#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 1.06 0.00 1.61 0.04 -1.26 -5.04 135.00 131.41 2khp s PRO 2 Ca 0.00 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2khp s PRO 2 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2khp s PRO 2 CO 0.00 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.09 2khp n GLY 3 N -1.11 -1.80 3.30 0.56 0.00 -1.26 -5.18 105.19 99.69 2khp n GLY 3 Ca 0.07 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 2khp n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2khp s SER 4 N -2.26 1.55 0.07 1.61 0.01 -1.26 -5.18 113.70 108.23 2khp s SER 4 Ca 0.00 -1.68 -0.02 0.00 1.31 0.00 0.00 55.95 55.55 2khp s SER 4 Cb 0.00 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 2khp s SER 4 CO 0.00 -1.00 0.02 -0.04 0.41 0.00 0.00 173.24 172.62 2khp s MET 5 N -3.61 0.68 0.24 12.44 -1.94 -1.26 -4.69 119.30 121.17 2khp s MET 5 Ca 0.38 -1.20 0.08 0.00 -1.71 0.00 0.00 55.69 53.24 2khp s MET 5 Cb 0.03 0.24 -0.05 0.00 2.01 0.00 0.00 34.83 37.06 2khp s MET 5 CO 0.23 -0.15 -0.12 0.14 -0.01 0.00 0.00 175.02 175.11 2khp s VAL 6 N -3.92 1.80 -0.05 -6.03 -7.23 -1.13 -5.01 120.40 98.83 2khp s VAL 6 Ca 0.08 -2.21 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 2khp s VAL 6 Cb 0.07 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2khp s VAL 6 CO -0.09 -0.46 1.07 1.51 -0.31 0.00 0.00 175.10 176.81 2khp s ASP 7 N -3.39 7.21 -0.21 4.85 1.47 -1.26 -4.79 116.67 120.56 2khp s ASP 7 Ca 0.26 1.69 0.02 0.00 1.18 0.00 0.00 52.55 55.69 2khp s ASP 7 Cb 0.00 -2.56 0.04 0.00 -0.34 0.00 0.00 42.92 40.06 2khp s ASP 7 CO 0.10 -0.43 -0.15 -0.69 0.68 0.00 0.00 175.17 174.67 2khp s VAL 8 N 1.69 2.03 -0.11 2.11 1.01 -1.26 -0.15 120.40 125.72 2khp s VAL 8 Ca 0.52 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2khp s VAL 8 Cb -0.22 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 2khp s VAL 8 CO 0.23 0.29 -0.16 -0.63 0.00 0.00 0.00 175.10 174.83 2khp s ILE 9 N 1.24 2.80 -0.05 2.22 1.01 0.04 -1.16 121.20 127.30 2khp s ILE 9 Ca -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2khp s ILE 9 Cb -0.16 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2khp s ILE 9 CO -0.10 0.54 -0.23 -0.51 0.00 0.00 0.00 174.94 174.64 2khp s ILE 10 N 0.22 2.23 -0.25 2.92 2.07 -0.45 -0.29 121.20 127.65 2khp s ILE 10 Ca -0.10 -1.01 -0.03 0.00 -1.41 0.00 0.00 60.65 58.09 2khp s ILE 10 Cb -0.16 -1.81 0.01 0.00 0.13 0.00 0.00 42.46 40.63 2khp s ILE 10 CO 0.06 0.57 -0.03 -0.31 -1.91 0.00 0.00 174.94 173.32 2khp s TYR 11 N -0.32 3.05 0.19 3.50 1.51 -0.06 -1.15 117.35 124.06 2khp s TYR 11 Ca 0.01 -1.30 -0.00 0.00 -1.01 0.00 0.00 57.07 54.77 2khp s TYR 11 Cb -0.13 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2khp s TYR 11 CO 0.02 -0.66 0.08 0.95 -1.11 0.00 0.00 175.55 174.84 2khp s THR 12 N 1.39 0.25 0.20 -0.71 -4.23 -0.51 -1.51 115.64 110.53 2khp s THR 12 Ca 0.02 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.66 2khp s THR 12 Cb -0.16 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 2khp s THR 12 CO -0.03 -0.20 -0.16 0.00 -0.54 0.00 0.00 174.62 173.69 2khp s ARG 13 N -4.07 1.82 -0.90 3.99 1.70 -1.26 -2.51 118.95 117.72 2khp s ARG 13 Ca 0.32 -1.44 -0.23 0.00 -0.47 0.00 0.00 55.73 53.92 2khp s ARG 13 Cb 0.07 -1.99 -0.14 0.00 -0.57 0.00 0.00 34.95 32.32 