#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 4.42 0.53 1.61 0.04 -1.26 -4.28 135.00 136.06 2khp s PRO 2 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2khp s PRO 2 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2khp s PRO 2 CO 0.00 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2khp n GLY 3 N 1.71 2.26 3.46 0.56 0.00 -1.26 -4.80 105.19 107.12 2khp n GLY 3 Ca 0.03 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2khp n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2khp n SER 4 N 5.08 -6.14 -4.14 1.61 2.88 -1.26 -4.99 113.62 106.66 2khp n SER 4 Ca 0.00 -0.49 -0.12 0.00 -1.33 0.00 0.00 58.87 56.94 2khp n SER 4 Cb 0.00 -4.87 -0.11 0.00 -0.75 0.00 0.00 64.21 58.48 2khp n SER 4 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2khp s MET 5 N -6.17 0.74 0.02 -1.46 1.75 -1.26 -4.71 119.30 108.21 2khp s MET 5 Ca 0.51 -1.13 0.04 0.00 -1.25 0.00 0.00 55.69 53.86 2khp s MET 5 Cb -0.23 -0.27 -0.02 0.00 2.84 0.00 0.00 34.83 37.15 2khp s MET 5 CO 0.63 0.02 -0.12 0.14 -0.65 0.00 0.00 175.02 175.04 2khp s VAL 6 N -2.77 0.94 0.12 10.11 -7.23 -1.25 -5.02 120.40 115.30 2khp s VAL 6 Ca 0.04 -0.77 -0.31 0.00 -1.81 0.00 0.00 61.98 59.13 2khp s VAL 6 Cb -0.01 -0.84 -0.09 0.00 0.56 0.00 0.00 36.38 36.01 2khp s VAL 6 CO -0.03 0.07 1.51 -0.62 -0.31 0.00 0.00 175.10 175.72 2khp s ASP 7 N -0.80 6.69 -0.18 4.85 2.15 -1.26 -4.70 116.67 123.42 2khp s ASP 7 Ca 0.02 2.45 -0.00 0.00 0.43 0.00 0.00 52.55 55.44 2khp s ASP 7 Cb -0.06 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2khp s ASP 7 CO 0.00 -0.77 -0.15 -0.69 -0.17 0.00 0.00 175.17 173.40 2khp s VAL 8 N 1.50 2.58 -0.14 1.11 1.01 -1.26 -1.75 120.40 123.45 2khp s VAL 8 Ca 0.68 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2khp s VAL 8 Cb -0.40 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2khp s VAL 8 CO 0.31 0.50 -0.11 -0.63 0.00 0.00 0.00 175.10 175.17 2khp s ILE 9 N 1.16 3.27 -0.07 2.22 1.01 0.42 -0.10 121.20 129.10 2khp s ILE 9 Ca 0.01 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.12 2khp s ILE 9 Cb -0.14 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2khp s ILE 9 CO -0.06 0.51 -0.21 -0.51 0.00 0.00 0.00 174.94 174.67 2khp s ILE 10 N 0.37 2.36 -0.22 2.92 2.07 -0.24 -0.10 121.20 128.36 2khp s ILE 10 Ca -0.09 -0.95 -0.03 0.00 -1.41 0.00 0.00 60.65 58.17 2khp s ILE 10 Cb -0.15 -1.90 0.00 0.00 0.13 0.00 0.00 42.46 40.54 2khp s ILE 10 CO 0.05 0.56 -0.06 -0.31 -1.91 0.00 0.00 174.94 173.27 2khp s TYR 11 N -0.10 2.96 0.02 3.50 1.51 -0.17 -1.18 117.35 123.89 2khp s TYR 11 Ca -0.04 -1.13 -0.12 0.00 -1.01 0.00 0.00 57.07 54.77 2khp s TYR 11 Cb -0.14 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 2khp s TYR 11 CO 0.04 -0.61 0.24 -0.08 -1.11 0.00 0.00 175.55 174.03 2khp s THR 12 N 1.43 0.08 0.20 -0.71 -1.32 -0.51 -1.59 115.64 113.22 2khp s THR 12 Ca 0.05 -0.69 0.05 0.00 -1.21 0.00 0.00 61.69 59.89 2khp s THR 12 Cb -0.15 