#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 0.41 -1.02 4.04 6.94 -1.26 -4.87 115.26 119.50 2knf n ASN -3 Ca 0.00 -1.46 -0.12 0.00 -0.02 0.00 0.00 54.58 52.99 2knf n ASN -3 Cb 0.00 -0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.36 2knf n ASN -3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2knf n ALA -2 N -0.53 -0.23 -1.26 -2.53 0.00 -1.26 -4.88 120.51 109.82 2knf n ALA -2 Ca 0.15 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 2knf n ALA -2 Cb 0.13 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 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 0.02 6.67 -3.71 0.00 2.03 -1.26 -2.78 116.55 117.52 2knf n ASP -1 Ca -0.12 -2.68 -0.12 0.00 0.52 0.00 0.00 54.79 52.39 2knf n ASP -1 Cb 0.45 -1.42 -0.07 0.00 -0.72 0.00 0.00 41.12 39.36 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 -2.61 3.54 -0.42 0.00 0.23 0.98 -4.19 119.30 116.83 2knf s MET 2 Ca -0.04 -0.25 -0.06 0.00 -1.03 0.00 0.00 55.69 54.30 2knf s MET 2 Cb -0.01 -2.91 0.10 0.00 -1.53 0.00 0.00 34.83 30.48 2knf s MET 2 CO -0.04 0.51 0.24 -0.06 -2.03 0.00 0.00 175.02 173.65 2knf s PHE 3 N -1.64 3.45 0.00 3.16 0.40 -1.26 0.17 117.98 122.26 2knf s PHE 3 Ca 0.39 -1.98 0.00 0.00 -0.60 0.00 0.00 56.93 54.73 2knf s PHE 3 Cb -0.12 -3.15 0.00 0.00 0.51 0.00 0.00 43.02 40.26 2knf s PHE 3 CO 0.26 -0.93 0.00 0.41 0.70 0.00 0.00 175.22 175.66 2knf n GLY 4 N 4.77 2.07 0.16 4.36 0.00 -1.26 -2.88 105.19 112.40 2knf n GLY 4 Ca -0.07 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.47 115.58 114.16 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 0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.78 2knf n GLY 6 N 1.20 1.36 0.30 2.83 0.00 -1.14 -1.51 105.19 108.24 2knf n GLY 6 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.61 1.07 -0.44 1.61 1.57 -1.75 -2.35 116.57 116.89 2knf h LYS 7 Ca 0.00 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2knf h LYS 7 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2knf h LYS 7 CO 0.00 1.06 0.02 0.41 -0.57 0.00 0.00 179.45 180.37 2knf n GLY 8 N -0.38 3.61 3.58 3.86 0.00 -1.26 -4.85 105.19 109.74 2knf n GLY 8 Ca 0.03 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.84 1.49 -0.37 1.61 5.04 -0.90 -4.59 117.35 116.80 2knf s TYR 9 Ca 0.49 0.86 0.06 0.00 -2.44 0.00 0.00 57.07 56.04 2knf s TYR 9 Cb 0.39 -3.96 0.48 0.00 0.35 0.00 0.00 41.96 39.21 2knf s TYR 9 CO 0.12 -2.90 1.47 0.54 -1.34 0.00 0.00 175.55 173.45 2knf n ARG 10 N 8.81 2.67 0.00 4.97 5.12 -1.26 -4.83 116.66 132.15 2knf n ARG 10 Ca 0.27 -3.59 0.00 0.00 -1.93 0.00 0.00 57.85 52.60 2knf n ARG 10 Cb 0.50 -2.09 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 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 -0.93 0.93 0.65 -0.13 0.00 -1.12 -4.73 105.19 99.87 2knf n GLY 11 Ca 0.43 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.18 1.61 2.85 -1.26 -4.79 118.16 114.38 2knf n LYS 12 Ca 0.00 -0.69 -0.41 0.00 -1.05 0.00 0.00 58.31 56.16 2knf n LYS 12 Cb 0.00 -0.14 -0.03 0.00 -0.65 0.00 0.00 35.03 34.21 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 4.39 -0.23 -1.58 1.81 -1.26 -4.83 118.95 117.25 2knf s ARG 13 Ca 0.03 2.12 0.20 0.00 -1.72 0.00 0.00 55.73 56.37 2knf s ARG 13 Cb 0.04 -3.13 0.49 0.00 -0.45 0.00 0.00 34.95 31.90 2knf s ARG 13 CO -0.02 -0.18 1.14 1.33 -0.68 0.00 0.00 175.30 176.89 2knf n VAL 14 N 1.54 1.36 -3.73 3.52 0.24 -1.26 0.60 118.33 120.59 2knf n VAL 14 Ca 0.02 -2.91 -0.14 0.00 -2.04 0.00 0.00 64.34 59.28 2knf n VAL 14 Cb 0.42 0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 33.49 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 -3.43 0.03 0.46 3.34 -4.23 -1.26 -1.54 115.64 109.00 2knf s THR 15 Ca 0.33 -0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.54 2knf s THR 15 Cb 0.35 -0.62 0.11 0.00 1.34 0.00 0.00 72.50 73.68 2knf s THR 15 CO -0.04 -0.12 0.50 0.35 -0.54 0.00 0.00 174.62 174.76 2knf n THR 16 N 1.99 0.00 0.31 3.99 -2.24 0.33 -4.08 114.28 114.58 2knf n THR 16 Ca -0.17 -0.29 0.20 0.00 -2.27 0.00 0.00 64.05 61.52 2knf n THR 16 Cb 0.57 -1.40 1.01 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.71 0.05 0.00 2.28 -1.51 0.94 -0.18 116.25 116.13 2knf h VAL 17 Ca -0.17 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2knf h VAL 17 Cb 0.51 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2knf h VAL 17 CO 0.12 0.01 -0.82 0.35 -1.23 0.00 0.00 177.57 176.00 2knf n THR 18 N -3.14 0.12 -0.63 7.19 -2.24 -1.26 -4.92 114.28 109.40 2knf n THR 18 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2knf n THR 18 Cb 0.16 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.42 0.68 3.65 3.38 0.00 -0.08 -5.03 105.19 109.21 2knf n GLY 19 Ca 0.03 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 4.37 -0.13 2.61 2.01 -1.26 -4.62 115.64 116.62 2knf s THR 20 Ca 0.00 1.64 -0.39 0.00 0.31 0.00 0.00 61.69 63.25 2knf s THR 20 Cb 0.00 -4.11 -0.17 0.00 0.01 0.00 0.00 72.50 68.23 2knf s THR 20 CO 0.00 -0.21 1.54 -2.65 -0.69 0.00 0.00 174.62 172.61 2knf n PRO 21 N 6.65 1.03 -1.95 4.92 -0.02 -1.26 -0.52 135.00 143.86 2knf n PRO 21 Ca 0.13 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 2knf n PRO 21 Cb 0.45 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.80 1.51 -0.07 0.00 0.74 0.41 -4.66 119.66 115.80 2knf s GLN 23 Ca 0.52 0.78 -0.30 0.00 0.05 0.00 0.00 55.36 56.42 2knf s GLN 23 Cb -0.43 -1.