#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khp s PRO 2 N 0.00 2.53 0.00 1.61 0.04 -1.26 -4.06 135.00 133.86 2khp s PRO 2 Ca 0.00 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.43 2khp s PRO 2 Cb 0.00 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2khp s PRO 2 CO 0.00 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.85 2khp n GLY 3 N 6.47 -0.07 2.88 0.56 0.00 -1.26 -5.05 105.19 108.72 2khp n GLY 3 Ca 0.42 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2khp n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2khp n SER 4 N 0.00 4.34 -3.75 1.61 7.64 -1.26 -4.87 113.62 117.33 2khp n SER 4 Ca 0.00 -2.92 -0.12 0.00 1.01 0.00 0.00 58.87 56.84 2khp n SER 4 Cb 0.00 -1.62 -0.08 0.00 -1.01 0.00 0.00 64.21 61.50 2khp n SER 4 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2khp s MET 5 N 2.55 0.77 0.08 1.43 0.00 -1.25 -4.80 119.30 118.08 2khp s MET 5 Ca 0.46 -0.38 0.05 0.00 0.00 0.00 0.00 55.69 55.82 2khp s MET 5 Cb 0.11 0.34 -0.03 0.00 0.00 0.00 0.00 34.83 35.25 2khp s MET 5 CO -0.05 -0.24 -0.14 0.14 0.00 0.00 0.00 175.02 174.73 2khp s VAL 6 N -2.11 1.14 0.09 10.11 -7.23 -1.25 -5.02 120.40 116.13 2khp s VAL 6 Ca -0.08 -1.35 -0.31 0.00 -1.81 0.00 0.00 61.98 58.43 2khp s VAL 6 Cb -0.02 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.72 2khp s VAL 6 CO -0.00 -0.24 1.47 -0.62 -0.31 0.00 0.00 175.10 175.39 2khp s ASP 7 N -1.81 6.75 -0.06 4.85 -1.08 -1.26 -4.74 116.67 119.33 2khp s ASP 7 Ca -0.01 2.35 0.05 0.00 -0.52 0.00 0.00 52.55 54.43 2khp s ASP 7 Cb -0.09 -2.58 -0.01 0.00 -1.46 0.00 0.00 42.92 38.77 2khp s ASP 7 CO 0.02 -0.73 -0.22 -0.69 0.52 0.00 0.00 175.17 174.07 2khp s VAL 8 N 1.65 2.31 0.00 1.11 1.01 -1.26 -2.66 120.40 122.57 2khp s VAL 8 Ca 0.67 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2khp s VAL 8 Cb -0.37 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2khp s VAL 8 CO 0.30 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 175.23 2khp s ILE 9 N -0.25 0.89 -0.04 2.22 1.01 -0.47 -1.52 121.20 123.04 2khp s ILE 9 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.07 2khp s ILE 9 Cb -0.13 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2khp s ILE 9 CO 0.03 0.16 -0.13 -0.51 0.00 0.00 0.00 174.94 174.49 2khp s ILE 10 N -0.44 1.11 -0.21 2.92 2.07 -0.43 -0.60 121.20 125.63 2khp s ILE 10 Ca 0.03 -0.52 -0.03 0.00 -1.41 0.00 0.00 60.65 58.72 2khp s ILE 10 Cb -0.05 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 2khp s ILE 10 CO -0.00 0.33 -0.06 -0.31 -1.91 0.00 0.00 174.94 173.00 2khp s TYR 11 N 0.25 2.94 0.22 3.50 1.51 -0.35 -1.22 117.35 124.19 2khp s TYR 11 Ca -0.06 -0.91 0.04 0.00 -1.01 0.00 0.00 57.07 55.13 2khp s TYR 11 Cb -0.11 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2khp s TYR 11 CO 0.02 -0.50 0.16 0.25 -1.11 0.00 0.00 175.55 174.37 2khp n THR 12 N 4.60 0.00 -3.99 -0.71 -2.24 -0.44 -1.62 114.28 109.88 2khp n THR 12 Ca -0.18 -1.52 -0.08 0.00 -2.27 0.00 0.00 64.05 59.99 2khp n THR 12 Cb 0.51 0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 