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 2khp s THR 12 CO -0.04 -0.38 0.20 0.00 -2.21 0.00 0.00 174.62 172.19 2khp s ARG 13 N -2.03 3.04 -0.11 7.08 1.04 -1.26 -4.02 118.95 122.69 2khp s ARG 13 Ca -0.09 -0.88 -0.29 0.00 -1.04 0.00 0.00 55.73 53.42 2khp s ARG 13 Cb -0.03 -2.69 -0.04 0.00 -2.04 0.00 0.00 34.95 30.15 2khp s ARG 13 CO -0.01 0.46 1.53 -1.25 -0.04 0.00 0.00 175.30 175.99 2khp s PRO 14 N -3.47 4.14 0.00 3.89 0.04 -1.26 -2.65 135.00 135.69 2khp s PRO 14 Ca 0.32 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2khp s PRO 14 Cb -0.09 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2khp s PRO 14 CO 0.25 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2khp n GLY 15 N 4.06 0.77 3.58 0.56 0.00 -1.26 -5.07 105.19 107.83 2khp n GLY 15 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 8.60 -0.08 -0.19 0.00 0.13 -1.97 -2.25 132.00 136.23 2khp h PRO 17 Ca -0.24 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.92 2khp h PRO 17 Cb 1.09 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2khp h PRO 17 CO 0.95 0.37 0.13 1.88 -0.23 0.00 0.00 178.00 181.10 2khp h TYR 18 N -0.57 0.13 0.05 1.56 0.05 -2.01 -2.31 116.97 113.87 2khp h TYR 18 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2khp h TYR 18 Cb 0.49 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.19 2khp h TYR 18 CO 0.08 0.08 -0.02 0.00 -1.05 0.00 0.00 178.16 177.25 2khp h ALA 20 N 0.22 0.69 -0.48 0.00 0.00 -1.01 -1.16 119.26 117.51 2khp h ALA 20 Ca -0.01 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2khp h ALA 20 Cb 0.58 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2khp h ALA 20 CO 0.01 -0.31 0.12 0.00 0.00 0.00 0.00 179.25 179.07 2khp h ARG 21 N 0.24 0.26 -0.13 0.00 -0.00 -1.49 -0.68 114.38 112.58 2khp h ARG 21 Ca 0.31 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.78 2khp h ARG 21 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.37 2khp h ARG 21 CO -0.41 0.17 0.08 0.00 0.00 0.00 0.00 179.97 179.81 2khp h ALA 22 N 1.36 0.16 -0.30 0.04 0.00 -1.16 -0.78 119.26 118.57 2khp h ALA 22 Ca 0.24 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2khp h ALA 22 Cb 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2khp h ALA 22 CO -0.29 -0.36 0.02 0.87 0.00 0.00 0.00 179.25 179.49 2khp h LYS 23 N 0.16 0.11 -0.79 0.00 1.57 -0.70 -1.19 116.57 115.74 2khp h LYS 23 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2khp h LYS 23 Cb -0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2khp h LYS 23 CO -0.02 0.08 0.50 0.00 -0.57 0.00 0.00 179.45 179.44 2khp h ALA 24 N 1.25 1.01 0.16 3.86 0.00 -0.93 -1.12 119.26 123.48 2khp h ALA 24 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2khp h ALA 24 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2khp h ALA 24 CO -0.23 0.45 -0.14 1.25 0.00 0.00 0.00 179.25 180.58 2khp h LEU 25 N 1.08 -0.37 0.26 0.00 5.85 -0.46 0.25 115.31 121.92 2khp h LEU 25 Ca 0.29 