#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 1.33 0.00 6.43 5.15 -1.26 -4.89 115.26 122.02 2knf n ASN -3 Ca 0.00 -1.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 2knf n ASN -3 Cb 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 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 -0.35 0.00 -1.54 5.20 0.00 -1.26 -4.92 120.51 117.64 2knf n ALA -2 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 2knf n ALA -2 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.05 6.98 -3.52 0.00 2.03 -1.26 -2.65 116.55 118.08 2knf n ASP -1 Ca 0.00 -2.72 -0.18 0.00 0.52 0.00 0.00 54.79 52.41 2knf n ASP -1 Cb 0.02 -1.58 -0.06 0.00 -0.72 0.00 0.00 41.12 38.79 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 -1.22 3.52 -0.51 0.00 0.23 0.78 -4.06 119.30 118.03 2knf s MET 2 Ca -0.10 -0.35 -0.03 0.00 -1.03 0.00 0.00 55.69 54.17 2knf s MET 2 Cb -0.00 -2.85 0.13 0.00 -1.53 0.00 0.00 34.83 30.58 2knf s MET 2 CO 0.09 0.41 0.32 -0.06 -2.03 0.00 0.00 175.02 173.76 2knf s PHE 3 N -1.84 3.50 0.00 3.16 0.40 -1.26 0.16 117.98 122.09 2knf s PHE 3 Ca 0.38 -2.52 0.00 0.00 -0.60 0.00 0.00 56.93 54.19 2knf s PHE 3 Cb -0.11 -3.23 0.00 0.00 0.51 0.00 0.00 43.02 40.18 2knf s PHE 3 CO 0.29 -0.91 0.00 0.41 0.70 0.00 0.00 175.22 175.70 2knf n GLY 4 N 4.10 1.70 0.07 4.36 0.00 -1.26 -3.31 105.19 110.85 2knf n GLY 4 Ca 0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 -3.46 115.58 114.18 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 0.94 0.00 0.61 -1.65 0.00 0.00 177.43 177.33 2knf n GLY 6 N 1.22 1.37 0.24 2.83 0.00 -1.21 -1.51 105.19 108.14 2knf n GLY 6 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.49 0.79 -0.68 1.61 1.57 -1.78 -2.23 116.57 116.35 2knf h LYS 7 Ca 0.00 -0.12 -0.31 0.00 -1.87 0.00 0.00 60.65 58.35 2knf h LYS 7 Cb 0.00 -0.14 -0.18 0.00 0.08 0.00 0.00 32.23 31.99 2knf h LYS 7 CO 0.00 0.65 0.29 0.41 -0.57 0.00 0.00 179.45 180.23 2knf n GLY 8 N -0.91 4.42 3.58 3.86 0.00 -1.26 -4.74 105.19 110.14 2knf n GLY 8 Ca 0.03 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.18 1.76 -0.54 1.61 5.04 -0.86 -4.65 117.35 116.53 2knf s TYR 9 Ca 0.52 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.89 2knf s TYR 9 Cb 0.44 -4.11 0.44 0.00 0.35 0.00 0.00 41.96 39.08 2knf s TYR 9 CO 0.08 -2.61 1.64 0.54 -1.34 0.00 0.00 175.55 173.86 2knf n ARG 10 N 8.73 3.10 0.00 4.97 5.12 -1.25 -4.84 116.66 132.50 2knf n ARG 10 Ca 0.22 -3.76 0.00 0.00 -1.93 0.00 0.00 57.85 52.37 2knf n ARG 10 Cb 0.49 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 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 -0.74 1.44 0.33 -0.13 0.00 -1.08 -4.47 105.19 100.53 2knf n GLY 11 Ca 0.52 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.08 1.61 2.85 -1.26 -4.83 118.16 114.45 2knf n LYS 12 Ca 0.00 -0.49 -0.41 0.00 -1.05 0.00 0.00 58.31 56.36 2knf n LYS 12 Cb 0.00 -0.30 -0.02 0.00 -0.65 0.00 0.00 35.03 34.06 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 4.32 -0.07 -1.58 1.81 -1.26 -4.80 118.95 117.37 2knf s ARG 13 Ca 0.00 2.24 0.24 0.00 -1.72 0.00 0.00 55.73 56.50 2knf s ARG 13 Cb 0.00 -3.09 0.45 0.00 -0.45 0.00 0.00 34.95 31.86 2knf s ARG 13 CO 0.00 -0.27 1.16 1.33 -0.68 0.00 0.00 175.30 176.84 2knf n VAL 14 N 1.35 0.44 -3.71 3.52 0.24 -1.26 0.74 118.33 119.65 2knf n VAL 14 Ca 0.02 -1.60 -0.12 0.00 -2.04 0.00 0.00 64.34 60.61 2knf n VAL 14 Cb 0.41 0.97 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 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 -1.09 -0.01 0.29 3.34 2.01 -1.26 -0.41 115.64 118.52 2knf s THR 15 Ca 0.33 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 2knf s THR 15 Cb 0.37 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 72.35 2knf s THR 15 CO -0.13 0.01 0.30 0.35 -0.69 0.00 0.00 174.62 174.46 2knf n THR 16 N 3.39 0.00 0.31 -0.82 -2.24 0.63 -4.01 114.28 111.54 2knf n THR 16 Ca -0.17 -0.17 0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2knf n THR 16 Cb 0.56 -1.33 0.67 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 -1.61 0.00 0.00 2.28 -1.51 0.70 -1.36 116.25 114.75 2knf h VAL 17 Ca -0.11 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2knf h VAL 17 Cb 0.32 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2knf h VAL 17 CO 0.07 0.00 -0.87 0.35 -1.23 0.00 0.00 177.57 175.89 2knf n THR 18 N -2.86 0.22 -0.75 7.19 -2.24 -1.26 -4.93 114.28 109.64 2knf n THR 18 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2knf n THR 18 Cb 0.27 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.37 0.58 3.67 3.38 0.00 -0.51 -5.03 105.19 108.63 2knf n GLY 19 Ca 0.03 -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 4.55 0.11 2.61 2.01 -1.26 -4.67 115.64 116.99 2knf s THR 20 Ca 0.00 1.87 -0.36 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 -0.13 1.37 -2.65 -0.69 0.00 0.00 174.62 172.51 2knf n PRO 21 N 6.17 1.35 -2.14 4.92 -0.02 -1.26 -0.27 135.00 143.74 2knf n PRO 21 Ca 0.12 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 2knf n PRO 21 Cb 0.46 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.85 1.70 -0.05 0.00 0.74 0.41 -4.67 119.66 115.94 2knf s GLN 23 Ca 0.50 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 56.22 2knf s GLN 23 Cb -0.38 -1.88 -0.03 0.00 1.10 0.00 0.00 33.01 31.82 2knf s GLN 23 CO 0.51 -1.88 1.16 -0.51 -0.55 0.00 0.00 175.29 174.02 2knf s ASP 24 N -3.82 7.10 0.54 6.67 1.11 -1.26 -4.38 116.67 122.63 2knf s ASP 24 Ca 0.62 1.78 0.26 0.00 0.18 0.00 0.00 52.55 55.39 2knf s ASP 24 Cb -0.15 -2.56 1.42 0.00 1.07 0.00 0.00 42.92 42.70 2knf s ASP 24 CO 0.55 -0.54 2.00 -0.50 1.18 0.00 0.00 175.17 177.86 2knf h TRP 25 N 7.31 0.00 0.00 4.23 4.06 -1.52 0.30 115.95 130.33 2knf h TRP 25 Ca -0.35 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.57 2knf h TRP 25 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 2knf h TRP 25 CO 0.72 0.00 -0.18 0.00 -3.56 0.00 0.00 178.44 175.42 2knf h ALA 26 N 1.72 0.92 -2.90 1.49 0.00 -1.88 -3.38 119.26 115.22 2knf h ALA 26 Ca 0.23 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 54.36 2knf h ALA 26 Cb 0.97 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2knf h ALA 26 CO -0.00 0.22 -0.50 0.00 0.00 0.00 0.00 179.25 178.97 2knf s ALA 27 N -3.30 4.01 -0.46 0.00 0.00 0.10 -4.96 121.76 117.16 2knf s ALA 27 Ca 0.04 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2knf s