#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckh s ASP 15 N 0.00 6.10 0.66 6.41 2.15 -1.26 -4.88 116.67 125.85 2ckh s ASP 15 Ca 0.00 0.13 -0.13 0.00 0.43 0.00 0.00 52.55 52.98 2ckh s ASP 15 Cb 0.00 -1.79 -0.00 0.00 -0.30 0.00 0.00 42.92 40.82 2ckh s ASP 15 CO 0.00 0.12 1.07 -1.00 -0.17 0.00 0.00 175.17 175.19 2ckh s HIS 16 N -1.60 2.92 0.06 -5.34 3.76 -1.26 -3.98 115.29 109.85 2ckh s HIS 16 Ca 0.33 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 2ckh s HIS 16 Cb -0.12 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 2ckh s HIS 16 CO 0.27 -1.32 -0.05 0.96 -0.85 0.00 0.00 174.74 173.74 2ckh s ILE 17 N -2.69 0.39 -0.02 0.60 -5.25 0.16 -4.92 121.20 109.48 2ckh s ILE 17 Ca 0.62 -1.63 -0.14 0.00 -0.99 0.00 0.00 60.65 58.51 2ckh s ILE 17 Cb -0.16 -1.28 -0.05 0.00 2.95 0.00 0.00 42.46 43.92 2ckh s ILE 17 CO 0.46 -0.81 0.39 0.20 -1.79 0.00 0.00 174.94 173.38 2ckh s ASN 18 N -2.59 6.77 -0.04 4.36 0.01 -1.26 -1.55 114.94 120.64 2ckh s ASN 18 Ca 0.03 0.91 -0.00 0.00 -0.71 0.00 0.00 52.86 53.09 2ckh s ASN 18 Cb 0.02 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.47 2ckh s ASN 18 CO -0.06 0.32 0.01 -0.76 -1.51 0.00 0.00 177.10 175.10 2ckh s LEU 19 N -0.99 0.85 -0.04 0.60 1.43 0.19 0.88 118.68 121.61 2ckh s LEU 19 Ca 0.23 -0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 53.09 2ckh s LEU 19 Cb -0.16 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.72 2ckh s LEU 19 CO 0.12 -0.15 0.59 -0.54 0.23 0.00 0.00 176.35 176.61 2ckh s LYS 20 N 1.46 4.34 -0.29 1.70 1.02 -0.54 -0.97 119.74 126.46 2ckh s LYS 20 Ca -0.03 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2ckh s LYS 20 Cb -0.13 -3.38 0.06 0.00 -0.52 0.00 0.00 37.83 33.86 2ckh s LYS 20 CO -0.03 0.27 -0.03 0.08 -0.92 0.00 0.00 175.35 174.72 2ckh s VAL 21 N 0.17 2.66 -0.28 3.17 1.01 -0.51 0.37 120.40 126.99 2ckh s VAL 21 Ca 0.31 -1.56 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 2ckh s VAL 21 Cb -0.17 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2ckh s VAL 21 CO 0.16 -0.13 0.15 0.00 0.00 0.00 0.00 175.10 175.28 2ckh s ALA 22 N 1.17 3.38 0.57 5.51 0.00 -0.18 -0.54 121.76 131.67 2ckh s ALA 22 Ca -0.05 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.60 2ckh s ALA 22 Cb -0.20 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 2ckh s ALA 22 CO -0.03 -0.60 1.02 0.20 0.00 0.00 0.00 175.76 176.36 2ckh s GLY 23 N 1.69 2.03 0.00 0.00 0.00 -0.38 -2.38 107.32 108.28 2ckh s GLY 23 Ca 0.06 0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.11 2ckh s GLY 23 CO 0.08 0.54 1.12 0.61 0.00 0.00 0.00 173.10 175.45 2ckh n GLN 24 N -1.98 0.74 -0.24 2.90 10.64 -1.22 -0.78 117.38 