2khp s ARG 13 CO 0.08 0.40 1.91 -0.35 -1.08 0.00 0.00 175.30 176.27 2khp n PRO 14 N -0.01 1.48 0.00 3.89 -0.04 -1.26 -3.72 135.00 135.34 2khp n PRO 14 Ca -0.10 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2khp n PRO 14 Cb 0.56 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 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 5.02 -0.10 3.26 0.55 0.00 -1.26 -5.17 105.19 107.49 2khp n GLY 15 Ca 0.48 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 7.68 0.39 -0.93 0.00 0.13 -2.00 -2.96 132.00 134.30 2khp h PRO 17 Ca -0.26 -0.20 0.21 0.00 -0.87 0.00 0.00 66.00 64.88 2khp h PRO 17 Cb 1.14 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 2khp h PRO 17 CO 0.20 0.76 0.61 1.88 -0.23 0.00 0.00 178.00 181.23 2khp h TYR 18 N 0.03 0.56 0.04 1.56 0.05 -2.00 -1.28 116.97 115.92 2khp h TYR 18 Ca 0.03 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2khp h TYR 18 Cb 0.69 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2khp h TYR 18 CO 0.08 0.13 -0.02 0.00 -1.05 0.00 0.00 178.16 177.31 2khp h ALA 20 N 0.29 1.50 -0.11 0.00 0.00 -1.10 0.74 119.26 120.59 2khp h ALA 20 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2khp h ALA 20 Cb 0.55 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2khp h ALA 20 CO 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 2khp h ARG 21 N 0.56 0.19 -0.12 0.00 2.47 -1.38 -1.20 114.38 114.90 2khp h ARG 21 Ca 0.55 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 59.23 2khp h ARG 21 Cb 0.95 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.23 2khp h ARG 21 CO -0.45 0.47 -0.04 0.00 0.56 0.00 0.00 179.97 180.52 2khp h ALA 22 N 0.72 0.07 0.17 0.04 0.00 -0.77 0.20 119.26 119.68 2khp h ALA 22 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2khp h ALA 22 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2khp h ALA 22 CO 0.01 -0.49 -0.08 0.87 0.00 0.00 0.00 179.25 179.55 2khp h LYS 23 N -0.01 -0.22 -0.52 0.00 1.57 -0.92 -1.22 116.57 115.25 2khp h LYS 23 Ca 0.06 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 2khp h LYS 23 Cb 0.11 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2khp h LYS 23 CO -0.14 -0.15 0.35 0.00 -0.57 0.00 0.00 179.45 178.95 2khp h ALA 24 N 0.61 2.04 0.16 3.86 0.00 -1.02 0.28 119.26 125.17 2khp h ALA 24 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2khp h ALA 24 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2khp h ALA 24 CO 0.04 -0.15 -0.07 1.25 0.00 0.00 0.00 179.25 180.31 2khp h LEU 25 N 0.34 -0.18 -1.33 0.00 7.12 -0.39 -1.42 115.31 119.45 2khp h LEU 25 Ca 0.24 -0.33 -0.07 0.00 0.13 0.00 0.00 57.88 57.85 2khp h LEU 25 Cb 0.49 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 2khp h LEU 25 CO -0.06 0.27 -0.27 -0.07 -0.13 0.00 0.00 178.44 178.19 2khp h LEU 26 N -0.68 0.10 -0.72 2.25 3.38 -0.79 -2.35 115.31 116.50 2khp h LEU 26 Ca -0.02 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2khp h LEU 26 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2khp h LEU 26 CO 0.04 0.37 -0.49 0.00 0.09 0.00 0.00 178.44 178.44 2khp h ALA 27 N 1.64 0.90 0.20 1.53 0.00 -0.45 0.15 119.26 123.23 2khp h ALA 27 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2khp h ALA 27 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2khp h ALA 27 CO 0.04 0.62 -0.11 -0.09 0.00 