#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 7.53 -4.90 0.00 4.77 -1.26 -4.65 117.00 118.49 1kld n LEU 2 Ca 0.00 -5.09 -0.24 0.00 -0.03 0.00 0.00 56.01 50.65 1kld n LEU 2 Cb 0.00 -1.29 -0.01 0.00 -2.33 0.00 0.00 43.42 39.79 1kld n LEU 2 CO 0.00 1.97 0.06 1.51 -1.33 0.00 0.00 177.39 179.59 1kld s ASP 3 N -0.43 4.77 0.00 -1.43 -4.77 -1.26 -3.03 116.67 110.51 1kld s ASP 3 Ca 0.45 -1.07 0.21 0.00 -3.30 0.00 0.00 52.55 48.84 1kld s ASP 3 Cb 0.17 0.11 1.19 0.00 -1.09 0.00 0.00 42.92 43.29 1kld s ASP 3 CO -0.08 -0.98 1.65 0.35 0.70 0.00 0.00 175.17 176.80 1kld n THR 4 N -1.73 0.13 -0.09 2.11 -2.24 -1.26 -1.12 114.28 110.09 1kld n THR 4 Ca 0.01 0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 1kld n THR 4 Cb 0.63 -0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 68.07 1kld n THR 4 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1kld h ASN 5 N 0.00 0.00 1.48 3.42 -0.26 -1.91 -3.29 115.58 115.02 1kld h ASN 5 Ca 0.00 -0.47 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1kld h ASN 5 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1kld h ASN 5 CO 0.00 1.20 -0.44 0.22 -1.06 0.00 0.00 177.43 177.35 1kld h TYR 6 N -1.00 0.00 0.00 1.19 3.20 -1.82 -3.22 116.97 115.32 1kld h TYR 6 Ca -0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1kld h TYR 6 Cb 1.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1kld h TYR 6 CO 0.07 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.59 1kld n PHE 8 N -1.61 1.32 -0.50 0.00 3.01 -1.22 -4.66 117.46 113.81 1kld n PHE 8 Ca 0.06 -1.63 0.00 0.00 1.01 0.00 0.00 57.45 56.89 1kld n PHE 8 Cb 0.34 -0.80 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 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 0.32 0.00 0.00 4.37 2.88 -1.23 -5.05 113.62 114.92 1kld n SER 9 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1kld n SER 9 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1kld n SER 9 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1kld n SER 10 N 0.00 0.46 0.00 -3.46 7.64 -1.26 -5.08 113.62 111.92 1kld n SER 10 Ca 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1kld n SER 10 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1kld n SER 10 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1kld n THR 11 N -0.04 0.00 -1.82 0.44 5.66 -1.26 -5.10 114.28 112.15 1kld n THR 11 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kld n THR 11 Cb 0.21 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 1kld n THR 11 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1kld n GLU 12 N 0.00 -5.02 -2.19 1.09 0.28 -1.26 -4.93 120.64 108.61 1kld n GLU 12 Ca 0.00 3.68 -0.02 0.00 -0.16 0.00 0.00 57.16 60.66 1kld n GLU 12 Cb 0.00 -4.12 0.05 0.00 1.43 0.00 0.00 31.44 28.80 1kld n GLU 12 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1kld n LYS 13 N -0.19 1.53 -2.46 3.44 5.02 -1.26 -5.05 118.16 119.19 1kld n LYS 13 Ca 0.00 -3.19 -0.10 0.00 -2.02 0.00 0.00 58.31 53.00 1kld n LYS 13 Cb 0.00 -1.28 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kld n ASN 14 N -0.36 1.76 -4.51 4.39 3.02 -1.26 -4.08 115.26 114.22 1kld n ASN 14 Ca 0.13 -1.75 -0.16 0.00 -0.03 0.00 0.00 54.58 52.77 1kld n ASN 14 Cb 0.91 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.94 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kld