#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfh s VAL 2 N 0.00 3.99 0.07 9.51 1.01 -1.26 -1.13 120.40 132.58 1kfh s VAL 2 Ca 0.00 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.95 1kfh s VAL 2 Cb 0.00 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1kfh s VAL 2 CO 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 175.10 173.78 1kfh s HIS 4 N -1.10 2.01 -0.12 0.00 3.76 -1.26 -0.45 115.29 118.12 1kfh s HIS 4 Ca 0.01 0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 1kfh s HIS 4 Cb -0.09 -4.01 -0.03 0.00 1.11 0.00 0.00 32.58 29.56 1kfh s HIS 4 CO 0.02 -3.09 -0.04 0.95 -0.85 0.00 0.00 174.74 171.74 1kfh s THR 5 N 5.44 3.94 -0.87 1.30 -4.23 0.03 -2.55 115.64 118.69 1kfh s THR 5 Ca 0.74 -0.36 0.24 0.00 -1.18 0.00 0.00 61.69 61.13 1kfh s THR 5 Cb -0.26 -2.69 0.22 0.00 1.34 0.00 0.00 72.50 71.12 1kfh s THR 5 CO 0.30 0.54 1.75 0.35 -0.54 0.00 0.00 174.62 177.02 1kfh n THR 6 N 3.00 0.49 0.35 3.99 -2.24 0.65 -2.72 114.28 117.81 1kfh n THR 6 Ca -0.18 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1kfh n THR 6 Cb 0.53 -0.74 0.54 0.00 -2.10 0.00 0.00 70.33 68.56 1kfh n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfh h ALA 7 N 2.67 1.00 -3.70 6.98 0.00 -1.94 -3.43 119.26 120.84 1kfh h ALA 7 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1kfh h ALA 7 Cb 0.47 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.04 1kfh h ALA 7 CO 0.00 0.00 -0.73 0.95 0.00 0.00 0.00 179.25 179.47 1kfh s THR 8 N -3.40 3.37 -0.22 0.00 -4.23 -1.16 -5.10 115.64 104.89 1kfh s THR 8 Ca 0.03 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1kfh s THR 8 Cb 0.09 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.59 1kfh s THR 8 CO 0.38 0.57 -0.14 -0.55 -0.54 0.00 0.00 174.62 174.35 1kfh s SER 9 N -0.45 3.82 0.64 3.99 0.15 -1.26 -2.07 113.70 118.52 1kfh s SER 9 Ca 0.06 -0.94 -0.15 0.00 0.70 0.00 0.00 55.95 55.62 1kfh s SER 9 Cb -0.12 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 1kfh s SER 9 CO 0.02 -0.09 1.08 -2.16 1.20 0.00 0.00 173.24 173.29 1kfh s PRO 10 N 1.24 3.01 -0.35 5.44 0.04 -1.26 -5.05 135.00 138.07 1kfh s PRO 10 Ca -0.01 1.27 -0.40 0.00 0.04 0.00 0.00 61.00 61.91 1kfh s PRO 10 Cb -0.16 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 1kfh s PRO 10 CO -0.08 -1.06 1.93 -0.89 0.04 0.00 0.00 177.00 176.93 1kfh n ILE 11 N -2.34 0.20 -4.11 0.56 5.41 -0.88 -4.94 119.36 113.26 1kfh n ILE 11 Ca 0.09 -0.10 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 1kfh n ILE 11 Cb 0.52 -1.17 -0.11 0.00 -0.71 0.00 0.00 39.64 38.17 1kfh n ILE 11 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1kfh s SER 12 N 5.01 1.10 -0.77 4.38 1.04 -1.10 -4.89 113.70 118.47 1kfh s SER 12 Ca 1.06 -0.64 -0.26 0.00 0.48 0.00 0.00 55.95 56.58 1kfh s SER 12 Cb -1.12 0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.05 1kfh s SER 12 CO 0.62 -0.22 1.40 0.00 0.98 0.00 0.00 173.24 