0.00 0.00 179.25 179.71 2khp h ARG 28 N 0.00 -0.28 0.00 0.00 1.12 -0.68 -2.06 114.38 112.47 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 1.07 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 2khp h ARG 28 CO 0.06 -0.19 0.00 1.57 -3.11 0.00 0.00 179.97 178.31 2khp h LYS 29 N -0.29 0.00 0.00 0.20 2.10 -1.60 -3.46 116.57 113.52 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 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2khp h LYS 29 CO 0.03 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.89 2khp n GLY 30 N 0.21 0.90 3.63 0.07 0.00 -0.78 -5.05 105.19 104.18 2khp n GLY 30 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 3.22 0.14 4.61 0.00 0.50 -4.95 121.76 123.28 2khp s ALA 31 Ca 0.00 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 2khp s ALA 31 Cb 0.00 -3.89 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 2khp s ALA 31 CO 0.00 -2.05 0.68 -1.83 0.00 0.00 0.00 175.76 172.57 2khp s GLU 32 N 4.96 4.37 -0.01 0.00 -1.05 -1.26 -4.18 118.70 121.52 2khp s GLU 32 Ca 0.80 0.94 -0.19 0.00 -0.15 0.00 0.00 54.97 56.37 2khp s GLU 32 Cb -0.29 -3.18 0.03 0.00 -0.44 0.00 0.00 34.13 30.25 2khp s GLU 32 CO 0.32 0.57 0.40 -0.59 0.95 0.00 0.00 175.26 176.92 2khp s PHE 33 N -1.20 -0.29 -0.21 4.83 -0.12 -1.26 -4.64 117.98 115.08 2khp s PHE 33 Ca 0.34 0.43 -0.26 0.00 -0.05 0.00 0.00 56.93 57.40 2khp s PHE 33 Cb -0.21 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 2khp s PHE 33 CO 0.23 -0.47 0.88 1.21 -0.05 0.00 0.00 175.22 177.02 2khp s ASN 34 N -1.43 6.94 -0.21 1.98 2.47 -0.31 -4.91 114.94 119.48 2khp s ASN 34 Ca -0.11 1.17 -0.24 0.00 0.42 0.00 0.00 52.86 54.10 2khp s ASN 34 Cb -0.03 -2.47 -0.01 0.00 -1.45 0.00 0.00 41.25 37.29 2khp s ASN 34 CO 0.04 -0.51 0.78 -0.70 -3.72 0.00 0.00 177.10 172.99 2khp s GLU 35 N 2.65 4.23 0.05 0.43 -6.30 -1.26 -1.34 118.70 117.15 2khp s GLU 35 Ca 0.38 0.88 0.08 0.00 -2.50 0.00 0.00 54.97 53.81 2khp s GLU 35 Cb -0.16 -3.61 -0.03 0.00 0.00 0.00 0.00 34.13 30.34 2khp s GLU 35 CO 0.09 -0.38 -0.21 0.42 0.02 0.00 0.00 175.26 175.19 2khp s ILE 36 N 2.38 1.72 0.24 -3.70 1.01 -0.30 -5.00 121.20 117.54 2khp s ILE 36 Ca 0.34 -1.24 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 2khp s ILE 36 Cb -0.16 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.74 2khp s ILE 36 CO 0.10 0.21 0.62 -1.81 0.00 0.00 0.00 174.94 174.05 2khp s ASP 37 N -1.23 6.75 -0.07 3.58 1.01 -1.26 -1.42 116.67 124.04 2khp s ASP 37 Ca 0.08 1.10 0.00 0.00 0.71 0.00 0.00 52.55 54.45 2khp s ASP 37 Cb -0.09 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2khp s ASP 37 CO 0.02 -0.06 -0.06 0.00 0.21 0.00 0.00 175.17 175.28 2khp n ALA 38 N 0.10 1.87 0.29 5.23 0.00 -1.05 -4.58 120.51 122.37 2khp n ALA 38 Ca -0.00 -0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.27 2khp n ALA 38 Cb 0.52 0.34 0.55 0.00 0.00 0.00 0.00 19.45 20.87 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 -2.71 0.65 -0.30 0.00 2.88 -1.26 -2.77 113.62 110.10 2khp n SER 39 Ca -0.12 0.72 0.09 0.00 -1.33 0.00 0.00 58.87 58.23 2khp n SER 39 Cb 0.63 -0.83 0.25 0.00 -0.75 0.00 0.00 64.21 63.50 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 2.13 1.32 -2.31 -1.46 0.00 -1.94 -3.43 119.26 113.57 2khp h ALA 40 Ca 0.00 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 