#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knf n ASN -3 N 0.00 0.31 -0.55 6.43 5.15 -1.26 -4.98 115.26 120.36 2knf n ASN -3 Ca 0.00 -0.65 -0.07 0.00 -0.60 0.00 0.00 54.58 53.25 2knf n ASN -3 Cb 0.00 0.83 -0.03 0.00 -0.53 0.00 0.00 39.78 40.05 2knf n ASN -3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2knf n ALA -2 N -0.85 -0.11 -2.05 5.20 0.00 -1.26 -4.89 120.51 116.55 2knf n ALA -2 Ca 0.01 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 2knf n ALA -2 Cb 0.04 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 2knf n ALA -2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2knf n ASP -1 N -0.29 7.67 -3.59 0.00 2.03 -1.26 -3.28 116.55 117.82 2knf n ASP -1 Ca -0.07 -3.14 -0.16 0.00 0.52 0.00 0.00 54.79 51.94 2knf n ASP -1 Cb 0.37 -1.37 -0.06 0.00 -0.72 0.00 0.00 41.12 39.33 2knf n ASP -1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2knf s MET 2 N -1.63 3.48 -0.48 0.00 0.23 0.29 -4.20 119.30 116.98 2knf s MET 2 Ca -0.10 -0.50 -0.02 0.00 -1.03 0.00 0.00 55.69 54.04 2knf s MET 2 Cb -0.01 -2.81 0.13 0.00 -1.53 0.00 0.00 34.83 30.60 2knf s MET 2 CO 0.05 0.34 0.27 -0.06 -2.03 0.00 0.00 175.02 173.59 2knf s PHE 3 N -2.04 3.51 0.00 3.16 0.08 -1.26 0.17 117.98 121.60 2knf s PHE 3 Ca 0.37 -2.62 0.00 0.00 0.12 0.00 0.00 56.93 54.80 2knf s PHE 3 Cb -0.10 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 2knf s PHE 3 CO 0.31 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.93 2knf n GLY 4 N 4.09 1.79 0.07 4.36 0.00 -1.26 -3.21 105.19 111.03 2knf n GLY 4 Ca 0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 2knf n GLY 4 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2knf h ASN 5 N 0.00 0.00 0.00 1.61 2.35 -1.92 -3.46 115.58 114.16 2knf h ASN 5 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2knf h ASN 5 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2knf h ASN 5 CO 0.00 0.93 0.00 0.61 -1.65 0.00 0.00 177.43 177.32 2knf n GLY 6 N 1.26 1.48 0.29 2.83 0.00 -1.20 -1.67 105.19 108.18 2knf n GLY 6 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2knf n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2knf h LYS 7 N 0.05 0.87 -0.42 1.61 1.57 -1.76 -2.33 116.57 116.16 2knf h LYS 7 Ca 0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2knf h LYS 7 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2knf h LYS 7 CO 0.00 0.92 0.00 0.41 -0.57 0.00 0.00 179.45 180.21 2knf n GLY 8 N -0.43 3.50 3.55 3.86 0.00 -1.26 -4.84 105.19 109.57 2knf n GLY 8 Ca 0.02 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 2knf n GLY 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2knf s TYR 9 N -2.71 1.33 -0.70 1.61 5.04 -0.89 -4.69 117.35 116.34 2knf s TYR 9 Ca 0.48 1.24 -0.00 0.00 -2.44 0.00 0.00 57.07 56.34 2knf s TYR 9 Cb 0.37 -3.80 0.40 0.00 0.35 0.00 0.00 41.96 39.28 2knf s TYR 9 CO 0.13 -2.39 1.84 0.54 -1.34 0.00 0.00 175.55 174.33 2knf n ARG 10 N 9.08 2.89 0.00 4.97 3.00 -1.26 -4.84 116.66 130.50 2knf n ARG 10 Ca 0.30 -3.64 0.00 0.00 -0.01 0.00 0.00 57.85 54.50 2knf n ARG 10 