#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 0.85 -0.91 6.43 5.15 -1.26 -4.95 115.26 120.57 2knf n ASN -3 Ca 0.00 -0.79 -0.12 0.00 -0.60 0.00 0.00 54.58 53.07 2knf n ASN -3 Cb 0.00 0.97 -0.05 0.00 -0.53 0.00 0.00 39.78 40.17 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 -1.57 -0.18 -1.65 5.20 0.00 -1.26 -4.90 120.51 116.14 2knf n ALA -2 Ca 0.03 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 2knf n ALA -2 Cb 0.35 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 0.09 8.04 -3.53 0.00 2.03 -1.26 -2.96 116.55 118.97 2knf n ASP -1 Ca -0.12 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.16 2knf n ASP -1 Cb 0.39 -1.43 -0.04 0.00 -0.72 0.00 0.00 41.12 39.32 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 -2.99 3.53 -0.48 0.00 0.23 0.11 -3.92 119.30 115.78 2knf s MET 2 Ca -0.02 -0.31 -0.02 0.00 -1.03 0.00 0.00 55.69 54.31 2knf s MET 2 Cb -0.00 -2.81 0.13 0.00 -1.53 0.00 0.00 34.83 30.61 2knf s MET 2 CO -0.06 0.37 0.27 -0.06 -2.03 0.00 0.00 175.02 173.51 2knf s PHE 3 N -1.91 3.52 0.00 3.16 0.40 -1.26 0.14 117.98 122.03 2knf s PHE 3 Ca 0.39 -2.59 0.00 0.00 -0.60 0.00 0.00 56.93 54.13 2knf s PHE 3 Cb -0.11 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.24 2knf s PHE 3 CO 0.29 -0.92 0.00 0.41 0.70 0.00 0.00 175.22 175.71 2knf n GLY 4 N 4.14 1.95 0.19 4.36 0.00 -1.26 -3.17 105.19 111.39 2knf n GLY 4 Ca 0.02 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.61 2knf n GLY 6 N 1.14 1.29 0.23 2.83 0.00 -1.19 -1.39 105.19 108.09 2knf n GLY 6 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 1.70 0.20 -0.24 1.61 1.57 -1.73 -1.72 116.57 117.96 2knf h LYS 7 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2knf h LYS 7 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2knf h LYS 7 CO 0.00 0.39 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 2knf n GLY 8 N -0.76 4.03 3.60 3.86 0.00 -1.26 -4.77 105.19 109.90 2knf n GLY 8 Ca -0.01 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.74 1.84 -0.40 1.61 5.04 -0.66 -4.41 117.35 117.64 2knf s TYR 9 Ca 0.40 0.60 0.05 0.00 -2.44 0.00 0.00 57.07 55.69 2knf s TYR 9 Cb 0.33 -4.12 0.44 0.00 0.35 0.00 0.00 41.96 38.95 2knf s TYR 9 CO 0.09 -2.97 1.22 0.54 -1.34 0.00 0.00 175.55 173.09 2knf n ARG 10 N 8.33 3.45 0.00 4.97 5.12 -1.25 -4.81 116.66 132.47 2knf n ARG 10 Ca 0.22 -4.27 0.00 0.00 -1.93 0.00 0.00 57.85 51.88 2knf n ARG 10 Cb 0.46 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.50 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 -0.60 1.76 0.25 -0.13 0.00 -1.15 -4.56 105.19 100.75 2knf n GLY 11 Ca 0.43 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.04 -1.98 1.61 2.85 -1.26 -4.74 118.16 114.68 2knf n LYS 12 Ca 0.00 -0.78 -0.41 0.00 -1.05 0.00 0.00 