2khp n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khp s ARG 13 N -2.88 0.59 -0.40 -0.78 1.70 -1.26 -0.78 118.95 115.15 2khp s ARG 13 Ca 0.22 -0.94 -0.28 0.00 -0.47 0.00 0.00 55.73 54.26 2khp s ARG 13 Cb 0.01 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.60 2khp s ARG 13 CO 0.16 -0.13 1.73 -1.25 -1.08 0.00 0.00 175.30 174.72 2khp s PRO 14 N -3.13 3.26 0.00 3.89 0.04 -1.26 -2.98 135.00 134.82 2khp s PRO 14 Ca -0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2khp s PRO 14 Cb 0.02 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2khp s PRO 14 CO -0.07 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.43 2khp n GLY 15 N 5.40 1.90 3.18 0.56 0.00 -1.26 -5.11 105.19 109.87 2khp n GLY 15 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2khp n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khp h PRO 17 N 8.01 -0.00 -0.02 0.00 0.13 -1.99 -2.41 132.00 135.73 2khp h PRO 17 Ca -0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2khp h PRO 17 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2khp h PRO 17 CO 0.54 0.48 0.01 1.88 -0.23 0.00 0.00 178.00 180.68 2khp h TYR 18 N -0.49 0.02 0.12 1.56 0.05 -2.00 -2.34 116.97 113.89 2khp h TYR 18 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2khp h TYR 18 Cb 0.49 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2khp h TYR 18 CO 0.09 0.02 -0.06 0.00 -1.05 0.00 0.00 178.16 177.16 2khp h ALA 20 N -0.04 0.61 -0.72 0.00 0.00 -1.13 -0.69 119.26 117.29 2khp h ALA 20 Ca -0.02 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2khp h ALA 20 Cb 0.54 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2khp h ALA 20 CO 0.03 -0.34 0.36 0.00 0.00 0.00 0.00 179.25 179.29 2khp h ARG 21 N 0.19 0.58 0.09 0.00 3.08 -1.50 -0.79 114.38 116.04 2khp h ARG 21 Ca 0.29 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2khp h ARG 21 Cb 0.44 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2khp h ARG 21 CO -0.42 0.39 -0.04 0.00 -1.07 0.00 0.00 179.97 178.83 2khp h ALA 22 N 1.44 -0.12 -0.37 0.04 0.00 -1.04 -0.65 119.26 118.57 2khp h ALA 22 Ca 0.35 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2khp h ALA 22 Cb 0.38 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2khp h ALA 22 CO -0.27 -0.51 0.01 0.87 0.00 0.00 0.00 179.25 179.35 2khp h LYS 23 N -0.23 0.11 -0.75 0.00 1.57 -0.74 -0.75 116.57 115.79 2khp h LYS 23 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2khp h LYS 23 Cb 0.19 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2khp h LYS 23 CO 0.02 0.07 0.42 0.00 -0.57 0.00 0.00 179.45 179.39 2khp h ALA 24 N 1.32 0.96 -0.71 3.86 0.00 -1.06 -0.41 119.26 123.22 2khp h ALA 24 Ca 0.18 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2khp h ALA 24 Cb 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2khp h ALA 24 CO -0.29 0.46 0.46 1.25 0.00 0.00 0.00 179.25 181.12 2khp h LEU 25 N 1.03 0.78 -0.57 0.00 5.85 -0.28 0.25 115.31 122.37 2khp h LEU 25 Ca 0.26 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.82 