s VAL 17 N 1.28 3.37 0.22 0.00 0.11 -1.26 -3.25 120.40 120.86 1kld s VAL 17 Ca -0.06 0.39 -0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1kld s VAL 17 Cb -0.14 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1kld s VAL 17 CO -0.02 -0.25 0.40 -0.13 -3.33 0.00 0.00 175.10 171.78 1kld s ARG 18 N 5.55 3.51 0.55 1.54 0.52 -0.86 -4.46 118.95 125.30 1kld s ARG 18 Ca 0.84 -0.38 -0.21 0.00 -0.52 0.00 0.00 55.73 55.47 1kld s ARG 18 Cb -0.27 -2.82 -0.06 0.00 0.52 0.00 0.00 34.95 32.32 1kld s ARG 18 CO 0.34 0.38 1.14 0.00 0.02 0.00 0.00 175.30 177.18 1kld n GLN 19 N -0.85 1.30 -2.72 3.54 10.64 -1.26 -2.92 117.38 125.12 1kld n GLN 19 Ca -0.05 0.48 -0.04 0.00 -1.83 0.00 0.00 57.00 55.56 1kld n GLN 19 Cb 0.54 -2.33 0.09 0.00 -0.86 0.00 0.00 30.24 27.69 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 -0.71 -0.39 -4.55 2.61 7.94 -1.26 -4.78 117.00 115.85 1kld n LEU 20 Ca 0.12 -3.32 -0.51 0.00 -1.11 0.00 0.00 56.01 51.19 1kld n LEU 20 Cb 0.45 0.22 -0.05 0.00 0.53 0.00 0.00 43.42 44.57 1kld n LEU 20 CO 0.52 1.58 0.67 0.00 -1.11 0.00 0.00 177.39 179.05 1kld n TYR 21 N -0.85 1.09 -4.03 1.96 4.19 -1.26 -3.53 117.16 114.73 1kld n TYR 21 Ca -0.04 0.75 -0.31 0.00 3.31 0.00 0.00 57.90 61.61 1kld n TYR 21 Cb 0.84 -2.23 -0.16 0.00 0.49 0.00 0.00 39.34 38.28 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 -0.12 1.71 -0.93 2.97 1.01 -0.53 -4.86 121.20 120.44 1kld s ILE 22 Ca 0.77 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 1kld s ILE 22 Cb -0.94 -1.68 0.07 0.00 0.01 0.00 0.00 42.46 39.92 1kld s ILE 22 CO 0.52 0.31 1.30 -0.62 0.00 0.00 0.00 174.94 176.46 1kld s ASP 23 N 1.40 6.47 0.00 3.58 2.15 -1.26 -2.37 116.67 126.64 1kld s ASP 23 Ca 0.01 -1.47 0.00 0.00 0.43 0.00 0.00 52.55 51.52 1kld s ASP 23 Cb -0.15 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1kld s ASP 23 CO -0.10 -1.41 0.00 0.49 -0.17 0.00 0.00 175.17 173.98 1kld n PHE 24 N 8.18 0.00 0.07 -5.34 3.72 -0.04 0.22 117.46 124.27 1kld n PHE 24 Ca 0.24 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.42 1kld n PHE 24 Cb 0.50 -0.27 -0.15 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.37 -0.18 -1.08 2.43 -1.76 1.35 114.38 115.51 1kld h ARG 25 Ca 0.00 -0.64 -0.01 0.00 -0.81 0.00 0.00 59.98 58.52 1kld h ARG 25 Cb 0.00 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1kld h ARG 25 CO 0.00 1.31 0.07 -0.22 -1.51 0.00 0.00 179.97 179.62 1kld h LYS 26 N -0.15 0.27 0.00 0.20 3.11 0.24 -1.34 116.57 118.89 1kld h LYS 26 Ca -0.23 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1kld h LYS 26 Cb 1.87 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 33.06 1kld h LYS 26 CO 0.18 0.33 -0.28 -0.44 -2.81 0.00 0.00 179.45 176.43 1kld h ASP 27 N 0.14 0.00 0.70 4.20 3.32 -1.33 -3.41 116.42 120.05 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 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1kld h ASP 27 CO -0.01 0.45 -0.51 0.18 -1.72 0.00 0.00 179.24 177.63 1kld n LEU 28 N -3.73 0.55 -0.47 1.55 4.77 -1.00 -4.90 117.00 113.76 1kld n LEU 28 Ca -0.04 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 1kld n LEU 28 Cb 0.14 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1kld n LEU 28 CO 0.06 0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 176.70 1kld n GLY 29 N 1.43 0.64 3.60 -0.72 0.00 0.44 -4.85 105.19 105.72 1kld n GLY 29 Ca 0.05 -0.04 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.23 1.35 0.51 1.61 7.02 0.38 -4.75 117.44 121.33 1kld n TRP 30 Ca -0.06 0.81 0.06 0.00 -1.02 0.00 0.00 57.50 57.29 1kld n TRP 30 Cb 0.50 -2.26 -0.08 0.00 -2.42 0.00 0.00 31.31 27.05 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 2.82 2.43 0.00 -0.99 5.02 -1.26 -4.36 118.16 121.82 1kld n LYS 31 Ca 0.22 -0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.63 1kld n LYS 31 Cb 0.12 -1.13 0.65 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.40 0.00 -4.79 2.13 4.27 -1.26 -4.76 117.44 111.63 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 0.22 -0.07 -0.17 0.00 -1.36 0.00 0.00 31.31 29.93 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 -2.19 1.63 -0.22 -1.67 1.01 -1.26 -4.08 121.20 114.42 1kld s ILE 33 Ca 0.37 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1kld s ILE 33 Cb 0.21 -1.45 -0.18 0.00 0.01 0.00 0.00 42.46 41.05 1kld s ILE 33 CO 0.40 0.47 -0.00 1.57 0.00 0.00 0.00 174.94 177.38 1kld n HIS 34 N 3.82 0.59 -4.13 3.97 -0.00 -0.42 -4.94 115.22 114.12 1kld n HIS 34 Ca -0.20 0.20 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 1kld n HIS 34 Cb 0.52 -1.07 -0.11 0.00 -0.00 0.00 0.00 29.99 29.33 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 0.72 0.84 1.57 2.02 -0.95 -4.24 118.70 116.19 1kld s GLU 35 Ca -0.32 -1.01 -0.12 0.00 0.02 0.00 0.00 54.97 53.55 1kld s GLU 35 Cb 0.09 -0.43 0.10 0.00 0.10 0.00 0.00 34.13 33.99 1kld s GLU 35 CO 0.60 0.07 1.16 -1.25 0.02 0.00 0.00 175.26 175.85 1kld s PRO 36 N -2.35 1.72 0.34 0.39 0.04 -1.26 -0.16 135.00 133.72 1kld s PRO 36 Ca -0.00 0.20 0.07 0.00 0.04 0.00 0.00 61.00 61.31 1kld s PRO 36 Cb -0.05 -1.91 0.75 0.00 0.04 0.00 0.00 34.50 33.32 1kld s PRO 36 CO -0.00 -1.78 1.87 0.87 0.04 0.00 0.00 177.00 178.00 1kld h LYS 37 N -1.19 0.75 0.00 4.56 1.57 -1.97 -3.44 116.57 116.85 1kld h LYS 37 Ca -0.48 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1kld h LYS 37 Cb 1.33 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1kld h LYS 37 CO 0.64 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 1kld n GLY 38 N -1.41 3.28 0.00 3.86 0.00 -1.26 -0.86 105.19 108.79 1kld n GLY 38 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.06 1.61 4.11 -1.00 -4.85 117.16 113.97 1kld n TYR 39 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.46 1kld n TYR 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1kld n TYR 39 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1kld n HIS 40 N -0.04 4.99 -0.12 -3.48 8.25 -1.26 -1.46 115.22 122.11 1kld n HIS 40 Ca 0.00 -3.52 -0.04 0.00 -0.26 0.00 0.00 57.72 53.91 1kld n HIS 40 Cb 0.00 -2.02 0.17 0.00 1.12 0.00 0.00 29.99 29.26 1kld n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kld h ALA 41 N 6.91 1.15 -3.23 -1.41 0.00 -1.85 -3.39 119.26 117.43 1kld h ALA 41 Ca 0.28 -0.24 0.37 0.00 0.00 0.00 0.00 54.91 55.32 1kld h ALA 41 Cb 0.86 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 1kld h ALA 41 CO 1.19 0.56 -0.76 0.09 0.00 0.00 0.00 179.25 180.32 1kld n ASN 42 N -4.24 -8.43 0.00 0.00 3.02 -1.23 -2.13 115.26 102.25 1kld n ASN 42 Ca 0.03 0.86 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1kld n ASN 42 Cb 0.27 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 