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.81 2knf s GLN 23 CO 0.57 -2.05 1.13 -0.51 -0.55 0.00 0.00 175.29 173.88 2knf s ASP 24 N -3.55 7.12 0.49 6.67 1.11 -1.26 -4.36 116.67 122.89 2knf s ASP 24 Ca 0.63 1.73 0.22 0.00 0.18 0.00 0.00 52.55 55.30 2knf s ASP 24 Cb -0.17 -2.56 1.26 0.00 1.07 0.00 0.00 42.92 42.53 2knf s ASP 24 CO 0.56 -0.53 1.95 -0.50 1.18 0.00 0.00 175.17 177.83 2knf h TRP 25 N 7.31 0.20 0.00 4.23 4.06 -0.83 0.31 115.95 131.23 2knf h TRP 25 Ca -0.33 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2knf h TRP 25 Cb 1.16 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 2knf h TRP 25 CO 0.72 0.08 0.00 0.00 -3.56 0.00 0.00 178.44 175.68 2knf h ALA 26 N 1.68 1.00 -3.21 1.49 0.00 -1.84 -3.38 119.26 114.99 2knf h ALA 26 Ca 0.32 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.60 2knf h ALA 26 Cb 1.03 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2knf h ALA 26 CO -0.05 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.57 2knf s ALA 27 N -3.23 3.46 -0.41 0.00 0.00 0.11 -4.97 121.76 116.72 2knf s ALA 27 Ca 0.08 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2knf s ALA 27 Cb 0.09 -1.33 0.64 0.00 0.00 0.00 0.00 23.12 22.52 2knf s ALA 27 CO 0.59 0.71 1.82 1.04 0.00 0.00 0.00 175.76 179.92 2knf n GLN 28 N 0.43 2.27 -3.81 0.00 1.13 -1.26 -4.61 117.38 111.54 2knf n GLN 28 Ca -0.09 -3.05 -0.24 0.00 -1.94 0.00 0.00 57.00 51.67 2knf n GLN 28 Cb 0.52 -2.11 -0.17 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 -3.27 0.87 -0.41 -1.09 0.41 -1.26 -1.64 118.70 112.31 2knf s GLU 29 Ca 0.54 -0.02 0.00 0.00 -0.41 0.00 0.00 54.97 55.09 2knf s GLU 29 Cb 0.46 -1.20 0.39 0.00 -1.78 0.00 0.00 34.13 32.00 2knf s GLU 29 CO 0.09 -0.31 1.87 -0.35 -0.49 0.00 0.00 175.26 176.06 2knf n PRO 30 N 5.08 2.07 -3.90 0.39 -0.04 -1.26 -4.66 135.00 132.68 2knf n PRO 30 Ca -0.09 -2.26 -0.30 0.00 -0.04 0.00 0.00 63.50 60.82 2knf n PRO 30 Cb 0.50 -1.88 -0.16 0.00 -0.04 0.00 0.00 33.50 31.92 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 -2.56 2.32 -0.36 0.54 3.76 -0.78 -5.04 115.29 113.16 2knf s HIS 31 Ca 0.44 -1.80 -0.29 0.00 -0.15 0.00 0.00 55.06 53.25 2knf s HIS 31 Cb 0.35 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 32.36 2knf s HIS 31 CO 0.03 -0.79 1.29 1.03 -0.85 0.00 0.00 174.74 175.44 2knf s ARG 32 N 1.42 3.80 -0.34 1.40 3.00 -0.65 -4.10 118.95 123.48 2knf s ARG 32 Ca -0.01 1.04 0.00 0.00 0.00 0.00 0.00 55.73 56.76 2knf s ARG 32 Cb -0.18 -3.91 0.14 0.00 0.00 0.00 0.00 34.95 30.99 2knf s ARG 32 CO -0.09 -1.27 0.27 -3.38 0.00 0.00 0.00 175.30 170.83 2knf s HIS 33 N 4.62 0.18 0.00 -0.53 -3.43 -1.26 -4.96 115.29 109.91 2knf s HIS 33 Ca 0.55 -1.09 0.00 0.00 -0.80 0.00 0.00 55.06 53.72 2knf s HIS 33 Cb -0.14 -0.68 0.00 0.00 -1.43 0.00 0.00 32.58 30.33 2knf s HIS 33 CO 0.26 -0.89 1.67 0.43 -2.00 0.00 0.00 174.74 174.22 2knf n SER 34 N 4.41 4.49 -3.80 7.38 7.64 -1.26 -4.66 113.62 127.83 2knf n SER 34 Ca 0.08 -2.19 -0.13 0.00 1.01 0.00 0.00 58.87 57.64 2knf n SER 34 Cb 0.41 -0.94 -0.14 0.00 -1.01 0.00 0.00 64.21 62.54 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 0.24 -0.02 -1.35 0.44 -4.36 -1.26 -4.81 121.20 110.08 2knf s ILE 35 Ca 0.00 0.08 -0.02 0.00 -0.26 0.00 0.00 60.65 60.44 2knf s ILE 35 Cb 0.00 -0.20 0.02 0.00 1.25 0.00 0.00 42.46 43.52 2knf s ILE 35 CO 0.00 0.03 0.74 0.49 0.24 0.00 0.00 174.94 176.44 2knf n PHE 36 N 3.51 -1.97 -3.02 1.37 3.72 -1.26 -5.02 117.46 114.79 2knf n PHE 36 Ca -0.18 0.85 -0.19 0.00 -0.05 0.00 0.00 57.45 57.88 2knf n PHE 36 Cb 0.56 -4.30 0.04 0.00 -0.94 0.00 0.00 39.48 34.85 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 -3.62 2.44 0.20 4.37 -4.23 -1.26 -4.79 115.64 108.75 2knf s THR 37 Ca 0.12 -0.99 0.35 0.00 -1.18 0.00 0.00 61.69 59.99 2knf s THR 37 Cb -0.06 -2.45 0.37 0.00 1.34 0.00 0.00 72.50 71.70 2knf s THR 37 CO 0.82 0.00 2.05 -0.65 -0.54 0.00 0.00 174.62 176.30 2knf h PRO 38 N 0.33 0.00 0.20 3.99 0.11 -1.77 -0.16 132.00 134.70 2knf h PRO 38 Ca -0.33 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.44 2knf h PRO 38 Cb 1.29 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.41 2knf h PRO 38 CO 0.42 0.00 -1.60 0.93 -0.21 0.00 0.00 178.00 177.54 2knf h GLU 39 N 0.00 0.41 0.00 1.05 4.39 -1.92 -3.21 114.58 115.30 2knf h GLU 39 Ca 0.00 -0.71 -0.16 0.00 0.34 0.00 0.00 59.36 58.83 2knf h GLU 39 Cb 0.22 0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2knf h GLU 39 CO 0.00 1.32 -1.54 0.25 -1.16 0.00 0.00 179.01 177.89 2knf n THR 40 N -3.61 1.06 -3.25 1.13 -2.24 -1.16 -4.57 114.28 101.64 2knf n THR 40 Ca -0.20 -0.68 -0.24 0.00 -2.27 0.00 0.00 64.05 60.66 2knf n THR 40 Cb 1.08 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.80 1.66 -0.12 3.42 4.13 -0.08 -4.91 115.26 116.56 2knf n ASN 41 Ca -0.11 -3.03 0.00 0.00 1.68 0.00 0.00 54.58 53.12 2knf n ASN 41 Cb 0.83 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 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 1.00 0.86 -0.08 3.52 -0.04 -1.21 -3.38 135.00 135.67 2knf n PRO 42 Ca 0.25 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.66 2knf n PRO 42 Cb 0.50 -1.10 -0.16 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.36 0.70 -0.19 0.54 1.85 -1.26 -4.42 116.66 113.51 2knf n ARG 43 Ca 0.00 -0.05 0.09 0.00 -1.00 0.00 0.00 57.85 56.88 2knf n ARG 43 Cb 0.05 -1.52 0.19 0.00 -1.05 0.00 0.00 32.46 30.13 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 -2.63 2.34 -3.27 2.89 0.00 -1.22 -4.97 120.51 113.65 2knf n ALA 44 Ca -0.26 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 51.97 2knf n ALA 44 Cb 1.02 -0.66 0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 1.06 -0.25 3.48 0.00 