#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 7.44 -4.96 0.00 4.77 -1.26 -4.63 117.00 118.37 1kld n LEU 2 Ca 0.00 -4.95 -0.24 0.00 -0.03 0.00 0.00 56.01 50.79 1kld n LEU 2 Cb 0.00 -1.08 0.02 0.00 -2.33 0.00 0.00 43.42 40.04 1kld n LEU 2 CO 0.00 1.83 0.17 1.51 -1.33 0.00 0.00 177.39 179.56 1kld s ASP 3 N -1.19 4.81 0.00 -1.43 1.47 -1.26 -2.81 116.67 116.27 1kld s ASP 3 Ca 0.49 -1.09 0.17 0.00 1.18 0.00 0.00 52.55 53.30 1kld s ASP 3 Cb 0.39 0.38 1.01 0.00 -0.34 0.00 0.00 42.92 44.35 1kld s ASP 3 CO -0.36 -1.20 1.50 0.35 0.68 0.00 0.00 175.17 176.14 1kld n THR 4 N -1.96 0.00 -0.10 2.11 -2.24 -1.26 -1.09 114.28 109.74 1kld n THR 4 Ca 0.05 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 1kld n THR 4 Cb 0.63 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.93 3.42 4.21 -1.93 -3.31 115.58 118.90 1kld h ASN 5 Ca 0.00 -0.53 0.00 0.00 1.21 0.00 0.00 56.30 56.98 1kld h ASN 5 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1kld h ASN 5 CO 0.00 1.47 -0.81 0.22 -1.29 0.00 0.00 177.43 177.02 1kld h TYR 6 N -1.00 0.00 -0.00 1.19 3.20 -1.81 -3.29 116.97 115.26 1kld h TYR 6 Ca -0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.54 1kld h TYR 6 Cb 1.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1kld h TYR 6 CO 0.10 0.00 -0.02 0.00 -1.64 0.00 0.00 178.16 176.61 1kld n PHE 8 N -1.49 0.64 -0.05 0.00 3.01 -1.24 -4.77 117.46 113.55 1kld n PHE 8 Ca 0.07 -1.49 0.00 0.00 1.01 0.00 0.00 57.45 57.05 1kld n PHE 8 Cb 0.33 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1kld n PHE 8 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1kld n SER 9 N 1.27 0.00 0.00 4.37 3.41 -1.25 -5.09 113.62 116.34 1kld n SER 9 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1kld n SER 9 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1kld n SER 9 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kld n SER 10 N 0.00 0.00 -0.02 4.04 7.64 -1.26 -4.82 113.62 119.20 1kld n SER 10 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1kld n SER 10 Cb 0.00 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 63.70 1kld n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1kld n THR 11 N 0.00 0.00 -4.56 0.44 -1.04 -1.26 -5.02 114.28 102.84 1kld n THR 11 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1kld n THR 11 Cb 0.00 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1kld n THR 11 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1kld n GLU 12 N -1.38 0.00 0.00 -2.82 4.07 -1.26 -4.76 120.64 114.48 1kld n GLU 12 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1kld n GLU 12 Cb 0.32 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.70 1kld n GLU 12 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1kld n LYS 13 N 0.00 0.00 0.00 5.31 4.76 -1.26 -5.14 118.16 121.83 1kld n LYS 13 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1kld n LYS 13 Cb 0.00 -0.