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 -4.23 0.00 -4.16 3.10 -1.74 -1.15 -4.69 117.46 104.59 1kld n PHE 43 Ca -0.02 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.72 1kld n PHE 43 Cb 0.65 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.54 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 0.78 0.00 -1.60 0.00 4.77 -1.20 -4.90 117.00 114.85 1kld n LEU 45 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1kld n LEU 45 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1kld n LEU 45 CO 0.25 0.00 -0.48 0.61 -1.33 0.00 0.00 177.39 176.44 1kld n GLY 46 N 0.00 -4.29 0.00 -0.72 0.00 -1.26 -3.23 105.19 95.69 1kld n GLY 46 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.06 1.14 -3.62 1.61 -0.04 -1.26 -3.75 135.00 127.03 1kld n PRO 47 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1kld n PRO 47 Cb 0.33 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.62 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 5.24 1.21 -0.73 0.00 -0.04 -1.26 -4.52 135.00 134.89 1kld n PRO 49 Ca -0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1kld n PRO 49 Cb 0.47 0.00 0.37 0.00 -0.04 0.00 0.00 33.50 34.31 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 -0.21 1.72 0.00 0.54 4.11 -1.26 -4.43 117.16 117.63 1kld n TYR 50 Ca 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 57.90 57.22 1kld n TYR 50 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 39.34 38.97 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 0.78 0.00 -0.68 -3.48 -5.35 -1.26 -4.99 119.36 104.38 1kld n ILE 51 Ca 0.26 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.43 1kld n ILE 51 Cb 1.03 -0.15 0.16 0.00 -1.74 0.00 0.00 39.64 38.94 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 -1.22 -1.54 -1.52 4.28 -0.00 -1.26 -4.48 117.44 111.69 1kld n TRP 52 Ca 0.00 0.17 -0.16 0.00 -0.00 0.00 0.00 57.50 57.51 1kld n TRP 52 Cb 0.10 -1.51 -0.13 0.00 -0.00 0.00 0.00 31.31 29.77 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 -1.11 0.49 -4.70 5.87 2.88 -1.26 -4.86 113.62 110.93 1kld n SER 53 Ca 0.01 -1.22 -0.36 0.00 -1.33 0.00 0.00 58.87 55.97 1kld n SER 53 Cb 0.60 -1.23 -0.08 0.00 -0.75 0.00 0.00 64.21 62.75 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 9.31 4.18 -0.25 2.46 1.43 -1.26 -4.28 118.68 130.26 1kld s LEU 54 Ca 1.03 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1kld s LEU 54 Cb -0.37 -2.23 -0.15 0.00 0.03 0.00 0.00 46.19 43.46 1kld s LEU 54 CO 0.26 0.09 -0.25 0.47 0.23 0.00 0.00 176.35 177.15 1kld n ASP 55 N 3.89 2.02 -4.94 2.29 9.92 -1.26 -4.98 116.55 123.50 1kld n ASP 55 Ca -0.13 -0.03 -0.25 0.00 -0.53 0.00 0.00 54.79 53.84 1kld n ASP 55 Cb 0.52 -0.48 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1kld s THR 56 N -2.50 5.13 0.13 -3.53 -4.23 -1.26 -5.00 115.64 104.38 1kld s THR 56 Ca -0.34 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1kld s THR 56 Cb 0.10 -3.82 -0.19 0.00 1.34 0.00 0.00 72.50 69.93 1kld s THR 56 CO 0.55 -0.43 1.30 -0.61 -0.54 0.00 0.00 174.62 174.89 1kld h GLN 57 N 1.17 0.23 0.00 3.99 4.15 -1.96 -2.93 115.11 119.75 1kld h GLN 57 Ca -0.49 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 58.63 1kld h GLN 57 Cb 1.21 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1kld h GLN 57 CO 0.63 1.05 0.00 0.98 -1.93 0.00 