#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 7.01 -5.03 0.00 4.77 -1.26 -4.67 117.00 117.83 1kld n LEU 2 Ca 0.00 -4.83 -0.20 0.00 -0.03 0.00 0.00 56.01 50.96 1kld n LEU 2 Cb 0.00 -0.93 0.05 0.00 -2.33 0.00 0.00 43.42 40.21 1kld n LEU 2 CO 0.00 1.81 0.31 1.51 -1.33 0.00 0.00 177.39 179.70 1kld s ASP 3 N -1.67 5.11 0.00 -1.43 1.47 -1.26 -2.00 116.67 116.90 1kld s ASP 3 Ca 0.53 -0.84 0.17 0.00 1.18 0.00 0.00 52.55 53.59 1kld s ASP 3 Cb 0.44 0.24 1.03 0.00 -0.34 0.00 0.00 42.92 44.29 1kld s ASP 3 CO -0.31 -1.29 1.55 0.35 0.68 0.00 0.00 175.17 176.15 1kld n THR 4 N -2.19 0.00 -0.12 2.11 -2.24 -1.23 -2.90 114.28 107.70 1kld n THR 4 Ca 0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.75 1kld n THR 4 Cb 0.62 -0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.82 1.68 0.09 3.42 5.15 -1.26 -4.03 115.26 119.50 1kld n ASN 5 Ca 0.13 -0.12 -0.04 0.00 -0.60 0.00 0.00 54.58 53.95 1kld n ASN 5 Cb 0.06 -0.19 -0.00 0.00 -0.53 0.00 0.00 39.78 39.12 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 0.00 0.00 0.00 1.20 3.20 -1.82 -3.09 116.97 116.46 1kld h TYR 6 Ca -0.57 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.30 1kld h TYR 6 Cb 1.95 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1kld h TYR 6 CO 0.03 0.84 0.00 0.00 -1.64 0.00 0.00 178.16 177.38 1kld n PHE 8 N -2.76 0.00 -0.05 0.00 3.01 -1.17 -4.72 117.46 111.76 1kld n PHE 8 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1kld n PHE 8 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.91 0.00 0.00 4.37 7.64 -1.01 -5.03 113.62 118.69 1kld n SER 9 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1kld n SER 9 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.44 -4.89 6.43 2.88 -1.26 -5.07 113.62 112.14 1kld n SER 10 Ca 0.00 -0.92 -0.20 0.00 -1.33 0.00 0.00 58.87 56.42 1kld n SER 10 Cb 0.00 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.06 2.90 0.00 2.46 -1.32 -1.26 -5.12 115.64 113.24 1kld s THR 11 Ca 0.00 -1.30 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1kld s THR 11 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1kld s THR 11 CO 0.00 -0.04 0.00 1.21 -2.21 0.00 0.00 174.62 173.58 1kld n GLU 12 N -1.55 0.00 0.00 7.08 2.13 -1.26 -4.94 120.64 122.10 1kld n GLU 12 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1kld n GLU 12 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 1kld n GLU 12 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1kld n LYS 13 N -0.28 0.55 0.00 5.31 4.01 -1.26 -5.12 118.16 121.37 1kld n LYS 13 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1kld n LYS 13 Cb 0.00 -0.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.91 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1kld n ASN 14 N -1.20 0.00 -4.20 4.39 3.02 -1.26 -5.07 115.26 110.94 1kld n ASN 14 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1kld n ASN 14 Cb 0.11 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.35 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 2.71 3.11 0.26 0.00 0.11 -1.26 -3.31 120.40 122.03 1kld s VAL 17 Ca 0.01 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.08 1kld s VAL 17 Cb -0.09 -3.19 -0.06 0.00 -1.53 0.00 0.00 36.38 31.50 1kld s VAL 17 CO -0.15 -0.15 0.57 -0.13 -3.33 0.00 0.00 175.10 171.91 1kld s ARG 18 N 6.95 3.75 