#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 4.45 0.25 9.51 1.01 -1.25 -0.33 120.40 134.03 1kfh s VAL 2 Ca 0.00 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.84 1kfh s VAL 2 Cb 0.00 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 1kfh s VAL 2 CO 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 175.10 173.41 1kfh s HIS 4 N -3.14 2.35 -0.13 0.00 3.76 -1.26 -0.27 115.29 116.61 1kfh s HIS 4 Ca 0.27 0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 55.74 1kfh s HIS 4 Cb 0.04 -3.76 -0.02 0.00 1.11 0.00 0.00 32.58 29.94 1kfh s HIS 4 CO 0.10 -2.84 -0.08 -0.08 -0.85 0.00 0.00 174.74 170.99 1kfh s THR 5 N 3.98 3.56 -1.48 1.30 -1.32 0.42 -3.51 115.64 118.58 1kfh s THR 5 Ca 0.65 -0.49 0.30 0.00 -1.21 0.00 0.00 61.69 60.95 1kfh s THR 5 Cb -0.27 -2.52 0.53 0.00 -1.51 0.00 0.00 72.50 68.72 1kfh s THR 5 CO 0.23 0.52 2.03 0.35 -2.21 0.00 0.00 174.62 175.54 1kfh n THR 6 N 3.32 0.00 0.29 5.08 -2.24 0.22 -2.17 114.28 118.78 1kfh n THR 6 Ca -0.18 -0.01 0.17 0.00 -2.27 0.00 0.00 64.05 61.76 1kfh n THR 6 Cb 0.53 -0.43 0.82 0.00 -2.10 0.00 0.00 70.33 69.15 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 3.48 1.00 -3.88 6.98 0.00 -1.95 -3.41 119.26 121.48 1kfh h ALA 7 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1kfh h ALA 7 Cb 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.87 1kfh h ALA 7 CO 0.00 0.00 -0.75 0.95 0.00 0.00 0.00 179.25 179.45 1kfh s THR 8 N -3.75 3.25 -0.27 0.00 -4.23 -1.26 -5.10 115.64 104.28 1kfh s THR 8 Ca -0.01 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1kfh s THR 8 Cb 0.10 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.67 1kfh s THR 8 CO 0.39 0.51 -0.08 -0.44 -0.54 0.00 0.00 174.62 174.46 1kfh s SER 9 N -1.00 4.58 0.66 3.99 0.01 -1.26 -2.17 113.70 118.51 1kfh s SER 9 Ca 0.13 -1.35 -0.13 0.00 1.31 0.00 0.00 55.95 55.91 1kfh s SER 9 Cb -0.11 -1.60 -0.00 0.00 0.21 0.00 0.00 66.02 64.52 1kfh s SER 9 CO 0.03 -0.21 1.07 -2.16 0.41 0.00 0.00 173.24 172.37 1kfh s PRO 10 N 1.15 3.00 0.17 12.44 0.04 -1.26 -5.11 135.00 145.43 1kfh s PRO 10 Ca -0.08 1.11 -0.32 0.00 0.04 0.00 0.00 61.00 61.75 1kfh s PRO 10 Cb -0.20 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.18 1kfh s PRO 10 CO -0.04 -1.06 0.98 -0.89 0.04 0.00 0.00 177.00 176.04 1kfh n ILE 11 N -2.68 1.18 -4.09 0.56 5.41 -0.92 -5.01 119.36 113.80 1kfh n ILE 11 Ca 0.08 -0.29 -0.14 0.00 1.00 0.00 0.00 62.75 63.40 1kfh n ILE 11 Cb 0.53 -0.55 -0.12 0.00 -0.71 0.00 0.00 39.64 38.79 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 -0.31 1.04 -0.73 4.38 1.04 -0.92 -4.95 113.70 113.25 1kfh s SER 12 Ca 0.71 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 56.37 1kfh s SER 12 Cb -0.91 0.01 0.09 0.00 0.10 0.00 0.00 66.02 65.31 1kfh s SER 12 CO 0.55 -0.17 1.00 0.00 