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 2khp h LEU 25 Cb -0.08 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2khp h LEU 25 CO -0.06 -0.22 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.59 2khp h LEU 26 N -0.32 -0.41 -1.53 2.25 3.38 -1.05 -2.40 115.31 115.23 2khp h LEU 26 Ca -0.00 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2khp h LEU 26 Cb 0.30 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2khp h LEU 26 CO -0.03 -0.26 0.39 0.00 0.09 0.00 0.00 178.44 178.63 2khp h ALA 27 N 0.31 1.81 -0.91 1.53 0.00 -1.10 -1.50 119.26 119.40 2khp h ALA 27 Ca -0.02 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2khp h ALA 27 Cb 0.35 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2khp h ALA 27 CO 0.02 0.10 0.58 -0.09 0.00 0.00 0.00 179.25 179.86 2khp h ARG 28 N 0.58 0.85 0.00 0.00 2.43 0.03 0.24 114.38 118.51 2khp h ARG 28 Ca 0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2khp h ARG 28 Cb 0.26 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2khp h ARG 28 CO -0.07 0.56 0.00 0.87 -1.51 0.00 0.00 179.97 179.82 2khp h LYS 29 N 0.88 0.00 0.00 0.20 1.57 -1.13 -3.46 116.57 114.63 2khp h LYS 29 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2khp h LYS 29 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2khp h LYS 29 CO -0.19 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.10 2khp n GLY 30 N 0.30 0.92 3.55 3.86 0.00 0.84 -5.07 105.19 109.59 2khp n GLY 30 Ca 0.02 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 3.51 0.14 4.61 0.00 -1.19 -5.03 121.76 121.80 2khp s ALA 31 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 2khp s ALA 31 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 2khp s ALA 31 CO 0.00 -0.87 0.96 -1.21 0.00 0.00 0.00 175.76 174.64 2khp s GLU 32 N 1.85 4.73 0.02 0.00 2.02 -1.26 -4.11 118.70 121.94 2khp s GLU 32 Ca 0.09 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.54 2khp s GLU 32 Cb -0.17 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 2khp s GLU 32 CO 0.11 0.27 -0.03 -0.59 0.02 0.00 0.00 175.26 175.03 2khp s PHE 33 N -0.23 0.30 -0.26 1.61 -0.12 -1.26 -4.61 117.98 113.42 2khp s PHE 33 Ca 0.46 -0.53 -0.29 0.00 -0.05 0.00 0.00 56.93 56.52 2khp s PHE 33 Cb -0.24 -0.21 -0.00 0.00 -0.63 0.00 0.00 43.02 41.94 2khp s PHE 33 CO 0.30 -0.18 1.27 -0.80 -0.05 0.00 0.00 175.22 175.77 2khp s ASN 34 N -1.48 6.78 -0.37 1.98 -0.87 0.86 -4.90 114.94 116.94 2khp s ASN 34 Ca -0.15 1.36 -0.24 0.00 -1.57 0.00 0.00 52.86 52.25 2khp s ASN 34 Cb -0.10 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.60 2khp s ASN 34 CO -0.01 -0.96 0.85 -0.70 -2.57 0.00 0.00 177.10 173.71 2khp s GLU 35 N 3.91 3.77 0.09 -0.60 2.12 -1.26 -1.08 118.70 125.65 2khp s GLU 35 Ca 0.55 0.41 0.07 0.00 0.36 0.00 0.00 54.97 56.36 2khp s GLU 35 Cb -0.18 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.36 2khp s GLU 35 CO 0.20 -0.92 -0.17 0.42 -0.54 0.00 0.00 175.26 