#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 0.35 -0.54 4.04 5.15 -1.26 -4.88 115.26 118.12 2knf n ASN -3 Ca 0.00 0.55 -0.07 0.00 -0.60 0.00 0.00 54.58 54.46 2knf n ASN -3 Cb 0.00 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 38.58 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 -1.63 -0.11 -1.55 5.20 0.00 -1.26 -4.87 120.51 116.29 2knf n ALA -2 Ca 0.05 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 2knf n ALA -2 Cb 0.32 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.35 6.67 -3.67 0.00 2.03 -1.26 -2.27 116.55 117.69 2knf n ASP -1 Ca -0.07 -3.19 -0.13 0.00 0.52 0.00 0.00 54.79 51.92 2knf n ASP -1 Cb 0.38 -1.25 -0.07 0.00 -0.72 0.00 0.00 41.12 39.46 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 -2.30 3.56 -0.50 0.00 0.23 0.11 -4.16 119.30 116.23 2knf s MET 2 Ca -0.06 -0.22 -0.02 0.00 -1.03 0.00 0.00 55.69 54.36 2knf s MET 2 Cb -0.01 -2.74 0.13 0.00 -1.53 0.00 0.00 34.83 30.68 2knf s MET 2 CO -0.01 0.30 0.30 -0.06 -2.03 0.00 0.00 175.02 173.52 2knf s PHE 3 N -2.01 3.50 0.00 3.16 0.40 -1.26 0.16 117.98 121.93 2knf s PHE 3 Ca 0.41 -2.61 0.00 0.00 -0.60 0.00 0.00 56.93 54.12 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 0.30 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 175.73 2knf n GLY 4 N 4.03 1.58 0.14 4.36 0.00 -1.26 -3.16 105.19 110.88 2knf n GLY 4 Ca 0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.53 0.00 1.61 4.21 -1.91 -3.46 115.58 116.55 2knf h ASN 5 Ca 0.00 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 57.03 2knf h ASN 5 Cb 0.00 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.03 2knf h ASN 5 CO 0.00 1.32 0.00 0.61 -1.29 0.00 0.00 177.43 178.07 2knf n GLY 6 N 1.22 1.54 0.20 2.83 0.00 -1.19 -2.15 105.19 107.64 2knf n GLY 6 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 0.34 0.45 -0.46 1.61 1.57 -1.77 -2.28 116.57 116.03 2knf h LYS 7 Ca 0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2knf h LYS 7 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2knf h LYS 7 CO 0.00 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 2knf n GLY 8 N 0.17 3.39 3.60 3.86 0.00 -1.26 -4.76 105.19 110.20 2knf n GLY 8 Ca -0.03 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.79 1.74 -0.51 1.61 5.04 -0.87 -4.66 117.35 116.91 2knf s TYR 9 Ca 0.50 0.61 0.04 0.00 -2.44 0.00 0.00 57.07 55.77 2knf s TYR 9 Cb 0.39 -4.11 0.41 0.00 0.35 0.00 0.00 41.96 39.00 2knf s TYR 9 CO 0.13 -3.10 1.35 0.54 -1.34 0.00 0.00 175.55 173.14 2knf n ARG 10 N 8.46 3.28 0.00 4.97 5.12 -1.21 -4.82 116.66 132.46 2knf n ARG 10 Ca 0.24 -4.20 0.00 0.00 -1.93 0.00 0.00 57.85 51.96 2knf n ARG 10 Cb 0.46 -2.26 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 -0.55 1.87 0.19 -0.13 0.00 -0.96 -4.44 105.19 101.17 2knf n GLY 11 Ca 0.44 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.06 1.61 2.85 -1.26 -4.76 118.16 114.54 2knf n LYS 12 Ca 0.00 -0.63 -0.41 0.00 -1.05 0.00 0.00 58.31 56.22 2knf n LYS 12 Cb 0.00 -0.46 -0.02 0.00 -0.65 0.00 0.00 35.03 33.90 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 4.31 -0.17 -1.58 1.81 -1.26 -4.79 118.95 117.26 2knf s ARG 13 Ca 0.00 2.26 0.22 0.00 -1.72 0.00 0.00 55.73 56.49 2knf s ARG 