2khp h ALA 40 Cb 0.20 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 2khp h ALA 40 CO 0.00 -0.15 -0.70 0.95 0.00 0.00 0.00 179.25 179.35 2khp s THR 41 N -5.95 0.61 0.10 0.00 -4.23 -1.11 -5.07 115.64 99.99 2khp s THR 41 Ca -0.12 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 2khp s THR 41 Cb 0.23 -1.57 -0.08 0.00 1.34 0.00 0.00 72.50 72.41 2khp s THR 41 CO 0.78 -0.85 1.42 1.55 -0.54 0.00 0.00 174.62 176.98 2khp h PRO 42 N 3.12 0.69 0.11 3.99 0.13 -1.83 -2.71 132.00 135.50 2khp h PRO 42 Ca -0.35 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2khp h PRO 42 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2khp h PRO 42 CO 0.63 0.97 -0.05 1.49 -0.23 0.00 0.00 178.00 180.81 2khp h GLU 43 N 0.44 -0.14 -0.05 0.86 4.81 -1.97 0.26 114.58 118.77 2khp h GLU 43 Ca 0.05 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2khp h GLU 43 Cb 0.84 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 2khp h GLU 43 CO 0.07 -0.05 0.04 -0.07 -0.73 0.00 0.00 179.01 178.27 2khp h LEU 44 N -0.20 0.00 0.00 1.64 3.38 -1.81 -0.41 115.31 117.90 2khp h LEU 44 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2khp h LEU 44 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2khp h LEU 44 CO 0.02 0.00 -0.90 -0.09 0.09 0.00 0.00 178.44 177.56 2khp h ARG 45 N 0.00 0.00 -0.01 1.13 2.43 -1.08 -3.14 114.38 113.71 2khp h ARG 45 Ca 0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2khp h ARG 45 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2khp h ARG 45 CO -0.00 0.43 -0.13 0.00 -1.51 0.00 0.00 179.97 178.76 2khp h ALA 46 N 1.46 0.03 -0.63 2.80 0.00 0.11 -2.47 119.26 120.55 2khp h ALA 46 Ca -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2khp h ALA 46 Cb 1.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2khp h ALA 46 CO 0.06 -0.02 0.26 1.05 0.00 0.00 0.00 179.25 180.60 2khp h GLU 47 N -0.57 0.92 0.27 0.00 4.11 -1.36 0.25 114.58 118.20 2khp h GLU 47 Ca -0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 2khp h GLU 47 Cb 0.85 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2khp h GLU 47 CO 0.03 0.74 -0.13 0.52 0.07 0.00 0.00 179.01 180.24 2khp h MET 48 N 0.91 -0.35 0.00 1.06 2.86 -1.61 -2.87 114.93 114.92 2khp h MET 48 Ca 0.22 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2khp h MET 48 Cb 0.16 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2khp h MET 48 CO -0.02 -0.06 0.00 -0.56 1.06 0.00 0.00 176.91 177.33 2khp h GLN 49 N -0.64 0.00 0.00 1.72 3.07 -1.33 -2.52 115.11 115.41 2khp h GLN 49 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.65 2khp h GLN 49 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 2khp h GLN 49 CO 0.06 0.00 -0.24 1.49 0.09 0.00 0.00 178.83 180.23 2khp h GLU 50 N 0.00 0.00 0.09 0.06 4.57 -0.29 0.23 114.58 119.23 2khp h GLU 50 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 2khp h GLU 50 Cb 0.45 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 2khp h GLU 50 CO 0.00 0.24 -1.88 0.00 -1.18 0.00 0.00 179.01 176.19 2khp h ARG 51 N 0.00 0.18 0.17 1.92 3.08 -1.30 -3.37 114.38 115.06 2khp h ARG 51 Ca -0.00 -0.31 -0.30 0.00 0.07 0.00 0.00 59.98 59.44 2khp h ARG 51 Cb 0.79 0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.97 2khp h ARG 51 CO 0.03 0.97 -1.32 1.03 -1.07 0.00 0.00 179.97 179.61 2khp h SER 52 N 0.05 0.58 0.00 7.04 0.87 -1.49 -3.48 113.55 117.12 2khp h SER 52 Ca -0.37 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2khp h SER 52 Cb 2.03 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2khp h SER 52 CO 0.09 1.