#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkh s VAL 9 N 0.00 0.69 0.02 1.61 0.11 -1.26 -5.08 120.40 116.49 1qkh s VAL 9 Ca 0.00 -0.36 0.06 0.00 -2.93 0.00 0.00 61.98 58.75 1qkh s VAL 9 Cb 0.00 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1qkh s VAL 9 CO 0.00 0.20 -0.17 0.12 -3.33 0.00 0.00 175.10 171.92 1qkh s PHE 10 N -0.10 1.54 -0.29 1.54 5.36 -1.25 -5.09 117.98 119.70 1qkh s PHE 10 Ca 0.02 -0.34 -0.08 0.00 -0.96 0.00 0.00 56.93 55.57 1qkh s PHE 10 Cb -0.04 -0.94 -0.01 0.00 -0.34 0.00 0.00 43.02 41.68 1qkh s PHE 10 CO -0.00 0.03 0.10 0.54 -1.46 0.00 0.00 175.22 174.44 1qkh s VAL 11 N -0.67 4.33 -0.44 3.12 0.11 -1.26 -2.14 120.40 123.45 1qkh s VAL 11 Ca 0.06 -0.41 -0.37 0.00 -2.93 0.00 0.00 61.98 58.33 1qkh s VAL 11 Cb -0.08 -3.15 -0.14 0.00 -1.53 0.00 0.00 36.38 31.49 1qkh s VAL 11 CO 0.01 0.16 2.23 -0.67 -3.33 0.00 0.00 175.10 173.50 1qkh n ASP 12 N 4.93 1.66 0.26 3.54 2.03 -1.26 -4.76 116.55 122.95 1qkh n ASP 12 Ca -0.15 0.41 0.13 0.00 0.52 0.00 0.00 54.79 55.70 1qkh n ASP 12 Cb 0.50 -1.16 0.68 0.00 -0.72 0.00 0.00 41.12 40.41 1qkh n ASP 12 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1qkh h ASP 13 N 11.91 0.00 1.03 1.67 3.58 -1.96 -1.35 116.42 131.30 1qkh h ASP 13 Ca -0.21 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1qkh h ASP 13 Cb 1.34 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.39 1qkh h ASP 13 CO 1.07 0.13 -0.03 -0.74 -2.88 0.00 0.00 179.24 176.79 1qkh h HIS 14 N 0.00 0.00 0.08 0.28 2.76 -1.95 -0.88 115.15 115.43 1qkh h HIS 14 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 1qkh h HIS 14 Cb 0.44 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1qkh h HIS 14 CO 0.00 0.03 -1.76 1.37 -1.30 0.00 0.00 177.93 176.27 1qkh h LEU 15 N 0.00 0.25 -0.49 0.26 8.10 -1.46 -3.36 115.31 118.61 1qkh h LEU 15 Ca -0.00 -0.49 -0.15 0.00 0.11 0.00 0.00 57.88 57.35 1qkh h LEU 15 Cb 0.55 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.68 1qkh h LEU 15 CO 0.00 1.43 -0.37 -0.07 -4.11 0.00 0.00 178.44 175.32 1qkh h LEU 16 N 0.04 0.88 -2.69 0.17 4.07 -1.21 -1.65 115.31 114.93 1qkh h LEU 16 Ca -0.32 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.25 1qkh h LEU 16 Cb 2.02 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 43.51 1qkh h LEU 16 CO 0.11 1.16 0.09 1.05 -1.08 0.00 0.00 178.44 179.76 1qkh h GLU 17 N 0.69 0.00 0.00 1.13 4.11 -1.31 -0.65 114.58 118.55 1qkh h GLU 17 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.14 1qkh h GLU 17 Cb 0.94 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.12 1qkh h GLU 17 CO 0.09 0.00 -2.35 1.63 0.07 0.00 0.00 179.01 178.45 1qkh n LYS 18 N -3.13 0.74 0.06 1.06 5.02 -1.03 -4.31 118.16 116.57 1qkh n LYS 18 Ca -0.02 -0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 1qkh n LYS 18 Cb 0.16 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.58 1qkh n LYS 18 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1qkh h VAL 19 N 0.00 1.36 0.00 -0.18 3.04 -0.45 -3.06 116.25 116.97 1qkh h VAL 19 Ca -0.52 -2.41 -0.01 0.00 -1.01 0.00 0.00 66.70 62.75 1qkh h VAL 19 Cb 2.18 2.44 -0.00 0.00 -2.01 0.00 0.00 31.29 33.90 1qkh h VAL 19 CO 0.03 0.73 -0.06 0.17 -1.01 0.00 0.00 177.57 177.43 1qkh h LEU 20 N 0.28 0.00 -0.66 3.16 8.10 -1.37 0.14 