#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 5.10 0.23 9.51 1.01 -1.25 -0.86 120.40 134.14 1kfh s VAL 2 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 61.98 60.31 1kfh s VAL 2 Cb 0.00 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1kfh s VAL 2 CO 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 175.10 173.97 1kfh s HIS 4 N -3.61 2.38 -0.11 0.00 3.76 -1.26 -0.42 115.29 116.03 1kfh s HIS 4 Ca 0.32 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 1kfh s HIS 4 Cb 0.07 -3.89 -0.02 0.00 1.11 0.00 0.00 32.58 29.85 1kfh s HIS 4 CO 0.10 -3.59 -0.12 -0.08 -0.85 0.00 0.00 174.74 170.21 1kfh s THR 5 N 2.97 3.22 0.03 1.30 -1.32 0.09 -2.81 115.64 119.11 1kfh s THR 5 Ca 0.72 -0.62 0.21 0.00 -1.21 0.00 0.00 61.69 60.79 1kfh s THR 5 Cb -0.36 -2.34 0.19 0.00 -1.51 0.00 0.00 72.50 68.47 1kfh s THR 5 CO 0.30 0.54 1.70 0.71 -2.21 0.00 0.00 174.62 175.67 1kfh h THR 6 N 5.05 0.63 -0.36 5.08 1.35 -1.27 -3.13 112.91 120.26 1kfh h THR 6 Ca -0.33 -1.44 0.09 0.00 -0.55 0.00 0.00 66.41 64.19 1kfh h THR 6 Cb 1.19 1.97 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 1kfh h THR 6 CO 0.55 0.29 0.25 0.00 -0.25 0.00 0.00 175.52 176.37 1kfh h ALA 7 N 1.70 2.27 -2.33 6.62 0.00 -1.96 -3.07 119.26 122.49 1kfh h ALA 7 Ca -0.00 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.17 1kfh h ALA 7 Cb 0.94 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.53 1kfh h ALA 7 CO 0.04 -0.37 -0.29 0.95 0.00 0.00 0.00 179.25 179.58 1kfh s THR 8 N -5.08 5.18 -0.31 0.00 -4.23 -1.25 -5.05 115.64 104.90 1kfh s THR 8 Ca -0.05 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1kfh s THR 8 Cb 0.19 -4.09 0.06 0.00 1.34 0.00 0.00 72.50 70.00 1kfh s THR 8 CO 0.71 -0.52 0.02 -0.44 -0.54 0.00 0.00 174.62 173.85 1kfh s SER 9 N 2.29 4.91 0.54 3.99 0.01 -1.16 -2.52 113.70 121.75 1kfh s SER 9 Ca 0.07 -1.40 -0.21 0.00 1.31 0.00 0.00 55.95 55.72 1kfh s SER 9 Cb -0.21 -1.72 -0.05 0.00 0.21 0.00 0.00 66.02 64.25 1kfh s SER 9 CO 0.09 -0.29 1.23 -2.16 0.41 0.00 0.00 173.24 172.51 1kfh s PRO 10 N 1.22 3.28 0.36 12.44 0.04 -1.26 -5.14 135.00 145.95 1kfh s PRO 10 Ca -0.03 1.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 1kfh s PRO 10 Cb -0.20 -2.17 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 1kfh s PRO 10 CO -0.02 -0.98 1.44 -0.89 0.04 0.00 0.00 177.00 176.59 1kfh n ILE 11 N -1.08 1.91 -4.05 0.56 2.08 -1.05 -5.03 119.36 112.70 1kfh n ILE 11 Ca 0.11 -0.48 -0.09 0.00 0.56 0.00 0.00 62.75 62.85 1kfh n ILE 11 Cb 0.48 -1.85 -0.11 0.00 -0.75 0.00 0.00 39.64 37.41 1kfh n ILE 11 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1kfh s SER 12 N -0.13 0.50 -0.52 4.38 1.04 -1.18 -4.97 113.70 112.82 1kfh s SER 12 Ca 0.55 -0.76 -0.21 0.00 0.48 0.00 0.00 55.95 56.01 1kfh s