#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 4.66 0.07 9.51 1.01 -1.26 -4.15 120.40 130.24 1kfh s VAL 2 Ca 0.00 1.52 0.08 0.00 0.00 0.00 0.00 61.98 63.59 1kfh s VAL 2 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1kfh s VAL 2 CO 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 175.10 174.54 1kfh s HIS 4 N -0.95 3.24 -0.17 0.00 3.76 -1.26 -0.08 115.29 119.84 1kfh s HIS 4 Ca 0.09 1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 55.96 1kfh s HIS 4 Cb -0.09 -3.62 -0.03 0.00 1.11 0.00 0.00 32.58 29.94 1kfh s HIS 4 CO 0.03 -2.15 -0.01 -0.08 -0.85 0.00 0.00 174.74 171.68 1kfh s THR 5 N 1.25 4.11 -1.38 1.30 -1.32 0.37 -2.21 115.64 117.76 1kfh s THR 5 Ca 0.63 -0.28 0.30 0.00 -1.21 0.00 0.00 61.69 61.13 1kfh s THR 5 Cb -0.35 -2.82 0.47 0.00 -1.51 0.00 0.00 72.50 68.30 1kfh s THR 5 CO 0.30 0.48 2.01 0.41 -2.21 0.00 0.00 174.62 175.61 1kfh n THR 6 N 3.61 0.00 0.43 5.08 -1.04 0.38 -2.56 114.28 120.17 1kfh n THR 6 Ca -0.17 -0.01 0.06 0.00 -2.04 0.00 0.00 64.05 61.89 1kfh n THR 6 Cb 0.52 -0.45 0.26 0.00 -1.82 0.00 0.00 70.33 68.84 1kfh n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kfh n ALA 7 N -1.29 1.56 -2.52 2.41 0.00 -1.26 -4.68 120.51 114.73 1kfh n ALA 7 Ca 0.13 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 1kfh n ALA 7 Cb 0.26 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 1kfh n ALA 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kfh s THR 8 N -2.94 1.28 -0.31 0.00 -4.23 -1.25 -5.11 115.64 103.08 1kfh s THR 8 Ca 0.06 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 59.81 1kfh s THR 8 Cb 0.08 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.88 1kfh s THR 8 CO 0.21 0.35 0.07 -0.44 -0.54 0.00 0.00 174.62 174.27 1kfh s SER 9 N -0.40 5.12 0.64 3.99 0.01 -1.26 -1.77 113.70 120.03 1kfh s SER 9 Ca 0.06 -0.97 -0.15 0.00 1.31 0.00 0.00 55.95 56.21 1kfh s SER 9 Cb -0.06 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.31 1kfh s SER 9 CO -0.01 -0.25 1.08 -2.16 0.41 0.00 0.00 173.24 172.31 1kfh s PRO 10 N 1.42 2.99 0.10 12.44 0.04 -1.22 -4.92 135.00 145.85 1kfh s PRO 10 Ca -0.00 1.26 -0.33 0.00 0.04 0.00 0.00 61.00 61.98 1kfh s PRO 10 Cb -0.18 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 1kfh s PRO 10 CO 0.02 -1.08 1.77 -0.89 0.04 0.00 0.00 177.00 176.86 1kfh n ILE 11 N -2.38 0.29 -4.45 0.56 5.41 -0.56 -4.92 119.36 113.31 1kfh n ILE 11 Ca 0.09 -0.05 -0.28 0.00 1.00 0.00 0.00 62.75 63.52 1kfh n ILE 11 Cb 0.53 -1.90 -0.13 0.00 -0.71 0.00 0.00 39.64 37.42 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 2.40 3.04 -0.58 4.38 1.04 -1.06 -4.88 113.70 118.04 1kfh s SER 12 Ca 0.83 -0.70 -0.22 0.00 0.48 0.00 0.00 55.95 56.35 1kfh s SER 12 Cb -0.58 -0.21 0.06 0.00 0.10 0.00 0.00 66.02 