#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 0.50 0.00 1.61 0.13 -2.05 -3.47 132.00 128.72 2khp h PRO 2 Ca 0.00 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2khp h PRO 2 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2khp h PRO 2 CO 0.00 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 2khp n GLY 3 N 0.02 0.90 3.43 1.56 0.00 -1.26 -5.15 105.19 104.69 2khp n GLY 3 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.28 2.23 0.02 1.61 0.15 -1.26 -5.17 113.70 110.00 2khp s SER 4 Ca 0.00 -1.36 -0.09 0.00 0.70 0.00 0.00 55.95 55.20 2khp s SER 4 Cb 0.00 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2khp s SER 4 CO 0.00 -0.60 0.19 -0.32 1.20 0.00 0.00 173.24 173.71 2khp s MET 5 N -3.90 0.61 0.05 5.44 1.75 -1.26 -4.82 119.30 117.17 2khp s MET 5 Ca 0.36 -0.48 0.08 0.00 -1.25 0.00 0.00 55.69 54.39 2khp s MET 5 Cb 0.08 0.25 -0.03 0.00 2.84 0.00 0.00 34.83 37.98 2khp s MET 5 CO 0.15 -0.16 -0.22 0.14 -0.65 0.00 0.00 175.02 174.27 2khp s VAL 6 N -1.94 1.79 -0.20 10.11 -7.23 -1.25 -5.04 120.40 116.64 2khp s VAL 6 Ca -0.10 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.49 2khp s VAL 6 Cb -0.04 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2khp s VAL 6 CO -0.01 0.21 1.71 -1.81 -0.31 0.00 0.00 175.10 174.90 2khp s ASP 7 N -1.28 6.27 -0.22 4.85 1.01 -1.26 -4.74 116.67 121.30 2khp s ASP 7 Ca 0.08 1.72 -0.10 0.00 0.71 0.00 0.00 52.55 54.97 2khp s ASP 7 Cb -0.09 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2khp s ASP 7 CO 0.02 -1.33 0.14 -0.69 0.21 0.00 0.00 175.17 173.52 2khp s VAL 8 N 5.52 5.29 -0.05 -1.27 1.01 -1.26 -3.14 120.40 126.49 2khp s VAL 8 Ca 0.76 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.95 2khp s VAL 8 Cb -0.27 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2khp s VAL 8 CO 0.31 0.38 -0.24 -0.63 0.00 0.00 0.00 175.10 174.92 2khp s ILE 9 N 0.81 1.98 -0.06 2.22 1.01 -0.27 -1.09 121.20 125.80 2khp s ILE 9 Ca 0.07 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.74 2khp s ILE 9 Cb -0.13 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 2khp s ILE 9 CO 0.02 0.55 -0.21 -0.51 0.00 0.00 0.00 174.94 174.80 2khp s ILE 10 N -0.18 1.72 -0.26 2.92 2.07 -0.43 -0.36 121.20 126.68 2khp s ILE 10 Ca -0.02 -0.86 -0.05 0.00 -1.41 0.00 0.00 60.65 58.30 2khp s ILE 10 Cb -0.13 -1.47 -0.00 0.00 0.13 0.00 0.00 42.46 40.99 2khp s ILE 10 CO 0.03 0.48 0.03 -0.31 -1.91 0.00 0.00 174.94 173.26 2khp s TYR 11 N 0.06 3.07 0.04 3.50 1.51 -0.49 -1.11 117.35 123.93 2khp s TYR 11 Ca -0.07 -0.92 -0.04 0.00 -1.01 0.00 0.00 57.07 55.04 2khp s TYR 11 Cb -0.14 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 2khp s TYR 11 CO 0.04 -0.54 0.05 0.95 -1.11 0.00 0.00 175.55 174.94 2khp s THR 12 N 1.50 0.15 0.19 -0.71 -4.23 -0.47 -1.25 115.64 110.83 2khp s THR 12 Ca 0.04 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2khp s THR 12 Cb -0.16 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 2khp s THR 12 CO 0.00 -0.70 0.03 0.00 -0.54 0.00 0.00 174.62 173.41 2khp s ARG 13 N -2.91 2.48 -0.82 3.99 1.70 -1.26 -4.03 118.95 118.10 2khp s ARG 13 Ca -0.02 -1.13 -0.23 0.00 -0.47 0.00 0.00 55.73 53.88 2khp s ARG 13 Cb 0.01 -2.37 -0.16 0.00 -0.57 0.00 0.00 34.95 31.86 2khp s ARG 13 CO -0.06 0.44 1.91 -0.35 -1.08 0.00 0.00 175.30 176.16 