#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 5.34 0.08 2.02 -1.09 -1.26 0.54 121.20 126.83 2knb s ILE 2 Ca 0.00 0.43 0.07 0.00 -2.23 0.00 0.00 60.65 58.92 2knb s ILE 2 Cb 0.00 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2knb s ILE 2 CO 0.00 0.41 -0.18 0.68 -1.23 0.00 0.00 174.94 174.62 2knb s VAL 3 N 0.37 1.49 -0.32 2.92 -7.23 0.15 0.39 120.40 118.17 2knb s VAL 3 Ca 0.14 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 2knb s VAL 3 Cb -0.12 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 2knb s VAL 3 CO 0.02 -0.04 0.20 -0.36 -0.31 0.00 0.00 175.10 174.61 2knb s PHE 4 N -1.07 3.21 -0.24 2.82 0.08 0.53 0.40 117.98 123.70 2knb s PHE 4 Ca 0.04 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 2knb s PHE 4 Cb -0.09 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 2knb s PHE 4 CO 0.03 -0.38 0.22 0.08 -0.10 0.00 0.00 175.22 175.07 2knb s VAL 5 N 1.68 5.31 -0.18 -0.44 1.01 -0.05 -0.31 120.40 127.42 2knb s VAL 5 Ca 0.06 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 2knb s VAL 5 Cb -0.17 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 2knb s VAL 5 CO 0.09 0.30 -0.12 -0.60 0.00 0.00 0.00 175.10 174.77 2knb s ARG 6 N 1.27 3.26 -0.60 2.72 3.52 -0.20 -1.43 118.95 127.49 2knb s ARG 6 Ca 0.10 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 54.98 2knb s ARG 6 Cb -0.14 -2.76 0.15 0.00 -1.56 0.00 0.00 34.95 30.64 2knb s ARG 6 CO 0.06 -0.08 0.40 0.12 -0.81 0.00 0.00 175.30 175.00 2knb s PHE 7 N 1.08 3.36 -1.71 5.12 5.36 -1.26 0.29 117.98 130.22 2knb s PHE 7 Ca 0.00 -2.83 -0.17 0.00 -0.96 0.00 0.00 56.93 52.97 2knb s PHE 7 Cb -0.15 -3.11 0.15 0.00 -0.34 0.00 0.00 43.02 39.58 2knb s PHE 7 CO -0.03 -0.82 0.66 -1.71 -1.46 0.00 0.00 175.22 171.86 2knb n ASN 8 N 3.39 -2.40 -3.83 6.13 5.15 -1.26 -4.91 115.26 117.53 2knb n ASN 8 Ca 0.07 -1.08 -0.15 0.00 -0.60 0.00 0.00 54.58 52.82 2knb n ASN 8 Cb 0.37 -2.44 -0.09 0.00 -0.53 0.00 0.00 39.78 37.09 2knb n ASN 8 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2knb s SER 9 N -3.46 0.74 -0.06 1.20 0.01 -1.26 -5.04 113.70 105.83 2knb s SER 9 Ca 0.65 -1.51 0.08 0.00 1.31 0.00 0.00 55.95 56.47 2knb s SER 9 Cb -0.36 0.47 0.33 0.00 0.21 0.00 0.00 66.02 66.67 2knb s SER 9 CO 0.95 -0.96 1.12 -1.54 0.41 0.00 0.00 173.24 173.22 2knb n SER 10 N -0.80 2.52 -3.94 2.44 3.41 -1.26 -4.90 113.62 111.09 2knb n SER 10 Ca 0.04 -2.24 -0.13 0.00 -0.26 0.00 0.00 58.87 56.28 2knb n SER 10 Cb 0.64 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 2knb n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2knb s TYR 11 N -1.69 1.05 -0.06 7.33 1.13 -1.26 -5.18 117.35 118.68 2knb s TYR 11 Ca 0.23 -1.26 -0.10 0.00 -1.41 0.00 0.00 57.07 54.52 2knb s TYR 11 Cb 0.15 -0.36 0.02 0.00 -1.10 0.00 0.00 41.96 40.67 2knb s TYR 11 CO 0.10 -0.80 0.25 0.20 -2.51 0.00 0.00 175.55 172.79 2knb s