#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khp h PRO 2 N 0.00 0.78 -6.79 1.61 0.13 -2.05 -3.45 132.00 122.23 2khp h PRO 2 Ca 0.00 -0.41 -0.44 0.00 -0.87 0.00 0.00 66.00 64.27 2khp h PRO 2 Cb 0.00 0.02 0.05 0.00 0.13 0.00 0.00 31.00 31.19 2khp h PRO 2 CO 0.00 1.04 -0.06 0.20 -0.23 0.00 0.00 178.00 178.95 2khp s GLY 3 N -3.94 1.83 -0.12 1.56 0.00 -1.26 -5.04 107.32 100.36 2khp s GLY 3 Ca -0.09 -1.52 0.16 0.00 0.00 0.00 0.00 44.72 43.26 2khp s GLY 3 CO 0.86 -1.20 1.18 1.44 0.00 0.00 0.00 173.10 175.38 2khp n SER 4 N -2.32 1.43 -3.57 1.64 7.64 -1.26 -5.05 113.62 112.13 2khp n SER 4 Ca 0.10 -3.08 -0.13 0.00 1.01 0.00 0.00 58.87 56.76 2khp n SER 4 Cb 0.60 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.93 0.76 -0.02 1.43 -2.45 -1.26 -4.95 119.30 110.89 2khp s MET 5 Ca 0.34 0.30 0.08 0.00 -1.25 0.00 0.00 55.69 55.15 2khp s MET 5 Cb 0.35 0.36 -0.02 0.00 1.25 0.00 0.00 34.83 36.77 2khp s MET 5 CO -0.09 -0.21 -0.25 0.14 1.05 0.00 0.00 175.02 175.66 2khp s VAL 6 N -0.88 1.95 0.11 10.11 -7.23 -1.25 -5.04 120.40 118.17 2khp s VAL 6 Ca -0.04 -1.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 2khp s VAL 6 Cb -0.01 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 2khp s VAL 6 CO 0.04 0.54 1.68 -0.62 -0.31 0.00 0.00 175.10 176.42 2khp s ASP 7 N -0.61 6.54 -0.23 4.85 2.15 -1.26 -4.74 116.67 123.37 2khp s ASP 7 Ca 0.10 2.61 -0.04 0.00 0.43 0.00 0.00 52.55 55.64 2khp s ASP 7 Cb -0.09 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2khp s ASP 7 CO -0.01 -0.91 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.38 2khp s VAL 8 N 2.21 3.50 -0.15 1.11 1.01 -1.26 -2.74 120.40 124.09 2khp s VAL 8 Ca 0.75 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2khp s VAL 8 Cb -0.43 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2khp s VAL 8 CO 0.33 0.37 -0.11 -0.63 0.00 0.00 0.00 175.10 175.06 2khp s ILE 9 N 1.49 3.15 -0.08 2.22 1.01 -0.21 -0.31 121.20 128.47 2khp s ILE 9 Ca 0.05 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2khp s ILE 9 Cb -0.15 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 2khp s ILE 9 CO -0.02 0.50 -0.15 -0.51 0.00 0.00 0.00 174.94 174.77 2khp s ILE 10 N 0.58 2.99 -0.28 2.92 2.07 0.00 -0.04 121.20 129.45 2khp s ILE 10 Ca -0.07 -0.72 -0.06 0.00 -1.41 0.00 0.00 60.65 58.39 2khp s ILE 10 Cb -0.15 -2.20 0.01 0.00 0.13 0.00 0.00 42.46 40.25 2khp s ILE 10 CO 0.03 0.57 0.04 -0.31 -1.91 0.00 0.00 174.94 173.36 2khp s TYR 11 N -0.29 3.12 0.05 3.50 1.51 0.84 -1.13 117.35 124.94 2khp s TYR 11 Ca 0.02 -1.06 0.02 0.00 -1.01 0.00 0.00 57.07 55.04 2khp s TYR 11 Cb -0.13 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 2khp s TYR 11 CO 0.03 -0.59 -0.07 0.95 -1.11 0.00 0.00 175.55 174.76 2khp s THR 12 N 1.47 0.48 0.16 -0.71 -4.23 -0.49 -0.64 115.64 111.68 2khp s THR 12 Ca 0.02 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 2khp s THR 12 Cb -0.17 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 2khp s THR 12 CO 0.01 -0.49 0.31 0.00 -0.54 0.00 0.00 174.62 173.91 2khp s ARG 13 N -1.97 3.46 -0.86 3.99 1.70 -1.26 -3.72 118.95 120.29 2khp s ARG 13 Ca -0.07 -0.54 -0.23 0.00 -0.47 0.00 0.00 55.73 54.42 2khp s ARG 13 Cb -0.07 -2.93 -0.15 0.00 -0.57 0.00 0.00 34.95 31.23 2khp s ARG 13 CO -0.01 0.49 1.91 -0.35 -1.08 0.00 0.00 175.30 176.26 2khp n PRO 14 N -0.61 