115.31 124.95 1qkh h LEU 20 Ca -0.10 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.74 1qkh h LEU 20 Cb 1.65 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.86 1qkh h LEU 20 CO 0.18 0.06 -0.54 -0.33 -4.11 0.00 0.00 178.44 173.70 1qkh h GLU 21 N 0.00 0.36 0.00 0.17 3.07 -1.72 -1.09 114.58 115.37 1qkh h GLU 21 Ca -0.00 -0.22 -0.11 0.00 -0.50 0.00 0.00 59.36 58.53 1qkh h GLU 21 Cb 0.14 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1qkh h GLU 21 CO 0.01 0.81 -0.52 -0.07 -1.40 0.00 0.00 179.01 177.83 1qkh h LEU 22 N 0.28 0.00 0.00 1.33 4.07 -0.79 -2.77 115.31 117.43 1qkh h LEU 22 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1qkh h LEU 22 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1qkh h LEU 22 CO 0.09 0.52 -0.28 0.59 -1.08 0.00 0.00 178.44 178.29 1qkh n ASN 23 N -3.26 0.54 0.01 -0.43 3.02 0.14 -0.52 115.26 114.76 1qkh n ASN 23 Ca 0.02 0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 54.64 1qkh n ASN 23 Cb 0.73 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.50 1qkh n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkh h ALA 24 N 2.71 0.44 0.00 5.41 0.00 -1.09 -3.39 119.26 123.34 1qkh h ALA 24 Ca 0.00 -1.38 -0.32 0.00 0.00 0.00 0.00 54.91 53.21 1qkh h ALA 24 Cb 0.65 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1qkh h ALA 24 CO 0.00 1.31 -2.02 1.63 0.00 0.00 0.00 179.25 180.18 1qkh n LYS 25 N -3.46 0.66 0.00 0.00 4.76 -1.06 -4.99 118.16 114.08 1qkh n LYS 25 Ca -0.30 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1qkh n LYS 25 Cb 1.05 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qkh n GLY 26 N 1.64 1.63 3.75 0.72 0.00 0.12 -5.09 105.19 107.96 1qkh n GLY 26 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1qkh n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qkh s GLU 27 N -0.37 4.51 -0.84 1.61 2.02 0.32 -4.98 118.70 120.97 1qkh s GLU 27 Ca 0.00 1.09 0.01 0.00 0.02 0.00 0.00 54.97 56.08 1qkh s GLU 27 Cb 0.00 -3.33 0.22 0.00 0.10 0.00 0.00 34.13 31.12 1qkh s GLU 27 CO 0.00 0.37 0.79 1.63 0.02 0.00 0.00 175.26 178.07 1qkh n LYS 28 N 2.46 2.64 0.00 1.61 5.02 -1.26 -4.54 118.16 124.08 1qkh n LYS 28 Ca -0.03 -4.53 0.00 0.00 -2.02 0.00 0.00 58.31 51.73 1qkh n LYS 28 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1qkh n LYS 28 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qkh n ARG 29 N 1.88 3.93 -4.26 1.97 3.00 -1.26 -4.94 116.66 116.98 1qkh n ARG 29 Ca 0.23 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.82 1qkh n ARG 29 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.74 1qkh n ARG 29 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1qkh s LEU 30 N 0.00 3.13 -0.18 6.15 2.34 -1.26 -2.20 118.68 126.66 1qkh s LEU 30 Ca 0.00 -0.52 -0.01 0.00 0.06 0.00 0.00 54.13 53.66 1qkh s LEU 30 Cb 0.00 -1.78 0.05 0.00 -0.56 0.00 0.00 46.19 43.90 1qkh s LEU 30 CO 0.00 0.08 -0.04 -0.63 -1.06 0.00 0.00 176.35 174.70 1qkh s ILE 31 N -1.81 1.10 0.68 1.48 1.09 -0.99 -4.90 121.20 117.85 1qkh s ILE 31 Ca 0.27 -0.73 -0.15 0.00 -1.10 0.00 0.00 60.65 58.94 1qkh s ILE 31 Cb -0.09 -1.34 0.01 0.00 -1.06 0.00 0.00 42.46 39.98 1qkh s ILE 31 CO 0.17 0.04 1.15 -0.54 -0.10 0.00 0.00 174.94 175.66 1qkh s LYS 32 N 1.62 2.55 -0.05 2.79 3.01 -1.26 -0.83 119.74 127.56 