58.31 56.06 2knf n LYS 12 Cb 0.00 -0.52 -0.02 0.00 -0.65 0.00 0.00 35.03 33.84 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 -0.04 4.25 -0.20 -1.58 1.81 -1.26 -4.77 118.95 117.16 2knf s ARG 13 Ca 0.00 2.34 0.20 0.00 -1.72 0.00 0.00 55.73 56.55 2knf s ARG 13 Cb 0.00 -3.09 0.48 0.00 -0.45 0.00 0.00 34.95 31.89 2knf s ARG 13 CO 0.00 -0.43 1.15 1.33 -0.68 0.00 0.00 175.30 176.67 2knf n VAL 14 N 2.07 1.30 -3.73 3.52 0.24 -1.26 0.75 118.33 121.21 2knf n VAL 14 Ca 0.06 -2.76 -0.13 0.00 -2.04 0.00 0.00 64.34 59.47 2knf n VAL 14 Cb 0.40 0.65 -0.10 0.00 -1.47 0.00 0.00 33.84 33.32 2knf n VAL 14 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2knf s THR 15 N -3.06 -0.00 0.00 3.34 -1.32 -1.26 -1.61 115.64 111.72 2knf s THR 15 Ca 0.34 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2knf s THR 15 Cb 0.36 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.77 2knf s THR 15 CO -0.06 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.70 2knf n THR 16 N 2.86 0.00 0.29 5.08 -2.24 0.26 -3.75 114.28 116.79 2knf n THR 16 Ca -0.13 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.83 2knf n THR 16 Cb 0.57 -1.52 0.84 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.21 0.14 0.00 2.28 -1.51 0.94 -0.25 116.25 116.63 2knf h VAL 17 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 2knf h VAL 17 Cb 0.00 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 2knf h VAL 17 CO 0.00 0.03 -0.86 0.35 -1.23 0.00 0.00 177.57 175.87 2knf n THR 18 N -3.21 0.15 -0.93 7.19 -2.24 -1.26 -4.93 114.28 109.05 2knf n THR 18 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2knf n THR 18 Cb 0.23 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.40 0.47 3.66 3.38 0.00 -0.11 -5.03 105.19 108.96 2knf n GLY 19 Ca 0.03 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 4.36 0.21 2.61 2.01 -1.26 -4.61 115.64 116.96 2knf s THR 20 Ca 0.00 1.63 -0.31 0.00 0.31 0.00 0.00 61.69 63.31 2knf s THR 20 Cb 0.00 -4.10 -0.15 0.00 0.01 0.00 0.00 72.50 68.26 2knf s THR 20 CO 0.00 -0.20 1.15 -2.65 -0.69 0.00 0.00 174.62 172.23 2knf n PRO 21 N 6.64 1.31 -2.59 4.92 -0.02 -1.26 -0.57 135.00 143.42 2knf n PRO 21 Ca 0.14 0.46 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 2knf n PRO 21 Cb 0.45 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.90 1.35 0.01 0.00 0.74 0.40 -4.60 119.66 115.66 2knf s GLN 23 Ca 0.50 0.74 -0.30 0.00 0.05 0.00 0.00 55.36 56.35 2knf s GLN 23 Cb -0.25 -1.