GLY 12 N -3.16 -0.14 -0.10 5.49 0.00 -1.26 -4.39 107.32 103.75 2knb s GLY 12 Ca 0.35 0.50 -0.02 0.00 0.00 0.00 0.00 44.72 45.55 2knb s GLY 12 CO 0.14 0.37 -0.02 -0.11 0.00 0.00 0.00 173.10 173.48 2knb s PHE 13 N -0.45 3.10 -0.06 1.90 -0.12 -0.52 -4.79 117.98 117.04 2knb s PHE 13 Ca -0.06 0.07 -0.30 0.00 -0.05 0.00 0.00 56.93 56.60 2knb s PHE 13 Cb -0.04 -1.82 -0.03 0.00 -0.63 0.00 0.00 43.02 40.50 2knb s PHE 13 CO 0.01 0.34 1.18 -1.25 -0.05 0.00 0.00 175.22 175.45 2knb s PRO 14 N -0.58 4.36 -0.05 1.99 0.04 -1.26 -0.87 135.00 138.63 2knb s PRO 14 Ca 0.09 1.64 0.06 0.00 0.04 0.00 0.00 61.00 62.83 2knb s PRO 14 Cb -0.12 -3.55 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2knb s PRO 14 CO 0.02 -0.43 -0.22 0.08 0.04 0.00 0.00 177.00 176.49 2knb s VAL 15 N 2.17 2.32 -0.39 -0.36 1.01 0.16 -4.90 120.40 120.42 2knb s VAL 15 Ca 0.55 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2knb s VAL 15 Cb -0.24 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.29 2knb s VAL 15 CO 0.22 0.57 0.65 -0.70 0.00 0.00 0.00 175.10 175.84 2knb s GLU 16 N -0.33 3.54 0.45 2.72 2.56 -1.26 -0.67 118.70 125.71 2knb s GLU 16 Ca 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 54.97 54.94 2knb s GLU 16 Cb -0.12 -3.86 -0.03 0.00 2.00 0.00 0.00 34.13 32.11 2knb s GLU 16 CO 0.02 -0.85 0.03 0.14 -0.56 0.00 0.00 175.26 174.04 2knb s VAL 17 N 2.79 1.25 0.47 3.70 -7.23 0.19 -4.88 120.40 116.69 2knb s VAL 17 Ca 0.24 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2knb s VAL 17 Cb -0.14 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2knb s VAL 17 CO 0.17 0.00 0.04 1.51 -0.31 0.00 0.00 175.10 176.50 2knb s ASP 18 N -3.76 3.72 0.34 4.85 -4.77 -1.26 0.34 116.67 116.12 2knb s ASP 18 Ca 0.18 -1.62 0.06 0.00 -3.30 0.00 0.00 52.55 47.87 2knb s ASP 18 Cb 0.04 0.40 0.60 0.00 -1.09 0.00 0.00 42.92 42.87 2knb s ASP 18 CO 0.10 -0.82 1.83 0.28 0.70 0.00 0.00 175.17 177.26 2knb h SER 19 N 1.53 0.37 -0.21 2.11 0.02 -1.98 -2.48 113.55 112.92 2knb h SER 19 Ca -0.42 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2knb h SER 19 Cb 1.29 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2knb h SER 19 CO 0.71 0.55 0.00 -0.67 -1.14 0.00 0.00 176.83 176.27 2knb n ASP 20 N -4.21 1.76 -4.69 3.07 2.03 -1.26 -2.04 116.55 111.22 2knb n ASP 20 Ca 0.00 -1.77 -0.42 0.00 0.52 0.00 0.00 54.79 53.12 2knb n ASP 20 Cb 0.31 -0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.73 3.25 0.29 5.18 2.01 -0.93 -4.84 115.64 118.86 2knb s THR 21 Ca 0.31 0.65 -0.15 0.00 0.31 0.00 0.00 61.69 62.81 2knb s THR 21 Cb 0.17 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 2knb s THR 21 CO 0.25 -0.01 0.70 -0.44 -0.69 0.00 0.00 174.62 174.43 2knb s SER 22 N 2.35 6.79 0.25 3.53 0.01 -1.26 -1.68 113.70 123.70 2knb s SER 22 Ca 0.71 1.23 -0.03 0.00 1.31 0.00 0.00 55.95 59.17 2knb s SER 22 Cb -0.37 -2.35 0.40 0.00 0.21 0.00 0.00 66.02 63.91 2knb s SER 22 CO 0.31 -0.14 1.84 0.40 0.41 0.00 0.00 173.24 176.06 2knb h ILE 23 N 2.12 0.98 -0.85 1.44 1.08 -0.86 -1.05 117.51 120.36 2knb h ILE 23 Ca -0.48 -0.32 0.09 0.00 -0.39 0.00 0.00 64.86 63.76 2knb h ILE 23 Cb 1.18 -0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 2knb h ILE 23 CO 0.66 0.17 0.55 0.15 -0.69 0.00 0.00 178.15 178.99 2knb h PHE 24 N 0.93 0.91 -0.39 1.37 3.57 -1.56 -1.35 116.94 120.42 2knb h PHE 24 Ca 0.41 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.84 2knb h PHE 24 Cb 0.30 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2knb h PHE 24 CO -0.03 0.44 -0.12 1.96 -2.23 0.00 0.00 178.31 178.33 2knb h GLN 25 N 0.86 0.77 0.00 1.11 4.20 -1.50 -2.36 115.11 118.19 2knb h GLN 25 Ca 0.39 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2knb h GLN 25 Cb 0.36 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2knb h GLN 25 CO -0.15 0.92 -0.10 1.25 -0.67 0.00 0.00 178.83 180.08 2knb h LEU 26 N 0.58 0.00 -0.36 1.46 5.85 -0.94 -1.88 115.31 120.03 2knb h LEU 26 Ca 0.10 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 2knb h LEU 26 Cb 0.65 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2knb h LEU 26 CO 0.04 0.10 -0.35 0.11 -0.34 0.00 0.00 178.44 178.00 2knb h LYS 27 N 0.00 0.87 -0.43 1.25 1.57 -0.77 -2.89 116.57 116.17 2knb h LYS 27 Ca -0.00 -0.46 0.08 0.00 -1.87 0.00 0.00 60.65 58.40 2knb h LYS 27 Cb 0.21 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2knb h LYS 27 CO 0.01 1.10 0.29 0.93 -0.57 0.00 0.00 179.45 181.22 2knb h GLU 28 N 0.67 0.23 -0.73 3.15 5.08 -0.95 -0.39 114.58 121.65 2knb h GLU 28 Ca 0.06 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2knb h GLU 28 Cb 0.94 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 2knb h GLU 28 CO 0.09 0.15 0.41 0.28 -1.00 0.00 0.00 179.01 178.94 2knb h VAL 29 N 0.24 0.95 0.13 3.13 2.07 -1.39 -0.07 116.25 121.32 2knb h VAL 29 Ca 0.20 -0.25 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 2knb h VAL 29 Cb 0.47 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2knb h VAL 29 CO -0.04 0.13 -1.46 0.58 0.02 0.00 0.00 177.57 176.81 2knb h VAL 30 N 0.72 1.25 -0.02 2.57 2.07 -1.44 -3.14 116.25 118.25 2knb h VAL 30 Ca 0.33 -2.85 0.03 0.00 0.82 0.00 0.00 66.70 65.03 2knb h VAL 30 Cb 0.24 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.80 2knb h VAL 30 CO -0.21 0.84 -0.17 0.00 0.02 0.00 0.00 177.57 178.05 2knb h ALA 31 N 0.49 -0.19 0.00 1.67 0.00 -0.58 0.17 119.26 120.82 2knb h ALA 31 Ca -0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2knb h ALA 31 Cb 2.02 0.31 0.00 0.00 0.00 0.00 0.00 17.79 20.12 2knb h ALA 31 CO 0.18 -0.66 0.00 0.36 0.00 0.00 0.00 179.25 179.13 2knb n LYS 32 N -5.31 0.20 -0.08 0.00 2.85 -0.08 -0.90 118.16 114.84 2knb n LYS 32 Ca -0.05 0.23 -0.17 0.00 -1.05 0.00 