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1kld n ASN 14 N -2.30 0.00 -4.68 4.39 3.02 -1.26 -4.84 115.26 109.59 1kld n ASN 14 Ca 0.00 0.00 -0.60 0.00 -0.03 0.00 0.00 54.58 53.95 1kld n ASN 14 Cb 0.13 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.22 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kld n VAL 17 N 5.36 0.00 -3.65 0.00 3.14 -1.26 -3.31 118.33 118.61 1kld n VAL 17 Ca -0.13 -0.27 -0.15 0.00 -2.96 0.00 0.00 64.34 60.84 1kld n VAL 17 Cb 0.50 -0.58 -0.08 0.00 -1.06 0.00 0.00 33.84 32.62 1kld n VAL 17 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1kld s ARG 18 N -3.42 0.79 0.29 1.45 0.52 0.34 -4.72 118.95 114.21 1kld s ARG 18 Ca 0.54 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.75 1kld s ARG 18 Cb -0.10 0.37 -0.12 0.00 0.52 0.00 0.00 34.95 35.62 1kld s ARG 18 CO 0.63 -0.19 1.48 0.00 0.02 0.00 0.00 175.30 177.24 1kld n GLN 19 N 1.69 2.41 -2.69 3.54 10.64 -1.26 -2.49 117.38 129.23 1kld n GLN 19 Ca -0.18 0.85 -0.08 0.00 -1.83 0.00 0.00 57.00 55.77 1kld n GLN 19 Cb 0.56 -2.56 0.09 0.00 -0.86 0.00 0.00 30.24 27.47 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 1.74 -0.68 -4.56 2.61 7.94 -1.26 -4.82 117.00 117.98 1kld n LEU 20 Ca 0.08 -3.55 -0.47 0.00 -1.11 0.00 0.00 56.01 50.96 1kld n LEU 20 Cb 0.35 0.17 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 1kld n LEU 20 CO 0.63 1.77 0.55 0.00 -1.11 0.00 0.00 177.39 179.24 1kld n TYR 21 N -0.40 1.04 -3.91 1.96 4.19 -1.26 -3.17 117.16 115.62 1kld n TYR 21 Ca 0.01 0.73 -0.29 0.00 3.31 0.00 0.00 57.90 61.67 1kld n TYR 21 Cb 0.84 -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 -0.71 1.23 -0.82 2.97 1.01 -0.72 -4.87 121.20 119.29 1kld s ILE 22 Ca 0.65 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 1kld s ILE 22 Cb -0.79 -1.41 0.06 0.00 0.01 0.00 0.00 42.46 40.33 1kld s ILE 22 CO 0.56 0.10 1.22 -0.62 0.00 0.00 0.00 174.94 176.20 1kld s ASP 23 N 1.57 6.33 0.00 3.58 2.15 -1.26 -2.33 116.67 126.71 1kld s ASP 23 Ca -0.00 -1.11 0.00 0.00 0.43 0.00 0.00 52.55 51.86 1kld s ASP 23 Cb -0.16 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1kld s ASP 23 CO -0.08 -1.52 0.00 0.49 -0.17 0.00 0.00 175.17 173.89 1kld n PHE 24 N 8.35 0.00 0.07 -5.34 3.72 -0.67 0.19 117.46 123.78 1kld n PHE 24 Ca 0.12 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.30 1kld n PHE 24 Cb 0.49 -0.31 -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 0.07 -0.05 0.00 0.00 176.76 176.78 1kld h ARG 25 N 0.00 0.39 -0.09 -1.08 0.11 -1.79 1.01 114.38 112.93 1kld h ARG 25 Ca 0.00 -0.66 -0.01 0.00 0.10 0.00 0.00 59.98 59.41 1kld h ARG 25 Cb 0.00 0.25 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1kld h ARG 25 CO 0.00 1.31 0.03 -0.22 0.10 0.00 0.00 179.97 181.19 1kld h LYS 26 N 0.11 0.14 0.00 0.08 3.11 0.17 -1.07 116.57 119.11 1kld h LYS 26 Ca -0.34 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 1kld h LYS 26 Cb 2.10 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 33.31 1kld h LYS 26 CO 0.18 0.29 -0.42 -0.44 -2.81 0.00 0.00 179.45 176.25 1kld h ASP 27 N -0.03 0.00 0.91 4.20 3.32 -1.38 -3.40 116.42 120.03 1kld h ASP 27 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1kld h ASP 27 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1kld h ASP 27 CO -0.00 0.68 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.47 1kld h LEU 28 N -0.94 0.00 0.35 1.55 3.38 -1.63 -3.47 115.31 114.55 1kld h LEU 28 Ca 0.00 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 1kld h LEU 28 Cb 0.42 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1kld h LEU 28 CO 0.00 0.09 -0.14 0.61 0.09 0.00 0.00 178.44 179.09 1kld n GLY 29 N 1.31 0.75 3.63 0.83 0.00 0.33 -4.84 105.19 107.20 1kld n GLY 29 Ca 0.03 -0.05 -0.58 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.25 