2khp h LEU 25 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2khp h LEU 25 CO -0.04 0.55 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.06 2khp h LEU 26 N 0.92 0.64 -0.80 2.25 3.38 -0.81 -2.94 115.31 117.94 2khp h LEU 26 Ca 0.27 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2khp h LEU 26 Cb -0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2khp h LEU 26 CO -0.08 1.02 -0.40 0.00 0.09 0.00 0.00 178.44 179.06 2khp h ALA 27 N 1.01 0.94 0.05 1.53 0.00 -0.55 -1.60 119.26 120.64 2khp h ALA 27 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2khp h ALA 27 Cb 1.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2khp h ALA 27 CO 0.09 0.50 -0.02 -0.09 0.00 0.00 0.00 179.25 179.74 2khp h ARG 28 N 0.00 -0.06 0.00 0.00 9.65 -0.34 -2.34 114.38 121.30 2khp h ARG 28 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2khp h ARG 28 Cb 0.97 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2khp h ARG 28 CO 0.05 0.13 0.00 1.57 2.80 0.00 0.00 179.97 184.52 2khp h LYS 29 N -0.24 0.00 0.00 0.20 2.10 -1.57 -3.45 116.57 113.61 2khp h LYS 29 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2khp h LYS 29 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2khp h LYS 29 CO 0.01 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.87 2khp n GLY 30 N -0.66 0.98 3.61 0.07 0.00 -0.88 -5.06 105.19 103.25 2khp n GLY 30 Ca -0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2khp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khp s ALA 31 N -2.00 3.44 0.16 4.61 0.00 -0.60 -5.01 121.76 122.36 2khp s ALA 31 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2khp s ALA 31 Cb 0.00 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 2khp s ALA 31 CO 0.00 -1.51 0.98 -1.83 0.00 0.00 0.00 175.76 173.40 2khp s GLU 32 N 3.36 4.73 -0.06 0.00 -1.05 -1.26 -4.15 118.70 120.28 2khp s GLU 32 Ca 0.37 1.51 -0.15 0.00 -0.15 0.00 0.00 54.97 56.55 2khp s GLU 32 Cb -0.12 -3.33 0.03 0.00 -0.44 0.00 0.00 34.13 30.27 2khp s GLU 32 CO 0.17 0.29 0.36 -0.59 0.95 0.00 0.00 175.26 176.44 2khp s PHE 33 N -0.43 -0.29 -0.22 4.83 -0.12 -1.26 -4.55 117.98 115.94 2khp s PHE 33 Ca 0.45 0.56 -0.29 0.00 -0.05 0.00 0.00 56.93 57.61 2khp s PHE 33 Cb -0.25 0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.28 2khp s PHE 33 CO 0.31 -0.35 1.01 1.21 -0.05 0.00 0.00 175.22 177.36 2khp s ASN 34 N -0.84 7.08 -0.32 1.98 2.47 -0.58 -4.90 114.94 119.83 2khp s ASN 34 Ca -0.09 1.35 -0.24 0.00 0.42 0.00 0.00 52.86 54.30 2khp s ASN 34 Cb -0.04 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2khp s ASN 34 CO 0.03 -0.64 0.83 -0.70 -3.72 0.00 0.00 177.10 172.91 2khp s GLU 35 N 3.07 3.93 0.05 0.43 -6.30 -1.26 -1.31 118.70 117.31 2khp s GLU 35 Ca 0.43 0.60 0.06 0.00 -2.50 0.00 0.00 54.97 53.57 2khp s GLU 35 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 34.13 30.21 2khp s GLU 35 CO 0.07 -0.75 -0.18 0.42 0.02 0.00 0.00 175.26 174.84 2khp s ILE 36 N 3.10 1.42 0.24 -3.70 1.01 -0.36 -5.00 121.20 117.91 2khp s ILE 36 Ca 0.34 -1.15 