#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 0.00 0.00 1.61 0.13 -2.07 -3.48 132.00 128.19 2khp h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2khp h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2khp h PRO 2 CO 0.00 0.40 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 2khp n GLY 3 N -0.12 1.25 3.64 1.56 0.00 -1.26 -5.17 105.19 105.10 2khp n GLY 3 Ca -0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.36 0.23 1.61 0.15 -1.26 -5.19 113.70 108.89 2khp s SER 4 Ca 0.00 0.61 -0.05 0.00 0.70 0.00 0.00 55.95 57.21 2khp s SER 4 Cb 0.00 0.97 0.02 0.00 -1.71 0.00 0.00 66.02 65.30 2khp s SER 4 CO 0.00 -0.10 0.39 1.15 1.20 0.00 0.00 173.24 175.88 2khp n MET 5 N 3.02 0.56 -4.22 5.44 0.00 -1.26 -4.38 117.12 116.28 2khp n MET 5 Ca -0.16 -1.58 -0.21 0.00 0.00 0.00 0.00 57.70 55.75 2khp n MET 5 Cb 0.57 1.70 -0.12 0.00 0.00 0.00 0.00 33.22 35.37 2khp n MET 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2khp s VAL 6 N -2.57 1.37 0.05 3.17 -7.23 -0.65 -4.95 120.40 109.60 2khp s VAL 6 Ca 0.14 -1.43 -0.36 0.00 -1.81 0.00 0.00 61.98 58.53 2khp s VAL 6 Cb -0.02 -1.30 -0.15 0.00 0.56 0.00 0.00 36.38 35.48 2khp s VAL 6 CO 0.10 -0.17 1.55 0.47 -0.31 0.00 0.00 175.10 176.75 2khp n ASP 7 N 1.15 2.54 -4.22 4.85 9.92 -1.26 -4.61 116.55 124.92 2khp n ASP 7 Ca -0.20 1.08 -0.31 0.00 -0.53 0.00 0.00 54.79 54.82 2khp n ASP 7 Cb 0.54 -1.30 -0.17 0.00 -0.64 0.00 0.00 41.12 39.55 2khp n ASP 7 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2khp s VAL 8 N 1.49 2.00 -0.09 2.53 1.01 -1.26 -2.82 120.40 123.25 2khp s VAL 8 Ca 0.85 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2khp s VAL 8 Cb -0.82 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 33.84 2khp s VAL 8 CO 0.46 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 175.28 2khp s ILE 9 N 0.20 1.76 -0.11 2.22 1.01 -0.28 -0.13 121.20 125.87 2khp s ILE 9 Ca -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2khp s ILE 9 Cb -0.17 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2khp s ILE 9 CO 0.07 0.49 -0.13 -0.51 0.00 0.00 0.00 174.94 174.87 2khp s ILE 10 N 0.50 3.12 -0.25 2.92 2.07 0.15 -0.15 121.20 129.57 2khp s ILE 10 Ca -0.16 -0.65 -0.05 0.00 -1.41 0.00 0.00 60.65 58.38 2khp s ILE 10 Cb -0.17 -2.29 -0.00 0.00 0.13 0.00 0.00 42.46 40.13 2khp s ILE 10 CO 0.06 0.54 -0.00 -0.31 -1.91 0.00 0.00 174.94 173.32 2khp s TYR 11 N 0.06 3.04 0.08 3.50 1.51 0.58 -1.02 117.35 125.09 2khp s TYR 11 Ca -0.05 -0.96 -0.13 0.00 -1.01 0.00 0.00 57.07 54.92 2khp s TYR 11 Cb -0.14 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.57 2khp s TYR 11 CO 0.04 -0.55 0.30 -0.08 -1.11 0.00 0.00 175.55 174.14 2khp s THR 12 N 1.48 0.10 0.26 -0.71 -1.32 -0.51 -1.27 115.64 113.66 2khp s THR 12 Ca 0.04 -0.80 0.09 0.00 -1.21 0.00 0.00 61.69 59.81 2khp s THR 12 Cb -0.15 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 2khp s THR 12 CO -0.01 -0.44 0.06 0.00 -2.21 0.00 0.00 174.62 172.01 2khp s ARG 13 N -3.25 2.48 -0.27 7.08 1.70 -1.26 -4.02 118.95 121.41 2khp s ARG 13 Ca -0.00 -1.31 -0.29 0.00 -0.47 0.00 0.00 55.73 53.66 2khp s ARG 13 Cb 0.01 -2.28 -0.02 0.00 -0.57 0.00 0.00 34.95 32.10 2khp s ARG 13 CO -0.08 0.37 1.65 -1.25 -1.08 0.00 0.00 175.30 174.91 2khp s PRO 14 N -3.73 3.64 0.00 3.89 0.04 -1.26 -2.55 135.00 135.03 2khp s PRO 14 Ca 0.32 