#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kld n LEU 2 N 0.00 6.61 0.00 0.00 4.77 -1.26 -4.57 117.00 122.56 1kld n LEU 2 Ca 0.00 -5.03 -0.14 0.00 -0.03 0.00 0.00 56.01 50.82 1kld n LEU 2 Cb 0.00 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 39.73 1kld n LEU 2 CO 0.00 1.62 -0.10 -0.90 -1.33 0.00 0.00 177.39 176.69 1kld n ASP 3 N 2.11 2.56 0.00 -1.43 5.68 -1.26 -1.75 116.55 122.45 1kld n ASP 3 Ca 0.33 -1.93 0.05 0.00 -0.50 0.00 0.00 54.79 52.74 1kld n ASP 3 Cb 0.34 0.14 0.28 0.00 -1.14 0.00 0.00 41.12 40.74 1kld n ASP 3 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kld n THR 4 N -0.55 0.00 -0.13 2.12 -2.24 -1.24 -2.39 114.28 109.84 1kld n THR 4 Ca -0.09 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.44 1kld n THR 4 Cb 0.27 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 1kld n THR 4 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1kld n ASN 5 N -0.66 1.96 0.15 3.42 5.15 -1.26 -3.59 115.26 120.43 1kld n ASN 5 Ca 0.07 0.17 0.06 0.00 -0.60 0.00 0.00 54.58 54.29 1kld n ASN 5 Cb 0.03 -0.67 0.05 0.00 -0.53 0.00 0.00 39.78 38.66 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kld h TYR 6 N -0.65 0.00 0.00 1.20 3.20 -1.80 -3.22 116.97 115.70 1kld h TYR 6 Ca -0.66 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.21 1kld h TYR 6 Cb 1.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.98 1kld h TYR 6 CO -0.05 0.30 -0.66 0.00 -1.64 0.00 0.00 178.16 176.10 1kld n PHE 8 N -2.29 0.00 -0.05 0.00 3.01 -1.22 -4.23 117.46 112.68 1kld n PHE 8 Ca 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.47 1kld n PHE 8 Cb 0.47 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.92 1kld n PHE 8 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1kld h SER 9 N 2.41 0.00 0.00 4.37 4.64 -1.60 -3.50 113.55 119.87 1kld h SER 9 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1kld h SER 9 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1kld h SER 9 CO 0.00 0.58 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 1kld n SER 10 N -4.75 0.00 -4.88 4.97 3.41 -1.26 -5.16 113.62 105.95 1kld n SER 10 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.38 1kld n SER 10 Cb 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.09 1kld n SER 10 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1kld s THR 11 N 0.49 2.32 0.07 6.66 -4.23 -1.26 -4.89 115.64 114.80 1kld s THR 11 Ca 0.00 -0.79 -0.27 0.00 -1.18 0.00 0.00 61.69 59.45 1kld s THR 11 Cb 0.00 -2.53 0.08 0.00 1.34 0.00 0.00 72.50 71.39 1kld s THR 11 CO 0.00 0.00 0.92 -0.70 -0.54 0.00 0.00 174.62 174.30 1kld s GLU 12 N -4.83 0.99 -0.14 3.99 2.56 -1.26 -5.05 118.70 114.95 1kld s GLU 12 Ca 0.62 -0.46 0.15 0.00 0.00 0.00 0.00 54.97 55.28 1kld s GLU 12 Cb -0.07 0.39 0.36 0.00 2.00 0.00 0.00 34.13 36.81 1kld s GLU 12 CO 0.40 -0.44 1.18 1.17 -0.56 0.00 0.00 175.26 177.01 1kld n LYS 13 N -0.35 1.11 -3.10 4.30 3.00 -1.26 -5.01 118.16 116.84 1kld n LYS 13 Ca -0.08 -2.73 -0.11 0.00 -0.00 0.00 0.00 58.31 55.40 1kld n LYS 13 Cb 0.61 -1.22 -0.04 0.00 0.00 0.00 0.00 35.03 34.39 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1kld n ASN 14 N -0.82 0.40 -4.53 3.14 3.02 -1.26 -4.54 115.26 110.67 1kld n ASN 14 Ca 0.14 -2.04 -0.15 0.00 -0.03 0.00 0.00 54.58 52.51 1kld n ASN 14 Cb 0.76 0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 40.46 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kld s VAL 17 N 1.36 3.33 0.19 0.00 0.11 -1.26 -3.38 120.40 120.75 1kld s VAL 17 Ca -0.03 0.67 0.05 0.00 -2.93 0.00 0.00 61.98 59.74 1kld s VAL 17 Cb -0.14 -3.43 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 1kld s VAL 17 CO -0.03 -0.02 0.19 -0.13 -3.33 0.00 0.00 175.10 171.79 1kld s ARG 18 N 2.99 3.03 0.44 1.54 0.52 -0.15 -4.43 118.95 122.89 1kld s ARG 18 Ca 0.72 -0.87 -0.26 0.00 -0.52 0.00 0.00 55.73 54.80 1kld s ARG 18 Cb -0.36 -2.69 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 1kld s ARG 18 CO 0.30 0.46 1.45 1.14 0.02 0.00 0.00 175.30 178.68 1kld s GLN 19 N -3.40 3.76 -0.33 3.54 -2.07 -1.26 -2.66 119.66 117.23 1kld s GLN 19 Ca 0.32 2.48 0.16 0.00 -1.82 0.00 0.00 55.36 56.50 1kld s GLN 19 Cb -0.09 -2.72 0.44 0.00 -1.09 0.00 0.00 33.01 29.55 1kld s GLN 19 CO 0.25 -0.79 1.23 -0.11 -1.32 0.00 0.00 175.29 174.56 1kld n LEU 20 N -0.08 -0.09 -4.55 2.60 7.94 -1.26 -4.79 117.00 116.78 1kld n LEU 20 Ca 0.04 -3.37 -0.51 0.00 -1.11 0.00 0.00 56.01 51.06 1kld n LEU 20 Cb 0.41 0.25 -0.05 0.00 0.53 0.00 0.00 43.42 44.57 1kld n LEU 20 CO 0.60 1.57 0.65 0.00 -1.11 0.00 0.00 177.39 179.09 1kld n TYR 21 N -0.67 1.04 -4.05 1.96 4.19 -1.26 -3.28 117.16 115.09 1kld n TYR 21 Ca -0.01 0.77 -0.32 0.00 3.31 0.00 0.00 57.90 61.65 1kld n TYR 21 Cb 0.84 -2.22 -0.16 0.00 0.49 0.00 0.00 39.34 38.29 1kld n TYR 21 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1kld s ILE 22 N -0.15 1.89 -0.93 2.97 1.01 -0.58 -4.85 121.20 120.57 1kld s ILE 22 Ca 0.77 -1.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.05 1kld s ILE 22 Cb -0.94 -1.90 0.08 0.00 0.01 0.00 0.00 42.46 39.70 1kld s ILE 22 CO 0.53 0.23 1.29 -0.62 0.00 0.00 0.00 174.94 176.36 1kld s ASP 23 N 1.29 6.47 0.00 3.58 -1.08 -1.26 -2.51 116.67 123.16 1kld s ASP 23 Ca -0.01 -1.49 0.00 0.00 -0.52 0.00 0.00 52.55 50.53 1kld s ASP 23 Cb -0.16 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1kld s ASP 23 CO -0.09 -1.40 0.00 0.49 0.52 0.00 0.00 175.17 174.69 1kld n PHE 24 N 8.09 0.00 0.08 -5.34 3.72 -0.62 0.20 117.46 123.59 1kld n PHE 24 Ca 0.24 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.41 1kld n PHE 24 Cb 0.50 -0.30 -0.15 0.00 -0.94 0.00 0.00 39.48 38.59 1kld n PHE 24 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1kld h ARG 25 N 0.00 0.40 -0.03 -1.08 9.65 -1.79 1.48 114.38 123.00 1kld h ARG 25 Ca 0.00 -0.68 -0.00 0.00 -1.10 0.00 0.00 59.98 58.20 1kld h ARG 25 Cb 0.00 0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1kld h ARG 25 CO 0.00 1.32 0.01 -0.22 2.80 0.00 0.00 179.97 183.88 1kld h LYS 26 N -0.01 0.05 0.00 0.20 3.64 0.19 -1.67 116.57 118.96 1kld h LYS 26 Ca -0.30 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1kld h LYS 26 Cb 2.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1kld h LYS 26 CO 0.18 0.22 -0.47 -0.44 -2.27 0.00 0.00 179.45 176.67 1kld h ASP 27 N -0.13 0.00 0.84 4.20 3.32 -1.36 -3.41 116.42 119.88 1kld h ASP 27 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1kld h ASP 27 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1kld h ASP 27 CO -0.00 0.73 -0.57 0.18 -1.72 0.00 0.00 179.24 177.86 1kld n LEU 28 N -4.59 0.66 -0.80 1.55 4.77 -0.99 -4.90 117.00 112.69 1kld n LEU 28 Ca -0.07 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1kld n LEU 28 Cb 0.25 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1kld n LEU 28 CO 0.10 -0.03 -0.10 0.61 -1.33 0.00 0.00 177.39 176.64 1kld n GLY 29 N 1.36 0.98 3.64 -0.72 0.00 0.48 -4.82 105.19 106.11 1kld n GLY 29 Ca 0.04 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.47 1kld n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kld