#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 0.45 -1.16 6.43 5.15 -1.26 -4.91 115.26 119.96 2knf n ASN -3 Ca 0.00 -0.18 -0.14 0.00 -0.60 0.00 0.00 54.58 53.65 2knf n ASN -3 Cb 0.00 0.11 -0.06 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.42 -0.24 -1.97 5.20 0.00 -1.26 -4.88 120.51 115.93 2knf n ALA -2 Ca 0.07 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.33 2knf n ALA -2 Cb 0.33 -1.59 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.37 7.96 -3.68 0.00 2.03 -1.26 -3.54 116.55 117.68 2knf n ASP -1 Ca -0.15 -3.15 -0.11 0.00 0.52 0.00 0.00 54.79 51.91 2knf n ASP -1 Cb 0.49 -1.35 -0.05 0.00 -0.72 0.00 0.00 41.12 39.48 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 -3.48 3.50 -0.38 0.00 0.23 0.67 -4.13 119.30 115.72 2knf s MET 2 Ca 0.01 -0.39 -0.06 0.00 -1.03 0.00 0.00 55.69 54.22 2knf s MET 2 Cb 0.02 -2.87 0.07 0.00 -1.53 0.00 0.00 34.83 30.52 2knf s MET 2 CO -0.10 0.43 0.16 -0.06 -2.03 0.00 0.00 175.02 173.43 2knf s PHE 3 N -1.84 3.37 0.00 3.16 0.40 -1.26 0.17 117.98 121.98 2knf s PHE 3 Ca 0.38 -1.78 0.00 0.00 -0.60 0.00 0.00 56.93 54.93 2knf s PHE 3 Cb -0.11 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.71 2knf s PHE 3 CO 0.29 -0.84 0.00 0.41 0.70 0.00 0.00 175.22 175.78 2knf n GLY 4 N 4.76 1.96 0.08 4.36 0.00 -1.26 -2.71 105.19 112.38 2knf n GLY 4 Ca -0.09 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.47 115.58 114.15 2knf h ASN 5 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 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 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 2knf n GLY 6 N 1.30 1.21 0.33 2.83 0.00 -1.10 -1.42 105.19 108.34 2knf n GLY 6 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 2.18 1.15 -0.40 1.61 1.57 -1.72 -2.15 116.57 118.81 2knf h LYS 7 Ca 0.00 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 2knf h LYS 7 Cb 0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 2knf h LYS 7 CO 0.00 0.93 0.04 0.41 -0.57 0.00 0.00 179.45 180.26 2knf n GLY 8 N -0.88 4.00 3.60 3.86 0.00 -1.26 -4.81 105.19 109.70 2knf n GLY 8 Ca 0.07 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.93 1.69 -0.30 1.61 5.04 -0.84 -4.39 117.35 117.23 2knf s TYR 9 Ca 0.46 0.60 0.07 0.00 -2.44 0.00 0.00 57.07 55.77 2knf s TYR 9 Cb 0.38 -4.09 0.46 0.00 0.35 0.00 0.00 41.96 39.06 2knf s TYR 9 CO 0.09 -3.18 1.23 0.54 -1.34 0.00 0.00 175.55 172.89 2knf n ARG 10 N 8.48 3.42 0.00 4.97 5.12 -1.26 -4.82 116.66 132.57 2knf n ARG 10 Ca 0.24 -4.06 0.00 0.00 -1.93 0.00 0.00 57.85 52.10 2knf n ARG 10 Cb 0.46 -2.23 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 2knf n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2knf n GLY 11 N -0.75 1.29 0.79 -0.13 0.00 -1.23 -4.82 105.19 100.34 2knf n GLY 11 Ca 0.43 -1.76 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.24 1.61 0.00 -1.26 -4.80 118.16 111.46 2knf n LYS 12 Ca 0.00 -0.92 -0.41 0.00 -0.00 0.00 0.00 58.31 56.98 2knf n LYS 12 Cb 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.03 34.91 2knf n LYS 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2knf s ARG 13 N 0.00 4.43 -0.13 -1.58 1.81 -1.26 -4.85 118.95 117.38 2knf s ARG 13 Ca 0.07 2.05 0.23 0.00 -1.72 0.00 0.00 55.73 56.36 2knf s ARG 13 Cb 0.08 -3.15 0.46 0.00 -0.45 0.00 