SER 12 Cb -0.51 0.13 0.06 0.00 0.10 0.00 0.00 66.02 65.80 1kfh s SER 12 CO 0.62 -0.43 0.72 0.00 0.98 0.00 0.00 173.24 175.13 1kfh s ALA 13 N -2.67 3.32 0.07 5.32 0.00 -1.26 -0.73 121.76 125.80 1kfh s ALA 13 Ca -0.03 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.36 1kfh s ALA 13 Cb -0.01 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1kfh s ALA 13 CO -0.05 -2.14 -0.10 0.14 0.00 0.00 0.00 175.76 173.61 1kfh s VAL 14 N 3.02 3.39 -0.82 0.00 -7.23 0.44 -4.68 120.40 114.51 1kfh s VAL 14 Ca 0.19 -1.11 -0.25 0.00 -1.81 0.00 0.00 61.98 59.00 1kfh s VAL 14 Cb -0.17 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 1kfh s VAL 14 CO 0.14 0.22 1.80 -0.89 -0.31 0.00 0.00 175.10 176.06 1kfh s THR 15 N -1.12 3.51 0.28 5.32 2.01 -1.26 -0.66 115.64 123.72 1kfh s THR 15 Ca 0.19 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1kfh s THR 15 Cb -0.11 -4.20 -0.12 0.00 0.01 0.00 0.00 72.50 68.08 1kfh s THR 15 CO 0.11 -1.14 1.54 0.00 -0.69 0.00 0.00 174.62 174.44 1kfh n PRO 17 N 2.13 1.41 -1.57 0.00 -0.02 -1.26 -4.55 135.00 131.15 1kfh n PRO 17 Ca 0.10 0.50 -0.57 0.00 -2.02 0.00 0.00 63.50 61.51 1kfh n PRO 17 Cb 0.35 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.50 0.51 0.00 0.52 -0.02 -1.26 -4.26 135.00 130.99 1kfh n PRO 18 Ca 0.09 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1kfh n PRO 18 Cb 0.35 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.23 0.72 3.11 -1.23 0.00 -1.26 -5.07 105.19 103.69 1kfh n GLY 19 Ca 0.21 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1kfh n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kfh s GLU 20 N -0.93 0.53 0.00 1.61 4.04 -1.26 -0.98 118.70 121.71 1kfh s GLU 20 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 54.97 55.84 1kfh s GLU 20 Cb 0.00 0.33 0.00 0.00 0.02 0.00 0.00 34.13 34.48 1kfh s GLU 20 CO 0.00 -0.72 0.00 0.09 -1.84 0.00 0.00 175.26 172.79 1kfh n ASN 21 N 5.42 3.08 -4.23 0.83 4.13 -0.24 -4.55 115.26 119.70 1kfh n ASN 21 Ca -0.00 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.00 1kfh n ASN 21 Cb 0.51 0.41 -0.15 0.00 -1.54 0.00 0.00 39.78 39.02 1kfh n ASN 21 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1kfh s LEU 22 N -2.53 2.12 -0.10 3.41 0.05 0.64 -4.35 118.68 117.93 1kfh s LEU 22 Ca 0.00 -0.46 -0.01 0.00 0.05 0.00 0.00 54.13 53.71 1kfh s LEU 22 Cb 0.00 -0.96 -0.03 0.00 -2.05 0.00 0.00 46.19 43.15 1kfh s LEU 22 CO 0.00 0.18 -0.03 0.00 -0.55 0.00 0.00 176.35 175.95 1kfh s TYR 24 N -0.57 0.87 -0.30 0.00 -0.85 0.71 -0.42 117.35 116.79 1kfh s TYR 24 Ca 0.09 -0.46 -0.06 0.00 -0.52 0.00 0.00 57.07 56.12 1kfh s TYR 24 Cb -0.12 -0.51 0.02 0.00 0.38 0.00 0.00 41.96 41.74 1kfh s TYR 24 CO 0.02 -0.03 0.06 -0.98 -1.52 0.00 0.00 175.55 173.10 1kfh s ARG 25 N -1.56 2.85 -0.80 -3.49 1.70 -0.93 -1.69 118.95 115.04 1kfh s ARG 25 Ca -0.06 -1.01 -0.16 0.00 -0.47 0.00 0.00 55.73 54.02 1kfh s ARG 25 Cb -0.10 -3.33 0.17 0.00 -0.57 0.00 0.00 34.95 31.13 1kfh s ARG 25 CO 0.01 -0.52 0.84 0.21 -1.08 0.00 0.00 175.30 174.76 1kfh s LYS 26 N 1.42 3.48 -0.06 3.89 2.20 0.54 -1.13 119.74 130.09 1kfh s LYS 26 Ca 0.00 -2.05 0.06 0.00 -0.36 0.00 0.00 55.97 53.62 1kfh s LYS 26 Cb -0.18 -4.53 -0.01 0.00 -1.51 0.00 0.00 37.83 31.60 1kfh s LYS 26 CO 0.01 -1.46 -0.23 0.00 -0.36 0.00 0.00 175.35 173.30 1kfh s MET 27 N 1.33 2.43 0.11 4.03 0.23 -0.28 0.27 119.30 127.41 1kfh s MET 27 Ca 0.20 -0.85 -0.18 0.00 -1.03 0.00 0.00 55.69 53.83 1kfh s MET 27 Cb -0.12 -2.05 0.04 0.00 -1.53 0.00 0.00 34.83 31.17 1kfh s MET 27 CO -0.06 0.34 0.45 1.67 -2.03 0.00 0.00 175.02 175.39 1kfh s TRP 28 N -0.10 -0.29 0.18 3.16 -2.14 0.12 -0.43 118.94 119.44 1kfh s TRP 28 Ca -0.04 0.08 -0.25 0.00 2.66 0.00 0.00 56.10 58.54 1kfh s TRP 28 Cb -0.14 0.31 -0.08 0.00 -3.10 0.00 0.00 33.47 30.46 1kfh s TRP 28 CO 0.04 -0.70 0.78 0.00 -2.66 0.00 0.00 176.95 174.41 1kfh n ASP 30 N 1.46 0.00 -2.11 0.00 5.68 -0.53 -4.85 116.55 116.19 1kfh n ASP 30 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1kfh n ASP 30 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 -1.55 0.00 -0.87 2.12 0.00 -1.20 -4.91 120.51 114.09 1kfh n ALA 31 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 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 1.54 0.00 0.00 3.72 -1.05 -4.74 117.46 116.93 1kfh n PHE 32 Ca 0.00 -1.93 0.00 0.00 -0.05 0.00 0.00 57.45 55.47 1kfh n PHE 32 Cb 0.00 -1.69 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kfh h SER 34 N 0.00 0.19 0.00 0.00 4.64 -1.89 -1.97 113.55 114.52 1kfh h SER 34 Ca 0.00 0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 61.01 1kfh h SER 34 Cb 0.00 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1kfh h SER 34 CO 0.00 0.07 -2.12 -1.54 -0.87 0.00 0.00 176.83 172.37 1kfh n SER 35 N -4.39 1.63 -3.50 4.97 3.41 -0.10 -4.95 113.62 110.69 1kfh n SER 35 Ca 0.19 0.18 -0.27 0.00 -0.26 0.00 0.00 58.87 58.72 1kfh n SER 35 Cb 0.86 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 1kfh n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1kfh n ARG 36 N -3.74 1.12 0.00 4.33 1.85 -0.07 -5.05 116.66 115.09 1kfh n ARG 36 Ca -0.39 -3.79 0.00 0.00 -1.00 0.00 0.00 57.85 52.67 1kfh n ARG 36 Cb 0.80 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 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 2.00 -1.61 3.03 2.89 0.00 -0.77 -2.16 105.19 108.57 1kfh n GLY 37 Ca 0.25 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -5.22 0.18 -0.09 1.61 2.36 -1.26 -1.45 119.74 115.87 1kfh s LYS 38 Ca 0.00 0.23 0.02 0.00 -2.55 0.00 0.00 55.97 53.68 