0.00 58.31 57.28 2knb n LYS 32 Cb 0.22 -1.77 -0.12 0.00 -0.65 0.00 0.00 35.03 32.71 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 0.00 -0.00 -1.58 2.43 -1.30 -3.38 114.38 110.55 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 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2knb h ARG 33 CO 0.00 0.96 -0.54 1.04 -1.51 0.00 0.00 179.97 179.92 2knb n GLN 34 N -4.54 0.29 -2.43 0.20 1.13 0.52 -4.97 117.38 107.58 2knb n GLN 34 Ca -0.20 -0.19 -0.05 0.00 -1.94 0.00 0.00 57.00 54.62 2knb n GLN 34 Cb 0.55 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.43 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 0.21 3.13 1.08 0.00 -0.08 -5.06 105.19 105.92 2knb n GLY 35 Ca 0.07 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.11 1.42 0.02 1.61 1.01 -0.56 -5.05 120.40 115.75 2knb s VAL 36 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 61.98 60.94 2knb s VAL 36 Cb -0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 36.38 35.03 2knb s VAL 36 CO 0.22 0.41 1.79 -2.65 0.00 0.00 0.00 175.10 174.87 2knb n PRO 37 N 3.20 2.29 0.21 2.72 -0.02 -1.26 -4.41 135.00 137.73 2knb n PRO 37 Ca -0.18 0.83 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 2knb n PRO 37 Cb 0.53 -2.67 0.74 0.00 -0.02 0.00 0.00 33.50 32.08 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 8.21 1.96 0.00 3.55 0.00 -1.92 -0.33 119.26 130.73 2knb h ALA 38 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2knb h ALA 38 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2knb h ALA 38 CO 0.93 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 2knb n ASP 39 N -4.25 0.46 -0.34 0.00 5.75 -1.26 -2.21 116.55 114.71 2knb n ASP 39 Ca -0.00 0.60 0.08 0.00 -0.01 0.00 0.00 54.79 55.47 2knb n ASP 39 Cb 0.22 -0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 39.59 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 -2.00 1.59 -3.42 0.11 6.02 -0.14 -4.97 117.38 114.58 2knb n GLN 40 Ca 0.03 -0.74 -0.37 0.00 -0.01 0.00 0.00 57.00 55.90 2knb n GLN 40 Cb 0.24 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 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 -2.20 4.46 0.17 1.08 1.43 -0.94 -0.61 118.68 122.08 2knb s LEU 41 Ca 0.13 1.06 0.09 0.00 -1.03 0.00 0.00 54.13 54.38 2knb s LEU 41 Cb 0.14 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2knb s LEU 41 CO 0.46 0.26 -0.19 -0.13 0.23 0.00 0.00 176.35 176.99 2knb s ARG 42 N -1.30 1.33 -0.16 1.70 1.81 0.99 -4.86 118.95 118.45 2knb s ARG 42 Ca 0.28 -1.44 0.01 0.00 -1.72 0.00 0.00 55.73 52.86 2knb s ARG 42 Cb -0.17 -1.43 0.02 0.00 -0.45 0.00 0.00 34.95 32.92 2knb s ARG 42 CO 0.16 0.29 -0.17 0.08 -0.68 0.00 0.00 175.30 174.99 2knb s VAL 43 N -2.02 1.80 -0.10 3.52 1.01 -1.26 -1.88 120.40 121.46 2knb s VAL 43 Ca 0.17 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2knb s VAL 43 Cb -0.06 