0.00 34.95 31.89 2knf s ARG 13 CO -0.03 -0.13 1.15 1.33 -0.68 0.00 0.00 175.30 176.94 2knf n VAL 14 N 1.68 0.75 -3.73 3.52 0.24 -1.26 0.69 118.33 120.22 2knf n VAL 14 Ca 0.02 -2.05 -0.13 0.00 -2.04 0.00 0.00 64.34 60.14 2knf n VAL 14 Cb 0.43 0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 2knf n VAL 14 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2knf s THR 15 N -1.96 -0.00 0.53 3.34 2.01 -1.26 -0.58 115.64 117.71 2knf s THR 15 Ca 0.32 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.25 2knf s THR 15 Cb 0.36 -0.58 0.13 0.00 0.01 0.00 0.00 72.50 72.41 2knf s THR 15 CO -0.10 0.01 0.58 0.35 -0.69 0.00 0.00 174.62 174.76 2knf n THR 16 N 3.10 0.00 0.31 -0.82 -2.24 0.12 -3.87 114.28 110.88 2knf n THR 16 Ca -0.15 -0.35 0.16 0.00 -2.27 0.00 0.00 64.05 61.44 2knf n THR 16 Cb 0.57 -1.43 0.69 0.00 -2.10 0.00 0.00 70.33 68.06 2knf n THR 16 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2knf h VAL 17 N -1.73 0.00 0.00 2.28 -1.51 0.49 -1.19 116.25 114.58 2knf h VAL 17 Ca -0.20 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2knf h VAL 17 Cb 0.58 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2knf h VAL 17 CO 0.14 0.00 -0.93 0.35 -1.23 0.00 0.00 177.57 175.90 2knf n THR 18 N -2.77 0.21 -0.67 7.19 -2.24 -1.26 -4.93 114.28 109.81 2knf n THR 18 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2knf n THR 18 Cb 0.23 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.36 0.62 3.67 3.38 0.00 -0.45 -5.04 105.19 108.73 2knf n GLY 19 Ca 0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 4.44 -0.03 2.61 2.01 -1.26 -4.68 115.64 116.73 2knf s THR 20 Ca 0.00 1.74 -0.36 0.00 0.31 0.00 0.00 61.69 63.38 2knf s THR 20 Cb 0.00 -4.12 -0.14 0.00 0.01 0.00 0.00 72.50 68.24 2knf s THR 20 CO 0.00 -0.08 1.64 -2.65 -0.69 0.00 0.00 174.62 172.84 2knf n PRO 21 N 5.85 1.67 -1.93 4.92 -0.02 -1.26 0.12 135.00 144.34 2knf n PRO 21 Ca 0.12 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 2knf n PRO 21 Cb 0.46 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.22 1.96 -0.08 0.00 0.74 0.40 -4.64 119.66 115.83 2knf s GLN 23 Ca 0.56 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 56.28 2knf s GLN 23 Cb -0.42 -1.91 -0.03 0.00 1.10 0.00 0.00 33.01 31.76 2knf s GLN 23 CO 0.54 -1.70 1.18 -0.51 -0.55 0.00 0.00 175.29 174.26 2knf s ASP 24 N -3.91 7.06 0.53 6.67 1.11 -1.26 -4.35 116.67 122.53 2knf s ASP 24 Ca 0.61 1.76 0.25 0.00 0.18 0.00 0.00 52.55 55.35 2knf s ASP 24 Cb -0.14 -2.56 1.39 0.00 1.07 0.00 0.00 42.92 42.68 2knf s ASP 24 CO 0.54 -0.59 2.00 -0.50 1.18 0.00 0.00 175.17 177.80 2knf h TRP 25 N 7.49 0.00 0.00 4.23 4.06 -1.24 0.43 115.95 130.92 2knf h TRP 25 Ca -0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2knf h TRP 25 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 2knf h TRP 25 CO 0.74 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 175.62 2knf h ALA 26 N 1.74 1.00 -2.92 1.49 0.00 -1.86 -3.36 119.26 115.36 2knf h ALA 26 Ca 0.24 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.55 2knf h ALA 26 Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2knf h ALA 26 CO -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 178.70 2knf s ALA 27 N -3.27 3.74 -0.46 0.00 0.00 0.15 -4.97 121.76 116.95 2knf s ALA 27 Ca 0.07 