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2khp s PRO 14 Cb -0.07 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2khp s PRO 14 CO 0.21 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2khp n GLY 15 N 4.93 1.09 3.55 0.56 0.00 -1.26 -5.08 105.19 108.98 2khp n GLY 15 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 8.76 -0.04 -0.22 0.00 0.13 -1.98 -2.14 132.00 136.52 2khp h PRO 17 Ca -0.25 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2khp h PRO 17 Cb 1.10 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2khp h PRO 17 CO 0.91 0.44 0.14 1.88 -0.23 0.00 0.00 178.00 181.14 2khp h TYR 18 N -0.53 0.25 -0.01 1.56 -1.99 -2.01 -2.23 116.97 112.01 2khp h TYR 18 Ca -0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2khp h TYR 18 Cb 0.49 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.14 2khp h TYR 18 CO 0.09 0.15 -0.03 0.00 -0.00 0.00 0.00 178.16 178.37 2khp h ALA 20 N 0.41 0.84 -0.51 0.00 0.00 -1.01 -1.27 119.26 117.73 2khp h ALA 20 Ca -0.00 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2khp h ALA 20 Cb 0.63 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2khp h ALA 20 CO 0.01 -0.18 0.16 0.00 0.00 0.00 0.00 179.25 179.23 2khp h ARG 21 N 0.43 0.31 -0.15 0.00 2.47 -1.46 -0.93 114.38 115.05 2khp h ARG 21 Ca 0.33 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2khp h ARG 21 Cb 0.42 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2khp h ARG 21 CO -0.32 0.21 0.08 0.00 0.56 0.00 0.00 179.97 180.49 2khp h ALA 22 N 1.36 0.19 0.15 0.04 0.00 -1.23 -0.55 119.26 119.22 2khp h ALA 22 Ca 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2khp h ALA 22 Cb 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2khp h ALA 22 CO -0.28 -0.26 -0.36 0.87 0.00 0.00 0.00 179.25 179.23 2khp h LYS 23 N 0.13 -0.58 -0.97 0.00 1.57 -0.73 -0.78 116.57 115.20 2khp h LYS 23 Ca 0.05 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2khp h LYS 23 Cb 0.10 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 2khp h LYS 23 CO -0.01 -0.39 0.63 0.00 -0.57 0.00 0.00 179.45 179.11 2khp h ALA 24 N -0.03 1.31 -0.65 3.86 0.00 -1.15 0.62 119.26 123.22 2khp h ALA 24 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2khp h ALA 24 Cb 0.62 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2khp h ALA 24 CO -0.19 0.47 0.38 1.25 0.00 0.00 0.00 179.25 181.15 2khp h LEU 25 N 1.18 0.59 -0.23 0.00 5.85 -0.43 0.25 115.31 122.53 2khp h LEU 25 Ca 0.40 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.92 2khp h LEU 25 Cb 0.08 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.00 2khp h LEU 25 CO -0.15 0.40 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.55 2khp h LEU 26 N 0.72 0.87 -0.91 2.25 3.38 -0.51 -3.20 115.31 117.92 2khp h LEU 26 Ca 0.27 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2khp h LEU 26 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2khp h LEU 26 CO -0.14 1.34 0.06 0.00 0.09 0.00 0.00 178.44 179.79 2khp h ALA 27 N 0.64 1.10 -0.40 1.53 0.00 -0.44 -2.47 119.26 119.22 2khp h ALA 27 Ca -0.04 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.71 2khp h ALA 27 Cb 1.