0.00 -1.26 -4.86 105.19 103.36 2knf n GLY 45 Ca 0.16 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2knf n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2knf n LEU 46 N -3.85 4.33 -4.86 0.99 4.32 -1.26 -4.93 117.00 111.73 2knf n LEU 46 Ca -0.15 -3.58 -0.37 0.00 -0.02 0.00 0.00 56.01 51.89 2knf n LEU 46 Cb 0.61 -1.69 -0.06 0.00 -1.62 0.00 0.00 43.42 40.65 2knf n LEU 46 CO 0.52 -0.56 -0.07 -1.83 -1.22 0.00 0.00 177.39 174.22 2knf s GLU 47 N 5.05 3.61 3.72 3.23 -1.05 -1.26 -4.03 118.70 127.97 2knf s GLU 47 Ca 0.59 0.06 0.00 0.00 -0.15 0.00 0.00 54.97 55.47 2knf s GLU 47 Cb 0.04 -3.20 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 2knf s GLU 47 CO 0.09 0.74 0.00 1.63 0.95 0.00 0.00 175.26 178.67 2knf n LYS 48 N 1.94 0.00 -0.18 -4.83 4.76 -1.26 -2.33 118.16 116.26 2knf n LYS 48 Ca -0.18 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.27 2knf n LYS 48 Cb 0.54 0.00 0.01 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 8.35 0.30 -4.71 4.39 6.94 -1.26 -0.13 115.26 129.14 2knf n ASN 49 Ca 0.00 -1.56 -0.42 0.00 -0.02 0.00 0.00 54.58 52.58 2knf n ASN 49 Cb 0.00 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 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 -0.25 3.10 0.71 -2.53 2.02 -0.98 -4.60 117.35 114.82 2knf s TYR 50 Ca 0.02 0.77 -0.16 0.00 -0.37 0.00 0.00 57.07 57.33 2knf s TYR 50 Cb 0.02 -3.80 -0.03 0.00 -0.40 0.00 0.00 41.96 37.75 2knf s TYR 50 CO 0.00 -2.90 0.69 0.00 -1.57 0.00 0.00 175.55 171.77 2knf s ARG 52 N -2.89 1.52 -0.58 0.00 1.81 -0.48 -4.73 118.95 113.59 2knf s ARG 52 Ca 0.69 -0.96 0.05 0.00 -1.72 0.00 0.00 55.73 53.79 2knf s ARG 52 Cb -0.36 0.54 0.18 0.00 -0.45 0.00 0.00 34.95 34.86 2knf s ARG 52 CO 0.55 -0.66 0.46 -1.71 -0.68 0.00 0.00 175.30 173.26 2knf n ASN 53 N -0.38 1.66 0.11 0.23 2.85 -1.15 -0.35 115.26 118.23 2knf n ASN 53 Ca -0.07 -2.90 0.11 0.00 -0.11 0.00 0.00 54.58 51.61 2knf n ASN 53 Cb 0.62 -0.67 0.47 0.00 1.24 0.00 0.00 39.78 41.43 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 2.16 0.17 0.06 1.20 -0.04 -1.26 -1.26 135.00 136.03 2knf n PRO 54 Ca 0.24 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 64.17 2knf n PRO 54 Cb 0.41 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 2knf n PRO 54 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2knf n ASP 55 N -2.15 0.65 -3.73 3.54 8.00 -1.26 -4.96 116.55 116.64 2knf n ASP 55 Ca 0.02 0.26 -0.25 0.00 0.71 0.00 0.00 54.79 55.54 2knf n ASP 55 Cb 0.24 0.72 0.05 0.00 -0.02 0.00 0.00 41.12 42.10 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 1.26 -0.44 3.72 0.44 0.00 -0.39 -4.92 105.19 104.87 2knf n GLY 56 Ca -0.04 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.97 2.98 -0.18 1.61 -0.08 -1.26 -4.83 116.55 111.82 2knf n