176.02 1kfh s ALA 13 N -1.74 2.64 0.04 5.32 0.00 -1.26 -0.79 121.76 125.97 1kfh s ALA 13 Ca -0.04 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.55 1kfh s ALA 13 Cb -0.07 -4.32 -0.03 0.00 0.00 0.00 0.00 23.12 18.69 1kfh s ALA 13 CO 0.00 -3.46 -0.10 0.14 0.00 0.00 0.00 175.76 172.34 1kfh s VAL 14 N 6.17 3.36 -0.90 0.00 -7.23 0.40 -4.75 120.40 117.45 1kfh s VAL 14 Ca 0.42 -0.99 -0.25 0.00 -1.81 0.00 0.00 61.98 59.35 1kfh s VAL 14 Cb -0.07 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1kfh s VAL 14 CO 0.11 0.32 1.37 -0.89 -0.31 0.00 0.00 175.10 175.70 1kfh s THR 15 N -1.03 3.85 0.14 5.32 2.01 -1.26 -0.60 115.64 124.07 1kfh s THR 15 Ca 0.17 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 1kfh s THR 15 Cb -0.11 -4.99 -0.07 0.00 0.01 0.00 0.00 72.50 67.34 1kfh s THR 15 CO 0.08 -1.89 1.12 0.00 -0.69 0.00 0.00 174.62 173.24 1kfh n PRO 17 N 2.81 0.58 -0.94 0.00 -0.02 -1.26 -2.61 135.00 133.57 1kfh n PRO 17 Ca 0.04 0.22 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 1kfh n PRO 17 Cb 0.46 -1.64 0.08 0.00 -0.02 0.00 0.00 33.50 32.38 1kfh n PRO 17 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1kfh n PRO 18 N 0.22 -0.10 -2.49 0.52 -0.02 -1.26 -4.07 135.00 127.80 1kfh n PRO 18 Ca 0.11 -0.01 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 1kfh n PRO 18 Cb 0.44 -1.45 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1kfh n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfh n GLY 19 N 2.41 0.59 3.15 -1.23 0.00 -1.26 -5.06 105.19 103.78 1kfh n GLY 19 Ca 0.03 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1kfh n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kfh s GLU 20 N -4.83 0.31 0.00 1.61 -6.30 -1.26 -2.86 118.70 105.38 1kfh s GLU 20 Ca 0.05 0.33 0.00 0.00 -2.50 0.00 0.00 54.97 52.85 1kfh s GLU 20 Cb -0.02 0.15 0.00 0.00 0.00 0.00 0.00 34.13 34.26 1kfh s GLU 20 CO 0.11 -0.56 0.00 0.09 0.02 0.00 0.00 175.26 174.92 1kfh n ASN 21 N 5.25 2.41 -4.32 -1.70 4.13 -0.26 -2.31 115.26 118.47 1kfh n ASN 21 Ca 0.06 -0.11 -0.28 0.00 1.68 0.00 0.00 54.58 55.93 1kfh n ASN 21 Cb 0.56 0.71 -0.14 0.00 -1.54 0.00 0.00 39.78 39.37 1kfh n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1kfh s LEU 22 N -1.90 2.20 -0.02 3.41 1.43 0.11 -4.37 118.68 119.55 1kfh s LEU 22 Ca 0.00 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1kfh s LEU 22 Cb 0.00 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1kfh s LEU 22 CO 0.00 0.20 -0.05 0.00 0.23 0.00 0.00 176.35 176.73 1kfh s TYR 24 N -0.97 0.07 -0.30 0.00 -0.85 -0.18 -0.32 117.35 114.81 1kfh s TYR 24 Ca 0.16 -0.15 -0.11 0.00 -0.52 0.00 0.00 57.07 56.45 1kfh s TYR 24 Cb -0.11 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 1kfh s TYR 24 CO 0.06 -0.18 0.17 1.03 -1.52 0.00 0.00 175.55 175.11 1kfh s ARG 25 N -0.98 3.65 -0.91 -3.49 0.52 -0.61 -1.34 118.95 115.79 1kfh s ARG 25 Ca -0.11 