#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 5.73 0.00 0.00 4.77 -1.26 -4.72 117.00 121.52 1kld n LEU 2 Ca 0.00 -5.41 -0.19 0.00 -0.03 0.00 0.00 56.01 50.38 1kld n LEU 2 Cb 0.00 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1kld n LEU 2 CO 0.00 2.00 -0.09 -0.90 -1.33 0.00 0.00 177.39 177.07 1kld n ASP 3 N 0.52 2.65 0.00 -1.43 5.68 -1.26 -1.70 116.55 121.01 1kld n ASP 3 Ca 0.34 -2.34 0.04 0.00 -0.50 0.00 0.00 54.79 52.32 1kld n ASP 3 Cb 0.34 0.15 0.22 0.00 -1.14 0.00 0.00 41.12 40.68 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 -0.96 0.00 -0.12 2.12 -2.24 -1.26 -2.46 114.28 109.36 1kld n THR 4 Ca -0.10 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1kld n THR 4 Cb 0.40 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.62 1.97 0.14 3.42 2.85 -1.26 -3.38 115.26 118.37 1kld n ASN 5 Ca 0.05 0.21 0.12 0.00 -0.11 0.00 0.00 54.58 54.85 1kld n ASN 5 Cb 0.02 -0.73 0.15 0.00 1.24 0.00 0.00 39.78 40.46 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 -0.63 0.00 0.00 1.20 3.20 -1.84 -3.29 116.97 115.61 1kld h TYR 6 Ca -0.60 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.23 1kld h TYR 6 Cb 1.69 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.95 1kld h TYR 6 CO -0.02 0.00 -1.31 0.00 -1.64 0.00 0.00 178.16 175.19 1kld n PHE 8 N -2.64 0.00 0.00 0.00 3.01 -1.22 -4.74 117.46 111.88 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 0.63 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.08 4.37 7.64 -1.25 -4.98 113.62 117.95 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 -0.19 2.31 0.00 2.46 -1.32 -1.26 -5.12 115.64 112.52 1kld s THR 11 Ca 0.02 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 1kld s THR 11 Cb 0.02 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 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 0.00 7.08 0.00 -1.26 -4.79 120.64 120.11 1kld n GLU 12 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 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 -1.08 0.00 0.00 5.31 4.81 -1.26 -5.12 118.16 120.82 1kld n LYS 13 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1kld n LYS 13 Cb 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 34.64 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1kld n ASN 14 N -2.94 0.00 -4.60 3.14 4.13 -1.26 -5.03 115.26 108.70 1kld n ASN 14 Ca 0.00 0.00 -0.60 0.00 1.68 0.00 0.00 54.58 55.66 1kld n ASN 14 Cb 0.38 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.54 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 1.99 3.73 0.11 0.00 0.11 -1.26 -3.32 120.40 121.78 1kld s VAL 17 Ca -0.07 1.04 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 31.05 1kld s VAL 17 CO -0.15 -0.04 0.07 -0.13 -3.33 0.00 0.00 175.10 171.52 1kld s ARG 18 N 2.96 2.76 0.64 1.54 0.52 -0.53 -4.30 118.95 122.54 1kld s ARG 18 Ca 0.65 -0.81 -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 0.53 0.70 0.00 0.02 0.00 0.00 175.30 176.81 1kld n GLN 19 N 0.20 0.56 -2.69 3.54 10.64 -1.26 -2.81 117.38 125.57 1kld n GLN 19 Ca -0.09 0.23 -0.04 0.00 -1.83 0.00 0.00 57.00 55.27 1kld n GLN 19 Cb 0.53 -1.93 0.12 0.00 -0.86 0.00 0.00 30.24 28.10 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 -0.33 -1.44 -4.55 2.61 7.94 -1.26 -4.73 117.00 115.23 1kld n LEU 20 Ca 