65.40 1kfh s SER 12 CO 0.40 0.16 0.83 0.00 0.98 0.00 0.00 173.24 175.61 1kfh s ALA 13 N -1.03 3.24 0.14 5.32 0.00 -1.26 -0.48 121.76 127.69 1kfh s ALA 13 Ca 0.11 -1.72 0.10 0.00 0.00 0.00 0.00 51.96 50.46 1kfh s ALA 13 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1kfh s ALA 13 CO 0.05 -2.42 -0.24 0.14 0.00 0.00 0.00 175.76 173.29 1kfh s VAL 14 N 3.46 2.13 -0.55 0.00 -7.23 0.89 -4.86 120.40 114.24 1kfh s VAL 14 Ca 0.21 -1.79 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 1kfh s VAL 14 Cb -0.17 -1.92 0.14 0.00 0.56 0.00 0.00 36.38 34.99 1kfh s VAL 14 CO 0.12 -0.02 0.39 -0.89 -0.31 0.00 0.00 175.10 174.39 1kfh s THR 15 N -1.31 4.04 -0.37 5.32 2.01 -1.26 -0.23 115.64 123.85 1kfh s THR 15 Ca 0.14 -2.27 -0.27 0.00 0.31 0.00 0.00 61.69 59.60 1kfh s THR 15 Cb -0.09 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1kfh s THR 15 CO 0.07 -0.82 2.24 0.00 -0.69 0.00 0.00 174.62 175.42 1kfh h PRO 17 N 16.79 1.00 -5.83 0.00 0.11 -1.96 -3.39 132.00 138.72 1kfh h PRO 17 Ca -0.32 -0.06 -0.63 0.00 0.11 0.00 0.00 66.00 65.10 1kfh h PRO 17 Cb 1.24 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 1kfh h PRO 17 CO 1.07 0.66 -0.32 -1.25 -0.21 0.00 0.00 178.00 177.95 1kfh s PRO 18 N -6.08 3.76 -1.06 1.05 0.04 -1.26 -4.75 135.00 126.70 1kfh s PRO 18 Ca -0.13 0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.03 1kfh s PRO 18 Cb 0.18 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 1kfh s PRO 18 CO 0.79 0.69 0.92 0.41 0.04 0.00 0.00 177.00 179.86 1kfh n GLY 19 N 1.99 -1.14 2.79 0.56 0.00 -1.26 -4.95 105.19 103.18 1kfh n GLY 19 Ca -0.16 0.57 -0.16 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.47 0.26 0.00 1.61 2.12 -1.26 -0.99 118.70 115.97 1kfh s GLU 20 Ca 0.44 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.97 1kfh s GLU 20 Cb -0.06 -0.91 0.00 0.00 0.26 0.00 0.00 34.13 33.42 1kfh s GLU 20 CO 0.74 -0.75 0.00 0.09 -0.54 0.00 0.00 175.26 174.81 1kfh n ASN 21 N 5.33 3.40 -4.39 -1.70 4.13 -0.05 -4.21 115.26 117.77 1kfh n ASN 21 Ca -0.04 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 55.97 1kfh n ASN 21 Cb 0.49 0.51 -0.12 0.00 -1.54 0.00 0.00 39.78 39.12 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 -2.55 2.43 -0.06 3.41 1.02 0.14 -4.50 118.68 118.58 1kfh s LEU 22 Ca 0.00 -0.86 0.03 0.00 0.02 0.00 0.00 54.13 53.32 1kfh s LEU 22 Cb 0.00 -1.03 -0.02 0.00 0.02 0.00 0.00 46.19 45.15 1kfh s LEU 22 CO 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 176.35 176.29 1kfh s TYR 24 N -0.62 1.77 -0.53 0.00 -0.85 0.03 -0.41 117.35 116.75 1kfh s TYR 24 Ca 0.09 -0.44 -0.01 0.00 -0.52 0.00 0.00 57.07 56.19 1kfh s TYR 24 Cb -0.11 -0.94 0.14 0.00 0.38 0.00 0.00 41.96 41.43 1kfh s TYR 24 CO 0.01 0.24 0.32 0.50 -1.52 0.00 