0.37 1.54 0.52 -0.31 -4.66 118.95 127.11 1kld s ARG 18 Ca 0.93 0.21 -0.27 0.00 -0.52 0.00 0.00 55.73 56.08 1kld s ARG 18 Cb -0.24 -2.62 -0.11 0.00 0.52 0.00 0.00 34.95 32.49 1kld s ARG 18 CO 0.30 0.25 1.31 0.00 0.02 0.00 0.00 175.30 177.18 1kld n GLN 19 N -0.50 2.13 -2.71 3.54 10.64 -1.26 -2.78 117.38 126.44 1kld n GLN 19 Ca -0.00 0.75 -0.06 0.00 -1.83 0.00 0.00 57.00 55.86 1kld n GLN 19 Cb 0.53 -2.39 0.04 0.00 -0.86 0.00 0.00 30.24 27.56 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 0.55 1.67 -4.57 2.61 7.94 -1.26 -4.80 117.00 119.14 1kld n LEU 20 Ca 0.05 -3.49 -0.51 0.00 -1.11 0.00 0.00 56.01 50.95 1kld n LEU 20 Cb 0.37 0.41 -0.05 0.00 0.53 0.00 0.00 43.42 44.68 1kld n LEU 20 CO 0.61 1.37 0.76 0.00 -1.11 0.00 0.00 177.39 179.03 1kld n TYR 21 N -0.31 1.29 -4.05 1.96 4.19 -1.26 -3.35 117.16 115.63 1kld n TYR 21 Ca 0.10 0.70 -0.31 0.00 3.31 0.00 0.00 57.90 61.69 1kld n TYR 21 Cb 0.81 -2.28 -0.16 0.00 0.49 0.00 0.00 39.34 38.20 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 0.08 1.81 -0.99 2.97 1.01 -0.47 -4.84 121.20 120.77 1kld s ILE 22 Ca 0.79 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 60.26 1kld s ILE 22 Cb -0.93 -1.76 0.08 0.00 0.01 0.00 0.00 42.46 39.86 1kld s ILE 22 CO 0.50 0.33 1.33 -0.62 0.00 0.00 0.00 174.94 176.49 1kld s ASP 23 N 1.35 6.55 0.00 3.58 2.15 -1.26 -2.37 116.67 126.67 1kld s ASP 23 Ca 0.01 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.32 1kld s ASP 23 Cb -0.15 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1kld s ASP 23 CO -0.10 -1.34 0.00 0.49 -0.17 0.00 0.00 175.17 174.05 1kld n PHE 24 N 8.01 0.00 0.07 -5.34 3.72 0.11 0.22 117.46 124.25 1kld n PHE 24 Ca 0.30 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.48 1kld n PHE 24 Cb 0.50 -0.26 -0.15 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.35 -0.19 -1.08 9.65 -1.76 1.59 114.38 122.93 1kld h ARG 25 Ca 0.00 -0.60 -0.01 0.00 -1.10 0.00 0.00 59.98 58.27 1kld h ARG 25 Cb 0.00 0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1kld h ARG 25 CO 0.00 1.29 0.08 -0.22 2.80 0.00 0.00 179.97 183.91 1kld h LYS 26 N -0.23 0.29 0.00 0.20 3.11 0.24 -1.61 116.57 118.57 1kld h LYS 26 Ca -0.20 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1kld h LYS 26 Cb 1.79 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.98 1kld h LYS 26 CO 0.17 0.36 -0.24 -0.44 -2.81 0.00 0.00 179.45 176.49 1kld h ASP 27 N 0.15 0.00 0.64 4.20 3.32 -1.33 -3.41 116.42 120.00 1kld h ASP 27 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 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 -0.01 0.39 -0.47 0.18 -1.72 0.00 0.00 179.24 177.62 1kld n LEU 28 N -3.54 0.48 -0.49 1.55 4.77 -0.99 -4.90 117.00 113.88 1kld n LEU 28 Ca -0.03 0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1kld n LEU 28 Cb 0.12 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1kld n LEU 28 CO 0.05 0.07 -0.06 0.61 -1.33 0.00 0.00 177.39 176.73 1kld n GLY 29 N 1.47 0.65 3.58 -0.72 0.00 0.51 -4.85 105.19 105.83 1kld n GLY 29 Ca 0.05 -0.03 -0.56 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 -2.20 1.27 0.47 1.61 7.02 0.40 -4.75 117.44 121.26 1kld n TRP 30 Ca -0.06 0.80 0.05 0.00 -1.02 0.00 0.00 57.50 57.27 1kld n TRP 30 Cb 0.52 -2.25 -0.07 0.00 -2.42 0.00 0.00 31.31 27.09 