13 Cb 0.00 -3.09 0.47 0.00 -0.45 0.00 0.00 34.95 31.88 2knf s ARG 13 CO 0.00 -0.31 1.14 1.33 -0.68 0.00 0.00 175.30 176.78 2knf n VAL 14 N 1.56 0.99 -3.74 3.52 0.24 -1.26 0.83 118.33 120.46 2knf n VAL 14 Ca 0.03 -2.39 -0.13 0.00 -2.04 0.00 0.00 64.34 59.81 2knf n VAL 14 Cb 0.41 0.93 -0.09 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.56 0.03 0.46 3.34 -4.23 -1.26 -1.13 115.64 110.30 2knf s THR 15 Ca 0.32 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 2knf s THR 15 Cb 0.35 -0.60 0.11 0.00 1.34 0.00 0.00 72.50 73.71 2knf s THR 15 CO -0.08 -0.16 0.50 0.35 -0.54 0.00 0.00 174.62 174.69 2knf n THR 16 N 1.83 0.00 0.31 3.99 -2.24 0.71 -4.20 114.28 114.67 2knf n THR 16 Ca -0.18 -0.29 0.16 0.00 -2.27 0.00 0.00 64.05 61.46 2knf n THR 16 Cb 0.57 -1.42 0.71 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.70 0.00 0.00 2.28 -1.51 0.64 -0.87 116.25 115.09 2knf h VAL 17 Ca -0.17 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2knf h VAL 17 Cb 0.51 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2knf h VAL 17 CO 0.12 0.00 -0.93 0.35 -1.23 0.00 0.00 177.57 175.87 2knf n THR 18 N -2.67 0.21 -0.51 7.19 -2.24 -1.26 -4.93 114.28 110.07 2knf n THR 18 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2knf n THR 18 Cb 0.19 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.74 3.66 3.38 0.00 -0.33 -5.04 105.19 108.96 2knf n GLY 19 Ca 0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 4.31 -0.18 2.61 2.01 -1.26 -4.63 115.64 116.50 2knf s THR 20 Ca 0.00 1.57 -0.40 0.00 0.31 0.00 0.00 61.69 63.17 2knf s THR 20 Cb 0.00 -4.05 -0.17 0.00 0.01 0.00 0.00 72.50 68.29 2knf s THR 20 CO 0.00 -0.18 1.53 -2.65 -0.69 0.00 0.00 174.62 172.63 2knf n PRO 21 N 6.66 0.83 -2.05 4.92 -0.02 -1.26 -0.21 135.00 143.88 2knf n PRO 21 Ca 0.14 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 2knf n PRO 21 Cb 0.45 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.69 1.07 -0.04 0.00 0.74 0.39 -4.75 119.66 116.38 2knf s GLN 23 Ca 0.57 0.89 -0.30 0.00 0.05 0.00 0.00 55.36 56.56 2knf s GLN 23 Cb -0.41 -1.78 -0.03 0.00 1.10 0.00 0.00 33.01 31.89 2knf s GLN 23 CO 0.45 -2.39 1.09 0.34 -0.55 0.00 0.00 175.29 174.24 2knf s ASP 24 N -3.29 7.19 0.50 6.67 -1.08 -1.26 -4.40 116.67 121.00 2knf s ASP 24 Ca 0.64 1.72 0.19 0.00 -0.52 0.00 0.00 52.55 54.58 2knf s ASP 24 Cb -0.19 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 39.95 2knf s ASP 24 CO 0.58 -0.45 2.05 -0.50 0.52 0.00 0.00 175.17 177.37 2knf h TRP 25 N 7.09 0.12 0.00 -5.34 4.06 -1.61 0.24 115.95 120.52 2knf h TRP 25 Ca -0.36 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.59 2knf h TRP 25 Cb 1.18 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2knf h TRP 25 CO 0.70 0.06 0.00 0.00 -3.56 0.00 0.00 178.44 175.65 2knf h ALA 26 N 1.82 1.00 -2.74 1.49 0.00 -1.88 -3.37 119.26 115.58 2knf h ALA 26 Ca 0.16 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.49 2knf h ALA 26 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2knf h ALA 26 CO -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.84 2knf s ALA 27 N -3.22 3.89 -0.46 0.00 0.00 0.85 -4.96 121.76 117.85 2knf s ALA 27 Ca 0.07 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2knf