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.52 1kfh s ARG 25 Cb -0.06 -3.62 0.23 0.00 0.52 0.00 0.00 34.95 32.02 1kfh s ARG 25 CO 0.00 -0.30 0.83 0.21 0.02 0.00 0.00 175.30 176.07 1kfh s LYS 26 N 1.69 3.52 -0.13 3.54 2.20 0.16 -0.91 119.74 129.81 1kfh s LYS 26 Ca 0.06 -3.03 0.01 0.00 -0.36 0.00 0.00 55.97 52.66 1kfh s LYS 26 Cb -0.16 -4.19 -0.00 0.00 -1.51 0.00 0.00 37.83 31.97 1kfh s LYS 26 CO 0.09 -1.25 -0.18 0.00 -0.36 0.00 0.00 175.35 173.65 1kfh s MET 27 N -0.90 3.19 -0.03 4.03 0.23 -0.32 -0.19 119.30 125.32 1kfh s MET 27 Ca 0.25 -0.78 -0.16 0.00 -1.03 0.00 0.00 55.69 53.98 1kfh s MET 27 Cb -0.10 -2.53 0.03 0.00 -1.53 0.00 0.00 34.83 30.70 1kfh s MET 27 CO -0.09 0.09 0.35 1.67 -2.03 0.00 0.00 175.02 175.01 1kfh s TRP 28 N 0.60 -0.24 -0.04 3.16 -2.14 -0.09 -0.02 118.94 120.17 1kfh s TRP 28 Ca -0.10 0.41 -0.30 0.00 2.66 0.00 0.00 56.10 58.77 1kfh s TRP 28 Cb -0.16 0.13 -0.04 0.00 -3.10 0.00 0.00 33.47 30.30 1kfh s TRP 28 CO 0.03 -0.39 1.28 0.00 -2.66 0.00 0.00 176.95 175.20 1kfh n ASP 30 N 5.30 0.00 -1.74 0.00 5.68 -0.58 -4.87 116.55 120.34 1kfh n ASP 30 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1kfh n ASP 30 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1kfh n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kfh n ALA 31 N -0.90 0.00 -0.91 2.12 0.00 -1.16 -4.92 120.51 114.74 1kfh n ALA 31 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1kfh n ALA 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1kfh n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1kfh n PHE 32 N 0.00 1.66 0.00 0.00 3.01 -1.01 -4.74 117.46 116.37 1kfh n PHE 32 Ca 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 57.45 56.38 1kfh n PHE 32 Cb 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 39.48 37.68 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kfh h SER 34 N 0.00 0.10 0.00 0.00 4.64 -1.89 -2.37 113.55 114.02 1kfh h SER 34 Ca 0.00 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1kfh h SER 34 Cb 0.00 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1kfh h SER 34 CO 0.00 0.04 -1.55 -1.54 -0.87 0.00 0.00 176.83 172.91 1kfh n SER 35 N -4.35 1.55 -3.33 4.97 3.41 0.05 -4.94 113.62 110.97 1kfh n SER 35 Ca 0.16 0.07 -0.27 0.00 -0.26 0.00 0.00 58.87 58.57 1kfh n SER 35 Cb 0.81 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1kfh n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kfh n ARG 36 N -3.22 2.48 -0.59 4.33 1.74 0.04 -5.03 116.66 116.41 1kfh n ARG 36 Ca -0.19 -4.58 0.00 0.00 -0.77 0.00 0.00 57.85 52.31 1kfh n ARG 36 Cb 0.65 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1kfh n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kfh n GLY 37 N 0.72 -3.70 2.93 -0.13 0.00 -0.90 -1.92 105.19 102.19 1kfh n GLY 37 Ca 0.29 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 1kfh n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kfh s LYS 38 N -4.47 1.18 -0.58 