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 2.48 2.92 0.00 -0.99 5.02 -1.26 -4.37 118.16 121.95 1kld n LYS 31 Ca 0.20 -0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1kld n LYS 31 Cb 0.13 -1.06 0.62 0.00 -0.02 0.00 0.00 35.03 34.70 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 -1.34 0.00 -5.04 2.13 4.27 -1.26 -4.76 117.44 111.44 1kld n TRP 32 Ca 0.02 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.33 1kld n TRP 32 Cb 0.19 -0.13 -0.17 0.00 -1.36 0.00 0.00 31.31 29.84 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 -2.36 1.79 -0.22 -1.67 1.01 -1.26 -4.18 121.20 114.31 1kld s ILE 33 Ca 0.32 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 1kld s ILE 33 Cb 0.20 -1.56 -0.12 0.00 0.01 0.00 0.00 42.46 40.99 1kld s ILE 33 CO 0.45 0.50 -0.13 1.57 0.00 0.00 0.00 174.94 177.33 1kld n HIS 34 N 3.56 0.50 -4.19 3.97 -0.00 -0.39 -4.94 115.22 113.74 1kld n HIS 34 Ca -0.20 0.22 -0.16 0.00 -0.00 0.00 0.00 57.72 57.58 1kld n HIS 34 Cb 0.53 -0.93 -0.11 0.00 -0.00 0.00 0.00 29.99 29.47 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 0.88 0.83 1.57 2.02 -0.93 -4.20 118.70 116.40 1kld s GLU 35 Ca -0.30 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 53.44 1kld s GLU 35 Cb 0.08 -0.68 0.09 0.00 0.10 0.00 0.00 34.13 33.73 1kld s GLU 35 CO 0.48 0.12 1.14 -1.25 0.02 0.00 0.00 175.26 175.77 1kld s PRO 36 N -2.53 1.77 0.33 0.39 0.04 -1.26 0.18 135.00 133.92 1kld s PRO 36 Ca 0.04 0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.45 1kld s PRO 36 Cb -0.05 -1.91 0.65 0.00 0.04 0.00 0.00 34.50 33.24 1kld s PRO 36 CO 0.01 -1.77 1.91 0.87 0.04 0.00 0.00 177.00 178.07 1kld h LYS 37 N -1.19 0.85 0.00 4.56 1.57 -1.96 -3.44 116.57 116.96 1kld h LYS 37 Ca -0.48 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1kld h LYS 37 Cb 1.31 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1kld h LYS 37 CO 0.63 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 180.48 1kld n GLY 38 N -1.42 3.61 0.00 3.86 0.00 -1.26 0.08 105.19 110.06 1kld n GLY 38 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.94 1.61 4.11 -1.00 -4.85 117.16 114.09 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 -1.01 -0.00 0.00 0.00 176.86 175.85 1kld s HIS 40 N -2.00 3.47 0.21 -3.48 3.76 -1.26 -1.36 115.29 114.63 1kld s HIS 40 Ca 0.00 -2.08 -0.07 0.00 -0.15 0.00 0.00 55.06 52.77 1kld s HIS 40 Cb 0.00 -4.31 0.17 0.00 1.11 0.00 0.00 32.58 29.55 1kld s HIS 40 CO 0.00 -1.41 1.72 0.00 -0.85 0.00 0.00 174.74 174.20 1kld h ALA 41 N 7.28 0.97 -3.17 -1.40 0.00 -1.85 -3.40 119.26 117.70 1kld h ALA 41 Ca 0.30 -0.26 0.35 0.00 0.00 0.00 0.00 54.91 55.30 1kld h ALA 41 Cb 0.88 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 1kld h ALA 41 CO 1.23 0.65 -0.83 0.09 0.00 0.00 0.00 179.25 180.39 1kld n ASN 42 N -4.22 -8.20 0.00 0.00 4.13 -1.22 -1.99 115.26 103.76 1kld n ASN 42 Ca 0.04 0.94 0.00 0.00 1.68 0.00 0.00 54.58 57.25 1kld n ASN 42 Cb 0.29 -4.39 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1kld n ASN 42 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1kld n PHE 43 N -4.20 0.00 -4.53 3.10 -1.74 -1.12 -4.61 117.46 104.37 1kld n PHE 43 Ca -0.03 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.53 1kld n PHE 43 Cb 0.64 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.53 1kld