#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 5.37 0.01 9.51 1.01 -1.26 -4.42 120.40 130.62 1kfh s VAL 2 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1kfh s VAL 2 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1kfh s VAL 2 CO 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 175.10 175.29 1kfh s HIS 4 N -0.58 3.12 -0.08 0.00 3.76 -1.26 -0.06 115.29 120.19 1kfh s HIS 4 Ca 0.07 0.95 0.03 0.00 -0.15 0.00 0.00 55.06 55.96 1kfh s HIS 4 Cb -0.08 -3.77 -0.02 0.00 1.11 0.00 0.00 32.58 29.82 1kfh s HIS 4 CO 0.00 -2.63 -0.17 -0.08 -0.85 0.00 0.00 174.74 171.01 1kfh s THR 5 N 0.52 2.77 -1.19 1.30 -1.32 0.34 -2.37 115.64 115.70 1kfh s THR 5 Ca 0.62 -0.80 0.23 0.00 -1.21 0.00 0.00 61.69 60.53 1kfh s THR 5 Cb -0.40 -2.09 0.28 0.00 -1.51 0.00 0.00 72.50 68.78 1kfh s THR 5 CO 0.37 0.56 1.74 0.35 -2.21 0.00 0.00 174.62 175.43 1kfh n THR 6 N 2.88 0.37 0.59 5.08 -2.24 -0.03 -2.77 114.28 118.17 1kfh n THR 6 Ca -0.18 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.79 1kfh n THR 6 Cb 0.52 -0.70 0.42 0.00 -2.10 0.00 0.00 70.33 68.46 1kfh n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfh n ALA 7 N -1.41 1.84 -2.64 6.98 0.00 -1.26 -4.74 120.51 119.28 1kfh n ALA 7 Ca 0.08 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 1kfh n ALA 7 Cb 0.23 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.07 3.83 -0.20 0.00 -4.23 -1.24 -5.09 115.64 105.63 1kfh s THR 8 Ca 0.08 -0.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1kfh s THR 8 Cb 0.12 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1kfh s THR 8 CO 0.37 0.26 -0.04 -0.44 -0.54 0.00 0.00 174.62 174.24 1kfh s SER 9 N -1.84 3.28 0.51 3.99 0.01 -1.26 -2.63 113.70 115.75 1kfh s SER 9 Ca 0.21 -0.91 -0.20 0.00 1.31 0.00 0.00 55.95 56.36 1kfh s SER 9 Cb -0.11 -0.97 -0.07 0.00 0.21 0.00 0.00 66.02 65.08 1kfh s SER 9 CO 0.12 -0.23 1.10 -2.16 0.41 0.00 0.00 173.24 172.49 1kfh s PRO 10 N 1.57 3.59 0.06 12.44 0.04 -1.26 -5.09 135.00 146.36 1kfh s PRO 10 Ca -0.02 1.56 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 1kfh s PRO 10 Cb -0.17 -2.12 -0.13 0.00 0.04 0.00 0.00 34.50 32.12 1kfh s PRO 10 CO -0.07 -0.64 1.72 -0.89 0.04 0.00 0.00 177.00 177.15 1kfh n ILE 11 N -1.00 0.26 -3.70 0.56 5.41 -1.08 -4.90 119.36 114.91 1kfh n ILE 11 Ca 0.10 -0.05 -0.09 0.00 1.00 0.00 0.00 62.75 63.71 1kfh n ILE 11 Cb 0.51 -1.71 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 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 2.30 -0.35 0.08 4.38 1.04 -1.11 -3.16 113.70 116.88 1kfh s SER 12 Ca 0.85 -0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.64 1kfh s SER 12 Cb -0.67 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.03 1kfh s SER 12 CO 0.43 -1.15 0.73 0.00 0.98 0.00 0.00 173.24 174.24 1kfh s ALA 13 N -3.86 3.43 0.05 5.32 0.00 