#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 1.17 -0.60 6.43 6.94 -1.26 -4.89 115.26 123.05 2knf n ASN -3 Ca 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 54.58 52.99 2knf n ASN -3 Cb 0.00 -0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.35 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 -0.05 -0.12 -1.79 -2.53 0.00 -1.26 -4.89 120.51 109.87 2knf n ALA -2 Ca 0.18 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 2knf n ALA -2 Cb 0.28 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 0.07 6.28 -3.78 0.00 2.03 -1.26 -3.40 116.55 116.47 2knf n ASP -1 Ca -0.08 -2.88 -0.12 0.00 0.52 0.00 0.00 54.79 52.23 2knf n ASP -1 Cb 0.32 -1.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.10 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 -1.62 3.52 -0.54 0.00 0.23 0.30 -3.77 119.30 117.42 2knf s MET 2 Ca -0.12 -0.34 -0.07 0.00 -1.03 0.00 0.00 55.69 54.13 2knf s MET 2 Cb -0.05 -2.84 0.14 0.00 -1.53 0.00 0.00 34.83 30.55 2knf s MET 2 CO 0.02 0.40 0.38 -0.06 -2.03 0.00 0.00 175.02 173.74 2knf s PHE 3 N -1.87 3.49 0.00 3.16 0.40 -1.26 0.16 117.98 122.06 2knf s PHE 3 Ca 0.38 -2.22 0.00 0.00 -0.60 0.00 0.00 56.93 54.50 2knf s PHE 3 Cb -0.11 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 40.02 2knf s PHE 3 CO 0.29 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.67 2knf n GLY 4 N 4.38 2.01 0.14 4.36 0.00 -1.26 -3.22 105.19 111.60 2knf n GLY 4 Ca -0.00 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.69 2knf n GLY 4 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2knf h ASN 5 N 0.00 0.00 0.00 1.61 7.08 -1.91 -3.46 115.58 118.90 2knf h ASN 5 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2knf h ASN 5 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2knf h ASN 5 CO 0.00 0.51 0.00 0.61 -2.08 0.00 0.00 177.43 176.47 2knf n GLY 6 N 1.17 1.41 0.32 9.14 0.00 -1.20 -1.41 105.19 114.62 2knf n GLY 6 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 1.03 1.08 -0.52 1.61 1.57 -1.74 -1.72 116.57 117.88 2knf h LYS 7 Ca 0.00 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.44 2knf h LYS 7 Cb 0.00 -0.23 -0.15 0.00 0.08 0.00 0.00 32.23 31.93 2knf h LYS 7 CO 0.00 0.75 0.12 0.41 -0.57 0.00 0.00 179.45 180.16 2knf n GLY 8 N -1.24 4.66 3.58 3.86 0.00 -1.26 -4.81 105.19 109.99 2knf n GLY 8 Ca 0.08 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.21 1.75 -0.63 1.61 5.04 -0.66 -4.42 117.35 116.83 2knf s TYR 9 Ca 0.48 0.72 0.02 0.00 -2.44 0.00 0.00 57.07 55.85 2knf s TYR 9 Cb 0.42 -4.10 0.38 0.00 0.35 0.00 0.00 41.96 39.02 2knf s TYR 9 CO 0.04 -2.70 1.45 0.54 -1.34 0.00 0.00 175.55 173.54 2knf n ARG 10 N 8.68 3.30 0.00 4.97 5.12 -1.25 -4.84 116.66 132.64 2knf n ARG 10 Ca 0.23 -4.21 0.00 0.00 -1.93 0.00 0.00 57.85 51.93 2knf n ARG 10 Cb 0.49 