#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 5.69 0.00 0.00 4.77 -1.26 -4.73 117.00 121.47 1kld n LEU 2 Ca 0.00 -5.43 -0.19 0.00 -0.03 0.00 0.00 56.01 50.36 1kld n LEU 2 Cb 0.00 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1kld n LEU 2 CO 0.00 2.03 -0.08 -0.90 -1.33 0.00 0.00 177.39 177.11 1kld n ASP 3 N 0.45 2.62 0.00 -1.43 5.68 -1.26 -1.72 116.55 120.89 1kld n ASP 3 Ca 0.34 -2.35 0.03 0.00 -0.50 0.00 0.00 54.79 52.31 1kld n ASP 3 Cb 0.34 0.13 0.19 0.00 -1.14 0.00 0.00 41.12 40.65 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 -1.01 0.00 -0.12 2.12 -2.24 -1.26 -2.44 114.28 109.34 1kld n THR 4 Ca -0.09 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 1kld n THR 4 Cb 0.41 -0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.61 1.97 0.14 3.42 2.85 -1.26 -3.37 115.26 118.40 1kld n ASN 5 Ca 0.05 0.19 0.12 0.00 -0.11 0.00 0.00 54.58 54.83 1kld n ASN 5 Cb 0.02 -0.72 0.13 0.00 1.24 0.00 0.00 39.78 40.45 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1kld h TYR 6 N -0.59 0.00 0.00 1.20 3.20 -1.84 -3.29 116.97 115.64 1kld h TYR 6 Ca -0.60 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.22 1kld h TYR 6 Cb 1.70 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 1kld h TYR 6 CO -0.01 0.00 -1.30 0.00 -1.64 0.00 0.00 178.16 175.21 1kld n PHE 8 N -2.67 0.00 0.00 0.00 3.01 -1.22 -4.73 117.46 111.85 1kld n PHE 8 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1kld n PHE 8 Cb 0.64 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1kld n PHE 8 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1kld n SER 9 N -1.36 0.00 -0.09 4.37 7.64 -1.25 -4.99 113.62 117.95 1kld n SER 9 Ca 0.10 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.99 1kld n SER 9 Cb 0.24 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 1kld n SER 9 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1kld n SER 10 N 0.00 1.17 -4.86 6.43 2.88 -1.26 -5.03 113.62 112.94 1kld n SER 10 Ca 0.00 -1.08 -0.23 0.00 -1.33 0.00 0.00 58.87 56.23 1kld n SER 10 Cb 0.00 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 1kld n SER 10 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1kld s THR 11 N -0.20 2.29 0.00 2.46 -1.32 -1.26 -5.12 115.64 112.49 1kld s THR 11 Ca 0.03 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 1kld s THR 11 Cb 0.02 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 1kld s THR 11 CO 0.03 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 173.65 1kld n GLU 12 N -1.56 0.00 0.01 7.08 0.00 -1.26 -4.79 120.64 120.11 1kld n GLU 12 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1kld n GLU 12 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.07 1kld n GLU 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1kld n LYS 13 N -1.06 0.00 0.00 5.31 0.00 -1.26 -5.12 118.16 116.03 1kld n LYS 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1kld n LYS 13 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 34.61 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 -2.98 0.00 -4.59 3.14 4.13 -1.26 -5.03 115.26 108.67 1kld n ASN 14 Ca 0.00 0.00 -0.59 0.00 1.68 0.00 0.00 54.58 55.67 1kld n ASN 14 Cb 0.37 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.52 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kld s VAL 17 N 2.00 3.74 0.12 0.00 0.11 -1.26 -3.32 120.40 121.79 1kld s VAL 17 Ca -0.07 1.05 0.04 0.00 -2.93 0.00 0.00 61.98 60.07 1kld s VAL 17 Cb -0.09 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1kld s VAL 17 CO -0.15 -0.04 0.08 -0.13 -3.33 0.00 0.00 175.10 171.53 1kld s ARG 18 N 2.97 2.79 0.63 1.54 0.52 -0.54 -4.30 118.95 122.57 1kld s ARG 18 Ca 0.65 -0.82 -0.17 0.00 -0.52 0.00 0.00 55.73 54.87 1kld s ARG 18 Cb -0.31 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 1kld s ARG 18 CO 0.26 0.52 0.75 0.00 0.02 0.00 0.00 175.30 176.85 1kld n GLN 19 N 0.12 0.62 -2.69 3.54 10.64 -1.26 -2.81 117.38 125.54 1kld n GLN 19 Ca -0.09 0.25 -0.04 0.00 -1.83 0.00 0.00 57.00 55.29 1kld n GLN 19 Cb 0.53 -1.97 0.12 0.00 -0.86 0.00 0.00 30.24 28.06 1kld n GLN 19 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1kld n LEU 20 N -0.42 -1.37 -4.55 2.61 7.94 -1.26 -4.73 117.00 115.22 1kld n LEU 20 Ca 0.13 -3.31 -0.51 0.00 -1.11 0.00 0.00 56.01 51.21 1kld n LEU 20 Cb 0.48 0.10 -0.05 0.00 0.53 0.00 0.00 43.42 44.48 1kld n LEU 20 CO 0.50 1.74 0.63 0.00 -1.11 0.00 0.00 177.39 179.15 1kld n TYR 21 N -1.14 1.00 -4.05 1.96 4.19 -1.26 -3.42 117.16 114.43 1kld n TYR 21 Ca -0.11 0.78 -0.31 0.00 3.31 0.00 0.00 57.90 61.56 1kld n TYR 21 Cb 0.86 -2.21 -0.16 0.00 0.49 0.00 0.00 39.34 38.32 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 -0.16 1.86 -0.88 2.97 1.01 -0.69 -4.87 121.20 120.44 1kld s ILE 22 Ca 0.77 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 1kld s ILE 22 Cb -0.95 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 39.75 1kld s ILE 22 CO 0.53 0.29 1.24 -0.62 0.00 0.00 0.00 174.94 176.38 1kld s ASP 23 N 1.32 6.41 0.00 3.58 2.15 -1.26 -2.48 116.67 126.39 1kld s ASP 23 Ca 0.00 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.65 1kld s ASP 23 Cb -0.15 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1kld s ASP 23 CO -0.09 -1.45 0.00 0.49 -0.17 0.00 0.00 175.17 173.95 1kld n PHE 24 N 8.16 0.00 0.05 -5.34 3.72 -0.40 0.19 117.46 123.83 1kld n PHE 24 Ca 0.18 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.37 1kld n PHE 24 Cb 0.49 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.60 1kld n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kld h ARG 25 N 0.00 0.33 -0.05 -1.08 3.08 -1.79 0.86 114.38 115.73 1kld h ARG 25 Ca 0.00 -0.56 -0.00 0.00 0.07 0.00 0.00 59.98 59.49 1kld h ARG 25 Cb 0.00 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1kld h ARG 25 CO 0.00 1.23 0.02 -0.22 -1.07 0.00 0.00 179.97 179.93 1kld h LYS 26 N 0.09 0.08 0.00 0.04 3.64 0.17 -0.76 116.57 119.82 1kld h LYS 26 Ca -0.35 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1kld h LYS 26 Cb 2.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1kld h LYS 26 CO 0.15 0.23 -0.52 -0.44 -2.27 0.00 0.00 179.45 176.60 1kld h ASP 27 N -0.09 0.00 0.94 4.20 3.32 -1.38 -3.40 116.42 120.01 1kld h ASP 27 Ca 0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1kld h ASP 27 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1kld h ASP 27 CO -0.00 0.79 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.59 1kld h LEU 28 N -1.00 0.00 0.45 1.55 3.38 -1.62 -3.47 115.31 114.60 1kld h LEU 28 Ca -0.03 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1kld h LEU 28 Cb 0.53 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1kld h LEU 28 CO -0.02 0.08 -0.18 0.61 0.09 0.00 0.00 178.44 179.03 1kld n GLY 29 N 1.30 0.92 3.55 0.83 