#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 0.33 -0.05 6.43 5.15 -1.26 -4.88 115.26 120.98 2knf n ASN -3 Ca 0.00 -0.39 -0.01 0.00 -0.60 0.00 0.00 54.58 53.59 2knf n ASN -3 Cb 0.00 -0.13 -0.00 0.00 -0.53 0.00 0.00 39.78 39.12 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 -1.10 -0.01 -1.82 5.20 0.00 -1.26 -4.91 120.51 116.61 2knf n ALA -2 Ca 0.13 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 2knf n ALA -2 Cb 0.28 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.18 7.96 -3.59 0.00 2.03 -1.26 -2.67 116.55 118.83 2knf n ASP -1 Ca -0.01 -3.05 -0.15 0.00 0.52 0.00 0.00 54.79 52.11 2knf n ASP -1 Cb 0.16 -1.38 -0.06 0.00 -0.72 0.00 0.00 41.12 39.12 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 -1.98 3.60 -0.54 0.00 0.23 0.91 -4.20 119.30 117.33 2knf s MET 2 Ca -0.08 -0.14 -0.06 0.00 -1.03 0.00 0.00 55.69 54.38 2knf s MET 2 Cb -0.01 -2.83 0.14 0.00 -1.53 0.00 0.00 34.83 30.59 2knf s MET 2 CO 0.02 0.44 0.38 -0.06 -2.03 0.00 0.00 175.02 173.77 2knf s PHE 3 N -1.73 3.49 0.00 3.16 0.40 -1.26 0.16 117.98 122.21 2knf s PHE 3 Ca 0.41 -2.26 0.00 0.00 -0.60 0.00 0.00 56.93 54.48 2knf s PHE 3 Cb -0.12 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 40.03 2knf s PHE 3 CO 0.26 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.64 2knf n GLY 4 N 4.33 1.85 0.19 4.36 0.00 -1.26 -3.33 105.19 111.33 2knf n GLY 4 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.90 -3.46 115.58 114.17 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 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.58 2knf n GLY 6 N 1.10 1.26 0.27 2.83 0.00 -1.21 -1.24 105.19 108.20 2knf n GLY 6 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.15 0.54 -0.29 1.61 1.57 -1.74 -1.85 116.57 117.57 2knf h LYS 7 Ca 0.00 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2knf h LYS 7 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2knf h LYS 7 CO 0.00 0.55 0.00 0.41 -0.57 0.00 0.00 179.45 179.84 2knf n GLY 8 N -0.90 3.94 3.56 3.86 0.00 -1.26 -4.85 105.19 109.54 2knf n GLY 8 Ca 0.02 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.83 1.59 -0.68 1.61 5.04 -0.71 -4.59 117.35 116.78 2knf s TYR 9 Ca 0.44 0.88 0.01 0.00 -2.44 0.00 0.00 57.07 55.96 2knf s TYR 9 Cb 0.35 -4.02 0.38 0.00 0.35 0.00 0.00 41.96 39.02 2knf s TYR 9 CO 0.10 -2.41 1.68 0.54 -1.34 0.00 0.00 175.55 174.12 2knf n ARG 10 N 9.08 3.01 0.00 4.97 3.00 -1.26 -4.82 116.66 130.65 2knf n ARG 10 Ca 0.23 -3.88 0.00 0.00 -0.01 0.00 0.00 57.85 54.19 2knf n ARG 10 Cb 0.52 -2.26 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 -0.54 1.70 0.70 -0.13 0.00 -1.09 -4.58 105.19 101.25 2knf n GLY 11 Ca 0.49 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -1.26 -4.81 118.16 111.52 2knf n LYS 12 Ca 0.00 -0.74 -0.41 0.00 -0.00 0.00 0.00 58.31 57.16 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 4.39 -0.02 -1.58 1.81 -1.26 -4.84 118.95 117.44 2knf s ARG 13 Ca 0.04 2.13 0.26 0.00 -1.72 0.00 0.00 55.73 56.44 2knf s ARG 13 Cb 0.05 -3.13 0.44 0.00 -0.45 0.00 0.00 34.95 31.86 2knf s ARG 13 CO -0.02 -0.20 1.16 1.33 -0.68 0.00 0.00 175.30 176.90 2knf n VAL 14 N 1.62 0.11 -3.71 3.52 0.24 -1.26 0.44 118.33 119.28 2knf n VAL 14 Ca 0.03 -1.16 -0.12 0.00 -2.04 0.00 0.00 64.34 61.05 2knf n VAL 14 Cb 0.42 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.71 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 -0.33 -0.01 0.81 3.34 2.01 -1.26 -0.24 115.64 119.96 2knf s THR 15 Ca 0.33 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 2knf s THR 15 Cb 0.38 -0.59 0.20 0.00 0.01 0.00 0.00 72.50 72.50 2knf s THR 15 CO -0.16 0.02 0.83 0.35 -0.69 0.00 0.00 174.62 174.97 2knf n THR 16 N 3.59 0.00 0.32 -0.82 -2.24 0.94 -3.95 114.28 112.12 2knf n THR 16 Ca -0.18 -0.45 0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2knf n THR 16 Cb 0.56 -1.32 0.58 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.12 0.00 0.00 2.28 -1.51 0.62 0.84 116.25 116.36 2knf h VAL 17 Ca -0.29 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2knf h VAL 17 Cb 0.87 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2knf h VAL 17 CO 0.20 0.00 -1.01 0.35 -1.23 0.00 0.00 177.57 175.88 2knf n THR 18 N -2.40 0.23 -0.73 7.19 -2.24 -1.26 -4.94 114.28 110.13 2knf n THR 18 Ca 0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2knf n THR 18 Cb 0.19 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.34 0.59 3.67 3.38 0.00 0.29 -5.04 105.19 109.41 2knf n GLY 19 Ca 0.02 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 4.56 0.12 2.61 2.01 -1.26 -4.66 115.64 117.02 2knf s THR 20 Ca 0.00 1.86 -0.35 0.00 0.31 0.00 0.00 61.69 63.51 2knf s THR 20 Cb 0.00 -4.20 -0.16 0.00 0.01 0.00 0.00 72.50 68.15 2knf s THR 20 CO 0.00 -0.11 1.29 -2.65 -0.69 0.00 0.00 174.62 172.46 2knf n PRO 21 N 5.95 1.19 -2.30 4.92 -0.02 -1.26 -0.04 135.00 143.43 2knf n PRO 21 Ca 0.12 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 2knf n PRO 21 Cb 0.46 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.83 1.26 -0.01 0.00 0.74 0.41 -4.73 119.66 116.51 2knf s GLN 23 Ca 0.51 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 56.32 2knf s GLN 23 Cb -0.35 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.90 2knf s GLN 23 CO 0.42 -2.21 1.15 -0.51 -0.55 0.00 0.00 175.29 173.59 2knf s ASP 24 N -3.56 7.12 0.49 6.67 1.01 -1.26 -4.41 116.67 122.74 2knf s ASP 24 Ca 0.63 1.85 0.22 0.00 0.71 0.00 0.00 52.55 55.96 2knf s ASP 24 Cb -0.17 -2.57 1.28 0.00 1.01 0.00 0.00 42.92 42.47 2knf s ASP 24 CO 0.56 -0.48 1.96 -0.50 0.21 0.00 0.00 175.17 176.92 2knf h TRP 25 N 7.09 0.17 0.00 4.23 4.06 -1.59 0.32 115.95 130.23 2knf h TRP 25 Ca -0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 2knf h TRP 25 Cb 1.19 -0.05 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 0.00 178.44 175.64 2knf h ALA 26 N 1.69 1.00 -2.79 1.49 0.00 -1.88 -3.38 119.26 115.40 2knf h ALA 26 Ca 0.30 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.60 2knf h ALA 26 Cb 1.