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2khp h ALA 27 CO 0.15 0.58 0.28 -0.09 0.00 0.00 0.00 179.25 180.17 2khp h ARG 28 N 0.81 0.16 0.00 0.00 1.12 -0.51 0.23 114.38 116.19 2khp h ARG 28 Ca 0.16 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 2khp h ARG 28 Cb 0.41 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 2khp h ARG 28 CO 0.01 0.10 0.00 0.87 -3.11 0.00 0.00 179.97 177.85 2khp h LYS 29 N 0.16 0.00 0.00 0.20 1.57 -1.49 -3.47 116.57 113.54 2khp h LYS 29 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2khp h LYS 29 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2khp h LYS 29 CO -0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.26 2khp n GLY 30 N 1.07 1.23 3.63 3.86 0.00 0.82 -5.03 105.19 110.76 2khp n GLY 30 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.35 3.23 0.41 4.61 0.00 -1.19 -4.97 121.76 121.51 2khp s ALA 31 Ca 0.00 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 2khp s ALA 31 Cb 0.00 -3.90 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 2khp s ALA 31 CO 0.00 -2.03 0.99 -1.21 0.00 0.00 0.00 175.76 173.51 2khp s GLU 32 N 4.98 4.21 -0.07 0.00 0.41 -1.26 -4.30 118.70 122.67 2khp s GLU 32 Ca 0.82 1.30 -0.17 0.00 -0.41 0.00 0.00 54.97 56.51 2khp s GLU 32 Cb -0.31 -2.38 0.04 0.00 -1.78 0.00 0.00 34.13 29.69 2khp s GLU 32 CO 0.33 -0.07 0.40 -0.59 -0.49 0.00 0.00 175.26 174.85 2khp s PHE 33 N -1.90 -0.34 -0.18 1.61 -0.12 -1.26 -4.54 117.98 111.25 2khp s PHE 33 Ca 0.60 0.67 -0.29 0.00 -0.05 0.00 0.00 56.93 57.86 2khp s PHE 33 Cb -0.15 0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.40 2khp s PHE 33 CO 0.20 -0.37 1.04 1.21 -0.05 0.00 0.00 175.22 177.25 2khp s ASN 34 N -0.80 7.14 -0.16 1.98 2.47 0.81 -4.86 114.94 121.52 2khp s ASN 34 Ca -0.09 1.46 -0.24 0.00 0.42 0.00 0.00 52.86 54.41 2khp s ASN 34 Cb -0.04 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 2khp s ASN 34 CO 0.04 -0.59 0.79 -0.70 -3.72 0.00 0.00 177.10 172.92 2khp s GLU 35 N 2.76 4.30 0.02 0.43 2.12 -1.26 -0.67 118.70 126.39 2khp s GLU 35 Ca 0.46 0.95 0.02 0.00 0.36 0.00 0.00 54.97 56.76 2khp s GLU 35 Cb -0.17 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 2khp s GLU 35 CO 0.11 -0.28 -0.07 0.42 -0.54 0.00 0.00 175.26 174.90 2khp s ILE 36 N 2.00 0.54 0.05 -3.70 1.01 -0.19 -4.97 121.20 115.93 2khp s ILE 36 Ca 0.37 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.31 2khp s ILE 36 Cb -0.17 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 2khp s ILE 36 CO 0.13 -0.15 0.03 -1.81 0.00 0.00 0.00 174.94 173.13 2khp s ASP 37 N -0.97 5.27 -0.06 3.58 1.11 -1.26 -1.43 116.67 122.92 2khp s ASP 37 Ca -0.04 -0.04 0.05 0.00 0.18 0.00 0.00 52.55 52.70 2khp s ASP 37 Cb -0.07 -1.37 -0.07 0.00 1.07 0.00 0.00 42.92 42.48 2khp s ASP 37 CO 0.00 0.22 0.02 0.00 1.18 0.00 0.00 175.17 176.59 2khp n ALA 38 N 0.86 1.86 0.32 5.23 0.00 -1.26 -4.56 120.51 122.96 2khp n ALA 38 Ca -0.11 -0.38 0.20 0.00 0.00 0.00 0.00 53.44 53.15 2khp n ALA 38 Cb 0.52 0.13 1.11 0.00 0.00 0.00 0.00 19.45 21.22 2khp n ALA 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2khp h SER 39 N 0.00 0.00 -0.94 0.00 4.64 -1.89 -2.01 113.55 113.35 2khp h SER 39 Ca -0.15 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.38 2khp h SER 39 Cb 1.35 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.36 2khp h SER 39 CO 0.01 0.00 0.62 0.00 -0.87 0.00 0.00 176.83 176.58 2khp h ALA 40 N 1.95 2.14 -2.29 5.18 0.00 -1.97 -3.42 119.26 120.85 2khp h ALA 40 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2khp