127.44 2ckh n GLN 24 Ca 0.07 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.34 2ckh n GLN 24 Cb 0.53 -1.18 0.26 0.00 -0.86 0.00 0.00 30.24 28.99 2ckh n GLN 24 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2ckh n ASP 25 N -0.68 2.89 -1.77 2.61 3.85 -1.26 -4.94 116.55 117.25 2ckh n ASP 25 Ca 0.07 -1.97 -0.09 0.00 -0.71 0.00 0.00 54.79 52.09 2ckh n ASP 25 Cb 0.03 -0.32 0.03 0.00 -1.35 0.00 0.00 41.12 39.51 2ckh n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ckh n GLY 26 N 1.37 0.33 3.04 6.12 0.00 0.04 -5.03 105.19 111.07 2ckh n GLY 26 Ca 0.18 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2ckh n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckh s SER 27 N -3.17 4.60 -0.04 1.61 1.04 -1.18 -4.91 113.70 111.65 2ckh s SER 27 Ca 0.22 -1.77 -0.30 0.00 0.48 0.00 0.00 55.95 54.58 2ckh s SER 27 Cb -0.10 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 2ckh s SER 27 CO 0.29 -0.28 0.98 -0.69 0.98 0.00 0.00 173.24 174.52 2ckh s VAL 28 N 1.01 4.85 -0.24 5.02 1.01 -1.26 -1.25 120.40 129.53 2ckh s VAL 28 Ca 0.01 2.03 0.02 0.00 0.00 0.00 0.00 61.98 64.04 2ckh s VAL 28 Cb -0.20 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 31.93 2ckh s VAL 28 CO -0.07 0.11 -0.11 -0.69 0.00 0.00 0.00 175.10 174.34 2ckh s VAL 29 N 1.35 1.97 0.53 2.92 1.01 0.30 -4.91 120.40 123.58 2ckh s VAL 29 Ca 0.50 -1.38 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 2ckh s VAL 29 Cb -0.20 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 2ckh s VAL 29 CO 0.24 0.06 1.05 -1.10 0.00 0.00 0.00 175.10 175.36 2ckh s GLN 30 N 1.22 3.57 -0.12 2.72 -1.52 -1.26 -1.43 119.66 122.84 2ckh s GLN 30 Ca -0.05 1.32 -0.13 0.00 -1.95 0.00 0.00 55.36 54.55 2ckh s GLN 30 Cb -0.18 -2.06 0.03 0.00 -0.22 0.00 0.00 33.01 30.58 2ckh s GLN 30 CO -0.07 -0.62 0.37 -0.06 -0.25 0.00 0.00 175.29 174.66 2ckh s PHE 31 N -2.14 -0.38 -0.13 0.91 0.40 -0.14 -4.95 117.98 111.55 2ckh s PHE 31 Ca 0.66 0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 57.87 2ckh s PHE 31 Cb -0.17 0.14 -0.03 0.00 0.51 0.00 0.00 43.02 43.47 2ckh s PHE 31 CO 0.27 -0.22 -0.02 0.15 0.70 0.00 0.00 175.22 176.10 2ckh s LYS 32 N 0.01 3.42 -0.03 0.44 1.02 -1.26 0.58 119.74 123.92 2ckh s LYS 32 Ca -0.02 -0.48 -0.22 0.00 0.02 0.00 0.00 55.97 55.28 2ckh s LYS 32 Cb -0.03 -2.87 0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2ckh s LYS 32 CO 0.01 0.41 0.47 -1.50 -0.92 0.00 0.00 175.35 173.82 2ckh s ILE 33 N -0.09 0.03 0.39 2.17 1.10 -0.59 -4.99 121.20 119.22 2ckh s ILE 33 Ca 0.03 -0.27 -0.26 0.00 -0.51 0.00 0.00 60.65 59.64 2ckh s ILE 33 Cb -0.13 -0.79 -0.09 0.00 0.15 0.00 0.00 42.46 41.60 2ckh s ILE 33 CO 0.02 -0.15 