n TRP 30 N -2.16 1.55 0.79 1.61 7.02 0.21 -4.78 117.44 121.67 1kld n TRP 30 Ca -0.10 0.81 0.09 0.00 -1.02 0.00 0.00 57.50 57.27 1kld n TRP 30 Cb 0.58 -2.30 -0.10 0.00 -2.42 0.00 0.00 31.31 27.07 1kld n TRP 30 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1kld n LYS 31 N 3.49 1.03 0.00 -0.99 5.02 -1.26 -4.25 118.16 121.20 1kld n LYS 31 Ca 0.24 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1kld n LYS 31 Cb 0.09 -1.35 0.47 0.00 -0.02 0.00 0.00 35.03 34.22 1kld n LYS 31 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1kld n TRP 32 N -1.48 0.00 -4.85 2.13 4.27 -1.26 -4.79 117.44 111.47 1kld n TRP 32 Ca 0.03 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.35 1kld n TRP 32 Cb 0.29 -0.11 -0.17 0.00 -1.36 0.00 0.00 31.31 29.97 1kld n TRP 32 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1kld s ILE 33 N -2.37 1.70 -0.21 -1.67 1.01 -1.26 -4.01 121.20 114.38 1kld s ILE 33 Ca 0.29 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1kld s ILE 33 Cb 0.20 -1.51 -0.19 0.00 0.01 0.00 0.00 42.46 40.97 1kld s ILE 33 CO 0.47 0.48 0.02 1.57 0.00 0.00 0.00 174.94 177.47 1kld n HIS 34 N 3.79 0.61 -4.18 3.97 -0.00 -0.46 -4.93 115.22 114.02 1kld n HIS 34 Ca -0.20 0.19 -0.14 0.00 -0.00 0.00 0.00 57.72 57.57 1kld n HIS 34 Cb 0.52 -1.07 -0.11 0.00 -0.00 0.00 0.00 29.99 29.34 1kld n HIS 34 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1kld s GLU 35 N -2.48 0.87 0.94 1.57 2.02 -0.86 -4.38 118.70 116.37 1kld s GLU 35 Ca -0.31 -1.23 -0.15 0.00 0.02 0.00 0.00 54.97 53.30 1kld s GLU 35 Cb 0.09 -0.47 0.17 0.00 0.10 0.00 0.00 34.13 34.01 1kld s GLU 35 CO 0.62 0.06 1.24 -1.25 0.02 0.00 0.00 175.26 175.94 1kld s PRO 36 N -3.12 0.87 0.37 0.39 0.04 -1.26 -0.65 135.00 131.63 1kld s PRO 36 Ca 0.08 -0.15 0.09 0.00 0.04 0.00 0.00 61.00 61.06 1kld s PRO 36 Cb -0.01 -1.85 0.82 0.00 0.04 0.00 0.00 34.50 33.51 1kld s PRO 36 CO -0.01 -2.30 1.90 0.87 0.04 0.00 0.00 177.00 177.50 1kld h LYS 37 N -1.56 0.66 0.00 4.56 1.57 -1.97 -3.44 116.57 116.38 1kld h LYS 37 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1kld h LYS 37 Cb 1.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1kld h LYS 37 CO 0.48 0.44 0.00 0.41 -0.57 0.00 0.00 179.45 180.21 1kld n GLY 38 N -1.45 2.32 0.00 3.86 0.00 -1.26 -1.58 105.19 107.08 1kld n GLY 38 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1kld n GLY 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1kld n TYR 39 N 0.00 0.00 -2.95 1.61 4.11 -1.05 -4.87 117.16 114.01 1kld n TYR 39 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.46 1kld n TYR 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1kld n TYR 39 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1kld n HIS 40 N -0.01 4.94 -0.22 -3.48 8.25 -1.26 -1.52 115.22 121.92 1kld n HIS 40 Ca 0.00 -3.38 -0.09 0.00 -0.26 0.00 0.00 57.72 54.00 1kld n HIS 40 Cb 0.00 -2.16 0.04 0.00 1.12 0.00 0.00 29.99 28.98 1kld n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kld h ALA 41 N 7.07 0.86 -2.85 -1.41 0.00 -1.87 -3.38 119.26 117.68 1kld h ALA 41 Ca 0.31 -0.30 0.34 0.00 0.00 0.00 0.00 54.91 55.26 1kld h ALA 41 Cb 0.86 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1kld h ALA 41 CO 1.24 0.67 -0.56 0.09 0.00 0.00 0.00 179.25 180.70 1kld n ASN 42 N -4.18 -7.52 0.00 0.00 3.02 -1.21 -2.31 115.26 103.06 1kld n ASN 42 Ca 0.03 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 1kld n ASN 42 Cb 0.34 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1kld n ASN 42 