#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 3.80 0.00 0.00 4.77 -1.26 -4.81 117.00 119.50 1kld n LEU 2 Ca 0.00 -4.69 -0.21 0.00 -0.03 0.00 0.00 56.01 51.08 1kld n LEU 2 Cb 0.00 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1kld n LEU 2 CO 0.00 2.00 0.19 -0.90 -1.33 0.00 0.00 177.39 177.35 1kld n ASP 3 N -0.42 2.30 0.00 -1.43 5.68 -1.26 -2.17 116.55 119.25 1kld n ASP 3 Ca 0.31 -2.58 0.03 0.00 -0.50 0.00 0.00 54.79 52.04 1kld n ASP 3 Cb 0.75 -0.20 0.17 0.00 -1.14 0.00 0.00 41.12 40.69 1kld n ASP 3 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kld n THR 4 N -1.90 0.00 -0.13 2.12 -2.24 -1.12 -2.69 114.28 108.32 1kld n THR 4 Ca 0.06 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.65 1kld n THR 4 Cb 0.56 -0.13 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.59 2.01 0.12 3.42 4.05 -1.26 -3.85 115.26 119.15 1kld n ASN 5 Ca 0.04 -0.11 0.04 0.00 0.45 0.00 0.00 54.58 55.01 1kld n ASN 5 Cb 0.02 -0.43 0.01 0.00 1.23 0.00 0.00 39.78 40.61 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1kld h TYR 6 N -0.07 0.00 0.00 1.20 3.20 -1.88 -3.25 116.97 116.18 1kld h TYR 6 Ca -0.58 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.29 1kld h TYR 6 Cb 1.87 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.14 1kld h TYR 6 CO 0.02 0.41 -0.22 0.00 -1.64 0.00 0.00 178.16 176.72 1kld n PHE 8 N -2.42 0.44 0.00 0.00 3.01 -1.22 -4.46 117.46 112.81 1kld n PHE 8 Ca 0.04 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1kld n PHE 8 Cb 0.46 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.36 0.00 -4.91 4.37 2.88 -1.19 -5.07 113.62 110.05 1kld n SER 9 Ca 0.10 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.36 1kld n SER 9 Cb 0.29 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 1kld n SER 9 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1kld s SER 10 N -3.67 6.41 0.15 -3.46 0.15 -1.20 -5.09 113.70 106.99 1kld s SER 10 Ca 0.00 0.64 0.04 0.00 0.70 0.00 0.00 55.95 57.33 1kld s SER 10 Cb 0.00 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1kld s SER 10 CO 0.00 -0.19 0.15 0.42 1.20 0.00 0.00 173.24 174.82 1kld s THR 11 N -2.09 4.62 0.22 6.45 -4.23 -1.26 -4.63 115.64 114.72 1kld s THR 11 Ca 0.43 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1kld s THR 11 Cb -0.11 -3.35 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1kld s THR 11 CO 0.31 -0.08 0.38 -1.84 -0.54 0.00 0.00 174.62 172.85 1kld n GLU 12 N -0.30 0.55 -0.07 3.99 0.00 -1.26 -5.05 120.64 118.50 1kld n GLU 12 Ca -0.08 -1.51 0.03 0.00 0.00 0.00 0.00 57.16 55.61 1kld n GLU 12 Cb 0.54 1.64 0.05 0.00 0.00 0.00 0.00 31.44 33.67 1kld n GLU 12 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1kld n LYS 13 N -0.33 1.73 -2.21 3.44 0.00 -1.26 -4.99 118.16 114.54 1kld n LYS 13 Ca -0.02 -1.69 -0.10 0.00 -0.00 0.00 0.00 58.31 56.49 1kld n LYS 13 Cb 0.35 -1.06 0.01 0.00 -0.00 0.00 0.00 35.03 34.34 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1kld n ASN 14 N -0.71 1.36 -4.52 -5.58 3.02 -1.26 -4.76 115.26 102.81 1kld n ASN 14 Ca 0.05 -1.76 -0.16 0.00 -0.03 0.00 0.00 54.58 52.68 1kld n ASN 14 Cb 0.46 -0.10 -0.14 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.05 3.96 0.34 0.00 0.11 -1.26 -3.55 120.40 119.95 1kld s VAL 17 Ca -0.01 0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 59.44 1kld s VAL 17 Cb -0.09 -4.79 -0.05 0.00 -1.53 0.00 0.00 36.38 29.92 1kld s VAL 17 CO 0.01 -1.57 0.64 -0.13 -3.33 0.00 