#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 4.79 0.00 0.00 4.77 -1.26 -4.76 117.00 120.54 1kld n LEU 2 Ca 0.00 -5.41 -0.23 0.00 -0.03 0.00 0.00 56.01 50.34 1kld n LEU 2 Cb 0.00 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1kld n LEU 2 CO 0.00 2.27 0.11 -0.90 -1.33 0.00 0.00 177.39 177.54 1kld n ASP 3 N -0.37 2.52 0.00 -1.43 5.75 -1.26 -2.92 116.55 118.84 1kld n ASP 3 Ca 0.36 -2.71 0.07 0.00 -0.01 0.00 0.00 54.79 52.50 1kld n ASP 3 Cb 0.52 -0.10 0.41 0.00 -1.03 0.00 0.00 41.12 40.92 1kld n ASP 3 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1kld n THR 4 N -1.79 0.00 -0.10 2.12 -2.24 -1.26 -1.85 114.28 109.15 1kld n THR 4 Ca 0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 1kld n THR 4 Cb 0.58 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.73 1.97 0.10 3.42 5.15 -1.26 -3.91 115.26 120.00 1kld n ASN 5 Ca 0.10 0.21 0.12 0.00 -0.60 0.00 0.00 54.58 54.42 1kld n ASN 5 Cb 0.05 -0.76 0.09 0.00 -0.53 0.00 0.00 39.78 38.63 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 -0.55 0.00 0.00 1.20 3.20 -1.87 -3.28 116.97 115.67 1kld h TYR 6 Ca -0.54 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.33 1kld h TYR 6 Cb 1.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.96 1kld h TYR 6 CO 0.02 0.00 -0.17 0.00 -1.64 0.00 0.00 178.16 176.36 1kld n PHE 8 N -1.84 0.71 -1.89 0.00 3.01 -1.24 -4.78 117.46 111.43 1kld n PHE 8 Ca 0.06 -1.53 0.00 0.00 1.01 0.00 0.00 57.45 56.99 1kld n PHE 8 Cb 0.38 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.89 1kld n PHE 8 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1kld n SER 9 N 1.23 0.37 0.00 4.37 2.88 -1.25 -5.06 113.62 116.16 1kld n SER 9 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1kld n SER 9 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1kld n SER 9 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1kld n SER 10 N 0.00 0.24 -4.87 -3.46 2.88 -1.26 -5.06 113.62 102.09 1kld n SER 10 Ca 0.00 -0.58 -0.27 0.00 -1.33 0.00 0.00 58.87 56.69 1kld n SER 10 Cb 0.00 0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.50 1.68 0.30 2.46 -1.32 -1.26 -5.01 115.64 111.99 1kld s THR 11 Ca 0.00 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 1kld s THR 11 Cb 0.00 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 1kld s THR 11 CO 0.00 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.79 1kld n GLU 12 N -1.64 -3.89 0.00 7.08 4.71 -1.26 -4.97 120.64 120.67 1kld n GLU 12 Ca -0.04 2.82 0.00 0.00 -0.01 0.00 0.00 57.16 59.93 1kld n GLU 12 Cb 0.65 -3.11 0.00 0.00 -1.01 0.00 0.00 31.44 27.97 1kld n GLU 12 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1kld n LYS 13 N 0.15 0.42 0.00 3.49 2.85 -1.26 -5.02 118.16 118.79 1kld n LYS 13 Ca 0.00 -0.55 0.00 0.00 -1.05 0.00 0.00 58.31 56.71 1kld n LYS 13 Cb 0.00 -0.