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 2knb s VAL 43 CO 0.07 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.82 2knb s ILE 44 N 1.39 2.32 -0.09 2.22 1.01 0.61 -0.79 121.20 127.88 2knb s ILE 44 Ca 0.05 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 2knb s ILE 44 Cb -0.13 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.46 2knb s ILE 44 CO -0.12 0.55 -0.06 0.12 0.00 0.00 0.00 174.94 175.44 2knb s PHE 45 N 0.25 1.18 -1.42 3.97 5.36 0.11 -0.22 117.98 127.21 2knb s PHE 45 Ca -0.14 -0.50 -0.06 0.00 -0.96 0.00 0.00 56.93 55.26 2knb s PHE 45 Cb -0.17 -1.03 0.04 0.00 -0.34 0.00 0.00 43.02 41.52 2knb s PHE 45 CO 0.07 -0.40 0.77 0.00 -1.46 0.00 0.00 175.22 174.21 2knb n ALA 46 N 4.74 -1.70 -1.34 11.12 0.00 -1.26 -0.99 120.51 131.07 2knb n ALA 46 Ca -0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 2knb n ALA 46 Cb 0.50 -2.92 -0.05 0.00 0.00 0.00 0.00 19.45 16.99 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 -1.67 1.25 2.93 0.00 0.00 -1.26 -5.00 105.19 101.43 2knb n GLY 47 Ca -0.16 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.99 1.13 -0.02 1.61 1.02 -0.16 -5.12 119.74 115.21 2knb s LYS 48 Ca 0.00 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 2knb s LYS 48 Cb 0.00 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 2knb s LYS 48 CO 0.00 -0.08 1.10 -2.00 -0.92 0.00 0.00 175.35 173.45 2knb s GLU 49 N 0.96 4.44 -0.10 1.68 2.12 -1.26 0.06 118.70 126.60 2knb s GLU 49 Ca -0.10 1.57 -0.19 0.00 0.36 0.00 0.00 54.97 56.61 2knb s GLU 49 Cb -0.15 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2knb s GLU 49 CO 0.00 -0.27 0.52 -0.51 -0.54 0.00 0.00 175.26 174.47 2knb s LEU 50 N 1.57 4.30 0.12 2.70 1.43 0.03 -4.94 118.68 123.88 2knb s LEU 50 Ca 0.54 0.91 -0.31 0.00 -1.03 0.00 0.00 54.13 54.24 2knb s LEU 50 Cb -0.23 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 2knb s LEU 50 CO 0.24 -0.01 1.60 -1.58 0.23 0.00 0.00 176.35 176.84 2knb s GLN 51 N 0.56 4.21 0.63 1.70 -0.44 -1.26 -4.62 119.66 120.44 2knb s GLN 51 Ca 0.28 2.33 0.33 0.00 -2.50 0.00 0.00 55.36 55.80 2knb s GLN 51 Cb -0.16 -3.37 1.82 0.00 -1.64 0.00 0.00 33.01 29.66 2knb s GLN 51 CO 0.12 -0.66 2.10 -0.91 0.50 0.00 0.00 175.29 176.45 2knb h ASN 52 N 7.51 0.00 -0.19 6.67 -0.26 -1.95 0.54 115.58 127.89 2knb h ASN 52 Ca -0.43 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.31 2knb h ASN 52 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 2knb h ASN 52 CO 0.92 0.00 0.00 1.41 -1.06 0.00 0.00 177.43 178.70 2knb n HIS 53 N -3.39 0.24 -2.66 1.19 8.25 -1.26 -1.59 115.22 115.99 2knb n HIS 53 Ca -0.00 -0.12 -0.24 0.00 -0.26 0.00 0.00 57.72 57.10 2knb n HIS 53 Cb 0.30 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.61 3.38 0.34 2.41 1.43 0.18 -4.88 118.68 119.93 2knb s LEU 54 Ca 0.34 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 