#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 2.56 0.00 1.61 0.04 -1.26 -4.65 135.00 133.31 2khp s PRO 2 Ca 0.00 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2khp s PRO 2 Cb 0.00 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.57 2khp s PRO 2 CO 0.00 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.15 2khp n GLY 3 N 6.70 2.06 3.61 0.56 0.00 -1.26 -5.09 105.19 111.77 2khp n GLY 3 Ca 0.38 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 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 1.89 5.92 0.26 1.61 0.01 -1.26 -4.94 113.70 117.19 2khp s SER 4 Ca 0.00 1.47 -0.06 0.00 1.31 0.00 0.00 55.95 58.67 2khp s SER 4 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2khp s SER 4 CO 0.00 -1.65 0.37 -0.04 0.41 0.00 0.00 173.24 172.33 2khp s MET 5 N 5.56 1.56 -0.01 12.44 -1.94 -1.24 -4.70 119.30 130.97 2khp s MET 5 Ca 0.82 -1.53 -0.04 0.00 -1.71 0.00 0.00 55.69 53.22 2khp s MET 5 Cb -0.25 0.40 -0.00 0.00 2.01 0.00 0.00 34.83 36.99 2khp s MET 5 CO 0.34 -0.61 0.08 0.14 -0.01 0.00 0.00 175.02 174.95 2khp s VAL 6 N -3.77 0.06 -0.07 -6.03 -7.23 -1.24 -4.95 120.40 97.17 2khp s VAL 6 Ca 0.30 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 2khp s VAL 6 Cb 0.02 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 2khp s VAL 6 CO 0.14 -0.28 1.64 -1.81 -0.31 0.00 0.00 175.10 174.48 2khp s ASP 7 N -0.92 6.65 -0.16 4.85 1.01 -1.26 -4.81 116.67 122.02 2khp s ASP 7 Ca -0.10 2.17 -0.07 0.00 0.71 0.00 0.00 52.55 55.27 2khp s ASP 7 Cb -0.06 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2khp s ASP 7 CO 0.00 -0.95 0.06 -0.69 0.21 0.00 0.00 175.17 173.80 2khp s VAL 8 N 4.14 4.77 -0.06 -1.27 1.01 -1.26 -3.53 120.40 124.20 2khp s VAL 8 Ca 0.73 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.69 2khp s VAL 8 Cb -0.32 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2khp s VAL 8 CO 0.29 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 175.11 2khp s ILE 9 N 0.06 1.32 -0.04 2.22 1.01 -0.54 -0.27 121.20 124.96 2khp s ILE 9 Ca 0.05 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2khp s ILE 9 Cb -0.12 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 2khp s ILE 9 CO 0.01 0.39 -0.23 -0.51 0.00 0.00 0.00 174.94 174.60 2khp s ILE 10 N 0.39 1.87 -0.24 2.92 2.07 0.33 -0.39 121.20 128.14 2khp s ILE 10 Ca -0.11 -0.98 -0.03 0.00 -1.41 0.00 0.00 60.65 58.12 2khp s ILE 10 Cb -0.14 -1.58 0.01 0.00 0.13 0.00 0.00 42.46 40.88 2khp s ILE 10 CO 0.04 0.52 -0.04 -0.31 -1.91 0.00 0.00 174.94 173.24 2khp s TYR 11 N -0.22 3.01 0.09 3.50 1.51 0.17 -1.04 117.35 124.38 2khp s TYR 11 Ca -0.00 -1.16 -0.12 0.00 -1.01 0.00 0.00 57.07 54.78 2khp s TYR 11 Cb -0.12 -2.11 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 2khp s TYR 11 CO 0.02 -0.62 0.28 -0.08 -1.11 0.00 0.00 175.55 174.04 2khp s THR 12 N 1.43 0.11 0.30 -0.71 -1.32 -0.57 -1.53 115.64 113.36 2khp s THR 12 Ca 0.04 -0.90 0.10 0.00 -1.21 0.00 0.00 61.69 59.71 2khp s THR 12 Cb -0.15 -1.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.57 2khp s THR 12 CO -0.03 -0.50 -0.01 0.00 -2.21 0.00 0.00 174.62 171.87 2khp s ARG 13 N -3.63 2.15 0.00 7.08 1.70 -1.26 -3.89 118.95 121.10 2khp s ARG 13 Ca 0.03 -1.60 0.14 0.00 -0.47 0.00 0.00 55.73 53.83 2khp s ARG 13 Cb 0.03 -2.03 0.68 0.00 -0.57 0.00 0.00 34.95 33.05 2khp s ARG 13 CO -0.10 0.25 1.43 -0.35 -1.08 0.00 0.00 175.30 175.45 2khp n PRO 14 N -0.91 0.11 -2.06 3.89 -0.04 -1.26 -2.89 135.00 131.83 2khp n PRO 14 Ca -0.05 0.20 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 2khp n PRO 14 Cb 0.61 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.04 6.21 2.74 0.55 0.00 -1.26 -4.97 105.19 108.42 2khp n GLY 15 Ca 0.05 -2.