ALA 27 Cb 0.07 -1.83 0.59 0.00 0.00 0.00 0.00 23.12 21.95 2knf s ALA 27 CO 0.67 0.82 1.83 1.04 0.00 0.00 0.00 175.76 180.12 2knf n GLN 28 N 0.27 2.30 -3.68 0.00 1.13 -1.26 -4.63 117.38 111.51 2knf n GLN 28 Ca -0.05 -3.14 -0.14 0.00 -1.94 0.00 0.00 57.00 51.73 2knf n GLN 28 Cb 0.51 -2.14 -0.14 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 -3.40 0.12 -0.21 -1.09 2.02 -1.26 -2.21 118.70 112.68 2knf s GLU 29 Ca 0.56 0.64 0.01 0.00 0.02 0.00 0.00 54.97 56.20 2knf s GLU 29 Cb 0.47 -0.12 0.26 0.00 0.10 0.00 0.00 34.13 34.84 2knf s GLU 29 CO 0.06 -0.26 1.50 -0.35 0.02 0.00 0.00 175.26 176.23 2knf n PRO 30 N 5.07 1.56 -3.84 0.39 -0.04 -1.26 -4.65 135.00 132.22 2knf n PRO 30 Ca -0.10 -1.28 -0.28 0.00 -0.04 0.00 0.00 63.50 61.80 2knf n PRO 30 Cb 0.50 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.42 1.51 -0.31 0.54 3.76 -1.04 -4.96 115.29 113.36 2knf s HIS 31 Ca 0.24 -1.02 -0.29 0.00 -0.15 0.00 0.00 55.06 53.84 2knf s HIS 31 Cb 0.20 -1.22 -0.00 0.00 1.11 0.00 0.00 32.58 32.67 2knf s HIS 31 CO 0.04 -0.61 1.41 1.03 -0.85 0.00 0.00 174.74 175.76 2knf s ARG 32 N 1.70 3.78 -0.34 1.40 1.81 -0.94 -4.07 118.95 122.30 2knf s ARG 32 Ca -0.00 1.26 0.02 0.00 -1.72 0.00 0.00 55.73 55.29 2knf s ARG 32 Cb -0.16 -3.96 0.15 0.00 -0.45 0.00 0.00 34.95 30.53 2knf s ARG 32 CO -0.07 -1.30 0.35 -3.38 -0.68 0.00 0.00 175.30 170.22 2knf s HIS 33 N 4.90 -0.38 0.00 -0.53 -3.43 -1.26 -4.96 115.29 109.63 2knf s HIS 33 Ca 0.61 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 2knf s HIS 33 Cb -0.18 -0.42 0.00 0.00 -1.43 0.00 0.00 32.58 30.55 2knf s HIS 33 CO 0.27 -0.95 1.57 0.43 -2.00 0.00 0.00 174.74 174.05 2knf n SER 34 N 4.69 4.32 -3.90 7.38 7.64 -1.26 -4.70 113.62 127.78 2knf n SER 34 Ca 0.06 -2.22 -0.11 0.00 1.01 0.00 0.00 58.87 57.61 2knf n SER 34 Cb 0.46 -0.86 -0.12 0.00 -1.01 0.00 0.00 64.21 62.68 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 0.02 0.06 -1.43 0.44 -4.36 -1.26 -4.81 121.20 109.85 2knf s ILE 35 Ca 0.00 -0.50 -0.05 0.00 -0.26 0.00 0.00 60.65 59.83 2knf s ILE 35 Cb 0.00 -0.25 0.04 0.00 1.25 0.00 0.00 42.46 43.50 2knf s ILE 35 CO 0.00 -0.28 0.68 0.49 0.24 0.00 0.00 174.94 176.07 2knf n PHE 36 N 2.11 -1.90 -3.00 1.37 3.72 -1.26 -5.00 117.46 113.49 2knf n PHE 36 Ca -0.19 0.82 -0.18 0.00 -0.05 0.00 0.00 57.45 57.84 2knf n PHE 36 Cb 0.57 -3.94 0.04 0.00 -0.94 0.00 0.00 39.48 35.21 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 -3.64 2.56 0.62 4.37 -4.23 -1.26 -4.77 115.64 109.30 2knf s THR 37 Ca 0.23 -0.98 0.35 0.00 -1.18 0.00 0.00 61.69 60.11 2knf s THR 37 Cb -0.12 -2.58 0.39 0.00 1.34 0.00 0.00 72.50 71.53 2knf s THR 37 CO 0.85 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 176.55 2knf h PRO 38 N 0.38 0.00 0.05 3.99 0.11 -1.77 -1.91 132.00 132.85 2knf h PRO 38 Ca -0.35 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.42 2knf h PRO 38 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2knf h PRO 38 CO 0.43 0.00 -1.99 0.39 -0.21 0.00 0.00 178.00 176.62 2knf n GLU 39 N -3.52 0.69 0.13 1.05 1.02 -1.26 -2.93 120.64 115.82 2knf n GLU 39 Ca -0.02 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 2knf n GLU 39 Cb 0.12 -1.70 