h ALA 40 Cb 0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 2khp h ALA 40 CO -0.00 -0.45 -0.70 0.95 0.00 0.00 0.00 179.25 179.05 2khp s THR 41 N -5.50 0.65 0.17 0.00 -4.23 -0.79 -5.06 115.64 100.88 2khp s THR 41 Ca -0.09 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 2khp s THR 41 Cb 0.23 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 2khp s THR 41 CO 0.79 -0.86 1.52 1.55 -0.54 0.00 0.00 174.62 177.08 2khp h PRO 42 N 3.07 0.78 0.06 3.99 0.13 -1.82 -2.56 132.00 135.65 2khp h PRO 42 Ca -0.35 -0.41 -0.00 0.00 -0.87 0.00 0.00 66.00 64.36 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 1.04 -0.03 1.49 -0.23 0.00 0.00 178.00 180.90 2khp h GLU 43 N 0.63 -0.08 -0.75 0.86 4.57 -1.97 0.20 114.58 118.05 2khp h GLU 43 Ca 0.05 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 2khp h GLU 43 Cb 0.97 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.52 2khp h GLU 43 CO 0.09 0.39 0.49 -0.07 -1.18 0.00 0.00 179.01 178.73 2khp h LEU 44 N -0.60 0.55 0.00 1.64 3.38 -1.77 0.25 115.31 118.75 2khp h LEU 44 Ca -0.01 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2khp h LEU 44 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2khp h LEU 44 CO 0.01 0.32 -0.93 -0.09 0.09 0.00 0.00 178.44 177.84 2khp h ARG 45 N 0.60 0.00 -0.04 1.13 1.12 -1.04 -3.19 114.38 112.96 2khp h ARG 45 Ca 0.35 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 59.07 2khp h ARG 45 Cb 0.55 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.52 2khp h ARG 45 CO -0.13 0.47 -0.55 0.00 -3.11 0.00 0.00 179.97 176.66 2khp h ALA 46 N 1.41 0.11 -0.71 2.80 0.00 0.12 -2.14 119.26 120.84 2khp h ALA 46 Ca -0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 2khp h ALA 46 Cb 1.51 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2khp h ALA 46 CO 0.06 0.34 0.25 1.05 0.00 0.00 0.00 179.25 180.96 2khp h GLU 47 N -0.05 1.07 0.22 0.00 4.11 -0.72 0.13 114.58 119.35 2khp h GLU 47 Ca -0.06 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.16 2khp h GLU 47 Cb 1.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2khp h GLU 47 CO 0.11 0.89 -0.11 0.52 0.07 0.00 0.00 179.01 180.49 2khp h MET 48 N 1.04 -0.29 0.00 1.06 2.86 -1.61 -3.03 114.93 114.96 2khp h MET 48 Ca 0.24 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2khp h MET 48 Cb 0.24 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2khp h MET 48 CO -0.01 0.07 -0.00 -0.56 1.06 0.00 0.00 176.91 177.47 2khp h GLN 49 N -0.74 0.00 0.00 1.72 3.07 -1.34 -1.56 115.11 116.26 2khp h GLN 49 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 2khp h GLN 49 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 2khp h GLN 49 CO 0.05 0.00 -0.12 1.49 0.09 0.00 0.00 178.83 180.34 2khp h GLU 50 N 0.00 0.00 0.10 0.06 4.81 -0.61 0.13 114.58 119.06 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 0.