n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1kld n LEU 45 N 1.67 0.00 -0.53 0.00 4.77 -1.21 -4.88 117.00 116.82 1kld n LEU 45 Ca -0.16 -3.11 0.01 0.00 -0.03 0.00 0.00 56.01 52.72 1kld n LEU 45 Cb 0.52 1.49 -0.00 0.00 -2.33 0.00 0.00 43.42 43.10 1kld n LEU 45 CO 0.29 -0.51 -0.17 0.61 -1.33 0.00 0.00 177.39 176.29 1kld n GLY 46 N -0.67 -3.20 0.00 -0.72 0.00 -1.26 -2.40 105.19 96.94 1kld n GLY 46 Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.96 1.13 -3.72 1.61 -0.04 -1.26 -4.35 135.00 126.40 1kld n PRO 47 Ca -0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.31 1kld n PRO 47 Cb 0.17 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.49 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 4.51 1.47 -1.31 0.00 -0.04 -1.26 -4.53 135.00 133.84 1kld n PRO 49 Ca -0.21 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.94 1kld n PRO 49 Cb 0.51 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.08 1kld n PRO 49 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1kld n TYR 50 N -0.09 3.17 0.00 0.54 4.11 -1.26 -4.43 117.16 119.20 1kld n TYR 50 Ca 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 57.90 55.22 1kld n TYR 50 Cb 0.00 -1.29 0.00 0.00 -0.00 0.00 0.00 39.34 38.05 1kld n TYR 50 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30 1kld n ILE 51 N -0.98 0.00 -1.49 -3.48 -5.35 -1.26 -4.95 119.36 101.84 1kld n ILE 51 Ca 0.62 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.95 1kld n ILE 51 Cb 0.96 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.74 1kld n ILE 51 CO 0.00 0.00 0.00 1.87 -1.76 0.00 0.00 176.55 176.66 1kld n TRP 52 N -0.82 0.67 -2.76 4.28 -0.00 -1.26 -3.83 117.44 113.72 1kld n TRP 52 Ca 0.00 -0.03 -0.19 0.00 -0.00 0.00 0.00 57.50 57.28 1kld n TRP 52 Cb 0.00 -1.78 0.01 0.00 -0.00 0.00 0.00 31.31 29.54 1kld n TRP 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1kld n SER 53 N 13.60 -2.93 -4.72 5.87 7.64 -1.26 -4.81 113.62 127.02 1kld n SER 53 Ca 0.49 -0.28 -0.40 0.00 1.01 0.00 0.00 58.87 59.68 1kld n SER 53 Cb 0.35 -0.90 -0.04 0.00 -1.01 0.00 0.00 64.21 62.61 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1kld s LEU 54 N -2.32 4.33 0.02 -3.43 1.43 -1.25 -4.05 118.68 113.41 1kld s LEU 54 Ca 0.13 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1kld s LEU 54 Cb -0.01 -3.14 -0.26 0.00 0.03 0.00 0.00 46.19 42.81 1kld s LEU 54 CO 0.50 -0.13 0.91 -0.78 0.23 0.00 0.00 176.35 177.08 1kld h ASP 55 N 6.74 0.29 -1.96 2.29 3.58 -1.88 -3.47 116.42 122.01 1kld h ASP 55 Ca -0.41 -0.39 -0.59 0.00 0.42 0.00 0.00 57.03 56.05 1kld h ASP 55 Cb 1.20 -0.09 -0.13 0.00 1.72 0.00 0.00 39.33 42.02 1kld h ASP 55 CO 0.75 1.33 -0.59 0.42 -2.88 0.00 0.00 179.24 178.27 1kld s THR 56 N -2.63 1.65 0.08 2.25 -4.23 -1.26 -5.05 115.64 106.45 1kld s THR 56 Ca -0.07 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.42 1kld s THR 56 Cb 0.07 -2.83 -0.27 0.00 1.34 0.00 0.00 72.50 70.82 1kld s THR 56 CO 0.85 0.00 1.16 -0.61 -0.54 0.00 0.00 174.62 175.48 1kld h GLN 57 N 1.81 0.22 0.00 3.99 5.75 -1.97 -3.11 115.11 121.80 1kld h GLN 57 Ca -0.43 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 57.70 1kld h GLN 57 Cb 1.25 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.94 1kld h GLN 57 CO 0.76 1.17 0.00 0.98 -2.65 0.00 0.00 178.83 179.10 