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1kld n ASN 14 N -0.08 0.00 -4.53 -5.58 4.13 -1.26 -4.08 115.26 103.85 1kld n ASN 14 Ca 0.00 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 1kld n ASN 14 Cb 0.36 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.47 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 1.76 3.15 0.39 0.00 0.11 -1.26 -3.42 120.40 121.13 1kld s VAL 17 Ca 0.01 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1kld s VAL 17 Cb -0.13 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.53 1kld s VAL 17 CO -0.04 -0.10 0.59 -0.13 -3.33 0.00 0.00 175.10 172.08 1kld s ARG 18 N 5.84 3.18 0.38 1.54 0.52 -0.03 -4.53 118.95 125.84 1kld s ARG 18 Ca 0.93 -0.59 -0.27 0.00 -0.52 0.00 0.00 55.73 55.28 1kld s ARG 18 Cb -0.32 -2.65 -0.10 0.00 0.52 0.00 0.00 34.95 32.40 1kld s ARG 18 CO 0.35 -0.08 1.33 1.14 0.02 0.00 0.00 175.30 178.06 1kld s GLN 19 N -4.39 4.12 -0.33 3.54 0.00 -1.26 -2.62 119.66 118.71 1kld s GLN 19 Ca 0.45 2.23 0.16 0.00 -0.00 0.00 0.00 55.36 58.20 1kld s GLN 19 Cb -0.10 -2.89 0.44 0.00 0.00 0.00 0.00 33.01 30.46 1kld s GLN 19 CO 0.36 -0.39 1.18 -0.11 0.00 0.00 0.00 175.29 176.32 1kld n LEU 20 N 0.40 0.13 -4.55 2.60 7.94 -1.26 -4.79 117.00 117.47 1kld n LEU 20 Ca 0.02 -3.44 -0.50 0.00 -1.11 0.00 0.00 56.01 50.98 1kld n LEU 20 Cb 0.42 0.28 -0.04 0.00 0.53 0.00 0.00 43.42 44.61 1kld n LEU 20 CO 0.58 1.57 0.62 0.00 -1.11 0.00 0.00 177.39 179.05 1kld n TYR 21 N -0.53 1.01 -4.05 1.96 4.19 -1.26 -3.30 117.16 115.18 1kld n TYR 21 Ca 0.01 0.76 -0.31 0.00 3.31 0.00 0.00 57.90 61.67 1kld n TYR 21 Cb 0.83 -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 -0.26 1.86 -0.89 2.97 1.01 -0.59 -4.85 121.20 120.46 1kld s ILE 22 Ca 0.75 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.12 1kld s ILE 22 Cb -0.92 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 39.79 1kld s ILE 22 CO 0.53 0.28 1.26 -0.62 0.00 0.00 0.00 174.94 176.40 1kld s ASP 23 N 1.32 6.42 0.00 3.58 2.15 -1.26 -2.42 116.67 126.47 1kld s ASP 23 Ca 0.00 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.62 1kld s ASP 23 Cb -0.15 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1kld s ASP 23 CO -0.09 -1.44 0.00 0.49 -0.17 0.00 0.00 175.17 173.95 1kld n PHE 24 N 8.19 0.00 0.07 -5.34 3.72 -0.12 0.18 117.46 124.16 1kld n PHE 24 Ca 0.20 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.37 1kld n PHE 24 Cb 0.49 -0.32 -0.15 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.39 -0.10 -1.08 1.12 -1.79 1.14 114.38 114.06 1kld h ARG 25 Ca 0.00 -0.66 -0.01 0.00 -1.11 0.00 0.00 59.98 58.20 1kld h ARG 25 Cb 0.00 0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 30.20 1kld h ARG 25 CO 0.00 1.31 0.04 -0.22 -3.11 0.00 0.00 179.97 177.99 1kld h LYS 26 N 0.11 0.15 0.00 0.20 3.11 0.16 -1.21 116.57 119.08 1kld h LYS 26 Ca -0.35 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.46 1kld h LYS 26 Cb 2.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 33.30 1kld h LYS 26 CO 0.17 0.28 -0.49 -0.44 -2.81 0.00 0.00 179.45 176.16 1kld h ASP 27 N -0.01 0.00 0.93 4.20 3.32 -1.39 -3.41 116.42 120.06 1kld h ASP 27 Ca 0.03 -0.02 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 0.76 -0.73 -0.07 -1.72 0.00 0.00 179.24 177.47 1kld h LEU 28 N -1.00 0.00 0.31 1.55 3.38 -1.62 -3.47 115.31 114.46 1kld h LEU 28 Ca -0.01 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1kld h LEU 28 Cb 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1kld h LEU 28 CO -0.01 0.07 -0.12 0.61 0.09 0.00 0.00 178.44 179.09 1kld n GLY 29 N 1.28 0.69 3.62 0.83 0.00 0.37 -4.84 105.19 107.14 1kld n GLY 29 Ca 0.02 -0.06 -0.58 