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 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 -0.46 2.22 0.53 -0.13 0.00 -1.22 -4.58 105.19 101.55 2knf n GLY 11 Ca 0.44 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.89 1.61 0.00 -1.26 -4.83 118.16 111.78 2knf n LYS 12 Ca 0.00 -0.45 -0.41 0.00 -0.00 0.00 0.00 58.31 57.45 2knf n LYS 12 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.03 34.84 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 4.18 -0.15 -1.58 1.81 -1.26 -4.79 118.95 117.16 2knf s ARG 13 Ca 0.01 2.47 0.24 0.00 -1.72 0.00 0.00 55.73 56.72 2knf s ARG 13 Cb 0.01 -3.00 0.47 0.00 -0.45 0.00 0.00 34.95 31.98 2knf s ARG 13 CO -0.00 -0.44 1.14 1.33 -0.68 0.00 0.00 175.30 176.64 2knf n VAL 14 N 0.71 0.76 -3.75 3.52 0.24 -1.26 0.83 118.33 119.37 2knf n VAL 14 Ca 0.01 -2.12 -0.13 0.00 -2.04 0.00 0.00 64.34 60.06 2knf n VAL 14 Cb 0.40 1.13 -0.10 0.00 -1.47 0.00 0.00 33.84 33.80 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 -2.19 0.02 0.53 3.34 -4.23 -1.26 -0.84 115.64 111.01 2knf s THR 15 Ca 0.30 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2knf s THR 15 Cb 0.35 -0.55 0.13 0.00 1.34 0.00 0.00 72.50 73.76 2knf s THR 15 CO -0.09 -0.09 0.59 0.35 -0.54 0.00 0.00 174.62 174.84 2knf n THR 16 N 2.28 0.00 0.30 3.99 -2.24 0.83 -4.03 114.28 115.42 2knf n THR 16 Ca -0.16 -0.37 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2knf n THR 16 Cb 0.57 -1.46 0.64 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.00 0.00 2.28 -1.51 0.58 -0.19 116.25 115.71 2knf h VAL 17 Ca -0.20 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 2knf h VAL 17 Cb 0.59 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2knf h VAL 17 CO 0.14 0.00 -0.90 0.35 -1.23 0.00 0.00 177.57 175.93 2knf n THR 18 N -2.51 0.15 -0.56 7.19 -2.24 -1.26 -4.93 114.28 110.13 2knf n THR 18 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2knf n THR 18 Cb 0.17 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.39 0.72 3.66 3.38 0.00 -0.08 -5.04 105.19 109.22 2knf n GLY 19 Ca 0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.44 -0.18 2.61 2.01 -1.26 -4.62 115.64 116.63 2knf s THR 20 Ca 0.00 1.73 -0.40 0.00 0.31 0.00 0.00 61.69 63.34 2knf s THR 20 Cb 0.00 -4.12 -0.16 0.00 0.01 0.00 0.00 72.50 68.23 2knf s THR 20 CO 0.00 -0.14 1.61 -2.65 -0.69 0.00 0.00 174.62 172.76 2knf n PRO 21 N 6.36 1.07 -1.92 4.92 -0.02 -1.26 -0.12 135.00 144.03 2knf n PRO 21 Ca 0.13 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 2knf n PRO 21 Cb 0.45 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.14 1.64 -0.08 0.00 0.74 0.38 -4.67 119.66 115.53 2knf s GLN 23 Ca 0.54 0.58 -0.30 0.00 0.05 0.00 0.00 55.36 56.24 2knf s GLN 23 Cb -0.43 -1.