1.20 -0.75 -2.11 0.00 0.00 174.94 173.15 2ckh s LYS 34 N -1.33 4.10 0.00 3.50 2.20 -1.26 0.40 119.74 127.35 2ckh s LYS 34 Ca -0.12 1.91 0.16 0.00 -0.36 0.00 0.00 55.97 57.56 2ckh s LYS 34 Cb -0.03 -2.75 0.70 0.00 -1.51 0.00 0.00 37.83 34.24 2ckh s LYS 34 CO 0.06 -0.30 1.52 2.89 -0.36 0.00 0.00 175.35 179.16 2ckh n ARG 35 N 0.21 0.01 -0.31 4.03 1.85 -1.26 -2.77 116.66 118.42 2ckh n ARG 35 Ca 0.04 0.22 0.08 0.00 -1.00 0.00 0.00 57.85 57.19 2ckh n ARG 35 Cb 0.46 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.61 2ckh n ARG 35 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ckh n HIS 36 N -1.49 0.80 -3.38 2.89 8.25 -1.26 -1.18 115.22 119.84 2ckh n HIS 36 Ca 0.04 -0.53 -0.38 0.00 -0.26 0.00 0.00 57.72 56.58 2ckh n HIS 36 Cb 0.19 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 2ckh n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2ckh s THR 37 N -1.20 4.94 0.51 1.59 2.01 -1.11 -4.93 115.64 117.44 2ckh s THR 37 Ca 0.37 1.01 -0.23 0.00 0.31 0.00 0.00 61.69 63.15 2ckh s THR 37 Cb 0.21 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2ckh s THR 37 CO 0.23 0.53 1.29 -0.81 -0.69 0.00 0.00 174.62 175.17 2ckh n PRO 38 N 2.07 1.71 0.00 4.92 -0.04 -1.26 -4.04 135.00 138.35 2ckh n PRO 38 Ca -0.11 0.62 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 2ckh n PRO 38 Cb 0.52 -2.47 0.72 0.00 -0.04 0.00 0.00 33.50 32.23 2ckh n PRO 38 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ckh n LEU 39 N -0.55 0.00 -0.20 1.53 4.32 -0.60 -3.52 117.00 117.98 2ckh n LEU 39 Ca 0.09 0.28 0.01 0.00 -0.02 0.00 0.00 56.01 56.37 2ckh n LEU 39 Cb 0.43 -0.28 0.11 0.00 -1.62 0.00 0.00 43.42 42.06 2ckh n LEU 39 CO 0.55 -0.01 0.90 0.28 -1.22 0.00 0.00 177.39 177.88 2ckh h SER 40 N 0.00 -0.06 -0.59 -1.43 0.02 -1.85 0.22 113.55 109.86 2ckh h SER 40 Ca 0.00 0.12 0.12 0.00 -0.84 0.00 0.00 61.79 61.19 2ckh h SER 40 Cb 0.27 0.18 -0.11 0.00 0.14 0.00 0.00 62.40 62.88 2ckh h SER 40 CO 0.00 -0.02 -0.07 0.50 -1.14 0.00 0.00 176.83 176.10 2ckh h LYS 41 N 0.22 0.05 0.06 3.45 3.64 -1.93 -2.42 116.57 119.64 2ckh h LYS 41 Ca 0.31 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2ckh h LYS 41 Cb 0.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2ckh h LYS 41 CO -0.43 0.04 -0.03 1.25 -2.27 0.00 0.00 179.45 178.01 2ckh h LEU 42 N 0.06 -0.06 -0.42 5.20 6.46 -1.52 -3.04 115.31 121.98 2ckh h LEU 42 Ca 0.30 -0.56 0.08 0.00 -0.12 0.00 0.00 57.88 57.58 2ckh h LEU 42 Cb 0.47 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.32 2ckh h LEU 42 CO -0.56 0.57 -0.33 0.24 -0.62 0.00 0.00 178.44 177.75 2ckh h MET 43 N -0.76 -0.23 -0.02 1.25 2.86 -0.45 0.19 114.93 117.76 2ckh h MET 43 Ca -0.01 