0.20 -0.50 121.76 126.40 1kfh s ALA 13 Ca 0.08 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1kfh s ALA 13 Cb -0.03 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 1kfh s ALA 13 CO -0.02 0.19 -0.09 0.14 0.00 0.00 0.00 175.76 175.98 1kfh s VAL 14 N -0.55 0.63 -0.58 0.00 -7.23 0.91 -4.90 120.40 108.69 1kfh s VAL 14 Ca 0.36 -1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 59.20 1kfh s VAL 14 Cb -0.21 -0.74 0.13 0.00 0.56 0.00 0.00 36.38 36.12 1kfh s VAL 14 CO 0.23 -0.39 0.57 -0.89 -0.31 0.00 0.00 175.10 174.31 1kfh s THR 15 N -1.51 5.17 -0.48 5.32 2.01 -1.26 -0.35 115.64 124.55 1kfh s THR 15 Ca -0.07 -1.50 -0.27 0.00 0.31 0.00 0.00 61.69 60.16 1kfh s THR 15 Cb -0.09 -4.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 1kfh s THR 15 CO 0.00 -0.94 1.88 0.00 -0.69 0.00 0.00 174.62 174.88 1kfh h PRO 17 N 14.47 1.06 -5.76 0.00 0.11 -1.96 -3.39 132.00 136.53 1kfh h PRO 17 Ca -0.29 -0.06 -0.62 0.00 0.11 0.00 0.00 66.00 65.14 1kfh h PRO 17 Cb 1.17 -0.24 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 1kfh h PRO 17 CO 1.13 0.70 -0.31 -1.25 -0.21 0.00 0.00 178.00 178.06 1kfh s PRO 18 N -6.05 3.90 -0.91 1.05 0.04 -1.26 -4.76 135.00 127.01 1kfh s PRO 18 Ca -0.13 0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 1kfh s PRO 18 Cb 0.19 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 1kfh s PRO 18 CO 0.80 0.57 0.80 0.41 0.04 0.00 0.00 177.00 179.63 1kfh n GLY 19 N 2.35 -1.20 2.79 0.56 0.00 -1.26 -4.93 105.19 103.50 1kfh n GLY 19 Ca -0.15 0.53 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.89 0.26 0.00 1.61 2.12 -1.26 -0.93 118.70 116.62 1kfh s GLU 20 Ca 0.24 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.75 1kfh s GLU 20 Cb -0.04 -0.89 0.00 0.00 0.26 0.00 0.00 34.13 33.46 1kfh s GLU 20 CO 0.76 -0.76 0.00 0.09 -0.54 0.00 0.00 175.26 174.81 1kfh n ASN 21 N 5.33 2.86 -4.36 -1.70 4.13 -0.26 -4.77 115.26 116.49 1kfh n ASN 21 Ca -0.04 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.02 1kfh n ASN 21 Cb 0.49 0.50 -0.10 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 -1.97 2.52 0.02 3.41 1.43 0.11 -4.52 118.68 119.68 1kfh s LEU 22 Ca 0.00 -0.96 0.07 0.00 -1.03 0.00 0.00 54.13 52.21 1kfh s LEU 22 Cb 0.00 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 1kfh s LEU 22 CO 0.00 -0.09 -0.21 0.00 0.23 0.00 0.00 176.35 176.27 1kfh s TYR 24 N -0.82 0.66 -0.33 0.00 -0.85 -0.41 -0.16 117.35 115.43 1kfh s TYR 24 Ca 0.13 -0.63 -0.13 0.00 -0.52 0.00 0.00 57.07 55.92 1kfh s TYR 24 Cb -0.10 -0.40 -0.02 0.00 0.38 0.00 0.00 41.96 41.82 1kfh s TYR 24 CO 0.03 -0.13 0.23 0.50 -1.52 0.00 0.00 175.55 174.66 1kfh s ARG 25 N -2.20 3.52 -0.60 -3.49 3.52 -0.55 -2.57 118.95 116.57 1kfh s ARG 25 Ca -0.05 -0.63 -0.06 0.00 -0.13 0.00 0.00 55.73 54.86 1kfh s ARG 25 Cb -0.06 -3.78 0.15 