174.24 2khp s ILE 36 N 3.31 1.40 0.09 -3.70 1.01 -0.32 -5.00 121.20 117.99 2khp s ILE 36 Ca 0.35 -1.44 0.06 0.00 0.00 0.00 0.00 60.65 59.61 2khp s ILE 36 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2khp s ILE 36 CO 0.18 -0.16 -0.06 -1.81 0.00 0.00 0.00 174.94 173.09 2khp s ASP 37 N -1.87 4.62 -0.13 3.58 1.11 -1.26 -1.42 116.67 121.31 2khp s ASP 37 Ca 0.03 -0.30 0.11 0.00 0.18 0.00 0.00 52.55 52.56 2khp s ASP 37 Cb -0.10 -0.97 -0.16 0.00 1.07 0.00 0.00 42.92 42.76 2khp s ASP 37 CO 0.03 0.18 0.03 0.00 1.18 0.00 0.00 175.17 176.59 2khp n ALA 38 N 0.70 1.67 0.29 5.23 0.00 -1.26 -4.44 120.51 122.71 2khp n ALA 38 Ca -0.13 -0.86 0.19 0.00 0.00 0.00 0.00 53.44 52.64 2khp n ALA 38 Cb 0.52 -0.02 0.98 0.00 0.00 0.00 0.00 19.45 20.94 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 -0.92 0.00 4.64 -1.92 -1.99 113.55 113.36 2khp h SER 39 Ca -0.36 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2khp h SER 39 Cb 1.79 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.78 2khp h SER 39 CO 0.01 0.00 0.50 0.00 -0.87 0.00 0.00 176.83 176.47 2khp h ALA 40 N 1.78 1.46 -2.71 5.18 0.00 -1.97 -3.43 119.26 119.57 2khp h ALA 40 Ca 0.03 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2khp h ALA 40 Cb 0.30 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.88 2khp h ALA 40 CO -0.00 -0.11 -0.70 0.95 0.00 0.00 0.00 179.25 179.40 2khp s THR 41 N -5.91 0.20 0.14 0.00 -4.23 -0.75 -5.06 115.64 100.02 2khp s THR 41 Ca -0.12 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 2khp s THR 41 Cb 0.24 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 73.25 2khp s THR 41 CO 0.79 -0.68 1.46 1.55 -0.54 0.00 0.00 174.62 177.21 2khp h PRO 42 N 4.06 0.91 -0.17 3.99 0.13 -1.83 -2.08 132.00 137.01 2khp h PRO 42 Ca -0.33 -0.48 -0.10 0.00 -0.87 0.00 0.00 66.00 64.22 2khp h PRO 42 Cb 1.18 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2khp h PRO 42 CO 0.50 1.13 -0.32 0.93 -0.23 0.00 0.00 178.00 180.01 2khp h GLU 43 N 0.72 0.34 0.00 0.86 5.08 -1.97 0.20 114.58 119.81 2khp h GLU 43 Ca 0.06 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 2khp h GLU 43 Cb 0.97 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2khp h GLU 43 CO 0.09 0.63 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.93 2khp h LEU 44 N 0.30 0.00 0.06 1.33 3.38 -1.80 -3.01 115.31 115.58 2khp h LEU 44 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 2khp h LEU 44 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2khp h LEU 44 CO 0.05 0.74 -0.79 -0.09 0.09 0.00 0.00 178.44 178.44 2khp h ARG 45 N 0.00 0.13 -0.36 1.13 2.43 -1.09 -3.32 114.38 113.30 2khp h ARG 45 Ca -0.01 -0.23 0.07 0.00 -0.81 0.00 0.00 59.98 59.01 2khp h ARG 45 Cb 1.36 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.92 2khp h ARG 45 CO 0.10 1.11 -0.11 0.00 -1.51 0.00 0.00 179.97 179.56 2khp h ALA 46 N -0.08 0.21 -0.82 2.80 0.00 -0.70 0.43 119.26 121.10 2khp h ALA 46 Ca -0.18 