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.72 2knf n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2knf n GLY 11 N -0.65 1.54 0.52 -0.13 0.00 -1.21 -4.65 105.19 100.62 2knf n GLY 11 Ca 0.54 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2knf n GLY 11 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2knf n LYS 12 N 0.00 0.00 -2.17 1.61 2.85 -1.26 -4.75 118.16 114.43 2knf n LYS 12 Ca 0.00 -0.73 -0.41 0.00 -1.05 0.00 0.00 58.31 56.12 2knf n LYS 12 Cb 0.00 -0.34 -0.02 0.00 -0.65 0.00 0.00 35.03 34.01 2knf n LYS 12 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2knf s ARG 13 N 0.00 4.40 -0.15 -1.58 1.81 -1.26 -4.79 118.95 117.38 2knf s ARG 13 Ca 0.01 2.15 0.23 0.00 -1.72 0.00 0.00 55.73 56.40 2knf s ARG 13 Cb 0.01 -3.09 0.47 0.00 -0.45 0.00 0.00 34.95 31.89 2knf s ARG 13 CO -0.00 -0.13 1.14 1.33 -0.68 0.00 0.00 175.30 176.96 2knf n VAL 14 N 0.94 0.81 -3.74 3.52 0.24 -1.26 0.83 118.33 119.67 2knf n VAL 14 Ca 0.00 -2.17 -0.13 0.00 -2.04 0.00 0.00 64.34 60.00 2knf n VAL 14 Cb 0.42 1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.75 2knf n VAL 14 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2knf s THR 15 N -2.23 0.00 0.54 3.34 -4.23 -1.26 -0.62 115.64 111.18 2knf s THR 15 Ca 0.31 -0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 2knf s THR 15 Cb 0.35 -0.55 0.13 0.00 1.34 0.00 0.00 72.50 73.77 2knf s THR 15 CO -0.09 -0.01 0.60 0.35 -0.54 0.00 0.00 174.62 174.93 2knf n THR 16 N 2.82 0.00 0.54 3.99 -2.24 0.58 -3.38 114.28 116.60 2knf n THR 16 Ca -0.13 -0.37 0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2knf n THR 16 Cb 0.57 -1.47 0.44 0.00 -2.10 0.00 0.00 70.33 67.77 2knf n THR 16 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2knf n VAL 17 N -3.25 0.74 0.67 2.28 0.24 0.21 -1.30 118.33 117.93 2knf n VAL 17 Ca 0.08 0.12 0.11 0.00 -2.04 0.00 0.00 64.34 62.62 2knf n VAL 17 Cb 0.29 -0.93 0.08 0.00 -1.47 0.00 0.00 33.84 31.81 2knf n VAL 17 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2knf n THR 18 N -1.92 0.16 -0.55 3.34 -2.24 -1.26 -4.93 114.28 106.88 2knf n THR 18 Ca 0.04 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2knf n THR 18 Cb 0.26 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2knf n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2knf n GLY 19 N 1.39 0.74 3.66 3.38 0.00 -0.42 -5.03 105.19 108.91 2knf n GLY 19 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2knf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2knf s THR 20 N -2.27 4.32 -0.17 2.61 2.01 -1.26 -4.62 115.64 116.26 2knf s THR 20 Ca 0.00 1.59 -0.39 0.00 0.31 0.00 0.00 61.69 63.20 2knf s THR 20 Cb 0.00 -4.03 -0.16 0.00 0.01 0.00 0.00 72.50 68.32 2knf s THR 20 CO 0.00 -0.14 1.59 -2.65 -0.69 0.00 0.00 174.62 172.73 2knf n PRO 21 N 6.57 1.07 -1.86 4.92 -0.02 -1.26 -0.30 135.00 144.11 2knf n PRO 21 Ca 0.14 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2knf n PRO 21 Cb 0.45 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 2knf n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knf