0.00 0.28 -4.84 105.19 107.23 1kld n GLY 29 Ca 0.03 -0.02 -0.54 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.21 1.10 0.48 1.61 7.02 -0.03 -4.79 117.44 120.63 1kld n TRP 30 Ca -0.10 0.81 0.05 0.00 -1.02 0.00 0.00 57.50 57.24 1kld n TRP 30 Cb 0.57 -2.23 -0.06 0.00 -2.42 0.00 0.00 31.31 27.17 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 2.01 3.26 0.00 -0.99 5.02 -1.26 -4.40 118.16 121.79 1kld n LYS 31 Ca 0.19 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 1kld n LYS 31 Cb 0.16 -1.03 0.53 0.00 -0.02 0.00 0.00 35.03 34.67 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 -1.29 0.00 -4.94 2.13 4.27 -1.26 -4.79 117.44 111.56 1kld n TRP 32 Ca 0.02 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.34 1kld n TRP 32 Cb 0.18 -0.09 -0.17 0.00 -1.36 0.00 0.00 31.31 29.87 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 -2.30 1.64 -0.22 -1.67 1.01 -1.26 -4.21 121.20 114.19 1kld s ILE 33 Ca 0.32 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1kld s ILE 33 Cb 0.20 -1.44 -0.18 0.00 0.01 0.00 0.00 42.46 41.05 1kld s ILE 33 CO 0.44 0.47 -0.01 1.57 0.00 0.00 0.00 174.94 177.41 1kld n HIS 34 N 3.56 0.58 -4.16 3.97 -0.00 -0.32 -4.96 115.22 113.89 1kld n HIS 34 Ca -0.20 0.19 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 1kld n HIS 34 Cb 0.52 -1.07 -0.10 0.00 -0.00 0.00 0.00 29.99 29.35 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 -2.47 0.81 1.01 1.57 2.02 -0.98 -4.43 118.70 116.23 1kld s GLU 35 Ca -0.32 -1.25 -0.17 0.00 0.02 0.00 0.00 54.97 53.25 1kld s GLU 35 Cb 0.09 -0.26 0.22 0.00 0.10 0.00 0.00 34.13 34.27 1kld s GLU 35 CO 0.60 0.00 1.26 -1.25 0.02 0.00 0.00 175.26 175.89 1kld s PRO 36 N -3.45 0.24 0.37 0.39 0.04 -1.26 -0.48 135.00 130.85 1kld s PRO 36 Ca 0.09 -0.29 0.06 0.00 0.04 0.00 0.00 61.00 60.90 1kld s PRO 36 Cb 0.02 -1.79 0.76 0.00 0.04 0.00 0.00 34.50 33.53 1kld s PRO 36 CO -0.03 -2.70 1.98 0.87 0.04 0.00 0.00 177.00 177.15 1kld h LYS 37 N -1.85 0.71 0.00 4.56 1.57 -1.98 -3.44 116.57 116.14 1kld h LYS 37 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1kld h LYS 37 Cb 1.25 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1kld h LYS 37 CO 0.39 0.47 0.00 0.41 -0.57 0.00 0.00 179.45 180.14 1kld n GLY 38 N -1.45 2.37 3.57 3.86 0.00 -1.26 -1.28 105.19 111.00 1kld n GLY 38 Ca 0.09 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1kld n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kld s TYR 39 N -1.49 -0.00 -1.08 1.61 1.13 -1.03 -4.86 117.35 111.62 1kld s TYR 39 Ca 0.00 -0.00 -0.19 0.00 -1.41 0.00 0.00 57.07 55.46 1kld s TYR 39 Cb 0.00 0.50 0.09 0.00 -1.10 0.00 0.00 41.96 41.46 1kld s TYR 39 CO 0.00 -0.01 1.42 -1.01 -2.51 0.00 0.00 175.55 173.43 1kld s HIS 40 N -2.02 2.89 0.10 -3.49 3.76 -1.26 -1.71 115.29 113.55 1kld s HIS 40 Ca 0.14 -1.35 -0.13 0.00 -0.15 0.00 0.00 55.06 53.57 1kld s HIS 40 Cb 0.06 -4.54 -0.15 0.00 1.11 0.00 0.00 32.58 29.07 1kld s HIS 40 CO -0.06 -1.71 1.32 0.00 -0.85 0.00 0.00 174.74 173.44 1kld h ALA 41 N 8.67 0.32 -2.84 -1.40 0.00 -1.87 -3.39 119.26 118.76 1kld h ALA 41 Ca 0.26 -0.56 0.34 0.00 0.00 0.00 0.00 54.91 54.94 1kld h ALA 41 Cb 0.96 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1kld h ALA 41 CO 1.32 0.63 -0.55 0.09 0.00 0.00 0.00 179.25 180.74 1kld n ASN 42 N -4.00 -7.50 0.00 0.00 3.02 -1.22 -2.16 115.26 103.40 1kld n ASN 42 Ca -0.07 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1kld n ASN 42 Cb 0.70 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -3.90 0.00 -4.20 3.10 -1.74 -1.12 -4.69 117.46 104.90 1kld n PHE 43 Ca -0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.74 1kld n PHE 43 Cb 0.58 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 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 -2.60 1.11 0.11 0.00 1.43 -1.21 -4.90 118.68 112.62 1kld s LEU 45 Ca 0.08 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1kld s LEU 45 Cb -0.02 1.11 0.00 0.00 0.03 0.00 0.00 46.19 47.31 1kld s LEU 45 CO 0.01 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1kld n GLY 46 N 0.99 -3.05 0.00 -3.19 0.00 -1.26 -3.67 105.19 95.01 1kld n GLY 46 Ca -0.20 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.66 0.90 -3.94 1.61 -0.04 -1.26 -3.79 135.00 126.81 1kld n PRO 47 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1kld n PRO 47 Cb 0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.06 2.25 -0.00 0.00 -0.04 -1.26 -4.81 135.00 131.08 1kld n PRO 49 Ca -0.13 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 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 -0.07 0.04 0.32 0.54 4.01 -1.26 -4.33 117.16 116.41 1kld n TYR 50 Ca 0.00 0.02 0.18 0.00 -0.16 0.00 0.00 57.90 57.94 1kld n TYR 50 Cb 0.00 -0.23 0.97 0.00 -0.31 0.00 0.00 39.34 39.76 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 -0.05 0.00 -2.18 -0.72 3.07 -1.96 -3.42 117.51 112.25 1kld h ILE 51 Ca 0.00 0.00 -0.61 0.00 1.55 0.00 0.00 64.86 65.80 1kld h ILE 51 Cb 0.03 0.78 0.15 0.00 -0.27 0.00 0.00 36.82 37.51 1kld h ILE 51 CO 0.00 0.00 -0.55 1.87 -1.05 0.00 0.00 178.15 178.42 1kld n TRP 52 N -2.90 -0.92 -1.12 0.16 -0.00 -1.26 -4.31 117.44 107.09 1kld n TRP 52 Ca -0.02 0.61 -0.22 0.00 -0.00 0.00 0.00 57.50 57.86 1kld n TRP 52 Cb 0.22 -1.93 -0.15 0.00 -0.00 0.00 0.00 31.31 29.45 1kld n TRP 52 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1kld n SER 53 N 1.53 -0.56 -4.72 5.87 2.88 -1.26 -4.82 113.62 112.53 1kld n SER 53 Ca 0.12 -0.19 -0.38 0.00 -1.33 0.00 0.00 58.87 57.09 1kld n SER 53 Cb 0.40 -0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1kld s LEU 54 N 2.77 4.28 -0.17 2.46 1.43 -1.26 -4.04 118.68 124.14 1kld s LEU 54 Ca 1.00 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1kld s LEU 54 Cb -0.76 -2.75 -0.22 0.00 0.03 0.00 0.00 46.19 42.48 1kld s LEU 54 CO 0.40 -0.02 0.14 -0.67 0.23 0.00 0.00 176.35 176.43 1kld n ASP 55 N 3.69 2.07 -4.49 2.29 2.03 -1.25 -4.94 116.55 115.94 1kld n ASP 55 Ca -0.06 0.10 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 1kld n ASP 55 Cb 0.52 -0.71 -0.11 0.00 -0.72 0.00 0.00 41.12 40.10 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1kld s THR 56 N -2.54 2.84 0.45 5.18 -4.23 -1.26 -5.01 115.64 111.08 1kld s THR 56 Ca -0.27 -1.57 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 1kld s THR 56 Cb 0.08 -2.32 0.27 0.00 1.34 0.00 0.00 72.50 71.86 1kld s THR 56 CO 0.70 0.05 2.10 -0.61 -0.54 0.00 0.00 174.62 176.32 1kld h GLN 57 N 3.58 0.33 -0.16 3.99 5.75 -1.97 -0.87 115.11 125.76 1kld h GLN 57 Ca -0.49 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 57.93 1kld h GLN 57 Cb 1.18 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1kld h GLN 57 CO 0.47 0.22 -0.16 -0.92 -2.65 0.00 0.00 178.83 175.78 1kld h TYR 