2khp n PRO 14 N -0.36 1.43 0.00 3.89 -0.04 -1.26 -3.72 135.00 134.94 2khp n PRO 14 Ca -0.09 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 2khp n PRO 14 Cb 0.56 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 4.85 -0.24 3.35 0.55 0.00 -1.26 -5.17 105.19 107.27 2khp n GLY 15 Ca 0.48 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 7.53 0.36 -0.95 0.00 0.13 -2.00 -2.95 132.00 134.13 2khp h PRO 17 Ca -0.27 -0.19 0.22 0.00 -0.87 0.00 0.00 66.00 64.89 2khp h PRO 17 Cb 1.16 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 2khp h PRO 17 CO 0.20 0.75 0.62 1.88 -0.23 0.00 0.00 178.00 181.22 2khp h TYR 18 N -0.01 0.59 0.04 1.56 0.05 -1.98 -1.22 116.97 116.01 2khp h TYR 18 Ca 0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2khp h TYR 18 Cb 0.68 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2khp h TYR 18 CO 0.08 0.13 -0.02 0.00 -1.05 0.00 0.00 178.16 177.30 2khp h ALA 20 N 0.28 0.83 0.10 0.00 0.00 -1.08 0.90 119.26 120.30 2khp h ALA 20 Ca -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2khp h ALA 20 Cb 0.56 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2khp h ALA 20 CO 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 179.25 178.86 2khp h ARG 21 N 0.23 -0.13 0.45 0.00 2.47 -1.39 -0.59 114.38 115.41 2khp h ARG 21 Ca 0.38 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.10 2khp h ARG 21 Cb 0.64 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2khp h ARG 21 CO -0.51 0.04 -0.48 0.00 0.56 0.00 0.00 179.97 179.58 2khp h ALA 22 N 0.60 -1.12 -0.67 0.04 0.00 -0.86 0.22 119.26 117.47 2khp h ALA 22 Ca -0.01 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.84 2khp h ALA 22 Cb 0.23 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2khp h ALA 22 CO 0.02 -1.16 0.23 0.87 0.00 0.00 0.00 179.25 179.22 2khp h LYS 23 N -0.94 0.37 -0.01 0.00 1.57 -0.90 -0.92 116.57 115.75 2khp h LYS 23 Ca -0.06 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2khp h LYS 23 Cb 0.82 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2khp h LYS 23 CO -0.07 0.25 -0.14 0.00 -0.57 0.00 0.00 179.45 178.92 2khp h ALA 24 N 1.49 -0.16 -0.55 3.86 0.00 -0.75 -1.15 119.26 122.00 2khp h ALA 24 Ca 0.35 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.33 2khp h ALA 24 Cb 0.50 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2khp h ALA 24 CO -0.37 -0.63 0.27 1.25 0.00 0.00 0.00 179.25 179.76 2khp h LEU 25 N -0.23 0.36 0.25 0.00 6.46 -0.17 -1.69 115.31 120.28 2khp h LEU 25 Ca 0.05 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2khp h LEU 25 Cb 0.29 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 2khp h LEU 25 CO -0.14 0.24 -0.27 -0.07 -0.62 0.00 0.00 178.44 177.57 2khp h LEU 26 N 0.50 -0.75 -1.97 2.25 3.38 -0.79 -1.59 115.31 116.36 2khp h LEU 26 Ca 0.25 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.44 2khp h LEU 26 Cb 0.20 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2khp h LEU 26 CO -0.19 -0.39 0.37 0.00 0.09 0.00 0.00 178.44 178.31 2khp h ALA 27 N 0.07 2.44 0.00 1.53 0.00 -0.92 0.18 119.26 122.55 2khp h ALA 27 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2khp h ALA 27 Cb 0.53 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2khp h ALA 27 CO -0.08 -0.58 -0.13 -0.09 0.00 0.00 0.00 179.25 178.37 2khp h ARG 