1kld n TYR 58 N -3.49 0.01 0.16 3.99 9.36 -1.26 -1.74 117.16 124.19 1kld n TYR 58 Ca -0.07 0.01 0.04 0.00 3.32 0.00 0.00 57.90 61.20 1kld n TYR 58 Cb 1.01 -0.51 0.14 0.00 -0.63 0.00 0.00 39.34 39.35 1kld n TYR 58 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1kld h SER 59 N 0.00 0.00 0.55 2.98 0.02 -1.87 -2.58 113.55 112.65 1kld h SER 59 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1kld h SER 59 Cb 0.16 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1kld h SER 59 CO 0.00 0.45 -1.59 0.07 -1.14 0.00 0.00 176.83 174.63 1kld h LYS 60 N 0.00 0.04 0.18 3.45 2.10 -1.51 -3.01 116.57 117.81 1kld h LYS 60 Ca -0.00 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1kld h LYS 60 Cb 1.21 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1kld h LYS 60 CO 0.06 0.68 -0.08 0.28 -2.00 0.00 0.00 179.45 178.38 1kld h VAL 61 N 0.01 0.00 -0.60 0.07 2.07 -1.58 -3.17 116.25 113.05 1kld h VAL 61 Ca -0.24 -0.39 0.17 0.00 0.82 0.00 0.00 66.70 67.06 1kld h VAL 61 Cb 1.97 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1kld h VAL 61 CO 0.10 0.00 0.50 0.25 0.02 0.00 0.00 177.57 178.44 1kld h LEU 62 N -0.63 0.00 -0.54 2.57 5.85 -1.66 0.14 115.31 121.04 1kld h LEU 62 Ca -0.02 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1kld h LEU 62 Cb 0.18 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1kld h LEU 62 CO 0.04 0.00 0.17 0.00 -0.34 0.00 0.00 178.44 178.31 1kld h ALA 63 N 1.56 0.66 -0.04 1.25 0.00 -1.50 -1.83 119.26 119.36 1kld h ALA 63 Ca 0.29 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1kld h ALA 63 Cb 1.29 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1kld h ALA 63 CO -0.00 -0.24 -0.43 -0.07 0.00 0.00 0.00 179.25 178.51 1kld h LEU 64 N 0.34 0.44 -1.33 0.00 3.38 -0.75 -1.89 115.31 115.50 1kld h LEU 64 Ca 0.27 -0.71 0.43 0.00 0.09 0.00 0.00 57.88 57.95 1kld h LEU 64 Cb 0.32 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 1kld h LEU 64 CO -0.29 1.09 0.80 0.22 0.09 0.00 0.00 178.44 180.35 1kld h TYR 65 N -0.16 0.58 0.02 1.13 5.03 -0.73 0.20 116.97 123.03 1kld h TYR 65 Ca -0.04 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.09 1kld h TYR 65 Cb 1.13 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.24 1kld h TYR 65 CO 0.14 -0.23 -1.11 -0.97 -1.32 0.00 0.00 178.16 174.67 1kld h ASN 66 N 0.09 0.06 0.00 -2.11 -1.24 -1.32 -3.26 115.58 107.80 1kld h ASN 66 Ca 0.82 -0.65 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1kld h ASN 66 Cb 2.48 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 41.51 1kld h ASN 66 CO -0.47 1.45 0.26 0.00 -1.29 0.00 0.00 177.43 177.38 1kld n GLN 67 N -4.36 0.09 -0.09 6.67 6.02 0.15 -1.26 117.38 124.61 1kld n GLN 67 Ca -0.28 0.57 -0.22 0.00 -0.01 0.00 0.00 57.00 57.06 1kld n GLN 67 Cb 0.69 -2.06 -0.12 0.00 1.02 0.00 0.00 30.24 29.77 1kld n GLN 67 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1kld n HIS 68 N -2.05 0.98 -3.50 1.08 8.25 0.46 -4.81 115.22 115.62 1kld n HIS 68 Ca -0.01 0.37 -0.40 0.00 -0.26 0.00 0.00 57.72 57.42 1kld n HIS 68 Cb 0.28 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.18 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 -6.94 6.09 -0.39 0.41 -0.87 -0.39 -5.04 114.94 107.82 1kld s ASN 69 Ca -0.28 -0.22 -0.29 0.00 -1.57 0.00 0.00 52.86 50.49 1kld s ASN 69 Cb 0.07 