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2khp h GLU 50 CO 0.00 0.12 -1.74 0.00 -0.73 0.00 0.00 179.01 176.67 2khp h ARG 51 N 0.00 0.21 0.17 1.92 3.08 -1.22 -3.37 114.38 115.16 2khp h ARG 51 Ca -0.00 -0.35 -0.30 0.00 0.07 0.00 0.00 59.98 59.39 2khp h ARG 51 Cb 0.71 0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.90 2khp h ARG 51 CO 0.02 1.02 -1.40 1.03 -1.07 0.00 0.00 179.97 179.56 2khp h SER 52 N 0.06 0.55 0.00 7.04 0.87 -1.46 -3.48 113.55 117.12 2khp h SER 52 Ca -0.32 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 2khp h SER 52 Cb 2.03 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2khp h SER 52 CO 0.12 1.50 0.00 0.61 -0.53 0.00 0.00 176.83 178.53 2khp n GLY 53 N 1.63 0.72 3.65 5.77 0.00 0.43 -5.05 105.19 112.35 2khp n GLY 53 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.42 2.05 0.00 1.61 1.81 -1.23 -5.05 118.95 117.71 2khp s ARG 54 Ca 0.00 -2.26 0.00 0.00 -1.72 0.00 0.00 55.73 51.75 2khp s ARG 54 Cb 0.00 -1.29 0.00 0.00 -0.45 0.00 0.00 34.95 33.21 2khp s ARG 54 CO 0.00 -0.31 0.87 0.27 -0.68 0.00 0.00 175.30 175.45 2khp n ASN 55 N -1.17 0.00 -3.64 0.23 0.23 -1.26 -4.73 115.26 104.92 2khp n ASN 55 Ca -0.12 0.87 -0.09 0.00 -0.53 0.00 0.00 54.58 54.71 2khp n ASN 55 Cb 0.67 -0.37 -0.07 0.00 -2.08 0.00 0.00 39.78 37.92 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 -2.48 -0.00 0.10 5.53 2.01 -1.26 -4.73 115.64 114.80 2khp s THR 56 Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 2khp s THR 56 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 2khp s THR 56 CO 0.00 0.00 0.18 0.72 -0.69 0.00 0.00 174.62 174.83 2khp s PHE 57 N 1.25 0.27 0.10 4.92 -0.71 -1.26 -5.11 117.98 117.44 2khp s PHE 57 Ca -0.07 -0.70 -0.31 0.00 -1.04 0.00 0.00 56.93 54.82 2khp s PHE 57 Cb -0.05 -0.11 -0.08 0.00 -1.21 0.00 0.00 43.02 41.57 2khp s PHE 57 CO -0.13 -0.56 1.37 -1.25 -1.34 0.00 0.00 175.22 173.30 2khp s PRO 58 N -3.89 4.33 -0.17 1.99 0.04 -1.26 -4.86 135.00 131.18 2khp s PRO 58 Ca 0.08 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 2khp s PRO 58 Cb 0.05 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2khp s PRO 58 CO -0.08 -0.42 0.00 -0.65 0.04 0.00 0.00 177.00 175.89 2khp s GLN 59 N 1.13 3.78 -0.35 4.56 1.11 -0.40 -2.86 119.66 126.64 2khp s GLN 59 Ca 0.64 -0.45 0.01 0.00 0.01 0.00 0.00 55.36 55.56 2khp s GLN 59 Cb -0.36 -3.04 0.09 0.00 -1.01 0.00 0.00 33.01 28.69 2khp s GLN 59 CO 0.30 0.23 0.09 0.42 0.01 0.00 0.00 175.29 176.34 2khp s ILE 60 N 0.42 2.75 -0.33 1.08 1.09 0.10 -0.31 121.20 126.00 2khp s ILE 60 Ca -0.01 -2.04 -0.18 0.00 -1.10 0.00 0.00 60.65 57.32 2khp s ILE 60 Cb -0.14 -2.87 -0.01 0.00 -1.06 0.00 0.00 42.46 38.39 2khp s ILE 60 CO 0.02 -0.51 0.51 -0.36 -0.10 0.00 0.00 174.94 174.50 2khp s PHE 61 N 1.06 3.20 -0.20 3.97 0.08 0.79 -0.32 117.98 126.55 2khp s PHE 61 Ca 0.06 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.40 2khp s PHE 61 Cb -0.21 -2.88 0.03 0.00 -0.57 0.00 0.00 43.02 39.39 2khp s PHE 61 CO -0.05 -0.48 -0.16 0.42 -0.10 0.00 0.00 175.22 174.85 2khp s ILE 62 N 2.38 1.97 0.00 0.64 1.01 -0.53 -1.13 121.20 125.55 2khp s ILE 62 Ca 0.19 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2khp s ILE 62 Cb -0.15 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2khp s ILE 62 CO 0.12 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2khp n GLY 63 N 4.60 1.22 0.02 6.18 0.00 -1.13 -1.60 105.19 114.48 2khp n GLY 63 Ca -0.18 0.30 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 10.51 1.75 -4.33 1.61 2.88 -1.12 -4.91 113.62 120.01 2khp n SER 64 Ca 0.00 -2.01 -0.25 0.00 -1.33 0.00 0.00 58.87 55.29 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 -1.08 1.91 -0.56 2.46 1.01 -0.63 -5.10 120.40 118.41 2khp s VAL 65 Ca 0.04 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 