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.99 2knf s GLN 23 CO 0.32 -2.16 1.11 0.34 -0.55 0.00 0.00 175.29 174.35 2knf s ASP 24 N -3.54 7.19 0.50 6.67 -1.08 -1.26 -4.33 116.67 120.82 2knf s ASP 24 Ca 0.63 1.82 0.18 0.00 -0.52 0.00 0.00 52.55 54.66 2knf s ASP 24 Cb -0.17 -2.57 1.24 0.00 -1.46 0.00 0.00 42.92 39.96 2knf s ASP 24 CO 0.56 -0.41 2.07 -0.50 0.52 0.00 0.00 175.17 177.41 2knf h TRP 25 N 6.94 0.11 0.00 -5.34 4.06 -1.07 0.19 115.95 120.83 2knf h TRP 25 Ca -0.39 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.56 2knf h TRP 25 Cb 1.20 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2knf h TRP 25 CO 0.69 0.06 0.00 0.00 -3.56 0.00 0.00 178.44 175.63 2knf h ALA 26 N 1.85 1.00 -2.71 1.49 0.00 -1.88 -3.37 119.26 115.64 2knf h ALA 26 Ca 0.13 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.46 2knf h ALA 26 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2knf h ALA 26 CO -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.93 2knf s ALA 27 N -3.24 3.79 -0.42 0.00 0.00 0.68 -4.94 121.76 117.62 2knf s ALA 27 Ca 0.07 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2knf s ALA 27 Cb 0.08 -2.14 0.60 0.00 0.00 0.00 0.00 23.12 21.66 2knf s ALA 27 CO 0.61 0.66 1.78 1.04 0.00 0.00 0.00 175.76 179.86 2knf n GLN 28 N 0.15 2.21 -3.68 0.00 1.13 -1.26 -4.57 117.38 111.37 2knf n GLN 28 Ca -0.03 -3.12 -0.13 0.00 -1.94 0.00 0.00 57.00 51.78 2knf n GLN 28 Cb 0.52 -2.09 -0.13 0.00 0.11 0.00 0.00 30.24 28.65 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 -3.35 0.19 -0.15 -1.09 2.02 -1.26 -1.15 118.70 113.91 2knf s GLU 29 Ca 0.54 0.73 0.01 0.00 0.02 0.00 0.00 54.97 56.28 2knf s GLU 29 Cb 0.46 -0.01 0.23 0.00 0.10 0.00 0.00 34.13 34.91 2knf s GLU 29 CO 0.06 -0.25 1.31 -0.35 0.02 0.00 0.00 175.26 176.05 2knf n PRO 30 N 5.04 1.44 -3.81 0.39 -0.04 -1.26 -4.66 135.00 132.11 2knf n PRO 30 Ca -0.12 -1.03 -0.29 0.00 -0.04 0.00 0.00 63.50 62.02 2knf n PRO 30 Cb 0.51 -1.41 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.14 1.72 -0.04 0.54 3.76 -1.08 -4.98 115.29 114.07 2knf s HIS 31 Ca 0.19 -1.42 -0.30 0.00 -0.15 0.00 0.00 55.06 53.39 2knf s HIS 31 Cb 0.16 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 2knf s HIS 31 CO 0.04 -0.73 1.24 -0.98 -0.85 0.00 0.00 174.74 173.45 2knf s ARG 32 N 1.62 4.34 -0.31 1.40 3.03 -0.30 -4.12 118.95 124.61 2knf s ARG 32 Ca 0.00 1.73 0.04 0.00 2.03 0.00 0.00 55.73 59.53 2knf s ARG 32 Cb -0.18 -3.55 0.17 0.00 -1.03 0.00 0.00 34.95 30.36 2knf s ARG 32 CO -0.11 -0.47 0.49 -3.38 -1.13 0.00 0.00 175.30 170.70 2knf s HIS 33 N 2.22 -1.31 0.00 5.89 -3.43 -1.26 -4.98 115.29 112.42 2knf s HIS 33 Ca 0.57 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 55.30 2knf s HIS 33 Cb -0.26 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 2knf s HIS 33 CO 0.23 -1.04 1.35 0.43 -2.00 0.00 0.00 174.74 173.71 2knf n SER 34 N 5.18 3.81 -3.90 7.38 7.64 -1.26 -4.71 113.62 127.76 2knf n SER 34 Ca 0.04 -2.12 -0.11 0.00 1.01 0.00 0.00 58.87 57.69 2knf n SER 34 Cb 0.51 -0.72 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 