1qkh s LYS 32 Ca -0.01 1.56 -0.03 0.00 -1.01 0.00 0.00 55.97 56.48 1qkh s LYS 32 Cb -0.16 -1.90 0.02 0.00 -1.01 0.00 0.00 37.83 34.78 1qkh s LYS 32 CO -0.07 -1.48 0.12 0.99 0.51 0.00 0.00 175.35 175.42 1qkh s THR 33 N -2.16 -0.02 -0.47 2.17 2.01 -0.43 -4.42 115.64 112.33 1qkh s THR 33 Ca 0.70 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.84 1qkh s THR 33 Cb -0.24 -0.19 0.21 0.00 0.01 0.00 0.00 72.50 72.29 1qkh s THR 33 CO 0.42 0.03 0.65 0.79 -0.69 0.00 0.00 174.62 175.83 1qkh n TRP 34 N 3.52 -2.53 0.00 4.92 8.01 -1.26 -2.91 117.44 127.18 1qkh n TRP 34 Ca -0.18 -2.24 0.00 0.00 -1.31 0.00 0.00 57.50 53.77 1qkh n TRP 34 Cb 0.56 0.95 0.00 0.00 -2.01 0.00 0.00 31.31 30.81 1qkh n TRP 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1qkh n SER 35 N 2.33 0.00 0.09 -0.99 7.64 -1.26 -5.04 113.62 116.38 1qkh n SER 35 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1qkh n SER 35 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1qkh n SER 35 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qkh n ARG 36 N -0.78 0.00 -1.29 1.43 0.63 -1.26 -4.94 116.66 110.44 1qkh n ARG 36 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 1qkh n ARG 36 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 1qkh n ARG 36 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1qkh n ARG 37 N -2.80 2.51 -1.46 -0.14 3.00 -1.26 -4.35 116.66 112.16 1qkh n ARG 37 Ca 0.00 -3.28 -0.57 0.00 -0.01 0.00 0.00 57.85 53.99 1qkh n ARG 37 Cb 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 32.46 30.20 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1qkh n SER 38 N -1.01 0.55 -4.26 0.55 7.64 -1.25 -3.79 113.62 112.04 1qkh n SER 38 Ca 0.55 1.05 -0.15 0.00 1.01 0.00 0.00 58.87 61.33 1qkh n SER 38 Cb 1.09 -0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 63.38 1qkh n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qkh s THR 39 N 1.36 1.27 0.71 0.44 2.01 -0.91 -4.59 115.64 115.94 1qkh s THR 39 Ca 0.88 -2.02 -0.08 0.00 0.31 0.00 0.00 61.69 60.78 1qkh s THR 39 Cb -1.24 -1.81 0.06 0.00 0.01 0.00 0.00 72.50 69.51 1qkh s THR 39 CO 0.62 -0.67 1.05 -0.63 -0.69 0.00 0.00 174.62 174.30 1qkh s ILE 40 N -3.07 2.47 0.31 1.82 1.09 -1.26 -4.23 121.20 118.33 1qkh s ILE 40 Ca 0.16 -0.12 0.05 0.00 -1.10 0.00 0.00 60.65 59.64 1qkh s ILE 40 Cb 0.01 -3.09 -0.03 0.00 -1.06 0.00 0.00 42.46 38.28 1qkh s ILE 40 CO 0.02 -0.11 0.22 0.68 -0.10 0.00 0.00 174.94 175.65 1qkh s VAL 41 N -3.30 0.10 0.35 2.92 -7.23 -1.26 -4.27 120.40 107.72 1qkh s VAL 41 Ca 0.60 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.87 1qkh s VAL 41 Cb -0.11 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.44 1qkh s VAL 41 CO 0.46 0.00 1.82 1.55 -0.31 0.00 0.00 175.10 178.62 1qkh h PRO 42 N 2.20 0.14 0.00 4.82 0.13 -1.98 -2.26 132.00 135.05 1qkh h PRO 42 Ca -0.29 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1qkh h PRO 42 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1qkh h PRO 42 CO 0.43 0.44 0.00 -0.85 -0.23 0.00 0.00 178.00 177.80 1qkh n GLU 43 N -4.13 0.42 -0.33 0.86 0.28 -1.26 -2.84 120.64 113.64 1qkh n GLU 43 Ca -0.01 0.06 0.10 0.00 -0.16 0.00 0.00 57.16 57.15 1qkh n GLU 43 Cb 0.39 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 32.04 1qkh