0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.07 2khp h ALA 46 Cb 1.41 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 2khp h ALA 46 CO 0.01 -0.48 0.56 1.05 0.00 0.00 0.00 179.25 180.39 2khp h GLU 47 N -0.03 0.24 -0.16 0.00 4.11 -1.68 0.18 114.58 117.24 2khp h GLU 47 Ca 0.18 -0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.41 2khp h GLU 47 Cb 0.30 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2khp h GLU 47 CO -0.39 0.16 -0.64 0.52 0.07 0.00 0.00 179.01 178.73 2khp h MET 48 N 0.25 0.59 0.00 1.06 2.86 -1.04 -2.98 114.93 115.68 2khp h MET 48 Ca 0.41 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2khp h MET 48 Cb 1.21 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2khp h MET 48 CO -0.10 1.04 0.00 1.96 1.06 0.00 0.00 176.91 180.87 2khp h GLN 49 N 0.43 0.00 0.00 1.72 4.20 -0.04 -2.86 115.11 118.55 2khp h GLN 49 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2khp h GLN 49 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2khp h GLN 49 CO 0.12 0.00 0.00 1.49 -0.67 0.00 0.00 178.83 179.77 2khp h GLU 50 N 0.00 0.00 0.00 1.46 4.57 -0.85 0.43 114.58 120.19 2khp h GLU 50 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 2khp h GLU 50 Cb 0.71 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.26 2khp h GLU 50 CO 0.00 0.00 -1.97 0.54 -1.18 0.00 0.00 179.01 176.40 2khp n ARG 51 N -2.89 1.06 0.13 1.92 1.74 -1.16 -4.61 116.66 112.86 2khp n ARG 51 Ca 0.00 0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.92 2khp n ARG 51 Cb 0.26 -1.35 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 2khp n ARG 51 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2khp h SER 52 N 0.00 0.68 -3.55 0.55 0.87 -1.46 -3.48 113.55 107.16 2khp h SER 52 Ca -0.38 -0.75 -0.24 0.00 -1.23 0.00 0.00 61.79 59.19 2khp h SER 52 Cb 1.72 -0.22 0.07 0.00 -0.44 0.00 0.00 62.40 63.53 2khp h SER 52 CO -0.02 1.59 -0.39 0.61 -0.53 0.00 0.00 176.83 178.09 2khp n GLY 53 N 1.66 0.05 3.61 5.77 0.00 0.15 -5.01 105.19 111.42 2khp n GLY 53 Ca -0.15 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.61 1.94 0.00 1.61 0.52 -1.26 -5.09 118.95 111.06 2khp s ARG 54 Ca 0.30 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 2khp s ARG 54 Cb -0.13 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.85 2khp s ARG 54 CO 0.37 -0.84 0.72 -1.71 0.02 0.00 0.00 175.30 173.86 2khp n ASN 55 N -1.21 0.00 -3.64 0.23 4.05 -1.26 -4.80 115.26 108.63 2khp n ASN 55 Ca -0.02 0.72 -0.05 0.00 0.45 0.00 0.00 54.58 55.68 2khp n ASN 55 Cb 0.61 -0.22 -0.07 0.00 1.23 0.00 0.00 39.78 41.33 2khp n ASN 55 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2khp s THR 56 N -1.90 0.00 0.11 -0.44 2.01 -1.26 -4.91 115.64 109.26 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 0.21 0.72 -0.69 0.00 0.00 174.62 174.86 2khp s PHE 57 N 1.13 0.27 0.01 4.92 -0.71 -1.26 -5.12 117.98 117.22 2khp s PHE 57 Ca -0.06 -0.68 -0.30 0.00 -1.04 0.00 0.00 