2knf n SER 34 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2knf s ILE 35 N 0.03 0.06 -1.35 0.44 -4.36 -1.26 -4.84 121.20 109.92 2knf s ILE 35 Ca 0.00 -0.50 -0.02 0.00 -0.26 0.00 0.00 60.65 59.87 2knf s ILE 35 Cb 0.00 -0.25 -0.00 0.00 1.25 0.00 0.00 42.46 43.45 2knf s ILE 35 CO 0.00 -0.27 0.53 0.49 0.24 0.00 0.00 174.94 175.93 2knf n PHE 36 N 2.11 -1.75 -3.00 1.37 3.72 -1.26 -5.01 117.46 113.64 2knf n PHE 36 Ca -0.19 0.74 -0.20 0.00 -0.05 0.00 0.00 57.45 57.76 2knf n PHE 36 Cb 0.57 -3.90 0.06 0.00 -0.94 0.00 0.00 39.48 35.27 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 -3.83 2.23 0.52 4.37 -4.23 -1.26 -4.78 115.64 108.66 2knf s THR 37 Ca 0.05 -0.97 0.18 0.00 -1.18 0.00 0.00 61.69 59.77 2knf s THR 37 Cb -0.02 -2.26 0.27 0.00 1.34 0.00 0.00 72.50 71.84 2knf s THR 37 CO 0.86 0.00 2.14 -0.65 -0.54 0.00 0.00 174.62 176.44 2knf h PRO 38 N 0.18 0.00 0.01 3.99 0.11 -1.76 -2.30 132.00 132.23 2knf h PRO 38 Ca -0.31 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.50 2knf h PRO 38 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 2knf h PRO 38 CO 0.41 0.02 -1.78 0.39 -0.21 0.00 0.00 178.00 176.83 2knf n GLU 39 N -4.40 0.64 0.11 1.05 -0.58 -1.26 -3.24 120.64 112.97 2knf n GLU 39 Ca -0.03 0.27 0.12 0.00 -0.42 0.00 0.00 57.16 57.10 2knf n GLU 39 Cb 0.11 -1.77 0.02 0.00 -0.57 0.00 0.00 31.44 29.23 2knf n GLU 39 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2knf h THR 40 N 0.00 0.00 -2.07 2.62 1.35 -1.93 -3.40 112.91 109.49 2knf h THR 40 Ca -0.32 -0.99 -0.56 0.00 -0.55 0.00 0.00 66.41 64.00 2knf h THR 40 Cb 2.03 1.54 -0.40 0.00 -1.73 0.00 0.00 68.15 69.59 2knf h THR 40 CO 0.07 0.00 -0.97 0.59 -0.25 0.00 0.00 175.52 174.96 2knf n ASN 41 N -2.71 1.45 0.00 5.36 4.13 -0.87 -4.90 115.26 117.72 2knf n ASN 41 Ca 0.00 -3.00 0.00 0.00 1.68 0.00 0.00 54.58 53.26 2knf n ASN 41 Cb 0.55 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 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 0.93 0.76 -0.01 3.52 -0.04 -1.20 -2.96 135.00 136.00 2knf n PRO 42 Ca 0.25 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.73 2knf n PRO 42 Cb 0.52 -1.00 -0.13 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.50 0.65 -0.03 0.54 1.85 -1.26 -4.20 116.66 113.71 2knf n ARG 43 Ca 0.00 -0.01 0.08 0.00 -1.00 0.00 0.00 57.85 56.92 2knf n ARG 43 Cb 0.00 -1.63 0.09 0.00 -1.05 0.00 0.00 32.46 29.87 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 -2.41 2.45 -3.14 2.89 0.00 -1.16 -4.98 120.51 114.16 2knf n ALA 44 Ca -0.12 -0.70 -0.14 0.00 0.00 0.00 0.00 53.44 52.48 2knf n ALA 44 Cb 0.79 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 19.74 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 0.91 -0.10 3.55 0.00 0.00 -1.25 -4.86 105.19 103.45 