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.79 2knf s GLN 23 CO 0.57 -1.92 1.16 -0.51 -0.55 0.00 0.00 175.29 174.04 2knf s ASP 24 N -3.83 7.08 0.47 6.67 1.01 -1.26 -4.33 116.67 122.49 2knf s ASP 24 Ca 0.62 1.73 0.21 0.00 0.71 0.00 0.00 52.55 55.82 2knf s ASP 24 Cb -0.15 -2.56 1.21 0.00 1.01 0.00 0.00 42.92 42.43 2knf s ASP 24 CO 0.55 -0.57 1.93 -0.50 0.21 0.00 0.00 175.17 176.78 2knf h TRP 25 N 7.44 0.29 0.00 4.23 4.06 -0.84 0.35 115.95 131.48 2knf h TRP 25 Ca -0.32 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.63 2knf h TRP 25 Cb 1.15 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 2knf h TRP 25 CO 0.73 0.10 0.00 0.00 -3.56 0.00 0.00 178.44 175.71 2knf n ALA 26 N -2.58 2.11 -2.66 1.49 0.00 -1.25 -4.26 120.51 113.36 2knf n ALA 26 Ca 0.14 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 2knf n ALA 26 Cb 0.63 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 2knf n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2knf s ALA 27 N -3.07 3.20 -0.46 0.00 0.00 0.12 -4.97 121.76 116.57 2knf s ALA 27 Ca 0.10 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.98 2knf s ALA 27 Cb 0.14 -1.14 0.61 0.00 0.00 0.00 0.00 23.12 22.74 2knf s ALA 27 CO 0.49 0.68 1.87 1.04 0.00 0.00 0.00 175.76 179.84 2knf n GLN 28 N 0.74 2.29 -3.67 0.00 1.13 -1.26 -4.64 117.38 111.96 2knf n GLN 28 Ca -0.12 -3.10 -0.14 0.00 -1.94 0.00 0.00 57.00 51.70 2knf n GLN 28 Cb 0.52 -2.16 -0.14 0.00 0.11 0.00 0.00 30.24 28.57 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 -3.39 0.11 -0.26 -1.09 2.02 -1.26 -1.58 118.70 113.26 2knf s GLU 29 Ca 0.57 0.65 0.01 0.00 0.02 0.00 0.00 54.97 56.22 2knf s GLU 29 Cb 0.48 -0.13 0.29 0.00 0.10 0.00 0.00 34.13 34.87 2knf s GLU 29 CO 0.08 -0.28 1.66 -0.35 0.02 0.00 0.00 175.26 176.39 2knf n PRO 30 N 5.19 1.70 -3.75 0.39 -0.04 -1.26 -4.62 135.00 132.60 2knf n PRO 30 Ca -0.08 -1.54 -0.27 0.00 -0.04 0.00 0.00 63.50 61.56 2knf n PRO 30 Cb 0.50 -1.60 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.73 1.07 0.01 0.54 3.76 -1.01 -5.03 115.29 112.90 2knf s HIS 31 Ca 0.30 -0.84 -0.30 0.00 -0.15 0.00 0.00 55.06 54.07 2knf s HIS 31 Cb 0.24 -1.04 -0.05 0.00 1.11 0.00 0.00 32.58 32.84 2knf s HIS 31 CO 0.03 -0.59 1.32 -0.98 -0.85 0.00 0.00 174.74 173.67 2knf s ARG 32 N 1.84 4.33 -0.40 1.40 3.03 -0.61 -4.12 118.95 124.42 2knf s ARG 32 Ca -0.01 1.88 0.06 0.00 2.03 0.00 0.00 55.73 59.69 2knf s ARG 32 Cb -0.17 -3.49 0.17 0.00 -1.03 0.00 0.00 34.95 30.43 2knf s ARG 32 CO -0.08 -0.47 0.53 -3.38 -1.13 0.00 0.00 175.30 170.77 2knf s HIS 33 N 1.97 -1.12 0.00 5.89 -3.43 -1.26 -4.98 115.29 112.35 2knf s HIS 33 Ca 0.61 -0.25 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 2knf s HIS 33 Cb -0.30 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 30.86 2knf s HIS 33 CO 0.26 -1.10 0.98 0.43 -2.00 0.00 0.00 174.74 173.32 2knf n SER 