#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 4.25 0.00 1.61 0.04 -1.26 -4.88 135.00 134.75 2khp s PRO 2 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2khp s PRO 2 Cb 0.00 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2khp s PRO 2 CO 0.00 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.79 2khp n GLY 3 N 3.78 4.22 0.02 0.56 0.00 -1.26 -4.90 105.19 107.60 2khp n GLY 3 Ca 0.14 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 2.26 -3.59 1.61 7.64 -1.26 -4.76 113.62 115.52 2khp n SER 4 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2khp n SER 4 Cb 0.00 1.28 -0.04 0.00 -1.01 0.00 0.00 64.21 64.44 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 -2.64 0.43 0.00 1.43 1.75 -1.26 -4.93 119.30 114.09 2khp s MET 5 Ca -0.05 0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.45 2khp s MET 5 Cb 0.06 0.20 -0.00 0.00 2.84 0.00 0.00 34.83 37.93 2khp s MET 5 CO 0.48 -0.14 -0.02 0.14 -0.65 0.00 0.00 175.02 174.83 2khp s VAL 6 N -1.33 0.15 0.26 10.11 -7.23 -1.23 -5.01 120.40 116.13 2khp s VAL 6 Ca 0.03 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 2khp s VAL 6 Cb -0.01 -0.14 -0.10 0.00 0.56 0.00 0.00 36.38 36.69 2khp s VAL 6 CO -0.02 0.01 1.44 -1.81 -0.31 0.00 0.00 175.10 174.41 2khp s ASP 7 N -0.14 6.63 -0.06 4.85 1.11 -1.26 -4.70 116.67 123.10 2khp s ASP 7 Ca -0.00 2.71 0.04 0.00 0.18 0.00 0.00 52.55 55.48 2khp s ASP 7 Cb -0.01 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 2khp s ASP 7 CO -0.00 -0.71 -0.19 -0.69 1.18 0.00 0.00 175.17 174.76 2khp s VAL 8 N -0.14 2.62 -0.03 -1.27 1.01 -1.26 -2.67 120.40 118.66 2khp s VAL 8 Ca 0.59 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2khp s VAL 8 Cb -0.42 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2khp s VAL 8 CO 0.45 0.57 -0.10 -0.63 0.00 0.00 0.00 175.10 175.39 2khp s ILE 9 N -0.39 0.90 -0.04 2.22 1.01 -0.56 -1.80 121.20 122.54 2khp s ILE 9 Ca 0.04 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.35 2khp s ILE 9 Cb -0.12 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 2khp s ILE 9 CO 0.02 0.28 -0.25 -0.51 0.00 0.00 0.00 174.94 174.48 2khp s ILE 10 N 0.27 2.02 -0.24 2.92 -1.16 -0.35 -0.75 121.20 123.91 2khp s ILE 10 Ca -0.05 -1.07 -0.02 0.00 -0.51 0.00 0.00 60.65 58.99 2khp s ILE 10 Cb -0.10 -1.70 0.02 0.00 0.61 0.00 0.00 42.46 41.29 2khp s ILE 10 CO 0.01 0.57 -0.06 -0.31 -2.81 0.00 0.00 174.94 172.34 2khp s TYR 11 N -0.38 3.01 0.03 3.50 1.51 -0.38 -1.46 117.35 123.17 2khp s TYR 11 Ca 0.03 -1.36 -0.06 0.00 -1.01 0.00 0.00 57.07 54.66 2khp s TYR 11 Cb -0.12 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 2khp s TYR 11 CO 0.01 -0.68 0.12 -0.08 -1.11 0.00 0.00 175.55 173.81 2khp s THR 12 N 1.37 0.11 0.27 -0.71 -1.32 -0.49 -1.19 115.64 113.68 2khp s THR 12 Ca 0.02 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 59.63 2khp s THR 12 Cb -0.16 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 2khp s THR 12 CO -0.05 -0.52 0.17 0.00 -2.21 0.00 0.00 174.62 172.02 2khp s ARG 13 N -2.22 2.77 -0.29 7.08 1.70 -1.26 -3.98 118.95 122.75 2khp s ARG 13 Ca -0.08 -1.17 -0.29 0.00 -0.47 0.00 0.00 55.73 53.72 2khp s ARG 13 Cb -0.03 -2.47 -0.02 0.00 -0.57 0.00 0.00 34.95 31.86 2khp s ARG 13 CO -0.03 0.34 1.66 -1.25 -1.08 0.00 0.00 175.30 174.94 2khp s PRO 14 N -3.84 