1kfh s LYS 38 Cb 0.00 0.07 -0.02 0.00 -1.05 0.00 0.00 37.83 36.83 1kfh s LYS 38 CO 0.00 -0.03 -0.15 0.08 1.55 0.00 0.00 175.35 176.79 1kfh s VAL 39 N 0.17 2.91 -0.03 4.02 1.01 0.80 -4.90 120.40 124.38 1kfh s VAL 39 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1kfh s VAL 39 Cb -0.02 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1kfh s VAL 39 CO -0.00 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.82 1kfh s VAL 40 N -0.15 1.18 -0.21 2.92 1.01 -1.26 -0.70 120.40 123.18 1kfh s VAL 40 Ca -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1kfh s VAL 40 Cb -0.14 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.27 1kfh s VAL 40 CO 0.03 0.34 -0.12 -1.61 0.00 0.00 0.00 175.10 173.75 1kfh s GLU 41 N -0.01 2.24 -0.38 2.72 2.02 0.14 -4.98 118.70 120.45 1kfh s GLU 41 Ca -0.01 -0.97 -0.13 0.00 0.02 0.00 0.00 54.97 53.88 1kfh s GLU 41 Cb -0.09 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.59 1kfh s GLU 41 CO 0.01 -0.43 0.24 -0.51 0.02 0.00 0.00 175.26 174.59 1kfh s LEU 42 N 1.30 4.84 0.31 1.80 2.01 -1.26 -0.34 118.68 127.34 1kfh s LEU 42 Ca -0.02 -0.92 -0.02 0.00 0.01 0.00 0.00 54.13 53.18 1kfh s LEU 42 Cb -0.17 -2.08 -0.01 0.00 0.01 0.00 0.00 46.19 43.95 1kfh s LEU 42 CO -0.08 -0.40 0.41 -0.83 1.01 0.00 0.00 176.35 176.46 1kfh s GLY 43 N 1.61 1.46 0.18 -3.19 0.00 -0.68 -0.78 107.32 105.93 1kfh s GLY 43 Ca 0.03 -1.52 0.10 0.00 0.00 0.00 0.00 44.72 43.33 1kfh s GLY 43 CO 0.08 -1.06 -0.19 0.00 0.00 0.00 0.00 173.10 171.93 1kfh s ALA 45 N -1.64 -1.81 -0.51 0.00 0.00 -0.00 -4.97 121.76 112.83 1kfh s ALA 45 Ca 0.22 1.10 0.25 0.00 0.00 0.00 0.00 51.96 53.53 1kfh s ALA 45 Cb -0.08 0.20 0.95 0.00 0.00 0.00 0.00 23.12 24.19 1kfh s ALA 45 CO 0.11 -0.59 1.75 0.00 0.00 0.00 0.00 175.76 177.04 1kfh h ALA 46 N 2.22 1.00 -3.17 0.00 0.00 -1.30 0.23 119.26 118.24 1kfh h ALA 46 Ca -0.23 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.10 1kfh h ALA 46 Cb 1.22 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.65 1kfh h ALA 46 CO 0.33 0.00 -0.83 0.95 0.00 0.00 0.00 179.25 179.70 1kfh s THR 47 N -3.28 1.41 -0.12 0.00 -4.23 -1.26 -4.59 115.64 103.57 1kfh s THR 47 Ca 0.06 -0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.81 1kfh s THR 47 Cb 0.10 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.57 1kfh s THR 47 CO 0.47 0.43 0.62 0.00 -0.54 0.00 0.00 174.62 175.60 1kfh s PRO 49 N 1.08 4.17 1.21 0.00 0.02 -1.26 -5.08 135.00 135.14 1kfh s PRO 49 Ca 0.32 1.33 -0.16 0.00 0.02 0.00 0.00 61.00 62.50 1kfh s PRO 49 Cb -0.16 -2.37 0.26 0.00 0.02 0.00 0.00 34.50 32.24 1kfh s PRO 49 CO 0.14 -0.10 0.68 0.43 -0.33 0.00 0.00 177.00 177.82 1kfh n SER 50 N -0.35 -2.42 -4.58 2.53 7.64 -1.26 -4.79 113.62 110.39 1kfh n SER 50 Ca 0.06 -0.30 -0.25 0.00 