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2knf s ALA 27 Cb 0.08 -1.58 0.59 0.00 0.00 0.00 0.00 23.12 22.21 2knf s ALA 27 CO 0.59 0.69 1.83 1.04 0.00 0.00 0.00 175.76 179.91 2knf n GLN 28 N 0.09 2.32 -3.64 0.00 1.13 -1.26 -4.58 117.38 111.44 2knf n GLN 28 Ca -0.07 -3.15 -0.17 0.00 -1.94 0.00 0.00 57.00 51.66 2knf n GLN 28 Cb 0.52 -2.14 -0.15 0.00 0.11 0.00 0.00 30.24 28.58 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 -3.41 0.06 -0.23 -1.09 2.02 -1.26 -1.92 118.70 112.87 2knf s GLU 29 Ca 0.56 0.48 0.02 0.00 0.02 0.00 0.00 54.97 56.05 2knf s GLU 29 Cb 0.47 -0.49 0.31 0.00 0.10 0.00 0.00 34.13 34.53 2knf s GLU 29 CO 0.06 -0.38 1.51 -0.35 0.02 0.00 0.00 175.26 176.12 2knf n PRO 30 N 5.32 1.63 -3.83 0.39 -0.04 -1.26 -4.64 135.00 132.57 2knf n PRO 30 Ca -0.05 -1.47 -0.29 0.00 -0.04 0.00 0.00 63.50 61.65 2knf n PRO 30 Cb 0.50 -1.58 -0.16 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.63 1.59 -0.17 0.54 3.76 -0.98 -4.99 115.29 113.41 2knf s HIS 31 Ca 0.28 -1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 53.70 2knf s HIS 31 Cb 0.23 -1.25 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 2knf s HIS 31 CO 0.05 -0.67 1.31 -0.98 -0.85 0.00 0.00 174.74 173.60 2knf s ARG 32 N 1.67 4.18 -0.30 1.40 3.03 -0.81 -4.05 118.95 124.07 2knf s ARG 32 Ca -0.02 1.65 0.02 0.00 2.03 0.00 0.00 55.73 59.41 2knf s ARG 32 Cb -0.17 -3.80 0.16 0.00 -1.03 0.00 0.00 34.95 30.10 2knf s ARG 32 CO -0.07 -0.78 0.41 -3.38 -1.13 0.00 0.00 175.30 170.34 2knf s HIS 33 N 3.70 -0.96 -0.05 5.89 -3.43 -1.26 -4.98 115.29 114.19 2knf s HIS 33 Ca 0.57 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 55.06 2knf s HIS 33 Cb -0.22 -0.18 0.07 0.00 -1.43 0.00 0.00 32.58 30.82 2knf s HIS 33 CO 0.17 -0.99 1.29 0.45 -2.00 0.00 0.00 174.74 173.66 2knf n SER 34 N 5.27 3.62 -3.97 7.38 2.88 -1.26 -4.75 113.62 122.79 2knf n SER 34 Ca 0.01 -2.25 -0.09 0.00 -1.33 0.00 0.00 58.87 55.21 2knf n SER 34 Cb 0.49 -0.66 -0.10 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.39 0.12 -1.43 2.46 -4.36 -1.26 -4.82 121.20 111.53 2knf s ILE 35 Ca 0.06 -1.01 -0.05 0.00 -0.26 0.00 0.00 60.65 59.40 2knf s ILE 35 Cb 0.05 -0.52 0.03 0.00 1.25 0.00 0.00 42.46 43.28 2knf s ILE 35 CO 0.01 -0.55 0.66 0.49 0.24 0.00 0.00 174.94 175.79 2knf n PHE 36 N 1.29 -1.87 -2.98 1.37 3.72 -1.26 -5.01 117.46 112.72 2knf n PHE 36 Ca -0.22 0.82 -0.18 0.00 -0.05 0.00 0.00 57.45 57.82 2knf n PHE 36 Cb 0.56 -3.94 0.02 0.00 -0.94 0.00 0.00 39.48 35.19 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 -3.67 2.86 0.65 4.37 -4.23 -1.26 -4.70 115.64 109.67 2knf s THR 37 Ca 0.20 -0.97 0.41 0.00 -1.18 0.00 0.00 61.69 60.15 2knf s THR 37 Cb -0.11 -2.89 0.42 0.00 1.34 0.00 0.00 72.50 71.27 2knf s THR 37 CO 0.85 0.00 2.33 -0.65 -0.54 0.00 0.00 174.62 176.61 2knf h PRO 38 N 0.53 0.00 0.00 3.99 0.11 -1.78 -1.93 132.00 132.92 2knf h PRO 38 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2knf h PRO 38 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2knf h PRO 38 CO 0.45 0.00 -1.89 0.39 -0.21 0.00 0.00 178.00 176.74 2knf n GLU 39 N -3.26 0.60 0.02 1.05 1.02 -1.26 -3.66 120.64 115.14 2knf n GLU 39 Ca -0.03 -0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.04 2knf n GLU 39 Cb 0.09 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 