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1kld n PHE 43 N -3.91 0.00 -4.14 3.10 -1.74 -1.09 -4.65 117.46 105.03 1kld n PHE 43 Ca -0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.72 1kld n PHE 43 Cb 0.58 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.46 1kld n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1kld s LEU 45 N -1.76 1.91 0.32 0.00 1.43 -1.22 -4.91 118.68 114.46 1kld s LEU 45 Ca -0.04 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1kld s LEU 45 Cb -0.09 0.65 0.00 0.00 0.03 0.00 0.00 46.19 46.78 1kld s LEU 45 CO 0.01 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1kld n GLY 46 N 0.05 -3.63 0.00 -3.19 0.00 -1.26 -3.63 105.19 93.53 1kld n GLY 46 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1kld n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kld n PRO 47 N -1.77 0.75 -4.00 1.61 -0.04 -1.26 -3.55 135.00 126.73 1kld n PRO 47 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1kld n PRO 47 Cb 0.19 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.56 1kld n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld n PRO 49 N -0.03 2.15 0.00 0.00 -0.04 -1.26 -4.79 135.00 131.03 1kld n PRO 49 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1kld n PRO 49 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1kld n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kld n TYR 50 N -0.08 0.00 0.22 0.54 4.01 -1.26 -4.29 117.16 116.29 1kld n TYR 50 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1kld n TYR 50 Cb 0.00 -0.11 0.47 0.00 -0.31 0.00 0.00 39.34 39.39 1kld n TYR 50 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 1kld h ILE 51 N 0.00 0.00 -1.80 -0.72 3.07 -1.96 -3.41 117.51 112.69 1kld h ILE 51 Ca 0.00 0.00 -0.23 0.00 1.55 0.00 0.00 64.86 66.18 1kld h ILE 51 Cb 0.00 0.38 0.13 0.00 -0.27 0.00 0.00 36.82 37.06 1kld h ILE 51 CO 0.00 0.00 -0.46 1.87 -1.05 0.00 0.00 178.15 178.51 1kld n TRP 52 N -2.30 -2.07 -1.55 0.16 -0.00 -1.26 -4.44 117.44 105.97 1kld n TRP 52 Ca -0.01 0.14 -0.15 0.00 -0.00 0.00 0.00 57.50 57.48 1kld n TRP 52 Cb 0.37 -1.40 -0.10 0.00 -0.00 0.00 0.00 31.31 30.18 1kld n TRP 52 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1kld n SER 53 N -0.41 1.23 -4.73 5.87 3.41 -1.26 -4.88 113.62 112.85 1kld n SER 53 Ca 0.04 -1.34 -0.39 0.00 -0.26 0.00 0.00 58.87 56.92 1kld n SER 53 Cb 0.35 -1.47 -0.05 0.00 -0.26 0.00 0.00 64.21 62.78 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1kld s LEU 54 N 12.31 4.36 -0.13 1.04 1.43 -1.26 -3.41 118.68 133.02 1kld s LEU 54 Ca 1.00 1.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.18 1kld s LEU 54 Cb -0.26 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1kld s LEU 54 CO 0.17 -0.04 -0.24 -0.67 0.23 0.00 0.00 176.35 175.79 1kld n ASP 55 N 3.37 1.38 -4.97 2.29 -0.08 -1.24 -4.93 116.55 112.37 1kld n ASP 55 Ca -0.03 0.25 -0.20 0.00 -1.51 0.00 0.00 54.79 53.30 1kld n ASP 55 Cb 0.51 -0.68 0.03 0.00 2.34 0.00 0.00 41.12 43.33 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1kld s THR 56 N -2.34 2.73 -0.04 5.18 -4.23 -1.26 -4.99 115.64 110.69 1kld s THR 56 Ca -0.20 -0.80 0.26 0.00 -1.18 0.00 0.00 61.69 59.77 1kld s THR 56 Cb 0.03 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 71.23 1kld s THR 56 CO 0.30 0.00 1.79 1.56 -0.54 0.00 0.00 174.62 177.73 1kld h GLN 57 N 0.24 0.00 0.00 3.99 1.08 -1.97 -2.67 115.11 115.78 1kld h GLN 57 Ca -0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1kld h GLN 57 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1kld