s ALA 27 Cb 0.08 -1.97 0.56 0.00 0.00 0.00 0.00 23.12 21.79 2knf s ALA 27 CO 0.62 0.67 1.80 1.04 0.00 0.00 0.00 175.76 179.89 2knf n GLN 28 N -0.03 2.38 -3.67 0.00 1.13 -1.26 -4.59 117.38 111.34 2knf n GLN 28 Ca -0.04 -3.22 -0.15 0.00 -1.94 0.00 0.00 57.00 51.65 2knf n GLN 28 Cb 0.52 -2.14 -0.15 0.00 0.11 0.00 0.00 30.24 28.59 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 -3.46 0.09 -0.16 -1.09 2.02 -1.26 -1.76 118.70 113.07 2knf s GLU 29 Ca 0.56 0.64 0.02 0.00 0.02 0.00 0.00 54.97 56.21 2knf s GLU 29 Cb 0.47 -0.17 0.28 0.00 0.10 0.00 0.00 34.13 34.81 2knf s GLU 29 CO 0.05 -0.29 1.29 -0.35 0.02 0.00 0.00 175.26 175.97 2knf n PRO 30 N 5.28 1.71 -3.88 0.39 -0.04 -1.26 -4.63 135.00 132.56 2knf n PRO 30 Ca -0.06 -1.20 -0.30 0.00 -0.04 0.00 0.00 63.50 61.90 2knf n PRO 30 Cb 0.50 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.39 2.08 -0.19 0.54 3.76 -1.06 -5.05 115.29 113.99 2knf s HIS 31 Ca 0.22 -1.58 -0.29 0.00 -0.15 0.00 0.00 55.06 53.26 2knf s HIS 31 Cb 0.19 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.36 2knf s HIS 31 CO 0.05 -0.75 1.37 -0.98 -0.85 0.00 0.00 174.74 173.58 2knf s ARG 32 N 1.50 4.10 -0.29 1.40 1.04 -0.72 -4.07 118.95 121.91 2knf s ARG 32 Ca -0.04 1.65 0.01 0.00 -1.04 0.00 0.00 55.73 56.31 2knf s ARG 32 Cb -0.18 -3.85 0.15 0.00 -2.04 0.00 0.00 34.95 29.02 2knf s ARG 32 CO -0.08 -0.89 0.34 -3.38 -0.04 0.00 0.00 175.30 171.26 2knf s HIS 33 N 3.97 -0.69 -0.04 5.89 -3.43 -1.26 -4.98 115.29 114.75 2knf s HIS 33 Ca 0.60 0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.89 2knf s HIS 33 Cb -0.23 -0.34 0.06 0.00 -1.43 0.00 0.00 32.58 30.64 2knf s HIS 33 CO 0.20 -0.95 1.12 0.43 -2.00 0.00 0.00 174.74 173.55 2knf n SER 34 N 5.33 3.19 -3.92 7.38 7.64 -1.26 -4.74 113.62 127.23 2knf n SER 34 Ca -0.01 -2.16 -0.10 0.00 1.01 0.00 0.00 58.87 57.61 2knf n SER 34 Cb 0.48 -0.56 -0.11 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.29 0.08 -1.38 0.44 -4.36 -1.26 -4.84 121.20 109.59 2knf s ILE 35 Ca 0.05 -0.64 -0.03 0.00 -0.26 0.00 0.00 60.65 59.77 2knf s ILE 35 Cb 0.04 -0.26 0.02 0.00 1.25 0.00 0.00 42.46 43.52 2knf s ILE 35 CO 0.01 -0.35 0.71 0.49 0.24 0.00 0.00 174.94 176.04 2knf n PHE 36 N 1.92 -1.95 -3.04 1.37 3.72 -1.26 -5.01 117.46 113.20 2knf n PHE 36 Ca -0.21 0.84 -0.19 0.00 -0.05 0.00 0.00 57.45 57.84 2knf n PHE 36 Cb 0.56 -4.17 0.04 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 -3.63 2.45 0.04 4.37 -4.23 -1.26 -4.81 115.64 108.57 2knf s THR 37 Ca 0.16 -1.01 0.32 0.00 -1.18 0.00 0.00 61.69 59.98 2knf s THR 37 Cb -0.08 -2.46 0.33 0.00 1.34 0.00 0.00 72.50 71.64 2knf s THR 37 CO 0.83 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 176.21 2knf h PRO 38 N 0.36 0.00 0.13 3.99 0.11 -1.77 -0.30 132.00 134.52 2knf h PRO 38 Ca -0.34 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.43 2knf h PRO 38 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2knf h PRO 38 CO 0.43 0.00 -1.83 0.93 -0.21 0.00 0.00 178.00 177.32 2knf h GLU 39 N 0.00 0.28 0.00 1.05 5.08 -1.93 -3.20 114.58 115.86 2knf h GLU 39 Ca 0.00 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 2knf h GLU 39 Cb 0.24 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2knf