#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 3.25 -0.48 1.61 0.04 -1.26 -5.02 135.00 133.14 2khp s PRO 2 Ca 0.00 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.67 2khp s PRO 2 Cb 0.00 -1.99 0.27 0.00 0.04 0.00 0.00 34.50 32.81 2khp s PRO 2 CO 0.00 -0.93 0.95 0.41 0.04 0.00 0.00 177.00 177.48 2khp n GLY 3 N 0.02 0.28 3.85 0.56 0.00 -1.26 -5.15 105.19 103.50 2khp n GLY 3 Ca 0.11 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2khp n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2khp s SER 4 N -1.56 6.59 -0.11 1.61 0.15 -1.26 -5.08 113.70 114.04 2khp s SER 4 Ca 0.29 1.47 -0.22 0.00 0.70 0.00 0.00 55.95 58.19 2khp s SER 4 Cb 0.25 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 62.14 2khp s SER 4 CO -0.18 -0.55 0.54 -0.32 1.20 0.00 0.00 173.24 173.92 2khp s MET 5 N -4.05 0.79 0.10 5.44 1.75 -1.26 -4.76 119.30 117.31 2khp s MET 5 Ca 0.57 0.37 0.09 0.00 -1.25 0.00 0.00 55.69 55.47 2khp s MET 5 Cb -0.10 0.37 -0.04 0.00 2.84 0.00 0.00 34.83 37.90 2khp s MET 5 CO 0.32 -0.19 -0.20 0.14 -0.65 0.00 0.00 175.02 174.44 2khp s VAL 6 N -0.59 2.71 -0.08 10.11 -7.23 -1.24 -5.06 120.40 119.02 2khp s VAL 6 Ca -0.07 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 2khp s VAL 6 Cb -0.03 -2.21 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 2khp s VAL 6 CO 0.05 0.16 2.00 -1.81 -0.31 0.00 0.00 175.10 175.18 2khp s ASP 7 N -1.94 6.13 -0.12 4.85 1.01 -1.26 -4.71 116.67 120.62 2khp s ASP 7 Ca 0.16 2.29 -0.04 0.00 0.71 0.00 0.00 52.55 55.68 2khp s ASP 7 Cb -0.10 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2khp s ASP 7 CO 0.08 -1.36 0.02 -0.69 0.21 0.00 0.00 175.17 173.43 2khp s VAL 8 N 5.76 4.46 -0.00 -1.27 1.01 -1.26 -3.22 120.40 125.87 2khp s VAL 8 Ca 0.90 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.74 2khp s VAL 8 Cb -0.37 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2khp s VAL 8 CO 0.38 0.55 -0.13 -0.63 0.00 0.00 0.00 175.10 175.27 2khp s ILE 9 N -0.38 1.05 -0.02 2.22 1.01 -0.50 -1.11 121.20 123.47 2khp s ILE 9 Ca 0.08 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2khp s ILE 9 Cb -0.12 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2khp s ILE 9 CO 0.02 0.24 -0.10 -0.51 0.00 0.00 0.00 174.94 174.59 2khp s ILE 10 N -0.41 0.84 -0.26 2.92 2.07 -0.37 -0.62 121.20 125.38 2khp s ILE 10 Ca 0.04 -0.41 -0.02 0.00 -1.41 0.00 0.00 60.65 58.86 2khp s ILE 10 Cb -0.06 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.83 2khp s ILE 10 CO -0.00 0.26 -0.04 -0.31 -1.91 0.00 0.00 174.94 172.93 2khp s TYR 11 N 0.09 3.10 0.24 3.50 1.51 -0.54 -1.27 117.35 123.97 2khp s TYR 11 Ca -0.02 -1.58 0.03 0.00 -1.01 0.00 0.00 57.07 54.50 2khp s TYR 11 Cb -0.08 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 2khp s TYR 11 CO 0.00 -0.73 0.12 0.25 -1.11 0.00 0.00 175.55 174.08 2khp n THR 12 N 4.67 0.00 -3.76 -0.71 -2.24 -0.47 -1.51 114.28 110.26 2khp n THR 12 Ca -0.16 -1.49 -0.11 0.00 -2.27 0.00 0.00 64.05 60.02 2khp n THR 12 Cb 0.46 0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.93 0.84 -0.30 -0.78 1.70 -1.26 -1.77 118.95 114.44 2khp s ARG 13 Ca 0.16 -0.59 -0.29 0.00 -0.47 0.00 0.00 55.73 54.54 2khp s ARG 13 Cb 0.01 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 2khp s ARG 13 CO 0.12 -0.28 1.67 -1.25 -1.08 0.00 0.00 175.30 174.48 2khp s