0.00 175.55 175.10 1kfh s ARG 25 N -2.21 2.24 -0.85 -3.49 6.06 0.29 -2.12 118.95 118.88 1kfh s ARG 25 Ca 0.09 -2.31 -0.17 0.00 -2.50 0.00 0.00 55.73 50.84 1kfh s ARG 25 Cb -0.08 -3.59 0.15 0.00 0.06 0.00 0.00 34.95 31.49 1kfh s ARG 25 CO 0.05 -1.12 0.95 0.15 -2.50 0.00 0.00 175.30 172.83 1kfh s LYS 26 N 0.29 3.52 -0.20 5.12 1.02 0.61 -1.19 119.74 128.91 1kfh s LYS 26 Ca 0.14 -1.91 -0.01 0.00 0.02 0.00 0.00 55.97 54.21 1kfh s LYS 26 Cb -0.22 -4.66 0.01 0.00 -0.52 0.00 0.00 37.83 32.44 1kfh s LYS 26 CO -0.03 -1.59 -0.12 0.00 -0.92 0.00 0.00 175.35 172.69 1kfh s MET 27 N 1.91 3.19 0.01 1.68 0.23 -0.11 -0.09 119.30 126.12 1kfh s MET 27 Ca 0.25 -0.72 0.01 0.00 -1.03 0.00 0.00 55.69 54.20 1kfh s MET 27 Cb -0.09 -2.80 -0.01 0.00 -1.53 0.00 0.00 34.83 30.40 1kfh s MET 27 CO -0.07 -0.20 -0.04 1.67 -2.03 0.00 0.00 175.02 174.35 1kfh s TRP 28 N 1.38 0.39 -0.19 3.16 -2.14 -0.13 -0.27 118.94 121.15 1kfh s TRP 28 Ca 0.05 -0.23 -0.29 0.00 2.66 0.00 0.00 56.10 58.29 1kfh s TRP 28 Cb -0.14 -0.25 -0.02 0.00 -3.10 0.00 0.00 33.47 29.97 1kfh s TRP 28 CO -0.08 -0.05 1.33 0.00 -2.66 0.00 0.00 176.95 175.50 1kfh n ASP 30 N 7.01 0.00 -1.59 0.00 5.68 -0.90 -4.91 116.55 121.84 1kfh n ASP 30 Ca 0.15 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1kfh n ASP 30 Cb 0.45 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.58 0.00 -0.76 2.12 0.00 -1.14 -4.92 120.51 115.23 1kfh n ALA 31 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 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 1.20 0.00 0.00 3.01 -1.09 -4.75 117.46 115.83 1kfh n PHE 32 Ca 0.00 -1.87 0.00 0.00 1.01 0.00 0.00 57.45 56.59 1kfh n PHE 32 Cb 0.00 -1.64 0.00 0.00 -0.01 0.00 0.00 39.48 37.83 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 0.00 0.00 0.00 4.64 -1.89 -1.99 113.55 114.30 1kfh h SER 34 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1kfh h SER 34 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1kfh h SER 34 CO 0.00 0.00 -1.46 -1.54 -0.87 0.00 0.00 176.83 172.96 1kfh n SER 35 N -4.14 1.02 -3.37 4.97 3.41 0.14 -4.94 113.62 110.71 1kfh n SER 35 Ca 0.14 0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.60 1kfh n SER 35 Cb 0.82 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 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 -3.65 3.64 -0.61 4.33 1.74 -0.13 -5.02 116.66 116.97 1kfh n ARG 36 Ca -0.21 -4.73 0.00 0.00 -0.77 0.00 0.00 57.85 52.13 1kfh n ARG 36 Cb 0.59 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 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 0.33 -3.62 2.91 -0.13 0.00 -0.76 -2.14 105.19 101.78 1kfh n GLY 37 Ca 0.33 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 1kfh n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kfh