2knf n GLU 39 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2knf n THR 40 N -2.18 0.15 -3.18 2.62 -2.24 -1.14 -4.60 114.28 103.72 2knf n THR 40 Ca -0.04 -0.41 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 2knf n THR 40 Cb 0.51 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 2knf n THR 40 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2knf n ASN 41 N -2.21 1.25 -0.40 3.42 4.13 -0.74 -4.89 115.26 115.82 2knf n ASN 41 Ca -0.01 -3.00 0.00 0.00 1.68 0.00 0.00 54.58 53.24 2knf n ASN 41 Cb 0.52 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 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 0.69 0.79 -0.02 3.52 -0.04 -1.24 -2.79 135.00 135.92 2knf n PRO 42 Ca 0.25 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2knf n PRO 42 Cb 0.56 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.01 1.04 -0.24 0.54 1.85 -1.26 -4.52 116.66 114.06 2knf n ARG 43 Ca 0.00 -0.07 0.11 0.00 -1.00 0.00 0.00 57.85 56.89 2knf n ARG 43 Cb 0.16 -1.26 0.24 0.00 -1.05 0.00 0.00 32.46 30.54 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 -2.06 2.38 -3.38 2.89 0.00 -1.12 -4.96 120.51 114.26 2knf n ALA 44 Ca -0.07 -1.10 -0.19 0.00 0.00 0.00 0.00 53.44 52.08 2knf n ALA 44 Cb 0.48 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 19.19 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 1.38 -0.30 3.60 0.00 0.00 -1.26 -4.88 105.19 103.74 2knf n GLY 45 Ca 0.19 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 2knf n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2knf s LEU 46 N -6.20 3.60 0.08 0.99 1.02 -1.26 -4.99 118.68 111.92 2knf s LEU 46 Ca 0.36 0.86 0.06 0.00 0.02 0.00 0.00 54.13 55.43 2knf s LEU 46 Cb -0.16 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 2knf s LEU 46 CO 0.62 -1.42 -0.17 -1.83 0.02 0.00 0.00 176.35 173.58 2knf s GLU 47 N 4.90 0.95 3.00 1.70 -1.05 -1.26 -3.98 118.70 122.96 2knf s GLU 47 Ca 0.61 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 2knf s GLU 47 Cb -0.14 -1.05 0.00 0.00 -0.44 0.00 0.00 34.13 32.51 2knf s GLU 47 CO 0.32 0.24 0.00 1.63 0.95 0.00 0.00 175.26 178.40 2knf n LYS 48 N 1.32 0.00 -0.40 -4.83 4.76 -1.26 -2.28 118.16 115.47 2knf n LYS 48 Ca -0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 2knf n LYS 48 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 2knf n LYS 48 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2knf n ASN 49 N 7.61 0.02 -4.70 4.39 6.94 -1.26 -0.78 115.26 127.48 2knf n ASN 49 Ca 0.00 -1.82 -0.42 0.00 -0.02 0.00 0.00 54.58 52.32 2knf n ASN 49 Cb 0.00 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.23 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 -0.02 2.76 0.69 -2.53 2.02 -0.96 -4.54 117.35 114.76 2knf s TYR 50 Ca 0.00 0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 57.15 2knf s TYR 50 Cb 0.00 -3.82 -0.04 0.00 -0.40 0.00 0.00 41.96 37.70 2knf s TYR 50 CO 0.00 -3.12 0.61 0.00 -1.57 0.00 0.00 175.55 171.47 2knf s ARG 52 N -2.70 1.66 -0.50 0.00 1.81 -0.49 -4.74 118.95 113.98 2knf s ARG 52 Ca 0.68 -1.20 0.05 0.00 -1.72 0.00 0.00 55.73 53.54 2knf s ARG 52 Cb -0.37 0.52 0.19 0.00 -0.45 0.00 0.00 34.95 34.84 2knf s ARG 52 CO 0.56 -0.72 0.45 -1.71 -0.68 0.00 0.00 175.30 173.20 2knf n ASN 53 N -0.49 0.89 0.05 0.23 