0.00 178.83 179.56 1kld n TYR 58 N -3.61 0.00 0.08 3.99 9.36 -1.26 -2.11 117.16 123.61 1kld n TYR 58 Ca -0.05 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.09 1kld n TYR 58 Cb 0.88 -0.42 -0.05 0.00 -0.63 0.00 0.00 39.34 39.11 1kld n TYR 58 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1kld h SER 59 N 0.00 0.11 0.88 2.98 4.64 -1.85 -2.60 113.55 117.71 1kld h SER 59 Ca 0.00 -0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 60.98 1kld h SER 59 Cb 0.17 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1kld h SER 59 CO 0.00 0.99 -1.15 0.07 -0.87 0.00 0.00 176.83 175.87 1kld h LYS 60 N 0.03 0.03 0.02 4.77 2.10 -1.57 -2.85 116.57 119.09 1kld h LYS 60 Ca -0.03 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1kld h LYS 60 Cb 1.64 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1kld h LYS 60 CO 0.13 0.94 -0.01 0.28 -2.00 0.00 0.00 179.45 178.79 1kld h VAL 61 N 0.01 0.00 -0.33 0.07 2.07 -1.58 -3.14 116.25 113.34 1kld h VAL 61 Ca -0.07 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1kld h VAL 61 Cb 1.83 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1kld h VAL 61 CO 0.13 0.00 0.56 0.25 0.02 0.00 0.00 177.57 178.53 1kld h LEU 62 N -0.06 0.00 -0.08 2.57 5.85 -1.65 0.22 115.31 122.16 1kld h LEU 62 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1kld h LEU 62 Cb 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1kld h LEU 62 CO 0.00 0.00 0.05 0.00 -0.34 0.00 0.00 178.44 178.15 1kld h ALA 63 N 1.19 0.10 -0.20 1.25 0.00 -1.49 -2.41 119.26 117.69 1kld h ALA 63 Ca 0.16 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1kld h ALA 63 Cb 1.28 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1kld h ALA 63 CO -0.00 -0.41 -0.71 -0.07 0.00 0.00 0.00 179.25 178.06 1kld h LEU 64 N 0.10 0.96 -1.32 0.00 3.38 -0.55 -1.85 115.31 116.03 1kld h LEU 64 Ca 0.03 -0.60 0.34 0.00 0.09 0.00 0.00 57.88 57.74 1kld h LEU 64 Cb -0.00 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 40.35 1kld h LEU 64 CO -0.02 1.40 0.72 0.22 0.09 0.00 0.00 178.44 180.85 1kld h TYR 65 N 0.58 0.66 0.02 1.13 3.20 -1.03 0.20 116.97 121.73 1kld h TYR 65 Ca -0.03 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1kld h TYR 65 Cb 1.33 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1kld h TYR 65 CO 0.08 -0.08 -1.07 -0.97 -1.64 0.00 0.00 178.16 174.49 1kld h ASN 66 N 0.27 0.05 0.00 -2.11 -0.00 -1.34 -3.20 115.58 109.25 1kld h ASN 66 Ca 0.70 -0.65 0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1kld h ASN 66 Cb 1.92 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 40.23 1kld h ASN 66 CO -0.40 1.43 0.26 1.56 -0.00 0.00 0.00 177.43 180.29 1kld h GLN 67 N -0.89 0.00 0.08 6.67 1.08 -0.32 0.43 115.11 122.16 1kld h GLN 67 Ca -0.28 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.55 1kld h GLN 67 Cb 1.32 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.72 1kld h GLN 67 CO -0.13 0.00 -2.13 0.72 -0.95 0.00 0.00 178.83 176.33 1kld n HIS 68 N -2.13 0.83 -3.41 2.96 8.25 0.58 -4.81 115.22 117.49 1kld n HIS 68 Ca -0.01 0.18 -0.40 0.00 -0.26 0.00 0.00 57.72 57.23 1kld n HIS 68 Cb 0.29 -1.11 -0.09 0.00 1.12 0.00 0.00 29.99 30.20 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 -6.88 6.18 -0.76 0.41 0.01 0.14 -5.02 114.94 109.03 1kld s ASN 69 Ca -0.27 -0.13 -0.26 0.00 -0.71 