00 0.07 2.43 -1.18 -3.37 114.38 112.59 2knb h ARG 33 Ca 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2knb h ARG 33 Cb 0.64 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2knb h ARG 33 CO 0.00 1.12 -1.40 1.04 -1.51 0.00 0.00 179.97 179.21 2knb n GLN 34 N -3.45 0.65 -2.60 0.20 1.13 -0.33 -5.00 117.38 107.98 2knb n GLN 34 Ca -0.18 -0.09 -0.04 0.00 -1.94 0.00 0.00 57.00 54.75 2knb n GLN 34 Cb 1.05 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 29.98 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 1.42 0.63 2.96 1.08 0.00 0.27 -5.06 105.19 106.49 2knb n GLY 35 Ca -0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.06 1.02 -0.18 1.61 1.01 -0.89 -5.05 120.40 114.86 2knb s VAL 36 Ca 0.08 -0.36 -0.41 0.00 0.00 0.00 0.00 61.98 61.29 2knb s VAL 36 Cb -0.04 -0.98 -0.18 0.00 0.00 0.00 0.00 36.38 35.19 2knb s VAL 36 CO 0.12 0.34 1.49 -2.65 0.00 0.00 0.00 175.10 174.41 2knb n PRO 37 N 4.25 0.72 0.29 2.72 -0.02 -1.26 -4.44 135.00 137.26 2knb n PRO 37 Ca -0.19 0.26 0.19 0.00 -2.02 0.00 0.00 63.50 61.73 2knb n PRO 37 Cb 0.51 -1.86 1.00 0.00 -0.02 0.00 0.00 33.50 33.12 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 1.37 -0.51 3.55 0.00 -1.91 -1.46 119.26 125.62 2knb h ALA 38 Ca -0.47 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2knb h ALA 38 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2knb h ALA 38 CO 0.86 -0.13 0.02 -0.44 0.00 0.00 0.00 179.25 179.56 2knb h ASP 39 N 0.00 0.80 1.42 0.00 5.19 -1.97 -2.78 116.42 119.07 2knb h ASP 39 Ca 0.02 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2knb h ASP 39 Cb 0.24 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2knb h ASP 39 CO -0.00 0.85 -0.21 1.56 -3.12 0.00 0.00 179.24 178.32 2knb h GLN 40 N 0.78 0.00 -6.84 3.56 4.20 -1.59 -3.46 115.11 111.76 2knb h GLN 40 Ca 0.15 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.38 2knb h GLN 40 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2knb h GLN 40 CO 0.02 0.00 0.39 -0.51 -0.67 0.00 0.00 178.83 178.06 2knb s LEU 41 N -4.88 4.45 0.13 1.46 1.43 -1.05 -0.57 118.68 119.65 2knb s LEU 41 Ca 0.08 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.27 2knb s LEU 41 Cb 0.11 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 2knb s LEU 41 CO 0.65 -0.09 -0.20 -0.13 0.23 0.00 0.00 176.35 176.81 2knb s ARG 42 N -1.72 1.20 -0.19 1.70 1.81 0.65 -4.89 118.95 117.50 2knb s ARG 42 Ca 0.47 -1.27 -0.00 0.00 -1.72 0.00 0.00 55.73 53.21 2knb s ARG 42 Cb -0.25 -1.38 0.01 0.00 -0.45 0.00 0.00 34.95 32.89 2knb s ARG 42 CO 0.31 0.30 -0.16 0.08 -0.68 0.00 0.00 175.30 175.16 2knb s VAL 43 N -1.54 2.41 -0.16 3.52 1.01 -1.26 -2.12 120.40 122.26 2knb s VAL 43 Ca 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2knb s VAL 43 Cb -0.08 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2knb s VAL 43 CO 0.05 