28 N 0.04 0.00 0.00 0.00 1.12 -0.34 -1.49 114.38 113.70 2khp h ARG 28 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 2khp h ARG 28 Cb 0.93 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 2khp h ARG 28 CO -0.01 0.13 -0.72 0.87 -3.11 0.00 0.00 179.97 177.12 2khp h LYS 29 N 0.00 0.00 0.00 0.20 1.57 -0.50 -3.48 116.57 114.36 2khp h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2khp h LYS 29 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2khp h LYS 29 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2khp n GLY 30 N 1.27 0.62 3.55 3.86 0.00 -0.56 -5.04 105.19 108.89 2khp n GLY 30 Ca 0.02 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 3.49 0.45 4.61 0.00 -1.22 -5.04 121.76 122.06 2khp s ALA 31 Ca 0.00 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 2khp s ALA 31 Cb 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 2khp s ALA 31 CO 0.00 -1.11 1.09 -1.83 0.00 0.00 0.00 175.76 173.91 2khp s GLU 32 N 2.10 3.88 -0.12 0.00 -1.05 -1.26 -4.48 118.70 117.77 2khp s GLU 32 Ca 0.13 1.58 -0.17 0.00 -0.15 0.00 0.00 54.97 56.36 2khp s GLU 32 Cb -0.16 -2.36 0.04 0.00 -0.44 0.00 0.00 34.13 31.21 2khp s GLU 32 CO 0.12 -0.40 0.44 -0.59 0.95 0.00 0.00 175.26 175.78 2khp s PHE 33 N -1.70 -0.44 -0.20 4.83 -0.12 -1.26 -4.66 117.98 114.43 2khp s PHE 33 Ca 0.63 0.98 -0.29 0.00 -0.05 0.00 0.00 56.93 58.20 2khp s PHE 33 Cb -0.23 0.17 -0.00 0.00 -0.63 0.00 0.00 43.02 42.33 2khp s PHE 33 CO 0.28 -0.30 1.18 1.21 -0.05 0.00 0.00 175.22 177.54 2khp s ASN 34 N -0.25 6.98 -0.20 1.98 2.47 -0.25 -4.89 114.94 120.77 2khp s ASN 34 Ca -0.04 1.53 -0.24 0.00 0.42 0.00 0.00 52.86 54.53 2khp s ASN 34 Cb -0.03 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.21 2khp s ASN 34 CO 0.02 -0.76 0.78 -0.70 -3.72 0.00 0.00 177.10 172.73 2khp s GLU 35 N 3.45 4.23 0.05 0.43 -6.30 -1.26 -1.31 118.70 117.98 2khp s GLU 35 Ca 0.51 0.89 0.04 0.00 -2.50 0.00 0.00 54.97 53.91 2khp s GLU 35 Cb -0.19 -3.60 -0.02 0.00 0.00 0.00 0.00 34.13 30.32 2khp s GLU 35 CO 0.12 -0.38 -0.13 0.42 0.02 0.00 0.00 175.26 175.32 2khp s ILE 36 N 2.36 0.98 0.04 -3.70 1.01 -0.27 -4.99 121.20 116.63 2khp s ILE 36 Ca 0.35 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2khp s ILE 36 Cb -0.16 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2khp s ILE 36 CO 0.10 -0.12 0.01 -0.62 0.00 0.00 0.00 174.94 174.31 2khp s ASP 37 N -1.33 5.16 -0.00 3.58 2.15 -1.26 -1.36 116.67 123.60 2khp s ASP 37 Ca -0.01 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2khp s ASP 37 Cb -0.08 -1.32 -0.00 0.00 -0.30 0.00 0.00 42.92 41.21 2khp s ASP 37 CO 0.01 0.23 0.00 0.00 -0.17 0.00 0.00 175.17 175.25 2khp n ALA 38 N 1.02 1.99 0.33 3.66 0.00 -1.26 -4.63 120.51 121.62 2khp n ALA 38 Ca -0.13 -0.02 0.22 0.00 0.00 0.00 0.00 53.44 53.52 2khp n ALA 38 Cb 0.52 0.28 1.20 0.00 0.00 0.00 0.00 19.45 21.45 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 -0.86 0.00 0.87 -1.88 -2.43 113.55 109.25 2khp h SER 39 Ca -0.01 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.71 2khp h SER 39 Cb 1.02 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.88 2khp h SER 39 CO 0.00 0.00 0.43 0.00 -0.53 0.00 0.00 176.83 176.73 2khp h ALA 40 N 1.99 1.31 -2.34 6.23 0.00 -1.95 -3.43 119.26 121.07 2khp h ALA 40 Ca 0.00 0.10 -0.41 0.00 