0.00 0.00 52.86 51.48 1kld s ASN 69 Cb 0.08 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.56 1kld s ASN 69 CO 0.70 -0.29 1.43 -2.16 -1.51 0.00 0.00 177.10 175.27 1kld s PRO 70 N 2.01 3.11 0.00 -0.60 0.04 -1.26 -3.22 135.00 135.08 1kld s PRO 70 Ca 0.12 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1kld s PRO 70 Cb -0.16 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 29.98 1kld s PRO 70 CO 0.11 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.25 1kld n GLY 71 N 5.68 1.98 3.49 0.56 0.00 -1.26 -5.12 105.19 110.53 1kld n GLY 71 Ca 0.11 0.00 -0.35 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 -1.98 3.12 -2.04 4.61 0.00 -1.20 -4.96 121.76 119.31 1kld s ALA 72 Ca 0.00 -0.94 0.15 0.00 0.00 0.00 0.00 51.96 51.17 1kld s ALA 72 Cb 0.00 -1.82 0.44 0.00 0.00 0.00 0.00 23.12 21.74 1kld s ALA 72 CO 0.00 -0.09 1.36 0.45 0.00 0.00 0.00 175.76 177.48 1kld n SER 73 N 4.12 2.49 -0.17 0.00 2.88 -1.26 -4.02 113.62 117.66 1kld n SER 73 Ca -0.17 -1.98 0.04 0.00 -1.33 0.00 0.00 58.87 55.43 1kld n SER 73 Cb 0.52 -0.30 0.19 0.00 -0.75 0.00 0.00 64.21 63.87 1kld n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kld n ALA 74 N 0.86 2.52 -0.59 -1.46 0.00 -1.26 -4.88 120.51 115.69 1kld n ALA 74 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 1kld n ALA 74 Cb 0.40 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.29 -2.23 -1.05 0.00 0.00 -1.26 -4.90 120.51 110.78 1kld n ALA 75 Ca 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 1kld n ALA 75 Cb 0.10 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.75 -0.48 -3.39 0.00 -0.04 -1.26 -5.00 135.00 123.07 1kld n PRO 76 Ca 0.06 -0.16 -0.19 0.00 -0.04 0.00 0.00 63.50 63.16 1kld n PRO 76 Cb 0.25 -0.12 -0.09 0.00 -0.04 0.00 0.00 33.50 33.50 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 -0.83 0.07 -0.87 0.00 -7.23 -0.15 -4.79 120.40 106.60 1kld s VAL 79 Ca 0.56 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.74 1kld s VAL 79 Cb -0.50 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.39 1kld s VAL 79 CO 0.60 -0.31 1.56 -2.16 -0.31 0.00 0.00 175.10 174.48 1kld s PRO 80 N -4.04 3.15 0.00 4.82 0.04 -1.26 0.58 135.00 138.28 1kld s PRO 80 Ca 0.25 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1kld s PRO 80 Cb 0.06 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.74 1kld s PRO 80 CO 0.03 -2.50 0.70 0.94 0.04 0.00 0.00 177.00 176.21 1kld n GLN 81 N 9.05 0.00 -2.40 4.56 7.27 0.18 -4.71 117.38 131.34 1kld n GLN 81 Ca 0.25 0.32 -0.27 0.00 0.07 0.00 0.00 57.00 57.37 1kld n GLN 81 Cb 0.50 -1.20 0.03 0.00 2.41 0.00 0.00 30.24 31.98 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 -2.64 3.31 0.00 1.69 0.00 -1.16 -4.99 121.76 117.97 1kld s ALA 82 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1kld s ALA 82 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1kld s ALA 82 CO 0.00 -0.80 0.00 1.28 0.00 0.00 0.00 175.76 176.24 1kld n LEU 83 N -2.58 0.00 -3.71 0.00 4.77 -1.26 -2.86 117.00 111.36 1kld n LEU 83 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1kld n LEU 83 Cb 0.58 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1kld n LEU 83 CO 0.53 0.00 0.10 -1.61 -1.33 0.00 0.00 177.39 175.07 1kld s GLU 84 N -1.61 0.80 0.00 3.23 8.01 -0.02 -4.64 118.70 124.47 1kld s GLU 84 Ca 0.00 -0.26 0.00 