s GLN 23 N -0.56 1.09 -0.05 0.00 0.74 0.40 -4.71 119.66 116.57 2knf s GLN 23 Ca 0.61 0.90 -0.30 0.00 0.05 0.00 0.00 55.36 56.62 2knf s GLN 23 Cb -0.46 -1.78 -0.03 0.00 1.10 0.00 0.00 33.01 31.84 2knf s GLN 23 CO 0.47 -2.38 1.16 -0.51 -0.55 0.00 0.00 175.29 173.48 2knf s ASP 24 N -3.28 7.10 0.49 6.67 1.01 -1.26 -4.40 116.67 123.00 2knf s ASP 24 Ca 0.64 1.78 0.23 0.00 0.71 0.00 0.00 52.55 55.91 2knf s ASP 24 Cb -0.19 -2.56 1.29 0.00 1.01 0.00 0.00 42.92 42.47 2knf s ASP 24 CO 0.58 -0.54 1.93 -0.50 0.21 0.00 0.00 175.17 176.85 2knf h TRP 25 N 7.31 0.19 0.00 4.23 4.06 -1.06 0.34 115.95 131.02 2knf h TRP 25 Ca -0.35 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.61 2knf h TRP 25 Cb 1.17 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 2knf h TRP 25 CO 0.72 0.06 0.00 0.00 -3.56 0.00 0.00 178.44 175.66 2knf h ALA 26 N 1.65 1.00 -2.98 1.49 0.00 -1.82 -3.36 119.26 115.24 2knf h ALA 26 Ca 0.35 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.64 2knf h ALA 26 Cb 1.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2knf h ALA 26 CO -0.06 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.67 2knf s ALA 27 N -3.31 3.89 -0.48 0.00 0.00 0.12 -4.96 121.76 117.01 2knf s ALA 27 Ca 0.06 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2knf s ALA 27 Cb 0.07 -1.72 0.56 0.00 0.00 0.00 0.00 23.12 22.04 2knf s ALA 27 CO 0.62 0.80 1.84 1.04 0.00 0.00 0.00 175.76 180.06 2knf n GLN 28 N 0.31 2.40 -3.64 0.00 1.13 -1.26 -4.60 117.38 111.72 2knf n GLN 28 Ca -0.06 -3.19 -0.20 0.00 -1.94 0.00 0.00 57.00 51.61 2knf n GLN 28 Cb 0.51 -2.16 -0.17 0.00 0.11 0.00 0.00 30.24 28.53 2knf n GLN 28 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2knf s GLU 29 N -3.47 0.01 -0.31 -1.09 2.02 -1.26 -1.75 118.70 112.84 2knf s GLU 29 Ca 0.57 0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.92 2knf s GLU 29 Cb 0.47 -0.72 0.35 0.00 0.10 0.00 0.00 34.13 34.33 2knf s GLU 29 CO 0.05 -0.41 1.71 -0.35 0.02 0.00 0.00 175.26 176.28 2knf n PRO 30 N 5.31 1.83 -3.82 0.39 -0.04 -1.26 -4.66 135.00 132.74 2knf n PRO 30 Ca -0.04 -1.83 -0.29 0.00 -0.04 0.00 0.00 63.50 61.29 2knf n PRO 30 Cb 0.50 -1.72 -0.16 0.00 -0.04 0.00 0.00 33.50 32.08 2knf n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2knf s HIS 31 N -2.05 1.75 -0.19 0.54 3.76 -1.00 -5.01 115.29 113.08 2knf s HIS 31 Ca 0.35 -1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 53.53 2knf s HIS 31 Cb 0.29 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 2knf s HIS 31 CO 0.04 -0.74 1.33 -0.98 -0.85 0.00 0.00 174.74 173.55 2knf s ARG 32 N 1.61 4.12 -0.30 1.40 1.04 -0.72 -4.08 118.95 122.03 2knf s ARG 32 Ca 0.00 1.61 0.00 0.00 -1.04 0.00 0.00 55.73 56.31 2knf s ARG 32 Cb -0.18 -3.83 0.14 0.00 -2.04 0.00 0.00 34.95 29.04 2knf s ARG 32 CO -0.11 -0.86 0.31 -3.38 -0.04 0.00 0.00 175.30 171.22 2knf s HIS 33 N 3.88 -0.49 -0.00 5.89 -3.43 -1.26 -4.98 115.29 114.89 2knf s HIS 33 Ca 0.58 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.65 2knf s HIS 33 Cb -0.22 -0.43 0.00 0.00 -1.43 0.00 0.00 32.58 30.50 2knf s HIS 33 CO 0.19 -0.93 1.30 0.45 -2.00 0.00 0.00 174.74 173.75 2knf n SER 34 N 5.22 3.71 -3.92 7.38 2.88 -1.26 -4.73 113.62 122.90 2knf n SER 34 Ca -0.01 -2.13 -0.10 0.00 -1.33 0.00 0.00 58.87 55.30 2knf n SER 34 Cb 0.46 -0.69 -0.11 0.00 -0.75 0.00 0.00 64.21 63.12 2knf n SER 34 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2knf s ILE 35 N -0.02 0.08 -1.42 2.46 -4.36 -1.26 -4.81 121.20 111.86 2knf s ILE 35 Ca 0.00 -0.65 -0.06 0.00 -0.26 0.00 0.00 60.65 59.68 2knf s ILE 35 Cb 0.00 -0.28 0.04 0.00 1.25 0.00 0.00 42.46 43.47 2knf s ILE 35 CO 0.00 -0.35 0.80 0.49 0.24 0.00 0.00 174.94 176.12 2knf n PHE 36 N 1.86 -2.06 -2.97 1.37 3.72 -1.26 -5.01 117.46 113.10 2knf n PHE 36 Ca -0.21 0.86 -0.18 0.00 -0.05 0.00 0.00 57.45 57.87 2knf n PHE 36 Cb 0.56 -4.15 0.03 0.00 -0.94 0.00 0.00 39.48 34.98 2knf n PHE 36 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2knf s THR 37 N -3.53 2.72 0.63 4.37 -4.23 -1.26 -4.69 115.64 109.65 2knf s THR 37 Ca 0.30 -0.96 0.43 0.00 -1.18 0.00 0.00 61.69 60.29 2knf s THR 37 Cb -0.15 -2.76 0.44 0.00 1.34 0.00 0.00 72.50 71.36 2knf s THR 37 CO 0.83 0.00 2.35 -0.65 -0.54 0.00 0.00 174.62 176.60 2knf h PRO 38 N 0.43 0.00 0.06 3.99 0.11 -1.78 -0.67 132.00 134.14 2knf h PRO 38 Ca -0.37 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.40 2knf h PRO 38 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 2knf h PRO 38 CO 0.44 0.00 -1.94 0.39 -0.21 0.00 0.00 178.00 176.69 2knf n GLU 39 N -3.14 0.70 0.08 1.05 4.71 -1.26 -3.13 120.64 119.65 2knf n GLU 39 Ca -0.03 0.25 0.01 0.00 -0.01 0.00 0.00 57.16 57.39 2knf n GLU 39 Cb 0.09 -1.72 -0.04 0.00 -1.01 0.00 0.00 31.44 28.76 2knf n GLU 39 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2knf h THR 40 N 0.04 0.63 -2.09 2.62 1.35 -1.87 -3.39 112.91 110.20 2knf h THR 40 Ca -0.39 -2.05 -0.55 0.00 -0.55 0.00 0.00 66.41 62.87 2knf h THR 40 Cb 2.03 2.17 -0.40 0.00 -1.73 0.00 0.00 68.15 70.22 2knf h THR 40 CO 0.07 0.36 -0.96 0.59 -0.25 0.00 0.00 175.52 175.33 2knf n ASN 41 N -3.02 1.80 -0.18 5.36 4.13 -0.27 -4.89 115.26 118.19 2knf n ASN 41 Ca -0.04 -3.10 0.00 0.00 1.68 0.00 0.00 54.58 53.11 2knf n ASN 41 Cb 0.78 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 2knf n ASN 41 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2knf n PRO 42 N 0.67 0.79 -0.02 3.52 -0.04 -1.18 -2.94 135.00 135.80 2knf n PRO 42 Ca 0.26 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 2knf n PRO 42 Cb 0.52 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.71 2knf n PRO 42 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2knf n ARG 43 N -0.29 0.64 0.00 0.54 1.85 -1.26 -4.46 116.66 113.68 2knf n ARG 43 Ca 0.00 -0.14 0.07 0.00 -1.00 0.00 0.00 57.85 56.78 2knf n ARG 43 Cb 0.07 -1.43 0.05 0.00 -1.05 0.00 0.00 32.46 30.10 2knf n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2knf n ALA 44 N -2.19 2.58 -2.98 2.89 0.00 -1.15 -4.99 120.51 114.67 2knf n ALA 44 Ca -0.07 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 2knf n