PRO 14 N -2.87 3.54 0.00 3.89 0.04 -1.26 -2.87 135.00 135.47 2khp s PRO 14 Ca -0.03 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2khp s PRO 14 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2khp s PRO 14 CO -0.05 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.79 2khp n GLY 15 N 5.10 1.53 3.28 0.56 0.00 -1.26 -5.10 105.19 109.30 2khp n GLY 15 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 8.19 -0.02 -0.02 0.00 0.13 -1.99 -2.54 132.00 135.75 2khp h PRO 17 Ca -0.26 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2khp h PRO 17 Cb 1.09 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2khp h PRO 17 CO 0.60 0.46 0.02 1.88 -0.23 0.00 0.00 178.00 180.72 2khp h TYR 18 N -0.51 0.00 0.10 1.56 0.05 -2.01 -2.52 116.97 113.64 2khp h TYR 18 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2khp h TYR 18 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2khp h TYR 18 CO 0.09 0.00 -0.05 0.00 -1.05 0.00 0.00 178.16 177.15 2khp h ALA 20 N 0.04 1.09 -0.18 0.00 0.00 -1.10 -1.36 119.26 117.75 2khp h ALA 20 Ca -0.01 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2khp h ALA 20 Cb 0.55 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2khp h ALA 20 CO 0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 179.25 178.94 2khp h ARG 21 N 0.45 -0.12 -0.07 0.00 2.47 -1.51 0.17 114.38 115.77 2khp h ARG 21 Ca 0.42 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.18 2khp h ARG 21 Cb 0.65 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 2khp h ARG 21 CO -0.41 -0.08 -0.06 0.00 0.56 0.00 0.00 179.97 179.98 2khp h ALA 22 N 1.00 -0.00 -0.29 0.04 0.00 -1.21 -1.17 119.26 117.63 2khp h ALA 22 Ca 0.11 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2khp h ALA 22 Cb 0.28 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2khp h ALA 22 CO -0.25 -0.53 0.10 0.87 0.00 0.00 0.00 179.25 179.43 2khp h LYS 23 N -0.08 0.22 -0.55 0.00 1.57 -0.94 -1.30 116.57 115.50 2khp h LYS 23 Ca 0.05 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2khp h LYS 23 Cb 0.15 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 2khp h LYS 23 CO -0.12 0.15 0.22 0.00 -0.57 0.00 0.00 179.45 179.13 2khp h ALA 24 N 1.18 0.69 -0.39 3.86 0.00 -0.37 -1.07 119.26 123.15 2khp h ALA 24 Ca 0.13 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2khp h ALA 24 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2khp h ALA 24 CO -0.13 -0.17 0.23 1.25 0.00 0.00 0.00 179.25 180.44 2khp h LEU 25 N 0.42 0.47 -0.57 0.00 5.85 -0.78 0.27 115.31 120.97 2khp h LEU 25 Ca 0.26 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2khp h LEU 25 Cb 0.27 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2khp h LEU 25 CO -0.24 0.39 0.32 -0.07 -0.34 0.00 0.00 178.44 178.50 2khp h LEU 26 N 0.51 0.49 -0.73 2.25 3.38 -0.62 -1.60 115.31 119.00 2khp h LEU 26 Ca 0.14 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2khp h LEU 26 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2khp h LEU 26 CO -0.03 0.34 -0.41 0.00 0.09 0.00 0.00 178.44 178.43 2khp h ALA 27 N 1.28 0.91 0.00 1.53 0.00 -0.93 -0.54 119.26 121.51 2khp h ALA 27 Ca 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2khp h ALA 27 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2khp h ALA 27 CO -0.14 0.51 -0.03 -0.09 0.00 0.00 0.00 179.25 179.51 