1.61 -2.85 -0.57 -1.53 119.74 112.53 1kfh s LYS 38 Ca 0.00 -0.21 -0.28 0.00 -1.00 0.00 0.00 55.97 54.48 1kfh s LYS 38 Cb 0.00 -1.12 0.02 0.00 -2.06 0.00 0.00 37.83 34.68 1kfh s LYS 38 CO 0.00 -0.08 1.32 0.08 0.10 0.00 0.00 175.35 176.77 1kfh s VAL 39 N 0.99 3.87 -0.41 1.79 1.01 0.78 -1.51 120.40 126.92 1kfh s VAL 39 Ca -0.09 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 1kfh s VAL 39 Cb -0.14 -4.58 0.10 0.00 0.00 0.00 0.00 36.38 31.76 1kfh s VAL 39 CO 0.00 -1.27 0.21 -0.69 0.00 0.00 0.00 175.10 173.35 1kfh s VAL 40 N 5.61 3.53 -0.22 2.92 1.01 -0.37 -0.92 120.40 131.96 1kfh s VAL 40 Ca 0.48 -1.85 -0.08 0.00 0.00 0.00 0.00 61.98 60.53 1kfh s VAL 40 Cb -0.09 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1kfh s VAL 40 CO 0.25 -0.61 0.10 -0.70 0.00 0.00 0.00 175.10 174.13 1kfh s GLU 41 N 1.23 3.91 -0.29 2.72 -6.30 0.74 -4.90 118.70 115.81 1kfh s GLU 41 Ca 0.06 -0.36 -0.04 0.00 -2.50 0.00 0.00 54.97 52.12 1kfh s GLU 41 Cb -0.23 -3.35 0.03 0.00 0.00 0.00 0.00 34.13 30.58 1kfh s GLU 41 CO -0.02 0.08 0.03 -0.51 0.02 0.00 0.00 175.26 174.85 1kfh s LEU 42 N 0.94 3.73 0.00 2.70 1.43 -1.26 0.40 118.68 126.61 1kfh s LEU 42 Ca 0.05 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.28 1kfh s LEU 42 Cb -0.14 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1kfh s LEU 42 CO 0.03 -0.20 0.16 0.61 0.23 0.00 0.00 176.35 177.18 1kfh n GLY 43 N 4.76 3.33 3.13 -3.19 0.00 -0.45 -0.25 105.19 112.52 1kfh n GLY 43 Ca -0.15 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 43.74 1kfh n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfh s ALA 45 N -0.69 -2.12 -2.07 0.00 0.00 -0.37 -5.00 121.76 111.51 1kfh s ALA 45 Ca 0.03 1.12 0.12 0.00 0.00 0.00 0.00 51.96 53.23 1kfh s ALA 45 Cb -0.07 0.14 0.44 0.00 0.00 0.00 0.00 23.12 23.63 1kfh s ALA 45 CO 0.01 -0.82 1.33 0.00 0.00 0.00 0.00 175.76 176.27 1kfh n ALA 46 N -0.29 2.48 -3.50 0.00 0.00 -1.13 0.09 120.51 118.17 1kfh n ALA 46 Ca -0.04 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 1kfh n ALA 46 Cb 0.60 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 1kfh n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kfh s THR 47 N -1.70 -0.00 0.04 0.00 2.01 -1.26 -4.77 115.64 109.95 1kfh s THR 47 Ca 0.23 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 1kfh s THR 47 Cb 0.12 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.78 1kfh s THR 47 CO 0.17 0.00 1.36 0.00 -0.69 0.00 0.00 174.62 175.46 1kfh s PRO 49 N 1.84 4.31 0.00 0.00 0.02 -1.26 -4.88 135.00 135.02 1kfh s PRO 49 Ca 0.63 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1kfh s PRO 49 Cb -0.32 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1kfh s PRO 49 CO 0.28 -0.35 0.69 -1.13 -0.33 0.00 0.00 177.00 176.15 1kfh n SER 50 N 2.29 1.96 -4.16 2.53 3.41 -1.26 -4.42 113.62 113.96 1kfh n SER 50 Ca 0.06 -1.57 -0.39 0.00 -0.26 0.00 0.00 58.87 56.71 1kfh n SER 50 Cb 