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 39.16 1kld s ASN 69 CO 0.62 -0.21 1.22 -2.16 -2.57 0.00 0.00 177.10 174.00 1kld s PRO 70 N 1.83 3.82 0.00 -0.60 0.04 -1.26 -3.10 135.00 135.73 1kld s PRO 70 Ca 0.08 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1kld s PRO 70 Cb -0.17 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1kld s PRO 70 CO 0.11 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1kld n GLY 71 N 4.55 1.31 3.66 0.56 0.00 -1.26 -5.09 105.19 108.92 1kld n GLY 71 Ca 0.14 0.00 -0.42 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 -1.99 3.60 -1.64 4.61 0.00 -1.18 -4.90 121.76 120.27 1kld s ALA 72 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.04 1kld s ALA 72 Cb 0.00 -3.31 0.34 0.00 0.00 0.00 0.00 23.12 20.16 1kld s ALA 72 CO 0.00 -0.84 1.23 0.43 0.00 0.00 0.00 175.76 176.58 1kld n SER 73 N 5.76 2.32 -0.20 0.00 7.64 -1.26 -3.98 113.62 123.91 1kld n SER 73 Ca 0.06 -2.12 0.02 0.00 1.01 0.00 0.00 58.87 57.84 1kld n SER 73 Cb 0.48 -0.34 0.05 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.50 2.48 -0.74 -0.43 0.00 -1.26 -4.88 120.51 116.19 1kld n ALA 74 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1kld n ALA 74 Cb 0.42 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.19 -1.49 -1.00 0.00 0.00 -1.26 -4.89 120.51 111.68 1kld n ALA 75 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1kld n ALA 75 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.80 0.21 -3.40 0.00 -0.04 -1.26 -4.99 135.00 123.72 1kld n PRO 76 Ca 0.04 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1kld n PRO 76 Cb 0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.53 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 -1.13 0.11 -0.84 0.00 -7.23 -0.30 -4.80 120.40 106.20 1kld s VAL 79 Ca 0.53 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.79 1kld s VAL 79 Cb -0.45 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.66 1kld s VAL 79 CO 0.61 -0.49 1.48 -2.16 -0.31 0.00 0.00 175.10 174.23 1kld s PRO 80 N -3.99 3.20 0.00 4.82 0.04 -1.26 -0.11 135.00 137.70 1kld s PRO 80 Ca 0.18 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1kld s PRO 80 Cb 0.06 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1kld s PRO 80 CO -0.01 -2.37 0.84 0.94 0.04 0.00 0.00 177.00 176.43 1kld n GLN 81 N 9.13 0.00 -2.59 4.56 7.27 0.14 -4.75 117.38 131.14 1kld n GLN 81 Ca 0.20 0.41 -0.28 0.00 0.07 0.00 0.00 57.00 57.40 1kld n GLN 81 Cb 0.50 -1.37 -0.00 0.00 2.41 0.00 0.00 30.24 31.78 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 -2.85 3.37 0.00 1.69 0.00 -1.20 -4.95 121.76 117.83 1kld s ALA 82 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1kld s ALA 82 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1kld s ALA 82 CO 0.00 -0.35 0.00 1.28 0.00 0.00 0.00 175.76 176.69 1kld n LEU 83 N -2.22 0.00 -3.70 0.00 4.77 -1.26 -1.89 117.00 112.69 1kld n LEU 83 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1kld n LEU 83 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1kld n LEU 83 CO 0.53 0.00 0.11 -1.61 -1.33 0.00 0.00 177.39 175.09 1kld s GLU 84 N -1.78 0.81 0.00 3.23 2.02 -0.30 -4.56 118.70 118.12 1kld s GLU 84 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1kld s GLU 84 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.59 