1.47 0.00 3.89 -0.04 -1.26 -3.60 135.00 134.85 2khp n PRO 14 Ca -0.06 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 2khp n PRO 14 Cb 0.54 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 2khp n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2khp n GLY 15 N 4.93 0.03 2.94 0.55 0.00 -1.26 -5.16 105.19 107.21 2khp n GLY 15 Ca 0.48 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 7.72 0.47 -0.93 0.00 0.13 -2.00 -2.93 132.00 134.45 2khp h PRO 17 Ca -0.30 -0.25 0.20 0.00 -0.87 0.00 0.00 66.00 64.78 2khp h PRO 17 Cb 1.13 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2khp h PRO 17 CO 0.29 0.82 0.60 1.88 -0.23 0.00 0.00 178.00 181.36 2khp h TYR 18 N 0.14 0.68 -0.01 1.56 0.05 -1.98 -1.33 116.97 116.08 2khp h TYR 18 Ca 0.03 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 2khp h TYR 18 Cb 0.73 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2khp h TYR 18 CO 0.08 0.18 -0.02 0.00 -1.05 0.00 0.00 178.16 177.35 2khp h ALA 20 N 0.45 0.94 0.13 0.00 0.00 -1.08 0.81 119.26 120.51 2khp h ALA 20 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2khp h ALA 20 Cb 0.58 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2khp h ALA 20 CO 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 179.25 178.85 2khp h ARG 21 N 0.26 -0.16 0.19 0.00 3.08 -1.41 -0.99 114.38 115.35 2khp h ARG 21 Ca 0.41 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.49 2khp h ARG 21 Cb 0.71 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2khp h ARG 21 CO -0.51 -0.04 -0.29 0.00 -1.07 0.00 0.00 179.97 178.05 2khp h ALA 22 N 0.62 -0.54 -0.48 0.04 0.00 -1.01 -1.05 119.26 116.83 2khp h ALA 22 Ca -0.02 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2khp h ALA 22 Cb 0.20 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2khp h ALA 22 CO 0.03 -0.85 0.07 0.87 0.00 0.00 0.00 179.25 179.37 2khp h LYS 23 N -0.55 0.19 -0.76 0.00 1.57 -0.85 -1.14 116.57 115.03 2khp h LYS 23 Ca 0.01 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2khp h LYS 23 Cb 0.55 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 2khp h LYS 23 CO -0.13 0.13 0.43 0.00 -0.57 0.00 0.00 179.45 179.31 2khp h ALA 24 N 1.39 1.05 0.27 3.86 0.00 -0.81 0.50 119.26 125.52 2khp h ALA 24 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2khp h ALA 24 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2khp h ALA 24 CO -0.34 0.08 -0.13 1.25 0.00 0.00 0.00 179.25 180.12 2khp h LEU 25 N 0.75 -0.31 -1.95 0.00 6.46 -0.06 -1.45 115.31 118.76 2khp h LEU 25 Ca 0.35 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 2khp h LEU 25 Cb 0.28 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2khp h LEU 25 CO -0.22 -0.15 0.01 -0.07 -0.62 0.00 0.00 178.44 177.39 2khp h LEU 26 N -0.44 0.03 -0.76 2.25 3.38 -0.89 -0.66 115.31 118.21 2khp h LEU 26 Ca -0.04 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2khp h LEU 26 Cb 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2khp h LEU 26 CO 0.06 0.03 -0.41 0.00 0.09 0.00 0.00 178.44 178.21 2khp h ALA 27 N 1.97 0.92 0.18 1.53 0.00 -0.50 -1.00 119.26 122.37 2khp h ALA 27 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2khp h ALA 27 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2khp h ALA 27 CO -0.00 0.51 -0.09 -0.09 0.00 0.00 0.00 179.25 179.58 2khp h ARG 28 N 0.00 -0.23 0.00 0.00 