0.12 0.00 -0.02 0.00 0.00 31.44 29.96 2knf n GLU 39 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2knf h THR 40 N 0.03 0.00 -1.99 2.62 1.35 -1.89 -3.37 112.91 109.65 2knf h THR 40 Ca -0.40 -0.87 -0.49 0.00 -0.55 0.00 0.00 66.41 64.10 2knf h THR 40 Cb 2.04 1.58 -0.40 0.00 -1.73 0.00 0.00 68.15 69.64 2knf h THR 40 CO 0.06 0.00 -1.15 0.59 -0.25 0.00 0.00 175.52 174.77 2knf n ASN 41 N -2.68 1.18 -0.50 5.36 4.13 -0.73 -4.88 115.26 117.14 2knf n ASN 41 Ca 0.02 -3.06 0.00 0.00 1.68 0.00 0.00 54.58 53.22 2knf n ASN 41 Cb 0.51 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.22 0.76 0.00 3.52 -0.04 -1.15 -2.46 135.00 135.85 2knf n PRO 42 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2knf n PRO 42 Cb 0.64 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.12 5.22 -0.20 0.54 1.85 -1.26 -4.59 116.66 118.33 2knf n ARG 43 Ca 0.00 -0.06 0.08 0.00 -1.00 0.00 0.00 57.85 56.87 2knf n ARG 43 Cb 0.19 -0.50 0.19 0.00 -1.05 0.00 0.00 32.46 31.29 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 -0.76 2.30 -3.30 2.89 0.00 -1.03 -4.98 120.51 115.63 2knf n ALA 44 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 53.44 52.18 2knf n ALA 44 Cb 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 0.96 -0.17 3.55 0.00 0.00 -1.26 -4.90 105.19 103.37 2knf n GLY 45 Ca 0.15 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.70 3.28 0.16 0.99 1.02 -1.26 -4.96 118.68 112.20 2knf s LEU 46 Ca 0.41 -0.64 0.10 0.00 0.02 0.00 0.00 54.13 54.01 2knf s LEU 46 Cb -0.18 -2.56 -0.04 0.00 0.02 0.00 0.00 46.19 43.43 2knf s LEU 46 CO 0.55 -1.94 -0.21 -1.83 0.02 0.00 0.00 176.35 172.94 2knf s GLU 47 N 5.88 1.64 3.86 1.70 -1.05 -1.26 -3.95 118.70 125.52 2knf s GLU 47 Ca 0.48 -1.36 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2knf s GLU 47 Cb -0.06 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 2knf s GLU 47 CO 0.07 0.44 0.00 1.63 0.95 0.00 0.00 175.26 178.34 2knf n LYS 48 N 0.52 0.00 -0.47 -4.83 4.76 -1.26 -2.42 118.16 114.46 2knf n LYS 48 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2knf n LYS 48 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 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 7.04 0.06 -4.71 4.39 6.94 -1.26 -1.35 115.26 126.36 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 -0.20 -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 -0.07 3.10 0.59 -2.53 2.02 -1.01 -4.50 117.35 114.94 2knf s TYR 50 Ca 0.01 0.75 -0.19 0.00 -0.37 0.00 0.00 57.07 57.27 2knf s TYR 50 Cb 0.01 -3.82 -0.05 0.00 -0.40 0.00 0.00 41.96 37.70 2knf s TYR 50 CO 0.00 -2.99 1.05 0.00 -1.57 0.00 0.00 175.55 172.04 2knf s ARG 52 N -2.80 1.07 -0.65 0.00 1.81 -0.42 -4.73 118.95 113.24 2knf s ARG 52 Ca 0.75 -0.53 0.05 0.00 -1.72 0.00 0.00 55.73 54.29 2knf s ARG 52 Cb -0.42 0.48 0.17 0.00 -0.45 0.00 0.00 34.95 34.73 2knf s ARG 52 CO 0.47 -0.42 0.46 1.21 -0.68 0.00 0.00 175.30 176.34 2knf s ASN 53 N -2.51 4.27 0.16 0.23 3.84 -1.09 -1.25 114.94 118.59 2knf s ASN 53 Ca -0.00 -3.69 0.22 0.00 0.21 0.00 0.00 52.86 49.60 2knf s ASN 53 Cb 0.01 -1.44 0.88 0.00 -0.55 0.00 0.00 41.25 40.14 2knf s ASN 53 CO -0.09 -0.11 1.67 -2.65 -2.79 0.00 0.00 177.10 