1.48 0.66 1.61 7.02 0.10 -4.77 117.44 121.29 1kld n TRP 30 Ca -0.07 0.80 0.08 0.00 -1.02 0.00 0.00 57.50 57.29 1kld n TRP 30 Cb 0.51 -2.29 -0.09 0.00 -2.42 0.00 0.00 31.31 27.02 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 3.27 1.61 0.00 -0.99 5.02 -1.26 -4.28 118.16 121.52 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 -1.27 0.60 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.46 0.00 -4.17 2.13 4.27 -1.26 -4.73 117.44 112.22 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 0.27 -0.08 -0.17 0.00 -1.36 0.00 0.00 31.31 29.97 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 -2.25 1.39 -0.16 -1.67 1.01 -1.26 -4.17 121.20 114.08 1kld s ILE 33 Ca 0.34 -0.54 0.15 0.00 0.00 0.00 0.00 60.65 60.60 1kld s ILE 33 Cb 0.21 -1.31 -0.24 0.00 0.01 0.00 0.00 42.46 41.13 1kld s ILE 33 CO 0.42 0.42 0.21 0.00 0.00 0.00 0.00 174.94 175.99 1kld n HIS 34 N 4.56 0.30 -4.07 3.97 1.44 -0.50 -4.92 115.22 116.01 1kld n HIS 34 Ca -0.17 0.10 -0.13 0.00 -2.01 0.00 0.00 57.72 55.51 1kld n HIS 34 Cb 0.51 -1.05 -0.12 0.00 0.12 0.00 0.00 29.99 29.45 1kld n HIS 34 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1kld s GLU 35 N -2.52 0.52 0.62 -1.40 0.41 -0.63 -4.41 118.70 111.29 1kld s GLU 35 Ca -0.11 -0.72 -0.10 0.00 -0.41 0.00 0.00 54.97 53.62 1kld s GLU 35 Cb 0.07 -0.29 0.14 0.00 -1.78 0.00 0.00 34.13 32.27 1kld s GLU 35 CO 0.81 0.05 0.84 -0.35 -0.49 0.00 0.00 175.26 176.12 1kld n PRO 36 N 1.55 -0.80 -0.08 0.39 -0.04 -1.26 -0.08 135.00 134.67 1kld n PRO 36 Ca -0.22 -1.32 0.06 0.00 -0.04 0.00 0.00 63.50 61.98 1kld n PRO 36 Cb 0.55 -0.86 0.41 0.00 -0.04 0.00 0.00 33.50 33.56 1kld n PRO 36 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kld h LYS 37 N 0.00 0.59 0.00 0.54 6.56 -1.98 -3.45 116.57 118.84 1kld h LYS 37 Ca -0.27 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 1kld h LYS 37 Cb 0.76 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1kld h LYS 37 CO 0.19 0.39 0.00 0.41 -2.06 0.00 0.00 179.45 178.39 1kld n GLY 38 N -1.47 1.76 0.00 3.86 0.00 -1.26 -1.67 105.19 106.41 1kld n GLY 38 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.04 1.61 4.11 -0.98 -4.84 117.16 114.02 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 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 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 3.58 0.11 -3.48 3.76 -1.26 -1.75 115.29 114.25 1kld s HIS 40 Ca 0.00 -2.07 -0.14 0.00 -0.15 0.00 0.00 55.06 52.69 1kld s HIS 40 Cb 0.00 -4.18 -0.06 0.00 1.11 0.00 0.00 32.58 29.44 1kld s HIS 40 CO 0.00 -1.30 1.46 0.00 -0.85 0.00 0.00 174.74 174.05 1kld h ALA 41 N 7.46 0.47 -2.35 -1.40 0.00 -1.87 -3.37 119.26 118.19 1kld h ALA 41 Ca 0.24 -0.37 0.25 0.00 0.00 0.00 0.00 54.91 55.04 1kld h ALA 41 Cb 0.92 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1kld h ALA 41 CO 1.14 0.43 -0.34 0.09 0.00 0.00 0.00 179.25 180.57 1kld n ASN 42 N -4.29 -6.36 0.00 0.00 4.13 -1.19 -2.05 115.26 105.49 1kld n ASN 42 Ca -0.03 1.01 0.00 0.00 1.68 0.00 0.00 54.58 57.24 1kld n ASN 42 Cb 0.43 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.84 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 -3.20 0.00 -3.96 3.10 -1.74 -1.04 -4.70 117.46 105.92 1kld n PHE 43 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 1kld n PHE 43 Cb 0.43 