56.93 54.84 2khp s PHE 57 Cb -0.04 -0.09 -0.06 0.00 -1.21 0.00 0.00 43.02 41.62 2khp s PHE 57 CO -0.13 -0.59 1.44 -1.25 -1.34 0.00 0.00 175.22 173.34 2khp s PRO 58 N -3.90 4.27 -0.18 1.99 0.04 -1.26 -4.86 135.00 131.10 2khp s PRO 58 Ca 0.10 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.09 2khp s PRO 58 Cb 0.05 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2khp s PRO 58 CO -0.07 -0.60 0.04 -0.65 0.04 0.00 0.00 177.00 175.76 2khp s GLN 59 N 2.46 3.91 -0.37 4.56 1.11 -0.62 -3.04 119.66 127.67 2khp s GLN 59 Ca 0.65 -0.38 -0.00 0.00 0.01 0.00 0.00 55.36 55.64 2khp s GLN 59 Cb -0.33 -3.16 0.10 0.00 -1.01 0.00 0.00 33.01 28.61 2khp s GLN 59 CO 0.27 0.26 0.11 0.42 0.01 0.00 0.00 175.29 176.37 2khp s ILE 60 N 0.39 2.89 -0.38 1.08 1.09 0.60 -1.00 121.20 125.88 2khp s ILE 60 Ca 0.02 -2.03 -0.17 0.00 -1.10 0.00 0.00 60.65 57.37 2khp s ILE 60 Cb -0.13 -2.97 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 2khp s ILE 60 CO 0.01 -0.55 0.42 -0.36 -0.10 0.00 0.00 174.94 174.36 2khp s PHE 61 N 1.08 3.18 -0.32 3.97 0.08 0.85 -0.48 117.98 126.35 2khp s PHE 61 Ca 0.06 -0.13 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 2khp s PHE 61 Cb -0.21 -2.82 0.05 0.00 -0.57 0.00 0.00 43.02 39.47 2khp s PHE 61 CO -0.05 -0.57 0.06 0.42 -0.10 0.00 0.00 175.22 174.98 2khp s ILE 62 N 2.15 3.32 0.00 0.64 1.01 -0.32 -0.44 121.20 127.56 2khp s ILE 62 Ca 0.13 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.44 2khp s ILE 62 Cb -0.16 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2khp s ILE 62 CO 0.13 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.50 2khp n GLY 63 N 4.69 1.29 0.18 6.18 0.00 -0.72 -1.52 105.19 115.29 2khp n GLY 63 Ca -0.12 0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2khp n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2khp n SER 64 N 10.73 2.39 -4.33 1.61 2.88 -1.20 -4.92 113.62 120.78 2khp n SER 64 Ca 0.00 -2.42 -0.26 0.00 -1.33 0.00 0.00 58.87 54.86 2khp n SER 64 Cb 0.00 -0.21 -0.13 0.00 -0.75 0.00 0.00 64.21 63.13 2khp n SER 64 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2khp s VAL 65 N -1.73 1.94 -0.53 2.46 1.01 -0.58 -5.09 120.40 117.88 2khp s VAL 65 Ca 0.16 -1.66 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 2khp s VAL 65 Cb 0.13 -1.75 0.13 0.00 0.00 0.00 0.00 36.38 34.89 2khp s VAL 65 CO 0.04 -0.03 0.44 -2.28 0.00 0.00 0.00 175.10 173.27 2khp s HIS 66 N -1.20 3.38 0.00 5.22 2.46 -1.26 -1.18 115.29 122.71 2khp s HIS 66 Ca 0.10 -1.67 0.00 0.00 0.47 0.00 0.00 55.06 53.96 2khp s HIS 66 Cb -0.10 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 2khp s HIS 66 CO 0.05 -1.00 0.59 0.28 -2.47 0.00 0.00 174.74 172.19 2khp n VAL 67 N 4.95 0.00 0.00 0.89 0.31 0.37 -5.00 118.33 119.85 2khp n VAL 67 Ca -0.09 1.09 0.00 0.00 -0.01 0.00 0.00 64.34 65.33 2khp n VAL 67 Cb 0.41 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.70 -0.58 0.00 2.92 0.00 -1.23 -4.90 105.19 