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2ckh h MET 43 Cb 0.62 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2ckh h MET 43 CO 0.01 -0.15 -0.30 0.87 1.06 0.00 0.00 176.91 178.40 2ckh h LYS 44 N -0.24 0.04 -0.19 1.72 1.57 -1.58 -2.32 116.57 115.58 2ckh h LYS 44 Ca 0.18 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 2ckh h LYS 44 Cb 0.54 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2ckh h LYS 44 CO -0.55 0.34 -0.50 0.00 -0.57 0.00 0.00 179.45 178.16 2ckh h ALA 45 N 1.66 0.78 0.00 3.86 0.00 -1.00 -0.38 119.26 124.18 2ckh h ALA 45 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2ckh h ALA 45 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2ckh h ALA 45 CO 0.04 0.67 -0.25 -0.92 0.00 0.00 0.00 179.25 178.80 2ckh h TYR 46 N 0.40 0.00 0.00 0.00 3.20 -0.17 -0.71 116.97 119.69 2ckh h TYR 46 Ca 0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2ckh h TYR 46 Cb 1.02 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 2ckh h TYR 46 CO 0.04 0.25 -0.16 0.00 -1.64 0.00 0.00 178.16 176.65 2ckh h GLU 48 N -1.00 -0.09 -6.97 0.00 4.81 -1.03 -0.53 114.58 109.77 2ckh h GLU 48 Ca -0.03 0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.69 2ckh h GLU 48 Cb 0.61 0.02 0.07 0.00 0.63 0.00 0.00 28.75 30.08 2ckh h GLU 48 CO -0.02 -0.06 0.53 0.50 -0.73 0.00 0.00 179.01 179.22 2ckh s ARG 49 N -3.34 3.87 -0.97 1.92 3.00 -0.28 -3.38 118.95 119.77 2ckh s ARG 49 Ca -0.02 1.91 -0.08 0.00 -1.00 0.00 0.00 55.73 56.54 2ckh s ARG 49 Cb 0.01 -2.57 -0.03 0.00 0.00 0.00 0.00 34.95 32.36 2ckh s ARG 49 CO 0.08 -0.49 0.80 0.94 0.00 0.00 0.00 175.30 176.62 2ckh n GLN 50 N -0.18 -1.64 -0.89 5.12 0.00 -1.26 -4.40 117.38 114.12 2ckh n GLN 50 Ca 0.06 0.92 -0.35 0.00 -0.00 0.00 0.00 57.00 57.63 2ckh n GLN 50 Cb 0.46 -5.06 -0.05 0.00 0.00 0.00 0.00 30.24 25.59 2ckh n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ckh n GLY 51 N -1.54 0.05 3.65 1.69 0.00 -1.11 -4.54 105.19 103.39 2ckh n GLY 51 Ca -0.08 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 2ckh n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ckh s LEU 52 N 1.28 -0.33 0.00 0.99 0.20 -0.22 -5.00 118.68 115.60 2ckh s LEU 52 Ca 0.54 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 55.09 2ckh s LEU 52 Cb -0.76 2.36 0.00 0.00 -0.43 0.00 0.00 46.19 47.36 2ckh s LEU 52 CO 0.41 -0.96 0.18 -0.24 -0.29 0.00 0.00 176.35 175.44 2ckh n SER 53 N -0.40 0.00 0.00 3.68 2.88 -1.26 -4.54 113.62 113.98 2ckh n SER 53 Ca -0.09 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2ckh n SER 53 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2ckh n SER 53 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2ckh n MET 54 N -0.28 0.00 -0.90 -1.46 1.56 -1.26 -4.87 117.12 109.90 2ckh n MET 54 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.24 2ckh n MET 54 Cb 0.00 0.00 0.10 0.00 2.15 0.00 0.00 33.22 35.47 2ckh n MET 54 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2ckh n ARG 55 N 0.00 1.94 0.00 2.12 1.74 -1.26 -3.67 116.66 117.52 2ckh n ARG 55 Ca 0.00 -2.