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2knf h ALA 26 CO -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 179.25 178.79 2knf s ALA 27 N -3.20 3.90 -0.79 0.00 0.00 0.11 -4.96 121.76 116.81 2knf s ALA 27 Ca 0.08 -0.68 0.16 0.00 0.00 0.00 0.00 51.96 51.52 2knf s ALA 27 Cb 0.10 -1.99 0.54 0.00 0.00 0.00 0.00 23.12 21.77 2knf s ALA 27 CO 0.59 0.73 1.46 1.04 0.00 0.00 0.00 175.76 179.58 2knf n GLN 28 N 0.54 3.27 -3.79 0.00 1.13 -1.26 -4.56 117.38 112.71 2knf n GLN 28 Ca -0.07 -2.63 -0.13 0.00 -1.94 0.00 0.00 57.00 52.24 2knf n GLN 28 Cb 0.52 -1.70 -0.10 0.00 0.11 0.00 0.00 30.24 29.07 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 -1.88 0.48 0.00 -1.09 2.02 -1.26 -0.71 118.70 116.26 2knf s GLU 29 Ca 0.40 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.41 2knf s GLU 29 Cb 0.27 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.72 2knf s GLU 29 CO 0.17 -0.11 0.47 -2.30 0.02 0.00 0.00 175.26 173.52 2knf n PRO 30 N 2.04 0.90 -3.79 0.39 -0.02 -1.26 -4.75 135.00 128.51 2knf n PRO 30 Ca -0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 2knf n PRO 30 Cb 0.57 -1.43 -0.16 0.00 -0.02 0.00 0.00 33.50 32.46 2knf n PRO 30 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2knf s HIS 31 N -0.95 1.55 -0.28 6.00 3.76 -1.20 -5.02 115.29 119.16 2knf s HIS 31 Ca 0.00 -1.30 -0.29 0.00 -0.15 0.00 0.00 55.06 53.32 2knf s HIS 31 Cb 0.00 -1.34 -0.00 0.00 1.11 0.00 0.00 32.58 32.35 2knf s HIS 31 CO 0.00 -0.72 1.34 1.03 -0.85 0.00 0.00 174.74 175.55 2knf s ARG 32 N 1.68 3.92 -0.31 1.40 3.00 0.12 -4.17 118.95 124.59 2knf s ARG 32 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 55.73 57.07 2knf s ARG 32 Cb -0.18 -3.89 0.14 0.00 0.00 0.00 0.00 34.95 31.02 2knf s ARG 32 CO -0.11 -1.12 0.31 -3.38 0.00 0.00 0.00 175.30 171.00 2knf s HIS 33 N 4.43 -0.42 0.00 -0.53 -3.43 -1.26 -4.97 115.29 109.11 2knf s HIS 33 Ca 0.58 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 2knf s HIS 33 Cb -0.18 -0.46 0.00 0.00 -1.43 0.00 0.00 32.58 30.51 2knf s HIS 33 CO 0.23 -0.93 1.18 0.43 -2.00 0.00 0.00 174.74 173.66 2knf n SER 34 N 5.10 3.37 -3.91 7.38 7.64 -1.26 -4.73 113.62 127.20 2knf n SER 34 Ca 0.01 -1.95 -0.11 0.00 1.01 0.00 0.00 58.87 57.83 2knf n SER 34 Cb 0.46 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 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 0.13 0.07 -1.43 0.44 -4.36 -1.26 -4.82 121.20 109.97 2knf s ILE 35 Ca 0.00 -0.58 -0.04 0.00 -0.26 0.00 0.00 60.65 59.77 2knf s ILE 35 Cb 0.00 -0.27 0.03 0.00 1.25 0.00 0.00 42.46 43.47 2knf s ILE 35 CO 0.00 -0.32 0.59 0.49 0.24 0.00 0.00 174.94 175.94 2knf n PHE 36 N 1.98 -1.79 -3.03 1.37 3.72 -1.26 -5.01 117.46 113.44 2knf n PHE 36 Ca -0.20 0.79 -0.18 0.00 -0.05 0.00 0.00 57.45 57.81 2knf n PHE 36 Cb 0.56 -3.82 0.04 0.00 -0.94 0.00 0.00 39.48 35.32 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 -3.74 2.54 -0.17 4.37 -4.23 -1.26 -4.76 115.64 108.39 2knf s THR 37 Ca 0.17 -1.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.95 2knf s THR 37 Cb -0.09 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.50 2knf s THR 37 CO 0.87 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 176.12 2knf h PRO 38 N 0.40 0.00 0.05 3.99 0.11 -1.78 -0.96 132.00 133.81 2knf h PRO 38 Ca -0.35 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.44 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 0.43 0.00 -1.89 0.39 -0.21 0.00 0.00 178.00 176.72 2knf n GLU 39 N -2.49 0.69 0.06 1.05 -0.58 -1.26 -3.62 120.64 114.48 2knf n GLU 39 Ca 0.00 0.26 0.10 0.00 -0.42 0.00 0.00 57.16 57.11 2knf n GLU 39 Cb 0.17 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 29.23 