0.00 0.01 0.00 0.00 54.97 54.72 1kld s GLU 84 Cb 0.00 0.36 0.00 0.00 -4.31 0.00 0.00 34.13 30.18 1kld s GLU 84 CO 0.00 -0.25 0.00 -0.35 0.01 0.00 0.00 175.26 174.67 1kld n PRO 85 N 0.88 0.84 -3.24 0.39 -0.04 -1.25 0.67 135.00 133.24 1kld n PRO 85 Ca -0.20 0.00 0.03 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 -0.95 -0.35 1.53 2.96 0.15 -4.31 118.68 117.72 1kld s LEU 86 Ca 0.00 0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 54.38 1kld s LEU 86 Cb 0.00 1.86 0.00 0.00 0.50 0.00 0.00 46.19 48.56 1kld s LEU 86 CO 0.00 -0.18 1.36 -2.16 -1.32 0.00 0.00 176.35 174.06 1kld s PRO 87 N 2.83 3.75 0.00 0.98 0.04 -1.26 0.18 135.00 141.53 1kld s PRO 87 Ca 0.07 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1kld s PRO 87 Cb -0.12 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1kld s PRO 87 CO -0.17 -1.33 0.00 0.44 0.04 0.00 0.00 177.00 175.98 1kld n ILE 88 N 6.61 0.00 -3.17 0.56 -5.35 -0.65 -4.21 119.36 113.16 1kld n ILE 88 Ca 0.16 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.68 1kld n ILE 88 Cb 0.47 0.00 -0.01 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 0.26 -0.80 0.19 7.28 1.01 0.78 -2.85 120.40 126.26 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 5.43 0.43 -4.65 5.22 4.11 -0.32 -1.30 117.16 126.10 1kld n TYR 90 Ca -0.03 -0.93 -0.29 0.00 -0.00 0.00 0.00 57.90 56.65 1kld n TYR 90 Cb 0.52 -0.12 -0.17 0.00 -0.00 0.00 0.00 39.34 39.57 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 -1.69 2.02 -0.71 -3.48 2.02 -1.26 -1.56 117.35 112.69 1kld s TYR 91 Ca 0.00 -0.89 -0.11 0.00 -0.37 0.00 0.00 57.07 55.70 1kld s TYR 91 Cb 0.00 -1.43 0.19 0.00 -0.40 0.00 0.00 41.96 40.32 1kld s TYR 91 CO 0.00 -0.43 0.62 0.08 -1.57 0.00 0.00 175.55 174.25 1kld s VAL 92 N 0.78 4.97 0.00 0.71 1.01 -0.68 -4.81 120.40 122.38 1kld s VAL 92 Ca -0.11 -2.41 0.00 0.00 0.00 0.00 0.00 61.98 59.46 1kld s VAL 92 Cb -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1kld s VAL 92 CO 0.02 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.78 1kld n GLY 93 N 4.09 2.22 0.00 4.51 0.00 -1.26 -2.93 105.19 111.82 1kld n GLY 93 Ca 0.07 0.06 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 -3.89 1.61 1.74 -1.26 -5.08 116.66 109.78 1kld n ARG 94 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1kld n ARG 94 Cb 0.00 -0.25 -0.10 0.00 -1.02 0.00 0.00 32.46 31.09 1kld n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kld s LYS 95 N 0.00 3.98 0.21 5.56 1.02 -1.15 -5.07 119.74 124.29 1kld s LYS 95 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1kld s LYS 95 Cb 0.00 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 33.93 1kld s LYS 95 CO 0.00 0.19 1.02 -1.25 -0.92 0.00 0.00 175.35 174.39 1kld s PRO 96 N 0.62 4.72 0.01 -1.68 0.04 -1.26 -1.69 135.00 135.76 1kld s PRO 96 Ca 0.05 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1kld s PRO 96 Cb -0.13 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1kld s PRO 96 CO 0.01 0.28 0.03 0.15 0.04 0.00 0.00 177.00 177.52 1kld s LYS 97 N -0.81 0.32 -0.09 4.56 -0.14 -0.60 -4.97 119.74 118.01 1kld s LYS 97 Ca 0.45 -0.45 0.02 0.00 -1.36 0.00 0.00 55.97 54.63 1kld s LYS 97 Cb -0.28 0.12 -0.02 0.00 -1.68 0.00 0.00 37.83 35.98 1kld s LYS 97 CO 0.34 -0.06 -0.15 0.08 -0.76 0.00 0.00 175.35 174.80 1kld s VAL 98 N -1.21 2.91 0.00 