2knb s LEU 54 Cb 0.19 -3.24 -0.07 0.00 0.03 0.00 0.00 46.19 43.11 2knb s LEU 54 CO 0.28 -0.97 -0.06 0.42 0.23 0.00 0.00 176.35 176.25 2knb s THR 55 N -2.79 1.98 0.19 5.49 -4.23 -1.26 -0.53 115.64 114.49 2knb s THR 55 Ca 0.53 -2.14 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 2knb s THR 55 Cb -0.10 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.17 2knb s THR 55 CO 0.41 -0.18 1.77 0.58 -0.54 0.00 0.00 174.62 176.66 2knb h VAL 56 N 2.05 0.88 -0.00 2.29 2.07 -1.29 -0.66 116.25 121.58 2knb h VAL 56 Ca -0.42 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2knb h VAL 56 Cb 1.24 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2knb h VAL 56 CO 0.71 0.08 0.00 0.00 0.02 0.00 0.00 177.57 178.38 2knb n GLN 57 N -4.94 1.01 -0.34 1.57 10.64 -0.86 -2.93 117.38 121.52 2knb n GLN 57 Ca 0.06 -0.01 0.08 0.00 -1.83 0.00 0.00 57.00 55.30 2knb n GLN 57 Cb 0.19 -1.31 0.21 0.00 -0.86 0.00 0.00 30.24 28.46 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 -0.80 3.14 -3.37 2.61 2.85 -0.26 -5.01 115.26 114.41 2knb n ASN 58 Ca 0.15 -3.13 -0.12 0.00 -0.11 0.00 0.00 54.58 51.37 2knb n ASN 58 Cb 0.07 -0.51 -0.03 0.00 1.24 0.00 0.00 39.78 40.55 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 -1.13 4.47 -4.77 0.00 5.75 -1.26 -4.86 116.55 114.75 2knb n ASP 60 Ca -0.02 -2.36 -0.37 0.00 -0.01 0.00 0.00 54.79 52.02 2knb n ASP 60 Cb 0.61 -0.86 -0.06 0.00 -1.03 0.00 0.00 41.12 39.78 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 -0.33 4.35 0.00 -2.12 1.43 -1.26 -5.07 118.68 115.68 2knb s LEU 61 Ca 0.06 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2knb s LEU 61 Cb 0.04 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2knb s LEU 61 CO 0.00 0.17 0.08 -1.84 0.23 0.00 0.00 176.35 174.99 2knb n GLU 62 N 2.85 0.56 -1.97 1.70 0.28 -1.26 -4.84 120.64 117.96 2knb n GLU 62 Ca -0.12 -1.39 -0.42 0.00 -0.16 0.00 0.00 57.16 55.07 2knb n GLU 62 Cb 0.52 0.90 -0.02 0.00 1.43 0.00 0.00 31.44 34.26 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 -2.61 4.24 -1.17 3.44 2.00 -1.26 -2.59 119.66 121.71 2knb s GLN 63 Ca 0.11 2.33 0.00 0.00 -2.00 0.00 0.00 55.36 55.81 2knb s GLN 63 Cb 0.01 -3.12 0.00 0.00 0.80 0.00 0.00 33.01 30.69 2knb s GLN 63 CO 0.08 -0.50 0.00 1.04 -0.50 0.00 0.00 175.29 175.41 2knb n GLN 64 N 2.89 -0.84 -2.50 1.67 6.02 0.16 -4.98 117.38 119.80 2knb n GLN 64 Ca 0.09 0.81 -0.41 0.00 -0.01 0.00 0.00 57.00 57.49 2knb n GLN 64 Cb 0.39 -4.85 -0.04 0.00 1.02 0.00 0.00 30.24 26.77 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 -2.77 7.24 -0.12 1.08 0.01 -1.07 -4.70 113.70 113.37 2knb s SER 65 Ca 0.00 2.10 -0.16 0.00 1.31 0.00 0.00 55.95 59.20 2knb s SER 65 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2knb s SER 65 CO 0.00 -0.24 0.40 -0.51 0.41 0.00 0.00 173.24 173.30 2knb s ILE 66 N -0.21 5.22 0.10 1.44 