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.34 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 -2.91 0.26 0.00 0.00 1.43 -1.21 -4.92 118.68 111.32 1kld s LEU 45 Ca 0.09 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1kld s LEU 45 Cb 0.06 1.78 0.00 0.00 0.03 0.00 0.00 46.19 48.06 1kld s LEU 45 CO -0.08 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1kld n GLY 46 N 1.05 0.09 1.95 -3.19 0.00 -1.26 -3.48 105.19 100.34 1kld n GLY 46 Ca -0.20 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 0.64 -0.70 -3.84 1.61 -0.04 -1.26 -3.54 135.00 127.87 1kld n PRO 47 Ca 0.00 -1.04 -0.12 0.00 -0.04 0.00 0.00 63.50 62.31 1kld n PRO 47 Cb 0.00 -0.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.77 2.35 -2.94 0.00 -0.04 -1.26 -4.66 135.00 130.22 1kld n PRO 49 Ca -0.20 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.98 1kld n PRO 49 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 1kld n PRO 49 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1kld s TYR 50 N 0.14 3.52 0.00 0.54 1.13 -1.26 -3.93 117.35 117.49 1kld s TYR 50 Ca 0.00 0.74 0.00 0.00 -1.41 0.00 0.00 57.07 56.40 1kld s TYR 50 Cb 0.00 -2.22 0.00 0.00 -1.10 0.00 0.00 41.96 38.64 1kld s TYR 50 CO 0.00 -0.09 0.00 0.44 -2.51 0.00 0.00 175.55 173.39 1kld n ILE 51 N -1.74 0.00 -2.14 -3.49 -5.35 -1.26 -4.86 119.36 100.51 1kld n ILE 51 Ca -0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1kld n ILE 51 Cb 0.55 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.40 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 -0.40 2.02 -0.26 4.28 -0.00 -1.25 -4.39 118.94 118.94 1kld s TRP 52 Ca 0.00 0.24 -0.19 0.00 -0.00 0.00 0.00 56.10 56.15 1kld s TRP 52 Cb 0.00 -4.13 0.03 0.00 -0.00 0.00 0.00 33.47 29.37 1kld s TRP 52 CO 0.00 -1.49 0.34 -1.13 -0.00 0.00 0.00 176.95 174.68 1kld n SER 53 N 13.33 -6.32 -4.70 5.86 3.41 -1.26 -4.75 113.62 119.19 1kld n SER 53 Ca 0.43 0.24 -0.36 0.00 -0.26 0.00 0.00 58.87 58.92 1kld n SER 53 Cb 0.47 -2.20 -0.08 0.00 -0.26 0.00 0.00 64.21 62.14 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1kld s LEU 54 N -1.82 4.18 -0.14 1.04 1.43 -1.26 -3.43 118.68 118.68 1kld s LEU 54 Ca 0.19 0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.49 1kld s LEU 54 Cb -0.02 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1kld s LEU 54 CO 0.51 0.07 -0.28 -0.67 0.23 0.00 0.00 176.35 176.21 1kld n ASP 55 N 3.93 1.59 -4.88 2.29 2.03 -1.25 -4.94 116.55 115.33 1kld n ASP 55 Ca -0.13 0.27 -0.33 0.00 0.52 0.00 0.00 54.79 55.12 1kld n ASP 55 Cb 0.52 -0.68 -0.05 0.00 -0.72 0.00 0.00 41.12 40.18 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 -2.56 5.11 0.25 5.18 -4.23 -1.26 -4.98 115.64 113.16 1kld s THR 56 Ca -0.23 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1kld s THR 56 Cb 0.03 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.47 1kld s THR 56 CO 0.34 0.12 1.79 -0.61 -0.54 0.00 0.00 174.62 175.73 1kld h GLN 57 N 3.15 0.69 -0.88 3.99 4.15 -1.96 0.18 115.11 124.44 1kld h GLN 57 Ca -0.47 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 58.96 1kld h GLN 57 Cb 1.18 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.66 1kld h GLN 57 CO 0.70 0.46 0.57 -0.92 -1.93 0.00 0.00 178.83 177.71 1kld h TYR 58 N 0.71 1.03 -0.79 3.99 3.20 -1.97 0.45 116.97 123.59 1kld h TYR 58 Ca 0.43 