1.12 -0.04 -2.69 114.38 112.54 2khp h ARG 28 Ca -0.00 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 2khp h ARG 28 Cb 1.00 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 2khp h ARG 28 CO 0.05 0.01 0.00 1.57 -3.11 0.00 0.00 179.97 178.49 2khp h LYS 29 N -0.46 0.00 0.00 0.20 2.10 -1.59 -3.46 116.57 113.37 2khp h LYS 29 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2khp h LYS 29 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2khp h LYS 29 CO 0.04 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.90 2khp n GLY 30 N -0.06 0.71 3.63 0.07 0.00 -1.02 -5.03 105.19 103.49 2khp n GLY 30 Ca 0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 3.42 0.32 4.61 0.00 -0.40 -5.01 121.76 122.70 2khp s ALA 31 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2khp s ALA 31 Cb 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 2khp s ALA 31 CO 0.00 -1.63 1.08 -1.83 0.00 0.00 0.00 175.76 173.38 2khp s GLU 32 N 3.74 4.50 -0.09 0.00 -1.05 -1.26 -4.50 118.70 120.04 2khp s GLU 32 Ca 0.44 1.71 -0.16 0.00 -0.15 0.00 0.00 54.97 56.81 2khp s GLU 32 Cb -0.11 -2.99 0.04 0.00 -0.44 0.00 0.00 34.13 30.62 2khp s GLU 32 CO 0.19 0.11 0.41 -0.59 0.95 0.00 0.00 175.26 176.32 2khp s PHE 33 N -1.31 -0.38 -0.23 4.83 -0.12 -1.26 -4.59 117.98 114.92 2khp s PHE 33 Ca 0.48 0.82 -0.27 0.00 -0.05 0.00 0.00 56.93 57.91 2khp s PHE 33 Cb -0.29 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 2khp s PHE 33 CO 0.37 -0.32 0.93 1.21 -0.05 0.00 0.00 175.22 177.36 2khp s ASN 34 N -0.49 6.98 -0.19 1.98 2.47 0.57 -4.89 114.94 121.38 2khp s ASN 34 Ca -0.06 1.22 -0.24 0.00 0.42 0.00 0.00 52.86 54.20 2khp s ASN 34 Cb -0.03 -2.49 -0.02 0.00 -1.45 0.00 0.00 41.25 37.26 2khp s ASN 34 CO 0.03 -0.58 0.78 -0.70 -3.72 0.00 0.00 177.10 172.92 2khp s GLU 35 N 2.92 4.26 0.04 0.43 2.56 -1.26 -0.82 118.70 126.84 2khp s GLU 35 Ca 0.40 0.91 0.04 0.00 0.00 0.00 0.00 54.97 56.32 2khp s GLU 35 Cb -0.15 -3.58 -0.02 0.00 2.00 0.00 0.00 34.13 32.37 2khp s GLU 35 CO 0.07 -0.33 -0.12 0.42 -0.56 0.00 0.00 175.26 174.74 2khp s ILE 36 N 2.18 0.92 0.18 -3.70 1.01 -0.28 -4.98 121.20 116.53 2khp s ILE 36 Ca 0.36 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 2khp s ILE 36 Cb -0.16 -0.86 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 2khp s ILE 36 CO 0.11 -0.09 0.50 -1.81 0.00 0.00 0.00 174.94 173.65 2khp s ASP 37 N -1.20 6.64 -0.08 3.58 1.11 -1.26 -1.40 116.67 124.06 2khp s ASP 37 Ca -0.01 0.87 0.00 0.00 0.18 0.00 0.00 52.55 53.59 2khp s ASP 37 Cb -0.08 -2.21 -0.05 0.00 1.07 0.00 0.00 42.92 41.65 2khp s ASP 37 CO 0.01 0.01 -0.07 0.00 1.18 0.00 0.00 175.17 176.30 2khp n ALA 38 N 0.18 1.86 0.44 5.23 0.00 -1.24 -4.57 120.51 122.41 2khp n ALA 38 Ca -0.02 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.17 2khp n ALA 38 Cb 0.52 0.32 0.40 0.00 0.00 0.00 0.00 19.45 20.69 2khp n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2khp n SER 39 N -2.77 0.35 -0.29 0.00 2.88 -1.26 -2.57 113.62 109.96 2khp n SER 39 Ca -0.14 0.59 0.07 0.00 -1.33 0.00 0.00 58.87 58.06 2khp n SER 39 Cb 0.65 -0.66 0.22 0.00 -0.75 0.00 0.00 64.21 63.67 2khp n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2khp h ALA 40 N 2.37 1.24 -2.35 -1.46 0.00 -1.95 -3.43 119.26 113.68 2khp h ALA 40 Ca 0.00 0.10 -0.47 0.00 0.00 0.00 0.00 54.91 54.54 2khp h ALA 40 Cb 