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.27 1.43 0.61 1.61 7.02 0.17 -4.78 117.44 121.24 1kld n TRP 30 Ca -0.07 0.82 0.07 0.00 -1.02 0.00 0.00 57.50 57.31 1kld n TRP 30 Cb 0.49 -2.28 -0.09 0.00 -2.42 0.00 0.00 31.31 27.01 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 3.12 1.78 0.00 -0.99 5.02 -1.26 -4.30 118.16 121.53 1kld n LYS 31 Ca 0.23 -0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 1kld n LYS 31 Cb 0.10 -1.24 0.62 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.45 0.00 -4.90 2.13 4.27 -1.26 -4.77 117.44 111.46 1kld n TRP 32 Ca 0.02 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.35 1kld n TRP 32 Cb 0.26 -0.08 -0.17 0.00 -1.36 0.00 0.00 31.31 29.96 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 -2.24 1.59 -0.23 -1.67 1.01 -1.26 -4.32 121.20 114.07 1kld s ILE 33 Ca 0.35 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 1kld s ILE 33 Cb 0.21 -1.40 -0.17 0.00 0.01 0.00 0.00 42.46 41.11 1kld s ILE 33 CO 0.42 0.45 -0.03 1.57 0.00 0.00 0.00 174.94 177.35 1kld n HIS 34 N 3.62 0.56 -4.18 3.97 -0.00 -0.35 -4.95 115.22 113.89 1kld n HIS 34 Ca -0.21 0.21 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1kld n HIS 34 Cb 0.52 -1.06 -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 -2.46 0.86 0.96 1.57 0.41 -0.84 -4.40 118.70 114.80 1kld s GLU 35 Ca -0.33 -1.24 -0.16 0.00 -0.41 0.00 0.00 54.97 52.84 1kld s GLU 35 Cb 0.10 -0.42 0.19 0.00 -1.78 0.00 0.00 34.13 32.21 1kld s GLU 35 CO 0.58 0.05 1.27 -1.25 -0.49 0.00 0.00 175.26 175.41 1kld s PRO 36 N -3.23 0.67 0.38 0.39 0.04 -1.26 -0.22 135.00 131.78 1kld s PRO 36 Ca 0.09 -0.26 0.10 0.00 0.04 0.00 0.00 61.00 60.97 1kld s PRO 36 Cb 0.00 -1.84 0.88 0.00 0.04 0.00 0.00 34.50 33.58 1kld s PRO 36 CO -0.01 -2.42 1.92 0.87 0.04 0.00 0.00 177.00 177.40 1kld h LYS 37 N -1.65 0.59 0.00 4.56 1.57 -1.97 -3.44 116.57 116.24 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 1.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1kld h LYS 37 CO 0.43 0.39 0.00 0.41 -0.57 0.00 0.00 179.45 180.11 1kld n GLY 38 N -1.47 2.54 0.00 3.86 0.00 -1.26 -0.94 105.19 107.92 1kld n GLY 38 Ca 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.92 1.61 4.11 -1.01 -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 3.46 0.28 -3.48 3.76 -1.26 -1.53 115.29 114.52 1kld s HIS 40 Ca 0.00 -2.12 0.01 0.00 -0.15 0.00 0.00 55.06 52.81 1kld s HIS 40 Cb 0.00 -4.34 0.41 0.00 1.11 0.00 0.00 32.58 29.76 1kld s HIS 40 CO 0.00 -1.42 1.75 0.00 -0.85 0.00 0.00 174.74 174.22 1kld h ALA 41 N 7.16 1.13 -3.08 -1.40 0.00 -1.86 -3.40 119.26 117.81 1kld h ALA 41 Ca 0.33 -0.30 0.36 0.00 0.00 0.00 0.00 54.91 55.30 1kld h ALA 41 Cb 0.87 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1kld h ALA 41 CO 1.26 0.54 -0.59 0.09 0.00 0.00 0.00 179.25 180.55 1kld n ASN 42 N -4.18 -8.08 0.00 0.00 3.02 -1.21 -2.59 115.26 102.22 1kld n ASN 42 Ca 0.01 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1kld n ASN 42 Cb 0.35 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 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 -4.05 0.00 -4.84 3.10 -1.74 -1.08 -4.63 117.46 104.23 1kld n PHE 43 Ca -0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.61 1kld n PHE 43 Cb 0.66 