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.49 1kld h TYR 58 Cb 0.51 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1kld h TYR 58 CO -0.07 0.56 0.53 0.66 -1.64 0.00 0.00 178.16 178.19 1kld h SER 59 N 1.03 0.39 0.06 -2.11 4.64 -0.91 0.20 113.55 116.86 1kld h SER 59 Ca 0.37 0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.49 1kld h SER 59 Cb 0.13 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1kld h SER 59 CO -0.13 0.19 -0.84 0.50 -0.87 0.00 0.00 176.83 175.69 1kld h LYS 60 N 0.41 0.62 0.00 4.77 1.63 -0.80 -2.20 116.57 121.00 1kld h LYS 60 Ca 0.39 -0.55 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1kld h LYS 60 Cb 0.93 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1kld h LYS 60 CO -0.13 1.17 0.00 0.28 -3.45 0.00 0.00 179.45 177.32 1kld n VAL 61 N -3.87 0.00 -0.36 2.00 0.31 0.50 -3.20 118.33 113.71 1kld n VAL 61 Ca -0.07 0.90 0.26 0.00 -0.01 0.00 0.00 64.34 65.42 1kld n VAL 61 Cb 0.77 -1.75 0.52 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.45 -0.24 7.52 5.85 -1.18 -0.90 115.31 126.82 1kld h LEU 62 Ca 0.00 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1kld h LEU 62 Cb 0.00 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1kld h LEU 62 CO 0.00 -0.07 -0.37 0.00 -0.34 0.00 0.00 178.44 177.66 1kld h ALA 63 N 1.73 -0.64 -0.37 1.25 0.00 -1.42 -0.44 119.26 119.37 1kld h ALA 63 Ca 0.71 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.63 1kld h ALA 63 Cb 1.81 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 20.54 1kld h ALA 63 CO -0.48 -0.81 0.22 -0.07 0.00 0.00 0.00 179.25 178.12 1kld h LEU 64 N -0.28 0.36 -1.17 0.00 3.38 -1.17 -1.56 115.31 114.87 1kld h LEU 64 Ca 0.04 0.00 0.44 0.00 0.09 0.00 0.00 57.88 58.45 1kld h LEU 64 Cb 0.40 -0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.92 1kld h LEU 64 CO -0.37 0.26 0.70 0.00 0.09 0.00 0.00 178.44 179.12 1kld n TYR 65 N -4.87 0.91 -0.08 1.13 4.19 -0.32 -0.24 117.16 117.88 1kld n TYR 65 Ca 0.00 0.92 -0.19 0.00 3.31 0.00 0.00 57.90 61.94 1kld n TYR 65 Cb 0.05 -1.34 -0.12 0.00 0.49 0.00 0.00 39.34 38.42 1kld n TYR 65 CO 0.00 0.00 0.00 -0.97 0.91 0.00 0.00 176.86 176.80 1kld h ASN 66 N 0.00 0.04 0.00 2.98 -0.73 -0.36 -3.21 115.58 114.29 1kld h ASN 66 Ca 0.85 -0.70 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1kld h ASN 66 Cb 2.50 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 41.07 1kld h ASN 66 CO -0.60 1.35 0.18 0.00 -0.37 0.00 0.00 177.43 177.98 1kld n GLN 67 N -4.44 0.08 -0.06 6.67 3.00 0.47 -1.12 117.38 121.99 1kld n GLN 67 Ca -0.24 0.53 -0.21 0.00 -0.01 0.00 0.00 57.00 57.06 1kld n GLN 67 Cb 0.64 -1.93 -0.13 0.00 0.00 0.00 0.00 30.24 28.82 1kld n GLN 67 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1kld n HIS 68 N -1.91 0.77 -3.26 1.08 8.25 0.66 -4.80 115.22 116.02 1kld n HIS 68 Ca -0.01 0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 1kld n HIS 68 Cb 0.20 -1.