s LYS 38 N -5.10 1.09 -0.95 1.61 2.20 -1.26 -2.11 119.74 115.22 1kfh s LYS 38 Ca 0.00 -0.17 -0.24 0.00 -0.36 0.00 0.00 55.97 55.21 1kfh s LYS 38 Cb 0.00 -1.09 0.05 0.00 -1.51 0.00 0.00 37.83 35.28 1kfh s LYS 38 CO 0.00 -0.11 1.38 0.08 -0.36 0.00 0.00 175.35 176.34 1kfh s VAL 39 N 1.11 3.94 -0.57 4.02 1.01 0.85 -4.89 120.40 125.88 1kfh s VAL 39 Ca -0.07 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1kfh s VAL 39 Cb -0.14 -5.00 0.07 0.00 0.00 0.00 0.00 36.38 31.31 1kfh s VAL 39 CO -0.01 -1.88 0.74 0.68 0.00 0.00 0.00 175.10 174.63 1kfh s VAL 40 N 4.96 4.71 -0.44 2.92 -7.23 -1.26 -0.96 120.40 123.10 1kfh s VAL 40 Ca 0.42 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.93 1kfh s VAL 40 Cb -0.02 -4.45 0.08 0.00 0.56 0.00 0.00 36.38 32.55 1kfh s VAL 40 CO -0.05 -1.06 0.31 -0.70 -0.31 0.00 0.00 175.10 173.30 1kfh s GLU 41 N 3.03 2.68 -0.48 4.82 2.56 0.87 -4.94 118.70 127.25 1kfh s GLU 41 Ca 0.17 -1.49 -0.17 0.00 0.00 0.00 0.00 54.97 53.48 1kfh s GLU 41 Cb -0.20 -3.90 0.06 0.00 2.00 0.00 0.00 34.13 32.09 1kfh s GLU 41 CO 0.10 -1.02 0.49 -0.51 -0.56 0.00 0.00 175.26 173.77 1kfh s LEU 42 N 1.47 5.22 0.00 2.70 2.01 -1.25 -0.28 118.68 128.54 1kfh s LEU 42 Ca 0.04 -1.04 0.00 0.00 0.01 0.00 0.00 54.13 53.14 1kfh s LEU 42 Cb -0.24 -2.32 0.00 0.00 0.01 0.00 0.00 46.19 43.64 1kfh s LEU 42 CO 0.03 -0.73 0.00 0.61 1.01 0.00 0.00 176.35 177.27 1kfh n GLY 43 N 5.17 4.63 3.40 -3.19 0.00 -0.90 -0.47 105.19 113.84 1kfh n GLY 43 Ca -0.09 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.83 -1.46 -1.78 0.00 0.00 -0.22 -4.93 121.76 112.54 1kfh s ALA 45 Ca 0.13 1.40 0.30 0.00 0.00 0.00 0.00 51.96 53.78 1kfh s ALA 45 Cb -0.10 -0.57 1.43 0.00 0.00 0.00 0.00 23.12 23.88 1kfh s ALA 45 CO 0.03 -0.30 1.97 0.00 0.00 0.00 0.00 175.76 177.46 1kfh n ALA 46 N 2.05 2.67 -3.64 0.00 0.00 -0.16 0.27 120.51 121.70 1kfh n ALA 46 Ca -0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 1kfh n ALA 46 Cb 0.56 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.33 0.00 -0.05 0.00 2.01 -1.26 -4.61 115.64 109.40 1kfh s THR 47 Ca 0.34 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 1kfh s THR 47 Cb 0.21 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1kfh s THR 47 CO 0.43 0.00 0.97 0.00 -0.69 0.00 0.00 174.62 175.33 1kfh s PRO 49 N 1.45 3.77 0.76 0.00 0.02 -1.26 -5.06 135.00 134.68 1kfh s PRO 49 Ca 0.49 1.54 -0.14 0.00 0.02 0.00 0.00 61.00 62.91 1kfh s PRO 49 Cb -0.19 -2.24 0.05 0.00 0.02 0.00 0.00 34.50 32.14 1kfh s PRO 49 CO 0.23 -0.49 1.18 0.45 -0.33 0.00 0.00 177.00 178.04 1kfh s SER 50 N -1.71 4.08 -0.72 2.53 0.15 -1.26 -4.82 113.70 111.95 1kfh s SER 50 Ca 0.66 2.26 -0.28 0.00 0.70 0.00 0.00 55.95 59.29 1kfh s SER 50 Cb -0.22 