0.41 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.90 1kfh n SER 50 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kfh s LYS 51 N -0.09 3.02 0.00 4.33 1.02 -1.26 -4.74 119.74 122.03 1kfh s LYS 51 Ca 0.00 -2.69 0.00 0.00 0.02 0.00 0.00 55.97 53.30 1kfh s LYS 51 Cb 0.00 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 1kfh s LYS 51 CO 0.00 -1.22 0.00 0.36 -0.92 0.00 0.00 175.35 173.57 1kfh n LYS 52 N 3.35 0.00 -1.57 1.68 2.85 -1.26 -4.55 118.16 118.66 1kfh n LYS 52 Ca 0.13 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.98 1kfh n LYS 52 Cb 0.40 -0.49 -0.01 0.00 -0.65 0.00 0.00 35.03 34.28 1kfh n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1kfh n PRO 53 N -1.03 3.19 0.00 -1.58 -0.04 -1.26 -1.16 135.00 133.11 1kfh n PRO 53 Ca 0.00 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 1kfh n PRO 53 Cb 0.00 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 1kfh n PRO 53 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1kfh n TYR 54 N 5.10 0.00 -5.02 0.54 4.11 -1.26 -5.15 117.16 115.48 1kfh n TYR 54 Ca 0.63 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 58.24 1kfh n TYR 54 Cb 0.33 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.51 1kfh n TYR 54 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1kfh s GLU 55 N 0.00 2.03 -0.88 -3.48 2.12 -0.31 -4.53 118.70 113.65 1kfh s GLU 55 Ca 0.00 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.46 1kfh s GLU 55 Cb 0.00 -1.78 0.23 0.00 0.26 0.00 0.00 34.13 32.84 1kfh s GLU 55 CO 0.00 0.33 0.83 -2.00 -0.54 0.00 0.00 175.26 173.88 1kfh s GLU 56 N -0.13 3.71 -1.27 4.30 2.12 0.98 -4.25 118.70 124.16 1kfh s GLU 56 Ca -0.02 -2.60 -0.14 0.00 0.36 0.00 0.00 54.97 52.58 1kfh s GLU 56 Cb -0.12 -4.45 0.14 0.00 0.26 0.00 0.00 34.13 29.96 1kfh s GLU 56 CO 0.02 -1.28 1.68 1.33 -0.54 0.00 0.00 175.26 176.47 1kfh n VAL 57 N 3.75 4.13 -2.46 3.70 0.24 -1.24 -1.17 118.33 125.28 1kfh n VAL 57 Ca 0.16 -4.35 -0.38 0.00 -2.04 0.00 0.00 64.34 57.72 1kfh n VAL 57 Cb 0.46 -2.43 -0.03 0.00 -1.47 0.00 0.00 33.84 30.37 1kfh n VAL 57 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1kfh s THR 58 N 2.00 3.87 0.03 3.34 -4.23 -0.09 -4.91 115.64 115.66 1kfh s THR 58 Ca 0.45 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1kfh s THR 58 Cb 0.03 -4.90 -0.05 0.00 1.34 0.00 0.00 72.50 68.92 1kfh s THR 58 CO 0.01 -1.75 0.27 0.00 -0.54 0.00 0.00 174.62 172.61 1kfh n SER 61 N 2.24 5.17 -4.32 0.00 3.41 -1.26 0.03 113.62 118.89 1kfh n SER 61 Ca -0.16 -3.72 -0.17 0.00 -0.26 0.00 0.00 58.87 54.57 1kfh n SER 61 Cb 0.56 -0.83 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 1kfh n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1kfh s THR 62 N -3.98 1.25 0.12 6.66 -4.23 -1.26 -4.89 115.64 109.31 1kfh s THR 62 Ca 0.58 -2.08 -0.31 0.00 -1.18 0.00 0.00 61.69 58.70 1kfh s THR 62 Cb 0.48 -2.16 -0.10 0.00 1.34 0.00 0.00 72.50 72.06 