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.48 2khp n GLY 53 N 1.59 0.81 3.77 5.77 0.00 0.80 -5.03 105.19 112.90 2khp n GLY 53 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.27 2.18 0.00 1.61 0.52 -1.24 -5.04 118.95 116.70 2khp s ARG 54 Ca 0.00 -2.27 0.00 0.00 -0.52 0.00 0.00 55.73 52.94 2khp s ARG 54 Cb 0.00 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.80 2khp s ARG 54 CO 0.00 -0.35 0.74 0.09 0.02 0.00 0.00 175.30 175.81 2khp n ASN 55 N -1.31 0.00 -3.64 0.23 3.02 -1.26 -4.72 115.26 107.58 2khp n ASN 55 Ca -0.13 0.74 -0.08 0.00 -0.03 0.00 0.00 54.58 55.08 2khp n ASN 55 Cb 0.66 -0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.98 0.00 0.13 3.41 -4.23 -1.26 -4.72 115.64 106.99 2khp s THR 56 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 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 0.21 0.72 -0.54 0.00 0.00 174.62 175.01 2khp s PHE 57 N 1.23 0.38 -0.03 3.99 -0.71 -1.26 -5.13 117.98 116.44 2khp s PHE 57 Ca -0.07 -0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 54.75 2khp s PHE 57 Cb -0.05 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.59 2khp s PHE 57 CO -0.14 -0.63 1.48 -1.25 -1.34 0.00 0.00 175.22 173.34 2khp s PRO 58 N -3.94 4.24 -0.19 1.99 0.04 -1.26 -4.87 135.00 131.01 2khp s PRO 58 Ca 0.14 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2khp s PRO 58 Cb 0.04 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 2khp s PRO 58 CO -0.04 -0.68 0.16 -0.65 0.04 0.00 0.00 177.00 175.83 2khp s GLN 59 N 3.03 4.16 -0.34 4.56 1.11 -0.57 -3.47 119.66 128.14 2khp s GLN 59 Ca 0.66 -0.15 0.02 0.00 0.01 0.00 0.00 55.36 55.90 2khp s GLN 59 Cb -0.31 -3.41 0.09 0.00 -1.01 0.00 0.00 33.01 28.37 2khp s GLN 59 CO 0.26 0.32 0.06 0.42 0.01 0.00 0.00 175.29 176.35 2khp s ILE 60 N 0.30 2.50 -0.35 1.08 1.09 0.35 -0.88 121.20 125.29 2khp s ILE 60 Ca 0.10 -2.15 -0.15 0.00 -1.10 0.00 0.00 60.65 57.35 2khp s ILE 60 Cb -0.11 -2.75 -0.01 0.00 -1.06 0.00 0.00 42.46 38.53 2khp s ILE 60 CO -0.00 -0.52 0.36 -0.36 -0.10 0.00 0.00 174.94 174.32 2khp s PHE 61 N 0.99 3.21 -0.25 3.97 0.08 0.60 -0.25 117.98 126.33 2khp s PHE 61 Ca 0.07 -0.05 -0.04 0.00 0.12 0.00 0.00 56.93 57.03 2khp s PHE 61 Cb -0.20 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 2khp s PHE 61 CO -0.06 -0.44 -0.01 0.42 -0.10 0.00 0.00 175.22 175.02 2khp s ILE 62 N 2.01 3.39 0.00 0.64 1.01 0.01 -0.78 121.20 127.48 2khp s ILE 62 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2khp s ILE 62 Cb -0.17 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2khp s ILE 62 CO 0.12 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2khp n GLY 63 N 4.78 1.26 0.00 6.18 0.00 0.78 -1.59 105.19 116.60 2khp n GLY 63 Ca -0.17 0.27 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 10.54 1.96 -4.33 1.61 3.41 -0.67 -4.73 113.62 121.40 2khp n SER 64 Ca 0.00 -1.96 -0.25 0.00 -0.26 0.00 0.00 58.87 56.40 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 -0.96 1.93 -0.52 -3.33 1.01 -0.62 -5.07 120.40 112.84 2khp s VAL 65 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 