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.13 1kld n HIS 68 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1kld s ASN 69 N -6.90 6.26 -0.67 0.41 -0.87 -0.27 -5.01 114.94 107.89 1kld s ASN 69 Ca -0.28 -0.36 -0.27 0.00 -1.57 0.00 0.00 52.86 50.38 1kld s ASN 69 Cb 0.08 -2.25 0.02 0.00 -0.02 0.00 0.00 41.25 39.07 1kld s ASN 69 CO 0.68 -0.57 1.42 -2.16 -2.57 0.00 0.00 177.10 173.90 1kld s PRO 70 N 2.35 3.12 0.00 -0.60 0.04 -1.26 -2.92 135.00 135.73 1kld s PRO 70 Ca 0.16 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1kld s PRO 70 Cb -0.16 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1kld s PRO 70 CO 0.14 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1kld n GLY 71 N 5.40 1.74 3.69 0.56 0.00 -1.26 -5.11 105.19 110.22 1kld n GLY 71 Ca 0.09 0.00 -0.37 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 -1.97 3.60 -0.67 4.61 0.00 -1.15 -4.97 121.76 121.22 1kld s ALA 72 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1kld s ALA 72 Cb 0.00 -2.41 0.44 0.00 0.00 0.00 0.00 23.12 21.15 1kld s ALA 72 CO 0.00 -0.09 2.04 -1.13 0.00 0.00 0.00 175.76 176.58 1kld n SER 73 N 4.02 7.70 -0.24 0.00 3.41 -1.26 -4.32 113.62 122.93 1kld n SER 73 Ca -0.12 -3.78 0.06 0.00 -0.26 0.00 0.00 58.87 54.77 1kld n SER 73 Cb 0.52 -0.98 0.11 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.89 2.28 -0.60 7.33 0.00 -1.26 -5.05 120.51 122.32 1kld n ALA 74 Ca 0.62 -1.87 -0.08 0.00 0.00 0.00 0.00 53.44 52.11 1kld n ALA 74 Cb 0.65 -0.31 0.13 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.76 -2.24 -1.00 0.00 0.00 -1.26 -4.91 120.51 110.33 1kld n ALA 75 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1kld n ALA 75 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.90 1.03 -3.44 0.00 -0.04 -1.26 -5.01 135.00 124.37 1kld n PRO 76 Ca 0.06 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1kld n PRO 76 Cb 0.25 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.60 1kld n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld n VAL 79 N 1.12 0.00 -2.57 0.00 0.24 -1.12 -4.67 118.33 111.32 1kld n VAL 79 Ca 0.10 -1.29 -0.41 0.00 -2.04 0.00 0.00 64.34 60.71 1kld n VAL 79 Cb 0.31 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 1kld n VAL 79 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1kld s PRO 80 N -2.64 3.28 0.00 7.34 0.04 -1.26 0.13 135.00 141.88 1kld s PRO 80 Ca 0.21 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.79 1kld s PRO 80 Cb 0.00 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1kld s PRO 80 CO 0.15 -2.15 0.64 0.94 0.04 0.00 0.00 177.00 176.63 1kld n GLN 81 N 9.19 0.00 -3.29 4.56 7.27 0.14 -4.56 117.38 130.70 1kld n GLN 81 Ca 0.09 0.37 -0.42 0.00 0.07 0.00 0.00 57.00 57.12 1kld n GLN 81 Cb 0.49 -1.24 -0.08 0.00 2.41 0.00 0.00 30.24 31.82 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 -2.88 3.46 0.30 1.69 0.00 -1.06 -4.99 121.76 118.28 1kld s ALA 82 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1kld s ALA 82 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1kld s ALA 82 CO 0.00 -1.30 0.00 1.28 0.00 0.00 0.00 175.76 175.74 1kld n LEU 83 N 5.67 0.00 -3.72 0.00 4.77 -1.26 -1.26 117.00 121.21 1kld n LEU 83 Ca -0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1kld n LEU 83 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1kld n LEU 83 CO 0.45 -0.36 0.07 -1.61 -1.33 0.00 0.00 177.39 174.61 1kld s GLU 84 N -1.06 0.99 0.00 3.23 2.02 -0.48 -4.67 118.70 118.73 1kld s GLU 84 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1kld s GLU 84 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1kld s GLU 84 CO 0.00 -0.37 0.00 -0.35 0.02 0.00 0.00 175.26 174.56 1kld n PRO 85 N -0.17 -0.08 -3.15 0.39 -0.04 -1.26 0.69 135.00 131.39 1kld n PRO 85 