2khp h ARG 28 N 0.00 0.00 -0.32 0.00 2.43 0.54 -0.95 114.38 116.08 2khp h ARG 28 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2khp h ARG 28 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2khp h ARG 28 CO 0.05 0.03 0.00 0.36 -1.51 0.00 0.00 179.97 178.90 2khp n LYS 29 N -3.28 2.23 -1.13 0.20 2.85 -1.11 -4.95 118.16 112.97 2khp n LYS 29 Ca -0.02 -1.99 -0.05 0.00 -1.05 0.00 0.00 58.31 55.21 2khp n LYS 29 Cb 0.17 -1.36 -0.02 0.00 -0.65 0.00 0.00 35.03 33.17 2khp n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2khp n GLY 30 N 0.96 0.73 3.63 2.58 0.00 -0.36 -4.98 105.19 107.74 2khp n GLY 30 Ca 0.14 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.16 3.41 0.02 4.61 0.00 -0.23 -4.99 121.76 122.42 2khp s ALA 31 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 2khp s ALA 31 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2khp s ALA 31 CO 0.00 -1.69 1.00 -1.21 0.00 0.00 0.00 175.76 173.86 2khp s GLU 32 N 3.86 4.56 -0.06 0.00 2.02 -1.26 -4.25 118.70 123.57 2khp s GLU 32 Ca 0.46 1.46 -0.12 0.00 0.02 0.00 0.00 54.97 56.79 2khp s GLU 32 Cb -0.11 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.71 2khp s GLU 32 CO 0.20 -0.04 0.29 -0.59 0.02 0.00 0.00 175.26 175.13 2khp s PHE 33 N 0.89 -0.22 -0.29 1.61 -0.12 -1.26 -4.50 117.98 114.08 2khp s PHE 33 Ca 0.52 0.46 -0.29 0.00 -0.05 0.00 0.00 56.93 57.57 2khp s PHE 33 Cb -0.22 0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2khp s PHE 33 CO 0.28 -0.28 1.11 1.21 -0.05 0.00 0.00 175.22 177.49 2khp s ASN 34 N -0.68 6.94 -0.30 1.98 2.47 -0.26 -4.89 114.94 120.19 2khp s ASN 34 Ca -0.08 1.18 -0.25 0.00 0.42 0.00 0.00 52.86 54.13 2khp s ASN 34 Cb -0.04 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2khp s ASN 34 CO 0.02 -0.85 0.85 -0.70 -3.72 0.00 0.00 177.10 172.70 2khp s GLU 35 N 3.61 4.02 0.04 0.43 2.12 -1.26 -1.23 118.70 126.42 2khp s GLU 35 Ca 0.47 0.74 0.07 0.00 0.36 0.00 0.00 54.97 56.61 2khp s GLU 35 Cb -0.14 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 2khp s GLU 35 CO 0.14 -0.69 -0.19 0.42 -0.54 0.00 0.00 175.26 174.40 2khp s ILE 36 N 3.06 1.53 0.21 -3.70 1.01 -0.40 -5.00 121.20 117.90 2khp s ILE 36 Ca 0.35 -1.11 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2khp s ILE 36 Cb -0.14 -1.33 -0.07 0.00 0.01 0.00 0.00 42.46 40.93 2khp s ILE 36 CO 0.12 0.19 0.53 -1.81 0.00 0.00 0.00 174.94 173.96 2khp s ASP 37 N -1.09 6.63 -0.01 3.58 1.01 -1.26 -1.37 116.67 124.16 2khp s ASP 37 Ca 0.06 0.90 0.00 0.00 0.71 0.00 0.00 52.55 54.22 2khp s ASP 37 Cb -0.08 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 2khp s ASP 37 CO 0.01 -0.04 -0.01 0.00 0.21 0.00 0.00 175.17 175.35 2khp n ALA 38 N 0.01 1.98 0.28 5.23 0.00 -0.73 -4.63 120.51 122.65 2khp n ALA 38 Ca -0.01 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2khp n ALA 38 Cb 0.52 0.41 0.54 0.00 0.00 0.00 0.00 19.45 20.92 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 -2.39 0.63 -0.31 0.00 2.88 -1.26 -2.68 113.62 110.49 2khp n SER 39 Ca -0.02 0.72 0.19 0.00 -1.33 0.00 0.00 58.87 58.43 2khp n SER 39 Cb 0.52 -0.83 0.45 0.00 -0.75 0.00 0.00 64.21 63.61 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 2.05 -2.31 -1.46 0.00 -1.92 -3.42 119.26 114.33 2khp h ALA 40 Ca 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2khp h ALA 40 Cb 