ASP 57 Ca -0.10 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 2knf n ASP 57 Cb 0.59 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.53 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 0.26 0.00 0.11 5.18 0.31 -1.26 -1.61 118.33 121.32 2knf n VAL 58 Ca 0.04 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.46 2knf n VAL 58 Cb 0.37 -0.21 -0.13 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.21 -0.79 0.00 2.92 0.00 -1.26 -5.04 105.19 101.22 2knf n GLY 59 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 1.48 0.34 3.82 -0.02 0.00 -0.63 -5.06 105.19 105.12 2knf n GLY 60 Ca -0.02 -2.31 -0.33 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.78 3.73 0.00 1.61 0.04 -0.57 -4.54 135.00 134.49 2knf s PRO 61 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2knf s PRO 61 Cb 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2knf s PRO 61 CO 0.00 -0.47 0.00 -2.67 0.04 0.00 0.00 177.00 173.90 2knf n TRP 62 N -1.57 -0.26 -3.82 0.56 4.27 0.52 -0.72 117.44 116.43 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 -2.78 3.49 0.06 0.00 2.02 -1.26 -1.70 117.35 117.17 2knf s TYR 64 Ca 0.19 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 57.22 2knf s TYR 64 Cb -0.02 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2knf s TYR 64 CO 0.04 0.63 0.23 0.95 -1.57 0.00 0.00 175.55 175.83 2knf s THR 65 N -1.26 5.37 -0.10 -0.71 -4.23 -0.51 0.16 115.64 114.34 2knf s THR 65 Ca 0.25 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2knf s THR 65 Cb -0.12 -3.61 0.11 0.00 1.34 0.00 0.00 72.50 70.22 2knf s THR 65 CO 0.16 0.16 1.47 0.35 -0.54 0.00 0.00 174.62 176.22 2knf n THR 66 N 0.39 1.74 -3.98 3.99 -2.24 -0.34 -4.47 114.28 109.36 2knf n THR 66 Ca -0.06 -0.58 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 2knf n THR 66 Cb 0.51 -1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 67.51 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 0.81 4.15 0.00 3.42 3.84 -1.26 -4.93 114.94 120.96 2knf s ASN 67 Ca 0.12 -0.42 0.07 0.00 0.21 0.00 0.00 52.86 52.84 2knf s ASN 67 Cb 0.09 -1.70 0.41 0.00 -0.55 0.00 0.00 41.25 39.50 2knf s ASN 67 CO 0.01 -0.01 0.87 -2.65 -2.79 0.00 0.00 177.10 172.54 2knf n PRO 68 N 4.70 0.50 -0.08 0.43 -0.02 -1.26 -2.77 135.00 136.49 2knf n PRO 68 Ca -0.19 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.13 2knf n PRO 68 Cb 0.51 -1.21 -0.11 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.00 -4.77 -0.52 2.47 -1.97 -3.48 114.38 106.10 2knf h ARG 69 Ca 0.00 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 2knf h ARG 69 Cb 0.00 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.14 2knf h ARG 69 CO 0.00 0.92 -0.73 -1.59 0.56 0.00 0.00 179.97 179.13 2knf s LYS 70 N -2.26 0.74 0.01 0.04 