2.85 -1.05 -0.43 115.26 117.30 2knf n ASN 53 Ca -0.02 -2.74 0.04 0.00 -0.11 0.00 0.00 54.58 51.74 2knf n ASN 53 Cb 0.61 -0.63 0.43 0.00 1.24 0.00 0.00 39.78 41.43 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 5.11 0.44 0.00 1.20 0.11 -1.91 -2.01 132.00 134.94 2knf h PRO 54 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2knf h PRO 54 Cb 0.84 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2knf h PRO 54 CO 0.52 0.34 -0.86 -0.25 -0.21 0.00 0.00 178.00 177.54 2knf n ASP 55 N -4.43 0.69 -3.44 -2.05 8.00 -1.26 -4.96 116.55 109.10 2knf n ASP 55 Ca 0.02 0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.40 2knf n ASP 55 Cb 0.11 0.45 0.09 0.00 -0.02 0.00 0.00 41.12 41.75 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 1.31 -0.38 3.61 0.44 0.00 -0.75 -4.90 105.19 104.51 2knf n GLY 56 Ca 0.02 0.12 -0.52 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.10 1.78 -1.08 1.61 -0.08 -1.26 -4.78 116.55 109.63 2knf n ASP 57 Ca -0.25 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 2knf n ASP 57 Cb 0.66 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.92 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 2.76 0.90 0.00 5.18 0.31 -1.26 -1.57 118.33 124.65 2knf n VAL 58 Ca 0.19 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2knf n VAL 58 Cb 0.19 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 0.73 0.55 0.00 2.92 0.00 -1.26 -5.11 105.19 103.03 2knf n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.24 0.90 3.83 -0.02 0.00 -0.61 -5.08 105.19 105.45 2knf n GLY 60 Ca 0.00 -2.22 -0.31 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 -0.98 2.93 0.11 1.61 0.04 -0.50 -4.46 135.00 133.75 2knf s PRO 61 Ca 0.00 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.88 2knf s PRO 61 Cb 0.00 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 2knf s PRO 61 CO 0.00 -1.07 0.13 -2.67 0.04 0.00 0.00 177.00 173.43 2knf n TRP 62 N -3.09 -0.57 -3.85 0.56 4.27 0.42 -0.83 117.44 114.35 2knf n TRP 62 Ca 0.07 -0.80 -0.03 0.00 -3.89 0.00 0.00 57.50 52.85 2knf n TRP 62 Cb 0.54 0.15 0.02 0.00 -1.36 0.00 0.00 31.31 30.66 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 -2.49 3.54 0.15 0.00 2.02 -1.26 -1.75 117.35 117.56 2knf s TYR 64 Ca 0.20 0.37 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 2knf s TYR 64 Cb -0.03 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2knf s TYR 64 CO 0.05 0.65 0.31 0.95 -1.57 0.00 0.00 175.55 175.95 2knf s THR 65 N -1.28 5.29 -0.35 -0.71 -4.23 -0.46 0.15 115.64 114.05 2knf s THR 65 Ca 0.25 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2knf s THR 65 Cb -0.12 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.21 2knf s THR 65 CO 0.17 -0.08 1.13 0.35 -0.54 0.00 0.00 174.62 175.65 2knf n THR 66 N -0.44 1.35 -3.78 3.99 -2.24 -0.15 -4.39 114.28 108.63 2knf n THR 66 Ca -0.06 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.85 2knf n THR 66 Cb 0.53 -0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 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 0.14 5.00 0.00 3.42 3.84 -1.26 -4.84 114.94 121.25 2knf s ASN 67 Ca 0.16 -0.35 0.08 0.00 0.21 0.00 0.00 52.86 52.96 2knf s ASN 67 Cb 0.13 -1.89 0.47 0.00 -0.55 0.00 0.00 41.25 39.42 2knf s ASN 67 CO 0.04 -0.07 0.88 -2.65 -2.79 