h GLN 57 CO 0.48 0.13 0.00 0.98 -0.95 0.00 0.00 178.83 179.47 1kld n TYR 58 N -3.21 0.64 0.23 2.96 9.36 -1.26 -3.14 117.16 122.75 1kld n TYR 58 Ca 0.01 0.19 0.12 0.00 3.32 0.00 0.00 57.90 61.54 1kld n TYR 58 Cb 0.45 -0.81 0.44 0.00 -0.63 0.00 0.00 39.34 38.78 1kld n TYR 58 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1kld h SER 59 N 0.00 0.00 0.19 2.98 0.87 -1.77 -2.45 113.55 113.37 1kld h SER 59 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1kld h SER 59 Cb 0.65 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 1kld h SER 59 CO 0.00 0.15 -1.99 2.29 -0.53 0.00 0.00 176.83 176.76 1kld n LYS 60 N -3.25 0.72 0.25 2.24 2.85 -1.19 -2.46 118.16 117.33 1kld n LYS 60 Ca 0.01 0.25 -0.15 0.00 -1.05 0.00 0.00 58.31 57.37 1kld n LYS 60 Cb 0.44 -1.71 -0.08 0.00 -0.65 0.00 0.00 35.03 33.03 1kld n LYS 60 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1kld h VAL 61 N 0.05 0.48 -0.45 0.58 2.07 -1.57 -2.93 116.25 114.48 1kld h VAL 61 Ca -0.41 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1kld h VAL 61 Cb 2.03 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1kld h VAL 61 CO 0.07 0.05 -0.19 0.25 0.02 0.00 0.00 177.57 177.78 1kld h LEU 62 N -0.85 0.90 -1.73 2.57 5.85 -1.63 -1.14 115.31 119.28 1kld h LEU 62 Ca -0.07 -0.32 0.36 0.00 0.84 0.00 0.00 57.88 58.70 1kld h LEU 62 Cb 0.58 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1kld h LEU 62 CO 0.11 1.07 0.87 0.00 -0.34 0.00 0.00 178.44 180.14 1kld h ALA 63 N 1.00 2.90 0.08 1.25 0.00 -1.42 0.59 119.26 123.66 1kld h ALA 63 Ca 0.11 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 1kld h ALA 63 Cb 0.73 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1kld h ALA 63 CO 0.06 -1.33 -1.87 1.28 0.00 0.00 0.00 179.25 177.38 1kld n LEU 64 N -4.36 1.92 -0.24 0.00 4.77 -0.91 -2.46 117.00 115.72 1kld n LEU 64 Ca 0.29 0.30 0.29 0.00 -0.03 0.00 0.00 56.01 56.86 1kld n LEU 64 Cb 1.26 -0.60 0.69 0.00 -2.33 0.00 0.00 43.42 42.44 1kld n LEU 64 CO 0.34 0.66 1.27 0.22 -1.33 0.00 0.00 177.39 178.55 1kld h TYR 65 N 0.04 0.13 0.01 -1.77 5.03 0.14 0.25 116.97 120.80 1kld h TYR 65 Ca -0.37 0.00 -0.37 0.00 2.58 0.00 0.00 58.73 60.58 1kld h TYR 65 Cb 2.03 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 40.22 1kld h TYR 65 CO 0.05 0.02 -2.04 -1.71 -1.32 0.00 0.00 178.16 173.16 1kld n ASN 66 N -4.31 1.93 0.12 -2.11 5.15 -0.60 -3.59 115.26 111.86 1kld n ASN 66 Ca 0.21 0.33 0.07 0.00 -0.60 0.00 0.00 54.58 54.59 1kld n ASN 66 Cb 1.01 -0.85 0.35 0.00 -0.53 0.00 0.00 39.78 39.76 1kld n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kld n GLN 67 N -4.21 0.08 -0.08 1.20 1.13 -0.84 -1.38 117.38 113.28 1kld n GLN 67 Ca -0.45 0.55 -0.22 0.00 -1.94 0.00 0.00 57.00 54.95 1kld n GLN 67 Cb 0.83 -1.90 -0.12 0.00 0.11 0.00 0.00 30.24 29.15 1kld n GLN 67 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1kld n HIS 68 N -1.95 0.63 -3.31 1.08 8.25 0.82 -4.82 115.22 115.91 1kld n HIS 68 Ca -0.01 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 1kld n HIS 68 Cb 0.14 -1.08 -0.08 0.00 1.12 0.00 0.00 29.99 30.09 1kld n HIS 68 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1kld s ASN 69 N -6.91 6.28 -0.69 0.41 0.01 -0.48 -5.01 114.94 108.54 1kld s ASN 69 Ca -0.30 -0.02 -0.27 0.00 -0.71 0.00 0.00 52.86 51.56 1kld s ASN 69 Cb 0.08 -2.24 0.02 0.00 0.41 0.00 0.00 41.25 39.52 1kld s ASN 69 CO 0.65 -0.39 1.43 -2.16 -1.51 0.00 0.00 177.10 175.12 1kld s PRO 70 N 2.24 3.06 0.00 -0.60 0.04 -1.26 -3.10 135.00 