58 N 0.34 0.27 0.00 3.99 3.20 -1.95 -1.52 116.97 121.30 1kld h TYR 58 Ca 0.09 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1kld h TYR 58 Cb -0.04 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1kld h TYR 58 CO -0.00 0.42 0.02 0.66 -1.64 0.00 0.00 178.16 177.62 1kld h SER 59 N 0.24 0.00 0.02 -2.11 4.64 -1.42 -1.50 113.55 113.41 1kld h SER 59 Ca 0.05 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 1kld h SER 59 Cb 0.44 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 1kld h SER 59 CO 0.03 0.00 -1.68 1.17 -0.87 0.00 0.00 176.83 175.48 1kld n LYS 60 N -2.51 0.60 0.27 4.77 4.81 -0.58 -2.88 118.16 122.64 1kld n LYS 60 Ca -0.02 0.45 -0.16 0.00 -0.87 0.00 0.00 58.31 57.71 1kld n LYS 60 Cb 0.06 -1.68 -0.08 0.00 0.02 0.00 0.00 35.03 33.35 1kld n LYS 60 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1kld h VAL 61 N -0.81 0.42 -0.05 3.15 2.07 -1.33 -2.28 116.25 117.42 1kld h VAL 61 Ca -0.44 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1kld h VAL 61 Cb 1.49 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1kld h VAL 61 CO -0.21 0.00 -0.22 0.25 0.02 0.00 0.00 177.57 177.41 1kld h LEU 62 N -0.71 0.08 -1.51 2.57 5.85 -1.50 -1.11 115.31 118.97 1kld h LEU 62 Ca -0.05 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.82 1kld h LEU 62 Cb 0.58 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1kld h LEU 62 CO 0.06 0.31 0.55 0.00 -0.34 0.00 0.00 178.44 179.02 1kld h ALA 63 N 1.70 2.11 0.07 1.25 0.00 -1.28 -0.63 119.26 122.48 1kld h ALA 63 Ca 0.01 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 1kld h ALA 63 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1kld h ALA 63 CO 0.03 -0.35 -1.84 -0.07 0.00 0.00 0.00 179.25 177.02 1kld h LEU 64 N 0.45 0.23 -1.95 0.00 3.38 -1.18 -2.76 115.31 113.48 1kld h LEU 64 Ca 0.42 -0.50 0.31 0.00 0.09 0.00 0.00 57.88 58.20 1kld h LEU 64 Cb 0.95 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1kld h LEU 64 CO -0.15 1.45 0.76 0.22 0.09 0.00 0.00 178.44 180.81 1kld h TYR 65 N 0.04 0.05 0.01 1.13 3.20 0.10 0.22 116.97 121.71 1kld h TYR 65 Ca -0.35 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.15 1kld h TYR 65 Cb 2.03 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 40.23 1kld h TYR 65 CO 0.04 0.01 -2.03 -1.71 -1.64 0.00 0.00 178.16 172.83 1kld n ASN 66 N -4.24 1.93 0.12 -2.11 5.15 -0.75 -3.62 115.26 111.73 1kld n ASN 66 Ca 0.23 0.34 0.06 0.00 -0.60 0.00 0.00 54.58 54.61 1kld n ASN 66 Cb 1.11 -0.86 0.34 0.00 -0.53 0.00 0.00 39.78 39.84 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 -4.23 0.08 -0.10 1.20 1.13 -0.73 -1.71 117.38 113.02 1kld n GLN 67 Ca -0.45 0.54 -0.24 0.00 -1.94 0.00 0.00 57.00 54.91 1kld n GLN 67 Cb 0.82 -1.92 -0.11 0.00 0.11 0.00 0.00 30.24 29.14 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 -1.94 0.62 -3.31 1.08 8.25 0.69 -4.83 115.22 115.77 1kld n HIS 68 Ca -0.01 0.23 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 1kld n HIS 68 Cb 0.17 -1.