ALA 44 Cb 0.55 -0.50 0.05 0.00 0.00 0.00 0.00 19.45 19.55 2knf n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2knf n GLY 45 N 0.88 -0.02 2.74 0.00 0.00 -1.25 -4.89 105.19 102.65 2knf n GLY 45 Ca 0.08 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2knf n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2knf n LEU 46 N -3.03 6.25 -4.90 0.99 4.32 -1.26 -4.92 117.00 114.45 2knf n LEU 46 Ca -0.11 -3.71 -0.31 0.00 -0.02 0.00 0.00 56.01 51.86 2knf n LEU 46 Cb 0.58 -1.44 -0.04 0.00 -1.62 0.00 0.00 43.42 40.90 2knf n LEU 46 CO 0.38 0.83 0.09 -1.83 -1.22 0.00 0.00 177.39 175.64 2knf s GLU 47 N 3.53 3.64 2.50 3.23 -1.05 -1.26 -3.30 118.70 125.98 2knf s GLU 47 Ca 0.53 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 2knf s GLU 47 Cb 0.14 -2.78 0.00 0.00 -0.44 0.00 0.00 34.13 31.05 2knf s GLU 47 CO -0.02 0.40 0.00 1.63 0.95 0.00 0.00 175.26 178.21 2knf n LYS 48 N -0.20 0.00 -0.39 -4.83 4.01 -1.26 -2.16 118.16 113.32 2knf n LYS 48 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2knf n LYS 48 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2knf n LYS 48 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2knf n ASN 49 N 7.22 0.00 -4.70 4.39 6.94 -1.26 -0.48 115.26 127.37 2knf n ASN 49 Ca 0.00 -1.78 -0.42 0.00 -0.02 0.00 0.00 54.58 52.36 2knf n ASN 49 Cb 0.00 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 2knf n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2knf s TYR 50 N 0.00 2.74 0.63 -2.53 2.02 -0.92 -4.50 117.35 114.79 2knf s TYR 50 Ca 0.00 0.58 -0.18 0.00 -0.37 0.00 0.00 57.07 57.10 2knf s TYR 50 Cb 0.00 -3.84 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 2knf s TYR 50 CO 0.00 -3.24 0.84 0.00 -1.57 0.00 0.00 175.55 171.58 2knf s ARG 52 N -2.73 1.39 -0.52 0.00 1.81 -0.65 -4.70 118.95 113.55 2knf s ARG 52 Ca 0.74 -1.00 0.05 0.00 -1.72 0.00 0.00 55.73 53.81 2knf s ARG 52 Cb -0.40 0.49 0.20 0.00 -0.45 0.00 0.00 34.95 34.79 2knf s ARG 52 CO 0.49 -0.58 0.49 -1.71 -0.68 0.00 0.00 175.30 173.31 2knf n ASN 53 N -0.33 1.29 -0.19 0.23 2.85 -1.11 -0.33 115.26 117.67 2knf n ASN 53 Ca -0.08 -2.84 0.11 0.00 -0.11 0.00 0.00 54.58 51.66 2knf n ASN 53 Cb 0.62 -0.65 0.41 0.00 1.24 0.00 0.00 39.78 41.41 2knf n ASN 53 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2knf h PRO 54 N 5.00 0.60 0.00 1.20 0.11 -1.92 -1.67 132.00 135.32 2knf h PRO 54 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2knf h PRO 54 Cb 0.82 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2knf h PRO 54 CO 0.56 0.40 -0.98 -0.25 -0.21 0.00 0.00 178.00 177.51 2knf n ASP 55 N -4.50 0.69 -3.43 -2.05 8.00 -1.26 -4.97 116.55 109.03 2knf n ASP 55 Ca 0.13 -0.50 -0.17 0.00 0.71 0.00 0.00 54.79 54.96 2knf n ASP 55 Cb 0.37 0.85 0.08 0.00 -0.02 0.00 0.00 41.12 42.40 2knf n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2knf n GLY 56 N 1.44 -0.52 3.62 0.44 0.00 -0.63 -4.91 105.19 104.62 2knf n GLY 56 Ca 0.03 0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.78 2knf n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2knf