135.38 1kld s PRO 70 Ca 0.16 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1kld s PRO 70 Cb -0.16 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1kld s PRO 70 CO 0.12 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1kld n GLY 71 N 5.45 1.96 3.57 0.56 0.00 -1.26 -5.11 105.19 110.36 1kld n GLY 71 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1kld n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kld s ALA 72 N -1.96 3.39 -0.70 4.61 0.00 -1.18 -4.98 121.76 120.93 1kld s ALA 72 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1kld s ALA 72 Cb 0.00 -2.14 0.33 0.00 0.00 0.00 0.00 23.12 21.31 1kld s ALA 72 CO 0.00 -0.22 2.14 0.43 0.00 0.00 0.00 175.76 178.11 1kld n SER 73 N 4.36 7.37 -0.14 0.00 7.64 -1.26 -4.31 113.62 127.28 1kld n SER 73 Ca -0.16 -3.68 0.06 0.00 1.01 0.00 0.00 58.87 56.10 1kld n SER 73 Cb 0.52 -1.07 0.09 0.00 -1.01 0.00 0.00 64.21 62.74 1kld n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kld n ALA 74 N -0.39 2.12 -0.69 -0.43 0.00 -1.26 -5.06 120.51 114.79 1kld n ALA 74 Ca 0.54 -1.99 -0.06 0.00 0.00 0.00 0.00 53.44 51.93 1kld n ALA 74 Cb 0.43 -0.33 0.10 0.00 0.00 0.00 0.00 19.45 19.64 1kld n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kld n ALA 75 N -0.97 -1.80 -1.00 0.00 0.00 -1.26 -4.88 120.51 110.60 1kld n ALA 75 Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1kld n ALA 75 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1kld n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1kld n PRO 76 N -2.00 0.83 -3.42 0.00 -0.04 -1.26 -5.00 135.00 124.10 1kld n PRO 76 Ca 0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 1kld n PRO 76 Cb 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.56 1kld n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld s VAL 79 N -0.57 0.00 -0.20 0.00 -7.23 -0.30 -4.67 120.40 107.43 1kld s VAL 79 Ca 0.61 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 1kld s VAL 79 Cb -0.57 -2.35 -0.00 0.00 0.56 0.00 0.00 36.38 34.02 1kld s VAL 79 CO 0.56 0.00 1.12 -2.16 -0.31 0.00 0.00 175.10 174.31 1kld s PRO 80 N -4.08 4.26 -0.19 4.82 0.04 -1.26 0.15 135.00 138.74 1kld s PRO 80 Ca 0.31 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1kld s PRO 80 Cb 0.03 -3.68 -0.07 0.00 0.04 0.00 0.00 34.50 30.82 1kld s PRO 80 CO 0.11 -0.64 -0.31 0.94 0.04 0.00 0.00 177.00 177.13 1kld n GLN 81 N 6.36 0.49 -3.01 4.56 7.27 -0.64 -4.82 117.38 127.58 1kld n GLN 81 Ca 0.13 0.20 -0.44 0.00 0.07 0.00 0.00 57.00 56.96 1kld n GLN 81 Cb 0.46 -1.34 -0.04 0.00 2.41 0.00 0.00 30.24 31.73 1kld n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kld s ALA 82 N -2.66 3.34 0.43 1.69 0.00 -1.20 -5.01 121.76 118.35 1kld s ALA 82 Ca -0.29 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1kld s ALA 82 Cb 0.07 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1kld s ALA 82 CO 0.40 -2.58 0.00 1.28 0.00 0.00 0.00 175.76 174.86 1kld n LEU 83 N 6.70 0.00 -3.85 0.00 4.77 -1.26 -0.72 117.00 122.64 1kld n LEU 83 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1kld n LEU 83 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1kld n LEU 83 CO 0.58 -0.26 0.21 -1.61 -1.33 0.00 0.00 177.39 174.97 1kld s GLU 84 N -0.46 1.40 0.00 3.23 2.02 -0.93 -4.66 118.70 119.30 1kld s GLU 84 Ca 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1kld s GLU 84 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.72 1kld s GLU 84 CO 0.00 -0.58 0.00 -0.35 0.02 0.00 0.00 175.26 174.35 1kld n PRO 85 N -0.33 0.28 -3.15 0.39 -0.04 -1.26 0.41 135.00 131.30 1kld n PRO 85 Ca -0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1kld n PRO 85 Cb 0.62 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.07 1kld n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1kld s LEU 86 N 0.00 -1.06 -0.18 1.53 2.96 0.21 -4.29 118.68 117.84 1kld s LEU 86 Ca 0.00 0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 1kld s LEU 86 Cb 0.00 1.86 -0.01 0.00 0.50 0.00 0.00 46.19 48.54 1kld s LEU 86 CO 0.00 -0.20 1.31 -2.16 -1.32 0.00 0.00 176.35 173.98 1kld s PRO 87 N 2.89 4.16 0.00 0.98 0.04 -1.26 0.36 135.00 142.17 1kld s PRO 87 Ca 0.13 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1kld s PRO 87 Cb -0.12 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1kld s PRO 87 CO -0.18 -0.81 0.00 0.44 0.04 0.00 0.00 177.00 176.49 1kld n ILE 88 N 5.57 0.00 -3.18 0.56 -5.35 -0.91 -4.34 119.36 111.71 1kld n ILE 88 Ca 0.14 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.66 1kld n ILE 88 Cb 0.45 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.34 1kld n ILE 88 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1kld s VAL 89 N -0.52 -0.84 0.15 7.28 1.01 0.18 -2.97 120.40 124.68 1kld s VAL 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1kld s VAL 89 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1kld s VAL 89 CO 0.00 0.00 0.01 0.00 0.00 0.00 0.00 175.10 175.11 1kld n TYR 90 N 5.43 0.25 -4.44 5.22 4.11 -0.48 -1.35 117.16 125.90 1kld n TYR 90 Ca -0.03 -0.71 -0.27 0.00 -0.00 0.00 0.00 57.90 56.89 1kld n TYR 90 Cb 0.52 -0.10 -0.17 0.00 -0.00 0.00 0.00 39.34 39.59 1kld n TYR 90 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1kld s TYR 91 N -1.48 1.67 -0.78 -3.48 2.02 -1.26 -1.64 117.35 112.40 1kld s TYR 91 Ca 0.00 -0.72 -0.13 0.00 -0.37 0.00 0.00 57.07 55.85 1kld s TYR 91 Cb -0.00 -1.24 0.21 0.00 -0.40 0.00 0.00 41.96 40.53 1kld s TYR 91 CO 0.00 -0.39 0.71 0.08 -1.57 0.00 0.00 175.55 174.38 1kld s VAL 92 N 0.95 5.38 0.00 0.71 1.01 -0.68 -4.79 120.40 122.99 1kld s VAL 92 Ca -0.08 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 59.46 1kld s VAL 92 Cb -0.15 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1kld s VAL 92 CO -0.00 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.71 1kld n GLY 93 N 4.04 2.28 0.00 4.51 0.00 -1.26 -2.97 105.19 111.78 1kld n GLY 93 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1kld n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kld n ARG 94 N 0.00 0.00 -3.71 1.61 5.12 -1.26 -5.07 116.66 113.35 1kld n ARG 94 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 1kld n ARG 94 Cb 0.00 -0.25 -0.09 0.00 -1.16 0.00 0.00 32.46 30.96 1kld n ARG 94 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1kld s LYS 95 N 0.00 4.09 0.23 5.56 1.02 -1.16 -5.07 119.74 124.41 1kld s LYS 95 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1kld s LYS 95 Cb 0.00 -3.48 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 1kld s LYS 95 CO 0.00 0.14 1.00 -1.25 -0.92 0.00 0.00 175.35 174.31 1kld s PRO 96 N 0.82 4.76 0.03 -1.68 0.04 -1.26 -1.69 135.00 136.02 1kld s PRO 96 Ca 0.07 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 1kld s PRO 96 Cb -0.13 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1kld s PRO 96 CO 0.02 0.37 0.08 0.15 0.04 0.00 0.00 177.00 177.66 1kld s LYS 97 N -1.02 0.52 -0.10 4.56 1.02 -0.65 -4.97 119.74 119.10 1kld s LYS 97 Ca 0.43 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.79 1kld s LYS 97 Cb -0.27 