0.98 0.00 0.00 173.24 175.60 1kfh s ALA 13 N -1.34 3.19 0.00 5.32 0.00 -1.26 -0.44 121.76 127.24 1kfh s ALA 13 Ca -0.08 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.77 1kfh s ALA 13 Cb -0.10 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1kfh s ALA 13 CO 0.01 -2.82 0.06 0.14 0.00 0.00 0.00 175.76 173.15 1kfh s VAL 14 N 3.65 4.59 -0.92 0.00 -7.23 0.63 -4.62 120.40 116.49 1kfh s VAL 14 Ca 0.25 -0.48 -0.24 0.00 -1.81 0.00 0.00 61.98 59.69 1kfh s VAL 14 Cb -0.14 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1kfh s VAL 14 CO 0.04 0.34 1.68 -0.89 -0.31 0.00 0.00 175.10 175.96 1kfh s THR 15 N -1.19 3.66 -0.09 5.32 2.01 -1.26 -0.41 115.64 123.69 1kfh s THR 15 Ca 0.23 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 1kfh s THR 15 Cb -0.12 -4.51 -0.06 0.00 0.01 0.00 0.00 72.50 67.82 1kfh s THR 15 CO 0.14 -1.43 1.86 0.00 -0.69 0.00 0.00 174.62 174.50 1kfh n PRO 17 N 7.69 -0.55 -1.68 0.00 -0.02 -1.26 -1.80 135.00 137.38 1kfh n PRO 17 Ca 0.21 -0.12 -0.46 0.00 -2.02 0.00 0.00 63.50 61.11 1kfh n PRO 17 Cb 0.43 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.72 2.35 -0.24 0.52 -0.02 -1.26 -1.43 135.00 133.20 1kfh n PRO 18 Ca 0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1kfh n PRO 18 Cb 0.55 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.91 0.87 2.66 -1.23 0.00 -1.26 -4.97 105.19 105.16 1kfh n GLY 19 Ca 0.19 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1kfh n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kfh n GLU 20 N -2.24 1.15 -0.14 1.61 1.02 -0.51 -1.13 120.64 120.40 1kfh n GLU 20 Ca 0.00 -2.75 0.06 0.00 -0.02 0.00 0.00 57.16 54.45 1kfh n GLU 20 Cb 0.00 -0.85 0.13 0.00 -0.02 0.00 0.00 31.44 30.70 1kfh n GLU 20 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kfh n ASN 21 N -0.22 2.71 -4.19 1.62 4.13 -1.12 -4.00 115.26 114.19 1kfh n ASN 21 Ca 0.05 -1.87 -0.34 0.00 1.68 0.00 0.00 54.58 54.11 1kfh n ASN 21 Cb 0.82 -0.18 -0.15 0.00 -1.54 0.00 0.00 39.78 38.73 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 -0.99 2.41 -0.05 3.41 1.43 0.52 -4.34 118.68 121.07 1kfh s LEU 22 Ca 0.21 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 1kfh s LEU 22 Cb 0.12 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 1kfh s LEU 22 CO 0.16 -0.00 0.46 0.00 0.23 0.00 0.00 176.35 177.20 1kfh s TYR 24 N -0.20 0.73 -0.31 0.00 -0.85 0.00 -0.56 117.35 116.17 1kfh s TYR 24 Ca 0.25 -0.50 -0.09 0.00 -0.52 0.00 0.00 57.07 56.21 1kfh s TYR 24 Cb -0.16 -0.43 -0.01 0.00 0.38 0.00 0.00 41.96 41.74 1kfh s TYR 24 CO 0.12 -0.07 0.15 -0.98 -1.52 0.00 0.00 175.55 173.25 1kfh s ARG 25 N -1.65 3.34 -0.40 -3.49 1.70 -0.78 -2.17 118.95 115.50 1kfh s ARG 25 Ca -0.09 -0.71 -0.03 0.00 -0.47 0.00 0.00 55.73 54.43 1kfh s ARG 25 Cb -0.10 -3.55 0.11 0.00 -0.57 0.00 