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.19 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 8.22 -0.01 -0.21 0.00 0.13 -1.93 -3.05 132.00 135.14 2khp h PRO 17 Ca -0.16 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.03 2khp h PRO 17 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2khp h PRO 17 CO 0.36 0.48 0.30 1.88 -0.23 0.00 0.00 178.00 180.78 2khp h TYR 18 N -0.50 0.00 0.08 1.56 0.05 -2.00 -1.62 116.97 114.54 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 -0.04 0.00 -1.05 0.00 0.00 178.16 177.17 2khp h ALA 20 N 0.05 1.50 -0.17 0.00 0.00 -1.25 -1.22 119.26 118.17 2khp h ALA 20 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2khp h ALA 20 Cb 0.57 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2khp h ALA 20 CO 0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.07 2khp h ARG 21 N 0.69 -0.13 -0.46 0.00 2.47 -1.54 0.19 114.38 115.60 2khp h ARG 21 Ca 0.53 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.25 2khp h ARG 21 Cb 0.80 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 2khp h ARG 21 CO -0.38 -0.09 0.26 0.00 0.56 0.00 0.00 179.97 180.32 2khp h ALA 22 N 0.98 0.59 0.62 0.04 0.00 -1.26 -1.18 119.26 119.06 2khp h ALA 22 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2khp h ALA 22 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2khp h ALA 22 CO -0.25 0.11 -0.33 0.87 0.00 0.00 0.00 179.25 179.65 2khp h LYS 23 N 0.61 -0.84 -0.27 0.00 1.57 -0.78 -0.48 116.57 116.38 2khp h LYS 23 Ca 0.16 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 2khp h LYS 23 Cb 0.04 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 2khp h LYS 23 CO -0.03 -0.56 -0.14 0.00 -0.57 0.00 0.00 179.45 178.15 2khp h ALA 24 N -0.51 0.06 -0.88 3.86 0.00 -0.58 -0.10 119.26 121.12 2khp h ALA 24 Ca -0.08 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2khp h ALA 24 Cb 0.69 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2khp h ALA 24 CO 0.12 -0.55 0.53 1.25 0.00 0.00 0.00 179.25 180.60 2khp h LEU 25 N -0.11 0.79 -1.05 0.00 6.46 -1.12 -0.25 115.31 120.04 2khp h LEU 25 Ca 0.14 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.87 2khp h LEU 25 Cb 0.33 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2khp h LEU 25 CO -0.34 0.47 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.81 2khp h LEU 26 N 0.91 0.58 -0.79 2.25 3.38 -0.01 -2.39 115.31 119.24 2khp h LEU 26 Ca 0.41 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 2khp h LEU 26 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2khp h LEU 26 CO -0.22 0.70 -0.38 0.00 0.09 0.00 0.00 178.44 178.62 2khp h ALA 27 N 1.37 0.94 -0.31 1.53 0.00 0.37 -2.83 119.26 120.33 2khp h ALA 27 Ca 0.11 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2khp h ALA 27 Cb 0.46 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2khp h ALA 27 CO 0.02 0.47 -0.20 -0.09 0.00 0.00 0.00 179.25 179.45 2khp h ARG 28 N 0.00 -0.16 0.00 0.00 2.43 -0.56 0.18 114.38 116.27 2khp h ARG 28 