2knf n GLU 39 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2knf n THR 40 N -3.21 0.42 -3.19 2.62 -2.24 -1.16 -4.51 114.28 103.02 2knf n THR 40 Ca -0.25 -0.54 -0.23 0.00 -2.27 0.00 0.00 64.05 60.76 2knf n THR 40 Cb 1.05 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.53 1.71 -0.79 3.42 4.13 -0.37 -4.89 115.26 115.93 2knf n ASN 41 Ca -0.02 -3.09 0.00 0.00 1.68 0.00 0.00 54.58 53.15 2knf n ASN 41 Cb 0.58 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 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 0.90 -0.00 3.52 -0.04 -1.24 -3.01 135.00 135.79 2knf n PRO 42 Ca 0.25 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.74 2knf n PRO 42 Cb 0.53 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.34 3.64 -0.03 0.54 1.85 -1.26 -4.63 116.66 117.11 2knf n ARG 43 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 57.85 56.86 2knf n ARG 43 Cb 0.35 -0.86 0.04 0.00 -1.05 0.00 0.00 32.46 30.94 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 -1.30 2.31 -3.25 2.89 0.00 -1.17 -5.00 120.51 114.99 2knf n ALA 44 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.51 2knf n ALA 44 Cb 0.09 -0.17 0.06 0.00 0.00 0.00 0.00 19.45 19.43 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 0.12 -0.14 3.55 0.00 0.00 -1.26 -4.89 105.19 102.57 2knf n GLY 45 Ca 0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.52 3.27 0.08 0.99 1.02 -1.26 -4.96 118.68 112.31 2knf s LEU 46 Ca 0.36 0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.77 2knf s LEU 46 Cb -0.16 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 2knf s LEU 46 CO 0.53 -2.34 -0.03 -0.70 0.02 0.00 0.00 176.35 173.84 2knf s GLU 47 N 6.91 2.47 2.03 1.70 2.12 -1.26 -4.18 118.70 128.48 2knf s GLU 47 Ca 0.64 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 55.12 2knf s GLU 47 Cb -0.12 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2knf s GLU 47 CO 0.19 0.55 0.00 1.63 -0.54 0.00 0.00 175.26 177.09 2knf n LYS 48 N 0.76 0.00 -0.31 4.30 4.76 -1.26 -1.10 118.16 125.32 2knf n LYS 48 Ca -0.12 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.34 2knf n LYS 48 Cb 0.52 0.00 0.02 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 6.66 0.50 -4.71 4.39 6.94 -1.26 -1.58 115.26 126.20 2knf n ASN 49 Ca 0.00 -2.00 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 2knf n ASN 49 Cb 0.00 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 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 -0.53 2.97 0.57 -2.53 2.02 -0.25 -4.56 117.35 115.03 2knf s TYR 50 Ca 0.05 0.66 -0.19 0.00 -0.37 0.00 0.00 57.07 57.23 2knf s TYR 50 Cb 0.05 -3.85 -0.06 0.00 -0.40 0.00 0.00 41.96 37.69 2knf s TYR 50 CO 0.01 -3.17 0.88 0.00 -1.57 0.00 0.00 175.55 171.70 2knf s ARG 52 N -2.53 1.04 -0.65 0.00 1.81 -0.28 -4.69 118.95 113.65 2knf s ARG 52 Ca 0.73 -0.49 0.05 0.00 -1.72 0.00 0.00 55.73 54.29 2knf s ARG 52 Cb -0.44 0.47 0.16 0.00 -0.45 0.00 0.00 34.95 34.69 2knf s ARG 52 CO 0.50 -0.39 0.45 1.21 -0.68 0.00 0.00 175.30 176.38 2knf s ASN 53 N -2.41 4.38 0.55 0.23 3.84 -1.14 -0.98 114.94 119.42 2knf s ASN 53 Ca -0.01 -3.65 0.29 0.00 0.21 0.00 0.00 52.86 49.70 2knf s ASN 53 Cb 0.00 -1.49 1.60 0.00 -0.55 0.00 0.00 41.25 40.82 2knf s ASN 53 