0.12 -3.31 -0.51 0.00 -1.11 0.00 0.00 56.01 51.20 1kld n LEU 20 Cb 0.48 0.09 -0.05 0.00 0.53 0.00 0.00 43.42 44.47 1kld n LEU 20 CO 0.50 1.75 0.64 0.00 -1.11 0.00 0.00 177.39 179.17 1kld n TYR 21 N -1.16 1.02 -4.05 1.96 4.19 -1.26 -3.43 117.16 114.43 1kld n TYR 21 Ca -0.11 0.77 -0.32 0.00 3.31 0.00 0.00 57.90 61.55 1kld n TYR 21 Cb 0.87 -2.22 -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 -4.87 121.20 120.45 1kld s ILE 22 Ca 0.77 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 1kld s ILE 22 Cb -0.95 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 39.77 1kld s ILE 22 CO 0.53 0.30 1.24 -0.62 0.00 0.00 0.00 174.94 176.39 1kld s ASP 23 N 1.32 6.41 0.00 3.58 2.15 -1.26 -2.49 116.67 126.38 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 -0.10 -1.44 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 -0.42 0.19 117.46 123.82 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 38.59 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 -0.04 -1.08 3.08 -1.79 0.86 114.38 115.74 1kld h ARG 25 Ca 0.00 -0.57 -0.00 0.00 0.07 0.00 0.00 59.98 59.48 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 1.24 0.02 -0.22 -1.07 0.00 0.00 179.97 179.94 1kld h LYS 26 N 0.09 0.07 0.00 0.04 3.64 0.17 -0.78 116.57 119.79 1kld h LYS 26 Ca -0.35 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1kld h LYS 26 Cb 2.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.88 1kld h LYS 26 CO 0.15 0.22 -0.56 -0.44 -2.27 0.00 0.00 179.45 176.56 1kld h ASP 27 N -0.10 0.00 0.95 4.20 3.32 -1.38 -3.40 116.42 120.00 1kld h ASP 27 Ca 0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.99 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 0.83 -0.68 -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 -0.04 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1kld h LEU 28 Cb 0.57 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1kld h LEU 28 CO -0.03 0.08 -0.17 0.61 0.09 0.00 0.00 178.44 179.02 1kld n GLY 29 N 1.29 0.92 3.55 0.83 0.00 0.28 -4.84 105.19 107.21 1kld n GLY 29 Ca 0.03 -0.02 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.22 1.11 0.48 1.61 7.02 -0.02 -4.79 117.44 120.64 1kld n TRP 30 Ca -0.09 0.81 0.05 0.00 -1.02 0.00 0.00 57.50 57.25 1kld n TRP 30 Cb 0.56 -2.23 -0.06 0.00 -2.42 0.00 0.00 31.31 27.16 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 2.03 3.12 0.00 -0.99 5.02 -1.26 -4.40 118.16 121.68 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 -1.04 0.54 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 -1.31 0.00 -4.92 2.13 4.27 -1.26 -4.79 117.44 111.56 1kld n TRP 32 Ca 0.02 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.34 1kld n TRP 32 Cb 0.18 -0.08 -0.17 0.00 -1.36 0.00 0.00 31.31 29.88 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 -2.27 1.61 -0.22 -1.67 1.01 -1.26 -4.22 121.20 114.18 1kld s ILE 33 Ca 0.32 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1kld s ILE 33 Cb 0.20 -1.41 -0.18 0.00 0.01 0.00 0.00 42.46 41.08 1kld s ILE 33 CO 0.43 0.46 -0.01 1.57 0.00 0.00 0.00 174.94 177.39 1kld n HIS 34 N 3.58 0.58 -4.16 3.97 -0.00 -0.33 -4.96 115.22 113.90 1kld n HIS 34 Ca -0.20 0.20 -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 1.02 1.57 2.02 -0.98 -4.44 118.70 116.23 1kld s GLU 35 Ca -0.32 -1.26 -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 34.28 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 -3.48 0.18 0.36 0.39 0.04 -1.26 -0.52 135.00 130.72 1kld s PRO 36 Ca 0.09 -0.30 0.05 0.00 0.04 0.00 0.00 61.00 60.88 1kld s PRO 36 Cb 0.03 -1.78 0.73 0.00 0.04 0.00 0.00 34.50 33.51 1kld s PRO 36 CO -0.04 -2.74 1.97 0.87 0.04 0.00 0.00 177.00 177.10 1kld h LYS 37 N -1.88 0.75 0.00 4.56 1.57 -1.98 -3.44 116.57 116.15 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 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1kld h LYS 37 CO 0.38 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 1kld n GLY 38 N -1.45 2.40 0.00 3.86 0.00 -1.26 -1.30 105.19 107.45 1kld n GLY 38 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.76 1.61 4.11 -1.04 -4.86 117.16 114.22 1kld n TYR 39 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 1kld n TYR 39 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 1kld n TYR 39 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 1kld s HIS 40 N -2.00 2.96 0.11 -3.48 3.76 -1.26 -1.71 115.29 113.67 1kld s HIS 40 Ca 0.00 -1.42 -0.13 0.00 -0.15 0.00 0.00 55.06 53.36 1kld s HIS 40 Cb 0.00 -4.50 -0.13 0.00 1.11 0.00 0.00 32.58 29.06 1kld s HIS 40 CO 0.00 -1.66 1.34 0.00 -0.85 0.00 0.00 174.74 173.57 1kld h ALA 41 N 8.55 0.36 -2.88 -1.40 0.00 -1.87 -3.39 119.26 118.63 1kld h ALA 41 Ca 0.25 -0.56 0.34 0.00 0.00 0.00 0.00 54.91 54.94 1kld h ALA 41 Cb 0.96 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1kld h ALA 41 CO 1.29 0.66 -0.55 0.09 0.00 0.00 0.00 179.25 180.74 1kld n ASN 42 N -3.98 -7.60 0.00 0.00 3.02 -1.22 -2.16 115.26 103.31 1kld n ASN 42 Ca -0.06 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1kld n ASN 42 Cb 0.70 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 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 -3.93 0.00 -4.21 3.10 -1.74 -1.12 -4.69 117.46 104.87 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 0.59 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.48 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 -2.67 1.06 0.12 0.00 1.43 -1.21 -4.90 118.68 112.51 1kld s LEU 45 Ca 0.09 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1kld s LEU 45 Cb -0.01 1.15 0.00 0.00 0.03 0.00 0.00 46.19 47.36 1kld s LEU 45 CO 0.00 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.68 1kld n GLY 46 N 0.95 -3.07 0.00 -3.19 0.00 -1.26 -3.67 105.19 94.95 1kld n GLY 46 Ca -0.20 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.67 0.90 -3.94 1.61 -0.04 -1.26 -3.80 135.00 126.79 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 0.09 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 2.30 0.00 0.00 -0.04 -1.26 -4.81 135.00 131.13 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 -0.06 0.00 0.32 0.54 4.01 -1.26 -4.34 117.16 116.37 1kld n TYR 50 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 1kld n TYR 50 Cb 0.00 -0.17 0.82 0.00 -0.31 0.00 0.00 39.34 39.68 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 -2.41 -0.72 3.07 -1.96 -3.42 117.51 112.07 1kld h ILE 51 Ca 0.00 0.00 -0.60 0.00 1.55 0.00 0.00 64.86 65.81 1kld h ILE 51 Cb 0.00 0.67 0.17 0.00 -0.27 0.00 0.00 36.82 37.39 1kld h ILE 51 CO 0.00 0.00 -0.70 1.87 -1.05 0.00 0.00 178.15 178.27 1kld