34 N 4.25 2.75 -3.88 7.38 7.64 -1.26 -4.65 113.62 125.84 2knf n SER 34 Ca 0.12 -1.63 -0.11 0.00 1.01 0.00 0.00 58.87 58.26 2knf n SER 34 Cb 0.52 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.44 0.07 -1.44 0.44 -4.36 -1.26 -4.84 121.20 110.25 2knf s ILE 35 Ca 0.00 -0.55 -0.07 0.00 -0.26 0.00 0.00 60.65 59.78 2knf s ILE 35 Cb 0.00 -0.32 0.04 0.00 1.25 0.00 0.00 42.46 43.43 2knf s ILE 35 CO 0.00 -0.30 0.77 0.49 0.24 0.00 0.00 174.94 176.14 2knf n PHE 36 N 1.91 -2.01 -3.08 1.37 3.72 -1.26 -5.01 117.46 113.10 2knf n PHE 36 Ca -0.20 0.85 -0.18 0.00 -0.05 0.00 0.00 57.45 57.86 2knf n PHE 36 Cb 0.56 -4.03 0.02 0.00 -0.94 0.00 0.00 39.48 35.09 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 -3.55 2.70 -0.40 4.37 -4.23 -1.26 -4.77 115.64 108.50 2knf s THR 37 Ca 0.31 -1.04 0.20 0.00 -1.18 0.00 0.00 61.69 59.98 2knf s THR 37 Cb -0.16 -2.74 0.21 0.00 1.34 0.00 0.00 72.50 71.15 2knf s THR 37 CO 0.84 0.00 1.62 -2.65 -0.54 0.00 0.00 174.62 173.89 2knf n PRO 38 N -1.93 0.14 -0.03 3.99 -0.02 -1.26 -0.94 135.00 134.95 2knf n PRO 38 Ca 0.10 0.53 -0.18 0.00 -2.02 0.00 0.00 63.50 61.93 2knf n PRO 38 Cb 0.60 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 32.07 2knf n PRO 38 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2knf n GLU 39 N -2.16 0.71 0.10 -0.52 4.71 -1.26 -3.54 120.64 118.68 2knf n GLU 39 Ca 0.00 0.23 0.07 0.00 -0.01 0.00 0.00 57.16 57.45 2knf n GLU 39 Cb 0.11 -1.67 -0.00 0.00 -1.01 0.00 0.00 31.44 28.87 2knf n GLU 39 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2knf h THR 40 N 0.04 0.25 -2.13 2.62 1.35 -1.86 -3.38 112.91 109.80 2knf h THR 40 Ca -0.44 -1.44 -0.53 0.00 -0.55 0.00 0.00 66.41 63.44 2knf h THR 40 Cb 2.02 1.83 -0.41 0.00 -1.73 0.00 0.00 68.15 69.86 2knf h THR 40 CO 0.05 0.14 -0.94 0.59 -0.25 0.00 0.00 175.52 175.11 2knf n ASN 41 N -2.86 2.49 -1.51 5.36 4.13 -0.11 -4.87 115.26 117.90 2knf n ASN 41 Ca -0.02 -3.31 0.00 0.00 1.68 0.00 0.00 54.58 52.92 2knf n ASN 41 Cb 0.66 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 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 0.07 0.89 0.00 3.52 -0.04 -1.23 -2.81 135.00 135.40 2knf n PRO 42 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2knf n PRO 42 Cb 0.53 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 1.47 3.32 -0.49 0.54 0.00 -1.26 -4.84 116.66 115.40 2knf n ARG 43 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 2knf n ARG 43 Cb 0.45 -0.28 0.34 0.00 -0.00 0.00 0.00 32.46 32.97 2knf n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2knf n ALA 44 N 0.00 2.73 -3.11 2.89 0.00 -1.12 -4.94 120.51 116.95 2knf n ALA 44 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 53.44 51.89 2knf n ALA 44 Cb 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 1.42 0.11 3.54 0.00 0.00 -1.26 -4.84 105.19 104.17 2knf n GLY 45 Ca 0.25 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.54 3.51 0.02 0.99 1.02 -1.26 -4.98 118.68 113.43 2knf s LEU 46 Ca 0.32 -0.35 0.06 0.00 0.02 0.00 0.00 54.13 54.18 2knf s LEU 46 Cb -0.14 -2.75 -0.02 0.00 0.02 0.00 0.00 46.19 43.30 2knf s LEU 46 CO 0.41 -1.62 -0.17 -1.83 0.02 0.00 0.00 176.35 173.16 2knf s GLU 47 N 5.10 1.25 5.47 1.70 -1.05 -1.26 -4.09 118.70 125.82 2knf s GLU 47 Ca 0.35 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 2knf s GLU 47 Cb -0.09 -1.26 0.00 0.00 -0.44 0.00 0.00 34.13 32.33 2knf s GLU 47 CO 0.18 0.33 0.00 1.63 0.95 0.00 0.00 175.26 178.35 2knf n LYS 48 N 2.26 0.00 -0.31 -4.83 4.76 -1.26 -2.53 118.16 116.24 2knf n LYS 48 Ca -0.16 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.29 2knf n LYS 48 Cb 0.54 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.75 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 8.36 0.44 -4.72 4.39 6.94 -1.26 -0.14 115.26 129.27 2knf n ASN 49 Ca 0.00 -1.95 -0.42 0.00 -0.02 0.00 0.00 54.58 52.19 2knf n ASN 49 Cb 0.00 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.21 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 -0.47 3.12 0.54 -2.53 2.02 -1.05 -4.48 117.35 114.50 2knf s TYR 50 Ca 0.05 0.79 -0.21 0.00 -0.37 0.00 0.00 57.07 57.33 2knf s TYR 50 Cb 0.04 -3.83 -0.06 0.00 -0.40 0.00 0.00 41.96 37.71 2knf s TYR 50 CO 0.00 -2.97 1.14 0.00 -1.57 0.00 0.00 175.55 172.16 2knf s ARG 52 N -2.65 1.04 -0.61 0.00 1.81 -0.64 -4.71 118.95 113.19 2knf s ARG 52 Ca 0.71 -0.73 0.05 0.00 -1.72 0.00 0.00 55.73 54.04 2knf s ARG 52 Cb -0.45 0.45 0.17 0.00 -0.45 0.00 0.00 34.95 34.67 2knf s ARG 52 CO 0.50 -0.40 0.44 1.21 -0.68 0.00 0.00 175.30 176.38 2knf s ASN 53 N -2.79 3.75 0.47 0.23 3.84 -1.13 -1.28 114.94 118.04 2knf s ASN 53 Ca 0.03 -3.60 0.13 0.00 0.21 0.00 0.00 52.86 49.63 2knf s ASN 53 Cb 0.02 -1.25 1.11 0.00 -0.55 0.00 0.00 41.25 40.58 2knf s ASN 53 CO -0.12 -0.11 2.10 -0.65 -2.79 0.00 0.00 177.10 175.53 2knf h PRO 54 N 5.48 0.22 0.00 0.43 0.11 -1.91 -1.90 132.00 134.44 2knf h PRO 54 Ca 0.18 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.17 2knf h PRO 54 Cb 0.80 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 2knf h PRO 54 CO 0.61 0.15 -1.19 -0.44 -0.21 0.00 0.00 178.00 176.92 2knf h ASP 55 N 0.23 0.00 -4.16 -2.05 3.32 -1.97 -3.48 116.42 108.30 2knf h ASP 55 Ca 0.08 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.91 2knf h ASP 55 Cb 0.04 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.69 2knf h ASP 55 CO -0.02 0.40 -0.46 0.61 -1.72 0.00 0.00 179.24 178.06 2knf n GLY 56 N 1.31 -0.03 3.58 2.75 0.00 -0.71 -4.94 105.19 107.16 2knf n GLY 56 Ca -0.06 -0.11 -0.49 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.94 1.40 0.04 1.61 -0.08 -1.26 -4.80 116.55 111.51 