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 174.87 2knb s ILE 44 N 1.34 2.52 -0.25 2.22 1.01 0.59 -1.11 121.20 127.52 2knb s ILE 44 Ca 0.05 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2knb s ILE 44 Cb -0.13 -2.06 0.05 0.00 0.01 0.00 0.00 42.46 40.33 2knb s ILE 44 CO -0.10 0.52 -0.11 0.12 0.00 0.00 0.00 174.94 175.36 2knb s PHE 45 N 0.93 3.20 -1.48 3.97 5.36 0.12 -0.73 117.98 129.35 2knb s PHE 45 Ca -0.03 -2.17 -0.12 0.00 -0.96 0.00 0.00 56.93 53.65 2knb s PHE 45 Cb -0.15 -1.95 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 2knb s PHE 45 CO -0.02 -0.86 1.01 0.00 -1.46 0.00 0.00 175.22 173.89 2knb n ALA 46 N 4.48 -1.36 -0.92 11.12 0.00 -1.26 -0.52 120.51 132.05 2knb n ALA 46 Ca -0.15 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2knb n ALA 46 Cb 0.43 -4.49 0.00 0.00 0.00 0.00 0.00 19.45 15.39 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 -1.75 0.89 3.42 0.00 0.00 -1.26 -5.01 105.19 101.49 2knb n GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.08 3.43 -0.30 1.61 1.02 0.33 -5.06 119.74 120.69 2knb s LYS 48 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 2knb s LYS 48 Cb 0.00 -3.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2knb s LYS 48 CO 0.00 -0.32 1.19 -1.21 -0.92 0.00 0.00 175.35 174.09 2knb s GLU 49 N 1.59 4.01 0.02 1.68 2.02 -1.26 0.15 118.70 126.91 2knb s GLU 49 Ca 0.05 1.18 -0.28 0.00 0.02 0.00 0.00 54.97 55.94 2knb s GLU 49 Cb -0.16 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 2knb s GLU 49 CO 0.04 -0.99 0.88 -0.51 0.02 0.00 0.00 175.26 174.70 2knb s LEU 50 N 3.97 4.41 0.10 1.80 1.43 -0.26 -4.98 118.68 125.14 2knb s LEU 50 Ca 0.51 1.56 -0.31 0.00 -1.03 0.00 0.00 54.13 54.86 2knb s LEU 50 Cb -0.15 -3.41 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 2knb s LEU 50 CO 0.19 -0.13 1.79 -1.10 0.23 0.00 0.00 176.35 177.34 2knb s GLN 51 N 0.49 4.15 0.62 1.70 -1.52 -1.26 -4.62 119.66 119.22 2knb s GLN 51 Ca 0.45 2.53 0.37 0.00 -1.95 0.00 0.00 55.36 56.76 2knb s GLN 51 Cb -0.21 -3.64 2.03 0.00 -0.22 0.00 0.00 33.01 30.98 2knb s GLN 51 CO 0.26 -0.83 2.14 -0.91 -0.25 0.00 0.00 175.29 175.70 2knb h ASN 52 N 8.68 0.00 0.03 5.90 -0.26 -1.94 -0.45 115.58 127.55 2knb h ASN 52 Ca -0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.29 2knb h ASN 52 Cb 1.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 2knb h ASN 52 CO 0.94 0.00 -0.13 1.57 -1.06 0.00 0.00 177.43 178.76 2knb n HIS 53 N -2.90 0.00 -2.25 1.19 -0.00 -1.26 -0.93 115.22 109.07 2knb n HIS 53 Ca -0.02 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.90 2knb n HIS 53 Cb 0.16 -0.03 0.07 0.00 -0.12 0.00 0.00 29.99 30.07 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 -2.18 2.86 0.36 0.27 1.43 -0.18 -4.84 118.68 116.40 2knb s LEU 54 Ca 0.30 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2knb s LEU 54 Cb 0.20 