0.00 34.95 30.84 1kfh s ARG 25 CO 0.00 -0.41 0.19 0.21 -1.08 0.00 0.00 175.30 174.22 1kfh s LYS 26 N 1.61 2.04 -0.23 3.89 2.20 0.95 -2.26 119.74 127.95 1kfh s LYS 26 Ca 0.05 -1.77 -0.00 0.00 -0.36 0.00 0.00 55.97 53.88 1kfh s LYS 26 Cb -0.17 -3.56 0.03 0.00 -1.51 0.00 0.00 37.83 32.61 1kfh s LYS 26 CO 0.06 -1.04 -0.11 0.00 -0.36 0.00 0.00 175.35 173.90 1kfh s MET 27 N 1.16 2.84 0.05 4.03 0.23 -0.16 0.05 119.30 127.49 1kfh s MET 27 Ca 0.07 -0.96 0.02 0.00 -1.03 0.00 0.00 55.69 53.80 1kfh s MET 27 Cb -0.23 -2.84 -0.03 0.00 -1.53 0.00 0.00 34.83 30.21 1kfh s MET 27 CO -0.04 -0.35 -0.08 1.67 -2.03 0.00 0.00 175.02 174.19 1kfh s TRP 28 N 1.29 0.73 0.23 3.16 -2.14 0.78 -0.17 118.94 122.83 1kfh s TRP 28 Ca 0.01 -0.53 -0.30 0.00 2.66 0.00 0.00 56.10 57.94 1kfh s TRP 28 Cb -0.16 -0.43 -0.09 0.00 -3.10 0.00 0.00 33.47 29.69 1kfh s TRP 28 CO -0.07 -0.08 1.26 0.00 -2.66 0.00 0.00 176.95 175.40 1kfh n ASP 30 N 2.07 0.21 -0.18 0.00 5.68 -0.11 -4.86 116.55 119.36 1kfh n ASP 30 Ca 0.04 0.51 -0.02 0.00 -0.50 0.00 0.00 54.79 54.82 1kfh n ASP 30 Cb 0.43 -1.43 -0.00 0.00 -1.14 0.00 0.00 41.12 38.98 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 -3.50 -0.13 -3.67 2.12 0.00 -1.26 -1.26 120.51 112.81 1kfh n ALA 31 Ca 0.12 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.69 1kfh n ALA 31 Cb 0.51 -0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 1kfh n ALA 31 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1kfh s PHE 32 N -5.36 1.71 -0.84 0.00 2.19 -1.26 -5.04 117.98 109.38 1kfh s PHE 32 Ca -0.06 -2.19 -0.20 0.00 0.33 0.00 0.00 56.93 54.80 1kfh s PHE 32 Cb 0.08 -1.68 -0.13 0.00 -1.31 0.00 0.00 43.02 39.97 1kfh s PHE 32 CO 0.30 -0.80 1.97 0.00 1.83 0.00 0.00 175.22 178.52 1kfh n SER 34 N 7.16 5.19 0.00 0.00 3.41 -1.26 -2.45 113.62 125.67 1kfh n SER 34 Ca 0.50 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1kfh n SER 34 Cb 0.39 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1kfh n SER 34 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1kfh n SER 35 N 5.36 0.00 0.00 4.04 3.41 -1.26 -5.03 113.62 120.14 1kfh n SER 35 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1kfh n SER 35 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.00 0.00 -3.78 4.33 3.00 -1.03 -5.13 116.66 114.06 1kfh n ARG 36 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 1kfh n ARG 36 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 1kfh n ARG 36 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1kfh s GLY 37 N 0.00 1.89 -0.20 -0.13 0.00 -1.26 -5.08 107.32 102.53 1kfh s GLY 37 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1kfh s GLY 37 CO 0.00 0.38 -0.15 0.54 0.00 0.00 0.00 173.10 173.86 1kfh s LYS 38 N 1.13 2.55 -0.16 2.90 -0.14 -1.15 -0.94 119.74 123.93 1kfh s LYS 38 Ca 