h GLU 39 CO 0.00 1.16 -1.23 0.25 -1.00 0.00 0.00 179.01 178.20 2knf n THR 40 N -3.47 0.89 -3.24 1.13 -2.24 -1.15 -4.46 114.28 101.74 2knf n THR 40 Ca -0.26 -0.62 -0.24 0.00 -2.27 0.00 0.00 64.05 60.66 2knf n THR 40 Cb 1.06 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.77 1.63 0.00 3.42 4.13 -0.14 -4.87 115.26 116.66 2knf n ASN 41 Ca -0.05 -3.03 0.04 0.00 1.68 0.00 0.00 54.58 53.22 2knf n ASN 41 Cb 0.69 -0.64 0.23 0.00 -1.54 0.00 0.00 39.78 38.52 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 0.96 0.60 -0.05 3.52 -0.04 -1.21 -2.99 135.00 135.79 2knf n PRO 42 Ca 0.25 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.68 2knf n PRO 42 Cb 0.50 -1.20 -0.15 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 -0.70 0.67 -0.18 0.54 1.85 -1.26 -4.26 116.66 113.31 2knf n ARG 43 Ca 0.06 0.02 0.12 0.00 -1.00 0.00 0.00 57.85 57.04 2knf n ARG 43 Cb 0.03 -1.60 0.22 0.00 -1.05 0.00 0.00 32.46 30.06 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 -2.56 2.43 -3.43 2.89 0.00 -1.16 -4.95 120.51 113.72 2knf n ALA 44 Ca -0.21 -0.97 -0.19 0.00 0.00 0.00 0.00 53.44 52.08 2knf n ALA 44 Cb 0.96 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 19.61 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 1.50 -0.38 3.57 0.00 0.00 -1.26 -4.84 105.19 103.77 2knf n GLY 45 Ca 0.19 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.48 3.20 -0.00 0.99 1.02 -1.26 -4.92 118.68 111.22 2knf s LEU 46 Ca 0.21 -1.09 -0.01 0.00 0.02 0.00 0.00 54.13 53.25 2knf s LEU 46 Cb -0.09 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 2knf s LEU 46 CO 0.70 -2.65 0.13 -0.70 0.02 0.00 0.00 176.35 173.84 2knf s GLU 47 N 6.55 3.23 1.09 1.70 2.12 -1.26 -4.13 118.70 127.99 2knf s GLU 47 Ca 0.67 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.58 2knf s GLU 47 Cb -0.04 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.39 2knf s GLU 47 CO 0.03 0.66 0.00 1.63 -0.54 0.00 0.00 175.26 177.03 2knf n LYS 48 N 1.06 0.00 -0.68 4.30 4.01 -1.26 -0.58 118.16 125.01 2knf n LYS 48 Ca -0.12 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.69 2knf n LYS 48 Cb 0.53 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.06 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 5.08 0.34 -4.71 4.39 6.94 -1.26 -1.58 115.26 124.46 2knf n ASN 49 Ca 0.00 -2.08 -0.42 0.00 -0.02 0.00 0.00 54.58 52.06 2knf n ASN 49 Cb 0.00 -0.24 -0.03 0.00 -2.36 0.00 0.00 39.78 37.15 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 -0.20 3.09 0.54 -2.53 2.02 0.25 -4.54 117.35 115.98 2knf s TYR 50 Ca 0.09 0.88 -0.20 0.00 -0.37 0.00 0.00 57.07 57.47 2knf s TYR 50 Cb 0.10 -3.69 -0.08 0.00 -0.40 0.00 0.00 41.96 37.89 2knf s TYR 50 CO -0.03 -2.47 0.77 0.00 -1.57 0.00 0.00 175.55 172.25 2knf s ARG 52 N -2.24 1.31 -0.60 0.00 1.81 0.21 -4.66 118.95 114.77 2knf s ARG 52 Ca 0.69 -0.90 0.05 0.00 -1.72 0.00 0.00 55.73 53.86 2knf s ARG 52 Cb -0.47 0.49 0.19 0.00 -0.45 0.00 0.00 34.95 34.71 2knf s ARG 52 CO 0.53 -0.54 0.52 -1.71 -0.68 0.00 0.00 175.30 173.42 2knf n ASN 53 N -0.31 2.15 0.19 0.23 2.85 -1.13 -0.13 115.26 119.13 2knf n ASN 53 Ca -0.10 -3.03 0.14 0.00 -0.11 0.00 0.00 54.58 51.48 2knf n ASN 53 Cb 0.63 -0.68 0.56 