2knf n GLY 45 Ca 0.10 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.22 3.25 0.02 0.99 1.02 -1.26 -4.97 118.68 112.51 2knf s LEU 46 Ca 0.22 0.08 0.08 0.00 0.02 0.00 0.00 54.13 54.53 2knf s LEU 46 Cb -0.10 -2.54 -0.03 0.00 0.02 0.00 0.00 46.19 43.55 2knf s LEU 46 CO 0.51 -2.20 -0.24 -1.83 0.02 0.00 0.00 176.35 172.61 2knf s GLU 47 N 6.62 2.00 4.76 1.70 -1.05 -1.26 -3.71 118.70 127.76 2knf s GLU 47 Ca 0.57 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 2knf s GLU 47 Cb -0.11 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 2knf s GLU 47 CO 0.19 0.54 0.00 1.63 0.95 0.00 0.00 175.26 178.57 2knf n LYS 48 N 1.95 0.00 -0.31 -4.83 4.76 -1.26 -2.40 118.16 116.07 2knf n LYS 48 Ca -0.17 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.29 2knf n LYS 48 Cb 0.52 0.00 0.03 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 7.87 0.53 -4.71 4.39 6.94 -1.26 -0.47 115.26 128.54 2knf n ASN 49 Ca 0.00 -2.03 -0.42 0.00 -0.02 0.00 0.00 54.58 52.11 2knf n ASN 49 Cb 0.00 -0.20 -0.03 0.00 -2.36 0.00 0.00 39.78 37.19 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 -0.57 3.20 0.72 -2.53 2.02 -1.01 -4.58 117.35 114.59 2knf s TYR 50 Ca 0.06 0.90 -0.16 0.00 -0.37 0.00 0.00 57.07 57.50 2knf s TYR 50 Cb 0.05 -3.71 -0.01 0.00 -0.40 0.00 0.00 41.96 37.89 2knf s TYR 50 CO 0.01 -2.51 0.83 0.00 -1.57 0.00 0.00 175.55 172.30 2knf s ARG 52 N -3.16 1.69 -0.57 0.00 1.81 -0.50 -4.69 118.95 113.53 2knf s ARG 52 Ca 0.71 -1.08 0.05 0.00 -1.72 0.00 0.00 55.73 53.69 2knf s ARG 52 Cb -0.35 0.56 0.19 0.00 -0.45 0.00 0.00 34.95 34.90 2knf s ARG 52 CO 0.53 -0.75 0.49 -1.71 -0.68 0.00 0.00 175.30 173.18 2knf n ASN 53 N -0.43 1.77 0.10 0.23 2.85 -1.15 -0.14 115.26 118.50 2knf n ASN 53 Ca -0.03 -2.94 0.11 0.00 -0.11 0.00 0.00 54.58 51.61 2knf n ASN 53 Cb 0.60 -0.67 0.45 0.00 1.24 0.00 0.00 39.78 41.40 2knf n ASN 53 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2knf n PRO 54 N 1.98 0.16 -0.00 1.20 -0.04 -1.26 -1.38 135.00 135.66 2knf n PRO 54 Ca 0.25 0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 64.07 2knf n PRO 54 Cb 0.42 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 2knf n PRO 54 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2knf n ASP 55 N -2.08 0.55 -3.20 3.54 -0.08 -1.26 -4.97 116.55 109.05 2knf n ASP 55 Ca 0.03 0.24 -0.21 0.00 -1.51 0.00 0.00 54.79 53.35 2knf n ASP 55 Cb 0.23 0.60 0.07 0.00 2.34 0.00 0.00 41.12 44.36 2knf n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2knf n GLY 56 N 1.46 -0.35 3.58 0.27 0.00 -0.48 -4.94 105.19 104.73 2knf n GLY 56 Ca -0.14 0.13 -0.49 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.47 1.41 0.00 1.61 2.03 -1.26 -4.80 116.55 113.07 2knf n ASP 57 Ca -0.01 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.48 