0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 2khp h ALA 40 CO 0.00 -0.41 -0.69 0.95 0.00 0.00 0.00 179.25 179.10 2khp s THR 41 N -5.58 0.45 0.10 0.00 -4.23 -1.09 -5.07 115.64 100.22 2khp s THR 41 Ca -0.09 -1.80 -0.15 0.00 -1.18 0.00 0.00 61.69 58.47 2khp s THR 41 Cb 0.24 -1.51 -0.09 0.00 1.34 0.00 0.00 72.50 72.49 2khp s THR 41 CO 0.79 -0.89 1.42 1.55 -0.54 0.00 0.00 174.62 176.95 2khp h PRO 42 N 3.18 0.69 -0.11 3.99 0.13 -1.83 -2.79 132.00 135.26 2khp h PRO 42 Ca -0.35 -0.36 -0.02 0.00 -0.87 0.00 0.00 66.00 64.40 2khp h PRO 42 Cb 1.16 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2khp h PRO 42 CO 0.63 0.97 -0.01 0.93 -0.23 0.00 0.00 178.00 180.30 2khp h GLU 43 N 0.43 0.20 -0.84 0.86 5.08 -1.97 0.19 114.58 118.52 2khp h GLU 43 Ca 0.05 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2khp h GLU 43 Cb 0.85 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2khp h GLU 43 CO 0.07 0.48 0.55 -0.07 -1.00 0.00 0.00 179.01 179.03 2khp h LEU 44 N -0.10 0.64 0.00 1.33 3.38 -1.80 0.24 115.31 119.00 2khp h LEU 44 Ca 0.03 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2khp h LEU 44 Cb 0.40 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2khp h LEU 44 CO 0.01 0.35 -0.85 -0.09 0.09 0.00 0.00 178.44 177.96 2khp h ARG 45 N 0.70 0.00 -0.05 1.13 2.43 -1.35 -3.16 114.38 114.08 2khp h ARG 45 Ca 0.41 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.34 2khp h ARG 45 Cb 0.60 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2khp h ARG 45 CO -0.17 0.37 -0.90 0.00 -1.51 0.00 0.00 179.97 177.77 2khp h ALA 46 N 1.53 0.18 -0.35 2.80 0.00 0.13 -1.54 119.26 121.99 2khp h ALA 46 Ca -0.06 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 54.08 2khp h ALA 46 Cb 1.42 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2khp h ALA 46 CO 0.05 0.63 -0.29 1.05 0.00 0.00 0.00 179.25 180.70 2khp h GLU 47 N 0.37 0.75 0.15 0.00 4.11 -0.74 -1.41 114.58 117.81 2khp h GLU 47 Ca -0.10 -0.33 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 2khp h GLU 47 Cb 1.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2khp h GLU 47 CO 0.18 0.94 -0.07 0.52 0.07 0.00 0.00 179.01 180.65 2khp h MET 48 N 0.64 -0.19 0.00 1.06 2.86 -1.60 -3.16 114.93 114.55 2khp h MET 48 Ca 0.08 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2khp h MET 48 Cb 0.81 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 2khp h MET 48 CO 0.07 0.26 -0.01 -0.56 1.06 0.00 0.00 176.91 177.72 2khp h GLN 49 N -0.81 0.00 0.00 1.72 3.07 -1.33 0.14 115.11 117.91 2khp h GLN 49 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2khp h GLN 49 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2khp h GLN 49 CO 0.03 0.01 0.00 1.49 0.09 0.00 0.00 178.83 180.45 2khp h GLU 50 N 0.00 0.00 0.10 0.06 4.81 -1.21 -0.18 114.58 118.15 2khp h GLU 50 Ca -0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 2khp h GLU 50 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2khp h GLU 50 CO 0.00 0.00 -1.74 0.00 -0.73 0.00 0.00 179.01 176.54 2khp h ARG 51 N 0.00 0.20 0.15 1.92 3.08 -0.99 -3.37 114.38 115.39 2khp h ARG 51 Ca 0.00 -0.35 -0.29 0.00 0.07 0.00 0.00 59.98 59.41 2khp h ARG 51 Cb 0.58 0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.78 2khp h ARG 51 CO 0.00 1.01 -1.29 0.66 -1.07 0.00 0.00 179.97 179.29 2khp h SER 52 N 0.06 