3.59 0.00 3.89 0.04 -1.26 -2.68 135.00 134.74 2khp s PRO 14 Ca 0.34 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2khp s PRO 14 Cb -0.07 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2khp s PRO 14 CO 0.24 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.14 2khp n GLY 15 N 5.02 1.29 3.50 0.56 0.00 -1.26 -5.08 105.19 109.21 2khp n GLY 15 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 8.62 -0.09 -0.04 0.00 0.13 -1.98 -2.75 132.00 135.89 2khp h PRO 17 Ca -0.28 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2khp h PRO 17 Cb 1.12 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2khp h PRO 17 CO 0.75 0.36 0.03 1.88 -0.23 0.00 0.00 178.00 180.80 2khp h TYR 18 N -0.58 0.00 -0.10 1.56 0.05 -2.00 -2.11 116.97 113.78 2khp h TYR 18 Ca -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 2khp h TYR 18 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2khp h TYR 18 CO 0.08 0.00 -0.29 0.00 -1.05 0.00 0.00 178.16 176.91 2khp h ALA 20 N 0.50 1.55 -0.70 0.00 0.00 -1.07 0.30 119.26 119.84 2khp h ALA 20 Ca -0.01 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2khp h ALA 20 Cb 0.90 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2khp h ALA 20 CO 0.06 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.47 2khp h ARG 21 N 0.73 1.09 -0.01 0.00 -0.00 -1.54 -1.32 114.38 113.33 2khp h ARG 21 Ca 0.55 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.98 59.79 2khp h ARG 21 Cb 0.83 -0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.64 2khp h ARG 21 CO -0.38 0.94 0.01 0.00 0.00 0.00 0.00 179.97 180.54 2khp h ALA 22 N 1.10 0.02 0.13 0.04 0.00 -0.91 -0.19 119.26 119.45 2khp h ALA 22 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2khp h ALA 22 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2khp h ALA 22 CO -0.01 -0.42 -0.07 0.87 0.00 0.00 0.00 179.25 179.62 2khp h LYS 23 N -0.10 -0.18 -0.98 0.00 1.57 -1.19 -1.39 116.57 114.30 2khp h LYS 23 Ca 0.00 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2khp h LYS 23 Cb 0.13 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2khp h LYS 23 CO -0.00 -0.12 0.64 0.00 -0.57 0.00 0.00 179.45 179.39 2khp h ALA 24 N 0.68 1.41 0.74 3.86 0.00 -1.20 -1.22 119.26 123.52 2khp h ALA 24 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2khp h ALA 24 Cb 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2khp h ALA 24 CO 0.02 0.46 -0.35 1.25 0.00 0.00 0.00 179.25 180.62 2khp h LEU 25 N 1.17 -0.84 -0.79 0.00 7.12 -0.67 0.24 115.31 121.55 2khp h LEU 25 Ca 0.41 0.01 0.13 0.00 0.13 0.00 0.00 57.88 58.56 2khp h LEU 25 Cb 0.13 0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 40.39 2khp h LEU 25 CO -0.15 -0.55 0.40 -0.07 -0.13 0.00 0.00 178.44 177.94 2khp h LEU 26 N -1.07 0.49 -1.07 2.25 3.38 -1.05 0.96 115.31 119.19 2khp h LEU 26 Ca -0.10 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2khp h LEU 26 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2khp h LEU 26 CO 0.17 0.23 -0.43 0.00 0.09 0.00 0.00 178.44 178.50 2khp h ALA 27 N 1.51 1.15 -0.39 1.53 0.00 -1.10 -2.56 119.26 119.39 2khp h ALA 27 Ca 0.42 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2khp h ALA 27 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2khp h ALA 27 CO -0.33 0.54 0.08 -0.09 0.00 0.00 0.00 179.25 179.44 2khp