0.30 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.97 2khp h ALA 40 CO 0.00 -0.14 -0.74 0.95 0.00 0.00 0.00 179.25 179.31 2khp s THR 41 N -5.97 1.80 0.10 0.00 -4.23 -1.19 -5.06 115.64 101.09 2khp s THR 41 Ca -0.12 -2.17 -0.15 0.00 -1.18 0.00 0.00 61.69 58.07 2khp s THR 41 Cb 0.22 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.95 2khp s THR 41 CO 0.78 -0.53 1.42 1.55 -0.54 0.00 0.00 174.62 177.30 2khp h PRO 42 N 2.67 0.68 0.01 3.99 0.13 -1.84 -2.26 132.00 135.38 2khp h PRO 42 Ca -0.39 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2khp h PRO 42 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2khp h PRO 42 CO 0.60 0.96 -0.00 0.93 -0.23 0.00 0.00 178.00 180.26 2khp h GLU 43 N 0.42 -0.01 0.00 0.86 4.39 -1.97 0.34 114.58 118.60 2khp h GLU 43 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2khp h GLU 43 Cb 0.83 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2khp h GLU 43 CO 0.07 0.29 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.09 2khp h LEU 44 N -0.31 0.00 0.03 1.33 3.38 -1.80 -1.62 115.31 116.32 2khp h LEU 44 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2khp h LEU 44 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2khp h LEU 44 CO 0.00 0.05 -1.36 -0.09 0.09 0.00 0.00 178.44 177.13 2khp h ARG 45 N 0.00 0.06 0.38 1.13 2.43 -1.13 -2.88 114.38 114.37 2khp h ARG 45 Ca -0.00 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2khp h ARG 45 Cb 0.12 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2khp h ARG 45 CO 0.01 0.85 -0.18 0.00 -1.51 0.00 0.00 179.97 179.14 2khp h ALA 46 N 0.88 -0.51 -0.15 2.80 0.00 0.02 0.19 119.26 122.50 2khp h ALA 46 Ca -0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2khp h ALA 46 Cb 1.91 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 2khp h ALA 46 CO 0.12 -0.64 -0.26 1.05 0.00 0.00 0.00 179.25 179.52 2khp h GLU 47 N -0.80 0.27 -0.14 0.00 4.11 -1.60 0.25 114.58 116.66 2khp h GLU 47 Ca -0.05 -0.09 -0.09 0.00 0.07 0.00 0.00 59.36 59.20 2khp h GLU 47 Cb 0.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2khp h GLU 47 CO 0.09 0.52 -0.25 1.98 0.07 0.00 0.00 179.01 181.41 2khp h MET 48 N 0.24 0.41 0.00 1.06 4.05 -1.47 -2.59 114.93 116.63 2khp h MET 48 Ca 0.04 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2khp h MET 48 Cb 0.60 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 2khp h MET 48 CO 0.04 0.85 0.00 -0.56 0.23 0.00 0.00 176.91 177.48 2khp h GLN 49 N 0.02 0.00 -0.06 0.39 3.07 -0.49 -3.25 115.11 114.78 2khp h GLN 49 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.64 2khp h GLN 49 Cb 0.83 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.40 2khp h GLN 49 CO 0.06 0.00 -0.38 1.49 0.09 0.00 0.00 178.83 180.09 2khp h GLU 50 N 0.00 0.37 -0.83 0.06 4.57 -0.46 0.37 114.58 118.66 2khp h GLU 50 Ca 0.00 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2khp h GLU 50 Cb 0.86 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 2khp h GLU 50 CO 0.00 0.96 0.55 0.00 -1.18 0.00 0.00 179.01 179.34 2khp h ARG 51 N -0.13 1.08 0.14 1.92 3.08 -1.51 -2.77 114.38 116.18 2khp h ARG 51 Ca -0.03 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.64 2khp h ARG 51 Cb 1.04 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2khp h ARG 51 CO 0.08 0.71 -1.57 1.03 -1.07 0.00 0.00 179.97 179.15 2khp h SER 52 N 1.11 0.45 0.00 7.04 0.87 -1.59 -3.48 113.55 117.94 2khp h SER 52 Ca 0.31 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2khp h SER 52 Cb -0.