n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1qkh n MET 44 N -1.15 2.50 0.00 3.44 2.81 -0.85 -4.54 117.12 119.33 1qkh n MET 44 Ca 0.12 -2.31 0.01 0.00 -1.81 0.00 0.00 57.70 53.70 1qkh n MET 44 Cb 0.11 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.17 1qkh n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qkh n VAL 45 N 1.37 0.00 -2.52 2.03 0.31 -1.13 -2.40 118.33 115.99 1qkh n VAL 45 Ca 0.21 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.53 1qkh n VAL 45 Cb 0.55 -0.94 0.04 0.00 -0.91 0.00 0.00 33.84 32.58 1qkh n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qkh n GLY 46 N -0.85 1.40 3.03 2.92 0.00 -0.97 -4.11 105.19 106.61 1qkh n GLY 46 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1qkh n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qkh s HIS 47 N -0.98 0.19 -1.01 1.61 4.02 -1.01 -4.43 115.29 113.68 1qkh s HIS 47 Ca 0.17 -0.40 -0.11 0.00 1.02 0.00 0.00 55.06 55.74 1qkh s HIS 47 Cb 0.30 -0.14 0.26 0.00 -1.02 0.00 0.00 32.58 31.97 1qkh s HIS 47 CO -0.08 -0.23 1.00 0.99 1.02 0.00 0.00 174.74 177.43 1qkh s THR 48 N -1.50 5.85 -0.21 1.30 2.01 -0.93 -1.26 115.64 120.90 1qkh s THR 48 Ca -0.15 -3.07 -0.26 0.00 0.31 0.00 0.00 61.69 58.52 1qkh s THR 48 Cb -0.09 -4.56 -0.01 0.00 0.01 0.00 0.00 72.50 67.85 1qkh s THR 48 CO -0.00 -1.14 0.88 -0.63 -0.69 0.00 0.00 174.62 173.04 1qkh s ILE 49 N -0.70 4.82 -1.27 1.82 1.09 -0.91 -2.36 121.20 123.69 1qkh s ILE 49 Ca 0.26 1.70 -0.19 0.00 -1.10 0.00 0.00 60.65 61.33 1qkh s ILE 49 Cb -0.10 -4.17 0.02 0.00 -1.06 0.00 0.00 42.46 37.16 1qkh s ILE 49 CO -0.08 -0.06 1.81 0.00 -0.10 0.00 0.00 174.94 176.51 1qkh n ALA 50 N 5.78 3.18 -1.72 9.38 0.00 -0.01 -0.73 120.51 136.38 1qkh n ALA 50 Ca 0.07 -3.63 -0.43 0.00 0.00 0.00 0.00 53.44 49.45 1qkh n ALA 50 Cb 0.48 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.33 1qkh n ALA 50 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qkh n VAL 51 N 6.71 1.00 -2.37 0.00 0.24 -0.38 -1.31 118.33 122.23 1qkh n VAL 51 Ca 0.48 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 62.11 1qkh n VAL 51 Cb 0.46 -1.82 -0.02 0.00 -1.47 0.00 0.00 33.84 30.99 1qkh n VAL 51 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qkh s TYR 52 N -0.02 2.31 -2.00 6.34 5.04 -1.15 -1.11 117.35 126.76 1qkh s TYR 52 Ca 0.65 0.56 0.15 0.00 -2.44 0.00 0.00 57.07 55.99 1qkh s TYR 52 Cb -0.54 -4.35 0.87 0.00 0.35 0.00 0.00 41.96 38.29 1qkh s TYR 52 CO 0.49 -1.99 1.47 0.27 -1.34 0.00 0.00 175.55 174.45 1qkh n ASN 53 N 9.39 0.00 0.00 4.32 6.94 -0.30 -4.04 115.26 131.57 1qkh n ASN 53 Ca 0.14 -1.30 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 1qkh n ASN 53 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1qkh n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qkh n GLY 54 N 0.57 0.66 0.00 4.83 0.00 -1.26 -4.81 105.19 105.18 1qkh n GLY 54 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1qkh n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qkh n LYS 55 N 0.00 2.14 -4.32 1.61 2.85 -1.26 -5.03 118.16 114.15 1qkh n LYS 55 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1qkh n LYS 55 Cb 0.00 -0.48 -0.11 0.00 -0.65 0.00 0.00 35.03 33.79 1qkh n LYS 55 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1qkh s GLN 56 N -0.63 