2khp s VAL 65 Cb 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 36.38 34.71 2khp s VAL 65 CO 0.00 -0.09 0.46 -2.28 0.00 0.00 0.00 175.10 173.20 2khp s HIS 66 N -1.39 3.25 0.00 5.22 2.46 -1.26 -0.81 115.29 122.76 2khp s HIS 66 Ca 0.12 -1.21 0.00 0.00 0.47 0.00 0.00 55.06 54.44 2khp s HIS 66 Cb -0.09 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 2khp s HIS 66 CO 0.06 -0.96 0.64 0.28 -2.47 0.00 0.00 174.74 172.29 2khp n VAL 67 N 5.22 0.00 0.00 0.89 0.31 0.65 -4.97 118.33 120.43 2khp n VAL 67 Ca -0.13 1.14 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 2khp n VAL 67 Cb 0.41 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.74 -0.82 0.00 2.92 0.00 -1.19 -4.96 105.19 100.39 2khp n GLY 68 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 4.86 0.30 -0.02 0.00 -1.23 -0.49 105.19 108.60 2khp n GLY 69 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.90 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 0.53 -0.06 0.21 0.00 3.32 -1.95 0.26 116.42 118.74 2khp h ASP 71 Ca 0.45 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 2khp h ASP 71 Cb 0.68 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2khp h ASP 71 CO -0.39 -0.00 -0.10 0.44 -1.72 0.00 0.00 179.24 177.46 2khp h ASP 72 N 0.08 -0.24 -0.76 6.45 5.19 -1.61 0.98 116.42 126.50 2khp h ASP 72 Ca 0.10 -0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.47 2khp h ASP 72 Cb 0.12 0.06 -0.07 0.00 0.18 0.00 0.00 39.33 39.62 2khp h ASP 72 CO -0.16 -0.03 0.43 0.25 -3.12 0.00 0.00 179.24 176.61 2khp h LEU 73 N -0.46 0.62 -0.91 1.55 5.85 -0.79 0.17 115.31 121.34 2khp h LEU 73 Ca -0.03 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2khp h LEU 73 Cb 0.35 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2khp h LEU 73 CO 0.05 0.37 -0.49 1.88 -0.34 0.00 0.00 178.44 179.91 2khp h TYR 74 N 0.75 0.16 -0.01 1.25 -1.99 -0.36 -1.24 116.97 115.53 2khp h TYR 74 Ca 0.36 -0.05 -0.16 0.00 2.00 0.00 0.00 58.73 60.88 2khp h TYR 74 Cb 0.29 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2khp h TYR 74 CO -0.07 0.60 -0.75 0.00 -0.00 0.00 0.00 178.16 177.94 2khp h ALA 75 N 1.40 0.75 0.01 3.88 0.00 0.61 -2.94 119.26 122.96 2khp h ALA 75 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 2khp h ALA 75 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2khp h ALA 75 CO 0.07 0.89 -0.10 -0.07 0.00 0.00 0.00 179.25 180.04 2khp h LEU 76 N 0.04 0.07 -2.10 0.00 -0.00 -0.54 -3.25 115.31 109.53 2khp h LEU 76 Ca -0.01 -0.92 0.08 0.00 -0.00 0.00 0.00 57.88 57.02 2khp h LEU 76 Cb 1.32 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.94 2khp h LEU 76 CO 0.10 0.99 0.23 1.05 -0.00 0.00 0.00 178.44 180.81 2khp h GLU 77 N -0.84 0.00 0.00 1.13 -0.00 -1.32 0.27 114.58 113.83 2khp h GLU 77 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.27 2khp h GLU 77 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.75 2khp h GLU 77 CO 0.02 0.00 -0.33 0.22 -0.00 0.00 0.00 179.01 178.92 2khp h ASP 78 N 0.00 0.00 0.27 3.06 3.58 -1.57 -3.07 116.42 118.69 2khp h ASP 78 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2khp h ASP 78 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2khp h ASP 78 CO -0.00 0.33 -1.72 -0.62 -2.88 0.00 0.00 179.24 174.34 2khp n GLU 79 N -3.45 0.64 -2.26 0.28 