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2khp h ARG 28 Cb 0.97 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2khp h ARG 28 CO 0.05 -0.11 0.00 1.57 -1.51 0.00 0.00 179.97 179.97 2khp h LYS 29 N -0.17 0.00 0.00 0.20 2.10 -1.66 -3.46 116.57 113.59 2khp h LYS 29 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2khp h LYS 29 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2khp h LYS 29 CO -0.41 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.45 2khp n GLY 30 N 0.19 0.89 3.63 0.07 0.00 0.64 -5.04 105.19 105.58 2khp n GLY 30 Ca 0.02 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.31 0.27 4.61 0.00 -1.07 -4.99 121.76 121.90 2khp s ALA 31 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 2khp s ALA 31 Cb 0.00 -3.82 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 2khp s ALA 31 CO 0.00 -1.87 1.00 -1.83 0.00 0.00 0.00 175.76 173.06 2khp s GLU 32 N 4.47 4.73 -0.05 0.00 -1.05 -1.26 -4.43 118.70 121.11 2khp s GLU 32 Ca 0.66 1.58 -0.15 0.00 -0.15 0.00 0.00 54.97 56.91 2khp s GLU 32 Cb -0.22 -3.17 0.03 0.00 -0.44 0.00 0.00 34.13 30.33 2khp s GLU 32 CO 0.27 0.36 0.34 -0.59 0.95 0.00 0.00 175.26 176.59 2khp s PHE 33 N -1.24 -0.26 -0.28 4.83 -0.12 -1.26 -4.65 117.98 115.00 2khp s PHE 33 Ca 0.44 0.49 -0.29 0.00 -0.05 0.00 0.00 56.93 57.52 2khp s PHE 33 Cb -0.27 0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 2khp s PHE 33 CO 0.34 -0.34 1.13 1.21 -0.05 0.00 0.00 175.22 177.50 2khp s ASN 34 N -0.91 6.93 -0.19 1.98 2.47 0.63 -4.88 114.94 120.97 2khp s ASN 34 Ca -0.10 1.22 -0.24 0.00 0.42 0.00 0.00 52.86 54.16 2khp s ASN 34 Cb -0.04 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 2khp s ASN 34 CO 0.03 -0.85 0.79 -0.70 -3.72 0.00 0.00 177.10 172.65 2khp s GLU 35 N 3.62 4.26 0.03 0.43 2.12 -1.26 -0.51 118.70 127.38 2khp s GLU 35 Ca 0.48 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.76 2khp s GLU 35 Cb -0.15 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 2khp s GLU 35 CO 0.14 -0.34 -0.11 0.42 -0.54 0.00 0.00 175.26 174.83 2khp s ILE 36 N 2.23 0.82 0.14 -3.70 1.01 -0.21 -4.98 121.20 116.51 2khp s ILE 36 Ca 0.36 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 2khp s ILE 36 Cb -0.16 -0.76 -0.06 0.00 0.01 0.00 0.00 42.46 41.49 2khp s ILE 36 CO 0.11 -0.04 0.39 -1.81 0.00 0.00 0.00 174.94 173.59 2khp s ASP 37 N -0.96 6.53 -0.06 3.58 1.01 -1.26 -1.50 116.67 124.00 2khp s ASP 37 Ca -0.01 0.65 0.02 0.00 0.71 0.00 0.00 52.55 53.92 2khp s ASP 37 Cb -0.07 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 2khp s ASP 37 CO 0.01 0.07 -0.04 0.00 0.21 0.00 0.00 175.17 175.42 2khp n ALA 38 N 0.23 1.86 0.27 5.23 0.00 -1.25 -4.57 120.51 122.27 2khp n ALA 38 Ca -0.03 -0.32 0.17 0.00 0.00 0.00 0.00 53.44 53.26 2khp n ALA 38 Cb 0.52 0.27 0.84 0.00 0.00 0.00 0.00 19.45 21.08 2khp n ALA 38 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2khp h SER 39 N 0.00 0.00 -1.00 0.00 0.02 -1.92 -2.63 113.55 108.02 2khp h SER 39 Ca -0.15 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.99 2khp h SER 39 Cb 1.27 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.71 2khp h SER 39 CO -0.01 0.00 0.61 0.00 -1.14 0.00 0.00 176.83 176.29 2khp h ALA 40 N 2.03 1.75 -2.31 3.77 0.00 -1.97 -3.43 119.26 119.11 2khp h ALA 40 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 2khp h ALA 40 Cb 