CO -0.07 -0.11 2.14 -0.65 -2.79 0.00 0.00 177.10 175.61 2knf h PRO 54 N 5.58 0.00 0.00 0.43 0.11 -1.93 -2.05 132.00 134.15 2knf h PRO 54 Ca 0.13 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.03 2knf h PRO 54 Cb 0.79 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 2knf h PRO 54 CO 0.67 0.08 -1.42 0.22 -0.21 0.00 0.00 178.00 177.33 2knf h ASP 55 N 0.00 0.00 -4.95 -2.05 3.58 -1.97 -3.48 116.42 107.55 2knf h ASP 55 Ca -0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.11 2knf h ASP 55 Cb 0.22 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.38 2knf h ASP 55 CO 0.01 0.75 -0.56 0.61 -2.88 0.00 0.00 179.24 177.16 2knf n GLY 56 N 1.44 -0.30 3.52 -0.78 0.00 -0.77 -4.94 105.19 103.35 2knf n GLY 56 Ca -0.11 0.10 -0.53 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.24 0.45 0.00 1.61 -0.08 -1.26 -4.80 116.55 110.23 2knf n ASP 57 Ca -0.00 1.14 0.04 0.00 -1.51 0.00 0.00 54.79 54.46 2knf n ASP 57 Cb 0.55 -1.06 0.21 0.00 2.34 0.00 0.00 41.12 43.16 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 1.37 0.00 0.18 5.18 0.31 -1.26 -1.43 118.33 122.68 2knf n VAL 58 Ca 0.18 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.62 2knf n VAL 58 Cb 0.18 -0.43 -0.16 0.00 -0.91 0.00 0.00 33.84 32.52 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 0.06 -1.01 0.00 2.92 0.00 -1.26 -5.01 105.19 100.90 2knf n GLY 59 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.30 0.95 3.79 -0.02 0.00 -0.52 -5.05 105.19 105.65 2knf n GLY 60 Ca -0.02 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.04 2.74 0.03 1.61 0.04 -0.38 -4.58 135.00 133.42 2knf s PRO 61 Ca 0.00 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2knf s PRO 61 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2knf s PRO 61 CO 0.00 -1.28 0.04 -2.67 0.04 0.00 0.00 177.00 173.14 2knf n TRP 62 N -2.86 -0.42 -3.84 0.56 4.27 -0.15 -0.98 117.44 114.02 2knf n TRP 62 Ca 0.09 -0.23 -0.03 0.00 -3.89 0.00 0.00 57.50 53.45 2knf n TRP 62 Cb 0.53 0.05 0.02 0.00 -1.36 0.00 0.00 31.31 30.54 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 -2.62 3.53 0.08 0.00 2.02 -1.26 -1.77 117.35 117.33 2knf s TYR 64 Ca 0.20 0.38 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 2knf s TYR 64 Cb -0.02 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 2knf s TYR 64 CO 0.05 0.66 0.18 0.95 -1.57 0.00 0.00 175.55 175.81 2knf s THR 65 N -1.23 5.10 -0.12 -0.71 -4.23 -0.67 0.16 115.64 113.93 2knf s THR 65 Ca 0.24 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 2knf s THR 65 Cb -0.12 -3.50 0.12 0.00 1.34 0.00 0.00 72.50 70.34 2knf s THR 65 CO 0.14 0.10 1.61 0.35 -0.54 0.00 0.00 174.62 176.28 2knf n THR 66 N 0.23 1.92 -4.34 3.99 -2.24 -0.56 -4.53 114.28 108.76 2knf n THR 66 Ca -0.06 -0.73 -0.34 0.00 -2.27 0.00 0.00 64.05 60.65 2knf n THR 66 Cb 0.52 -1.15 -0.15 0.00 -2.10 0.00 0.00 70.33 67.44 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 0.82 3.77 0.00 3.42 3.84 -1.26 -4.94 114.94 120.59 2knf s ASN 67 Ca 0.13 -0.46 0.14 0.00 0.21 0.00 0.00 52.86 52.89 2knf s ASN 67 Cb 0.11 -1.60 0.83 0.00 -0.55 0.00 0.00 41.25 40.04 2knf s ASN 67 CO 0.01 0.06 1.31 -2.65 -2.79 0.00 0.00 177.10 173.03 2knf n PRO 68 N 4.27 0.40 0.08 0.43 -0.02 -1.26 -2.68 135.00 136.21 2knf n PRO 68 Ca -0.19 0.04 -0.20 0.00 -2.02 0.00 0.00 63.50 61.12 2knf n PRO 68 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.35 -3.46 -0.52 2.47 -1.97 -3.47 114.38 107.78 2knf h ARG 69 Ca 0.00 -0.60 -0.18 0.00 -1.26 0.00 0.00 59.98 57.94 2knf h ARG 69 Cb 0.03 0.22 -0.25 0.00 -1.65 0.00 0.00 29.97 28.33 2knf h ARG 69 CO 0.00 1.25 -0.55 -1.59 0.56 0.00 0.00 179.97 179.64 2knf s LYS 70 N -2.60 0.26 0.16 0.04 0.00 -1.09 -5.04 119.74 111.46 2knf s LYS 70 Ca -0.12 -0.00 -0.07 0.00 0.00 0.00 0.00 55.97 55.78 2knf s LYS 70 Cb 0.06 0.11 0.02 0.00 0.00 0.00 0.00 37.83 38.02 2knf s LYS 70 CO 0.87 -0.05 1.47 1.25 0.00 0.00 0.00 175.35 178.89 2knf h LEU 71 N 5.42 0.80 -8.06 2.77 5.85 -1.90 -3.40 115.31 116.78 2knf h LEU 71 Ca -0.27 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 57.92 2knf h LEU 71 Cb 1.20 -0.23 -0.14 0.00 0.37 0.00 0.00 40.66 41.86 2knf h LEU 71 CO 0.42 1.17 -0.52 -0.72 -0.34 0.00 0.00 178.44 178.45 2knf s TYR 72 N -4.09 0.38 0.34 1.25 1.13 -1.26 -1.67 117.35 113.43 2knf s TYR 72 Ca -0.09 -0.85 -0.13 0.00 -1.41 0.00 0.00 57.07 54.58 2knf s TYR 72 Cb 0.11 -0.23 0.03 0.00 -1.10 0.00 0.00 41.96 40.77 2knf s TYR 72 CO 0.86 -0.49 0.66 0.34 -2.51 0.00 0.00 175.55 174.42 2knf s ASP 73 N -2.91 0.15 0.28 -0.18 -1.08 -0.73 -4.84 116.67 107.36 2knf s ASP 73 Ca 0.08 -1.10 -0.01 0.00 -0.52 0.00 0.00 52.55 51.00 2knf s ASP 73 Cb 0.06 0.75 -0.04 0.00 -1.46 0.00 0.00 42.92 42.23 2knf s ASP 73 CO -0.09 -1.47 0.49 -0.31 0.52 0.00 0.00 175.17 174.32 2knf s TYR 74 N -2.99 3.49 0.35 -5.34 2.02 -1.26 -1.22 117.35 112.40 2knf s TYR 74 Ca 0.19 0.43 0.07 0.00 -0.37 0.00 0.00 57.07 57.39 2knf s TYR 74 Cb -0.04 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2knf s TYR 74 CO 0.12 0.23 0.32 0.00 -1.57 0.00 0.00 175.55 174.65 2knf n ASP 76 N -1.42 4.74 -4.70 0.00 5.75 -1.25 -4.61 116.55 115.06 2knf n ASP 76 Ca -0.01 -3.68 -0.42 0.00 -0.01 0.00 0.00 54.79 50.68 2knf n ASP 76 Cb 0.60 -0.85 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 2knf n ASP 76 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2knf s VAL 77 N -3.75 4.87 0.92 2.12 0.11 -1.26 -5.02 120.40 118.39 2knf s VAL 77 Ca 0.58 1.88 -0.11 0.00 -2.93 0.00 0.00 61.98 61.40 2knf s VAL 77 Cb 0.48 -4.24 0.15 0.00 -1.53 0.00 0.00 36.38 31.24 2knf s VAL 77 CO 0.06 0.10 1.12 -2.16 -3.33 0.00 0.00 175.10 170.89 2knf s PRO 78 N 1.54 0.96 -0.32 1.54 0.04 -1.26 -4.55 135.00 132.95 2knf s PRO 78 Ca 0.46 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2knf s PRO 78 Cb -0.19 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2knf s PRO 78 CO 0.20 -2.60 1.34 -1.14 0.04 0.00 0.00 177.00 174.84 2knf s GLN 79 N -4.68 3.84 0.07 4.56 2.00 -1.26 -0.06 119.66 124.13 2knf s GLN 79 Ca 0.66 1.21 -0.14 0.00 -2.00 0.00 0.00 55.36 55.08 2knf s GLN 79 Cb -0.22 -3.92 -0.24 0.00 0.80 0.00 0.00 33.01 29.44 2knf s GLN 79 CO 0.58 -1.22 1.18 0.00 -0.50 0.00 0.00 175.29 175.34 2knf n ALA 81 N -2.65 6.48 0.17 0.00 0.00 -1.12 -4.98 120.51 118.41 2knf n ALA 81 Ca -0.11 -2.00 0.02 0.00 0.00 0.00 0.00 53.44 51.35 2knf n ALA 81 Cb 0.88 -2.43 0.02 0.00 0.00 0.00 0.00 19.45 17.92 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50