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 2khp s ILE 36 Cb -0.14 -1.27 -0.07 0.00 0.01 0.00 0.00 42.46 40.99 2khp s ILE 36 CO 0.14 0.08 0.58 -1.81 0.00 0.00 0.00 174.94 173.93 2khp s ASP 37 N -1.25 6.68 -0.09 3.58 1.01 -1.26 -1.33 116.67 124.00 2khp s ASP 37 Ca 0.05 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.32 2khp s ASP 37 Cb -0.09 -2.26 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 2khp s ASP 37 CO 0.02 -0.07 -0.07 0.00 0.21 0.00 0.00 175.17 175.25 2khp n ALA 38 N -0.06 1.80 0.27 5.23 0.00 0.04 -4.55 120.51 123.24 2khp n ALA 38 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.17 2khp n ALA 38 Cb 0.52 0.26 0.69 0.00 0.00 0.00 0.00 19.45 20.93 2khp n ALA 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2khp h SER 39 N 0.00 0.00 -0.97 0.00 4.64 -1.91 -2.68 113.55 112.63 2khp h SER 39 Ca -0.21 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.37 2khp h SER 39 Cb 1.34 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.37 2khp h SER 39 CO -0.03 0.00 0.66 0.00 -0.87 0.00 0.00 176.83 176.60 2khp h ALA 40 N 2.07 2.53 -2.38 5.18 0.00 -1.91 -3.42 119.26 121.32 2khp h ALA 40 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2khp h ALA 40 Cb 0.15 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.82 2khp h ALA 40 CO 0.00 -0.84 -0.62 0.95 0.00 0.00 0.00 179.25 178.74 2khp s THR 41 N -5.24 0.19 0.15 0.00 -4.23 -1.03 -5.06 115.64 100.41 2khp s THR 41 Ca -0.07 -1.57 -0.10 0.00 -1.18 0.00 0.00 61.69 58.77 2khp s THR 41 Cb 0.23 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2khp s THR 41 CO 0.79 -0.86 1.48 1.55 -0.54 0.00 0.00 174.62 177.03 2khp h PRO 42 N 3.25 0.93 -0.04 3.99 0.13 -1.83 -2.51 132.00 135.92 2khp h PRO 42 Ca -0.34 -0.49 -0.02 0.00 -0.87 0.00 0.00 66.00 64.29 2khp h PRO 42 Cb 1.16 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2khp h PRO 42 CO 0.61 1.14 -0.04 1.49 -0.23 0.00 0.00 178.00 180.97 2khp h GLU 43 N 0.76 0.10 -0.73 0.86 4.81 -1.97 0.23 114.58 118.64 2khp h GLU 43 Ca 0.06 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2khp h GLU 43 Cb 0.98 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 2khp h GLU 43 CO 0.09 0.57 0.48 -0.07 -0.73 0.00 0.00 179.01 179.35 2khp h LEU 44 N -0.37 0.63 0.00 1.64 3.38 -1.79 0.23 115.31 119.03 2khp h LEU 44 Ca 0.01 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2khp h LEU 44 Cb 0.55 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2khp h LEU 44 CO 0.01 0.40 -0.92 -0.09 0.09 0.00 0.00 178.44 177.94 2khp h ARG 45 N 0.72 0.00 0.03 1.13 1.12 -1.16 -3.12 114.38 113.09 2khp h ARG 45 Ca 0.32 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.19 2khp h ARG 45 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2khp h ARG 45 CO -0.11 0.41 -0.01 0.00 -3.11 0.00 0.00 179.97 177.15 2khp h ALA 46 N 1.47 -0.04 -0.57 2.80 0.00 0.82 -1.55 119.26 122.20 2khp h ALA 46 Ca -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2khp h ALA 46 Cb 1.