2knf n ASP 57 Cb 0.56 -1.22 0.23 0.00 -0.72 0.00 0.00 41.12 39.98 2knf n ASP 57 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2knf n VAL 58 N 1.64 0.00 -0.02 5.18 0.31 -1.26 -1.57 118.33 122.61 2knf n VAL 58 Ca 0.15 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.54 2knf n VAL 58 Cb 0.24 -0.38 -0.15 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.18 -1.05 0.00 2.92 0.00 -1.26 -4.96 105.19 101.01 2knf n GLY 59 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.36 0.93 3.82 -0.02 0.00 -0.61 -5.05 105.19 105.62 2knf n GLY 60 Ca -0.10 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.00 3.22 0.00 1.61 0.04 -0.48 -4.55 135.00 133.84 2knf s PRO 61 Ca 0.00 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2knf s PRO 61 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2knf s PRO 61 CO 0.00 -0.88 0.00 -2.67 0.04 0.00 0.00 177.00 173.49 2knf n TRP 62 N -2.57 -0.40 -3.79 0.56 4.27 0.80 -0.25 117.44 116.06 2knf n TRP 62 Ca 0.08 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.66 2knf n TRP 62 Cb 0.53 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 30.50 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 -3.03 3.54 -0.03 0.00 2.02 -1.26 -1.82 117.35 116.76 2knf s TYR 64 Ca 0.17 0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 57.19 2knf s TYR 64 Cb -0.02 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2knf s TYR 64 CO 0.04 0.64 0.17 0.95 -1.57 0.00 0.00 175.55 175.79 2knf s THR 65 N -1.32 5.43 -1.22 -0.71 -4.23 -0.47 0.15 115.64 113.28 2knf s THR 65 Ca 0.27 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2knf s THR 65 Cb -0.13 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2knf s THR 65 CO 0.18 0.37 0.56 0.35 -0.54 0.00 0.00 174.62 175.55 2knf n THR 66 N 1.09 0.00 -3.76 3.99 -2.24 -0.28 -4.49 114.28 108.60 2knf n THR 66 Ca -0.12 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 2knf n THR 66 Cb 0.53 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.30 5.19 0.00 3.42 2.47 -1.26 -4.85 114.94 119.62 2knf s ASN 67 Ca 0.00 -0.19 0.05 0.00 0.42 0.00 0.00 52.86 53.14 2knf s ASN 67 Cb 0.00 -1.93 0.28 0.00 -1.45 0.00 0.00 41.25 38.15 2knf s ASN 67 CO 0.00 -0.03 0.66 -2.65 -3.72 0.00 0.00 177.10 171.36 2knf n PRO 68 N 4.87 0.30 0.06 0.43 -0.02 -1.26 -2.12 135.00 137.25 2knf n PRO 68 Ca -0.16 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.10 2knf n PRO 68 Cb 0.51 -1.25 -0.15 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.34 -4.76 -0.52 2.47 -1.96 -3.48 114.38 106.47 2knf h ARG 69 Ca 0.00 -0.58 -0.27 0.00 -1.26 0.00 0.00 59.98 57.87 2knf h ARG 69 Cb 0.00 0.21 -0.17 0.00 -1.65 0.00 0.00 29.97 28.36 2knf h ARG 69 CO 0.00 1.28 -0.72 -1.59 0.56 0.00 0.00 179.97 179.50 2knf s LYS 70 