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.13 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 -7.07 6.27 -0.43 0.41 -0.87 -0.69 -5.02 114.94 107.54 1kld s ASN 69 Ca -0.32 0.01 -0.29 0.00 -1.57 0.00 0.00 52.86 50.69 1kld s ASN 69 Cb 0.09 -2.24 0.02 0.00 -0.02 0.00 0.00 41.25 39.11 1kld s ASN 69 CO 0.58 -0.37 1.22 -2.16 -2.57 0.00 0.00 177.10 173.80 1kld s PRO 70 N 2.22 3.73 0.00 -0.60 0.04 -1.26 -3.14 135.00 135.99 1kld s PRO 70 Ca 0.16 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1kld s PRO 70 Cb -0.16 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1kld s PRO 70 CO 0.12 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1kld n GLY 71 N 4.77 1.00 3.65 0.56 0.00 -1.26 -5.10 105.19 108.81 1kld n GLY 71 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.94 3.58 -0.39 4.61 0.00 -1.19 -4.94 121.76 121.49 1kld s ALA 72 Ca 0.00 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.29 1kld s ALA 72 Cb 0.00 -2.52 0.66 0.00 0.00 0.00 0.00 23.12 21.26 1kld s ALA 72 CO 0.00 -0.35 1.53 -1.13 0.00 0.00 0.00 175.76 175.81 1kld n SER 73 N 4.62 4.75 -0.73 0.00 3.41 -1.26 -4.24 113.62 120.16 1kld n SER 73 Ca -0.11 -2.79 0.04 0.00 -0.26 0.00 0.00 58.87 55.74 1kld n SER 73 Cb 0.51 -0.66 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1kld n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kld n ALA 74 N 0.41 2.70 -0.58 7.33 0.00 -1.26 -4.91 120.51 124.19 1kld n ALA 74 Ca 0.24 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 1kld n ALA 74 Cb 1.05 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 19.63 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 0.28 -2.36 -1.00 0.00 0.00 -1.26 -4.88 120.51 111.29 1kld n ALA 75 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1kld n ALA 75 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.97 0.62 -3.42 0.00 -0.04 -1.26 -5.01 135.00 123.92 1kld n PRO 76 Ca 0.06 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 1kld n PRO 76 Cb 0.27 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.63 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 -0.36 0.00 -0.75 0.00 -7.23 -1.12 -4.65 120.40 106.29 1kld s VAL 79 Ca 0.64 -1.76 -0.27 0.00 -1.81 0.00 0.00 61.98 58.79 1kld s VAL 79 Cb -0.61 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 33.85 1kld s VAL 79 CO 0.53 0.00 1.36 -2.16 -0.31 0.00 0.00 175.10 174.53 1kld s PRO 80 N -3.59 3.16 0.00 4.82 0.04 -1.26 0.13 135.00 138.30 1kld s PRO 80 Ca 0.34 -0.23 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1kld s PRO 80 Cb 0.02 -4.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 1kld s PRO 80 CO 0.18 -2.23 0.68 0.37 0.04 0.00 0.00 177.00 176.04 1kld h GLN 81 N 10.54 -0.10 -6.56 4.56 5.75 -0.76 -3.44 115.11 125.10 1kld h GLN 81 Ca -0.23 0.01 -0.52 0.00 -0.15 0.00 0.00 58.65 57.75 1kld h GLN 81 Cb 1.06 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 1kld h GLN 81 CO 1.29 -0.07 -0.02 0.00 -2.65 0.00 0.00 178.83 177.38 1kld s ALA 82 N -3.21 3.46 0.00 3.38 0.00 -1.16 -4.99 121.76 119.24 1kld s ALA 82 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1kld s ALA 82 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1kld s ALA 82 CO 0.05 0.43 0.00 1.28 0.00 0.00 0.00 175.76 177.52 1kld n LEU 83 N -0.19 0.00 -3.74 0.00 4.77 -1.26 -1.72 117.00 114.85 1kld n LEU 83 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1kld n LEU 83 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1kld n LEU 83 CO 0.43 0.00 0.04 -1.61 -1.33 0.00 0.00 177.39 174.93 1kld s GLU 84 N -1.56 0.88 0.00 3.23 2.02 -0.63 -4.62 118.70 118.03 1kld s GLU 84 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1kld s GLU 84 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1kld s GLU 84 CO 