1kfh s THR 62 CO 0.04 -0.49 1.77 1.51 -0.54 0.00 0.00 174.62 176.91 1kfh s ASP 63 N -3.28 6.47 -0.71 3.99 -4.77 -1.26 -2.90 116.67 114.21 1kfh s ASP 63 Ca 0.24 2.70 0.00 0.00 -3.30 0.00 0.00 52.55 52.19 1kfh s ASP 63 Cb 0.04 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1kfh s ASP 63 CO 0.06 -0.97 0.00 0.29 0.70 0.00 0.00 175.17 175.25 1kfh n LYS 64 N 5.51 -1.28 0.24 2.11 5.02 0.13 -4.90 118.16 124.99 1kfh n LYS 64 Ca 0.17 0.66 0.16 0.00 -2.02 0.00 0.00 58.31 57.28 1kfh n LYS 64 Cb 0.39 -4.77 0.65 0.00 -0.02 0.00 0.00 35.03 31.27 1kfh n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kfh n ASN 66 N -2.85 6.42 -4.73 0.00 6.94 -1.26 -4.91 115.26 114.87 1kfh n ASN 66 Ca 0.01 -3.46 -0.42 0.00 -0.02 0.00 0.00 54.58 50.69 1kfh n ASN 66 Cb 0.27 -1.22 -0.03 0.00 -2.36 0.00 0.00 39.78 36.45 1kfh n ASN 66 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1kfh s PRO 67 N -3.03 4.35 -0.23 -0.53 0.04 -1.25 -4.51 135.00 129.83 1kfh s PRO 67 Ca 0.33 2.07 -0.34 0.00 0.04 0.00 0.00 61.00 63.11 1kfh s PRO 67 Cb 0.08 -3.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.30 1kfh s PRO 67 CO 0.07 -0.34 2.07 1.58 0.04 0.00 0.00 177.00 180.41 1kfh n HIS 68 N 3.22 1.95 -2.45 0.56 -0.00 -1.26 -4.97 115.22 112.27 1kfh n HIS 68 Ca 0.09 0.10 -0.41 0.00 -0.00 0.00 0.00 57.72 57.49 1kfh n HIS 68 Cb 0.42 -2.62 -0.04 0.00 -0.00 0.00 0.00 29.99 27.76 1kfh n HIS 68 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1kfh s PRO 69 N 5.41 4.52 -0.65 1.57 0.04 -1.26 -4.97 135.00 139.67 1kfh s PRO 69 Ca 1.01 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 63.59 1kfh s PRO 69 Cb -0.70 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 30.61 1kfh s PRO 69 CO 0.48 -0.06 1.09 0.21 0.04 0.00 0.00 177.00 178.76 1kfh s LYS 70 N 0.00 3.24 0.00 4.56 2.47 -1.26 -4.85 119.74 123.90 1kfh s LYS 70 Ca 0.53 -0.37 0.00 0.00 -1.56 0.00 0.00 55.97 54.56 1kfh s LYS 70 Cb -0.30 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 31.92 1kfh s LYS 70 CO 0.34 -1.83 0.00 0.00 0.16 0.00 0.00 175.35 174.02 1kfh n GLN 71 N 8.28 0.00 -3.65 4.03 -0.00 -1.26 -5.10 117.38 119.68 1kfh n GLN 71 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.67 1kfh n GLN 71 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 30.24 30.64 1kfh n GLN 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1kfh n ARG 72 N 0.00 2.57 0.00 2.61 0.63 -1.26 -4.98 116.66 116.23 1kfh n ARG 72 Ca 0.00 -4.50 0.06 0.00 -0.92 0.00 0.00 57.85 52.49 1kfh n ARG 72 Cb 0.00 -2.38 0.35 0.00 0.45 0.00 0.00 32.46 30.87 1kfh n ARG 72 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1kfh n PRO 73 N 2.10 0.34 0.00 -0.14 -0.04 -1.25 -2.28 135.00 133.72 1kfh n PRO 73 Ca 0.22 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 1kfh n PRO 73 Cb 0.37 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.40 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87