1.01 0.00 0.00 58.87 59.39 1kfh n SER 50 Cb 0.52 -1.11 -0.07 0.00 -1.01 0.00 0.00 64.21 62.54 1kfh n SER 50 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1kfh s LYS 51 N -4.17 2.16 -0.34 1.43 1.02 -1.26 -4.49 119.74 114.08 1kfh s LYS 51 Ca 0.64 -0.97 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 1kfh s LYS 51 Cb -0.19 -5.17 0.00 0.00 -0.52 0.00 0.00 37.83 31.95 1kfh s LYS 51 CO 0.63 -4.37 0.20 0.15 -0.92 0.00 0.00 175.35 171.04 1kfh s LYS 52 N 6.98 3.20 -0.91 1.68 -0.14 -0.52 -0.62 119.74 129.42 1kfh s LYS 52 Ca 0.72 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1kfh s LYS 52 Cb -0.02 -3.71 0.30 0.00 -1.68 0.00 0.00 37.83 32.72 1kfh s LYS 52 CO 0.14 -0.53 1.32 -0.35 -0.76 0.00 0.00 175.35 175.17 1kfh n PRO 53 N 5.03 4.09 0.00 -1.68 -0.04 -1.26 -3.24 135.00 137.90 1kfh n PRO 53 Ca -0.13 -4.65 0.00 0.00 -0.04 0.00 0.00 63.50 58.69 1kfh n PRO 53 Cb 0.48 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 0.73 0.00 -2.81 0.54 4.11 0.21 -5.12 117.16 114.82 1kfh n TYR 54 Ca 0.32 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.79 1kfh n TYR 54 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.64 1kfh n TYR 54 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1kfh s GLU 55 N 0.00 3.43 -0.84 -3.48 2.02 -1.20 -4.78 118.70 113.84 1kfh s GLU 55 Ca 0.00 -0.05 -0.23 0.00 0.02 0.00 0.00 54.97 54.70 1kfh s GLU 55 Cb 0.00 -4.00 0.06 0.00 0.10 0.00 0.00 34.13 30.29 1kfh s GLU 55 CO 0.00 -1.39 1.24 -1.21 0.02 0.00 0.00 175.26 173.92 1kfh s GLU 56 N 3.93 3.37 -0.32 1.61 0.41 0.43 -1.44 118.70 126.68 1kfh s GLU 56 Ca 0.34 -0.89 -0.25 0.00 -0.41 0.00 0.00 54.97 53.75 1kfh s GLU 56 Cb -0.11 -4.68 0.01 0.00 -1.78 0.00 0.00 34.13 27.56 1kfh s GLU 56 CO 0.23 -2.04 0.89 0.08 -0.49 0.00 0.00 175.26 173.93 1kfh s VAL 57 N 4.64 4.68 -0.38 2.63 1.01 -1.25 -1.12 120.40 130.61 1kfh s VAL 57 Ca 0.35 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 1kfh s VAL 57 Cb -0.07 -4.26 0.10 0.00 0.00 0.00 0.00 36.38 32.16 1kfh s VAL 57 CO 0.02 -0.37 0.14 0.42 0.00 0.00 0.00 175.10 175.31 1kfh s THR 58 N 3.24 2.94 -0.01 3.92 -4.23 -0.28 -4.64 115.64 116.58 1kfh s THR 58 Ca 0.37 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.75 1kfh s THR 58 Cb -0.13 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1kfh s THR 58 CO 0.14 -0.62 0.18 0.00 -0.54 0.00 0.00 174.62 173.78 1kfh n SER 61 N 2.23 4.46 -4.38 0.00 3.41 -1.26 0.05 113.62 118.12 1kfh n SER 61 Ca -0.16 -3.05 -0.20 0.00 -0.26 0.00 0.00 58.87 55.21 1kfh n SER 61 Cb 0.57 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.64 1.60 0.25 6.66 -4.23 -1.26 -4.87 115.64 111.14 1kfh s THR 62 Ca 0.48 -2.14 -0.31 0.00 -1.18 0.00 0.00 61.69 58.54 1kfh s THR 62 Cb 0.38 -2.27 -0.11 0.00 1.34 0.00 0.00 