0.00 -0.30 0.00 -0.35 0.02 0.00 0.00 175.26 174.63 1kld n PRO 85 N 0.27 0.56 -3.21 0.39 -0.04 -1.26 0.74 135.00 132.46 1kld n PRO 85 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1kld n PRO 85 Cb 0.61 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.99 -0.40 1.53 2.96 0.17 -4.34 118.68 117.61 1kld s LEU 86 Ca 0.00 0.73 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 1kld s LEU 86 Cb 0.00 1.87 0.01 0.00 0.50 0.00 0.00 46.19 48.58 1kld s LEU 86 CO 0.00 -0.19 1.34 -2.16 -1.32 0.00 0.00 176.35 174.03 1kld s PRO 87 N 2.86 3.67 0.00 0.98 0.04 -1.26 0.31 135.00 141.60 1kld s PRO 87 Ca 0.09 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1kld s PRO 87 Cb -0.12 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1kld s PRO 87 CO -0.17 -1.45 0.00 0.44 0.04 0.00 0.00 177.00 175.86 1kld n ILE 88 N 6.86 0.00 -3.15 0.56 -5.35 -0.72 -4.15 119.36 113.42 1kld n ILE 88 Ca 0.15 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.68 1kld n ILE 88 Cb 0.48 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.49 -0.80 0.00 7.28 1.01 0.37 -2.95 120.40 125.79 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 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1kld s VAL 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 1kld n TYR 90 N 5.43 -0.03 -3.81 5.22 4.11 -0.53 -1.17 117.16 126.39 1kld n TYR 90 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.74 1kld n TYR 90 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.71 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 -0.45 0.02 -0.83 -3.48 1.51 -1.26 -1.40 117.35 111.45 1kld s TYR 91 Ca 0.00 0.08 -0.14 0.00 -1.01 0.00 0.00 57.07 56.00 1kld s TYR 91 Cb 0.00 -0.15 0.22 0.00 -0.11 0.00 0.00 41.96 41.91 1kld s TYR 91 CO 0.00 -0.06 0.78 0.08 -1.11 0.00 0.00 175.55 175.24 1kld s VAL 92 N 0.70 5.59 0.00 0.71 1.01 -0.33 -4.75 120.40 123.33 1kld s VAL 92 Ca -0.06 -2.45 0.00 0.00 0.00 0.00 0.00 61.98 59.47 1kld s VAL 92 Cb -0.08 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.82 1kld s VAL 92 CO -0.02 -1.04 0.00 0.61 0.00 0.00 0.00 175.10 174.65 1kld n GLY 93 N 4.01 2.35 0.00 4.51 0.00 -1.26 -2.96 105.19 111.84 1kld n GLY 93 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.29 1.61 1.74 -1.26 -5.08 116.66 110.38 1kld n ARG 94 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1kld n ARG 94 Cb 0.00 -0.25 -0.06 0.00 -1.02 0.00 0.00 32.46 31.13 1kld n ARG 94 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1kld s LYS 95 N 0.00 4.25 0.17 5.56 -2.85 -1.15 -5.05 119.74 120.66 1kld s LYS 95 Ca 0.00 0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 55.30 1kld s LYS 95 Cb 0.00 -3.33 -0.08 0.00 -2.06 0.00 0.00 37.83 32.36 1kld s LYS 95 CO 0.00 0.40 0.91 -1.25 0.10 0.00 0.00 175.35 175.51 1kld s PRO 96 N -0.23 4.74 -0.14 1.78 0.04 -1.26 -1.18 135.00 138.75 1kld s PRO 96 Ca 0.28 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 1kld s PRO 96 Cb -0.17 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.12 1kld s PRO 96 CO 0.15 0.42 0.24 0.15 0.04 0.00 0.00 177.00 177.99 1kld s LYS 97 N -0.73 0.13 -0.18 4.56 -0.14 -0.50 -4.95 119.74 117.95 1kld s LYS 97 Ca 0.42 0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 55.50 1kld s LYS 97 Cb -0.24 -0.30 -0.05 0.00 -1.68 0.00 0.00 37.83 35.56 1kld s LYS 97 CO 0.30 -0.36 0.30 0.08 -0.76 0.00 0.00 175.35 174.91 