0.00 -1.56 0.00 0.00 34.95 29.70 1kfh s ARG 25 CO -0.02 -0.43 0.44 0.21 -0.81 0.00 0.00 175.30 174.70 1kfh s LYS 26 N 1.72 2.65 -0.16 5.12 2.20 0.17 -0.34 119.74 131.09 1kfh s LYS 26 Ca 0.06 -2.24 -0.01 0.00 -0.36 0.00 0.00 55.97 53.42 1kfh s LYS 26 Cb -0.17 -3.88 -0.01 0.00 -1.51 0.00 0.00 37.83 32.26 1kfh s LYS 26 CO 0.10 -1.19 -0.11 0.00 -0.36 0.00 0.00 175.35 173.80 1kfh s MET 27 N 0.48 3.34 -0.01 4.03 0.23 -0.18 -0.19 119.30 126.99 1kfh s MET 27 Ca 0.13 -0.68 -0.16 0.00 -1.03 0.00 0.00 55.69 53.96 1kfh s MET 27 Cb -0.20 -2.74 0.03 0.00 -1.53 0.00 0.00 34.83 30.38 1kfh s MET 27 CO -0.04 0.04 0.33 1.67 -2.03 0.00 0.00 175.02 174.99 1kfh s TRP 28 N 0.80 -0.20 0.46 3.16 -2.14 -0.50 -0.16 118.94 120.36 1kfh s TRP 28 Ca -0.04 0.28 -0.21 0.00 2.66 0.00 0.00 56.10 58.79 1kfh s TRP 28 Cb -0.15 0.11 -0.09 0.00 -3.10 0.00 0.00 33.47 30.24 1kfh s TRP 28 CO 0.01 -0.41 1.02 0.00 -2.66 0.00 0.00 176.95 174.90 1kfh n ASP 30 N -0.75 1.38 -0.16 0.00 5.68 -1.26 -4.88 116.55 116.56 1kfh n ASP 30 Ca 0.08 -0.30 0.28 0.00 -0.50 0.00 0.00 54.79 54.35 1kfh n ASP 30 Cb 0.52 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.10 1kfh n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kfh h ALA 31 N 0.53 2.77 -0.38 2.12 0.00 -1.98 -1.43 119.26 120.88 1kfh h ALA 31 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kfh h ALA 31 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1kfh h ALA 31 CO 0.00 -1.43 0.00 1.97 0.00 0.00 0.00 179.25 179.79 1kfh n PHE 32 N -3.51 0.53 -1.54 0.00 1.16 -1.26 -5.00 117.46 107.85 1kfh n PHE 32 Ca 0.20 -0.26 -0.42 0.00 -1.87 0.00 0.00 57.45 55.10 1kfh n PHE 32 Cb 1.25 -0.01 0.01 0.00 -1.61 0.00 0.00 39.48 39.12 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1kfh n SER 34 N 0.82 0.00 -0.19 0.00 3.41 -1.26 -4.47 113.62 111.93 1kfh n SER 34 Ca 0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.64 1kfh n SER 34 Cb 0.39 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1kfh n SER 34 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1kfh h SER 35 N 0.00 0.73 -0.08 4.04 4.64 -1.95 -3.31 113.55 117.61 1kfh h SER 35 Ca 0.00 -0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 60.99 1kfh h SER 35 Cb 0.00 -0.19 -0.35 0.00 -0.31 0.00 0.00 62.40 61.55 1kfh h SER 35 CO 0.00 0.68 -0.94 -2.11 -0.87 0.00 0.00 176.83 173.58 1kfh n ARG 36 N -4.54 0.38 0.00 4.77 1.85 0.18 -5.16 116.66 114.13 1kfh n ARG 36 Ca 0.03 -2.15 0.00 0.00 -1.00 0.00 0.00 57.85 54.73 1kfh n ARG 36 Cb 0.14 -0.24 0.00 0.00 -1.05 0.00 0.00 32.46 31.31 1kfh n ARG 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kfh n GLY 37 N 0.16 0.73 3.52 2.89 0.00 -0.85 -4.80 105.19 106.84 1kfh n GLY 37 Ca 0.02 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 1kfh n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfh s LYS 38 N 0.00 1.90 -0.98 1.61 1.02 -1.26 -3.56 119.74 118.47 1kfh s LYS 38 Ca 0.00 -1.14 -0.20 0.00 0.02 0.00 0.00 55.97 54.65 1kfh s LYS 38 Cb 0.00 -2.17 0.10 0.00 -0.52 0.00 0.00 37.83 35.24 1kfh s LYS 38 CO 0.00 0.48 1.27 0.08 -0.92 0.00 0.00 175.35 176.26 1kfh s VAL 39 N -1.20 4.40 -0.44 3.17 1.01 0.14 -4.90 120.40 122.58 1kfh s VAL 39 Ca 0.19 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 1kfh s VAL 39 Cb -0.11 -4.90 0.02 0.00 0.00 0.00 0.00 36.38 31.40 1kfh s VAL 39 CO 0.12 -1.69 0.87 0.68 0.00 0.00 0.00 175.10 175.07 1kfh s VAL 40 N 3.60 4.57 0.05 2.92 -7.23 -1.26 -1.41 120.40 121.65 1kfh s VAL 40 Ca 0.38 0.71 0.09 0.00 -1.81 0.00 0.00 61.98 61.36 1kfh s VAL 40 Cb -0.03 -4.36 -0.03 0.00 0.56 0.00 0.00 36.38 32.52 1kfh s VAL 40 CO -0.09 -0.72 -0.26 -1.61 -0.31 0.00 0.00 175.10 172.10 1kfh s GLU 41 N 3.51 1.74 -0.08 4.82 2.02 0.73 -4.98 118.70 126.45 1kfh s GLU 41 Ca 0.34 -1.13 0.03 0.00 0.02 0.00 0.00 54.97 54.24 1kfh s GLU 41 Cb -0.11 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1kfh s GLU 41 CO 0.23 0.50 -0.19 -0.51 0.02 0.00 0.00 175.26 175.31 1kfh s LEU 42 N -1.32 1.90 0.00 1.80 1.43 -1.26 0.43 118.68 121.66 1kfh s LEU 42 Ca 0.12 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1kfh s LEU 42 Cb -0.10 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1kfh s LEU 42 CO 0.02 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1kfh n GLY 43 N 3.62 2.87 3.57 -3.19 0.00 -1.00 -0.85 105.19 110.21 1kfh n GLY 43 Ca -0.21 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.17 -1.83 -0.64 0.00 0.00 -0.50 -4.96 121.76 112.65 1kfh s ALA 45 Ca 0.20 1.46 0.26 0.00 0.00 0.00 0.00 51.96 53.88 1kfh s ALA 45 Cb -0.11 -0.33 0.84 0.00 0.00 0.00 0.00 23.12 23.52 1kfh s ALA 45 CO 0.12 -0.34 1.76 0.00 0.00 0.00 0.00 175.76 177.30 1kfh h ALA 46 N 2.98 1.00 -3.24 0.00 0.00 -1.29 0.36 119.26 119.07 1kfh h ALA 46 Ca -0.24 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 1kfh h ALA 46 Cb 1.15 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.63 1kfh h ALA 46 CO 0.34 0.00 -0.59 0.95 0.00 0.00 0.00 179.25 179.95 1kfh s THR 47 N -3.17 -0.05 -0.25 0.00 -4.23 -1.26 -4.53 115.64 102.15 1kfh s THR 47 Ca 0.09 0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.63 1kfh s THR 47 Cb 0.11 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.66 1kfh s THR 47 CO 0.55 0.07 0.30 0.00 -0.54 0.00 0.00 174.62 175.00 1kfh s PRO 49 N 1.66 1.70 1.01 0.00 0.02 -1.26 -5.09 135.00 133.04 1kfh s PRO 49 Ca 0.13 -0.27 -0.11 0.00 0.02 0.00 0.00 61.00 60.77 1kfh s PRO 49 Cb -0.15 -2.04 0.18 0.00 0.02 0.00 0.00 34.50 32.51 1kfh s PRO 49 CO 0.09 -1.65 1.00 0.45 -0.33 0.00 0.00 177.00 176.56 1kfh n SER 50 N -3.23 -0.63 -4.28 2.53 2.88 -1.26 -4.87 113.62 104.75 1kfh n SER 50 Ca 0.10 0.20 -0.31 0.00 -1.33 0.00 