100.70 2khp n GLY 68 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 5.32 0.34 -0.02 0.00 -1.17 -0.29 105.19 109.36 2khp n GLY 69 Ca 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 0.34 0.05 -0.39 0.00 3.58 -1.95 -1.09 116.42 116.96 2khp h ASP 71 Ca 0.22 -0.58 -0.08 0.00 0.42 0.00 0.00 57.03 57.01 2khp h ASP 71 Cb 0.43 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2khp h ASP 71 CO -0.05 0.62 -0.05 0.44 -2.88 0.00 0.00 179.24 177.32 2khp h ASP 72 N -0.52 0.79 -0.26 2.28 5.19 -1.77 0.21 116.42 122.34 2khp h ASP 72 Ca 0.00 -0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.12 2khp h ASP 72 Cb 0.61 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2khp h ASP 72 CO 0.01 0.88 -0.13 0.25 -3.12 0.00 0.00 179.24 177.13 2khp h LEU 73 N 0.75 0.58 -0.56 1.55 5.85 -0.49 0.98 115.31 123.97 2khp h LEU 73 Ca 0.14 -0.41 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 2khp h LEU 73 Cb 0.52 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2khp h LEU 73 CO 0.03 0.86 -0.64 1.88 -0.34 0.00 0.00 178.44 180.23 2khp h TYR 74 N 0.29 0.42 -0.04 1.25 -1.99 -1.07 -0.10 116.97 115.73 2khp h TYR 74 Ca 0.06 -0.17 -0.19 0.00 2.00 0.00 0.00 58.73 60.43 2khp h TYR 74 Cb 0.65 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2khp h TYR 74 CO 0.06 0.87 -0.80 0.00 -0.00 0.00 0.00 178.16 178.29 2khp h ALA 75 N 1.09 0.56 0.00 3.88 0.00 -0.52 -2.93 119.26 121.34 2khp h ALA 75 Ca -0.01 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2khp h ALA 75 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2khp h ALA 75 CO 0.10 0.82 -0.02 -0.07 0.00 0.00 0.00 179.25 180.08 2khp h LEU 76 N 0.20 0.01 -2.05 0.00 -0.00 -0.75 -3.28 115.31 109.45 2khp h LEU 76 Ca -0.04 -0.92 0.12 0.00 -0.00 0.00 0.00 57.88 57.04 2khp h LEU 76 Cb 1.39 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.03 2khp h LEU 76 CO 0.13 0.93 0.34 1.05 -0.00 0.00 0.00 178.44 180.89 2khp h GLU 77 N -0.90 0.00 0.00 1.13 -0.00 -1.11 0.27 114.58 113.96 2khp h GLU 77 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 2khp h GLU 77 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.68 2khp h GLU 77 CO 0.00 0.00 -0.14 0.22 -0.00 0.00 0.00 179.01 179.10 2khp h ASP 78 N 0.00 0.00 0.12 3.06 1.82 -1.57 -2.49 116.42 117.36 2khp h ASP 78 Ca 0.19 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 2khp h ASP 78 Cb 0.86 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.87 2khp h ASP 78 CO -0.00 0.14 -1.90 -0.62 -1.61 0.00 0.00 179.24 175.24 2khp n GLU 79 N -3.76 0.65 -2.00 0.28 1.02 0.84 -4.99 120.64 112.69 2khp n GLU 79 Ca -0.02 -0.15 -0.02 0.00 -0.02 0.00 0.00 57.16 56.95 2khp n GLU 79 Cb 0.24 -1.56 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.28 0.29 0.08 0.62 0.00 -0.61 -4.94 105.19 101.91 2khp n GLY 80 Ca -0.05 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.27 0.62 -0.30 1.61 4.76 -1.23 -4.17 118.16 118.18 2khp n LYS 81 Ca -0.02 0.02 0.17 