n TRP 52 N -2.84 -1.52 -1.37 0.16 -0.00 -1.26 -4.32 117.44 106.29 1kld n TRP 52 Ca -0.02 0.49 -0.27 0.00 -0.00 0.00 0.00 57.50 57.71 1kld n TRP 52 Cb 0.34 -1.85 -0.18 0.00 -0.00 0.00 0.00 31.31 29.61 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 1.48 -0.75 -4.72 5.87 2.88 -1.26 -4.83 113.62 112.29 1kld n SER 53 Ca 0.10 -0.26 -0.38 0.00 -1.33 0.00 0.00 58.87 57.00 1kld n SER 53 Cb 0.45 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.24 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 3.05 4.29 -0.18 2.46 1.43 -1.26 -4.04 118.68 124.43 1kld s LEU 54 Ca 1.22 0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 55.20 1kld s LEU 54 Cb -0.92 -2.82 -0.22 0.00 0.03 0.00 0.00 46.19 42.26 1kld s LEU 54 CO 0.49 -0.04 0.13 -0.67 0.23 0.00 0.00 176.35 176.50 1kld n ASP 55 N 3.72 2.05 -4.54 2.29 2.03 -1.25 -4.94 116.55 115.91 1kld n ASP 55 Ca -0.05 0.14 -0.29 0.00 0.52 0.00 0.00 54.79 55.10 1kld n ASP 55 Cb 0.51 -0.74 -0.10 0.00 -0.72 0.00 0.00 41.12 40.07 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 -2.53 3.10 0.44 5.18 -4.23 -1.26 -5.01 115.64 111.34 1kld s THR 56 Ca -0.28 -1.44 0.10 0.00 -1.18 0.00 0.00 61.69 58.89 1kld s THR 56 Cb 0.08 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.74 1kld s THR 56 CO 0.69 0.07 2.08 -0.61 -0.54 0.00 0.00 174.62 176.31 1kld h GLN 57 N 3.54 0.39 -0.16 3.99 5.75 -1.97 -0.85 115.11 125.80 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 1.17 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1kld h GLN 57 CO 0.50 0.26 -0.15 -0.92 -2.65 0.00 0.00 178.83 175.86 1kld h TYR 58 N 0.40 0.28 0.00 3.99 3.20 -1.94 -1.56 116.97 121.34 1kld h TYR 58 Ca 0.11 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1kld h TYR 58 Cb -0.02 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1kld h TYR 58 CO -0.00 0.41 0.03 0.66 -1.64 0.00 0.00 178.16 177.62 1kld h SER 59 N 0.25 0.00 0.02 -2.11 4.64 -1.42 -1.47 113.55 113.46 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 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 1kld h SER 59 CO 0.03 0.00 -1.72 1.17 -0.87 0.00 0.00 176.83 175.44 1kld n LYS 60 N -2.49 0.60 0.21 4.77 4.81 -0.60 -2.84 118.16 122.62 1kld n LYS 60 Ca -0.02 0.44 -0.15 0.00 -0.87 0.00 0.00 58.31 57.72 1kld n LYS 60 Cb 0.07 -1.67 -0.07 0.00 0.02 0.00 0.00 35.03 33.37 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 0.50 -0.02 3.15 2.07 -1.33 -2.08 116.25 117.73 1kld h VAL 61 Ca -0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1kld h VAL 61 Cb 1.50 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1kld h VAL 61 CO -0.22 0.00 -0.30 0.25 0.02 0.00 0.00 177.57 177.33 1kld h LEU 62 N -0.56 0.03 -1.55 2.57 5.85 -1.50 -1.15 115.31 119.00 1kld h LEU 62 Ca -0.03 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.85 1kld h LEU 62 Cb 0.48 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1kld h LEU 62 CO 0.01 0.33 0.54 0.00 -0.34 0.00 0.00 178.44 178.98 1kld h ALA 63 N 1.67 2.15 0.06 1.25 0.00 -1.22 -0.68 119.26 122.49 1kld h ALA 63 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 1kld h ALA 63 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1kld h ALA 63 CO 0.04 -0.38 -1.88 1.28 0.00 0.00 0.00 179.25 178.30 1kld n LEU 64 N -4.49 1.78 -0.27 0.00 4.77 -0.86 -2.58 