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2khp h ALA 46 CO 0.06 -0.15 0.26 1.05 0.00 0.00 0.00 179.25 180.47 2khp h GLU 47 N -0.78 0.80 0.17 0.00 4.11 -0.77 0.25 114.58 118.37 2khp h GLU 47 Ca -0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 2khp h GLU 47 Cb 0.70 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2khp h GLU 47 CO 0.01 0.63 -0.08 0.52 0.07 0.00 0.00 179.01 180.15 2khp h MET 48 N 0.80 -0.22 0.00 1.06 2.86 -1.61 -2.94 114.93 114.86 2khp h MET 48 Ca 0.20 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2khp h MET 48 Cb 0.10 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2khp h MET 48 CO -0.02 0.19 -0.11 -0.56 1.06 0.00 0.00 176.91 177.47 2khp h GLN 49 N -0.77 0.00 0.00 1.72 3.07 -1.17 -1.78 115.11 116.17 2khp h GLN 49 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.65 2khp h GLN 49 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2khp h GLN 49 CO 0.04 0.11 -0.32 1.49 0.09 0.00 0.00 178.83 180.24 2khp h GLU 50 N 0.00 0.00 -0.05 0.06 4.81 -0.46 0.80 114.58 119.73 2khp h GLU 50 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2khp h GLU 50 Cb 0.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2khp h GLU 50 CO 0.01 0.32 -0.71 0.00 -0.73 0.00 0.00 179.01 177.90 2khp h ARG 51 N 0.00 0.27 0.09 1.92 3.08 -1.14 -3.29 114.38 115.32 2khp h ARG 51 Ca -0.00 -0.22 -0.34 0.00 0.07 0.00 0.00 59.98 59.48 2khp h ARG 51 Cb 0.84 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 2khp h ARG 51 CO 0.04 0.87 -1.87 1.03 -1.07 0.00 0.00 179.97 178.97 2khp h SER 52 N 0.19 0.31 0.00 7.04 0.87 -1.54 -3.49 113.55 116.93 2khp h SER 52 Ca -0.02 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2khp h SER 52 Cb 1.27 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2khp h SER 52 CO 0.11 1.59 0.00 0.61 -0.53 0.00 0.00 176.83 178.61 2khp n GLY 53 N 1.84 0.89 3.35 5.77 0.00 0.26 -5.08 105.19 112.23 2khp n GLY 53 Ca -0.26 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 2khp n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khp s ARG 54 N -1.75 1.68 0.00 1.61 1.81 -1.18 -5.06 118.95 116.07 2khp s ARG 54 Ca 0.00 -1.97 0.00 0.00 -1.72 0.00 0.00 55.73 52.04 2khp s ARG 54 Cb 0.00 -0.08 0.00 0.00 -0.45 0.00 0.00 34.95 34.42 2khp s ARG 54 CO 0.00 -0.50 0.76 0.27 -0.68 0.00 0.00 175.30 175.15 2khp n ASN 55 N -1.12 0.00 -3.64 0.23 0.23 -1.26 -4.73 115.26 104.97 2khp n ASN 55 Ca 0.01 0.76 -0.08 0.00 -0.53 0.00 0.00 54.58 54.75 2khp n ASN 55 Cb 0.64 -0.26 -0.07 0.00 -2.08 0.00 0.00 39.78 38.01 2khp n ASN 55 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2khp s THR 56 N -2.04 0.00 0.13 5.53 2.01 -1.26 -4.79 115.64 115.22 2khp s THR 56 Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 2khp s THR 56 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2khp s THR 56 CO 0.00 0.00 0.22 0.72 -0.69 0.00 0.00 174.62 174.87 2khp s PHE 57 N 1.28 0.33 0.02 4.92 -0.71 -1.26 -5.11 117.98 117.45 2khp s PHE 57 Ca -0.07 -0.73 -0.30 0.00 -1.04 0.00 0.00 56.93 54.79 2khp s PHE 57 Cb -0.05 -0.10 -0.06 0.00 -1.21 0.00 0.00 43.02 41.60 2khp s PHE 57 CO -0.15 -0.62 