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.52 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 -1.10 1.70 0.22 0.00 1.43 -1.22 -4.87 118.68 114.85 1kld s LEU 45 Ca 0.10 -1.74 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 1kld s LEU 45 Cb -0.09 0.61 0.00 0.00 0.03 0.00 0.00 46.19 46.73 1kld s LEU 45 CO 0.01 -1.07 0.00 0.61 0.23 0.00 0.00 176.35 176.13 1kld n GLY 46 N -0.61 -3.35 0.00 -3.19 0.00 -1.26 -2.72 105.19 94.06 1kld n GLY 46 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.76 1.21 -3.68 1.61 -0.04 -1.26 -3.66 135.00 127.41 1kld n PRO 47 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1kld n PRO 47 Cb 0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.46 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 5.10 0.00 0.00 0.00 -0.04 -1.26 -4.60 135.00 134.20 1kld n PRO 49 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1kld n PRO 49 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.00 0.00 0.98 0.54 4.01 -1.26 -4.57 117.16 116.85 1kld n TYR 50 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1kld n TYR 50 Cb 0.00 0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.39 1kld n TYR 50 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1kld n ILE 51 N -1.70 0.00 -2.27 -0.72 -5.35 -1.26 -4.48 119.36 103.57 1kld n ILE 51 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1kld n ILE 51 Cb 0.00 -0.64 -0.04 0.00 -1.74 0.00 0.00 39.64 37.22 1kld n ILE 51 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1kld s TRP 52 N -2.00 2.23 -0.00 4.28 -0.00 -1.26 -4.54 118.94 117.64 1kld s TRP 52 Ca 0.18 -0.25 -0.00 0.00 -0.00 0.00 0.00 56.10 56.03 1kld s TRP 52 Cb 0.08 -4.32 0.00 0.00 -0.00 0.00 0.00 33.47 29.24 1kld s TRP 52 CO 0.14 -1.59 0.00 0.45 -0.00 0.00 0.00 176.95 175.95 1kld n SER 53 N 11.89 -6.82 -4.73 5.86 2.88 -1.26 -4.79 113.62 116.65 1kld n SER 53 Ca 0.43 0.55 -0.35 0.00 -1.33 0.00 0.00 58.87 58.16 1kld n SER 53 Cb 0.47 -1.61 -0.08 0.00 -0.75 0.00 0.00 64.21 62.25 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 -0.76 4.22 -0.01 2.46 1.43 -1.26 -4.33 118.68 120.42 1kld s LEU 54 Ca -0.00 0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1kld s LEU 54 Cb 0.00 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1kld s LEU 54 CO 0.01 0.16 -0.01 -0.67 0.23 0.00 0.00 176.35 176.07 1kld n ASP 55 N 3.52 0.08 -4.95 2.29 2.03 -1.25 -5.00 116.55 113.28 1kld n ASP 55 Ca -0.15 0.16 -0.23 0.00 0.52 0.00 0.00 54.79 55.09 1kld n ASP 55 Cb 0.52 -0.51 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.06 4.57 0.38 5.18 -4.23 -1.26 -4.98 115.64 114.23 1kld s THR 56 Ca -0.01 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.01 1kld s THR 56 Cb 0.00 -3.66 0.17 0.00 1.34 0.00 0.00 72.50 70.35 1kld s THR 56 CO 0.01 -0.41 1.93 -0.61 -0.54 0.00 0.00 174.62 175.00 1kld h GLN 57 N 0.66 0.33 0.00 3.99 5.75 -1.99 -1.19 115.11 122.66 1kld h GLN 57 Ca -0.48 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 1kld h GLN 57 Cb 1.24 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 1kld h GLN 57 CO 0.59 0.40 -0.09 -0.92 -2.65 0.00 0.00 178.83 176.16 1kld h TYR 58 N 0.31 0.00 0.00 3.99 3.20 -2.00 -1.18 116.97 121.30 1kld h TYR 58 Ca 0.07 