0.00 1.24 0.00 0.00 39.78 41.52 2knf n ASN 53 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2knf h PRO 54 N 5.06 0.00 0.00 1.20 0.13 -1.91 -1.69 132.00 134.78 2knf h PRO 54 Ca 0.18 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.09 2knf h PRO 54 Cb 0.78 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 2knf h PRO 54 CO 0.64 0.00 -1.55 -0.25 -0.23 0.00 0.00 178.00 176.62 2knf n ASP 55 N -2.60 0.87 -2.99 1.44 8.00 -1.26 -4.98 116.55 115.03 2knf n ASP 55 Ca 0.02 0.40 -0.16 0.00 0.71 0.00 0.00 54.79 55.75 2knf n ASP 55 Cb 0.27 0.06 0.07 0.00 -0.02 0.00 0.00 41.12 41.50 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 1.47 -0.23 3.67 0.44 0.00 -0.63 -4.95 105.19 104.95 2knf n GLY 56 Ca -0.13 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.54 2.63 -0.32 1.61 -0.08 -1.26 -4.82 116.55 111.76 2knf n ASP 57 Ca -0.15 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 2knf n ASP 57 Cb 0.61 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.65 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 1.57 0.00 -0.01 5.18 0.31 -1.26 -1.61 118.33 122.50 2knf n VAL 58 Ca 0.11 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.51 2knf n VAL 58 Cb 0.32 -0.29 -0.13 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.17 -0.78 0.00 2.92 0.00 -1.26 -5.04 105.19 101.20 2knf n GLY 59 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.59 1.62 3.77 -0.02 0.00 -0.63 -5.07 105.19 106.45 2knf n GLY 60 Ca -0.05 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.40 2.31 0.00 1.61 0.04 -0.92 -4.53 135.00 132.11 2knf s PRO 61 Ca 0.00 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2knf s PRO 61 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2knf s PRO 61 CO 0.00 -1.60 0.00 -2.67 0.04 0.00 0.00 177.00 172.77 2knf n TRP 62 N -3.48 -0.39 -3.85 0.56 4.27 0.82 -1.50 117.44 113.86 2knf n TRP 62 Ca 0.09 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.67 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 -2.46 3.54 -0.03 0.00 2.02 -1.26 -1.66 117.35 117.50 2knf s TYR 64 Ca 0.21 0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 57.23 2knf s TYR 64 Cb -0.03 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2knf s TYR 64 CO 0.05 0.64 0.09 0.95 -1.57 0.00 0.00 175.55 175.72 2knf s THR 65 N -1.34 4.87 -1.26 -0.71 -4.23 -0.23 0.15 115.64 112.89 2knf s THR 65 Ca 0.28 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2knf s THR 65 Cb -0.13 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2knf s THR 65 CO 0.19 0.40 0.63 0.35 -0.54 0.00 0.00 174.62 175.65 2knf n THR 66 N 1.33 0.00 -3.39 3.99 -2.24 -0.75 -4.63 114.28 108.59 2knf n THR 66 Ca -0.14 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 2knf n THR 66 Cb 0.53 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.27 6.42 0.00 3.42 3.84 -1.26 -4.83 114.94 122.26 2knf s ASN 67 Ca 0.00 0.50 0.08 0.00 0.21 0.00 0.00 52.86 53.65 2knf s ASN 67 Cb 0.00 -2.23 0.47 0.00 -0.55 0.00 0.00 41.25 38.94 2knf s ASN 67 CO 0.00 -0.08 0.90 -0.81 -2.79 0.00 0.00 177.10 174.32 2knf n PRO 68 N 4.53 0.45 -0.06 0.43 -0.04 -1.26 -2.75 135.00 136.30 2knf n PRO 68 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 2knf n