117.00 115.35 1kld n LEU 64 Ca 0.16 0.29 0.32 0.00 -0.03 0.00 0.00 56.01 56.75 1kld n LEU 64 Cb 0.59 -0.49 0.72 0.00 -2.33 0.00 0.00 43.42 41.91 1kld n LEU 64 CO 0.32 0.64 1.29 0.22 -1.33 0.00 0.00 177.39 178.53 1kld h TYR 65 N 0.04 0.07 0.01 -1.77 3.20 0.08 0.23 116.97 118.82 1kld h TYR 65 Ca -0.37 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.14 1kld h TYR 65 Cb 2.03 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 40.23 1kld h TYR 65 CO 0.04 0.01 -2.00 -1.71 -1.64 0.00 0.00 178.16 172.86 1kld n ASN 66 N -4.25 1.93 0.11 -2.11 5.15 -0.76 -3.62 115.26 111.71 1kld n ASN 66 Ca 0.23 0.35 0.06 0.00 -0.60 0.00 0.00 54.58 54.62 1kld n ASN 66 Cb 1.11 -0.86 0.32 0.00 -0.53 0.00 0.00 39.78 39.82 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 -4.25 0.08 -0.10 1.20 1.13 -0.73 -1.70 117.38 113.01 1kld n GLN 67 Ca -0.44 0.54 -0.24 0.00 -1.94 0.00 0.00 57.00 54.91 1kld n GLN 67 Cb 0.82 -1.91 -0.11 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 -1.92 0.62 -3.32 1.08 8.25 0.73 -4.83 115.22 115.83 1kld n HIS 68 Ca -0.01 0.23 -0.40 0.00 -0.26 0.00 0.00 57.72 57.28 1kld n HIS 68 Cb 0.17 -1.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.12 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 6.28 -0.44 0.41 -0.87 -0.69 -5.02 114.94 107.54 1kld s ASN 69 Ca -0.32 0.05 -0.29 0.00 -1.57 0.00 0.00 52.86 50.73 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 -0.35 1.22 -2.16 -2.57 0.00 0.00 177.10 173.82 1kld s PRO 70 N 2.21 3.72 0.00 -0.60 0.04 -1.26 -3.16 135.00 135.95 1kld s PRO 70 Ca 0.16 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1kld s PRO 70 Cb -0.16 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1kld s PRO 70 CO 0.12 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1kld n GLY 71 N 4.82 1.00 3.65 0.56 0.00 -1.26 -5.10 105.19 108.85 1kld n GLY 71 Ca 0.13 0.00 -0.37 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 -1.92 3.58 -0.39 4.61 0.00 -1.19 -4.94 121.76 121.50 1kld s ALA 72 Ca 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.28 1kld s ALA 72 Cb 0.00 -2.49 0.66 0.00 0.00 0.00 0.00 23.12 21.30 1kld s ALA 72 CO 0.00 -0.33 1.51 -1.13 0.00 0.00 0.00 175.76 175.81 1kld n SER 73 N 4.57 4.82 -0.70 0.00 3.41 -1.26 -4.24 113.62 120.22 1kld n SER 73 Ca -0.12 -2.76 0.03 0.00 -0.26 0.00 0.00 58.87 55.77 1kld n SER 73 Cb 0.52 -0.65 0.13 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 0.49 2.69 -0.57 7.33 0.00 -1.26 -4.91 120.51 124.28 1kld n ALA 74 Ca 0.23 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1kld n ALA 74 Cb 1.02 -1.01 0.14 0.00 0.00 0.00 0.00 19.45 19.60 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 0.24 -2.42 -1.00 0.00 0.00 -1.26 -4.88 120.51 111.18 1kld n ALA 75 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1kld n ALA 75 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.02 0.62 -3.42 0.00 -0.04 -1.26 -5.01 135.00 123.86 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 0.28 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 -0.42 0.00 -0.75 0.00 -7.23 -1.11 -4.65 120.40 106.24 1kld s VAL 79 Ca 0.63 -1.75 -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 0.54 0.00 1.36 -2.16 -0.31 0.00 0.00 175.10 174.53 1kld s PRO 80 N -3.57 3.16 0.00 4.82 0.04 -1.26 0.13 135.00 