n ASP 57 N -3.13 2.03 0.00 1.61 -0.08 -1.26 -4.80 116.55 110.91 2knf n ASP 57 Ca -0.24 1.13 0.01 0.00 -1.51 0.00 0.00 54.79 54.18 2knf n ASP 57 Cb 0.66 -1.31 0.03 0.00 2.34 0.00 0.00 41.12 42.85 2knf n ASP 57 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2knf n VAL 58 N 1.93 0.00 0.26 5.18 0.31 -1.26 -1.50 118.33 123.25 2knf n VAL 58 Ca 0.14 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.54 2knf n VAL 58 Cb 0.27 -0.23 -0.10 0.00 -0.91 0.00 0.00 33.84 32.87 2knf n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2knf n GLY 59 N 0.11 -0.51 0.00 2.92 0.00 -1.26 -5.03 105.19 101.42 2knf n GLY 59 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2knf n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2knf n GLY 60 N 1.55 0.80 3.81 -0.02 0.00 -0.56 -5.05 105.19 105.71 2knf n GLY 60 Ca -0.01 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 2knf n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2knf s PRO 61 N -0.89 2.93 0.22 1.61 0.04 -0.67 -4.42 135.00 133.81 2knf s PRO 61 Ca 0.00 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.13 2knf s PRO 61 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2knf s PRO 61 CO 0.00 -1.11 0.25 -2.67 0.04 0.00 0.00 177.00 173.51 2knf n TRP 62 N -2.87 -0.80 -3.89 0.56 4.27 0.55 -0.54 117.44 114.71 2knf n TRP 62 Ca 0.08 -1.69 -0.03 0.00 -3.89 0.00 0.00 57.50 51.97 2knf n TRP 62 Cb 0.53 0.27 0.02 0.00 -1.36 0.00 0.00 31.31 30.78 2knf n TRP 62 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2knf s TYR 64 N -2.09 3.55 0.09 0.00 2.02 -1.26 -1.71 117.35 117.95 2knf s TYR 64 Ca 0.22 0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 57.32 2knf s TYR 64 Cb -0.03 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2knf s TYR 64 CO 0.06 0.62 0.26 0.95 -1.57 0.00 0.00 175.55 175.87 2knf s THR 65 N -1.36 5.33 -0.59 -0.71 -4.23 -0.08 0.15 115.64 114.16 2knf s THR 65 Ca 0.29 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.48 2knf s THR 65 Cb -0.13 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.26 2knf s THR 65 CO 0.19 0.08 0.95 0.35 -0.54 0.00 0.00 174.62 175.65 2knf n THR 66 N 0.11 0.97 -3.55 3.99 -2.24 -0.41 -4.44 114.28 108.71 2knf n THR 66 Ca -0.05 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 60.95 2knf n THR 66 Cb 0.52 -0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 2knf n THR 66 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2knf s ASN 67 N -0.00 6.06 0.00 3.42 3.84 -1.26 -4.86 114.94 122.14 2knf s ASN 67 Ca 0.14 -0.18 0.07 0.00 0.21 0.00 0.00 52.86 53.09 2knf s ASN 67 Cb 0.11 -2.14 0.40 0.00 -0.55 0.00 0.00 41.25 39.07 2knf s ASN 67 CO 0.04 -0.15 0.82 -2.65 -2.79 0.00 0.00 177.10 172.36 2knf n PRO 68 N 5.11 0.41 0.03 0.43 -0.02 -1.26 -2.17 135.00 137.53 2knf n PRO 68 Ca -0.13 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.15 2knf n PRO 68 Cb 0.51 -1.25 -0.14 0.00 -0.02 0.00 0.00 33.50 32.59 2knf n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knf h ARG 69 N 0.00 0.28 -4.10 -0.52 2.47 -1.98 -3.49 114.38 