173.14 2knf n PRO 54 N 2.17 0.14 -0.00 0.43 -0.02 -1.26 -1.87 135.00 134.58 2knf n PRO 54 Ca 0.21 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 2knf n PRO 54 Cb 0.37 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 2knf n PRO 54 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2knf h ASP 55 N 0.00 0.11 -5.12 2.55 1.82 -1.97 -3.48 116.42 110.33 2knf h ASP 55 Ca 0.00 -0.22 -0.37 0.00 -0.39 0.00 0.00 57.03 56.05 2knf h ASP 55 Cb 0.40 -0.04 0.11 0.00 0.68 0.00 0.00 39.33 40.48 2knf h ASP 55 CO 0.00 1.19 -0.61 0.61 -1.61 0.00 0.00 179.24 178.82 2knf n GLY 56 N 1.63 -0.43 3.58 -0.78 0.00 -0.78 -4.94 105.19 103.47 2knf n GLY 56 Ca -0.18 0.15 -0.50 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.53 1.36 0.00 1.61 -0.08 -1.26 -4.81 116.55 110.84 2knf n ASP 57 Ca -0.02 1.14 0.08 0.00 -1.51 0.00 0.00 54.79 54.48 2knf n ASP 57 Cb 0.57 -1.20 0.48 0.00 2.34 0.00 0.00 41.12 43.31 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 1.72 0.03 0.33 5.18 0.31 -1.26 -1.34 118.33 123.29 2knf n VAL 58 Ca 0.16 0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.61 2knf n VAL 58 Cb 0.23 -0.75 -0.02 0.00 -0.91 0.00 0.00 33.84 32.39 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 0.01 -1.25 0.00 2.92 0.00 -1.26 -4.94 105.19 100.67 2knf n GLY 59 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.29 0.84 3.79 -0.02 0.00 -0.45 -5.03 105.19 105.61 2knf n GLY 60 Ca 0.00 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.92 2.77 0.04 1.61 0.04 -0.57 -4.54 135.00 133.43 2knf s PRO 61 Ca 0.00 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 2knf s PRO 61 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2knf s PRO 61 CO 0.00 -1.24 0.05 -2.67 0.04 0.00 0.00 177.00 173.18 2knf n TRP 62 N -2.97 -0.52 -3.77 0.56 4.27 -0.38 -0.48 117.44 114.15 2knf n TRP 62 Ca 0.09 -0.25 -0.02 0.00 -3.89 0.00 0.00 57.50 53.42 2knf n TRP 62 Cb 0.53 0.06 0.02 0.00 -1.36 0.00 0.00 31.31 30.55 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 -3.16 3.49 0.08 0.00 2.02 -1.26 -1.80 117.35 116.72 2knf s TYR 64 Ca 0.17 0.23 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 2knf s TYR 64 Cb -0.02 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 2knf s TYR 64 CO 0.04 0.58 0.10 0.95 -1.57 0.00 0.00 175.55 175.66 2knf s THR 65 N -1.50 4.65 -0.26 -0.71 -4.23 -0.74 0.16 115.64 113.01 2knf s THR 65 Ca 0.35 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2knf s THR 65 Cb -0.13 -3.25 0.08 0.00 1.34 0.00 0.00 72.50 70.53 2knf s THR 65 CO 0.27 0.12 0.99 0.35 -0.54 0.00 0.00 174.62 175.81 2knf n THR 66 N 0.39 1.02 -3.85 3.99 -2.24 -0.56 -4.49 114.28 108.54 2knf n THR 66 Ca -0.08 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.14 2knf n THR 66 Cb 0.52 -0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 67.78 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 0.55 4.80 0.00 3.42 3.84 -1.26 -4.85 114.94 121.44 2knf s ASN 67 Ca 0.06 -0.82 0.08 0.00 0.21 0.00 0.00 52.86 52.39 2knf s ASN 67 Cb 0.05 -1.78 0.50 0.00 -0.55 0.00 0.00 41.25 39.47 2knf s ASN 67 CO 0.01 -0.18 0.92 -2.65 -2.79 0.00 0.00 177.10 172.42 2knf n PRO 68 N 4.77 0.36 0.05 0.43 -0.02 -1.26 -1.96 135.00 137.38 2knf n PRO 68 Ca -0.15 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.19 2knf n PRO 68 Cb 0.47 -1.36 -0.14 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.17 -3.46 -0.52 2.47 -1.97 -3.47 114.38 107.60 2knf h ARG 69 Ca 0.00 -0.28 -0.18 0.00 -1.26 0.00 0.00 59.98 58.26 2knf h ARG 69 Cb 0.00 0.11 -0.25 0.00 -1.65 0.00 0.00 29.97 28.18 2knf h ARG 69 CO 0.00 1.00 -0.55 -1.59 0.56 0.00 0.00 179.97 179.40 2knf s LYS 70 N -2.63 0.25 0.05 0.04 0.00 -0.83 -5.06 119.74 111.57 2knf s LYS 70 Ca -0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 55.97 55.74 2knf s LYS 70 Cb 0.08 0.11 -0.19 0.00 0.00 0.00 0.00 37.83 37.83 2knf s LYS 70 CO 0.84 -0.05 1.22 1.25 0.00 0.00 0.00 175.35 178.62 2knf h LEU 71 N 5.43 0.70 -8.06 2.77 5.85 -1.91 -3.40 115.31 116.69 2knf h LEU 71 Ca -0.27 -0.66 -0.11 0.00 0.84 0.00 0.00 57.88 57.68 2knf h LEU 71 Cb 1.20 -0.21 -0.15 0.00 0.37 0.00 0.00 40.66 41.87 2knf h LEU 71 CO 0.42 1.26 -0.56 -0.72 -0.34 0.00 0.00 178.44 178.49 2knf s TYR 72 N -3.60 0.37 0.28 1.25 1.13 -1.26 -1.80 117.35 113.72 2knf s TYR 72 Ca -0.12 -0.86 -0.14 0.00 -1.41 0.00 0.00 57.07 54.54 2knf s TYR 72 Cb 0.06 -0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.67 2knf s TYR 72 CO 0.85 -0.43 0.57 0.34 -2.51 0.00 0.00 175.55 174.37 2knf s ASP 73 N -2.82 -0.04 0.29 -0.18 2.15 -0.74 -4.86 116.67 110.47 2knf s ASP 73 Ca 0.05 -0.92 -0.03 0.00 0.43 0.00 0.00 52.55 52.08 2knf s ASP 73 Cb 0.06 0.65 -0.05 0.00 -0.30 0.00 0.00 42.92 43.29 2knf s ASP 73 CO -0.10 -1.26 0.54 -0.31 -0.17 0.00 0.00 175.17 173.87 2knf s TYR 74 N -3.76 3.48 0.39 -5.34 2.02 -1.26 -1.37 117.35 111.52 2knf s TYR 74 Ca 0.20 0.56 0.08 0.00 -0.37 0.00 0.00 57.07 57.53 2knf s TYR 74 Cb -0.02 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 2knf s TYR 74 CO 0.10 0.18 0.40 0.00 -1.57 0.00 0.00 175.55 174.66 2knf n ASP 76 N -1.57 4.10 -4.56 0.00 2.03 -1.26 -4.60 116.55 110.69 2knf n ASP 76 Ca 0.03 -3.44 -0.34 0.00 0.52 0.00 0.00 54.79 51.56 2knf n ASP 76 Cb 0.61 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.50 4.32 0.67 5.18 0.11 -1.26 -5.05 120.40 121.87 2knf s VAL 77 Ca 0.38 -0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 2knf s VAL 77 Cb 0.13 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 2knf s VAL 77 CO 0.00 0.47 0.88 -0.81 -3.33 0.00 0.00 175.10 172.31 2knf n PRO 78 N 3.59 0.62 -2.38 1.54 -0.04 -1.26 -4.44 135.00 132.63 2knf n PRO 78 Ca -0.17 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 2knf n PRO 78 Cb 0.52 -2.12 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 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 -2.98 3.63 0.06 0.54 2.00 -1.26 -0.15 119.66 121.49 2knf s GLN 79 Ca 0.73 0.95 -0.16 0.00 -2.00 0.00 0.00 55.36 54.88 2knf s GLN 79 Cb -0.38 -4.00 -0.19 0.00 0.80 0.00 0.00 33.01 29.25 2knf s GLN 79 CO 0.50 -1.49 1.22 0.00 -0.50 0.00 0.00 175.29 175.02 2knf n ALA 81 N -2.59 6.90 0.84 0.00 0.00 -1.03 -4.99 120.51 119.63 2knf n ALA 81 Ca -0.09 -3.43 0.10 0.00 0.00 0.00 0.00 53.44 50.03 2knf n ALA 81 Cb 0.69 -2.75 0.08 0.00 0.00 0.00 0.00 19.45 17.47 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50