1kld s VAL 98 N 2.38 5.29 0.00 3.17 1.01 -1.26 -1.45 120.40 129.53 1kld s VAL 98 Ca 0.03 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1kld s VAL 98 Cb -0.13 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1kld s VAL 98 CO -0.09 0.36 0.00 1.21 0.00 0.00 0.00 175.10 176.58 1kld n GLU 99 N 3.81 1.52 -3.30 2.72 2.13 -1.15 -4.95 120.64 121.42 1kld n GLU 99 Ca -0.11 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.48 1kld n GLU 99 Cb 0.52 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.14 1kld n GLU 99 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1kld s GLN 100 N 0.18 0.84 0.42 5.31 1.11 -1.25 -1.75 119.66 124.52 1kld s GLN 100 Ca 0.00 -1.68 -0.22 0.00 0.01 0.00 0.00 55.36 53.47 1kld s GLN 100 Cb 0.00 -1.10 -0.13 0.00 -1.01 0.00 0.00 33.01 30.76 1kld s GLN 100 CO 0.00 -1.33 0.39 1.28 0.01 0.00 0.00 175.29 175.64 1kld n LEU 101 N 3.21 -0.97 -4.85 2.90 4.77 0.15 -4.23 117.00 117.98 1kld n LEU 101 Ca 0.23 0.87 -0.35 0.00 -0.03 0.00 0.00 56.01 56.73 1kld n LEU 101 Cb 0.47 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 1kld n LEU 101 CO 0.07 -3.35 -0.20 -0.94 -1.33 0.00 0.00 177.39 171.65 1kld s SER 102 N -0.98 6.14 -1.35 -1.43 1.04 -1.26 0.43 113.70 116.29 1kld s SER 102 Ca 0.62 0.35 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 1kld s SER 102 Cb -0.61 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 63.60 1kld s SER 102 CO 0.59 0.35 0.10 0.59 0.98 0.00 0.00 173.24 175.85 1kld n ASN 103 N 1.61 -4.73 -1.51 7.02 3.02 -1.02 -4.80 115.26 114.86 1kld n ASN 103 Ca -0.16 0.03 0.03 0.00 -0.03 0.00 0.00 54.58 54.45 1kld n ASN 103 Cb 0.54 -3.95 0.27 0.00 -0.61 0.00 0.00 39.78 36.02 1kld n ASN 103 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1kld n MET 104 N -3.07 3.56 -3.81 3.52 1.56 0.23 -4.69 117.12 114.42 1kld n MET 104 Ca -0.16 -2.18 -0.10 0.00 -0.27 0.00 0.00 57.70 54.99 1kld n MET 104 Cb 0.63 -2.02 -0.05 0.00 2.15 0.00 0.00 33.22 33.93 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 -2.23 0.04 -0.05 1.12 1.01 -0.07 -4.80 121.20 116.21 1kld s ILE 105 Ca 0.38 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1kld s ILE 105 Cb 0.29 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1kld s ILE 105 CO 0.11 -0.17 -0.14 -0.69 0.00 0.00 0.00 174.94 174.04 1kld s VAL 106 N -3.91 3.05 -0.00 2.92 1.01 -0.92 -1.60 120.40 120.95 1kld s VAL 106 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1kld s VAL 106 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1kld s VAL 106 CO -0.02 0.59 0.04 -1.14 0.00 0.00 0.00 175.10 174.57 1kld n ARG 107 N 2.38 0.09 -3.64 2.72 0.63 -0.70 -4.83 116.66 113.31 1kld n ARG 107 Ca -0.17 -0.01 -0.07 0.00 -0.92 0.00 0.00 57.85 56.67 1kld n ARG 107 Cb 0.52 -1.04 -0.07 0.00 0.45 0.00 0.00 32.46 32.33 1kld n ARG 107 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1kld s SER 108 N -2.20 -0.32 0.25 6.15 0.01 -1.23 -4.25 113.70 112.11 1kld s SER 108 Ca -0.01 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1kld s SER 108 Cb 0.01 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1kld s SER 108 CO 0.07 -0.12 0.00 0.00 0.41 0.00 0.00 173.24 173.60 1kld n LYS 110 N -0.89 0.00 -3.13 0.00 4.81 0.36 -4.24 118.16 115.06 1kld n LYS 110 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1kld n LYS 110 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57