0.00 0.00 0.00 54.91 54.60 2khp h ALA 40 Cb 0.01 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 2khp h ALA 40 CO 0.00 -0.15 -0.73 0.95 0.00 0.00 0.00 179.25 179.32 2khp s THR 41 N -5.95 1.52 0.10 0.00 -4.23 -0.92 -5.06 115.64 101.09 2khp s THR 41 Ca -0.12 -2.09 -0.15 0.00 -1.18 0.00 0.00 61.69 58.15 2khp s THR 41 Cb 0.23 -1.91 -0.09 0.00 1.34 0.00 0.00 72.50 72.07 2khp s THR 41 CO 0.78 -0.61 1.42 1.55 -0.54 0.00 0.00 174.62 177.22 2khp h PRO 42 N 2.78 0.69 0.01 3.99 0.13 -1.83 -2.62 132.00 135.15 2khp h PRO 42 Ca -0.38 -0.36 0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2khp h PRO 42 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2khp h PRO 42 CO 0.60 0.97 -0.10 0.93 -0.23 0.00 0.00 178.00 180.18 2khp h GLU 43 N 0.42 -0.16 0.00 0.86 5.08 -1.97 0.27 114.58 119.08 2khp h GLU 43 Ca 0.05 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2khp h GLU 43 Cb 0.84 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2khp h GLU 43 CO 0.07 -0.11 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.81 2khp h LEU 44 N -0.17 0.00 0.00 1.33 3.38 -1.78 -1.68 115.31 116.39 2khp h LEU 44 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2khp h LEU 44 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2khp h LEU 44 CO -0.09 0.09 -0.92 -0.09 0.09 0.00 0.00 178.44 177.52 2khp h ARG 45 N 0.00 0.00 0.33 1.13 2.43 -0.88 -3.05 114.38 114.34 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 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2khp h ARG 45 CO 0.01 0.49 -0.16 0.00 -1.51 0.00 0.00 179.97 178.81 2khp h ALA 46 N 1.39 -0.44 -0.20 2.80 0.00 0.46 0.22 119.26 123.48 2khp h ALA 46 Ca -0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2khp h ALA 46 Cb 1.53 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2khp h ALA 46 CO 0.07 -0.55 -0.12 1.05 0.00 0.00 0.00 179.25 179.69 2khp h GLU 47 N -0.83 0.33 0.12 0.00 4.11 -1.66 0.11 114.58 116.75 2khp h GLU 47 Ca -0.05 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 2khp h GLU 47 Cb 0.52 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2khp h GLU 47 CO 0.07 0.45 -0.06 1.98 0.07 0.00 0.00 179.01 181.53 2khp h MET 48 N 0.31 -0.16 0.00 1.06 -1.53 -1.52 -2.97 114.93 110.12 2khp h MET 48 Ca 0.06 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.33 2khp h MET 48 Cb 0.41 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.49 2khp h MET 48 CO 0.02 0.33 0.00 -0.56 0.14 0.00 0.00 176.91 176.84 2khp h GLN 49 N -0.80 0.00 0.00 0.39 3.07 -0.51 -2.85 115.11 114.41 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 2khp h GLN 49 CO 0.03 0.00 -0.00 1.49 0.09 0.00 0.00 178.83 180.44 2khp h GLU 50 N 0.00 -0.00 -0.40 0.06 4.81 -0.75 0.32 114.58 118.62 2khp h GLU 50 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2khp h GLU 50 Cb 0.