0.06 -0.94 -0.13 0.00 -1.36 0.00 0.00 55.97 53.60 1kfh s LYS 38 Cb -0.14 -2.58 -0.05 0.00 -1.68 0.00 0.00 37.83 33.38 1kfh s LYS 38 CO 0.04 -0.35 0.26 0.08 -0.76 0.00 0.00 175.35 174.62 1kfh s VAL 39 N 1.28 5.33 -0.15 3.17 1.01 0.12 -1.56 120.40 129.61 1kfh s VAL 39 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1kfh s VAL 39 Cb -0.15 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1kfh s VAL 39 CO -0.10 0.41 -0.20 -0.69 0.00 0.00 0.00 175.10 174.52 1kfh s VAL 40 N 0.35 1.98 0.07 2.92 1.01 -1.26 -0.15 120.40 125.32 1kfh s VAL 40 Ca 0.15 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1kfh s VAL 40 Cb -0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1kfh s VAL 40 CO 0.03 0.53 -0.08 -1.61 0.00 0.00 0.00 175.10 173.97 1kfh s GLU 41 N 0.99 0.68 -0.23 2.72 2.02 0.11 -4.63 118.70 120.35 1kfh s GLU 41 Ca -0.03 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 53.98 1kfh s GLU 41 Cb -0.15 -0.32 0.05 0.00 0.10 0.00 0.00 34.13 33.81 1kfh s GLU 41 CO -0.05 0.04 -0.09 -0.51 0.02 0.00 0.00 175.26 174.67 1kfh s LEU 42 N -2.14 2.75 0.35 1.80 1.43 -1.26 -0.04 118.68 121.58 1kfh s LEU 42 Ca -0.01 -1.15 0.05 0.00 -1.03 0.00 0.00 54.13 51.99 1kfh s LEU 42 Cb -0.04 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1kfh s LEU 42 CO -0.01 -0.19 0.19 -0.83 0.23 0.00 0.00 176.35 175.74 1kfh s GLY 43 N 1.30 2.38 -0.04 -3.19 0.00 -0.92 -0.61 107.32 106.24 1kfh s GLY 43 Ca -0.05 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.03 1kfh s GLY 43 CO -0.07 -1.63 -0.13 0.00 0.00 0.00 0.00 173.10 171.27 1kfh s ALA 45 N 0.28 -0.96 -0.61 0.00 0.00 -0.54 -4.80 121.76 115.13 1kfh s ALA 45 Ca -0.07 0.78 0.19 0.00 0.00 0.00 0.00 51.96 52.86 1kfh s ALA 45 Cb -0.12 -0.27 0.83 0.00 0.00 0.00 0.00 23.12 23.56 1kfh s ALA 45 CO 0.02 -0.24 1.57 0.00 0.00 0.00 0.00 175.76 177.12 1kfh n ALA 46 N 1.99 1.49 -3.59 0.00 0.00 -0.29 -0.35 120.51 119.77 1kfh n ALA 46 Ca -0.17 0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1kfh n ALA 46 Cb 0.57 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 1kfh n ALA 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kfh s THR 47 N -3.25 0.26 0.05 0.00 -4.23 -1.26 -4.67 115.64 102.54 1kfh s THR 47 Ca 0.03 -1.10 -0.15 0.00 -1.18 0.00 0.00 61.69 59.30 1kfh s THR 47 Cb 0.08 -1.21 -0.06 0.00 1.34 0.00 0.00 72.50 72.64 1kfh s THR 47 CO 0.29 -0.75 0.46 0.00 -0.54 0.00 0.00 174.62 174.08 1kfh s PRO 49 N -1.35 4.04 -0.73 0.00 0.04 -1.26 -5.00 135.00 130.75 1kfh s PRO 49 Ca 0.28 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 61.97 1kfh s PRO 49 Cb -0.17 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1kfh s PRO 49 CO 0.16 -0.08 1.93 -1.54 0.04 0.00 0.00 177.00 177.52 1kfh s SER 50 N -2.61 5.15 0.00 6.66 1.04 -1.26 -4.75 113.70 117.93 1kfh s SER 50 Ca 