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 2ckh n ARG 55 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 2ckh n ARG 55 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ckh n GLN 56 N -0.45 0.00 -4.41 5.56 6.02 -1.26 -5.07 117.38 117.77 2ckh n GLN 56 Ca 0.41 -0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 57.14 2ckh n GLN 56 Cb 1.07 -0.33 -0.10 0.00 1.02 0.00 0.00 30.24 31.90 2ckh n GLN 56 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2ckh s ILE 57 N 0.00 0.99 -0.10 5.09 -4.36 -1.24 -0.83 121.20 120.74 2ckh s ILE 57 Ca 0.00 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.32 2ckh s ILE 57 Cb 0.00 -2.74 0.04 0.00 1.25 0.00 0.00 42.46 41.01 2ckh s ILE 57 CO 0.00 -0.00 0.26 -0.13 0.24 0.00 0.00 174.94 175.30 2ckh s ARG 58 N -3.94 0.25 -0.09 0.37 0.52 -0.78 -4.87 118.95 110.42 2ckh s ARG 58 Ca 0.37 0.47 -0.06 0.00 -0.52 0.00 0.00 55.73 55.99 2ckh s ARG 58 Cb 0.08 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 2ckh s ARG 58 CO 0.15 -0.11 0.14 -0.06 0.02 0.00 0.00 175.30 175.44 2ckh s PHE 59 N 0.82 3.57 -0.06 -0.53 0.40 -1.26 -1.63 117.98 119.28 2ckh s PHE 59 Ca -0.06 0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 56.72 2ckh s PHE 59 Cb -0.07 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.59 2ckh s PHE 59 CO -0.05 0.71 0.14 1.03 0.70 0.00 0.00 175.22 177.75 2ckh s ARG 60 N -1.23 0.10 -0.39 0.44 0.52 0.35 -2.31 118.95 116.42 2ckh s ARG 60 Ca 0.18 0.32 -0.13 0.00 -0.52 0.00 0.00 55.73 55.58 2ckh s ARG 60 Cb -0.12 -0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.26 2ckh s ARG 60 CO 0.07 -0.13 0.25 0.12 0.02 0.00 0.00 175.30 175.63 2ckh s PHE 61 N 0.90 3.24 -1.44 -0.53 2.19 -0.50 -1.00 117.98 120.83 2ckh s PHE 61 Ca -0.07 -0.81 -0.04 0.00 0.33 0.00 0.00 56.93 56.34 2ckh s PHE 61 Cb -0.09 -2.51 0.03 0.00 -1.31 0.00 0.00 43.02 39.14 2ckh s PHE 61 CO -0.04 -0.63 0.56 -0.25 1.83 0.00 0.00 175.22 176.69 2ckh n ASP 62 N 5.07 -1.24 0.00 6.13 10.43 -1.26 -1.30 116.55 134.37 2ckh n ASP 62 Ca -0.11 -0.96 0.00 0.00 2.57 0.00 0.00 54.79 56.29 2ckh n ASP 62 Cb 0.46 -3.24 0.00 0.00 1.84 0.00 0.00 41.12 40.19 2ckh n ASP 62 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ckh n GLY 63 N -1.82 2.59 3.67 0.44 0.00 -1.26 -4.97 105.19 103.84 2ckh n GLY 