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2khp h GLU 50 CO 0.00 0.63 -0.05 0.00 -0.73 0.00 0.00 179.01 178.87 2khp h ARG 51 N -0.64 0.66 0.14 1.92 3.08 -1.40 -2.96 114.38 115.19 2khp h ARG 51 Ca -0.00 -0.18 -0.28 0.00 0.07 0.00 0.00 59.98 59.59 2khp h ARG 51 Cb 0.64 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.62 2khp h ARG 51 CO 0.00 0.71 -1.25 0.66 -1.07 0.00 0.00 179.97 179.02 2khp h SER 52 N 0.62 0.55 -0.15 7.04 4.64 -1.56 -3.48 113.55 121.22 2khp h SER 52 Ca 0.12 -0.57 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 2khp h SER 52 Cb 0.46 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2khp h SER 52 CO 0.02 1.43 -0.05 0.61 -0.87 0.00 0.00 176.83 177.96 2khp n GLY 53 N 1.48 0.59 3.26 -0.77 0.00 0.11 -5.02 105.19 104.84 2khp n GLY 53 Ca -0.10 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.31 1.57 0.07 1.61 0.52 -1.17 -5.04 118.95 114.19 2khp s ARG 54 Ca 0.00 -1.88 -0.18 0.00 -0.52 0.00 0.00 55.73 53.15 2khp s ARG 54 Cb 0.00 0.31 -0.06 0.00 0.52 0.00 0.00 34.95 35.72 2khp s ARG 54 CO 0.00 -0.56 1.29 -2.95 0.02 0.00 0.00 175.30 173.10 2khp h ASN 55 N 2.30 -0.98 -2.77 0.23 7.08 -1.95 -3.43 115.58 116.06 2khp h ASN 55 Ca -0.29 0.13 0.09 0.00 -3.08 0.00 0.00 56.30 53.15 2khp h ASN 55 Cb 1.24 0.40 -0.27 0.00 -2.08 0.00 0.00 38.32 37.61 2khp h ASN 55 CO 0.42 -0.22 0.41 0.42 -2.08 0.00 0.00 177.43 176.38 2khp s THR 56 N -4.41 0.00 0.12 6.14 -4.23 -1.26 -4.75 115.64 107.24 2khp s THR 56 Ca -0.08 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.36 2khp s THR 56 Cb 0.04 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 2khp s THR 56 CO 0.33 0.00 0.18 0.72 -0.54 0.00 0.00 174.62 175.30 2khp s PHE 57 N 0.93 0.37 -0.12 3.99 -0.71 -1.26 -5.09 117.98 116.09 2khp s PHE 57 Ca -0.04 -0.79 -0.29 0.00 -1.04 0.00 0.00 56.93 54.77 2khp s PHE 57 Cb -0.04 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 2khp s PHE 57 CO -0.12 -0.58 1.54 -1.25 -1.34 0.00 0.00 175.22 173.47 2khp s PRO 58 N -3.93 4.10 -0.14 1.99 0.04 -1.26 -4.82 135.00 130.99 2khp s PRO 58 Ca 0.12 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 2khp s PRO 58 Cb 0.05 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 2khp s PRO 58 CO -0.05 -0.92 0.36 -0.65 0.04 0.00 0.00 177.00 175.78 2khp s GLN 59 N 4.05 4.25 -0.40 4.56 1.11 -0.38 -3.40 119.66 129.45 2khp s GLN 59 Ca 0.68 0.23 -0.03 0.00 0.01 0.00 0.00 55.36 56.25 2khp s GLN 59 Cb -0.28 -3.41 0.10 0.00 -1.01 0.00 0.00 33.01 28.41 2khp s GLN 59 CO 0.26 0.25 0.19 0.42 0.01 0.00 0.00 175.29 176.42 2khp s ILE 60 N 0.40 3.34 -0.38 1.08 -1.09 0.94 -1.40 121.20 124.09 2khp s ILE 60 Ca 0.20 -1.96 -0.16 0.00 -2.23 0.00 0.00 60.65 56.51 2khp s ILE 60 Cb -0.14 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2khp s ILE 60 CO 0.07 -0.64 0.37 -0.36 -1.23 0.00 0.00 174.94 173.15 2khp s PHE 61 N 1.17 3.20 -0.27 3.97 0.08 0.51 -0.28 117.98 126.37 2khp s PHE 61 Ca 0.07 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.86 2khp s PHE 61 Cb -0.23 -2.73 0.03 0.00 -0.57 0.00 0.00 43.02 39.52 2khp s PHE 61 CO -0.03 -0.54 -0.03 0.42 -0.10 0.00 0.00 175.22 174.94 2khp s ILE 62 N 2.00 3.09 0.00 0.64 1.01 -0.26 -1.11 121.20 126.57 2khp s ILE 62 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2khp s ILE 62 Cb -0.17 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2khp s ILE 62 CO 0.12 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2khp n GLY 63 N 4.69 1.27 0.01 6.18 0.00 -1.19 -1.54 105.19 114.61 2khp n GLY 63 Ca -0.15 0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 10.68 2.05 -4.33 1.61 2.88 -1.20 -4.82 113.62 120.49 2khp n SER 64 Ca 0.00 -2.14 -0.25 0.00 -1.33 0.00 0.00 58.87 55.15 2khp n SER 64 Cb 0.00 -0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.25 1.93 -0.53 