0.58 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1kfh s SER 50 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1kfh s SER 50 CO 0.22 -2.58 0.00 2.29 0.98 0.00 0.00 173.24 174.15 1kfh n LYS 51 N 9.04 0.00 -2.22 4.02 2.85 -1.26 -4.82 118.16 125.77 1kfh n LYS 51 Ca 0.29 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.15 1kfh n LYS 51 Cb 0.50 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.85 1kfh n LYS 51 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1kfh s LYS 52 N 0.00 3.05 -0.60 -1.58 1.02 -0.98 -4.84 119.74 115.81 1kfh s LYS 52 Ca 0.00 0.58 -0.32 0.00 0.02 0.00 0.00 55.97 56.25 1kfh s LYS 52 Cb 0.00 -4.23 -0.14 0.00 -0.52 0.00 0.00 37.83 32.94 1kfh s LYS 52 CO 0.00 -2.23 2.41 -0.35 -0.92 0.00 0.00 175.35 174.25 1kfh n PRO 53 N 8.88 0.66 0.00 -1.68 -0.04 -1.26 0.37 135.00 141.93 1kfh n PRO 53 Ca 0.16 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1kfh n PRO 53 Cb 0.50 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 11.55 0.00 -3.99 0.54 4.11 -1.26 -5.10 117.16 123.00 1kfh n TYR 54 Ca 0.49 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 58.03 1kfh n TYR 54 Cb 0.24 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.45 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 3.63 -0.32 -3.48 -6.30 0.16 -1.73 118.70 110.66 1kfh s GLU 55 Ca 0.00 -0.51 -0.03 0.00 -2.50 0.00 0.00 54.97 51.94 1kfh s GLU 55 Cb 0.00 -3.14 0.05 0.00 0.00 0.00 0.00 34.13 31.05 1kfh s GLU 55 CO 0.00 -0.03 0.04 -1.21 0.02 0.00 0.00 175.26 174.08 1kfh s GLU 56 N 1.12 2.42 -0.09 4.30 2.02 0.76 -2.33 118.70 126.91 1kfh s GLU 56 Ca 0.03 -1.30 -0.01 0.00 0.02 0.00 0.00 54.97 53.71 1kfh s GLU 56 Cb -0.14 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1kfh s GLU 56 CO 0.02 -0.67 -0.05 0.14 0.02 0.00 0.00 175.26 174.71 1kfh s VAL 57 N 1.27 3.81 -0.10 2.63 -7.23 -1.26 -0.99 120.40 118.54 1kfh s VAL 57 Ca -0.03 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1kfh s VAL 57 Cb -0.20 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.17 1kfh s VAL 57 CO -0.01 0.57 -0.05 0.42 -0.31 0.00 0.00 175.10 175.72 1kfh s THR 58 N -0.49 0.83 0.12 5.32 -4.23 -0.96 -4.63 115.64 111.60 1kfh s THR 58 Ca 0.08 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.51 1kfh s THR 58 Cb -0.12 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 1kfh s THR 58 CO 0.02 0.34 -0.23 0.00 -0.54 0.00 0.00 174.62 174.21 1kfh n SER 61 N 1.40 4.27 -4.63 0.00 3.41 -1.26 0.23 113.62 117.05 1kfh n SER 61 Ca -0.19 -3.22 -0.25 0.00 -0.26 0.00 0.00 58.87 54.96 1kfh n SER 61 Cb 0.56 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.96 2.52 0.13 6.66 -4.23 -1.26 -4.98 115.64 111.51 1kfh s THR 62 Ca 0.49 -1.98 -0.31 0.00 -1.18 0.00 0.00 61.69 58.72 1kfh s THR 62 Cb 0.40 -2.81 -0.09 0.00 1.34 