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2khp h SER 52 CO -0.07 1.52 0.00 0.61 -0.53 0.00 0.00 176.83 178.35 2khp n GLY 53 N 1.70 0.47 3.30 5.77 0.00 0.13 -5.04 105.19 111.51 2khp n GLY 53 Ca -0.18 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.65 1.66 0.00 1.61 0.52 -1.11 -5.04 118.95 113.95 2khp s ARG 54 Ca 0.00 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 2khp s ARG 54 Cb 0.00 0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.80 2khp s ARG 54 CO 0.00 -0.62 0.73 0.09 0.02 0.00 0.00 175.30 175.52 2khp n ASN 55 N -1.24 0.00 -3.64 0.23 3.02 -1.26 -4.70 115.26 107.67 2khp n ASN 55 Ca 0.05 0.73 -0.09 0.00 -0.03 0.00 0.00 54.58 55.24 2khp n ASN 55 Cb 0.63 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.50 2khp n ASN 55 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2khp s THR 56 N -1.92 0.00 0.11 3.41 -4.23 -1.26 -4.73 115.64 107.03 2khp s THR 56 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 2khp s THR 56 Cb 0.00 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 2khp s THR 56 CO 0.00 0.00 0.19 0.72 -0.54 0.00 0.00 174.62 174.99 2khp s PHE 57 N 1.17 0.34 -0.04 3.99 -0.71 -1.26 -5.07 117.98 116.39 2khp s PHE 57 Ca -0.06 -0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 54.77 2khp s PHE 57 Cb -0.05 -0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.58 2khp s PHE 57 CO -0.13 -0.58 1.48 -1.25 -1.34 0.00 0.00 175.22 173.40 2khp s PRO 58 N -3.92 4.23 -0.18 1.99 0.04 -1.26 -4.79 135.00 131.12 2khp s PRO 58 Ca 0.11 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 2khp s PRO 58 Cb 0.05 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 2khp s PRO 58 CO -0.06 -0.70 0.07 -0.65 0.04 0.00 0.00 177.00 175.70 2khp s GLN 59 N 3.13 3.95 -0.39 4.56 1.11 0.19 -3.20 119.66 129.01 2khp s GLN 59 Ca 0.66 -0.32 -0.02 0.00 0.01 0.00 0.00 55.36 55.69 2khp s GLN 59 Cb -0.31 -3.22 0.10 0.00 -1.01 0.00 0.00 33.01 28.57 2khp s GLN 59 CO 0.26 0.31 0.17 0.42 0.01 0.00 0.00 175.29 176.46 2khp s ILE 60 N 0.26 3.17 -0.38 1.08 1.09 0.62 -0.11 121.20 126.93 2khp s ILE 60 Ca 0.04 -2.00 -0.18 0.00 -1.10 0.00 0.00 60.65 57.42 2khp s ILE 60 Cb -0.12 -3.14 0.01 0.00 -1.06 0.00 0.00 42.46 38.14 2khp s ILE 60 CO 0.00 -0.61 0.49 -0.36 -0.10 0.00 0.00 174.94 174.35 2khp s PHE 61 N 1.13 3.16 -0.31 3.97 0.08 0.95 -0.69 117.98 126.28 2khp s PHE 61 Ca 0.07 -0.04 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 2khp s PHE 61 Cb -0.22 -2.94 0.05 0.00 -0.57 0.00 0.00 43.02 39.34 2khp s PHE 61 CO -0.04 -0.62 0.02 0.42 -0.10 0.00 0.00 175.22 174.90 2khp s ILE 62 N 2.33 3.16 0.00 0.64 1.01 -0.49 -1.04 121.20 126.81 2khp s ILE 62 Ca 0.16 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.48 2khp s ILE 62 Cb -0.16 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2khp s ILE 62 CO 0.14 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2khp n GLY 63 N 4.66 1.23 0.04 6.18 0.00 -1.11 -1.55 105.19 114.64 2khp n GLY 63 Ca -0.13 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 10.42 2.15 -4.33 1.61 2.88 -1.22 -4.93 113.62 120.20 2khp n SER 64 Ca 0.00 -2.51 -0.25 0.00 -1.33 0.00 0.00 58.87 54.77 2khp n SER 64 Cb 0.00 -0.20 -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 -1.88 1.91 -0.54 2.46 1.01 -0.60 -5.10 120.40 117.66 2khp s VAL 65 Ca 0.15 -1.65 -0.13 0.00 0.00 0.00 0.00 61.98 60.35 2khp s VAL 65 Cb 0.13 -1.73 0.13 0.00 0.00 0.00 0.00 36.38 34.92 2khp s VAL 65 CO 0.01 -0.03 0.46 -2.28 0.00 0.00 0.00 175.10 173.26 2khp s HIS 66 N -1.21 3.36 0.00 5.22 2.46 -1.26 -1.40 115.29 122.46 2khp s HIS 66 Ca 0.10 -1.59 0.00 0.00 0.47 0.00 0.00 55.06 54.04 2khp s HIS 66 Cb -0.10 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 2khp s HIS 66 CO 0.05 -1.01 0.55 0.28 -2.47 0.00 0.00 174.74 172.15 2khp n VAL 67 N 4.99 0.00 0.00 0.89 0.31 0.13 -5.00 118.33 119.66 2khp n VAL 67 Ca -0.09 1.05 0.00 0.00 -0.01 0.00 0.00 64.34 65.29 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 -0.65 -0.62 0.00 2.92 0.00 -1.23 -4.94 105.19 100.67 2khp n GLY 68 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 5.38 0.28 -0.02 0.00 -1.19 -0.28 105.19 109.36 2khp n GLY 69 Ca 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 0.41 0.04 0.24 0.00 3.32 -1.95 0.25 116.42 118.72 2khp h ASP 71 Ca 0.42 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 2khp h ASP 71 Cb 0.66 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2khp h ASP 71 CO -0.43 0.05 -0.12 0.44 -1.72 0.00 0.00 179.24 177.47 2khp h ASP 72 N 0.17 -0.27 -0.97 6.45 5.19 -1.57 0.81 116.42 126.21 2khp h ASP 72 Ca 0.12 -0.14 0.10 0.00 -0.62 0.00 0.00 57.03 56.49 2khp h ASP 72 Cb 0.11 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.62 2khp h ASP 72 CO -0.15 -0.02 0.61 0.25 -3.12 0.00 0.00 179.24 176.81 2khp h LEU 73 N -0.53 0.93 -0.64 1.55 6.46 -0.64 0.28 115.31 122.72 2khp h LEU 73 Ca -0.03 0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 2khp h LEU 73 Cb 0.39 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2khp h LEU 73 CO 0.05 0.54 -0.59 1.88 -0.62 0.00 0.00 178.44 179.70 2khp h TYR 74 N 1.03 0.37 -0.00 1.25 -1.99 -0.39 -1.11 116.97 116.13 2khp h TYR 74 Ca 0.46 -0.14 -0.16 0.00 2.00 0.00 0.00 58.73 60.89 2khp h TYR 74 Cb 0.35 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 2khp h TYR 74 CO -0.01 0.81 -0.76 0.00 -0.00 0.00 0.00 178.16 178.20 2khp h ALA 75 N 1.16 0.73 0.00 3.88 0.00 0.57 -2.98 119.26 122.62 2khp h ALA 75 Ca -0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2khp h ALA 75 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2khp h ALA 75 CO 0.09 0.91 -0.00 -0.07 0.00 0.00 0.00 179.25 180.18 2khp h LEU 76 N 0.03 -0.00 -2.02 0.00 -0.00 -0.41 -3.28 115.31 109.63 2khp h LEU 76 Ca -0.01 -0.92 0.13 0.00 -0.00 0.00 0.00 57.88 57.08 2khp h LEU 76 Cb 1.33 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 2khp h LEU 76 CO 0.10 0.92 0.34 1.05 -0.00 0.00 0.00 178.44 180.86 2khp h GLU 77 N -0.92 0.00 0.00 1.13 -0.00 -1.29 0.30 114.58 113.79 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 0.92 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.67 2khp h GLU 77 CO 0.00 0.00 -0.14 0.22 -0.00 0.00 0.00 179.01 179.09 2khp h ASP 78 N 0.00 0.00 0.00 3.06 1.82 -1.58 -2.63 116.42 117.09 2khp h ASP 78 Ca 0.22 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.84 2khp h ASP 78 Cb 0.90 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.91 2khp h ASP 78 CO -0.00 0.14 -1.97 -0.62 -1.61 0.00 0.00 179.24 175.18 2khp n GLU 79 N -3.68 0.64 -1.99 