1.02 0.68 -4.99 120.64 112.56 2khp n GLU 79 Ca 0.00 -0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.00 2khp n GLU 79 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 0.42 0.00 0.62 0.00 0.34 -4.95 105.19 102.87 2khp n GLY 80 Ca -0.03 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.23 0.86 -0.18 1.61 4.76 -1.18 -4.58 118.16 118.22 2khp n LYS 81 Ca -0.02 -0.09 -0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2khp n LYS 81 Cb 0.52 -1.26 0.09 0.00 -1.84 0.00 0.00 35.03 32.54 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 -0.13 -0.79 -0.35 5.85 -1.93 -0.40 115.31 117.56 2khp h LEU 82 Ca 0.00 0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.01 2khp h LEU 82 Cb 0.52 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 2khp h LEU 82 CO 0.00 -0.05 0.30 -0.78 -0.34 0.00 0.00 178.44 177.57 2khp h ASP 83 N 0.18 0.23 0.73 1.25 3.58 -1.94 0.38 116.42 120.84 2khp h ASP 83 Ca 0.29 0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.80 2khp h ASP 83 Cb 0.44 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2khp h ASP 83 CO -0.43 0.05 -0.31 0.28 -2.88 0.00 0.00 179.24 175.95 2khp h SER 84 N 0.40 0.00 0.27 2.28 0.02 -1.40 -2.86 113.55 112.26 2khp h SER 84 Ca 0.45 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.26 2khp h SER 84 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2khp h SER 84 CO -0.46 0.31 -0.55 -0.07 -1.14 0.00 0.00 176.83 174.92 2khp h LEU 85 N 0.00 0.34 -0.74 5.07 -0.00 0.78 0.16 115.31 120.91 2khp h LEU 85 Ca -0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 57.88 57.62 2khp h LEU 85 Cb 0.76 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 2khp h LEU 85 CO 0.04 0.82 -0.35 -0.07 -0.00 0.00 0.00 178.44 178.88 2khp h LEU 86 N 0.23 0.00 0.00 1.67 3.38 -1.04 0.45 115.31 120.00 2khp h LEU 86 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2khp h LEU 86 Cb 1.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 2khp h LEU 86 CO 0.09 0.35 -1.83 0.29 0.09 0.00 0.00 178.44 177.43 2khp n LYS 87 N -3.40 0.64 0.03 1.13 4.76 -1.11 -2.82 118.16 117.40 2khp n LYS 87 Ca 0.01 0.21 -0.22 0.00 -2.87 0.00 0.00 58.31 55.44 2khp n LYS 87 Cb 0.54 -1.73 -0.14 0.00 -1.84 0.00 0.00 35.03 31.86 2khp n LYS 87 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2khp h THR 88 N 0.00 0.75 0.00 -0.18 1.35 -0.66 -3.42 112.91 110.75 2khp h THR 88 Ca -0.33 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 2khp h THR 88 Cb 2.00 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 71.02 2khp h THR 88 CO 0.06 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 2khp n GLY 89 N 1.93 0.69 3.60 5.82 0.00 0.16 -4.98 105.19 112.41 2khp n GLY 89 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.33 0.39 -0.14 1.61 0.00 -1.24 -1.67 119.74 118.35 2khp s LYS 90 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 55.97 55.51 2khp s LYS 90 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 2khp s LYS 90 CO 0.00 -0.17 1.67 -0.51 0.00 0.00 0.00 175.35 176.34 2khp s LEU 91 N -2.44 4.08 0.00 2.77 1.43 -1.26 -4.78 118.68 118.48 2khp s LEU 91 Ca 0.11 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2khp s LEU 91 Cb 0.01 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2khp s LEU 91 CO -0.04 -1.13 0.31 2.30 0.23 0.00 0.00 176.35 178.01