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.37 1kfh s SER 50 CO 0.26 -2.33 2.54 0.29 1.20 0.00 0.00 173.24 175.20 1kfh n LYS 51 N -2.99 0.56 -2.02 5.44 5.02 -1.26 -4.84 118.16 118.07 1kfh n LYS 51 Ca 0.13 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 1kfh n LYS 51 Cb 0.51 -2.57 -0.03 0.00 -0.02 0.00 0.00 35.03 32.91 1kfh n LYS 51 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1kfh s LYS 52 N 8.60 2.70 -0.84 1.97 2.47 -1.10 -4.74 119.74 128.79 1kfh s LYS 52 Ca 1.15 0.75 -0.24 0.00 -1.56 0.00 0.00 55.97 56.07 1kfh s LYS 52 Cb -0.66 -4.37 -0.20 0.00 -1.46 0.00 0.00 37.83 31.15 1kfh s LYS 52 CO 0.36 -2.64 2.46 -0.35 0.16 0.00 0.00 175.35 175.34 1kfh n PRO 53 N 9.07 0.35 0.00 4.03 -0.04 -1.26 -0.05 135.00 147.09 1kfh n PRO 53 Ca 0.21 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1kfh n PRO 53 Cb 0.52 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 12.02 0.00 -3.93 0.54 4.11 -1.26 -5.13 117.16 123.51 1kfh n TYR 54 Ca 0.56 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 58.11 1kfh n TYR 54 Cb 0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.48 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 3.85 -0.64 -3.48 2.12 0.92 -4.37 118.70 117.11 1kfh s GLU 55 Ca 0.00 -0.40 -0.21 0.00 0.36 0.00 0.00 54.97 54.73 1kfh s GLU 55 Cb 0.00 -3.26 0.09 0.00 0.26 0.00 0.00 34.13 31.22 1kfh s GLU 55 CO 0.00 0.09 0.84 -2.00 -0.54 0.00 0.00 175.26 173.66 1kfh s GLU 56 N 0.86 3.10 -0.51 4.30 2.12 0.63 -2.72 118.70 126.48 1kfh s GLU 56 Ca 0.04 -1.11 -0.19 0.00 0.36 0.00 0.00 54.97 54.07 1kfh s GLU 56 Cb -0.14 -4.27 0.06 0.00 0.26 0.00 0.00 34.13 30.05 1kfh s GLU 56 CO 0.02 -1.68 0.63 0.08 -0.54 0.00 0.00 175.26 173.77 1kfh s VAL 57 N 3.33 4.87 -0.30 3.70 1.01 -1.26 -0.93 120.40 130.83 1kfh s VAL 57 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1kfh s VAL 57 Cb -0.20 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 31.93 1kfh s VAL 57 CO 0.07 -0.84 -0.02 0.42 0.00 0.00 0.00 175.10 174.73 1kfh s THR 58 N 2.62 2.64 0.10 3.92 -4.23 -0.33 -4.68 115.64 115.68 1kfh s THR 58 Ca 0.15 -1.61 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1kfh s THR 58 Cb -0.20 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 1kfh s THR 58 CO 0.11 -0.16 -0.17 0.00 -0.54 0.00 0.00 174.62 173.87 1kfh n SER 61 N 2.38 4.39 -4.53 0.00 3.41 -1.26 0.15 113.62 118.17 1kfh n SER 61 Ca -0.17 -3.32 -0.25 0.00 -0.26 0.00 0.00 58.87 54.87 1kfh n SER 61 Cb 0.58 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.06 2.34 -0.10 6.66 -4.23 -1.26 -4.89 115.64 111.10 1kfh s THR 62 Ca 0.54 -2.25 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 1kfh s THR 62 Cb 0.44 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 1kfh s THR 62 CO 0.12 -0.26 1.57 -1.81 -0.54 0.00 0.00 174.62 173.69 1kfh s ASP 63 N -3.59 6.68 -1.51 3.99 1.01 -1.26 -2.59 116.67 119.41 1kfh s ASP 63 Ca 0.32 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.60 1kfh s ASP 63 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1kfh s ASP 63 CO 0.16 -0.95 0.00 0.29 0.21 0.00 0.00 175.17 174.89 1kfh n LYS 64 N 7.11 -1.02 0.13 8.23 5.02 0.12 -4.91 118.16 132.84 1kfh n LYS 64 Ca 0.17 0.98 0.12 0.00 -2.02 0.00 0.00 58.31 57.56 1kfh n LYS 64 Cb 0.44 -5.11 0.50 0.00 -0.02 0.00 0.00 35.03 30.83 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 -2.22 6.19 -4.72 0.00 6.94 -1.26 -4.91 115.26 115.28 1kfh n ASN 66 Ca 0.02 -3.48 -0.42 0.00 -0.02 0.00 0.00 54.58 50.68 1kfh n ASN 66 Cb 0.20 -1.15 -0.03 0.00 -2.36 0.00 0.00 39.78 36.44 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 -3.07 4.54 -0.13 -0.53 0.04 -1.22 -4.51 135.00 130.12 1kfh s PRO 67 Ca 0.34 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 1kfh s PRO 67 Cb 0.10 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 1kfh s PRO 67 CO 0.04 -0.06 0.74 -1.58 0.04 0.00 0.00 177.00 176.18 1kfh s HIS 68 N 0.75 3.47 0.00 0.56 2.46 -1.26 -5.04 115.29 116.22 1kfh s HIS 68 Ca 0.53 1.19 0.00 0.00 0.47 0.00 0.00 55.06 57.25 1kfh s HIS 68 Cb -0.25 -2.89 0.00 0.00 -0.13 0.00 0.00 32.58 29.31 1kfh s HIS 68 CO 0.29 -0.10 0.37 -2.30 -2.47 0.00 0.00 174.74 170.53 1kfh n PRO 69 N 4.63 0.00 -1.76 2.88 -0.02 -1.26 -3.39 135.00 136.08 1kfh n PRO 69 Ca 0.01 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1kfh n PRO 69 Cb 0.50 -0.87 -0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1kfh n PRO 69 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1kfh n LYS 70 N -0.56 3.13 0.02 -0.52 4.76 -1.26 -4.76 118.16 118.96 1kfh n LYS 70 Ca 0.00 -2.69 -0.01 0.00 -2.87 0.00 0.00 58.31 52.75 1kfh n LYS 70 Cb 0.00 -3.15 0.28 0.00 -1.84 0.00 0.00 35.03 30.32 1kfh n LYS 70 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1kfh h GLN 71 N 5.78 0.47 -0.58 1.97 -0.00 -1.66 -3.35 115.11 117.73 1kfh h GLN 71 Ca 0.60 -0.12 0.11 0.00 -0.00 0.00 0.00 58.65 59.23 1kfh h GLN 71 Cb 0.58 -0.06 -0.11 0.00 -0.00 0.00 0.00 27.48 27.88 1kfh h GLN 71 CO 1.83 0.56 -0.31 0.00 -0.00 0.00 0.00 178.83 180.92 1kfh h ARG 72 N 0.44 -0.14 0.00 0.06 -0.00 -1.90 -0.23 114.38 112.61 1kfh h ARG 72 Ca 0.09 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.58 1kfh h ARG 72 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.43 1kfh h ARG 72 CO 0.02 -0.09 0.00 -0.35 0.00 0.00 0.00 179.97 179.55 1kfh n PRO 73 N -5.44 0.24 0.00 0.04 -0.04 -1.25 -3.38 135.00 125.17 1kfh n PRO 73 Ca 0.05 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1kfh n PRO 73 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87