0.00 0.00 72.50 71.34 1kfh s THR 62 CO 0.10 -0.17 1.57 1.51 -0.54 0.00 0.00 174.62 177.10 1kfh s ASP 63 N -3.72 6.62 -1.74 3.99 -4.77 -1.26 -2.81 116.67 112.98 1kfh s ASP 63 Ca 0.35 2.53 0.00 0.00 -3.30 0.00 0.00 52.55 52.13 1kfh s ASP 63 Cb 0.01 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1kfh s ASP 63 CO 0.19 -0.83 0.00 0.29 0.70 0.00 0.00 175.17 175.53 1kfh n LYS 64 N 4.53 -1.53 0.24 2.11 5.02 0.18 -4.89 118.16 123.83 1kfh n LYS 64 Ca 0.14 0.97 0.13 0.00 -2.02 0.00 0.00 58.31 57.54 1kfh n LYS 64 Cb 0.40 -5.38 0.51 0.00 -0.02 0.00 0.00 35.03 30.53 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 -3.22 5.77 -4.75 0.00 6.94 -1.26 -4.89 115.26 113.85 1kfh n ASN 66 Ca 0.01 -3.17 -0.40 0.00 -0.02 0.00 0.00 54.58 50.99 1kfh n ASN 66 Cb 0.40 -1.37 -0.05 0.00 -2.36 0.00 0.00 39.78 36.40 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 -1.32 4.71 -0.27 -0.53 0.04 -1.26 -4.60 135.00 131.78 1kfh s PRO 67 Ca 0.33 1.64 -0.37 0.00 0.04 0.00 0.00 61.00 62.64 1kfh s PRO 67 Cb -0.02 -3.26 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 1kfh s PRO 67 CO 0.01 0.29 1.95 1.58 0.04 0.00 0.00 177.00 180.87 1kfh n HIS 68 N 1.71 1.94 -2.50 0.56 -0.00 -1.26 -4.87 115.22 110.80 1kfh n HIS 68 Ca -0.00 0.31 -0.41 0.00 -0.00 0.00 0.00 57.72 57.62 1kfh n HIS 68 Cb 0.46 -2.53 -0.04 0.00 -0.00 0.00 0.00 29.99 27.88 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 4.74 4.54 -1.35 1.57 0.04 -1.26 -4.93 135.00 138.36 1kfh s PRO 69 Ca 1.02 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 63.63 1kfh s PRO 69 Cb -0.91 -3.31 0.09 0.00 0.04 0.00 0.00 34.50 30.41 1kfh s PRO 69 CO 0.56 -0.04 1.91 1.63 0.04 0.00 0.00 177.00 181.10 1kfh n LYS 70 N 2.95 3.15 -4.50 4.56 4.76 -1.26 -4.81 118.16 123.00 1kfh n LYS 70 Ca 0.05 -3.13 -0.21 0.00 -2.87 0.00 0.00 58.31 52.15 1kfh n LYS 70 Cb 0.47 -3.28 -0.15 0.00 -1.84 0.00 0.00 35.03 30.22 1kfh n LYS 70 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1kfh s GLN 71 N 2.94 1.02 0.07 1.97 -0.44 -1.26 -5.13 119.66 118.83 1kfh s GLN 71 Ca 0.48 -0.40 -0.31 0.00 -2.50 0.00 0.00 55.36 52.63 1kfh s GLN 71 Cb 0.08 -0.97 -0.08 0.00 -1.64 0.00 0.00 33.01 30.40 1kfh s GLN 71 CO -0.01 0.21 1.55 1.03 0.50 0.00 0.00 175.29 178.57 1kfh s ARG 72 N -0.10 4.23 0.00 1.67 1.81 -1.26 -4.74 118.95 120.56 1kfh s ARG 72 Ca 0.01 2.21 0.00 0.00 -1.72 0.00 0.00 55.73 56.23 1kfh s ARG 72 Cb -0.06 -3.51 0.00 0.00 -0.45 0.00 0.00 34.95 30.93 1kfh s ARG 72 CO 0.00 -0.65 0.22 -2.30 -0.68 0.00 0.00 175.30 171.89 1kfh n PRO 73 N 5.19 0.18 0.00 3.54 -0.02 -1.26 -4.48 135.00 138.16 1kfh n PRO 73 Ca 0.14 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.65 1kfh n PRO 73 Cb 0.41 -1.41 0.02 0.00 -0.02 0.00 0.00 33.50 32.50 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89