138.33 1kld s PRO 80 Ca 0.33 -0.24 -0.04 0.00 0.04 0.00 0.00 61.00 61.10 1kld s PRO 80 Cb 0.02 -4.32 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 1kld s PRO 80 CO 0.18 -2.23 0.69 0.37 0.04 0.00 0.00 177.00 176.05 1kld h GLN 81 N 10.52 -0.13 -6.54 4.56 5.75 -0.76 -3.44 115.11 125.07 1kld h GLN 81 Ca -0.23 0.01 -0.52 0.00 -0.15 0.00 0.00 58.65 57.76 1kld h GLN 81 Cb 1.06 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 1kld h GLN 81 CO 1.29 -0.09 -0.04 0.00 -2.65 0.00 0.00 178.83 177.34 1kld s ALA 82 N -3.27 3.48 0.00 3.38 0.00 -1.16 -4.99 121.76 119.20 1kld s ALA 82 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1kld s ALA 82 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1kld s ALA 82 CO 0.06 0.44 0.00 1.28 0.00 0.00 0.00 175.76 177.55 1kld n LEU 83 N -0.18 0.00 -3.75 0.00 4.77 -1.26 -1.74 117.00 114.84 1kld n LEU 83 Ca 0.01 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 0.44 0.00 0.03 -1.61 -1.33 0.00 0.00 177.39 174.92 1kld s GLU 84 N -1.63 0.88 0.00 3.23 2.02 -0.63 -4.62 118.70 117.94 1kld s GLU 84 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.34 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 0.25 0.57 -3.22 0.39 -0.04 -1.26 0.76 135.00 132.46 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 -0.41 1.53 2.96 0.16 -4.33 118.68 117.60 1kld s LEU 86 Ca 0.00 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.36 1kld s LEU 86 Cb 0.00 1.88 0.01 0.00 0.50 0.00 0.00 46.19 48.58 1kld s LEU 86 CO 0.00 -0.19 1.35 -2.16 -1.32 0.00 0.00 176.35 174.03 1kld s PRO 87 N 2.85 3.64 0.00 0.98 0.04 -1.26 0.27 135.00 141.53 1kld s PRO 87 Ca 0.09 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1kld s PRO 87 Cb -0.12 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1kld s PRO 87 CO -0.17 -1.48 0.00 0.44 0.04 0.00 0.00 177.00 175.83 1kld n ILE 88 N 6.92 0.00 -3.15 0.56 -5.35 -0.71 -4.14 119.36 113.49 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 0.54 -0.80 0.00 7.28 1.01 0.32 -2.94 120.40 125.82 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 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.41 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 -0.05 -3.80 5.22 4.11 -0.52 -1.18 117.16 126.36 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 -0.46 0.02 -0.82 -3.48 1.51 -1.26 -1.39 117.35 111.47 1kld s TYR 91 Ca 0.00 0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 56.00 1kld s TYR 91 Cb 0.00 -0.16 0.21 0.00 -0.11 0.00 0.00 41.96 41.91 1kld s TYR 91 CO 0.00 -0.06 0.77 0.08 -1.11 0.00 0.00 175.55 175.23 1kld s VAL 92 N 0.71 5.58 0.00 0.71 1.01 -0.33 -4.75 120.40 123.33 1kld s VAL 92 Ca -0.06 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 59.50 1kld s VAL 92 Cb -0.09 -4.47 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 4.05 2.36 0.00 4.51 0.00 -1.26 -2.95 105.19 111.90 1kld n GLY 93 Ca 0.13 -0.00 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 -3.28 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 -0.26 -0.06 0.00 -1.02 0.00 0.00 32.46 31.12 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 0.18 5.56 -2.85 -1.15 -5.05 119.74 120.68 1kld s LYS 95 Ca 0.00 0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 55.29 1kld s LYS 95 Cb 0.00 -3.34 -0.08 0.00 -2.06 