Ca -0.16 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.35 1kld n PRO 85 Cb 0.63 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.08 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 -1.06 -0.49 1.53 2.96 0.76 -4.35 118.68 118.04 1kld s LEU 86 Ca 0.00 0.59 -0.28 0.00 -0.22 0.00 0.00 54.13 54.22 1kld s LEU 86 Cb 0.00 1.86 0.01 0.00 0.50 0.00 0.00 46.19 48.56 1kld s LEU 86 CO 0.00 -0.20 1.43 -2.16 -1.32 0.00 0.00 176.35 174.10 1kld s PRO 87 N 2.89 3.41 0.00 0.98 0.04 -1.26 0.23 135.00 141.29 1kld s PRO 87 Ca 0.13 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1kld s PRO 87 Cb -0.12 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1kld s PRO 87 CO -0.18 -1.78 0.00 0.44 0.04 0.00 0.00 177.00 175.52 1kld n ILE 88 N 6.99 0.00 -3.32 0.56 -5.35 -0.90 -4.41 119.36 112.93 1kld n ILE 88 Ca 0.15 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.65 1kld n ILE 88 Cb 0.49 -0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 38.25 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 1.18 -0.75 0.18 7.28 1.01 0.89 -2.87 120.40 127.31 1kld s VAL 89 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 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 0.04 0.00 0.00 0.00 0.00 175.10 175.14 1kld n TYR 90 N 5.34 0.19 -4.58 5.22 4.11 -1.02 -1.40 117.16 125.01 1kld n TYR 90 Ca -0.07 -1.03 -0.27 0.00 -0.00 0.00 0.00 57.90 56.53 1kld n TYR 90 Cb 0.51 -0.04 -0.17 0.00 -0.00 0.00 0.00 39.34 39.64 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 -2.02 1.73 -0.69 -3.48 2.02 -1.26 -1.72 117.35 111.93 1kld s TYR 91 Ca 0.06 -0.72 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 1kld s TYR 91 Cb 0.00 -1.25 0.18 0.00 -0.40 0.00 0.00 41.96 40.49 1kld s TYR 91 CO 0.04 -0.36 0.58 0.08 -1.57 0.00 0.00 175.55 174.31 1kld s VAL 92 N 0.78 4.72 0.00 0.71 1.01 -0.68 -4.83 120.40 122.12 1kld s VAL 92 Ca -0.12 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.38 1kld s VAL 92 Cb -0.16 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1kld s VAL 92 CO 0.02 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.80 1kld n GLY 93 N 4.01 2.15 0.00 4.51 0.00 -1.26 -2.76 105.19 111.85 1kld n GLY 93 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 1.74 -1.26 -5.06 116.66 109.99 1kld n ARG 94 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1kld n ARG 94 Cb 0.00 -0.29 -0.11 0.00 -1.02 0.00 0.00 32.46 31.04 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 3.86 0.24 5.56 -0.14 -1.11 -5.07 119.74 123.08 1kld s LYS 95 Ca 0.00 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 53.94 1kld s LYS 95 Cb 0.00 -3.49 -0.09 0.00 -1.68 0.00 0.00 37.83 32.58 1kld s LYS 95 CO 0.00 -0.11 1.03 -1.25 -0.76 0.00 0.00 175.35 174.26 1kld s PRO 96 N 1.49 4.72 -0.04 -1.68 0.04 -1.26 -1.68 135.00 136.59 1kld s PRO 96 Ca 0.06 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1kld s PRO 96 Cb -0.15 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1kld s PRO 96 CO 0.07 0.31 0.07 0.15 0.04 0.00 0.00 177.00 177.64 1kld s LYS 97 N -1.13 -0.03 -0.10 4.56 1.02 -0.70 -4.97 119.74 118.40 1kld s LYS 97 Ca 0.44 0.31 -0.21 0.00 0.02 0.00 0.00 55.97 56.53 1kld s LYS 97 Cb -0.29 -0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 1kld s LYS 97 CO 0.36 -0.23 0.59 0.08 -0.92 0.00 0.00 175.35 175.23 1kld s VAL 