0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 2khp h ALA 40 CO 0.00 -0.12 -0.70 0.95 0.00 0.00 0.00 179.25 179.38 2khp s THR 41 N -5.80 0.63 0.16 0.00 -4.23 -1.01 -5.06 115.64 100.33 2khp s THR 41 Ca -0.11 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 58.46 2khp s THR 41 Cb 0.25 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2khp s THR 41 CO 0.80 -0.85 1.50 1.55 -0.54 0.00 0.00 174.62 177.08 2khp h PRO 42 N 3.12 0.87 0.03 3.99 0.13 -1.83 -2.80 132.00 135.51 2khp h PRO 42 Ca -0.35 -0.46 -0.00 0.00 -0.87 0.00 0.00 66.00 64.32 2khp h PRO 42 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2khp h PRO 42 CO 0.63 1.10 -0.01 1.49 -0.23 0.00 0.00 178.00 180.98 2khp h GLU 43 N 0.71 -0.03 -0.94 0.86 4.81 -1.97 0.24 114.58 118.25 2khp h GLU 43 Ca 0.06 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.45 2khp h GLU 43 Cb 0.97 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.28 2khp h GLU 43 CO 0.09 0.45 0.60 -0.07 -0.73 0.00 0.00 179.01 179.36 2khp h LEU 44 N -0.54 0.71 0.00 1.64 3.38 -1.80 0.19 115.31 118.89 2khp h LEU 44 Ca -0.00 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2khp h LEU 44 Cb 0.50 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2khp h LEU 44 CO 0.01 0.33 -1.02 -0.09 0.09 0.00 0.00 178.44 177.75 2khp h ARG 45 N 0.73 0.00 0.15 1.13 2.43 -1.31 -3.19 114.38 114.33 2khp h ARG 45 Ca 0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 2khp h ARG 45 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2khp h ARG 45 CO -0.26 0.50 -0.07 0.00 -1.51 0.00 0.00 179.97 178.63 2khp h ALA 46 N 1.35 -0.21 -0.27 2.80 0.00 0.16 0.23 119.26 123.32 2khp h ALA 46 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2khp h ALA 46 Cb 1.57 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2khp h ALA 46 CO 0.07 -0.36 0.15 1.05 0.00 0.00 0.00 179.25 180.15 2khp h GLU 47 N -0.72 0.36 0.04 0.00 4.11 -0.89 0.25 114.58 117.74 2khp h GLU 47 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2khp h GLU 47 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2khp h GLU 47 CO 0.03 0.27 -0.02 0.52 0.07 0.00 0.00 179.01 179.88 2khp h MET 48 N 0.37 -0.05 0.00 1.06 2.86 -1.54 -3.26 114.93 114.36 2khp h MET 48 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2khp h MET 48 Cb 0.01 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2khp h MET 48 CO -0.02 0.52 -0.03 -0.56 1.06 0.00 0.00 176.91 177.89 2khp h GLN 49 N -0.95 0.00 0.00 1.72 3.07 -0.40 -1.14 115.11 117.41 2khp h GLN 49 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.68 2khp h GLN 49 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 2khp h GLN 49 CO 0.01 0.03 -0.24 1.49 0.09 0.00 0.00 178.83 180.21 2khp h GLU 50 N 0.00 0.00 0.14 0.06 4.57 -0.56 0.19 114.58 118.98 2khp h GLU 50 Ca -0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 2khp h GLU 50 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2khp h GLU 50 CO 0.00 0.24 -1.37 0.00 -1.18 0.00 0.00 179.01 176.70 2khp h ARG 51 N 0.00 0.29 0.14 1.92 3.08 -1.25 -3.34 114.38 115.21 2khp h ARG 51 Ca -0.00 -0.49 -0.32 0.00 0.07 0.00 0.00 59.98 59.24 2khp h ARG 51 Cb 0.79 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 2khp h ARG 51 CO 0.03 1.20 -1.58 1.03 -1.07 0.00 0.00 179.97 179.58 2khp h SER 52 N 0.08 0.45 -0.45 7.04 0.87 -1.47 -3.49 113.55 116.59 2khp h SER 52 Ca -0.18 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2khp h SER 52 Cb 2.01 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 2khp h SER 52 CO 0.20 1.53 0.00 0.61 -0.53 0.00 0.00 176.83 178.63 2khp n GLY 53 N 1.71 0.86 3.56 5.77 0.00 0.65 -5.07 105.19 112.68 2khp n GLY 53 Ca -0.18 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.67 1.85 0.00 1.61 1.81 -1.19 -5.07 118.95 114.28 2khp s ARG 54 Ca 0.00 -1.57 0.00 0.00 -1.72 0.00 0.00 55.73 52.44 2khp s ARG 54 Cb 0.00 0.48 0.00 0.00 -0.45 0.00 0.00 34.95 34.98 2khp s ARG 54 CO 0.00 -0.79 0.77 0.27 -0.68 0.00 0.00 175.30 174.88 2khp n ASN 55 N -1.11 0.00 -3.64 0.23 6.94 -1.26 -4.77 115.26 111.65 2khp n ASN 55 Ca -0.01 0.77 -0.09 0.00 -0.02 0.00 0.00 54.58 55.23 2khp n ASN 55 Cb 0.61 -0.27 -0.07 0.00 -2.36 0.00 0.00 39.78 37.69 2khp n ASN 55 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2khp s THR 56 N -2.10 0.00 0.11 5.53 2.01 -1.26 -4.80 115.64 115.13 2khp s THR 56 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 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 0.17 0.72 -0.69 0.00 0.00 174.62 174.82 2khp s PHE 57 N 1.16 0.35 0.05 4.92 -0.71 -1.26 -5.09 117.98 117.39 2khp s PHE 57 Ca -0.06 -0.77 -0.31 0.00 -1.04 0.00 0.00 56.93 54.75 2khp s PHE 57 Cb -0.05 -0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.55 2khp s PHE 57 CO -0.12 -0.57 1.41 -1.25 -1.34 0.00 0.00 175.22 173.35 2khp s PRO 58 N -3.92 4.29 -0.17 1.99 0.04 -1.26 -4.84 135.00 131.13 2khp s PRO 58 Ca 0.11 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 2khp s PRO 58 Cb 0.05 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2khp s PRO 58 CO -0.06 -0.53 0.00 -0.65 0.04 0.00 0.00 177.00 175.80 2khp s GLN 59 N 1.94 3.77 -0.37 4.56 1.11 -0.58 -2.97 119.66 127.12 2khp s GLN 59 Ca 0.65 -0.46 -0.00 0.00 0.01 0.00 0.00 55.36 55.56 2khp s GLN 59 Cb -0.34 -3.04 0.10 0.00 -1.01 0.00 0.00 33.01 28.72 2khp s GLN 59 CO 0.28 0.22 0.12 0.42 0.01 0.00 0.00 175.29 176.34 2khp s ILE 60 N 0.46 2.85 -0.38 1.08 1.09 0.49 -0.65 121.20 126.13 2khp s ILE 60 Ca -0.01 -2.11 -0.18 0.00 -1.10 0.00 0.00 60.65 57.26 2khp s ILE 60 Cb -0.14 -2.97 0.01 0.00 -1.06 0.00 0.00 42.46 38.30 2khp s ILE 60 CO 0.02 -0.59 0.48 -0.36 -0.10 0.00 0.00 174.94 174.39 2khp s PHE 61 N 1.06 3.17 -0.25 3.97 0.08 0.47 -0.29 117.98 126.19 2khp s PHE 61 Ca 0.08 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 2khp s PHE 61 Cb -0.21 -2.93 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 2khp s PHE 61 CO -0.05 -0.61 -0.07 0.42 -0.10 0.00 0.00 175.22 174.81 2khp s ILE 62 N 2.32 2.75 0.00 0.64 1.01 -0.45 -1.47 121.20 126.00 2khp s ILE 62 Ca 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2khp s ILE 62 Cb -0.16 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2khp s ILE 62 CO 0.14 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2khp n GLY 63 N 4.64 1.23 0.03 6.18 0.00 -1.23 -1.56 105.19 114.48 2khp n GLY 63 Ca -0.16 0.29 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 -1.26 0.00 0.00 0.00 173.32 172.06 2khp n SER 64 N 10.53 1.93 -4.33 1.61 2.88 -1.18 -4.94 113.62 120.12 2khp n SER 64 Ca 0.00 -2.20 -0.25 0.00 -1.33 0.00 0.00 58.87 55.09 2khp n SER 64 Cb 0.00 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 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 -1.37 1.92 -0.55 2.46 1.01 -0.60 -5.10 120.40 118.16 2khp s VAL 65 Ca 0.08 -1.71 -0.14 0.00 0.00 0.00 0.00 61.98 60.20 2khp s VAL 65 Cb 0.07 -1.77 0.14 0.00 0.00 0.00 0.00 36.38 34.82 2khp s VAL 65 CO 0.01 -0.08 0.49 -2.28 0.00 0.00 0.00 175.10 173.24 2khp s HIS 66 N -1.35 3.33 0.00 5.22 2.46 -1.26 -1.34 115.29 122.35 2khp s HIS 66 Ca 0.11 -1.48 0.00 0.00 0.47 0.00 0.00 55.06 54.17 2khp s HIS 66 Cb -0.09 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 2khp s HIS 66 CO 0.06 -1.01 0.60 0.28 -2.47 0.00 0.00 174.74 172.19 2khp n VAL 67 N 5.06 0.00 0.00 0.89 0.31 0.60 -4.98 118.33 120.20 2khp n VAL 67 Ca -0.10 1.10 0.00 0.00 -0.01 0.00 0.00 64.34 65.33 2khp n VAL 67 Cb 0.41 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 -0.77 -0.54 0.00 2.92 0.00 -1.23 -4.90 105.19 100.68 2khp n GLY 68 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 5.42 0.31 -0.02 0.00 -1.16 -0.38 105.19 109.36 2khp n GLY 69 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 0.79 0.01 -0.49 0.00 3.58 -1.95 -0.85 116.42 117.51 2khp h ASP 71 Ca 0.18 -0.47 -0.10 0.00 0.42 0.00 0.00 57.03 57.06 2khp h ASP 71 Cb 0.19 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2khp h ASP 71 CO -0.01 0.48 -0.08 0.44 -2.88 0.00 0.00 179.24 177.19 2khp h ASP 72 N -0.45 0.95 -0.36 2.28 5.19 -1.87 0.20 116.42 122.35 2khp h ASP 72 Ca 0.00 -0.29 -0.05 0.00 -0.62 0.00 0.00 57.03 56.07 2khp h ASP 72 Cb 0.47 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2khp h ASP 72 CO 0.00 1.05 0.04 0.25 -3.12 0.00 0.00 179.24 177.46 2khp h LEU 73 N 0.86 0.59 -0.75 1.55 7.12 -0.36 0.94 115.31 125.26 2khp h LEU 73 Ca 0.14 -0.28 -0.13 0.00 0.13 0.00 0.00 57.88 57.74 2khp h LEU 73 Cb 0.61 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 2khp h LEU 73 CO 0.04 0.72 -0.53 1.88 -0.13 0.00 0.00 178.44 180.42 2khp h TYR 74 N 0.44 0.32 -0.03 1.25 -1.99 -1.06 -0.17 116.97 115.73 2khp h TYR 74 Ca 0.11 -0.11 -0.18 0.00 2.00 0.00 0.00 58.73 60.54 2khp h TYR 74 Cb 0.39 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 2khp h TYR 74 CO 0.03 0.73 -0.78 0.00 -0.00 0.00 0.00 178.16 178.14 2khp h ALA 75 N 1.25 0.60 0.00 3.88 0.00 -0.78 -2.81 119.26 121.40 2khp h ALA 75 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2khp h ALA 75 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2khp h ALA 75 CO 0.08 0.82 -0.03 -0.07 0.00 0.00 0.00 179.25 180.05 2khp h LEU 76 N 0.18 0.02 -1.92 0.00 -0.00 -0.70 -3.29 115.31 109.59 2khp h LEU 76 Ca -0.03 -0.92 0.11 0.00 -0.00 0.00 0.00 57.88 57.04 2khp h LEU 76 Cb 1.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 42.00 2khp h LEU 76 CO 0.12 0.95 0.32 1.05 -0.00 0.00 0.00 178.44 180.88 2khp h GLU 77 N -0.90 0.08 -0.03 1.13 -0.00 -1.12 0.13 114.58 113.87 2khp h GLU 77 Ca -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 59.32 2khp h GLU 77 Cb 0.95 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.68 2khp h GLU 77 CO 0.01 0.06 -0.11 0.22 -0.00 0.00 0.00 179.01 179.19 2khp h ASP 78 N 0.09 0.05 0.30 3.06 3.58 -1.56 -2.42 116.42 119.51 2khp h ASP 78 Ca 0.21 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2khp h ASP 78 Cb 0.73 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 2khp h ASP 78 CO -0.02 0.16 -1.72 -0.62 -2.88 0.00 0.00 179.24 174.16 2khp n GLU 79 N -4.38 0.64 -1.48 0.28 1.02 0.25 -4.99 120.64 111.99 2khp n GLU 79 