0.00 175.10 170.72 1kld s ARG 18 N 5.09 3.65 0.65 1.54 0.52 -0.49 -4.62 118.95 125.29 1kld s ARG 18 Ca 0.35 0.12 -0.17 0.00 -0.52 0.00 0.00 55.73 55.51 1kld s ARG 18 Cb -0.09 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1kld s ARG 18 CO 0.18 0.10 1.00 0.00 0.02 0.00 0.00 175.30 176.60 1kld n GLN 19 N -1.23 0.79 -2.56 3.54 10.64 -1.26 -2.88 117.38 124.42 1kld n GLN 19 Ca -0.01 0.32 -0.04 0.00 -1.83 0.00 0.00 57.00 55.44 1kld n GLN 19 Cb 0.54 -2.22 0.08 0.00 -0.86 0.00 0.00 30.24 27.77 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 -1.18 -1.43 -4.54 2.61 7.94 -1.26 -4.78 117.00 114.37 1kld n LEU 20 Ca 0.14 -2.73 -0.52 0.00 -1.11 0.00 0.00 56.01 51.79 1kld n LEU 20 Cb 0.48 0.35 -0.05 0.00 0.53 0.00 0.00 43.42 44.73 1kld n LEU 20 CO 0.49 1.57 0.62 0.00 -1.11 0.00 0.00 177.39 178.96 1kld n TYR 21 N -0.72 0.94 -4.06 1.96 4.19 -1.26 -3.95 117.16 114.25 1kld n TYR 21 Ca -0.12 0.80 -0.32 0.00 3.31 0.00 0.00 57.90 61.57 1kld n TYR 21 Cb 0.77 -2.20 -0.16 0.00 0.49 0.00 0.00 39.34 38.24 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 -0.14 1.87 -0.82 2.97 1.01 -0.61 -4.89 121.20 120.58 1kld s ILE 22 Ca 0.78 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 1kld s ILE 22 Cb -0.98 -1.79 0.06 0.00 0.01 0.00 0.00 42.46 39.77 1kld s ILE 22 CO 0.53 0.37 1.20 -0.62 0.00 0.00 0.00 174.94 176.42 1kld s ASP 23 N 1.34 6.33 0.00 3.58 2.15 -1.26 -2.20 116.67 126.60 1kld s ASP 23 Ca 0.02 -1.13 0.00 0.00 0.43 0.00 0.00 52.55 51.87 1kld s ASP 23 Cb -0.14 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1kld s ASP 23 CO -0.10 -1.50 0.00 0.49 -0.17 0.00 0.00 175.17 173.88 1kld n PHE 24 N 8.26 0.00 0.05 -5.34 3.72 -0.56 0.19 117.46 123.77 1kld n PHE 24 Ca 0.12 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.32 1kld n PHE 24 Cb 0.48 -0.29 -0.14 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.30 -0.11 -1.08 0.11 -1.79 0.49 114.38 112.31 1kld h ARG 25 Ca 0.00 -0.52 -0.00 0.00 0.10 0.00 0.00 59.98 59.56 1kld h ARG 25 Cb 0.00 0.19 -0.00 0.00 1.11 0.00 0.00 29.97 31.27 1kld h ARG 25 CO 0.00 1.19 0.05 -0.22 0.10 0.00 0.00 179.97 181.10 1kld h LYS 26 N 0.08 0.15 0.00 0.08 3.64 0.17 -0.63 116.57 120.07 1kld h LYS 26 Ca -0.34 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1kld h LYS 26 Cb 2.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1kld h LYS 26 CO 0.14 0.20 -0.44 -0.44 -2.27 0.00 0.00 179.45 176.65 1kld h ASP 27 N 0.06 0.00 0.72 4.20 3.32 -1.41 -3.40 116.42 119.91 1kld h ASP 27 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kld h ASP 27 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1kld h ASP 27 CO -0.01 0.67 -0.53 0.18 -1.72 0.00 0.00 179.24 177.84 1kld n LEU 28 N -4.40 0.56 -1.08 1.55 4.77 -1.07 -4.90 117.00 112.44 1kld n LEU 28 Ca -0.06 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1kld n LEU 28 Cb 0.23 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1kld n LEU 28 CO 0.09 0.02 -0.13 0.61 -1.33 0.00 0.00 177.39 176.66 1kld n GLY 29 N 1.42 1.28 3.67 -0.72 0.00 0.15 -4.81 105.19 106.18 1kld n GLY 29 Ca 0.04 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.48 1kld n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kld n TRP 30 N -2.16 1.76 0.72 1.61 7.02 -0.15 -4.79 117.44 121.46 1kld n TRP 30 Ca -0.13 0.71 0.09 0.00 -1.02 0.00 0.00 57.50 57.15 1kld n TRP 30 Cb 0.59 -2.36 -0.12 0.00 -2.42 0.00 0.00 31.31 26.99 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 