0.59 0.00 7.04 4.64 -1.42 -3.48 113.55 120.98 2khp h SER 52 Ca -0.32 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 2khp h SER 52 Cb 2.03 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2khp h SER 52 CO 0.12 1.47 0.00 0.61 -0.87 0.00 0.00 176.83 178.15 2khp n GLY 53 N 1.52 0.75 3.28 -0.77 0.00 -0.09 -5.07 105.19 104.82 2khp n GLY 53 Ca -0.11 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.50 1.61 0.00 1.61 1.81 -1.21 -5.07 118.95 116.19 2khp s ARG 54 Ca 0.00 -1.89 0.00 0.00 -1.72 0.00 0.00 55.73 52.12 2khp s ARG 54 Cb 0.00 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.82 2khp s ARG 54 CO 0.00 -0.59 0.74 0.27 -0.68 0.00 0.00 175.30 175.04 2khp n ASN 55 N -1.18 0.00 -3.64 0.23 0.23 -1.26 -4.75 115.26 104.89 2khp n ASN 55 Ca 0.06 0.74 -0.08 0.00 -0.53 0.00 0.00 54.58 54.77 2khp n ASN 55 Cb 0.63 -0.24 -0.07 0.00 -2.08 0.00 0.00 39.78 38.02 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 -1.97 0.00 0.13 5.53 2.01 -1.26 -4.74 115.64 115.34 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 1.22 0.35 0.11 4.92 -0.71 -1.26 -5.12 117.98 117.49 2khp s PHE 57 Ca -0.07 -0.75 -0.31 0.00 -1.04 0.00 0.00 56.93 54.76 2khp s PHE 57 Cb -0.05 -0.11 -0.08 0.00 -1.21 0.00 0.00 43.02 41.58 2khp s PHE 57 CO -0.14 -0.62 1.36 -1.25 -1.34 0.00 0.00 175.22 173.23 2khp s PRO 58 N -3.93 4.34 -0.17 1.99 0.04 -1.26 -4.90 135.00 131.11 2khp s PRO 58 Ca 0.13 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 2khp s PRO 58 Cb 0.04 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 2khp s PRO 58 CO -0.04 -0.41 0.23 -0.65 0.04 0.00 0.00 177.00 176.17 2khp s GLN 59 N 1.05 4.16 -0.36 4.56 -1.52 -0.57 -3.40 119.66 123.58 2khp s GLN 59 Ca 0.63 -0.02 0.02 0.00 -1.95 0.00 0.00 55.36 54.04 2khp s GLN 59 Cb -0.36 -3.40 0.10 0.00 -0.22 0.00 0.00 33.01 29.13 2khp s GLN 59 CO 0.30 0.32 0.09 0.42 -0.25 0.00 0.00 175.29 176.17 2khp s ILE 60 N 0.27 2.61 -0.27 1.08 -1.09 0.98 -1.47 121.20 123.30 2khp s ILE 60 Ca 0.14 -2.22 -0.12 0.00 -2.23 0.00 0.00 60.65 56.22 2khp s ILE 60 Cb -0.12 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 2khp s ILE 60 CO 0.02 -0.61 0.22 -0.36 -1.23 0.00 0.00 174.94 172.99 2khp s PHE 61 N 0.99 3.23 -0.15 3.97 0.08 0.21 -0.09 117.98 126.22 2khp s PHE 61 Ca 0.09 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.33 2khp s PHE 61 Cb -0.20 -2.41 0.02 0.00 -0.57 0.00 0.00 43.02 39.86 2khp s PHE 61 CO -0.07 -0.16 -0.15 0.42 -0.10 0.00 0.00 175.22 175.17 2khp s ILE 62 N 1.77 1.62 0.00 0.64 1.01 -0.55 -1.41 121.20 124.27 2khp s ILE 62 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2khp s ILE 62 Cb -0.16 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2khp s ILE 62 CO 0.10 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.12 2khp n GLY 63 N 4.72 1.23 0.01 6.18 0.00 -1.20 -1.56 105.19 114.57 2khp n GLY 63 Ca -0.17 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2khp n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2khp n SER 64 N 10.86 1.71 -4.34 1.61 7.64 -1.17 -4.83 113.62 125.10 2khp n SER 64 Ca 0.00 -1.89 -0.25 0.00 1.01 0.00 0.00 58.87 57.74 2khp n SER 64 Cb 0.00 -0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 2khp n SER 64 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2khp s VAL 65 N -0.92 1.94 -0.52 0.44 1.01 -0.60 -5.11 