1kld s GLU 84 CO 0.00 -0.25 0.00 -0.35 0.02 0.00 0.00 175.26 174.68 1kld n PRO 85 N 0.88 0.90 -3.22 0.39 -0.04 -1.26 0.57 135.00 133.23 1kld n PRO 85 Ca -0.20 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1kld n PRO 85 Cb 0.58 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.01 -0.45 1.53 2.96 0.13 -4.32 118.68 117.52 1kld s LEU 86 Ca 0.00 0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 54.37 1kld s LEU 86 Cb 0.00 1.89 0.01 0.00 0.50 0.00 0.00 46.19 48.59 1kld s LEU 86 CO 0.00 -0.19 1.42 -2.16 -1.32 0.00 0.00 176.35 174.10 1kld s PRO 87 N 2.86 3.50 0.00 0.98 0.04 -1.26 0.11 135.00 141.22 1kld s PRO 87 Ca 0.10 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1kld s PRO 87 Cb -0.12 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1kld s PRO 87 CO -0.17 -1.67 0.00 0.44 0.04 0.00 0.00 177.00 175.64 1kld n ILE 88 N 7.04 0.00 -3.22 0.56 -5.35 -0.82 -4.28 119.36 113.29 1kld n ILE 88 Ca 0.16 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.67 1kld n ILE 88 Cb 0.48 -0.03 -0.02 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 0.73 -0.78 0.13 7.28 1.01 0.13 -2.95 120.40 125.95 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 5.41 0.27 -4.48 5.22 4.11 -0.32 -1.26 117.16 126.12 1kld n TYR 90 Ca -0.04 -0.67 -0.23 0.00 -0.00 0.00 0.00 57.90 56.96 1kld n TYR 90 Cb 0.52 -0.08 -0.16 0.00 -0.00 0.00 0.00 39.34 39.62 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 -1.56 1.22 -0.67 -3.48 1.51 -1.26 -1.64 117.35 111.48 1kld s TYR 91 Ca 0.01 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1kld s TYR 91 Cb 0.00 -0.91 0.17 0.00 -0.11 0.00 0.00 41.96 41.12 1kld s TYR 91 CO 0.01 -0.21 0.54 0.08 -1.11 0.00 0.00 175.55 174.86 1kld s VAL 92 N 0.56 4.58 0.00 0.71 1.01 -0.66 -4.83 120.40 121.77 1kld s VAL 92 Ca -0.11 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.39 1kld s VAL 92 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1kld s VAL 92 CO 0.02 -0.91 0.00 0.61 0.00 0.00 0.00 175.10 174.82 1kld n GLY 93 N 4.02 2.13 0.00 4.51 0.00 -1.26 -2.81 105.19 111.79 1kld n GLY 93 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.67 1.61 5.12 -1.26 -5.07 116.66 113.38 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 -0.28 -0.08 0.00 -1.16 0.00 0.00 32.46 30.94 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 4.17 0.24 5.56 3.01 -1.12 -5.07 119.74 126.53 1kld s LYS 95 Ca 0.00 -0.17 -0.30 0.00 -1.01 0.00 0.00 55.97 54.49 1kld s LYS 95 Cb 0.00 -3.45 -0.09 0.00 -1.01 0.00 0.00 37.83 33.28 1kld s LYS 95 CO 0.00 0.22 1.00 -1.25 0.51 0.00 0.00 175.35 175.84 1kld s PRO 96 N 0.57 4.76 -0.04 -1.68 0.04 -1.26 -1.65 135.00 135.74 1kld s PRO 96 Ca 0.10 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 1kld s PRO 96 Cb -0.12 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1kld s PRO 96 CO 0.01 0.37 0.10 0.15 0.04 0.00 0.00 177.00 177.67 1kld s LYS 97 N -1.11 0.11 -0.11 4.56 -0.14 -0.65 -4.96 119.74 117.43 1kld s LYS 97 Ca 0.43 0.17 -0.01 0.00 -1.36 0.00 0.00 55.97 55.21 1kld s LYS 97 Cb -0.28 0.02 -0.03 0.00 -1.68 0.00 0.00 37.83 35.86 1kld s LYS 97 CO 0.35 -0.04 -0.07 0.08 -0.76 0.00 0.00 175.35 174.91 1kld s VAL 98 N 0.23 3.62 0.00 3.17 1.01 -1.26 -1.17 120.40 126.00 1kld s VAL 98 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1kld