h ARG 28 N 0.00 0.64 0.00 0.00 2.43 0.20 -2.24 114.38 115.41 2khp h ARG 28 Ca -0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2khp h ARG 28 Cb 0.83 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2khp h ARG 28 CO 0.06 0.68 0.00 0.87 -1.51 0.00 0.00 179.97 180.07 2khp h LYS 29 N 0.49 0.00 0.00 0.20 1.57 -1.31 -3.45 116.57 114.07 2khp h LYS 29 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2khp h LYS 29 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2khp h LYS 29 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 2khp n GLY 30 N -0.63 0.93 3.40 3.86 0.00 -0.84 -5.07 105.19 106.84 2khp n GLY 30 Ca -0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 3.20 0.42 4.61 0.00 -0.97 -5.03 121.76 121.98 2khp s ALA 31 Ca 0.00 -1.41 -0.24 0.00 0.00 0.00 0.00 51.96 50.31 2khp s ALA 31 Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 2khp s ALA 31 CO 0.00 -0.91 1.15 -1.21 0.00 0.00 0.00 175.76 174.80 2khp s GLU 32 N 1.57 3.95 0.05 0.00 2.02 -1.26 -3.97 118.70 121.07 2khp s GLU 32 Ca 0.04 1.77 -0.10 0.00 0.02 0.00 0.00 54.97 56.70 2khp s GLU 32 Cb -0.17 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2khp s GLU 32 CO 0.05 -0.39 0.21 -0.59 0.02 0.00 0.00 175.26 174.56 2khp s PHE 33 N -1.50 0.06 -0.26 1.61 -0.12 -1.26 -4.53 117.98 111.99 2khp s PHE 33 Ca 0.60 -0.33 -0.18 0.00 -0.05 0.00 0.00 56.93 56.97 2khp s PHE 33 Cb -0.29 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 2khp s PHE 33 CO 0.35 -0.47 0.52 1.21 -0.05 0.00 0.00 175.22 176.78 2khp s ASN 34 N -2.29 6.44 -0.36 1.98 2.47 -0.75 -4.93 114.94 117.50 2khp s ASN 34 Ca -0.02 0.53 -0.24 0.00 0.42 0.00 0.00 52.86 53.55 2khp s ASN 34 Cb 0.01 -2.28 0.01 0.00 -1.45 0.00 0.00 41.25 37.53 2khp s ASN 34 CO -0.06 -0.28 0.85 -0.70 -3.72 0.00 0.00 177.10 173.19 2khp s GLU 35 N 2.27 3.80 0.07 0.43 2.12 -1.26 -1.21 118.70 124.92 2khp s GLU 35 Ca 0.21 0.45 0.06 0.00 0.36 0.00 0.00 54.97 56.05 2khp s GLU 35 Cb -0.16 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 2khp s GLU 35 CO 0.09 -0.89 -0.15 0.42 -0.54 0.00 0.00 175.26 174.19 2khp s ILE 36 N 3.27 1.21 0.07 -3.70 1.01 -0.54 -5.01 121.20 117.51 2khp s ILE 36 Ca 0.35 -1.32 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2khp s ILE 36 Cb -0.13 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2khp s ILE 36 CO 0.18 -0.18 0.09 -1.81 0.00 0.00 0.00 174.94 173.21 2khp s ASP 37 N -1.72 5.61 -0.06 3.58 1.11 -1.26 -1.40 116.67 122.53 2khp s ASP 37 Ca -0.00 0.03 0.03 0.00 0.18 0.00 0.00 52.55 52.78 2khp s ASP 37 Cb -0.10 -1.54 -0.05 0.00 1.07 0.00 0.00 42.92 42.30 2khp s ASP 37 CO 0.02 0.18 -0.02 0.00 1.18 0.00 0.00 175.17 176.54 2khp n ALA 38 N 0.50 1.86 0.31 5.23 0.00 -1.26 -4.57 120.51 122.59 2khp n ALA 38 Ca -0.09 -0.32 0.21 0.00 0.00 0.00 0.00 53.44 53.25 2khp n ALA 38 Cb 0.52 0.23 1.11 0.00 0.00 0.00 0.00 19.45 21.31 2khp n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2khp h SER 39 N 0.00 0.00 -1.00 0.00 0.87 -1.88 -2.39 113.55 109.15 2khp h SER 39 Ca -0.14 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.61 2khp h SER 39 Cb 1.28 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.14 2khp h SER 39 CO -0.01 0.00 0.61 0.00 -0.53 0.00 0.00 176.83 176.91 2khp h ALA 40 N 2.00 1.78 -2.36 6.23 0.00 -1.96 -3.42 119.26 121.52 2khp h ALA 40 