72.50 71.84 1kfh s THR 62 CO 0.12 -0.42 1.58 -1.81 -0.54 0.00 0.00 174.62 173.54 1kfh s ASP 63 N -3.37 6.47 -0.84 3.99 1.01 -1.26 -2.90 116.67 119.77 1kfh s ASP 63 Ca 0.26 2.82 0.00 0.00 0.71 0.00 0.00 52.55 56.35 1kfh s ASP 63 Cb 0.02 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1kfh s ASP 63 CO 0.09 -0.86 0.00 0.29 0.21 0.00 0.00 175.17 174.90 1kfh n LYS 64 N 2.79 -1.76 0.26 8.23 5.02 0.13 -4.88 118.16 127.95 1kfh n LYS 64 Ca 0.10 0.74 0.17 0.00 -2.02 0.00 0.00 58.31 57.29 1kfh n LYS 64 Cb 0.38 -5.08 0.67 0.00 -0.02 0.00 0.00 35.03 30.98 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 -2.97 6.14 -4.75 0.00 6.94 -1.26 -4.89 115.26 114.48 1kfh n ASN 66 Ca 0.01 -3.35 -0.41 0.00 -0.02 0.00 0.00 54.58 50.81 1kfh n ASN 66 Cb 0.29 -1.32 -0.03 0.00 -2.36 0.00 0.00 39.78 36.36 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 -2.05 4.46 -0.25 -0.53 0.04 -1.25 -4.60 135.00 130.81 1kfh s PRO 67 Ca 0.33 1.97 -0.34 0.00 0.04 0.00 0.00 61.00 63.01 1kfh s PRO 67 Cb 0.07 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.31 1kfh s PRO 67 CO 0.08 -0.11 2.09 1.58 0.04 0.00 0.00 177.00 180.68 1kfh n HIS 68 N 2.08 1.88 -1.83 0.56 -0.00 -1.26 -4.89 115.22 111.78 1kfh n HIS 68 Ca 0.03 0.14 -0.41 0.00 -0.00 0.00 0.00 57.72 57.48 1kfh n HIS 68 Cb 0.44 -2.60 -0.02 0.00 -0.00 0.00 0.00 29.99 27.81 1kfh n HIS 68 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kfh n PRO 69 N 7.75 2.54 0.27 1.57 -0.04 -1.26 -4.77 135.00 141.05 1kfh n PRO 69 Ca 0.33 -2.58 0.18 0.00 -0.04 0.00 0.00 63.50 61.39 1kfh n PRO 69 Cb 0.28 -3.30 0.82 0.00 -0.04 0.00 0.00 33.50 31.26 1kfh n PRO 69 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1kfh h LYS 70 N 7.07 0.00 -1.73 0.54 2.10 -1.94 -2.68 116.57 119.93 1kfh h LYS 70 Ca 0.48 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.11 1kfh h LYS 70 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1kfh h LYS 70 CO 1.75 0.00 0.03 0.00 -2.00 0.00 0.00 179.45 179.23 1kfh n GLN 71 N -2.90 1.06 -2.10 0.07 0.00 -1.26 -4.94 117.38 107.31 1kfh n GLN 71 Ca -0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 57.00 56.47 1kfh n GLN 71 Cb 0.20 -1.05 -0.02 0.00 0.00 0.00 0.00 30.24 29.37 1kfh n GLN 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1kfh s ARG 72 N -0.14 4.26 -0.12 2.61 1.04 -1.01 -0.63 118.95 124.95 1kfh s ARG 72 Ca 0.02 2.20 0.07 0.00 -1.04 0.00 0.00 55.73 56.98 1kfh s ARG 72 Cb 0.02 -2.99 0.43 0.00 -2.04 0.00 0.00 34.95 30.37 1kfh s ARG 72 CO 0.00 -0.26 1.16 -0.35 -0.04 0.00 0.00 175.30 175.80 1kfh n PRO 73 N 0.62 3.04 0.00 3.89 -0.04 -1.26 -4.93 135.00 136.32 1kfh n PRO 73 Ca 0.01 -1.65 0.04 0.00 -0.04 0.00 0.00 63.50 61.86 1kfh n PRO 73 Cb 0.42 -1.90 0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87