s VAL 98 Cb -0.02 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1kld s VAL 98 CO -0.01 0.55 0.00 1.21 0.00 0.00 0.00 175.10 176.85 1kld n GLU 99 N 2.87 1.16 -3.19 2.72 4.07 -1.15 -4.96 120.64 122.16 1kld n GLU 99 Ca -0.18 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.77 1kld n GLU 99 Cb 0.53 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.85 1kld n GLU 99 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1kld s GLN 100 N 1.07 0.87 0.44 5.31 -0.21 -1.25 -1.95 119.66 123.94 1kld s GLN 100 Ca 0.00 -1.31 -0.21 0.00 0.02 0.00 0.00 55.36 53.85 1kld s GLN 100 Cb 0.00 -0.72 -0.13 0.00 1.00 0.00 0.00 33.01 33.16 1kld s GLN 100 CO 0.00 -1.30 0.36 1.28 -2.12 0.00 0.00 175.29 173.51 1kld n LEU 101 N 3.39 -1.05 -4.89 2.90 4.77 0.12 -4.26 117.00 117.98 1kld n LEU 101 Ca 0.19 0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 56.72 1kld n LEU 101 Cb 0.50 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.51 1kld n LEU 101 CO 0.05 -3.43 -0.17 -0.94 -1.33 0.00 0.00 177.39 171.57 1kld s SER 102 N -0.99 6.15 -1.20 -1.43 1.04 -1.26 0.17 113.70 116.17 1kld s SER 102 Ca 0.62 0.18 -0.13 0.00 0.48 0.00 0.00 55.95 57.10 1kld s SER 102 Cb -0.59 -1.83 0.12 0.00 0.10 0.00 0.00 66.02 63.82 1kld s SER 102 CO 0.60 0.15 0.42 0.59 0.98 0.00 0.00 173.24 175.97 1kld n ASN 103 N 0.15 -2.28 -0.88 7.02 5.03 -1.19 -4.73 115.26 118.38 1kld n ASN 103 Ca -0.06 -0.51 0.09 0.00 0.87 0.00 0.00 54.58 54.97 1kld n ASN 103 Cb 0.52 -1.96 0.26 0.00 -1.02 0.00 0.00 39.78 37.57 1kld n ASN 103 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1kld n MET 104 N -3.57 2.13 -4.09 3.52 1.56 0.19 -4.72 117.12 112.15 1kld n MET 104 Ca 0.04 -1.73 -0.10 0.00 -0.27 0.00 0.00 57.70 55.64 1kld n MET 104 Cb 0.49 -1.41 -0.09 0.00 2.15 0.00 0.00 33.22 34.36 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 -1.47 0.06 -0.06 1.12 1.01 0.19 -4.77 121.20 117.28 1kld s ILE 105 Ca 0.34 -1.71 0.01 0.00 0.00 0.00 0.00 60.65 59.29 1kld s ILE 105 Cb 0.18 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1kld s ILE 105 CO 0.25 -0.25 -0.07 -0.69 0.00 0.00 0.00 174.94 174.18 1kld s VAL 106 N -4.05 3.69 0.00 2.92 1.01 -0.84 -1.15 120.40 121.98 1kld s VAL 106 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1kld s VAL 106 Cb 0.05 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1kld s VAL 106 CO 0.04 0.59 0.00 -1.14 0.00 0.00 0.00 175.10 174.59 1kld n ARG 107 N 2.18 1.84 -3.56 2.72 0.63 -0.79 -4.78 116.66 114.90 1kld n ARG 107 Ca -0.18 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.62 1kld n ARG 107 Cb 0.53 -0.83 -0.06 0.00 0.45 0.00 0.00 32.46 32.55 1kld n ARG 107 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1kld s SER 108 N -1.56 -0.49 0.49 6.15 0.15 -1.22 -3.56 113.70 113.64 1kld s SER 108 Ca 0.00 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.26 1kld s SER 108 Cb 0.00 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 1kld s SER 108 CO 0.00 -0.44 0.13 0.00 1.20 0.00 0.00 173.24 174.14 1kld n LYS 110 N -1.34 0.00 -3.70 0.00 2.85 0.84 -4.60 118.16 112.21 1kld n LYS 110 Ca -0.10 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.87 1kld n LYS 110 Cb 0.66 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.91 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35