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 2knb s LEU 54 CO 0.40 -1.64 0.05 0.42 0.23 0.00 0.00 176.35 175.81 2knb s THR 55 N -3.23 2.50 0.20 5.49 -4.23 -1.26 -0.60 115.64 114.51 2knb s THR 55 Ca 0.61 -1.90 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 2knb s THR 55 Cb -0.10 -2.87 0.13 0.00 1.34 0.00 0.00 72.50 71.01 2knb s THR 55 CO 0.45 -0.13 1.77 0.58 -0.54 0.00 0.00 174.62 176.74 2knb h VAL 56 N 1.71 0.87 0.00 2.29 2.07 -1.17 -0.06 116.25 121.96 2knb h VAL 56 Ca -0.43 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2knb h VAL 56 Cb 1.25 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2knb h VAL 56 CO 0.69 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.37 2knb n GLN 57 N -4.91 0.47 -0.63 1.57 10.64 -0.86 -3.05 117.38 120.61 2knb n GLN 57 Ca 0.08 0.04 0.01 0.00 -1.83 0.00 0.00 57.00 55.30 2knb n GLN 57 Cb 0.22 -1.50 0.21 0.00 -0.86 0.00 0.00 30.24 28.32 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 -1.22 2.89 0.00 2.61 2.85 -0.05 -5.00 115.26 117.35 2knb n ASN 58 Ca 0.14 -3.48 0.00 0.00 -0.11 0.00 0.00 54.58 51.12 2knb n ASN 58 Cb 0.17 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.60 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 0.00 4.15 -4.81 0.00 2.03 -1.26 -4.99 116.55 111.66 2knb n ASP 60 Ca 0.00 -3.23 -0.38 0.00 0.52 0.00 0.00 54.79 51.70 2knb n ASP 60 Cb 0.00 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 39.69 2knb n ASP 60 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2knb s LEU 61 N -2.97 4.42 0.00 -2.67 1.43 -1.26 -5.08 118.68 112.56 2knb s LEU 61 Ca 0.49 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 2knb s LEU 61 Cb 0.40 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2knb s LEU 61 CO 0.10 0.27 0.18 -1.84 0.23 0.00 0.00 176.35 175.28 2knb n GLU 62 N 2.24 0.35 -1.85 1.70 0.28 -1.26 -4.78 120.64 117.32 2knb n GLU 62 Ca -0.13 -2.31 -0.42 0.00 -0.16 0.00 0.00 57.16 54.14 2knb n GLU 62 Cb 0.52 1.79 -0.03 0.00 1.43 0.00 0.00 31.44 35.15 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 -2.96 4.18 -0.75 3.44 2.00 -1.26 -2.55 119.66 121.76 2knb s GLN 63 Ca 0.25 2.46 -0.04 0.00 -2.00 0.00 0.00 55.36 56.03 2knb s GLN 63 Cb 0.01 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 30.60 2knb s GLN 63 CO 0.18 -0.69 0.57 1.04 -0.50 0.00 0.00 175.29 175.88 2knb n GLN 64 N 4.34 -3.90 -3.31 1.67 6.02 0.19 -4.99 117.38 117.40 2knb n GLN 64 Ca 0.15 0.45 -0.35 0.00 -0.01 0.00 0.00 57.00 57.25 2knb n GLN 64 Cb 0.38 -4.34 -0.06 0.00 1.02 0.00 0.00 30.24 27.24 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 -3.10 6.82 -0.12 1.08 0.01 -1.06 -4.87 113.70 112.46 2knb s SER 65 Ca 0.28 1.12 -0.02 0.00 1.31 0.00 0.00 55.95 58.64 2knb s SER 65 Cb -0.12 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2knb s SER 65 CO 0.35 0.03 -0.05 -0.51 0.41 0.00 0.00 173.24 173.47 2knb s ILE 66 N -1.58 