1.43 -1.25 -1.34 0.00 0.00 175.22 173.30 2khp s PRO 58 N -3.93 4.27 -0.20 1.99 0.04 -1.26 -4.88 135.00 131.04 2khp s PRO 58 Ca 0.12 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 2khp s PRO 58 Cb 0.04 -3.54 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 2khp s PRO 58 CO -0.05 -0.58 0.12 -0.65 0.04 0.00 0.00 177.00 175.88 2khp s GLN 59 N 2.29 4.15 -0.33 4.56 1.11 -0.64 -3.22 119.66 127.58 2khp s GLN 59 Ca 0.65 -0.24 0.04 0.00 0.01 0.00 0.00 55.36 55.82 2khp s GLN 59 Cb -0.33 -3.39 0.09 0.00 -1.01 0.00 0.00 33.01 28.37 2khp s GLN 59 CO 0.28 0.28 0.03 0.42 0.01 0.00 0.00 175.29 176.31 2khp s ILE 60 N 0.41 2.30 -0.33 1.08 1.09 0.24 -1.22 121.20 124.78 2khp s ILE 60 Ca 0.07 -2.24 -0.15 0.00 -1.10 0.00 0.00 60.65 57.22 2khp s ILE 60 Cb -0.11 -2.65 -0.02 0.00 -1.06 0.00 0.00 42.46 38.61 2khp s ILE 60 CO -0.01 -0.53 0.38 -0.36 -0.10 0.00 0.00 174.94 174.32 2khp s PHE 61 N 0.93 3.21 -0.18 3.97 0.08 0.23 -0.07 117.98 126.15 2khp s PHE 61 Ca 0.08 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.23 2khp s PHE 61 Cb -0.19 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 2khp s PHE 61 CO -0.07 -0.40 -0.16 0.42 -0.10 0.00 0.00 175.22 174.91 2khp s ILE 62 N 2.07 2.47 0.00 0.64 1.01 -0.21 -1.36 121.20 125.82 2khp s ILE 62 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2khp s ILE 62 Cb -0.16 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2khp s ILE 62 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.18 2khp n GLY 63 N 4.44 1.25 0.00 6.18 0.00 -1.09 -1.54 105.19 114.43 2khp n GLY 63 Ca -0.20 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2khp n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2khp n SER 64 N 10.87 1.67 -4.34 1.61 3.41 -1.02 -4.82 113.62 121.00 2khp n SER 64 Ca 0.00 -1.75 -0.25 0.00 -0.26 0.00 0.00 58.87 56.61 2khp n SER 64 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2khp n SER 64 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2khp s VAL 65 N -0.75 1.93 -0.53 -3.33 1.01 -0.59 -5.10 120.40 113.05 2khp s VAL 65 Ca 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.08 2khp s VAL 65 Cb 0.00 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.70 2khp s VAL 65 CO 0.00 -0.09 0.53 -2.28 0.00 0.00 0.00 175.10 173.26 2khp s HIS 66 N -1.39 3.18 0.00 5.22 2.46 -1.26 -1.04 115.29 122.45 2khp s HIS 66 Ca 0.12 -1.06 0.00 0.00 0.47 0.00 0.00 55.06 54.59 2khp s HIS 66 Cb -0.09 -3.65 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 2khp s HIS 66 CO 0.06 -1.02 0.72 0.28 -2.47 0.00 0.00 174.74 172.31 2khp n VAL 67 N 5.33 0.00 0.00 0.89 0.31 0.89 -4.97 118.33 120.78 2khp n VAL 67 Ca -0.12 1.22 0.00 0.00 -0.01 0.00 0.00 64.34 65.43 2khp n VAL 67 Cb 0.42 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 2khp n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2khp n GLY 68 N -0.84 -0.72 0.00 2.92 0.00 -1.20 -4.91 105.19 100.44 2khp n GLY 68 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2khp n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khp n