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 2khp h ALA 40 Cb 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.57 2khp h ALA 40 CO 0.00 -0.15 -0.72 0.95 0.00 0.00 0.00 179.25 179.34 2khp s THR 41 N -5.78 1.07 0.10 0.00 -4.23 -0.90 -5.06 115.64 100.83 2khp s THR 41 Ca -0.11 -1.95 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 2khp s THR 41 Cb 0.25 -1.71 -0.08 0.00 1.34 0.00 0.00 72.50 72.29 2khp s THR 41 CO 0.80 -0.71 1.42 1.55 -0.54 0.00 0.00 174.62 177.14 2khp h PRO 42 N 2.99 0.71 -0.06 3.99 0.13 -1.82 -2.52 132.00 135.42 2khp h PRO 42 Ca -0.37 -0.37 0.03 0.00 -0.87 0.00 0.00 66.00 64.42 2khp h PRO 42 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2khp h PRO 42 CO 0.61 0.99 -0.09 1.49 -0.23 0.00 0.00 178.00 180.76 2khp h GLU 43 N 0.45 -0.13 0.00 0.86 4.57 -1.97 0.26 114.58 118.63 2khp h GLU 43 Ca 0.05 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2khp h GLU 43 Cb 0.85 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2khp h GLU 43 CO 0.07 -0.09 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.58 2khp h LEU 44 N -0.13 0.00 -0.02 1.64 3.38 -1.78 -2.15 115.31 116.25 2khp h LEU 44 Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2khp h LEU 44 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2khp h LEU 44 CO -0.14 0.16 -0.89 -0.09 0.09 0.00 0.00 178.44 177.56 2khp h ARG 45 N 0.00 0.00 0.32 1.13 2.43 -0.80 -2.74 114.38 114.72 2khp h ARG 45 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2khp h ARG 45 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2khp h ARG 45 CO 0.02 0.89 -0.15 0.00 -1.51 0.00 0.00 179.97 179.22 2khp h ALA 46 N 1.11 -0.42 -0.36 2.80 0.00 0.14 -1.09 119.26 121.43 2khp h ALA 46 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2khp h ALA 46 Cb 1.68 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2khp h ALA 46 CO 0.12 -0.54 0.00 1.05 0.00 0.00 0.00 179.25 179.88 2khp h GLU 47 N -0.82 0.57 0.04 0.00 4.11 -1.63 0.24 114.58 117.09 2khp h GLU 47 Ca -0.04 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 2khp h GLU 47 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2khp h GLU 47 CO 0.07 0.59 -0.02 1.98 0.07 0.00 0.00 179.01 181.70 2khp h MET 48 N 0.54 -0.06 0.00 1.06 4.05 -1.49 -2.79 114.93 116.25 2khp h MET 48 Ca 0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2khp h MET 48 Cb 0.34 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2khp h MET 48 CO 0.01 0.22 0.00 -0.56 0.23 0.00 0.00 176.91 176.81 2khp h GLN 49 N -0.33 0.00 0.00 0.39 3.07 -1.05 -2.79 115.11 114.40 2khp h GLN 49 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.62 2khp h GLN 49 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 2khp h GLN 49 CO 0.01 0.00 -0.52 1.49 0.09 0.00 0.00 178.83 179.90 2khp h GLU 50 N 0.00 0.00 0.09 0.06 4.81 -0.31 0.32 114.58 119.55 2khp h GLU 50 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2khp h GLU 50 Cb 0.65 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2khp h GLU 50 CO 0.00 0.52 -1.98 0.54 -0.73 0.00 0.00 179.01 177.36 2khp n ARG 51 N -3.62 0.72 0.11 1.92 1.74 -1.07 -4.31 116.66 112.15 2khp n ARG 51 Ca -0.00 0.26 -0.18 0.00 -0.77 0.00 0.00 57.85 57.15 2khp n ARG 51 Cb 0.59 -1.71 -0.13 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 0.05 0.57 0.00 0.55 0.87 -1.53 -3.48 113.55 110.58 2khp h SER 52 Ca -0.41 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2khp h SER 52 Cb 2.03 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2khp h SER 52 CO 0.07 1.44 0.00 0.61 -0.53 0.00 0.00 176.83 178.42 2khp n GLY 53 N 1.48 1.21 3.76 5.77 0.00 0.11 -5.01 105.19 112.51 2khp n GLY 53 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.16 2.17 0.02 1.61 0.52 -1.25 -5.03 118.95 116.83 2khp s ARG 54 Ca 0.00 -2.22 -0.05 0.00 -0.52 0.00 0.00 55.73 52.94 2khp s ARG 54 Cb 0.00 -1.70 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 2khp s ARG 54 CO 0.00 -0.32 1.08 -2.95 0.02 0.00 0.00 175.30 173.13 2khp h ASN 55 N 1.33 -0.26 -3.31 0.23 -1.07 -1.95 -3.43 115.58 107.13 2khp h ASN 55 Ca -0.43 0.03 0.01 0.00 0.07 0.00 0.00 56.30 55.99 2khp h ASN 55 Cb 1.29 0.10 -0.22 0.00 -2.07 0.00 0.00 38.32 37.43 2khp h ASN 55 CO 0.72 -0.06 0.11 -0.89 0.07 0.00 0.00 177.43 177.37 2khp s THR 56 N -3.38 0.00 0.12 6.14 2.01 -1.26 -4.71 115.64 114.56 2khp s THR 56 Ca -0.02 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 2khp s THR 56 Cb 0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 2khp s THR 56 CO 0.09 0.00 0.20 0.72 -0.69 0.00 0.00 174.62 174.94 2khp s PHE 57 N 1.12 0.33 -0.10 4.92 -0.71 -1.26 -5.09 117.98 117.19 2khp s PHE 57 Ca -0.06 -0.74 -0.29 0.00 -1.04 0.00 0.00 56.93 54.80 2khp s PHE 57 Cb -0.05 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 2khp s PHE 57 CO -0.12 -0.61 1.53 -1.25 -1.34 0.00 0.00 175.22 173.44 2khp s PRO 58 N -3.92 4.16 -0.16 1.99 0.04 -1.26 -4.79 135.00 131.06 2khp s PRO 58 Ca 0.12 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 63.00 2khp s PRO 58 Cb 0.05 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 2khp s PRO 58 CO -0.05 -0.84 0.30 -0.65 0.04 0.00 0.00 177.00 175.80 2khp s GLN 59 N 3.93 4.26 -0.40 4.56 1.11 -0.33 -3.17 119.66 129.62 2khp s GLN 59 Ca 0.67 0.11 -0.02 0.00 0.01 0.00 0.00 55.36 56.13 2khp s GLN 59 Cb -0.29 -3.43 0.11 0.00 -1.01 0.00 0.00 33.01 28.39 2khp s GLN 59 CO 0.25 0.22 0.19 0.42 0.01 0.00 0.00 175.29 176.38 2khp s ILE 60 N 0.51 3.20 -0.38 1.08 -1.09 0.91 -1.25 121.20 124.18 2khp s ILE 60 Ca 0.17 -2.06 -0.17 0.00 -2.23 0.00 0.00 60.65 56.36 2khp s ILE 60 Cb -0.13 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2khp s ILE 60 CO 0.04 -0.67 0.42 -0.36 -1.23 0.00 0.00 174.94 173.14 2khp s PHE 61 N 1.12 3.18 -0.27 3.97 0.08 0.07 -0.50 117.98 125.64 2khp s PHE 61 Ca 0.08 -0.17 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 2khp s PHE 61 Cb -0.22 -2.82 0.03 0.00 -0.57 0.00 0.00 43.02 39.45 2khp s PHE 61 CO -0.04 -0.58 -0.03 0.42 -0.10 0.00 0.00 175.22 174.89 2khp s ILE 62 N 2.13 2.96 0.00 0.64 1.01 -0.43 -1.49 121.20 126.02 2khp s ILE 62 Ca 0.13 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2khp s ILE 62 Cb -0.17 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.72 2khp s ILE 62 CO 0.13 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2khp n GLY 63 N 4.66 1.22 0.03 6.18 0.00 -1.09 -1.61 105.19 114.58 2khp n GLY 63 Ca -0.15 0.28 0.02 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 10.28 1.91 -4.33 1.61 7.64 -0.69 -4.88 113.62 125.16 2khp n SER 64 Ca 0.00 -2.19 -0.25 0.00 1.01 0.00 0.00 58.87 57.44 2khp n SER 64 Cb 0.00 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.35 