3.83 0.09 1.44 2.07 -1.26 0.16 121.20 125.94 2knb s ILE 66 Ca 0.42 -0.40 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 2knb s ILE 66 Cb -0.14 -2.63 -0.03 0.00 0.13 0.00 0.00 42.46 39.78 2knb s ILE 66 CO 0.20 0.54 -0.13 0.68 -1.91 0.00 0.00 174.94 174.31 2knb s VAL 67 N -0.14 1.12 -0.24 4.00 -7.23 0.78 -4.64 120.40 114.05 2knb s VAL 67 Ca 0.02 -1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2knb s VAL 67 Cb -0.13 -1.25 -0.00 0.00 0.56 0.00 0.00 36.38 35.56 2knb s VAL 67 CO 0.03 -0.35 -0.01 -2.28 -0.31 0.00 0.00 175.10 172.18 2knb s HIS 68 N -1.75 3.02 -0.23 2.82 2.46 0.09 -0.85 115.29 120.84 2knb s HIS 68 Ca 0.02 -0.95 -0.02 0.00 0.47 0.00 0.00 55.06 54.58 2knb s HIS 68 Cb -0.07 -2.14 0.01 0.00 -0.13 0.00 0.00 32.58 30.25 2knb s HIS 68 CO 0.02 -0.55 -0.07 0.42 -2.47 0.00 0.00 174.74 172.09 2knb s ILE 69 N 1.48 2.98 0.10 0.89 1.01 0.83 -0.30 121.20 128.18 2knb s ILE 69 Ca 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2knb s ILE 69 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2knb s ILE 69 CO -0.02 0.30 -0.08 0.68 0.00 0.00 0.00 174.94 175.83 2knb s VAL 70 N 1.38 0.77 -0.17 2.92 -7.23 -0.90 -3.77 120.40 113.40 2knb s VAL 70 Ca 0.03 -1.86 -0.22 0.00 -1.81 0.00 0.00 61.98 58.12 2knb s VAL 70 Cb -0.15 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2knb s VAL 70 CO -0.05 -0.79 0.67 -1.58 -0.31 0.00 0.00 175.10 173.05 2knb s GLN 71 N -3.55 4.27 -0.34 4.82 0.74 -1.26 -0.25 119.66 124.09 2knb s GLN 71 Ca 0.10 0.73 -0.16 0.00 0.05 0.00 0.00 55.36 56.08 2knb s GLN 71 Cb 0.03 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 2knb s GLN 71 CO -0.03 -0.18 0.42 0.50 -0.55 0.00 0.00 175.29 175.45 2knb s ARG 72 N 1.70 3.61 0.35 1.67 3.52 0.27 -4.96 118.95 125.11 2knb s ARG 72 Ca 0.32 -0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 55.36 2knb s ARG 72 Cb -0.16 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.34 2knb s ARG 72 CO 0.12 -0.56 1.20 -1.25 -0.81 0.00 0.00 175.30 174.00 2knb s PRO 73 N 2.17 4.28 -0.30 5.12 0.04 -1.26 -4.85 135.00 140.21 2knb s PRO 73 Ca 0.15 1.96 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 2knb s PRO 73 Cb -0.16 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 2knb s PRO 73 CO 0.12 -0.16 0.12 -0.65 0.04 0.00 0.00 177.00 176.47 2knb s GLN 74 N -1.94 3.33 -0.35 4.56 -0.21 -1.26 -5.06 119.66 118.73 2knb s GLN 74 Ca 0.52 -0.71 -0.06 0.00 0.02 0.00 0.00 55.36 55.12 2knb s GLN 74 Cb -0.34 -3.48 0.05 0.00 1.00 0.00 0.00 33.01 30.24 2knb s GLN 74 CO 0.44 -0.39 0.13 0.50 -2.12 0.00 0.00 175.29 173.86 2knb s ARG 75 N 1.59 2.57 0.00 2.91 3.52 -1.26 -5.29 118.95 122.99 2knb s ARG 75 Ca 0.04 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 54.38 2knb s ARG 75 Cb -0.17 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 2knb s ARG 75 CO 0.05 -0.74 0.00 1.17 -0.81 0.00 0.00 175.30 174.97