0.00 58.87 57.54 1kfh n SER 50 Cb 0.60 -1.37 -0.07 0.00 -0.75 0.00 0.00 64.21 62.62 1kfh n SER 50 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1kfh n LYS 51 N -4.20 1.23 -3.67 -1.46 5.02 -1.26 -4.78 118.16 109.04 1kfh n LYS 51 Ca 0.08 -2.11 -0.37 0.00 -2.02 0.00 0.00 58.31 53.90 1kfh n LYS 51 Cb 0.53 -3.49 -0.11 0.00 -0.02 0.00 0.00 35.03 31.94 1kfh n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1kfh s LYS 52 N 6.49 3.93 0.03 1.97 0.00 -0.87 -1.72 119.74 129.57 1kfh s LYS 52 Ca 0.68 -0.34 -0.07 0.00 0.00 0.00 0.00 55.97 56.24 1kfh s LYS 52 Cb 0.03 -3.53 -0.30 0.00 0.00 0.00 0.00 37.83 34.04 1kfh s LYS 52 CO 0.16 -0.08 0.97 -1.00 0.00 0.00 0.00 175.35 175.40 1kfh h PRO 53 N 7.99 0.33 -3.00 1.78 0.13 -2.03 -3.24 132.00 133.96 1kfh h PRO 53 Ca -0.37 -0.56 -0.61 0.00 -0.87 0.00 0.00 66.00 63.59 1kfh h PRO 53 Cb 1.18 0.21 -0.40 0.00 0.13 0.00 0.00 31.00 32.12 1kfh h PRO 53 CO 0.59 1.24 -0.73 -0.47 -0.23 0.00 0.00 178.00 178.40 1kfh s TYR 54 N -2.62 2.17 -0.24 1.56 5.04 -1.16 -5.06 117.35 117.04 1kfh s TYR 54 Ca -0.08 -2.56 -0.03 0.00 -2.44 0.00 0.00 57.07 51.96 1kfh s TYR 54 Cb 0.06 -1.99 0.08 0.00 0.35 0.00 0.00 41.96 40.45 1kfh s TYR 54 CO 0.88 -0.76 0.07 -1.21 -1.34 0.00 0.00 175.55 173.19 1kfh s GLU 55 N 0.15 0.57 -1.01 4.97 2.02 -0.70 -4.71 118.70 119.97 1kfh s GLU 55 Ca 0.19 -0.59 -0.23 0.00 0.02 0.00 0.00 54.97 54.36 1kfh s GLU 55 Cb -0.22 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.10 1kfh s GLU 55 CO -0.02 -0.79 1.68 -2.00 0.02 0.00 0.00 175.26 174.15 1kfh s GLU 56 N 1.85 3.19 -0.98 1.61 2.12 0.78 -2.04 118.70 125.22 1kfh s GLU 56 Ca 0.03 -0.91 -0.18 0.00 0.36 0.00 0.00 54.97 54.27 1kfh s GLU 56 Cb -0.17 -5.26 0.14 0.00 0.26 0.00 0.00 34.13 29.09 1kfh s GLU 56 CO -0.17 -2.74 1.19 0.54 -0.54 0.00 0.00 175.26 173.54 1kfh s VAL 57 N 7.10 4.77 -0.64 3.70 0.11 -1.24 -1.01 120.40 133.18 1kfh s VAL 57 Ca 0.57 -1.76 -0.19 0.00 -2.93 0.00 0.00 61.98 57.67 1kfh s VAL 57 Cb -0.02 -4.81 0.11 0.00 -1.53 0.00 0.00 36.38 30.13 1kfh s VAL 57 CO -0.04 -1.54 0.77 0.42 -3.33 0.00 0.00 175.10 171.39 1kfh s THR 58 N 2.53 4.80 0.04 5.04 -4.23 0.53 -4.84 115.64 119.52 1kfh s THR 58 Ca 0.35 -1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1kfh s THR 58 Cb -0.04 -4.54 -0.04 0.00 1.34 0.00 0.00 72.50 69.22 1kfh s THR 58 CO -0.08 -1.19 0.18 0.00 -0.54 0.00 0.00 174.62 172.99 1kfh n SER 61 N 2.62 4.60 -4.44 0.00 3.41 -1.26 0.08 113.62 118.63 1kfh n SER 61 Ca -0.15 -2.95 -0.23 0.00 -0.26 0.00 0.00 58.87 55.28 1kfh n SER 61 Cb 0.58 -0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.57 2.33 0.01 6.66 -4.23 -1.26 -4.83 115.64 111.75 1kfh s THR 62 Ca 0.46 -2.31 -0.30 0.00 -1.18 0.00 0.00 61.69 58.36 1kfh s THR 62 Cb 0.37 -2.22 -0.08 0.00 1.34 0.00 0.00 72.50 71.90 1kfh s THR 62 CO 0.12 -0.39 1.99 -1.81 -0.54 0.00 0.00 174.62 173.99 1kfh s ASP 63 N -3.34 6.35 -1.73 3.99 1.01 -1.26 -2.51 116.67 119.17 1kfh s ASP 63 Ca 0.27 2.59 0.00 0.00 0.71 0.00 0.00 52.55 56.12 1kfh s ASP 63 Cb -0.05 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1kfh s ASP 63 CO 0.13 -1.15 0.00 0.29 0.21 0.00 0.00 175.17 174.65 1kfh n LYS 64 N 7.67 -1.31 0.08 8.23 5.02 0.97 -4.90 118.16 133.91 1kfh n LYS 64 Ca 0.21 1.01 0.10 0.00 -2.02 0.00 0.00 58.31 57.61 1kfh n LYS 64 Cb 0.41 -5.37 0.42 0.00 -0.02 0.00 0.00 35.03 30.48 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 -1.94 6.02 -4.72 0.00 6.94 -1.26 -4.91 115.26 115.39 1kfh n ASN 66 Ca 0.03 -3.37 -0.42 0.00 -0.02 0.00 0.00 54.58 50.80 1kfh n ASN 66 Cb 0.22 -1.22 -0.04 0.00 -2.36 0.00 0.00 39.78 36.38 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 -2.57 4.58 0.26 -0.53 0.04 -1.25 -4.60 135.00 130.92 1kfh s PRO 67 Ca 0.32 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1kfh s PRO 67 Cb 0.04 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 1kfh s PRO 67 CO 0.07 0.03 1.21 -1.58 0.04 0.00 0.00 177.00 176.77 1kfh s HIS 68 N 0.73 3.35 -1.04 0.56 2.46 -1.26 -4.96 115.29 115.14 1kfh s HIS 68 Ca 0.49 1.49 -0.24 0.00 0.47 0.00 0.00 55.06 57.28 1kfh s HIS 68 Cb -0.21 -3.47 -0.06 0.00 -0.13 0.00 0.00 32.58 28.70 1kfh s HIS 68 CO 0.27 -1.24 1.93 -1.25 -2.47 0.00 0.00 174.74 171.98 1kfh s PRO 69 N -1.08 2.56 0.26 2.88 0.04 -1.26 -4.58 135.00 133.81 1kfh s PRO 69 Ca 0.49 -0.72 -0.21 0.00 0.04 0.00 0.00 61.00 60.60 1kfh s PRO 69 Cb -0.35 -5.15 0.03 0.00 0.04 0.00 0.00 34.50 29.07 1kfh s PRO 69 CO 0.43 -3.63 0.71 -1.59 0.04 0.00 0.00 177.00 172.97 1kfh s LYS 70 N 6.71 1.69 -0.42 4.56 -2.85 -1.26 -5.11 119.74 123.06 1kfh s LYS 70 Ca 0.69 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 54.48 1kfh s LYS 70 Cb -0.04 0.60 -0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1kfh s LYS 70 CO 0.06 -0.77 1.81 -1.14 0.10 0.00 0.00 175.35 175.41 1kfh s GLN 71 N -3.87 3.10 -0.26 1.78 -0.44 -1.26 -4.25 119.66 114.47 1kfh s GLN 71 Ca 0.10 1.17 -0.05 0.00 -2.50 0.00 0.00 55.36 54.07 1kfh s GLN 71 Cb -0.05 -4.25 0.02 0.00 -1.64 0.00 0.00 33.01 27.08 1kfh s GLN 71 CO 0.04 -2.14 0.10 -2.13 0.50 0.00 0.00 175.29 171.66 1kfh n ARG 72 N 8.64 -3.96 -2.87 1.67 0.63 -1.26 -4.95 116.66 114.57 1kfh n ARG 72 Ca 0.22 3.07 -0.43 0.00 -0.92 0.00 0.00 57.85 59.79 1kfh n ARG 72 Cb 0.49 -5.27 -0.03 0.00 0.45 0.00 0.00 32.46 28.10 1kfh n ARG 72 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1kfh s PRO 73 N -1.25 3.54 0.00 -0.14 0.04 -1.26 -4.76 135.00 131.17 1kfh s PRO 73 Ca -0.12 -1.56 0.00 0.00 0.04 0.00 0.00 61.00 59.36 1kfh s PRO 73 Cb 0.01 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 29.65 1kfh s PRO 73 CO 0.79 -1.84 0.50 0.41 0.04 0.00 0.00 177.00 176.90