98 N 1.53 5.12 0.00 3.17 1.01 -1.26 -2.44 120.40 127.53 1kld s VAL 98 Ca -0.04 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1kld s VAL 98 Cb -0.12 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1kld s VAL 98 CO -0.04 0.28 0.00 1.21 0.00 0.00 0.00 175.10 176.56 1kld n GLU 99 N 3.78 2.01 -3.13 2.72 0.00 -1.14 -4.95 120.64 119.94 1kld n GLU 99 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 56.97 1kld n GLU 99 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.90 1kld n GLU 99 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1kld s GLN 100 N 1.06 0.93 0.44 5.31 -0.21 -1.24 -2.11 119.66 123.83 1kld s GLN 100 Ca 0.00 -1.43 -0.21 0.00 0.02 0.00 0.00 55.36 53.73 1kld s GLN 100 Cb 0.00 -0.71 -0.13 0.00 1.00 0.00 0.00 33.01 33.17 1kld s GLN 100 CO 0.00 -1.33 0.35 1.28 -2.12 0.00 0.00 175.29 173.47 1kld n LEU 101 N 3.15 -1.10 -4.76 2.90 4.77 0.13 -4.25 117.00 117.84 1kld n LEU 101 Ca 0.22 0.84 -0.36 0.00 -0.03 0.00 0.00 56.01 56.68 1kld n LEU 101 Cb 0.51 -1.03 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1kld n LEU 101 CO 0.04 -3.45 -0.20 -0.44 -1.33 0.00 0.00 177.39 172.01 1kld s SER 102 N -0.99 6.09 -1.55 -1.43 0.01 -1.26 -0.17 113.70 114.39 1kld s SER 102 Ca 0.62 0.28 -0.02 0.00 1.31 0.00 0.00 55.95 58.15 1kld s SER 102 Cb -0.59 -2.01 0.01 0.00 0.21 0.00 0.00 66.02 63.64 1kld s SER 102 CO 0.60 0.28 0.15 0.59 0.41 0.00 0.00 173.24 175.27 1kld n ASN 103 N 2.84 -5.41 -1.30 2.44 5.03 -0.82 -4.83 115.26 113.21 1kld n ASN 103 Ca -0.18 -0.05 0.06 0.00 0.87 0.00 0.00 54.58 55.29 1kld n ASN 103 Cb 0.53 -4.48 0.27 0.00 -1.02 0.00 0.00 39.78 35.08 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 -3.22 3.20 -4.11 3.52 1.56 0.22 -4.58 117.12 113.70 1kld n MET 104 Ca -0.19 -2.14 -0.09 0.00 -0.27 0.00 0.00 57.70 55.01 1kld n MET 104 Cb 0.65 -1.80 -0.10 0.00 2.15 0.00 0.00 33.22 34.12 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 -1.88 0.12 -0.06 1.12 1.01 -0.28 -4.78 121.20 116.46 1kld s ILE 105 Ca 0.38 -1.82 0.06 0.00 0.00 0.00 0.00 60.65 59.27 1kld s ILE 105 Cb 0.26 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1kld s ILE 105 CO 0.17 -0.55 -0.24 -0.69 0.00 0.00 0.00 174.94 173.62 1kld s VAL 106 N -4.01 2.11 0.00 2.92 1.01 -0.87 -1.39 120.40 120.17 1kld s VAL 106 Ca 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1kld s VAL 106 Cb 0.07 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1kld s VAL 106 CO -0.01 0.57 0.00 -1.14 0.00 0.00 0.00 175.10 174.52 1kld n ARG 107 N 2.97 4.50 -3.64 2.72 0.63 -0.39 -4.82 116.66 118.63 1kld n ARG 107 Ca -0.18 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.69 1kld n ARG 107 Cb 0.52 -0.46 -0.07 0.00 0.45 0.00 0.00 32.46 32.90 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 -0.87 -0.26 0.42 6.15 1.04 -1.20 -4.29 113.70 114.68 1kld s SER 108 Ca 0.00 0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.95 1kld s SER 108 Cb 0.00 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1kld s SER 108 CO 0.00 -0.09 0.33 0.00 0.98 0.00 0.00 173.24 174.46 1kld n LYS 110 N -1.58 0.00 -3.31 0.00 -0.00 0.12 -4.11 118.16 109.27 1kld n LYS 110 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.26 1kld n LYS 110 Cb 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.18 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40