120.40 116.64 2khp s VAL 65 Ca 0.01 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.09 2khp s VAL 65 Cb 0.01 -1.79 0.09 0.00 0.00 0.00 0.00 36.38 34.70 2khp s VAL 65 CO 0.00 -0.08 0.53 -2.28 0.00 0.00 0.00 175.10 173.27 2khp s HIS 66 N -1.38 3.16 0.00 5.22 2.46 -1.26 -1.49 115.29 122.01 2khp s HIS 66 Ca 0.12 -0.97 0.00 0.00 0.47 0.00 0.00 55.06 54.68 2khp s HIS 66 Cb -0.09 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 2khp s HIS 66 CO 0.06 -1.00 0.78 0.28 -2.47 0.00 0.00 174.74 172.39 2khp n VAL 67 N 5.36 0.00 0.00 0.89 0.31 0.88 -4.99 118.33 120.78 2khp n VAL 67 Ca -0.11 1.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.50 2khp n VAL 67 Cb 0.43 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 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 -0.82 -1.09 0.00 2.92 0.00 -1.15 -4.95 105.19 100.10 2khp n GLY 68 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 4.07 0.09 -0.02 0.00 -1.22 -0.01 105.19 108.10 2khp n GLY 69 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.18 0.16 0.21 0.00 3.58 -1.96 0.26 116.42 118.86 2khp h ASP 71 Ca 0.05 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2khp h ASP 71 Cb -0.02 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2khp h ASP 71 CO -0.01 0.13 -0.10 0.44 -2.88 0.00 0.00 179.24 176.81 2khp h ASP 72 N 0.31 -0.24 -0.80 2.28 5.19 -1.88 0.98 116.42 122.27 2khp h ASP 72 Ca 0.19 -0.19 0.09 0.00 -0.62 0.00 0.00 57.03 56.50 2khp h ASP 72 Cb 0.17 0.06 -0.07 0.00 0.18 0.00 0.00 39.33 39.68 2khp h ASP 72 CO -0.19 0.07 0.45 0.25 -3.12 0.00 0.00 179.24 176.70 2khp h LEU 73 N -0.56 0.65 -0.74 1.55 6.46 -0.39 0.29 115.31 122.57 2khp h LEU 73 Ca -0.03 0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.65 2khp h LEU 73 Cb 0.41 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2khp h LEU 73 CO 0.05 0.37 -0.56 1.88 -0.62 0.00 0.00 178.44 179.56 2khp h TYR 74 N 0.77 0.24 -0.01 1.25 -1.99 -0.42 -1.23 116.97 115.58 2khp h TYR 74 Ca 0.39 -0.08 -0.16 0.00 2.00 0.00 0.00 58.73 60.87 2khp h TYR 74 Cb 0.35 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 2khp h TYR 74 CO -0.07 0.71 -0.75 0.00 -0.00 0.00 0.00 178.16 178.06 2khp h ALA 75 N 1.27 0.74 0.01 3.88 0.00 0.63 -2.96 119.26 122.83 2khp h ALA 75 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2khp h ALA 75 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2khp h ALA 75 CO 0.08 0.89 -0.05 -0.07 0.00 0.00 0.00 179.25 180.10 2khp h LEU 76 N 0.05 0.03 -2.06 0.00 -0.00 -0.36 -3.28 115.31 109.69 2khp h LEU 76 Ca -0.02 -0.94 0.10 0.00 -0.00 0.00 0.00 57.88 57.03 2khp h LEU 76 Cb 1.32 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.95 2khp h LEU 76 CO 0.10 0.97 0.30 1.05 -0.00 0.00 0.00 178.44 180.86 2khp h GLU 77 N -0.89 0.00 0.00 1.13 -0.00 -1.31 0.28 114.58 113.78 2khp h GLU 77 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.30 2khp h GLU 77 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.72 2khp h GLU 77 CO 0.01 0.00 -0.25 0.22 -0.00 0.00 0.00 179.01 178.99 2khp h ASP 78 N 0.00 0.00 0.47 3.06 1.82 -1.58 -2.80 116.42 117.40 2khp h ASP 78 Ca 0.17 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 2khp h ASP 78 Cb 0.77 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.77 2khp h ASP 78 CO -0.00 0.25 -1.55 -0.62 -1.61 0.00 0.00 179.24 175.70 