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1kld h TYR 58 Cb 0.31 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1kld h TYR 58 CO 0.01 0.09 -0.14 0.77 -1.64 0.00 0.00 178.16 177.25 1kld h SER 59 N 0.00 0.00 0.35 -2.11 0.02 -1.55 -1.87 113.55 108.39 1kld h SER 59 Ca -0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1kld h SER 59 Cb 0.27 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.83 1kld h SER 59 CO 0.01 0.14 -1.49 0.11 -1.14 0.00 0.00 176.83 174.45 1kld h LYS 60 N 0.00 0.42 0.00 3.45 1.57 -1.29 -2.93 116.57 117.79 1kld h LYS 60 Ca -0.00 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1kld h LYS 60 Cb 0.56 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1kld h LYS 60 CO 0.02 1.33 0.00 0.28 -0.57 0.00 0.00 179.45 180.51 1kld n VAL 61 N -3.62 0.00 -0.41 0.50 0.31 -1.08 -3.27 118.33 110.77 1kld n VAL 61 Ca -0.17 0.81 0.39 0.00 -0.01 0.00 0.00 64.34 65.37 1kld n VAL 61 Cb 1.08 -1.67 0.73 0.00 -0.91 0.00 0.00 33.84 33.07 1kld n VAL 61 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1kld h LEU 62 N 0.00 0.00 -0.07 7.52 5.85 -1.55 0.26 115.31 127.33 1kld h LEU 62 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1kld h LEU 62 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1kld h LEU 62 CO 0.00 0.00 -0.28 0.00 -0.34 0.00 0.00 178.44 177.82 1kld h ALA 63 N 1.14 -0.34 -0.01 1.25 0.00 -1.49 -1.07 119.26 118.73 1kld h ALA 63 Ca 0.65 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.43 1kld h ALA 63 Cb 2.80 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 21.09 1kld h ALA 63 CO -0.01 -0.77 -0.69 -0.07 0.00 0.00 0.00 179.25 177.72 1kld h LEU 64 N -0.39 0.07 -1.62 0.00 3.38 -0.53 -1.90 115.31 114.31 1kld h LEU 64 Ca 0.08 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.19 1kld h LEU 64 Cb 0.51 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1kld h LEU 64 CO -0.29 0.73 0.55 0.22 0.09 0.00 0.00 178.44 179.75 1kld h TYR 65 N 0.04 0.42 0.02 1.13 5.03 -0.26 0.28 116.97 123.63 1kld h TYR 65 Ca -0.01 0.01 -0.28 0.00 2.58 0.00 0.00 58.73 61.03 1kld h TYR 65 Cb 1.22 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.33 1kld h TYR 65 CO 0.01 0.13 -1.53 -1.71 -1.32 0.00 0.00 178.16 173.74 1kld n ASN 66 N -4.46 1.91 0.12 -2.11 5.15 -0.62 -3.01 115.26 112.23 1kld n ASN 66 Ca 0.17 0.38 0.07 0.00 -0.60 0.00 0.00 54.58 54.59 1kld n ASN 66 Cb 0.66 -0.93 0.36 0.00 -0.53 0.00 0.00 39.78 39.34 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 -4.28 0.09 -0.12 1.20 1.13 -0.73 -1.65 117.38 113.01 1kld n GLN 67 Ca -0.35 0.56 -0.20 0.00 -1.94 0.00 0.00 57.00 55.07 1kld n GLN 67 Cb 0.76 -1.89 -0.12 0.00 0.11 0.00 0.00 30.24 29.10 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 -1.97 0.09 -3.33 1.08 8.25 0.95 -4.87 115.22 115.43 1kld n HIS 68 Ca -0.01 0.02 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1kld n HIS 68 Cb 0.12 -1.01 -0.09 0.00 1.12 0.00 0.00 29.99 30.14 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 -6.70 6.29 -0.08 0.41 -0.87 -0.66 -5.04 114.94 108.28 1kld s ASN 69 Ca -0.35 0.18 -0.30 0.00 -1.57 0.00 0.00 52.86 50.83 1kld s ASN 69 Cb 0.10 -2.23 -0.02 0.00 -0.02 0.00 0.00 41.25 39.07 1kld s ASN 69 CO 0.59 -0.29 1.08 -2.16 -2.57 0.00 0.00 177.10 173.75 1kld s