0.00 -1.12 -5.06 119.74 112.10 2knf s LYS 70 Ca -0.23 -1.07 -0.19 0.00 0.00 0.00 0.00 55.97 54.49 2knf s LYS 70 Cb 0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 37.83 37.22 2knf s LYS 70 CO 0.60 0.05 1.10 1.25 0.00 0.00 0.00 175.35 178.35 2knf h LEU 71 N 3.74 0.60 -8.15 2.77 5.85 -1.91 -3.41 115.31 114.81 2knf h LEU 71 Ca -0.36 -0.77 -0.12 0.00 0.84 0.00 0.00 57.88 57.47 2knf h LEU 71 Cb 1.19 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.89 2knf h LEU 71 CO 0.51 1.30 -0.57 -0.72 -0.34 0.00 0.00 178.44 178.62 2knf s TYR 72 N -3.17 0.47 0.22 1.25 1.13 -1.26 -1.43 117.35 114.56 2knf s TYR 72 Ca -0.13 -0.95 -0.21 0.00 -1.41 0.00 0.00 57.07 54.37 2knf s TYR 72 Cb 0.04 -0.30 0.04 0.00 -1.10 0.00 0.00 41.96 40.64 2knf s TYR 72 CO 0.84 -0.47 0.65 0.34 -2.51 0.00 0.00 175.55 174.40 2knf s ASP 73 N -2.93 -0.38 0.28 -0.18 2.15 -0.69 -4.85 116.67 110.07 2knf s ASP 73 Ca 0.10 -0.36 -0.04 0.00 0.43 0.00 0.00 52.55 52.68 2knf s ASP 73 Cb 0.07 0.66 -0.05 0.00 -0.30 0.00 0.00 42.92 43.30 2knf s ASP 73 CO -0.08 -1.16 0.52 -0.31 -0.17 0.00 0.00 175.17 173.97 2knf s TYR 74 N -3.85 3.48 0.38 -5.34 1.51 -1.26 -1.04 117.35 111.23 2knf s TYR 74 Ca 0.07 0.56 0.07 0.00 -1.01 0.00 0.00 57.07 56.77 2knf s TYR 74 Cb -0.03 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2knf s TYR 74 CO -0.02 0.21 0.44 0.00 -1.11 0.00 0.00 175.55 175.07 2knf n ASP 76 N -1.63 5.59 -4.71 0.00 -0.08 -1.26 -4.64 116.55 109.83 2knf n ASP 76 Ca 0.03 -3.72 -0.37 0.00 -1.51 0.00 0.00 54.79 49.22 2knf n ASP 76 Cb 0.60 -0.74 -0.07 0.00 2.34 0.00 0.00 41.12 43.25 2knf n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2knf s VAL 77 N -4.79 5.27 0.81 5.18 0.11 -1.26 -5.06 120.40 120.65 2knf s VAL 77 Ca 0.47 0.62 -0.12 0.00 -2.93 0.00 0.00 61.98 60.02 2knf s VAL 77 Cb 0.31 -3.67 0.08 0.00 -1.53 0.00 0.00 36.38 31.57 2knf s VAL 77 CO -0.19 0.34 1.17 -2.16 -3.33 0.00 0.00 175.10 170.93 2knf s PRO 78 N 0.75 1.73 -0.50 1.54 0.04 -1.26 -4.46 135.00 132.85 2knf s PRO 78 Ca 0.18 1.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 2knf s PRO 78 Cb -0.14 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2knf s PRO 78 CO 0.06 -2.11 1.42 -1.14 0.04 0.00 0.00 177.00 175.26 2knf s GLN 79 N -4.33 3.41 0.11 4.56 2.00 -1.26 -0.01 119.66 124.13 2knf s GLN 79 Ca 0.69 0.66 -0.12 0.00 -2.00 0.00 0.00 55.36 54.59 2knf s GLN 79 Cb -0.25 -4.08 -0.14 0.00 0.80 0.00 0.00 33.01 29.34 2knf s GLN 79 CO 0.51 -1.79 1.33 0.00 -0.50 0.00 0.00 175.29 174.84 2knf n ALA 81 N -2.60 6.57 1.22 0.00 0.00 -1.08 -4.98 120.51 119.65 2knf n ALA 81 Ca -0.07 -4.16 0.13 0.00 0.00 0.00 0.00 53.44 49.34 2knf n ALA 81 Cb 0.72 -2.54 0.29 0.00 0.00 0.00 0.00 19.45 17.93 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50