2khp s VAL 65 Cb 0.03 -1.77 0.14 0.00 0.00 0.00 0.00 36.38 34.78 2khp s VAL 65 CO 0.00 -0.10 0.52 -2.28 0.00 0.00 0.00 175.10 173.25 2khp s HIS 66 N -1.40 3.28 0.00 5.22 2.46 -1.26 -1.45 115.29 122.14 2khp s HIS 66 Ca 0.11 -1.33 0.00 0.00 0.47 0.00 0.00 55.06 54.31 2khp s HIS 66 Cb -0.09 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.56 2khp s HIS 66 CO 0.06 -1.02 0.60 0.28 -2.47 0.00 0.00 174.74 172.18 2khp n VAL 67 N 5.17 0.00 0.00 0.89 0.31 0.56 -4.97 118.33 120.28 2khp n VAL 67 Ca -0.12 1.10 0.00 0.00 -0.01 0.00 0.00 64.34 65.31 2khp n VAL 67 Cb 0.41 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 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 -0.55 0.00 2.92 0.00 -1.22 -4.94 105.19 100.63 2khp n GLY 68 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 5.36 0.23 -0.02 0.00 -1.14 0.03 105.19 109.66 2khp n GLY 69 Ca 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 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 0.50 0.02 0.25 0.00 3.58 -1.96 0.24 116.42 119.05 2khp h ASP 71 Ca 0.28 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 2khp h ASP 71 Cb 0.25 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2khp h ASP 71 CO -0.23 0.03 -0.12 0.44 -2.88 0.00 0.00 179.24 176.49 2khp h ASP 72 N 0.11 -0.28 -0.88 2.28 5.19 -1.79 0.16 116.42 121.21 2khp h ASP 72 Ca 0.08 -0.13 0.09 0.00 -0.62 0.00 0.00 57.03 56.45 2khp h ASP 72 Cb 0.07 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.59 2khp h ASP 72 CO -0.10 -0.03 0.57 0.25 -3.12 0.00 0.00 179.24 176.81 2khp h LEU 73 N -0.53 0.80 -0.47 1.55 6.46 -0.47 0.26 115.31 122.91 2khp h LEU 73 Ca -0.03 0.02 -0.17 0.00 -0.12 0.00 0.00 57.88 57.58 2khp h LEU 73 Cb 0.39 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 2khp h LEU 73 CO 0.06 0.48 -0.56 1.88 -0.62 0.00 0.00 178.44 179.68 2khp h TYR 74 N 0.89 0.77 0.00 1.25 -1.99 -0.36 -0.75 116.97 116.78 2khp h TYR 74 Ca 0.40 -0.28 -0.13 0.00 2.00 0.00 0.00 58.73 60.73 2khp h TYR 74 Cb 0.37 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 2khp h TYR 74 CO -0.00 1.03 -0.62 0.00 -0.00 0.00 0.00 178.16 178.56 2khp h ALA 75 N 0.91 0.86 0.01 3.88 0.00 0.25 -2.75 119.26 122.43 2khp h ALA 75 Ca 0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2khp h ALA 75 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2khp h ALA 75 CO 0.11 0.78 -0.00 -0.07 0.00 0.00 0.00 179.25 180.06 2khp h LEU 76 N 0.00 -0.01 -0.94 0.00 -0.00 -0.45 -3.32 115.31 110.59 2khp h LEU 76 Ca -0.01 -0.83 0.11 0.00 -0.00 0.00 0.00 57.88 57.15 2khp h LEU 76 Cb 1.18 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.76 2khp h LEU 76 CO 0.08 0.89 0.58 -0.08 -0.00 0.00 0.00 178.44 179.91 2khp h GLU 77 N -0.97 0.91 -0.31 1.13 4.57 -1.22 0.31 114.58 119.01 2khp h GLU 77 Ca -0.00 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 2khp h GLU 77 Cb 0.83 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2khp h GLU 77 CO 0.00 0.60 0.31 0.22 -1.18 0.00 0.00 179.01 178.97 2khp h ASP 78 N 0.94 0.00 0.00 1.04 3.58 -1.60 -0.21 116.42 120.17 2khp h ASP 78 Ca 0.46 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.89 2khp h ASP 78 Cb 0.42 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2khp h ASP 78 CO -0.25 0.00 -1.88 -0.62 -2.88 0.00 0.00 179.24 173.61 2khp n GLU 79 N -3.85 0.60 -2.00 0.28 