3.17 1.01 -1.26 -1.17 120.40 123.84 1kld s VAL 98 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1kld s VAL 98 Cb -0.08 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1kld s VAL 98 CO -0.00 0.56 0.00 1.21 0.00 0.00 0.00 175.10 176.87 1kld n GLU 99 N 2.99 1.06 -3.28 2.72 4.07 -1.13 -4.95 120.64 122.10 1kld n GLU 99 Ca -0.18 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.72 1kld n GLU 99 Cb 0.52 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.83 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 0.49 0.81 0.42 5.31 -0.21 -1.25 -1.63 119.66 123.60 1kld s GLN 100 Ca 0.00 -1.49 -0.22 0.00 0.02 0.00 0.00 55.36 53.67 1kld s GLN 100 Cb 0.00 -0.97 -0.14 0.00 1.00 0.00 0.00 33.01 32.90 1kld s GLN 100 CO 0.00 -1.30 0.38 1.28 -2.12 0.00 0.00 175.29 173.53 1kld n LEU 101 N 3.40 -1.02 -4.88 2.90 4.77 0.13 -4.24 117.00 118.07 1kld n LEU 101 Ca 0.20 0.87 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 1kld n LEU 101 Cb 0.47 -1.03 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 1kld n LEU 101 CO 0.07 -3.36 -0.18 -0.44 -1.33 0.00 0.00 177.39 172.15 1kld s SER 102 N -0.98 6.08 -1.00 -1.43 0.01 -1.26 0.33 113.70 115.45 1kld s SER 102 Ca 0.62 0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.95 1kld s SER 102 Cb -0.61 -1.79 0.08 0.00 0.21 0.00 0.00 66.02 63.90 1kld s SER 102 CO 0.60 0.15 0.32 0.59 0.41 0.00 0.00 173.24 175.30 1kld n ASN 103 N 0.19 -2.51 -0.91 2.44 3.02 -1.18 -4.73 115.26 111.57 1kld n ASN 103 Ca -0.06 -0.24 0.09 0.00 -0.03 0.00 0.00 54.58 54.33 1kld n ASN 103 Cb 0.52 -2.16 0.26 0.00 -0.61 0.00 0.00 39.78 37.79 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 -3.34 2.16 -4.07 3.52 0.00 0.20 -4.72 117.12 110.88 1kld n MET 104 Ca 0.01 -1.79 -0.10 0.00 -0.00 0.00 0.00 57.70 55.82 1kld n MET 104 Cb 0.52 -1.42 -0.08 0.00 0.00 0.00 0.00 33.22 32.23 1kld n MET 104 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1kld s ILE 105 N -1.44 0.05 0.06 1.12 1.01 0.21 -4.74 121.20 117.48 1kld s ILE 105 Ca 0.35 -1.66 0.09 0.00 0.00 0.00 0.00 60.65 59.43 1kld s ILE 105 Cb 0.19 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1kld s ILE 105 CO 0.26 -0.21 -0.22 -0.69 0.00 0.00 0.00 174.94 174.08 1kld s VAL 106 N -4.04 2.54 0.00 2.92 1.01 -0.90 -0.84 120.40 121.08 1kld s VAL 106 Ca 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1kld s VAL 106 Cb 0.04 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1kld s VAL 106 CO 0.05 0.28 0.00 -1.14 0.00 0.00 0.00 175.10 174.29 1kld n ARG 107 N 1.43 1.67 -3.64 2.72 0.63 -1.13 -4.80 116.66 113.53 1kld n ARG 107 Ca -0.17 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.70 1kld n ARG 107 Cb 0.52 -0.86 -0.07 0.00 0.45 0.00 0.00 32.46 32.50 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 -1.49 -0.50 0.16 6.15 1.04 -1.26 -4.03 113.70 113.77 1kld s SER 108 Ca 0.00 0.88 0.02 0.00 0.48 0.00 0.00 55.95 57.34 1kld s SER 108 Cb 0.00 1.03 0.02 0.00 0.10 0.00 0.00 66.02 67.17 1kld s SER 108 CO 0.00 -0.15 0.20 0.00 0.98 0.00 0.00 173.24 174.27 1kld n LYS 110 N -1.27 0.00 -3.82 0.00 5.02 0.20 -4.47 118.16 113.83 1kld n LYS 110 Ca 0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 1kld n LYS 110 Cb 0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.05 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88