PRO 70 N 2.18 4.40 0.00 -0.60 0.04 -1.26 -3.08 135.00 136.68 1kld s PRO 70 Ca 0.16 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1kld s PRO 70 Cb -0.16 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1kld s PRO 70 CO 0.11 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1kld n GLY 71 N 3.18 0.61 3.64 0.56 0.00 -1.26 -5.04 105.19 106.88 1kld n GLY 71 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.22 3.60 -0.30 4.61 0.00 -1.18 -4.92 121.76 121.35 1kld s ALA 72 Ca 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 51.96 51.70 1kld s ALA 72 Cb 0.00 -3.04 0.76 0.00 0.00 0.00 0.00 23.12 20.85 1kld s ALA 72 CO 0.00 -0.76 1.73 0.43 0.00 0.00 0.00 175.76 177.16 1kld n SER 73 N 5.57 5.23 -0.95 0.00 7.64 -1.26 -4.30 113.62 125.55 1kld n SER 73 Ca -0.00 -3.01 0.05 0.00 1.01 0.00 0.00 58.87 56.92 1kld n SER 73 Cb 0.49 -0.71 0.19 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.30 2.81 -0.75 -0.43 0.00 -1.26 -4.92 120.51 116.27 1kld n ALA 74 Ca 0.32 -0.82 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 1kld n ALA 74 Cb 1.24 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 19.76 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 0.48 -1.49 -1.00 0.00 0.00 -1.26 -4.91 120.51 112.32 1kld n ALA 75 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1kld n ALA 75 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.93 0.71 -3.42 0.00 -0.04 -1.26 -5.00 135.00 124.06 1kld n PRO 76 Ca 0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 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 -1.09 0.06 -0.84 0.00 -7.23 -0.91 -4.69 120.40 105.71 1kld s VAL 79 Ca 0.57 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.83 1kld s VAL 79 Cb -0.62 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1kld s VAL 79 CO 0.61 -0.28 1.53 -2.16 -0.31 0.00 0.00 175.10 174.49 1kld s PRO 80 N -4.03 3.15 0.00 4.82 0.04 -1.26 0.13 135.00 137.85 1kld s PRO 80 Ca 0.23 -0.42 -0.11 0.00 0.04 0.00 0.00 61.00 60.74 1kld s PRO 80 Cb 0.05 -4.75 -0.06 0.00 0.04 0.00 0.00 34.50 29.78 1kld s PRO 80 CO 0.03 -2.44 0.86 0.37 0.04 0.00 0.00 177.00 175.86 1kld h GLN 81 N 10.90 -0.38 -6.52 4.56 5.75 -0.19 -3.44 115.11 125.78 1kld h GLN 81 Ca -0.06 0.03 -0.52 0.00 -0.15 0.00 0.00 58.65 57.95 1kld h GLN 81 Cb 1.05 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1kld h GLN 81 CO 1.31 -0.25 -0.10 0.00 -2.65 0.00 0.00 178.83 177.14 1kld s ALA 82 N -3.81 3.57 0.00 3.38 0.00 -0.70 -4.97 121.76 119.23 1kld s ALA 82 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1kld s ALA 82 Cb 0.01 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1kld s ALA 82 CO 0.17 0.28 0.00 1.28 0.00 0.00 0.00 175.76 177.49 1kld n LEU 83 N -0.77 0.00 -3.74 0.00 4.77 -1.26 -1.86 117.00 114.13 1kld n LEU 83 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1kld n LEU 83 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1kld n LEU 83 CO 0.47 0.00 0.03 -1.61 -1.33 0.00 0.00 177.39 174.96 1kld s GLU 84 N -1.61 0.93 0.00 3.23 0.41 -0.60 -4.56 118.70 116.51 1kld s GLU 84 Ca 0.00 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 1kld s GLU 84 Cb 0.00 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.75 1kld s GLU 84 CO 0.00 -0.33 