1.89 -0.53 0.44 1.01 -0.63 -5.05 120.40 116.17 2khp s VAL 65 Ca 0.07 -1.71 -0.14 0.00 0.00 0.00 0.00 61.98 60.21 2khp s VAL 65 Cb 0.07 -1.75 0.13 0.00 0.00 0.00 0.00 36.38 34.83 2khp s VAL 65 CO 0.01 -0.09 0.47 -2.28 0.00 0.00 0.00 175.10 173.20 2khp s HIS 66 N -1.38 3.32 0.00 5.22 2.46 -1.26 -1.31 115.29 122.33 2khp s HIS 66 Ca 0.11 -1.48 0.00 0.00 0.47 0.00 0.00 55.06 54.16 2khp s HIS 66 Cb -0.09 -3.72 0.00 0.00 -0.13 0.00 0.00 32.58 28.64 2khp s HIS 66 CO 0.06 -1.01 0.55 0.28 -2.47 0.00 0.00 174.74 172.14 2khp n VAL 67 N 5.10 0.00 0.00 0.89 0.31 0.35 -5.00 118.33 119.99 2khp n VAL 67 Ca -0.11 1.05 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 2khp n VAL 67 Cb 0.40 -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 -0.64 -0.93 0.00 2.92 0.00 -1.22 -4.95 105.19 100.37 2khp n GLY 68 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 4.44 0.09 -0.02 0.00 -1.19 -0.06 105.19 108.44 2khp n GLY 69 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.21 -0.10 0.25 0.00 3.58 -1.95 0.24 116.42 118.64 2khp h ASP 71 Ca 0.06 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2khp h ASP 71 Cb -0.02 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2khp h ASP 71 CO -0.01 -0.02 -0.12 0.44 -2.88 0.00 0.00 179.24 176.65 2khp h ASP 72 N 0.05 -0.28 -0.58 2.28 5.19 -1.89 0.14 116.42 121.33 2khp h ASP 72 Ca 0.09 -0.14 0.09 0.00 -0.62 0.00 0.00 57.03 56.45 2khp h ASP 72 Cb 0.12 0.07 -0.07 0.00 0.18 0.00 0.00 39.33 39.64 2khp h ASP 72 CO -0.17 -0.02 0.21 0.25 -3.12 0.00 0.00 179.24 176.39 2khp h LEU 73 N -0.54 0.21 -1.01 1.55 5.85 -0.31 0.31 115.31 121.37 2khp h LEU 73 Ca -0.03 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2khp h LEU 73 Cb 0.40 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2khp h LEU 73 CO 0.06 0.13 -0.47 1.88 -0.34 0.00 0.00 178.44 179.69 2khp h TYR 74 N 0.39 0.06 -0.01 1.25 -1.99 -0.45 -1.13 116.97 115.09 2khp h TYR 74 Ca 0.29 -0.02 -0.17 0.00 2.00 0.00 0.00 58.73 60.83 2khp h TYR 74 Cb 0.34 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 2khp h TYR 74 CO -0.17 0.51 -0.76 0.00 -0.00 0.00 0.00 178.16 177.75 2khp h ALA 75 N 1.48 0.71 0.00 3.88 0.00 0.89 -2.99 119.26 123.24 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 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2khp h ALA 75 CO 0.06 0.88 -0.03 -0.07 0.00 0.00 0.00 179.25 180.09 2khp h LEU 76 N 0.07 0.02 -2.05 0.00 -0.00 -0.25 -3.28 115.31 109.82 2khp h LEU 76 Ca -0.02 -0.94 0.12 0.00 -0.00 0.00 0.00 57.88 57.04 2khp h LEU 76 Cb 1.33 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 2khp h LEU 76 CO 0.11 0.96 0.34 1.05 -0.00 0.00 0.00 178.44 180.90 2khp h GLU 77 N -0.92 0.00 0.00 1.13 -0.00 -1.30 0.30 114.58 113.79 2khp h GLU 77 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.33 2khp h GLU 77 Cb 0.97 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.72 2khp h GLU 77 CO 0.01 0.00 -0.11 0.22 -0.00 0.00 0.00 179.01 179.12 2khp h ASP 78 N 0.00 0.00 0.00 3.06 3.58 -1.58 -2.70 116.42 118.77 2khp h ASP 78 Ca 0.19 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2khp h ASP 78 Cb 0.87 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 2khp h ASP 78 CO -0.00 0.11 -1.78 -0.62 -2.88 0.00 0.00 179.24 174.07 2khp n GLU 79 N -3.70 0.57 -1.82 