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1kld s LYS 97 CO 0.34 -0.12 -0.21 0.08 -0.92 0.00 0.00 175.35 174.53 1kld s VAL 98 N -2.17 2.40 0.00 3.17 1.01 -1.26 -1.39 120.40 122.16 1kld s VAL 98 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1kld s VAL 98 Cb -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1kld s VAL 98 CO -0.03 0.55 0.00 -0.62 0.00 0.00 0.00 175.10 175.01 1kld n GLU 99 N 3.36 1.66 -3.20 2.72 4.71 -1.16 -4.95 120.64 123.79 1kld n GLU 99 Ca -0.18 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.79 1kld n GLU 99 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.90 1kld n GLU 99 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1kld s GLN 100 N 1.06 0.89 0.44 3.49 -0.21 -1.25 -2.14 119.66 121.94 1kld s GLN 100 Ca 0.00 -1.51 -0.21 0.00 0.02 0.00 0.00 55.36 53.66 1kld s GLN 100 Cb 0.00 -0.84 -0.13 0.00 1.00 0.00 0.00 33.01 33.04 1kld s GLN 100 CO 0.00 -1.33 0.35 1.28 -2.12 0.00 0.00 175.29 173.48 1kld n LEU 101 N 3.20 -1.05 -4.76 2.90 4.77 0.16 -4.20 117.00 118.02 1kld n LEU 101 Ca 0.22 0.84 -0.36 0.00 -0.03 0.00 0.00 56.01 56.68 1kld n LEU 101 Cb 0.50 -1.03 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1kld n LEU 101 CO 0.05 -3.45 -0.20 -0.55 -1.33 0.00 0.00 177.39 171.91 1kld s SER 102 N -1.00 6.07 -1.68 -1.43 0.15 -1.26 0.67 113.70 115.22 1kld s SER 102 Ca 0.62 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 1kld s SER 102 Cb -0.58 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1kld s SER 102 CO 0.60 0.29 0.19 0.59 1.20 0.00 0.00 173.24 176.10 1kld n ASN 103 N 2.79 -5.87 -1.56 5.45 4.13 0.07 -4.83 115.26 115.45 1kld n ASN 103 Ca -0.18 -0.09 0.01 0.00 1.68 0.00 0.00 54.58 56.00 1kld n ASN 103 Cb 0.53 -4.84 0.26 0.00 -1.54 0.00 0.00 39.78 34.19 1kld n ASN 103 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1kld n MET 104 N -3.32 3.47 -3.88 3.52 1.56 0.17 -4.66 117.12 113.97 1kld n MET 104 Ca -0.20 -2.22 -0.09 0.00 -0.27 0.00 0.00 57.70 54.92 1kld n MET 104 Cb 0.66 -2.01 -0.05 0.00 2.15 0.00 0.00 33.22 33.97 1kld n MET 104 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1kld s ILE 105 N -2.27 0.03 -0.03 1.12 1.01 -0.99 -4.79 121.20 115.29 1kld s ILE 105 Ca 0.39 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1kld s ILE 105 Cb 0.30 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 1kld s ILE 105 CO 0.11 -0.13 -0.23 -0.69 0.00 0.00 0.00 174.94 173.99 1kld s VAL 106 N -3.94 2.29 -0.01 2.92 1.01 -0.98 -2.20 120.40 119.49 1kld s VAL 106 Ca 0.15 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1kld s VAL 106 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1kld s VAL 106 CO 0.02 0.58 0.03 -1.14 0.00 0.00 0.00 175.10 174.59 1kld n ARG 107 N 2.44 1.63 -3.62 2.72 0.63 0.10 -4.86 116.66 115.70 1kld n ARG 107 Ca -0.16 -0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.65 1kld n ARG 107 Cb 0.51 -1.04 -0.07 0.00 0.45 0.00 0.00 32.46 32.31 1kld n ARG 107 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1kld s SER 108 N -2.64 -0.49 0.20 6.15 1.04 -1.20 -3.69 113.70 113.06 1kld s SER 108 Ca -0.01 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1kld s SER 108 Cb 0.01 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1kld s SER 108 CO 0.08 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.07 1kld n LYS 110 N -0.70 0.00 -3.61 0.00 5.02 0.40 -4.46 118.16 114.81 1kld n LYS 110 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1kld n LYS 110 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88