0.00 0.00 177.10 172.51 2knf n PRO 68 N 4.89 0.32 -0.02 0.43 -0.02 -1.26 -2.25 135.00 137.10 2knf n PRO 68 Ca -0.16 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.13 2knf n PRO 68 Cb 0.50 -1.38 -0.13 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.16 -4.71 -0.52 2.47 -1.98 -3.48 114.38 106.33 2knf h ARG 69 Ca 0.00 -0.28 -0.29 0.00 -1.26 0.00 0.00 59.98 58.16 2knf h ARG 69 Cb 0.00 0.10 -0.20 0.00 -1.65 0.00 0.00 29.97 28.22 2knf h ARG 69 CO 0.00 1.13 -0.73 -1.59 0.56 0.00 0.00 179.97 179.34 2knf s LYS 70 N -2.39 0.64 0.02 0.04 0.00 -0.95 -5.06 119.74 112.04 2knf s LYS 70 Ca -0.20 -0.90 -0.19 0.00 0.00 0.00 0.00 55.97 54.69 2knf s LYS 70 Cb 0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 37.83 37.24 2knf s LYS 70 CO 0.74 0.06 1.10 1.25 0.00 0.00 0.00 175.35 178.50 2knf h LEU 71 N 4.17 0.62 -8.44 2.77 5.85 -1.91 -3.41 115.31 114.96 2knf h LEU 71 Ca -0.36 -0.77 -0.17 0.00 0.84 0.00 0.00 57.88 57.41 2knf h LEU 71 Cb 1.19 -0.19 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 2knf h LEU 71 CO 0.45 1.32 -0.46 -0.72 -0.34 0.00 0.00 178.44 178.70 2knf s TYR 72 N -3.16 0.86 0.34 1.25 -0.85 -1.26 -1.36 117.35 113.17 2knf s TYR 72 Ca -0.12 -1.14 -0.17 0.00 -0.52 0.00 0.00 57.07 55.12 2knf s TYR 72 Cb 0.04 -0.30 0.06 0.00 0.38 0.00 0.00 41.96 42.14 2knf s TYR 72 CO 0.85 -0.74 0.84 0.34 -1.52 0.00 0.00 175.55 175.32 2knf s ASP 73 N -3.10 -0.01 0.24 -0.18 -1.08 -0.71 -4.82 116.67 107.01 2knf s ASP 73 Ca 0.32 -1.03 -0.00 0.00 -0.52 0.00 0.00 52.55 51.32 2knf s ASP 73 Cb 0.05 0.78 -0.04 0.00 -1.46 0.00 0.00 42.92 42.24 2knf s ASP 73 CO 0.10 -1.54 0.43 -0.31 0.52 0.00 0.00 175.17 174.37 2knf s TYR 74 N -2.36 3.48 0.40 -5.34 1.51 -1.26 -1.42 117.35 112.36 2knf s TYR 74 Ca 0.16 0.32 0.08 0.00 -1.01 0.00 0.00 57.07 56.62 2knf s TYR 74 Cb -0.05 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2knf s TYR 74 CO 0.10 0.32 0.38 0.00 -1.11 0.00 0.00 175.55 175.24 2knf n ASP 76 N -1.55 4.16 -4.42 0.00 2.03 -1.25 -4.57 116.55 110.95 2knf n ASP 76 Ca 0.03 -3.43 -0.34 0.00 0.52 0.00 0.00 54.79 51.57 2knf n ASP 76 Cb 0.61 -0.77 -0.13 0.00 -0.72 0.00 0.00 41.12 40.11 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 -2.49 3.58 0.94 5.18 0.11 -1.26 -5.04 120.40 121.41 2knf s VAL 77 Ca 0.38 -0.46 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 2knf s VAL 77 Cb 0.13 -2.57 0.15 0.00 -1.53 0.00 0.00 36.38 32.55 2knf s VAL 77 CO 0.00 0.48 1.11 -0.81 -3.33 0.00 0.00 175.10 172.54 2knf n PRO 78 N 3.90 -0.57 -2.39 1.54 -0.04 -1.26 -4.49 135.00 131.69 2knf n PRO 78 Ca -0.18 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.75 2knf n PRO 78 Cb 0.52 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 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 -4.58 3.76 0.02 0.54 2.00 -1.26 -0.24 119.66 119.90 2knf s GLN 79 Ca 0.67 1.09 -0.19 0.00 -2.00 0.00 0.00 55.36 54.93 2knf s GLN 79 Cb -0.23 -3.94 -0.23 0.00 0.80 0.00 0.00 33.01 29.40 2knf s GLN 79 CO 0.59 -1.32 1.12 0.00 -0.50 0.00 0.00 175.29 175.17 2knf n ALA 81 N -2.60 7.12 0.29 0.00 0.00 -1.07 -4.98 120.51 119.27 2knf n ALA 81 Ca -0.10 -3.75 0.03 0.00 0.00 0.00 0.00 53.44 49.62 2knf n ALA 81 Cb 0.72 -3.20 0.03 0.00 0.00 0.00 0.00 19.45 16.99 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50