0.00 0.00 37.83 32.35 1kld s LYS 95 CO 0.00 0.38 0.92 -1.25 0.10 0.00 0.00 175.35 175.50 1kld s PRO 96 N -0.17 4.76 -0.14 1.78 0.04 -1.26 -1.18 135.00 138.82 1kld s PRO 96 Ca 0.28 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 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 -0.74 0.14 -0.17 4.56 -0.14 -0.48 -4.95 119.74 117.96 1kld s LYS 97 Ca 0.42 0.58 -0.14 0.00 -1.36 0.00 0.00 55.97 55.47 1kld s LYS 97 Cb -0.25 -0.35 -0.04 0.00 -1.68 0.00 0.00 37.83 35.50 1kld s LYS 97 CO 0.30 -0.38 0.31 0.08 -0.76 0.00 0.00 175.35 174.90 1kld s VAL 98 N 2.38 5.28 0.00 3.17 1.01 -1.26 -1.44 120.40 129.54 1kld s VAL 98 Ca 0.03 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1kld s VAL 98 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.60 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 3.78 1.49 -3.31 2.72 2.13 -1.15 -4.95 120.64 121.35 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 0.16 0.84 0.42 5.31 1.11 -1.25 -1.73 119.66 124.51 1kld s GLN 100 Ca 0.00 -1.67 -0.22 0.00 0.01 0.00 0.00 55.36 53.48 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 3.23 -0.94 -4.85 2.90 4.77 0.14 -4.24 117.00 118.02 1kld n LEU 101 Ca 0.23 0.87 -0.35 0.00 -0.03 0.00 0.00 56.01 56.72 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 0.08 -3.34 -0.19 -0.94 -1.33 0.00 0.00 177.39 171.67 1kld s SER 102 N -0.98 6.15 -1.37 -1.43 1.04 -1.26 0.38 113.70 116.23 1kld s SER 102 Ca 0.62 0.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.40 1kld s SER 102 Cb -0.61 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1kld s SER 102 CO 0.59 0.35 0.07 0.59 0.98 0.00 0.00 173.24 175.82 1kld n ASN 103 N 1.64 -4.78 -1.51 7.02 3.02 -1.02 -4.80 115.26 114.82 1kld n ASN 103 Ca -0.17 0.06 0.02 0.00 -0.03 0.00 0.00 54.58 54.46 1kld n ASN 103 Cb 0.54 -4.01 0.26 0.00 -0.61 0.00 0.00 39.78 35.96 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 -3.01 3.47 -3.80 3.52 1.56 0.23 -4.69 117.12 114.40 1kld n MET 104 Ca -0.17 -2.16 -0.10 0.00 -0.27 0.00 0.00 57.70 55.00 1kld n MET 104 Cb 0.64 -2.01 -0.05 0.00 2.15 0.00 0.00 33.22 33.95 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 -2.22 0.04 -0.05 1.12 1.01 -0.06 -4.80 121.20 116.23 1kld s ILE 105 Ca 0.38 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1kld s ILE 105 Cb 0.29 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 1kld s ILE 105 CO 0.11 -0.17 -0.15 -0.69 0.00 0.00 0.00 174.94 174.04 1kld s VAL 106 N -3.90 3.03 -0.00 2.92 1.01 -0.92 -1.61 120.40 120.93 1kld s VAL 106 Ca 0.11 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1kld s VAL 106 Cb 0.00 -2.19 -0.03 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 2.40 0.18 -3.64 2.72 0.63 -0.71 -4.83 116.66 113.42 1kld n ARG 107 Ca -0.17 -0.02 -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 32.32 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 -2.25 -0.33 0.26 6.15 0.01 -1.23 -4.25 113.70 112.07 1kld s SER 108 Ca -0.01 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1kld s SER 108 Cb 0.01 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1kld s SER 108 CO 0.08 -0.12 0.00 0.00 0.41 0.00 0.00 173.24 173.61 1kld n LYS 110 N -0.91 0.00 -3.15 0.00 4.81 0.35 -4.25 118.16 115.01 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