2.46 1.01 -0.59 -5.11 120.40 118.34 2khp s VAL 65 Ca 0.04 -1.72 -0.14 0.00 0.00 0.00 0.00 61.98 60.17 2khp s VAL 65 Cb 0.04 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.77 2khp s VAL 65 CO 0.00 -0.08 0.46 -2.28 0.00 0.00 0.00 175.10 173.21 2khp s HIS 66 N -1.35 3.32 0.00 5.22 2.46 -1.26 -1.10 115.29 122.57 2khp s HIS 66 Ca 0.11 -1.49 0.00 0.00 0.47 0.00 0.00 55.06 54.15 2khp s HIS 66 Cb -0.09 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.65 2khp s HIS 66 CO 0.06 -1.01 0.60 0.28 -2.47 0.00 0.00 174.74 172.20 2khp n VAL 67 N 5.11 0.00 0.00 0.89 0.31 0.61 -4.99 118.33 120.26 2khp n VAL 67 Ca -0.11 1.10 0.00 0.00 -0.01 0.00 0.00 64.34 65.32 2khp n VAL 67 Cb 0.40 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 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 -0.70 -1.09 0.00 2.92 0.00 -1.21 -4.95 105.19 100.18 2khp n GLY 68 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 3.99 0.27 -0.02 0.00 -1.22 -0.04 105.19 108.18 2khp n GLY 69 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 0.43 -0.03 0.22 0.00 1.82 -1.95 0.27 116.42 117.19 2khp h ASP 71 Ca 0.41 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.07 2khp h ASP 71 Cb 0.62 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2khp h ASP 71 CO -0.40 0.01 -0.11 0.44 -1.61 0.00 0.00 179.24 177.57 2khp h ASP 72 N 0.09 -0.25 -0.84 2.28 5.19 -1.63 0.21 116.42 121.46 2khp h ASP 72 Ca 0.08 -0.15 0.09 0.00 -0.62 0.00 0.00 57.03 56.43 2khp h ASP 72 Cb 0.09 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 2khp h ASP 72 CO -0.13 0.01 0.54 0.25 -3.12 0.00 0.00 179.24 176.80 2khp h LEU 73 N -0.53 0.73 -0.42 1.55 6.46 -0.50 0.28 115.31 122.89 2khp h LEU 73 Ca -0.03 0.02 -0.18 0.00 -0.12 0.00 0.00 57.88 57.57 2khp h LEU 73 Cb 0.39 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2khp h LEU 73 CO 0.05 0.43 -0.69 1.88 -0.62 0.00 0.00 178.44 179.49 2khp h TYR 74 N 0.81 0.61 -0.00 1.25 -1.99 -0.31 -1.04 116.97 116.30 2khp h TYR 74 Ca 0.39 -0.26 -0.16 0.00 2.00 0.00 0.00 58.73 60.70 2khp h TYR 74 Cb 0.41 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 2khp h TYR 74 CO -0.00 1.01 -0.74 0.00 -0.00 0.00 0.00 178.16 178.43 2khp h ALA 75 N 0.92 0.78 0.01 3.88 0.00 0.35 -2.93 119.26 122.28 2khp h ALA 75 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2khp h ALA 75 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2khp h ALA 75 CO 0.12 0.92 -0.10 -0.07 0.00 0.00 0.00 179.25 180.12 2khp h LEU 76 N 0.01 0.07 -2.03 0.00 -0.00 -0.44 -3.29 115.31 109.63 2khp h LEU 76 Ca -0.01 -0.92 0.09 0.00 -0.00 0.00 0.00 57.88 57.04 2khp h LEU 76 Cb 1.30 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2khp h LEU 76 CO 0.10 0.98 0.24 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 -1.27 0.17 114.58 113.77 2khp h GLU 77 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.31 2khp h GLU 77 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.76 2khp h GLU 77 CO 0.02 0.00 -0.15 0.22 -0.00 0.00 0.00 179.01 179.10 2khp h ASP 78 N 0.00 0.00 0.02 3.06 3.58 -1.58 -2.58 116.42 118.92 2khp h ASP 78 Ca 0.15 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 2khp h ASP 78 Cb 0.64 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 2khp h ASP 78 CO -0.00 0.15 -2.01 -0.62 -2.88 0.00 0.00 179.24 