1.10 -1.26 -0.34 121.20 127.24 2knb s ILE 66 Ca 0.50 0.78 0.06 0.00 -0.51 0.00 0.00 60.65 61.48 2knb s ILE 66 Cb -0.30 -3.73 -0.03 0.00 0.15 0.00 0.00 42.46 38.55 2knb s ILE 66 CO 0.35 0.38 -0.17 0.68 -2.11 0.00 0.00 174.94 174.07 2knb s VAL 67 N 0.39 1.39 -0.27 4.00 -7.23 0.57 -4.60 120.40 114.65 2knb s VAL 67 Ca 0.22 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 2knb s VAL 67 Cb -0.14 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.47 2knb s VAL 67 CO 0.08 -0.21 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.35 2knb s HIS 68 N -1.43 3.13 -0.39 2.82 2.46 0.69 -1.03 115.29 121.54 2knb s HIS 68 Ca 0.04 -1.59 -0.08 0.00 0.47 0.00 0.00 55.06 53.90 2knb s HIS 68 Cb -0.09 -2.09 0.06 0.00 -0.13 0.00 0.00 32.58 30.33 2knb s HIS 68 CO 0.03 -0.74 0.20 0.42 -2.47 0.00 0.00 174.74 172.19 2knb s ILE 69 N 1.32 4.08 0.20 0.89 1.01 0.14 -0.29 121.20 128.55 2knb s ILE 69 Ca -0.01 -1.28 0.11 0.00 0.00 0.00 0.00 60.65 59.46 2knb s ILE 69 Cb -0.18 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2knb s ILE 69 CO -0.03 -0.38 -0.22 0.68 0.00 0.00 0.00 174.94 175.00 2knb s VAL 70 N 1.42 2.23 -0.46 2.92 -7.23 -0.79 -4.00 120.40 114.49 2knb s VAL 70 Ca 0.02 -2.06 -0.21 0.00 -1.81 0.00 0.00 61.98 57.92 2knb s VAL 70 Cb -0.21 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2knb s VAL 70 CO 0.03 -0.21 0.70 -1.58 -0.31 0.00 0.00 175.10 173.72 2knb s GLN 71 N -2.82 3.28 -0.32 4.82 0.74 -1.26 -0.01 119.66 124.09 2knb s GLN 71 Ca 0.21 -0.40 -0.22 0.00 0.05 0.00 0.00 55.36 55.00 2knb s GLN 71 Cb -0.07 -3.98 -0.00 0.00 1.10 0.00 0.00 33.01 30.06 2knb s GLN 71 CO 0.10 -1.11 0.73 0.50 -0.55 0.00 0.00 175.29 174.95 2knb s ARG 72 N 2.99 3.90 0.28 1.67 3.52 0.22 -4.96 118.95 126.57 2knb s ARG 72 Ca 0.23 0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.96 2knb s ARG 72 Cb -0.14 -3.74 -0.10 0.00 -1.56 0.00 0.00 34.95 29.40 2knb s ARG 72 CO 0.19 -0.67 1.46 -1.25 -0.81 0.00 0.00 175.30 174.22 2knb s PRO 73 N 2.84 4.23 -0.41 5.12 0.04 -1.26 -4.73 135.00 140.83 2knb s PRO 73 Ca 0.29 2.37 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 2knb s PRO 73 Cb -0.14 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.43 2knb s PRO 73 CO 0.13 -0.45 0.21 -1.14 0.04 0.00 0.00 177.00 175.79 2knb s GLN 74 N -0.66 2.10 0.01 4.56 0.74 -1.26 -5.08 119.66 120.06 2knb s GLN 74 Ca 0.59 -1.77 0.03 0.00 0.05 0.00 0.00 55.36 54.26 2knb s GLN 74 Cb -0.43 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.03 2knb s GLN 74 CO 0.47 -1.06 -0.07 0.50 -0.55 0.00 0.00 175.29 174.58 2knb s ARG 75 N 1.18 2.55 0.00 1.67 3.52 -1.26 -5.20 118.95 121.41 2knb s ARG 75 Ca 0.07 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2knb s ARG 75 Cb -0.23 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 2knb s ARG 75 CO -0.03 0.60 0.00 1.17 -0.81 0.00 0.00 175.30 176.23