107.05 2knf h ARG 69 Ca 0.00 -0.48 -0.11 0.00 -1.26 0.00 0.00 59.98 58.13 2knf h ARG 69 Cb 0.00 0.18 -0.15 0.00 -1.65 0.00 0.00 29.97 28.35 2knf h ARG 69 CO 0.00 1.18 -0.58 -1.59 0.56 0.00 0.00 179.97 179.54 2knf s LYS 70 N -2.57 0.68 -0.14 0.04 -2.85 -0.92 -5.08 119.74 108.89 2knf s LYS 70 Ca -0.18 -1.13 -0.27 0.00 -1.00 0.00 0.00 55.97 53.39 2knf s LYS 70 Cb 0.06 0.25 -0.25 0.00 -2.06 0.00 0.00 37.83 35.83 2knf s LYS 70 CO 0.81 -0.16 0.70 1.25 0.10 0.00 0.00 175.35 178.05 2knf h LEU 71 N 3.04 0.03 -8.19 2.77 5.85 -1.91 -3.41 115.31 113.49 2knf h LEU 71 Ca -0.34 -0.93 -0.13 0.00 0.84 0.00 0.00 57.88 57.32 2knf h LEU 71 Cb 1.16 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.04 2knf h LEU 71 CO 0.63 1.09 -0.50 -0.72 -0.34 0.00 0.00 178.44 178.60 2knf s TYR 72 N -2.25 0.54 0.22 1.25 1.13 -1.26 -0.90 117.35 116.08 2knf s TYR 72 Ca -0.20 -0.95 -0.05 0.00 -1.41 0.00 0.00 57.07 54.46 2knf s TYR 72 Cb -0.02 -0.26 0.02 0.00 -1.10 0.00 0.00 41.96 40.60 2knf s TYR 72 CO 0.69 -0.57 0.38 -3.47 -2.51 0.00 0.00 175.55 170.06 2knf n ASP 73 N -0.10 -1.08 -4.93 -0.18 -0.08 -0.69 -4.86 116.55 104.63 2knf n ASP 73 Ca -0.09 -2.02 -0.25 0.00 -1.51 0.00 0.00 54.79 50.92 2knf n ASP 73 Cb 0.63 1.88 -0.02 0.00 2.34 0.00 0.00 41.12 45.95 2knf n ASP 73 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2knf s TYR 74 N -4.44 3.50 0.42 -0.67 2.02 -1.26 -1.59 117.35 115.32 2knf s TYR 74 Ca 0.13 0.42 0.08 0.00 -0.37 0.00 0.00 57.07 57.33 2knf s TYR 74 Cb -0.02 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2knf s TYR 74 CO 0.09 0.12 0.40 0.00 -1.57 0.00 0.00 175.55 174.60 2knf n ASP 76 N -1.59 4.23 -4.37 0.00 2.03 -1.22 -4.49 116.55 111.15 2knf n ASP 76 Ca 0.04 -3.38 -0.33 0.00 0.52 0.00 0.00 54.79 51.64 2knf n ASP 76 Cb 0.61 -0.83 -0.14 0.00 -0.72 0.00 0.00 41.12 40.04 2knf n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2knf s VAL 77 N -2.31 3.15 0.80 5.18 0.11 -1.26 -5.03 120.40 121.04 2knf s VAL 77 Ca 0.35 -0.62 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 2knf s VAL 77 Cb 0.08 -2.34 0.06 0.00 -1.53 0.00 0.00 36.38 32.65 2knf s VAL 77 CO -0.02 0.51 1.06 -0.81 -3.33 0.00 0.00 175.10 172.51 2knf n PRO 78 N 3.70 0.22 -2.42 1.54 -0.04 -1.26 -4.54 135.00 132.20 2knf n PRO 78 Ca -0.18 0.15 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 2knf n PRO 78 Cb 0.52 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 2knf n PRO 78 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2knf s GLN 79 N -3.84 3.69 0.08 0.54 2.00 -1.26 -0.55 119.66 120.32 2knf s GLN 79 Ca 0.72 0.93 -0.13 0.00 -2.00 0.00 0.00 55.36 54.88 2knf s GLN 79 Cb -0.30 -3.96 -0.22 0.00 0.80 0.00 0.00 33.01 29.32 2knf s GLN 79 CO 0.52 -1.42 1.19 0.00 -0.50 0.00 0.00 175.29 175.08 2knf n ALA 81 N -2.64 6.69 -0.76 0.00 0.00 -1.01 -4.99 120.51 117.80 2knf n ALA 81 Ca -0.11 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.34 2knf n ALA 81 Cb 0.90 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 17.38 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50