63 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2ckh n GLY 63 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ckh s GLN 64 N 0.00 4.15 -0.05 1.61 2.00 -0.42 -4.92 119.66 122.03 2ckh s GLN 64 Ca 0.00 2.50 -0.30 0.00 -2.00 0.00 0.00 55.36 55.57 2ckh s GLN 64 Cb 0.00 -3.99 -0.06 0.00 0.80 0.00 0.00 33.01 29.76 2ckh s GLN 64 CO 0.00 -0.90 1.78 -2.14 -0.50 0.00 0.00 175.29 173.53 2ckh s PRO 65 N 3.95 4.07 -0.03 1.67 0.02 -1.26 -1.42 135.00 142.00 2ckh s PRO 65 Ca 0.83 2.26 -0.27 0.00 0.02 0.00 0.00 61.00 63.84 2ckh s PRO 65 Cb -0.41 -4.07 -0.03 0.00 0.02 0.00 0.00 34.50 30.01 2ckh s PRO 65 CO 0.38 -1.00 0.84 0.42 -0.33 0.00 0.00 177.00 177.30 2ckh s ILE 66 N 4.54 4.96 0.25 2.83 1.01 -0.98 -4.95 121.20 128.86 2ckh s ILE 66 Ca 0.80 1.74 0.08 0.00 0.00 0.00 0.00 60.65 63.27 2ckh s ILE 66 Cb -0.35 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2ckh s ILE 66 CO 0.34 0.21 0.14 0.20 0.00 0.00 0.00 174.94 175.83 2ckh s ASN 67 N 0.90 5.28 0.16 3.58 0.01 -1.26 -4.70 114.94 118.91 2ckh s ASN 67 Ca 0.45 -0.34 -0.16 0.00 -0.71 0.00 0.00 52.86 52.09 2ckh s ASN 67 Cb -0.19 -1.27 0.06 0.00 0.41 0.00 0.00 41.25 40.26 2ckh s ASN 67 CO 0.23 -0.02 1.76 -0.33 -1.51 0.00 0.00 177.10 177.23 2ckh h GLU 68 N 1.64 0.32 -0.94 -0.60 5.08 -1.97 -1.63 114.58 116.47 2ckh h GLU 68 Ca -0.47 -0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.15 2ckh h GLU 68 Cb 1.24 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 2ckh h GLU 68 CO 0.61 0.21 0.37 1.15 -1.00 0.00 0.00 179.01 180.35 2ckh h THR 69 N 0.33 0.27 -3.43 1.13 2.02 -1.98 -3.06 112.91 108.19 2ckh h THR 69 Ca 0.16 -0.08 -0.57 0.00 0.77 0.00 0.00 66.41 66.70 2ckh h THR 69 Cb 0.11 0.02 0.18 0.00 -1.74 0.00 0.00 68.15 66.72 2ckh h THR 69 CO -0.14 0.04 -0.12 0.47 0.37 0.00 0.00 175.52 176.14 2ckh n ASP 70 N -5.18 -0.19 -4.03 4.18 10.43 -0.62 -4.66 116.55 116.48 2ckh n ASP 70 Ca 0.26 0.69 -0.16 0.00 2.57 0.00 0.00 54.79 58.16 2ckh n ASP 70 Cb 0.84 -1.31 -0.13 0.00 1.84 0.00 0.00 41.12 42.36 2ckh n ASP 70 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2ckh s THR 71 N -1.75 0.59 0.10 -3.53 -4.23 -1.26 -1.56 115.64 104.00 2ckh s THR 71 Ca 0.71 -0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 60.34 2ckh s THR 71 Cb -0.38 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 2ckh s THR 71 CO 0.52 -0.09 1.02 -2.65 -0.54 0.00 0.00 174.62 172.89 2ckh n PRO 72 N 2.20 -0.28 -0.30 3.99 -0.01 -1.24 0.34 135.00 139.70 2ckh n PRO 72 Ca -0.18 1.01 0.05 0.00 -0.01 0.00 0.00 63.50 64.37 2ckh n PRO 72 Cb 0.56 -1.48 0.20 0.00 -0.01 0.00 0.00 33.50 32.77 2ckh n PRO 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ckh h ALA 