2knf n ASP 57 Ca -0.11 1.14 0.04 0.00 -1.51 0.00 0.00 54.79 54.34 2knf n ASP 57 Cb 0.58 -1.21 0.19 0.00 2.34 0.00 0.00 41.12 43.02 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 1.68 1.63 0.90 5.18 0.31 -1.26 -1.28 118.33 125.49 2knf n VAL 58 Ca 0.16 0.52 0.10 0.00 -0.01 0.00 0.00 64.34 65.11 2knf n VAL 58 Cb 0.24 -1.49 -0.12 0.00 -0.91 0.00 0.00 33.84 31.55 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 -1.25 -0.97 0.00 2.92 0.00 -1.26 -4.92 105.19 99.71 2knf n GLY 59 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.47 0.79 3.80 -0.02 0.00 -0.41 -5.05 105.19 105.77 2knf n GLY 60 Ca 0.03 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.86 2.04 0.08 1.61 0.04 -0.50 -4.42 135.00 132.98 2knf s PRO 61 Ca 0.00 0.65 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 2knf s PRO 61 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2knf s PRO 61 CO 0.00 -1.65 0.12 -2.67 0.04 0.00 0.00 177.00 172.83 2knf n TRP 62 N -3.46 -0.73 -3.80 0.56 4.27 -0.40 -0.60 117.44 113.27 2knf n TRP 62 Ca 0.07 -0.51 -0.02 0.00 -3.89 0.00 0.00 57.50 53.15 2knf n TRP 62 Cb 0.56 0.13 0.02 0.00 -1.36 0.00 0.00 31.31 30.66 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 -2.93 3.48 0.02 0.00 2.02 -1.26 -1.70 117.35 116.99 2knf s TYR 64 Ca 0.18 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 2knf s TYR 64 Cb -0.02 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 2knf s TYR 64 CO 0.04 0.61 0.11 0.95 -1.57 0.00 0.00 175.55 175.70 2knf s THR 65 N -1.36 4.88 -0.78 -0.71 -4.23 -0.15 0.14 115.64 113.44 2knf s THR 65 Ca 0.29 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 2knf s THR 65 Cb -0.13 -3.29 0.10 0.00 1.34 0.00 0.00 72.50 70.53 2knf s THR 65 CO 0.21 0.27 0.72 0.35 -0.54 0.00 0.00 174.62 175.63 2knf n THR 66 N 0.87 0.48 -3.60 3.99 -2.24 -0.45 -4.55 114.28 108.78 2knf n THR 66 Ca -0.11 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 2knf n THR 66 Cb 0.52 -0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.02 6.11 0.00 3.42 3.84 -1.26 -4.91 114.94 122.17 2knf s ASN 67 Ca 0.07 0.11 0.09 0.00 0.21 0.00 0.00 52.86 53.34 2knf s ASN 67 Cb 0.05 -2.12 0.52 0.00 -0.55 0.00 0.00 41.25 39.15 2knf s ASN 67 CO 0.02 0.00 0.94 -2.65 -2.79 0.00 0.00 177.10 172.62 2knf n PRO 68 N 4.61 0.34 -0.08 0.43 -0.02 -1.26 -2.44 135.00 136.58 2knf n PRO 68 Ca -0.14 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.18 2knf n PRO 68 Cb 0.52 -1.40 -0.11 0.00 -0.02 0.00 0.00 33.50 32.48 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 -5.22 -0.52 2.47 -1.97 -3.49 114.38 105.66 2knf h ARG 69 Ca 0.00 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.36 2knf h ARG 69 Cb 0.00 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.17 2knf h ARG 69 CO 0.00 0.92 -0.72 -1.59 0.56 0.00 0.00 