0.28 1.02 0.86 -5.01 120.64 112.85 2khp n GLU 79 Ca -0.02 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2khp n GLU 79 Cb 0.22 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.60 0.68 0.07 0.62 0.00 -0.01 -4.96 105.19 103.20 2khp n GLY 80 Ca -0.05 -0.72 0.11 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 -0.87 0.60 -0.31 1.61 4.76 -1.18 -4.19 118.16 118.58 2khp n LYS 81 Ca 0.00 0.01 0.16 0.00 -2.87 0.00 0.00 58.31 55.61 2khp n LYS 81 Cb 0.43 -1.71 0.41 0.00 -1.84 0.00 0.00 35.03 32.32 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 0.61 -0.75 -0.35 3.38 -1.94 0.58 115.31 116.85 2khp h LEU 82 Ca 0.00 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2khp h LEU 82 Cb 0.98 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2khp h LEU 82 CO 0.00 0.22 0.39 -0.78 0.09 0.00 0.00 178.44 178.36 2khp h ASP 83 N 0.60 0.52 1.21 -0.43 3.58 -1.96 -0.54 116.42 119.39 2khp h ASP 83 Ca 0.54 0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.93 2khp h ASP 83 Cb 1.06 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 2khp h ASP 83 CO -0.29 0.29 -0.58 0.28 -2.88 0.00 0.00 179.24 176.06 2khp h SER 84 N 0.65 0.00 -0.39 2.28 0.02 -1.20 -2.09 113.55 112.82 2khp h SER 84 Ca 0.37 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 2khp h SER 84 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2khp h SER 84 CO -0.27 0.58 0.01 -0.07 -1.14 0.00 0.00 176.83 175.94 2khp h LEU 85 N 0.00 0.67 0.00 5.07 -0.00 0.12 0.15 115.31 121.32 2khp h LEU 85 Ca -0.01 -0.30 -0.14 0.00 -0.00 0.00 0.00 57.88 57.44 2khp h LEU 85 Cb 1.34 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 2khp h LEU 85 CO 0.08 0.80 -0.75 0.17 -0.00 0.00 0.00 178.44 178.74 2khp h LEU 86 N 0.51 0.00 -0.02 1.67 8.10 -1.24 0.26 115.31 124.58 2khp h LEU 86 Ca 0.11 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.96 2khp h LEU 86 Cb 0.46 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.69 2khp h LEU 86 CO 0.02 0.61 -0.54 0.11 -4.11 0.00 0.00 178.44 174.52 2khp h LYS 87 N 0.00 0.40 0.07 0.17 1.57 -1.26 -3.25 116.57 114.27 2khp h LYS 87 Ca -0.04 -0.41 -0.32 0.00 -1.87 0.00 0.00 60.65 58.02 2khp h LYS 87 Cb 1.49 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 2khp h LYS 87 CO 0.07 1.07 -1.79 1.79 -0.57 0.00 0.00 179.45 180.02 2khp h THR 88 N -0.11 0.81 0.00 -0.16 1.35 -0.80 -3.36 112.91 110.64 2khp h THR 88 Ca -0.06 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.22 2khp h THR 88 Cb 1.24 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 2khp h THR 88 CO 0.11 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 2khp n GLY 89 N 1.74 0.64 3.78 5.82 0.00 0.90 -4.91 105.19 113.16 2khp n GLY 89 Ca -0.23 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.14 1.08 -0.45 1.61 0.00 -1.15 -1.71 119.74 117.98 2khp s LYS 90 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 55.97 55.11 2khp s LYS 90 Cb 0.00 0.34 0.03 0.00 0.00 0.00 0.00 37.83 38.20 2khp s LYS 90 CO 0.00 -0.50 0.72 -0.51 0.00 0.00 0.00 175.35 175.06 2khp s LEU 91 N -3.11 4.37 0.00 2.77 1.43 -1.26 -4.51 118.68 118.38 2khp s LEU 91 Ca 0.16 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 2khp s LEU 91 Cb -0.01 -2.85 0.32 0.00 0.03 0.00 0.00 46.19 43.68 2khp s LEU 91 CO 0.02 -0.86 0.79 -0.38 0.23 0.00 0.00 176.35 176.15