N -2.48 0.79 -0.09 0.04 -2.85 -0.90 -5.06 119.74 109.18 2knf s LYS 70 Ca -0.15 -1.17 -0.20 0.00 -1.00 0.00 0.00 55.97 53.45 2knf s LYS 70 Cb 0.03 -0.36 -0.28 0.00 -2.06 0.00 0.00 37.83 35.16 2knf s LYS 70 CO 0.84 0.03 0.70 1.25 0.10 0.00 0.00 175.35 178.27 2knf h LEU 71 N 3.46 0.35 -8.24 2.77 5.85 -1.89 -3.40 115.31 114.21 2knf h LEU 71 Ca -0.36 -0.89 -0.14 0.00 0.84 0.00 0.00 57.88 57.33 2knf h LEU 71 Cb 1.18 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 2knf h LEU 71 CO 0.56 1.46 -0.49 -0.72 -0.34 0.00 0.00 178.44 178.91 2knf s TYR 72 N -2.42 0.61 0.26 1.25 1.13 -1.26 -1.37 117.35 115.54 2knf s TYR 72 Ca -0.18 -0.99 -0.22 0.00 -1.41 0.00 0.00 57.07 54.28 2knf s TYR 72 Cb 0.02 -0.27 0.03 0.00 -1.10 0.00 0.00 41.96 40.64 2knf s TYR 72 CO 0.77 -0.61 0.74 0.34 -2.51 0.00 0.00 175.55 174.29 2knf s ASP 73 N -3.00 -0.27 0.30 -0.18 2.15 -0.76 -4.83 116.67 110.09 2knf s ASP 73 Ca 0.19 -0.55 -0.04 0.00 0.43 0.00 0.00 52.55 52.59 2knf s ASP 73 Cb 0.05 0.70 -0.05 0.00 -0.30 0.00 0.00 42.92 43.32 2knf s ASP 73 CO -0.00 -1.28 0.55 -0.31 -0.17 0.00 0.00 175.17 173.96 2knf s TYR 74 N -3.84 3.49 0.39 -5.34 1.51 -1.26 -1.22 117.35 111.07 2knf s TYR 74 Ca 0.11 0.57 0.08 0.00 -1.01 0.00 0.00 57.07 56.81 2knf s TYR 74 Cb -0.05 -2.05 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2knf s TYR 74 CO 0.05 0.16 0.41 0.00 -1.11 0.00 0.00 175.55 175.07 2knf n ASP 76 N -1.58 4.81 -4.63 0.00 2.03 -1.25 -4.55 116.55 111.38 2knf n ASP 76 Ca 0.03 -3.58 -0.34 0.00 0.52 0.00 0.00 54.79 51.42 2knf n ASP 76 Cb 0.60 -0.75 -0.10 0.00 -0.72 0.00 0.00 41.12 40.16 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 -3.60 4.68 0.76 5.18 0.11 -1.26 -5.04 120.40 121.23 2knf s VAL 77 Ca 0.43 -0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 59.26 2knf s VAL 77 Cb 0.20 -3.10 0.06 0.00 -1.53 0.00 0.00 36.38 32.01 2knf s VAL 77 CO -0.07 0.48 1.21 -2.16 -3.33 0.00 0.00 175.10 171.23 2knf s PRO 78 N 0.26 1.92 -0.44 1.54 0.04 -1.26 -4.50 135.00 132.56 2knf s PRO 78 Ca 0.03 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 2knf s PRO 78 Cb -0.12 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.62 2knf s PRO 78 CO 0.01 -2.00 1.38 -1.14 0.04 0.00 0.00 177.00 175.29 2knf s GLN 79 N -3.99 3.55 0.06 4.56 2.00 -1.26 0.05 119.66 124.63 2knf s GLN 79 Ca 0.74 0.84 -0.17 0.00 -2.00 0.00 0.00 55.36 54.77 2knf s GLN 79 Cb -0.29 -4.03 -0.16 0.00 0.80 0.00 0.00 33.01 29.33 2knf s GLN 79 CO 0.48 -1.60 1.27 0.00 -0.50 0.00 0.00 175.29 174.93 2knf n ALA 81 N -2.54 5.10 1.67 0.00 0.00 -1.04 -5.00 120.51 118.70 2knf n ALA 81 Ca -0.07 -4.78 0.15 0.00 0.00 0.00 0.00 53.44 48.74 2knf n ALA 81 Cb 0.59 -2.02 0.67 0.00 0.00 0.00 0.00 19.45 18.69 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50