179.97 179.14 2knf s LYS 70 N -2.25 1.12 -0.12 0.04 -2.85 -1.02 -5.06 119.74 109.61 2knf s LYS 70 Ca -0.22 -1.47 -0.19 0.00 -1.00 0.00 0.00 55.97 53.09 2knf s LYS 70 Cb 0.01 -0.77 -0.26 0.00 -2.06 0.00 0.00 37.83 34.74 2knf s LYS 70 CO 0.61 0.11 0.59 1.25 0.10 0.00 0.00 175.35 178.01 2knf h LEU 71 N 2.79 0.29 -8.22 2.77 5.85 -1.89 -3.40 115.31 113.49 2knf h LEU 71 Ca -0.37 -0.84 -0.14 0.00 0.84 0.00 0.00 57.88 57.37 2knf h LEU 71 Cb 1.20 -0.09 -0.14 0.00 0.37 0.00 0.00 40.66 42.00 2knf h LEU 71 CO 0.62 1.48 -0.51 -0.72 -0.34 0.00 0.00 178.44 178.97 2knf s TYR 72 N -2.42 0.59 0.35 1.25 1.13 -1.26 -0.98 117.35 116.02 2knf s TYR 72 Ca -0.20 -0.98 -0.17 0.00 -1.41 0.00 0.00 57.07 54.30 2knf s TYR 72 Cb 0.03 -0.28 0.04 0.00 -1.10 0.00 0.00 41.96 40.66 2knf s TYR 72 CO 0.74 -0.58 0.77 0.34 -2.51 0.00 0.00 175.55 174.31 2knf s ASP 73 N -2.99 -0.07 0.30 -0.18 -1.08 -0.69 -4.83 116.67 107.13 2knf s ASP 73 Ca 0.18 -0.99 -0.01 0.00 -0.52 0.00 0.00 52.55 51.21 2knf s ASP 73 Cb 0.06 0.82 -0.04 0.00 -1.46 0.00 0.00 42.92 42.30 2knf s ASP 73 CO -0.01 -1.59 0.52 -0.31 0.52 0.00 0.00 175.17 174.29 2knf s TYR 74 N -2.78 3.49 0.38 -5.34 1.51 -1.26 -1.20 117.35 112.15 2knf s TYR 74 Ca 0.14 0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.70 2knf s TYR 74 Cb -0.05 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 2knf s TYR 74 CO 0.10 0.19 0.35 0.00 -1.11 0.00 0.00 175.55 175.08 2knf n ASP 76 N -1.49 3.88 -4.56 0.00 2.03 -1.26 -4.60 116.55 110.56 2knf n ASP 76 Ca 0.01 -3.39 -0.34 0.00 0.52 0.00 0.00 54.79 51.59 2knf n ASP 76 Cb 0.61 -0.76 -0.11 0.00 -0.72 0.00 0.00 41.12 40.14 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 -2.27 4.30 0.85 5.18 0.11 -1.26 -5.04 120.40 122.27 2knf s VAL 77 Ca 0.36 -0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 59.07 2knf s VAL 77 Cb 0.09 -2.92 0.05 0.00 -1.53 0.00 0.00 36.38 32.08 2knf s VAL 77 CO -0.04 0.47 0.82 -0.81 -3.33 0.00 0.00 175.10 172.22 2knf n PRO 78 N 3.59 -0.03 -2.42 1.54 -0.04 -1.26 -4.49 135.00 131.89 2knf n PRO 78 Ca -0.17 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 2knf n PRO 78 Cb 0.52 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 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 -3.78 3.84 0.00 0.54 2.00 -1.26 -0.54 119.66 120.46 2knf s GLN 79 Ca 0.66 1.15 -0.20 0.00 -2.00 0.00 0.00 55.36 54.97 2knf s GLN 79 Cb -0.27 -3.91 -0.23 0.00 0.80 0.00 0.00 33.01 29.40 2knf s GLN 79 CO 0.58 -1.22 1.09 0.00 -0.50 0.00 0.00 175.29 175.25 2knf n ALA 81 N -2.59 6.31 -0.48 0.00 0.00 -1.06 -4.98 120.51 117.71 2knf n ALA 81 Ca -0.10 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.38 2knf n ALA 81 Cb 0.67 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.94 2knf n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50