0.00 -2.87 0.00 0.00 58.31 55.60 2khp n LYS 81 Cb 0.50 -1.73 0.43 0.00 -1.84 0.00 0.00 35.03 32.39 2khp n LYS 81 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2khp h LEU 82 N 0.00 0.57 -0.98 -0.35 3.38 -1.93 0.11 115.31 116.12 2khp h LEU 82 Ca -0.00 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2khp h LEU 82 Cb 1.01 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 2khp h LEU 82 CO 0.00 0.21 0.61 -0.78 0.09 0.00 0.00 178.44 178.57 2khp h ASP 83 N 0.56 0.88 1.21 -0.43 3.58 -1.97 -0.25 116.42 120.01 2khp h ASP 83 Ca 0.52 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.87 2khp h ASP 83 Cb 1.08 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 2khp h ASP 83 CO -0.27 0.46 -0.80 0.28 -2.88 0.00 0.00 179.24 176.03 2khp h SER 84 N 0.95 0.00 -0.42 2.28 0.02 -1.09 -2.63 113.55 112.65 2khp h SER 84 Ca 0.49 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.32 2khp h SER 84 Cb 0.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2khp h SER 84 CO -0.27 0.75 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.93 2khp h LEU 85 N 0.00 0.92 0.00 5.07 -0.00 -0.05 0.24 115.31 121.49 2khp h LEU 85 Ca -0.02 -0.32 -0.09 0.00 -0.00 0.00 0.00 57.88 57.45 2khp h LEU 85 Cb 1.59 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.98 2khp h LEU 85 CO 0.09 1.07 -0.67 0.17 -0.00 0.00 0.00 178.44 179.11 2khp h LEU 86 N 0.80 0.00 0.08 1.67 8.10 -1.18 0.25 115.31 125.03 2khp h LEU 86 Ca 0.12 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.98 2khp h LEU 86 Cb 0.71 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.94 2khp h LEU 86 CO 0.05 0.39 -0.58 0.50 -4.11 0.00 0.00 178.44 174.69 2khp h LYS 87 N 0.00 0.17 0.05 0.17 3.11 -1.29 -3.32 116.57 115.46 2khp h LYS 87 Ca -0.04 -0.29 -0.31 0.00 -2.81 0.00 0.00 60.65 57.20 2khp h LYS 87 Cb 1.33 0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 32.63 2khp h LYS 87 CO 0.04 1.14 -1.74 1.79 -2.81 0.00 0.00 179.45 177.88 2khp h THR 88 N -0.63 0.85 0.00 1.00 1.35 -0.65 -3.38 112.91 111.46 2khp h THR 88 Ca -0.11 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 2khp h THR 88 Cb 1.40 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 2khp h THR 88 CO 0.07 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 2khp n GLY 89 N 1.68 0.50 3.57 5.82 0.00 0.88 -4.91 105.19 112.73 2khp n GLY 89 Ca -0.20 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.27 1.63 0.02 1.61 3.01 -1.22 -3.22 119.74 120.29 2khp s LYS 90 Ca 0.00 -1.35 -0.14 0.00 -1.01 0.00 0.00 55.97 53.47 2khp s LYS 90 Cb 0.00 0.47 -0.06 0.00 -1.01 0.00 0.00 37.83 37.23 2khp s LYS 90 CO 0.00 -0.68 0.42 -0.48 0.51 0.00 0.00 175.35 175.12 2khp s LEU 91 N -3.06 4.45 0.00 3.17 0.05 -1.26 -4.47 118.68 117.57 2khp s LEU 91 Ca 0.24 0.95 0.24 0.00 0.05 0.00 0.00 54.13 55.61 2khp s LEU 91 Cb -0.01 -2.68 0.23 0.00 -2.05 0.00 0.00 46.19 41.68 2khp s LEU 91 CO 0.11 0.29 1.28 -0.38 -0.55 0.00 0.00 176.35 177.10