PRO 68 Cb 0.51 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 2knf n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2knf h ARG 69 N 0.00 0.00 -5.95 0.54 2.47 -1.96 -3.49 114.38 105.99 2knf h ARG 69 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 2knf h ARG 69 Cb 0.00 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.18 2knf h ARG 69 CO 0.00 0.17 -0.74 -1.59 0.56 0.00 0.00 179.97 178.38 2knf s LYS 70 N -1.96 1.60 -0.13 0.04 -2.85 -1.11 -5.06 119.74 110.28 2knf s LYS 70 Ca -0.10 -1.75 -0.18 0.00 -1.00 0.00 0.00 55.97 52.94 2knf s LYS 70 Cb 0.01 -1.55 -0.26 0.00 -2.06 0.00 0.00 37.83 33.98 2knf s LYS 70 CO 0.20 0.24 0.51 1.25 0.10 0.00 0.00 175.35 177.66 2knf h LEU 71 N 2.31 0.28 -8.02 2.77 5.85 -1.89 -3.41 115.31 113.20 2knf h LEU 71 Ca -0.40 -0.81 -0.11 0.00 0.84 0.00 0.00 57.88 57.41 2knf h LEU 71 Cb 1.25 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 42.04 2knf h LEU 71 CO 0.62 1.54 -0.53 -0.72 -0.34 0.00 0.00 178.44 179.01 2knf s TYR 72 N -2.43 0.33 0.29 1.25 1.13 -1.26 -1.06 117.35 115.59 2knf s TYR 72 Ca -0.21 -0.80 -0.14 0.00 -1.41 0.00 0.00 57.07 54.51 2knf s TYR 72 Cb 0.04 -0.22 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 2knf s TYR 72 CO 0.73 -0.45 0.58 0.34 -2.51 0.00 0.00 175.55 174.24 2knf s ASP 73 N -2.80 0.02 0.29 -0.18 2.15 -0.66 -4.86 116.67 110.63 2knf s ASP 73 Ca 0.05 -0.96 -0.04 0.00 0.43 0.00 0.00 52.55 52.03 2knf s ASP 73 Cb 0.06 0.67 -0.05 0.00 -0.30 0.00 0.00 42.92 43.30 2knf s ASP 73 CO -0.10 -1.29 0.55 -0.31 -0.17 0.00 0.00 175.17 173.84 2knf s TYR 74 N -3.61 3.48 0.45 -5.34 1.51 -1.26 -1.23 117.35 111.35 2knf s TYR 74 Ca 0.20 0.58 0.08 0.00 -1.01 0.00 0.00 57.07 56.91 2knf s TYR 74 Cb -0.03 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2knf s TYR 74 CO 0.10 0.17 0.45 0.00 -1.11 0.00 0.00 175.55 175.17 2knf n ASP 76 N -1.69 5.04 -4.72 0.00 2.03 -1.26 -4.64 116.55 111.31 2knf n ASP 76 Ca 0.05 -3.67 -0.36 0.00 0.52 0.00 0.00 54.79 51.33 2knf n ASP 76 Cb 0.62 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 40.24 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 -4.26 5.35 0.88 5.18 0.11 -1.26 -5.07 120.40 121.32 2knf s VAL 77 Ca 0.46 0.39 -0.10 0.00 -2.93 0.00 0.00 61.98 59.80 2knf s VAL 77 Cb 0.25 -3.56 0.12 0.00 -1.53 0.00 0.00 36.38 31.66 2knf s VAL 77 CO -0.12 0.40 1.13 -2.16 -3.33 0.00 0.00 175.10 171.02 2knf s PRO 78 N 0.51 1.31 -0.37 1.54 0.04 -1.26 -4.47 135.00 132.31 2knf s PRO 78 Ca 0.13 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 2knf s PRO 78 Cb -0.12 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2knf s PRO 78 CO 0.02 -2.39 1.37 -1.14 0.04 0.00 0.00 177.00 174.90 2knf s GLN 79 N -4.72 3.70 0.05 4.56 2.00 -1.26 0.06 119.66 124.05 2knf s GLN 79 Ca 0.65 1.05 -0.16 0.00 -2.00 0.00 0.00 55.36 54.90 2knf s GLN 79 Cb -0.21 -3.97 -0.21 0.00 0.80 0.00 0.00 33.01 29.41 2knf s GLN 79 CO 0.58 -1.40 1.18 0.00 -0.50 0.00 0.00 175.29 175.15 2knf n ALA 81 N -2.61 6.89 1.12 0.00 0.00 -1.02 -4.99 120.51 119.91 2knf n ALA 81 Ca -0.10 -2.97 0.12 0.00 0.00 0.00 0.00 53.44 50.50 2knf n ALA 81 Cb 0.75 -2.74 0.20 0.00 0.00 0.00 0.00 19.45 17.66 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50