1.24 -0.49 -1.58 1.03 -1.26 -5.10 119.66 112.86 1qkh s GLN 56 Ca 0.00 -1.39 -0.17 0.00 0.04 0.00 0.00 55.36 53.84 1qkh s GLN 56 Cb 0.00 -1.25 0.07 0.00 0.03 0.00 0.00 33.01 31.86 1qkh s GLN 56 CO 0.00 0.25 0.49 -1.01 -2.54 0.00 0.00 175.29 172.48 1qkh s HIS 57 N -2.12 3.17 -0.58 9.60 3.76 -1.26 -1.15 115.29 126.70 1qkh s HIS 57 Ca 0.15 -0.81 -0.20 0.00 -0.15 0.00 0.00 55.06 54.05 1qkh s HIS 57 Cb -0.05 -3.37 0.09 0.00 1.11 0.00 0.00 32.58 30.36 1qkh s HIS 57 CO 0.06 -0.91 0.73 0.08 -0.85 0.00 0.00 174.74 173.84 1qkh s VAL 58 N 2.03 4.75 -0.85 -0.90 1.01 -0.27 -4.72 120.40 121.46 1qkh s VAL 58 Ca 0.08 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1qkh s VAL 58 Cb -0.23 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.60 1qkh s VAL 58 CO 0.08 -1.09 2.14 -2.16 0.00 0.00 0.00 175.10 174.07 1qkh s PRO 59 N 2.89 2.16 -0.36 2.72 0.04 -1.25 -1.24 135.00 139.95 1qkh s PRO 59 Ca 0.14 0.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.08 1qkh s PRO 59 Cb -0.22 -4.93 -0.00 0.00 0.04 0.00 0.00 34.50 29.39 1qkh s PRO 59 CO 0.08 -3.80 0.42 0.08 0.04 0.00 0.00 177.00 173.82 1qkh s VAL 60 N 12.01 5.10 -0.55 -0.36 1.01 0.09 -4.67 120.40 133.04 1qkh s VAL 60 Ca 0.79 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 1qkh s VAL 60 Cb -0.09 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1qkh s VAL 60 CO 0.03 -0.21 1.62 -0.47 0.00 0.00 0.00 175.10 176.08 1qkh s TYR 61 N 2.16 1.99 -0.01 5.22 6.14 -1.25 -2.13 117.35 129.47 1qkh s TYR 61 Ca 0.14 0.58 -0.25 0.00 0.64 0.00 0.00 57.07 58.18 1qkh s TYR 61 Cb -0.16 -4.26 -0.04 0.00 0.42 0.00 0.00 41.96 37.92 1qkh s TYR 61 CO 0.13 -2.25 0.77 0.42 0.64 0.00 0.00 175.55 175.25 1qkh s ILE 62 N 7.20 4.88 0.00 3.14 1.09 -0.39 -4.92 121.20 132.21 1qkh s ILE 62 Ca 0.61 1.62 0.00 0.00 -1.10 0.00 0.00 60.65 61.78 1qkh s ILE 62 Cb -0.13 -4.11 0.00 0.00 -1.06 0.00 0.00 42.46 37.15 1qkh s ILE 62 CO 0.24 0.29 0.00 0.35 -0.10 0.00 0.00 174.94 175.72 1qkh n THR 63 N 3.36 0.00 0.38 2.92 -2.24 -1.26 -2.30 114.28 115.14 1qkh n THR 63 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1qkh n THR 63 Cb 0.51 -0.90 0.19 0.00 -2.10 0.00 0.00 70.33 68.02 1qkh n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qkh n GLU 64 N 0.00 2.48 -0.49 -0.78 2.13 -1.26 -4.09 120.64 118.64 1qkh n GLU 64 Ca 0.00 -1.50 0.00 0.00 0.66 0.00 0.00 57.16 56.32 1qkh n GLU 64 Cb 0.00 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1qkh n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1qkh n ASN 65 N 0.45 0.00 -0.00 4.31 4.05 -1.26 -4.89 115.26 117.92 1qkh n ASN 65 Ca 0.13 -1.54 0.02 0.00 0.45 0.00 0.00 54.58 53.64 1qkh n ASN 65 Cb 0.54 -0.11 -0.04 0.00 1.23 0.00 0.00 39.78 41.41 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1qkh n MET 66 N 0.00 1.10 -1.47 1.20 2.81 -1.26 -5.04 117.12 114.47 1qkh n MET 66 Ca 0.00 -0.04 -0.29 0.00 -1.81 0.00 0.00 57.70 55.56 1qkh n MET 66 Cb 0.61 -1.04 0.12 0.00 -0.71 0.00 0.00 33.22 32.20 1qkh n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1qkh s VAL 67 N -2.17 2.54 0.00 2.03 0.11 -1.26 -4.43 120.40 117.22 1qkh s VAL 67 Ca -0.01 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1qkh s VAL 67 Cb 0.03 -2.