GLY 69 N 0.00 4.77 0.34 -0.02 0.00 -1.20 -0.59 105.19 108.49 2khp n GLY 69 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.32 2khp n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khp h ASP 71 N 0.47 0.08 -0.40 0.00 1.82 -1.95 -0.60 116.42 115.83 2khp h ASP 71 Ca 0.25 -0.50 -0.09 0.00 -0.39 0.00 0.00 57.03 56.30 2khp h ASP 71 Cb 0.37 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 2khp h ASP 71 CO -0.07 0.57 -0.05 0.44 -1.61 0.00 0.00 179.24 178.52 2khp h ASP 72 N -0.41 0.81 -0.37 2.28 5.19 -1.78 0.24 116.42 122.38 2khp h ASP 72 Ca 0.00 -0.22 -0.13 0.00 -0.62 0.00 0.00 57.03 56.07 2khp h ASP 72 Cb 0.55 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 2khp h ASP 72 CO 0.01 0.90 -0.26 0.25 -3.12 0.00 0.00 179.24 177.02 2khp h LEU 73 N 0.76 0.87 -0.35 1.55 5.85 -0.53 0.60 115.31 124.06 2khp h LEU 73 Ca 0.14 -0.43 -0.19 0.00 0.84 0.00 0.00 57.88 58.23 2khp h LEU 73 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2khp h LEU 73 CO 0.03 1.12 -0.81 1.88 -0.34 0.00 0.00 178.44 180.32 2khp h TYR 74 N 0.63 0.45 -0.03 1.25 -1.99 -0.95 -0.94 116.97 115.40 2khp h TYR 74 Ca 0.07 -0.22 -0.18 0.00 2.00 0.00 0.00 58.73 60.40 2khp h TYR 74 Cb 0.83 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 2khp h TYR 74 CO 0.06 0.99 -0.78 0.00 -0.00 0.00 0.00 178.16 178.43 2khp h ALA 75 N 0.94 0.62 0.03 3.88 0.00 -0.47 -2.91 119.26 121.35 2khp h ALA 75 Ca -0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 2khp h ALA 75 Cb 1.40 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2khp h ALA 75 CO 0.13 0.84 -0.24 -0.07 0.00 0.00 0.00 179.25 179.91 2khp h LEU 76 N 0.15 0.16 -2.28 0.00 -0.00 -0.87 -3.27 115.31 109.21 2khp h LEU 76 Ca -0.03 -0.91 0.04 0.00 -0.00 0.00 0.00 57.88 56.97 2khp h LEU 76 Cb 1.37 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 2khp h LEU 76 CO 0.12 1.06 0.15 1.05 -0.00 0.00 0.00 178.44 180.82 2khp h GLU 77 N -0.71 0.00 -0.15 1.13 -0.00 -1.26 0.56 114.58 114.14 2khp h GLU 77 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.23 2khp h GLU 77 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.86 2khp h GLU 77 CO 0.05 0.00 -0.30 0.22 -0.00 0.00 0.00 179.01 178.97 2khp h ASP 78 N 0.00 0.30 0.64 3.06 3.58 -1.56 -2.93 116.42 119.51 2khp h ASP 78 Ca 0.06 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2khp h ASP 78 Cb 0.36 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2khp h ASP 78 CO -0.00 0.60 -1.38 -0.62 -2.88 0.00 0.00 179.24 174.96 2khp n GLU 79 N -4.11 0.63 -1.51 0.28 1.02 0.01 -4.98 120.64 111.98 2khp n GLU 79 Ca -0.01 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2khp n GLU 79 Cb 0.41 -1.73 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2khp n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2khp n GLY 80 N 1.24 0.41 0.09 0.62 0.00 -0.16 -4.93 105.19 102.45 2khp n GLY 80 Ca -0.03 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.10 2khp n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2khp n LYS 81 N -2.10 0.62 -0.30 1.61 4.76 -1.21 -4.11 118.16 117.45 2khp n LYS 81 Ca -0.02 0.15 0.16 0.00 -2.87 0.00 0.00 58.31 55.73 2khp n LYS 81 Cb 0.27 -1.78 0.41 0.00 -1.84 0.00 0.00 35.03 32.09 2khp n LYS 81 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2khp h LEU 82 N 0.00 0.60 -1.05 -0.35 6.46 -1.92 0.93 115.31 119.98 2khp h LEU 82 Ca -0.12 0.06 0.13 0.00 -0.12 0.00 0.00 57.88 57.84 2khp h LEU 82 Cb 1.39 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.19 2khp h LEU 82 CO 0.03 0.24 0.62 -0.78 -0.62 0.00 0.00 178.44 177.93 2khp h ASP 83 N 0.60 0.87 1.20 1.25 3.58 -1.94 0.04 116.42 122.02 2khp h ASP 83 Ca 0.52 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.86 2khp h ASP 83 Cb 1.01 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 2khp h ASP 83 CO -0.26 0.44 -0.81 -1.28 -2.88 0.00 0.00 179.24 174.45 2khp h SER 84 N 0.92 0.00 -0.24 2.28 0.87 -1.10 -2.74 113.55 113.53 2khp h SER 84 Ca 0.50 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.94 2khp h SER 84 Cb 0.58 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2khp h SER 84 CO -0.27 0.75 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.43 2khp h LEU 85 N 0.00 0.76 0.00 2.23 -0.00 -0.14 0.24 115.31 118.41 2khp h LEU 85 Ca -0.02 -0.29 -0.07 0.00 -0.00 0.00 0.00 57.88 57.49 2khp h LEU 85 Cb 1.59 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 2khp h LEU 85 CO 0.09 1.00 -0.55 0.17 -0.00 0.00 0.00 178.44 179.15 2khp h LEU 86 N 0.63 0.00 0.18 1.67 8.10 -1.16 0.24 115.31 124.98 2khp h LEU 86 Ca 0.08 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.75 2khp h LEU 86 Cb 0.79 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.03 2khp h LEU 86 CO 0.07 0.28 -1.52 0.11 -4.11 0.00 0.00 178.44 173.27 2khp h LYS 87 N 0.00 0.39 0.10 0.17 1.57 -1.29 -3.32 116.57 114.18 2khp h LYS 87 Ca -0.03 -0.66 -0.36 0.00 -1.87 0.00 0.00 60.65 57.74 2khp h LYS 87 Cb 1.24 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.77 2khp h LYS 87 CO 0.03 1.32 -1.99 0.25 -0.57 0.00 0.00 179.45 178.49 2khp n THR 88 N -3.75 1.74 -0.75 -0.16 -2.24 0.84 -3.94 114.28 106.01 2khp n THR 88 Ca -0.22 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2khp n THR 88 Cb 1.02 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2khp n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2khp n GLY 89 N 1.94 0.55 3.44 3.38 0.00 0.84 -4.86 105.19 110.48 2khp n GLY 89 Ca -0.30 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 2khp n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khp s LYS 90 N -1.35 1.30 -0.10 1.61 3.01 -1.24 -2.43 119.74 120.55 2khp s LYS 90 Ca 0.00 -1.10 -0.18 0.00 -1.01 0.00 0.00 55.97 53.68 2khp s LYS 90 Cb 0.00 0.44 -0.04 0.00 -1.01 0.00 0.00 37.83 37.21 2khp s LYS 90 CO 0.00 -0.51 0.47 -0.48 0.51 0.00 0.00 175.35 175.34 2khp s LEU 91 N -2.95 4.31 0.00 3.17 0.05 -1.26 -4.59 118.68 117.41 2khp s LEU 91 Ca 0.16 0.85 0.00 0.00 0.05 0.00 0.00 54.13 55.19 2khp s LEU 91 Cb 0.01 -2.69 0.00 0.00 -2.05 0.00 0.00 46.19 41.46 2khp s LEU 91 CO 0.01 0.05 0.35 2.30 -0.55 0.00 0.00 176.35 178.50