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2khp n GLU 79 Cb 0.20 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 1.27 0.49 0.15 0.62 0.00 -0.01 -4.95 105.19 102.75 2khp n GLY 80 Ca -0.04 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.15 2khp n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khp h LYS 81 N 0.00 0.00 -0.89 1.61 1.79 -1.83 -3.31 116.57 113.94 2khp h LYS 81 Ca 0.00 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.69 2khp h LYS 81 Cb 0.57 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 2khp h LYS 81 CO 0.00 0.24 0.60 -0.07 -1.08 0.00 0.00 179.45 179.14 2khp h LEU 82 N 0.00 0.30 -0.50 2.94 3.38 -1.93 0.31 115.31 119.81 2khp h LEU 82 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2khp h LEU 82 Cb 1.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2khp h LEU 82 CO 0.03 0.11 0.28 -0.78 0.09 0.00 0.00 178.44 178.17 2khp h ASP 83 N 0.29 0.62 1.32 -0.43 3.58 -1.96 -0.55 116.42 119.30 2khp h ASP 83 Ca 0.46 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.69 2khp h ASP 83 Cb 1.31 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 2khp h ASP 83 CO -0.14 0.53 -0.69 -1.28 -2.88 0.00 0.00 179.24 174.78 2khp h SER 84 N 0.66 0.00 -0.32 2.28 0.87 -1.15 -2.63 113.55 113.26 2khp h SER 84 Ca 0.18 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.59 2khp h SER 84 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2khp h SER 84 CO -0.03 0.62 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.45 2khp h LEU 85 N 0.00 0.92 0.00 2.23 -0.00 -0.19 0.18 115.31 118.45 2khp h LEU 85 Ca -0.02 -0.41 -0.07 0.00 -0.00 0.00 0.00 57.88 57.38 2khp h LEU 85 Cb 1.49 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2khp h LEU 85 CO 0.08 1.18 -0.54 0.17 -0.00 0.00 0.00 178.44 179.32 2khp h LEU 86 N 0.71 0.00 0.05 1.67 8.10 -1.17 0.24 115.31 124.91 2khp h LEU 86 Ca 0.06 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.99 2khp h LEU 86 Cb 0.94 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.17 2khp h LEU 86 CO 0.09 0.30 -0.29 0.11 -4.11 0.00 0.00 178.44 174.53 2khp h LYS 87 N 0.00 0.11 0.13 0.17 1.57 -1.35 -3.29 116.57 113.90 2khp h LYS 87 Ca -0.02 -0.19 -0.35 0.00 -1.87 0.00 0.00 60.65 58.21 2khp h LYS 87 Cb 1.25 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2khp h LYS 87 CO 0.03 1.08 -1.91 1.79 -0.57 0.00 0.00 179.45 179.87 2khp h THR 88 N -0.76 0.72 0.00 -0.16 1.35 -1.08 -3.29 112.91 109.69 2khp h THR 88 Ca -0.05 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 2khp h THR 88 Cb 1.22 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 2khp h THR 88 CO 0.06 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 2khp n GLY 89 N 1.92 0.68 3.36 5.82 0.00 0.85 -4.82 105.19 113.00 2khp n GLY 89 Ca -0.29 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.78 1.39 -0.28 1.61 3.01 -1.24 -3.10 119.74 120.36 2khp s LYS 90 Ca 0.00 -1.51 -0.21 0.00 -1.01 0.00 0.00 55.97 53.24 2khp s LYS 90 Cb 0.00 0.36 -0.01 0.00 -1.01 0.00 0.00 37.83 37.16 2khp s LYS 90 CO 0.00 -0.52 0.65 -0.51 0.51 0.00 0.00 175.35 175.48 2khp s LEU 91 N -3.12 4.10 0.00 3.17 1.43 -1.26 -4.56 118.68 118.44 2khp s LEU 91 Ca 0.32 0.60 0.23 0.00 -1.03 0.00 0.00 54.13 54.26 2khp s LEU 91 Cb 0.04 -2.87 0.19 0.00 0.03 0.00 0.00 46.19 43.57 2khp s LEU 91 CO 0.12 -0.44 1.24 -0.38 0.23 0.00 0.00 176.35 177.12