73 N 0.26 1.25 0.00 3.55 0.00 -1.44 0.15 119.26 123.02 2ckh h ALA 73 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ckh h ALA 73 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ckh h ALA 73 CO -0.59 0.01 0.00 0.37 0.00 0.00 0.00 179.25 179.04 2ckh h GLN 74 N 0.72 0.00 -0.55 0.00 4.15 -0.39 -2.01 115.11 117.03 2ckh h GLN 74 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.86 2ckh h GLN 74 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2ckh h GLN 74 CO -0.31 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 177.87 2ckh n LEU 75 N -3.08 3.76 -3.44 -2.39 7.99 0.39 -4.89 117.00 115.34 2ckh n LEU 75 Ca -0.00 -2.16 -0.25 0.00 -0.01 0.00 0.00 56.01 53.59 2ckh n LEU 75 Cb 0.23 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 2ckh n LEU 75 CO 0.25 0.84 -0.01 -0.62 -1.51 0.00 0.00 177.39 176.34 2ckh n GLU 76 N 1.01 -3.85 -1.66 3.23 1.02 -0.50 -4.95 120.64 114.93 2ckh n GLU 76 Ca 0.20 0.54 -0.31 0.00 -0.02 0.00 0.00 57.16 57.57 2ckh n GLU 76 Cb 0.63 -5.30 0.04 0.00 -0.02 0.00 0.00 31.44 26.79 2ckh n GLU 76 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2ckh s MET 77 N -6.10 3.00 0.37 3.49 -1.94 -0.47 -5.02 119.30 112.64 2ckh s MET 77 Ca 0.44 1.01 0.06 0.00 -1.71 0.00 0.00 55.69 55.49 2ckh s MET 77 Cb -0.23 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 2ckh s MET 77 CO 0.54 -1.05 0.23 -1.21 -0.01 0.00 0.00 175.02 173.53 2ckh s GLU 78 N -4.84 1.85 0.27 2.03 2.02 -1.26 -4.74 118.70 114.03 2ckh s GLU 78 Ca 0.59 -2.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.18 2ckh s GLU 78 Cb -0.14 0.02 -0.13 0.00 0.10 0.00 0.00 34.13 33.97 2ckh s GLU 78 CO 0.51 -0.61 1.44 -3.47 0.02 0.00 0.00 175.26 173.15 2ckh n ASP 79 N -1.53 3.05 -1.07 -0.19 2.03 -1.26 -2.40 116.55 115.19 2ckh n ASP 79 Ca 0.03 1.15 -0.14 0.00 0.52 0.00 0.00 54.79 56.35 2ckh n ASP 79 Cb 0.63 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.49 2ckh n ASP 79 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ckh n GLU 80 N 1.82 -1.57 -1.62 -0.67 -0.58 0.25 -4.93 120.64 113.34 2ckh n GLU 80 Ca 0.10 0.99 -0.32 0.00 -0.42 0.00 0.00 57.16 57.50 2ckh n GLU 80 Cb 0.34 -5.37 0.06 0.00 -0.57 0.00 0.00 31.44 25.89 2ckh n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ckh s ASP 81 N -2.54 4.96 -0.04 1.62 1.01 -1.01 -4.68 116.67 115.99 2ckh s ASP 81 Ca 0.00 1.94 0.03 0.00 0.71 0.00 0.00 52.55 55.23 2ckh s ASP 81 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2ckh s ASP 81 CO 0.00 -1.73 -0.12 -0.89 0.21 0.00 0.00 175.17 172.65 2ckh s THR 82 N -2.51 3.30 -0.16 -1.27 2.01 -1.26 -1.46 115.64 114.28 2ckh s THR 82 Ca 0.65 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2ckh