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 1qkh s VAL 67 CO 0.20 -0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1qkh n GLY 68 N -1.94 1.57 0.00 6.54 0.00 -1.26 -5.00 105.19 105.10 1qkh n GLY 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1qkh n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qkh n HIS 69 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.97 115.22 118.85 1qkh n HIS 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qkh n HIS 69 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qkh n HIS 69 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qkh n LYS 70 N -0.86 0.00 0.00 -0.41 -0.00 -1.26 -4.30 118.16 111.33 1qkh n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qkh n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1qkh n LYS 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qkh n LEU 71 N 0.00 0.00 0.16 -5.58 -0.00 -1.26 -4.57 117.00 105.75 1qkh n LEU 71 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 1qkh n LEU 71 Cb 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 43.93 1qkh n LEU 71 CO 0.00 0.00 0.89 1.23 -0.00 0.00 0.00 177.39 179.51 1qkh h GLY 72 N 0.00 0.00 1.61 1.47 0.00 -1.93 -1.38 103.07 102.83 1qkh h GLY 72 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1qkh h GLY 72 CO 0.00 0.00 -0.49 0.83 0.00 0.00 0.00 176.54 176.88 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -1.69 114.58 120.14 1qkh h GLU 73 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1qkh h GLU 73 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1qkh h GLU 73 CO 0.00 0.09 -1.54 1.19 -1.16 0.00 0.00 179.01 177.59 1qkh n PHE 74 N -2.97 0.56 -2.92 4.33 3.01 -0.94 -4.43 117.46 114.10 1qkh n PHE 74 Ca 0.01 0.17 -0.18 0.00 1.01 0.00 0.00 57.45 58.46 1qkh n PHE 74 Cb 0.59 -0.83 -0.01 0.00 -0.01 0.00 0.00 39.48 39.22 1qkh n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qkh n ALA 75 N -2.29 3.23 -1.25 4.37 0.00 -0.56 -4.95 120.51 119.05 1qkh n ALA 75 Ca -0.06 -3.67 -0.20 0.00 0.00 0.00 0.00 53.44 49.51 1qkh n ALA 75 Cb 0.66 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 1qkh n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qkh n PRO 76 N 0.00 2.33 -2.32 0.00 -0.04 -0.64 -4.77 135.00 129.56 1qkh n PRO 76 Ca 0.23 -1.69 -0.42 0.00 -0.04 0.00 0.00 63.50 61.58 1qkh n PRO 76 Cb 0.66 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 1qkh n PRO 76 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qkh s THR 77 N -0.37 3.60 0.66 0.52 2.01 -1.26 -5.03 115.64 115.77 1qkh s THR 77 Ca 0.63 1.24 0.05 0.00 0.31 0.00 0.00 61.69 63.92 1qkh s THR 77 Cb 0.34 -3.79 0.12 0.00 0.01 0.00 0.00 72.50 69.17 1qkh s THR 77 CO -0.10 0.15 0.91 -0.13 -0.69 0.00 0.00 174.62 174.76 1qkh s ARG 78 N 0.43 1.91 0.47 4.92 3.00 -1.26 -5.08 118.95 123.35 1qkh s ARG 78 Ca 0.57 -1.45 -0.21 0.00 0.00 0.00 0.00 55.73 54.64 1qkh s ARG 78 Cb -0.33 -2.48 -0.09 0.00 0.00 0.00 0.00 34.95 32.05 1qkh s ARG 78 CO 0.33 -1.23 1.04 0.95 0.00 0.00 0.00 175.30 176.40 1qkh s THR 79 N -2.93 3.75 0.00 0.02 -4.23 -1.26 -5.32 115.64 105.67 1qkh s THR 79 Ca 0.65 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 62.30 1qkh s THR 79 Cb -0.05 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1qkh s THR 79 CO 0.42 -0.19 0.00 -1.22 -0.54 0.00 0.00 174.62 173.09