2khp n GLU 79 N -3.61 0.64 -1.37 0.28 1.02 0.87 -4.99 120.64 113.48 2khp n GLU 79 Ca -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2khp n GLU 79 Cb 0.38 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.25 0.71 0.01 0.62 0.00 -0.47 -4.96 105.19 102.35 2khp n GLY 80 Ca -0.04 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.36 0.61 -0.29 1.61 4.76 -1.19 -4.42 118.16 117.88 2khp n LYS 81 Ca 0.00 -0.18 0.08 0.00 -2.87 0.00 0.00 58.31 55.34 2khp n LYS 81 Cb 0.30 -1.49 0.23 0.00 -1.84 0.00 0.00 35.03 32.24 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 0.47 -0.85 -0.35 7.12 -1.91 0.28 115.31 120.08 2khp h LEU 82 Ca 0.00 0.10 0.08 0.00 0.13 0.00 0.00 57.88 58.20 2khp h LEU 82 Cb 0.92 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 41.01 2khp h LEU 82 CO 0.00 0.17 0.50 -0.78 -0.13 0.00 0.00 178.44 178.21 2khp h ASP 83 N 0.57 0.75 1.25 1.25 3.58 -1.95 -0.58 116.42 121.29 2khp h ASP 83 Ca 0.47 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.82 2khp h ASP 83 Cb 0.72 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2khp h ASP 83 CO -0.39 0.45 -0.66 -1.28 -2.88 0.00 0.00 179.24 174.47 2khp h SER 84 N 0.87 0.00 -0.43 2.28 0.87 -1.23 -2.24 113.55 113.66 2khp h SER 84 Ca 0.39 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.87 2khp h SER 84 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2khp h SER 84 CO -0.22 0.66 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.60 2khp h LEU 85 N 0.00 0.81 0.00 2.23 -0.00 0.67 0.18 115.31 119.20 2khp h LEU 85 Ca -0.01 -0.35 -0.09 0.00 -0.00 0.00 0.00 57.88 57.43 2khp h LEU 85 Cb 1.47 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.90 2khp h LEU 85 CO 0.09 0.97 -0.62 0.17 -0.00 0.00 0.00 178.44 179.04 2khp h LEU 86 N 0.64 0.00 0.06 1.67 8.10 -1.22 0.25 115.31 124.81 2khp h LEU 86 Ca 0.11 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.99 2khp h LEU 86 Cb 0.60 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.83 2khp h LEU 86 CO 0.04 0.40 -0.46 0.11 -4.11 0.00 0.00 178.44 174.42 2khp h LYS 87 N 0.00 0.21 0.12 0.17 1.57 -1.27 -3.29 116.57 114.09 2khp h LYS 87 Ca -0.03 -0.30 -0.35 0.00 -1.87 0.00 0.00 60.65 58.09 2khp h LYS 87 Cb 1.33 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 2khp h LYS 87 CO 0.05 1.09 -1.91 1.79 -0.57 0.00 0.00 179.45 179.90 2khp h THR 88 N -0.51 0.72 0.00 -0.16 1.35 -0.76 -3.35 112.91 110.19 2khp h THR 88 Ca -0.07 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 2khp h THR 88 Cb 1.29 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 2khp h THR 88 CO 0.09 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 2khp n GLY 89 N 1.92 0.59 3.40 5.82 0.00 0.88 -4.83 105.19 112.97 2khp n GLY 89 Ca -0.29 -0.59 -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 -1.14 1.35 -0.22 1.61 3.01 -1.24 -3.05 119.74 120.06 2khp s LYS 90 Ca 0.00 -1.38 -0.21 0.00 -1.01 0.00 0.00 55.97 53.37 2khp s LYS 90 Cb 0.00 0.38 -0.02 0.00 -1.01 0.00 0.00 37.83 37.18 2khp s LYS 90 CO 0.00 -0.51 0.64 -0.51 0.51 0.00 0.00 175.35 175.48 2khp s LEU 91 N -3.06 4.11 0.00 3.17 1.43 -1.26 -4.59 118.68 118.48 2khp s LEU 91 Ca 0.28 0.80 0.26 0.00 -1.03 0.00 0.00 54.13 54.43 2khp s LEU 91 Cb 0.03 -2.89 0.52 0.00 0.03 0.00 0.00 46.19 43.88 2khp s LEU 91 CO 0.09 -0.32 1.45 2.30 0.23 0.00 0.00 176.35 180.09