0.28 1.02 0.86 -5.00 120.64 112.76 2khp n GLU 79 Ca -0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2khp n GLU 79 Cb 0.26 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.35 0.58 0.02 0.62 0.00 -0.12 -4.96 105.19 102.68 2khp n GLY 80 Ca -0.05 -0.79 0.09 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 -0.88 0.66 -0.26 1.61 4.76 -1.19 -4.39 118.16 118.47 2khp n LYS 81 Ca 0.00 -0.17 0.05 0.00 -2.87 0.00 0.00 58.31 55.32 2khp n LYS 81 Cb 0.47 -1.54 0.19 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.32 -1.47 -0.35 5.85 -1.93 0.19 115.31 117.91 2khp h LEU 82 Ca -0.05 0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.92 2khp h LEU 82 Cb 1.11 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2khp h LEU 82 CO 0.00 0.13 0.52 -0.78 -0.34 0.00 0.00 178.44 177.97 2khp h ASP 83 N 0.47 0.50 0.19 1.25 3.58 -1.95 -0.13 116.42 120.33 2khp h ASP 83 Ca 0.41 0.03 -0.28 0.00 0.42 0.00 0.00 57.03 57.61 2khp h ASP 83 Cb 0.61 -0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.61 2khp h ASP 83 CO -0.39 0.26 -1.30 0.28 -2.88 0.00 0.00 179.24 175.21 2khp h SER 84 N 0.53 0.64 -0.72 2.28 0.02 -1.02 -2.74 113.55 112.55 2khp h SER 84 Ca 0.39 -0.93 0.05 0.00 -0.84 0.00 0.00 61.79 60.46 2khp h SER 84 Cb 0.76 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 2khp h SER 84 CO -0.14 1.61 0.47 -0.07 -1.14 0.00 0.00 176.83 177.56 2khp h LEU 85 N -0.08 0.70 0.00 5.07 3.38 -0.04 0.23 115.31 124.56 2khp h LEU 85 Ca -0.24 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2khp h LEU 85 Cb 1.94 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2khp h LEU 85 CO 0.20 0.46 -0.42 0.17 0.09 0.00 0.00 178.44 178.94 2khp h LEU 86 N 0.80 0.00 0.00 1.67 8.10 -1.15 0.28 115.31 125.02 2khp h LEU 86 Ca 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.28 2khp h LEU 86 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 2khp h LEU 86 CO -0.09 0.20 -0.01 0.11 -4.11 0.00 0.00 178.44 174.54 2khp h LYS 87 N 0.00 0.01 0.02 0.17 1.57 -0.81 -3.33 116.57 114.18 2khp h LYS 87 Ca -0.01 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 2khp h LYS 87 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 2khp h LYS 87 CO 0.02 0.98 -1.66 0.00 -0.57 0.00 0.00 179.45 178.22 2khp h THR 88 N -0.96 0.92 0.00 -0.16 1.03 -0.75 -3.37 112.91 109.62 2khp h THR 88 Ca -0.00 -2.74 0.00 0.00 -0.01 0.00 0.00 66.41 63.66 2khp h THR 88 Cb 0.99 2.48 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 2khp h THR 88 CO 0.00 0.58 0.00 0.61 -0.01 0.00 0.00 175.52 176.70 2khp n GLY 89 N 1.58 1.24 3.42 2.99 0.00 0.99 -4.84 105.19 110.57 2khp n GLY 89 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2khp n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2khp s LYS 90 N -0.43 1.88 0.27 1.61 0.00 -1.24 -3.42 119.74 118.41 2khp s LYS 90 Ca 0.00 -2.13 -0.31 0.00 0.00 0.00 0.00 55.97 53.53 2khp s LYS 90 Cb 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 37.83 37.52 2khp s LYS 90 CO 0.00 -0.58 1.58 1.28 0.00 0.00 0.00 175.35 177.63 2khp n LEU 91 N -0.81 4.02 0.00 2.77 7.99 -1.26 -4.50 117.00 125.21 2khp n LEU 91 Ca -0.00 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.13 2khp n LEU 91 Cb 0.64 -1.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.39 2khp n LEU 91 CO 0.33 0.01 0.17 2.30 -1.51 0.00 0.00 177.39 178.70