173.88 2khp n GLU 79 N -3.80 0.66 -1.16 0.28 1.02 0.43 -4.99 120.64 113.08 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 0.25 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.29 0.39 0.10 0.62 0.00 -0.19 -4.93 105.19 102.47 2khp n GLY 80 Ca -0.06 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.64 0.61 -0.35 1.61 4.76 -1.20 -4.09 118.16 116.87 2khp n LYS 81 Ca 0.00 0.18 0.13 0.00 -2.87 0.00 0.00 58.31 55.74 2khp n LYS 81 Cb 0.09 -1.81 0.32 0.00 -1.84 0.00 0.00 35.03 31.79 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 0.78 -1.01 -0.35 5.85 -1.92 0.84 115.31 119.49 2khp h LEU 82 Ca -0.09 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.88 2khp h LEU 82 Cb 1.33 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.21 2khp h LEU 82 CO 0.03 0.30 0.62 0.44 -0.34 0.00 0.00 178.44 179.48 2khp h ASP 83 N 0.77 0.84 1.28 1.25 5.19 -1.94 0.92 116.42 124.74 2khp h ASP 83 Ca 0.56 0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 56.91 2khp h ASP 83 Cb 0.87 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 2khp h ASP 83 CO -0.35 0.37 -0.73 0.28 -3.12 0.00 0.00 179.24 175.69 2khp h SER 84 N 0.86 0.00 -0.29 6.45 0.02 -1.13 -2.77 113.55 116.69 2khp h SER 84 Ca 0.55 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.37 2khp h SER 84 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2khp h SER 84 CO -0.33 0.66 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.68 2khp h LEU 85 N 0.00 0.82 0.00 5.07 -0.00 0.17 0.30 115.31 121.67 2khp h LEU 85 Ca -0.02 -0.32 -0.07 0.00 -0.00 0.00 0.00 57.88 57.47 2khp h LEU 85 Cb 1.52 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.94 2khp h LEU 85 CO 0.08 1.05 -0.55 0.17 -0.00 0.00 0.00 178.44 179.19 2khp h LEU 86 N 0.68 0.00 0.06 1.67 8.10 -1.16 0.25 115.31 124.91 2khp h LEU 86 Ca 0.08 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.99 2khp h LEU 86 Cb 0.80 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.03 2khp h LEU 86 CO 0.07 0.32 -0.37 0.50 -4.11 0.00 0.00 178.44 174.85 2khp h LYS 87 N 0.00 0.14 0.13 0.17 1.63 -1.31 -3.32 116.57 114.00 2khp h LYS 87 Ca -0.03 -0.24 -0.35 0.00 -0.85 0.00 0.00 60.65 59.18 2khp h LYS 87 Cb 1.27 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2khp h LYS 87 CO 0.04 1.10 -1.91 1.79 -3.45 0.00 0.00 179.45 177.02 2khp h THR 88 N -0.68 0.72 0.00 1.00 1.35 -1.06 -3.36 112.91 110.88 2khp h THR 88 Ca -0.06 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 2khp h THR 88 Cb 1.27 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 2khp h THR 88 CO 0.07 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 2khp n GLY 89 N 1.92 0.56 2.99 5.82 0.00 0.87 -4.84 105.19 112.51 2khp n GLY 89 Ca -0.29 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.36 0.35 -0.45 1.61 3.01 -1.24 -3.22 119.74 118.43 2khp s LYS 90 Ca 0.00 -0.67 -0.28 0.00 -1.01 0.00 0.00 55.97 54.01 2khp s LYS 90 Cb 0.00 0.09 -0.02 0.00 -1.01 0.00 0.00 37.83 36.89 2khp s LYS 90 CO 0.00 -0.05 1.82 -0.51 0.51 0.00 0.00 175.35 177.12 2khp s LEU 91 N -1.59 3.42 0.00 3.17 1.43 -1.26 -4.66 118.68 119.20 2khp s LEU 91 Ca -0.14 0.89 0.13 0.00 -1.03 0.00 0.00 54.13 53.99 2khp s LEU 91 Cb -0.09 -3.10 0.79 0.00 0.03 0.00 0.00 46.19 43.82 2khp s LEU 91 CO -0.02 -1.99 1.21 2.30 0.23 0.00 0.00 176.35 178.09