1.02 0.32 -5.00 120.64 112.01 2khp n GLU 79 Ca 0.05 -0.16 -0.03 0.00 -0.02 0.00 0.00 57.16 56.99 2khp n GLU 79 Cb 0.47 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 1.46 0.27 0.11 0.62 0.00 0.82 -4.94 105.19 103.53 2khp n GLY 80 Ca -0.05 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.00 1.61 1.79 -1.80 -3.35 116.57 113.82 2khp h LYS 81 Ca -0.07 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.57 2khp h LYS 81 Cb 1.00 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.55 2khp h LYS 81 CO 0.09 0.30 0.61 -0.07 -1.08 0.00 0.00 179.45 179.29 2khp h LEU 82 N 0.00 0.80 -1.23 2.94 3.38 -1.93 0.10 115.31 119.38 2khp h LEU 82 Ca -0.11 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.14 2khp h LEU 82 Cb 1.46 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 42.07 2khp h LEU 82 CO 0.04 0.31 0.61 0.44 0.09 0.00 0.00 178.44 179.93 2khp h ASP 83 N 0.79 0.64 0.92 -0.43 3.32 -1.95 0.31 116.42 120.02 2khp h ASP 83 Ca 0.56 0.07 -0.22 0.00 0.02 0.00 0.00 57.03 57.46 2khp h ASP 83 Cb 0.82 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 2khp h ASP 83 CO -0.36 0.25 -1.10 0.28 -1.72 0.00 0.00 179.24 176.58 2khp h SER 84 N 0.63 0.01 0.23 6.45 0.02 -1.07 -2.80 113.55 117.02 2khp h SER 84 Ca 0.53 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.31 2khp h SER 84 Cb 0.99 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2khp h SER 84 CO -0.28 1.01 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.77 2khp h LEU 85 N 0.00 0.41 0.00 5.07 4.07 0.01 0.28 115.31 125.15 2khp h LEU 85 Ca -0.05 -0.23 -0.03 0.00 0.08 0.00 0.00 57.88 57.65 2khp h LEU 85 Cb 1.81 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 2khp h LEU 85 CO 0.13 0.90 -0.33 0.17 -1.08 0.00 0.00 178.44 178.23 2khp h LEU 86 N 0.27 0.00 0.07 1.67 8.10 -0.58 0.27 115.31 125.11 2khp h LEU 86 Ca -0.00 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.68 2khp h LEU 86 Cb 1.10 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.30 2khp h LEU 86 CO 0.10 0.15 -1.67 0.50 -4.11 0.00 0.00 178.44 173.42 2khp h LYS 87 N 0.00 0.15 0.13 0.17 3.64 -1.35 -1.74 116.57 117.58 2khp h LYS 87 Ca -0.01 -0.26 -0.36 0.00 -1.27 0.00 0.00 60.65 58.75 2khp h LYS 87 Cb 1.12 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2khp h LYS 87 CO 0.02 1.13 -1.92 1.79 -2.27 0.00 0.00 179.45 178.19 2khp h THR 88 N -0.40 0.71 0.00 1.00 1.35 -0.56 -3.38 112.91 111.63 2khp h THR 88 Ca -0.39 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2khp h THR 88 Cb 1.71 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.70 2khp h THR 88 CO -0.04 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 2khp n GLY 89 N 1.94 0.88 3.31 5.82 0.00 0.94 -4.92 105.19 113.17 2khp n GLY 89 Ca -0.29 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.21 0.61 -0.07 1.61 3.01 -1.23 -2.79 119.74 119.67 2khp s LYS 90 Ca 0.00 0.28 0.05 0.00 -1.01 0.00 0.00 55.97 55.29 2khp s LYS 90 Cb 0.00 0.28 -0.01 0.00 -1.01 0.00 0.00 37.83 37.09 2khp s LYS 90 CO 0.00 -0.13 -0.21 -0.48 0.51 0.00 0.00 175.35 175.04 2khp s LEU 91 N -0.45 2.29 0.00 3.17 0.05 -1.26 -4.40 118.68 118.08 2khp s LEU 91 Ca -0.06 -0.43 0.26 0.00 0.05 0.00 0.00 54.13 53.95 2khp s LEU 91 Cb -0.03 -1.44 0.53 0.00 -2.05 0.00 0.00 46.19 43.19 2khp s LEU 91 CO 0.03 0.25 1.45 -0.38 -0.55 0.00 0.00 176.35 177.15