s THR 82 Cb -0.19 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2ckh s THR 82 CO 0.46 0.56 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.24 2ckh s ILE 83 N -0.80 3.41 0.09 1.82 1.01 0.16 -4.60 121.20 122.29 2ckh s ILE 83 Ca 0.13 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 2ckh s ILE 83 Cb -0.11 -2.49 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 2ckh s ILE 83 CO 0.02 0.49 0.61 -1.81 0.00 0.00 0.00 174.94 174.24 2ckh s ASP 84 N 0.65 7.12 -0.04 3.58 1.11 -0.17 -1.01 116.67 127.91 2ckh s ASP 84 Ca -0.04 1.33 0.03 0.00 0.18 0.00 0.00 52.55 54.04 2ckh s ASP 84 Cb -0.15 -2.38 0.01 0.00 1.07 0.00 0.00 42.92 41.46 2ckh s ASP 84 CO 0.02 0.26 -0.11 0.54 1.18 0.00 0.00 175.17 177.07 2ckh s VAL 85 N -1.13 0.95 0.22 -1.27 0.11 -1.00 -0.50 120.40 117.77 2ckh s VAL 85 Ca 0.31 -0.42 0.09 0.00 -2.93 0.00 0.00 61.98 59.02 2ckh s VAL 85 Cb -0.20 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 2ckh s VAL 85 CO 0.20 0.30 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.76 2ckh s PHE 86 N 0.38 1.82 0.48 1.54 0.40 -0.65 -3.40 117.98 118.54 2ckh s PHE 86 Ca -0.07 -0.53 -0.21 0.00 -0.60 0.00 0.00 56.93 55.52 2ckh s PHE 86 Cb -0.12 -0.83 -0.08 0.00 0.51 0.00 0.00 43.02 42.50 2ckh s PHE 86 CO 0.02 0.42 1.05 -1.14 0.70 0.00 0.00 175.22 176.27 2ckh s GLN 87 N -3.62 3.82 0.40 0.44 0.74 -1.26 -1.86 119.66 118.32 2ckh s GLN 87 Ca 0.24 1.42 0.06 0.00 0.05 0.00 0.00 55.36 57.13 2ckh s GLN 87 Cb -0.02 -2.17 0.82 0.00 1.10 0.00 0.00 33.01 32.75 2ckh s GLN 87 CO 0.08 -0.42 2.04 0.37 -0.55 0.00 0.00 175.29 176.81 2ckh h GLN 88 N 1.70 0.56 -3.32 1.67 4.15 -1.32 -3.46 115.11 115.09 2ckh h GLN 88 Ca -0.49 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2ckh h GLN 88 Cb 1.22 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.79 2ckh h GLN 88 CO 0.59 0.39 -0.71 0.00 -1.93 0.00 0.00 178.83 177.17 2ckh n GLN 89 N -4.46 -4.06 -4.11 1.69 10.64 -1.26 -5.05 117.38 110.77 2ckh n GLN 89 Ca 0.03 2.98 -0.13 0.00 -1.83 0.00 0.00 57.00 58.05 2ckh n GLN 89 Cb 0.07 -3.14 -0.11 0.00 -0.86 0.00 0.00 30.24 26.20 2ckh n GLN 89 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2ckh s THR 90 N -0.89 0.67 -0.09 -0.39 -1.32 -1.26 -5.16 115.64 107.18 2ckh s THR 90 Ca 0.00 -1.39 -0.25 0.00 -1.21 0.00 0.00 61.69 58.84 2ckh s THR 90 Cb 0.00 -1.02 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 2ckh s THR 90 CO 0.00 -0.53 0.58 -0.83 -2.21 0.00 0.00 174.62 171.63 2ckh s GLY 91 N -2.09 -0.45 0.00 6.08 0.00 -1.26 -5.31 107.32 104.29 2ckh s GLY 91 Ca -0.02 1.22 0.15 0.00 0.00 0.00 0.00 44.72 46.07 2ckh s GLY 91 CO -0.01 0.93 0.99 0.61 0.00 0.00 0.00 173.10 175.61