0.00 -0.35 -0.49 0.00 0.00 175.26 174.09 1kld n PRO 85 N -0.02 0.67 -3.20 0.39 -0.04 -1.26 0.49 135.00 132.04 1kld n PRO 85 Ca -0.16 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1kld n PRO 85 Cb 0.62 0.00 -0.02 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 -1.01 -0.35 1.53 2.96 0.17 -4.30 118.68 117.68 1kld s LEU 86 Ca 0.00 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 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 1.32 -2.16 -1.32 0.00 0.00 176.35 174.00 1kld s PRO 87 N 2.86 3.79 0.00 0.98 0.04 -1.26 0.29 135.00 141.71 1kld s PRO 87 Ca 0.10 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1kld s PRO 87 Cb -0.13 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1kld s PRO 87 CO -0.17 -1.28 0.00 0.44 0.04 0.00 0.00 177.00 176.02 1kld n ILE 88 N 6.54 0.00 -3.20 0.56 -5.35 -0.94 -4.26 119.36 112.71 1kld n ILE 88 Ca 0.15 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.67 1kld n ILE 88 Cb 0.47 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.36 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 0.20 -0.79 0.00 7.28 1.01 0.70 -2.98 120.40 125.82 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 -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 0.00 0.00 0.00 0.00 0.00 175.10 175.10 1kld n TYR 90 N 5.42 -0.06 -4.24 5.22 4.11 -0.61 -1.21 117.16 125.79 1kld n TYR 90 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.69 1kld n TYR 90 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.72 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 -0.86 0.76 -0.45 -3.48 1.51 -1.26 -1.72 117.35 111.86 1kld s TYR 91 Ca 0.00 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.86 1kld s TYR 91 Cb 0.00 -0.47 0.12 0.00 -0.11 0.00 0.00 41.96 41.49 1kld s TYR 91 CO 0.00 -0.02 0.18 0.08 -1.11 0.00 0.00 175.55 174.68 1kld s VAL 92 N -0.55 2.44 0.00 0.71 1.01 -0.63 -4.92 120.40 118.47 1kld s VAL 92 Ca -0.00 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.05 1kld s VAL 92 Cb -0.05 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1kld s VAL 92 CO 0.00 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 174.99 1kld n GLY 93 N 3.56 1.89 0.00 4.51 0.00 -1.26 -2.61 105.19 111.28 1kld n GLY 93 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.70 1.61 5.12 -1.26 -5.07 116.66 113.37 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 30.97 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 4.14 0.34 5.56 1.02 -1.07 -5.07 119.74 124.65 1kld s LYS 95 Ca 0.00 -0.24 -0.26 0.00 0.02 0.00 0.00 55.97 55.49 1kld s LYS 95 Cb 0.00 -3.47 -0.09 0.00 -0.52 0.00 0.00 37.83 33.74 1kld s LYS 95 CO 0.00 0.19 1.01 -1.25 -0.92 0.00 0.00 175.35 174.38 1kld s PRO 96 N 0.68 4.45 -0.08 -1.68 0.04 -1.26 -1.61 135.00 135.53 1kld s PRO 96 Ca 0.08 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 1kld s PRO 96 Cb -0.12 -2.78 0.05 0.00 0.04 0.00 0.00 34.50 31.68 1kld s PRO 96 CO 0.01 0.12 0.16 0.15 0.04 0.00 0.00 177.00 177.48 1kld s LYS 97 N -2.09 0.06 -0.11 4.56 1.02 -0.70 -4.95 119.74 117.54 1kld s LYS 97 Ca 0.52 0.52 -0.10 0.00 0.02 0.00 0.00 55.97 56.92 1kld s LYS 97 Cb -0.22 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 36.81 1kld s LYS 97 CO 0.28 -0.26 0.22 0.08 -0.92 0.00 0.00 175.35 174.75 1kld s VAL 98 N 1.95 5.36 0.00 3.17 1.01 -1.26 -1.57 120.40 129.06 1kld s VAL 98 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1kld s VAL 98 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1kld s VAL 98 CO -0.06 0.54 0.00 1.21 0.00 0.00 0.00 175.10 176.79 1kld n GLU 99 N 2.47 1.04 -3.16 2.72 2.13 -1.16 -4.97 120.64 119.72 1kld n GLU 99 Ca -0.17 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.50 1kld n GLU 99 Cb 0.53 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.19 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 1.11 0.90 0.42 5.31 -0.21 -1.25 -2.22 119.66 123.73 1kld s GLN 100 Ca 0.00 -1.39 -0.22 0.00 0.02 0.00 0.00 55.36 53.77 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 -1.32 0.40 1.28 -2.12 0.00 0.00 175.29 173.53 1kld n LEU 101 N 3.26 -0.88 -4.85 2.90 4.77 0.15 -4.24 117.00 118.11 1kld n LEU 101 Ca 0.21 0.87 -0.36 0.00 -0.03 0.00 0.00 56.01 56.70 1kld n LEU 101 Cb 0.50 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 1kld n LEU 101 CO 0.04 -3.31 -0.19 -0.44 -1.33 0.00 0.00 177.39 172.16 1kld s SER 102 N -0.98 6.16 -1.29 -1.43 0.01 -1.26 0.43 113.70 115.33 1kld s SER 102 Ca 0.62 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 58.21 1kld s SER 102 Cb -0.61 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1kld s SER 102 CO 0.59 0.36 0.28 0.59 0.41 0.00 0.00 173.24 175.48 1kld n ASN 103 N 1.72 -4.45 -1.17 2.44 4.13 -0.97 -4.80 115.26 112.17 1kld n ASN 103 Ca -0.17 -0.11 0.07 0.00 1.68 0.00 0.00 54.58 56.05 1kld n ASN 103 Cb 0.54 -3.69 0.25 0.00 -1.54 0.00 0.00 39.78 35.34 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 -3.37 2.81 -4.03 3.52 1.56 0.18 -4.70 117.12 113.09 1kld n MET 104 Ca -0.11 -2.02 -0.10 0.00 -0.27 0.00 0.00 57.70 55.21 1kld n MET 104 Cb 0.60 -1.65 -0.08 0.00 2.15 0.00 0.00 33.22 34.24 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 -1.66 0.05 -0.08 1.12 1.01 -0.11 -4.77 121.20 116.75 1kld s ILE 105 Ca 0.36 -1.57 0.01 0.00 0.00 0.00 0.00 60.65 59.46 1kld s ILE 105 Cb 0.23 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1kld s ILE 105 CO 0.19 -0.23 -0.11 -0.69 0.00 0.00 0.00 174.94 174.10 1kld s VAL 106 N -4.02 3.32 0.00 2.92 1.01 -1.07 -1.56 120.40 121.00 1kld s VAL 106 Ca 0.23 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1kld s VAL 106 Cb 0.04 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1kld s VAL 106 CO 0.04 0.57 0.15 -1.14 0.00 0.00 0.00 175.10 174.71 1kld n ARG 107 N 2.63 2.86 -3.55 2.72 0.63 -0.78 -4.81 116.66 116.36 1kld n ARG 107 Ca -0.18 -0.15 0.03 0.00 -0.92 0.00 0.00 57.85 56.64 1kld n ARG 107 Cb 0.53 -0.57 -0.06 0.00 0.45 0.00 0.00 32.46 32.81 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 -0.45 -0.05 0.18 6.15 1.04 -1.21 -4.43 113.70 114.93 1kld s SER 108 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1kld s SER 108 Cb 0.00 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.15 1kld s SER 108 CO 0.00 -0.01 0.00 0.00 0.98 0.00 0.00 173.24 174.21 1kld n LYS 110 N -0.68 0.00 -3.30 0.00 4.81 0.34 -4.23 118.16 115.10 1kld n LYS 110 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1kld n LYS 110 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57