4.18 0.53 -0.06 -0.99 5.02 -1.26 -4.18 118.16 121.40 1kld n LYS 31 Ca 0.25 -0.04 0.09 0.00 -2.02 0.00 0.00 58.31 56.59 1kld n LYS 31 Cb 0.11 -1.44 0.40 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.63 0.15 -4.37 2.13 4.27 -1.26 -4.76 117.44 111.97 1kld n TRP 32 Ca 0.02 -0.07 -0.23 0.00 -3.89 0.00 0.00 57.50 53.33 1kld n TRP 32 Cb 0.36 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 30.14 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 -1.85 0.87 -0.22 -1.67 1.01 -1.26 -4.40 121.20 113.67 1kld s ILE 33 Ca 0.29 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 1kld s ILE 33 Cb 0.15 -0.83 -0.12 0.00 0.01 0.00 0.00 42.46 41.66 1kld s ILE 33 CO 0.23 0.30 -0.13 1.57 0.00 0.00 0.00 174.94 176.91 1kld n HIS 34 N 3.97 0.50 -4.25 3.97 -0.00 -0.32 -4.94 115.22 114.15 1kld n HIS 34 Ca -0.23 0.22 -0.17 0.00 -0.00 0.00 0.00 57.72 57.54 1kld n HIS 34 Cb 0.51 -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 1.07 0.94 1.57 2.02 -0.91 -4.35 118.70 116.56 1kld s GLU 35 Ca -0.30 -1.34 -0.15 0.00 0.02 0.00 0.00 54.97 53.20 1kld s GLU 35 Cb 0.08 -0.83 0.17 0.00 0.10 0.00 0.00 34.13 33.65 1kld s GLU 35 CO 0.48 0.14 1.23 -1.25 0.02 0.00 0.00 175.26 175.87 1kld s PRO 36 N -3.11 0.84 0.37 0.39 0.04 -1.26 -0.25 135.00 132.01 1kld s PRO 36 Ca 0.13 -0.11 0.12 0.00 0.04 0.00 0.00 61.00 61.18 1kld s PRO 36 Cb -0.02 -1.84 0.90 0.00 0.04 0.00 0.00 34.50 33.58 1kld s PRO 36 CO 0.03 -2.33 1.85 0.87 0.04 0.00 0.00 177.00 177.46 1kld h LYS 37 N -1.59 0.58 0.00 4.56 1.57 -1.98 -3.44 116.57 116.27 1kld h LYS 37 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1kld h LYS 37 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1kld h LYS 37 CO 0.49 0.38 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 1kld n GLY 38 N -1.45 2.32 3.78 3.86 0.00 -1.26 -1.50 105.19 110.94 1kld n GLY 38 Ca 0.19 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.88 1kld n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kld s TYR 39 N -1.02 -0.00 -1.06 1.61 1.13 -0.93 -4.83 117.35 112.25 1kld s TYR 39 Ca 0.00 -0.01 -0.15 0.00 -1.41 0.00 0.00 57.07 55.51 1kld s TYR 39 Cb 0.00 0.50 0.18 0.00 -1.10 0.00 0.00 41.96 41.55 1kld s TYR 39 CO 0.00 -0.02 1.21 -1.01 -2.51 0.00 0.00 175.55 173.21 1kld s HIS 40 N -2.02 3.54 0.28 -3.49 3.76 -1.26 -1.57 115.29 114.53 1kld s HIS 40 Ca 0.23 -1.98 0.22 0.00 -0.15 0.00 0.00 55.06 53.38 1kld s HIS 40 Cb 0.04 -4.17 1.00 0.00 1.11 0.00 0.00 32.58 30.57 1kld s HIS 40 CO -0.05 -1.30 1.89 0.00 -0.85 0.00 0.00 174.74 174.42 1kld h ALA 41 N 7.67 1.17 -2.73 -1.40 0.00 -1.86 -3.40 119.26 118.71 1kld h ALA 41 Ca 0.22 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 55.19 1kld h ALA 41 Cb 0.94 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1kld h ALA 41 CO 1.10 0.32 -0.61 0.09 0.00 0.00 0.00 179.25 180.15 1kld n ASN 42 N -3.64 -6.64 -3.59 0.00 3.02 -1.25 -2.99 115.26 100.16 1kld n ASN 42 Ca -0.01 0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 55.15 1kld n ASN 42 Cb 0.38 -3.82 -0.05 0.00 -0.61 0.00 0.00 39.78 35.67 1kld n ASN 42 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1kld s PHE 43 N -2.86 -0.31 -0.19 3.10 -0.71 -1.14 -4.77 117.98 111.11 1kld s PHE 43 Ca 0.00 0.55 -0.05 0.00 -1.04 0.00 0.00 56.93 56.39 1kld s PHE 43 Cb 0.00 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1kld s PHE 43 CO 0.00 -0.27 -0.01 0.00 -1.34 0.00 0.00 175.22 173.60 1kld n LEU 45 N 4.04 0.00 -0.00 0.00 4.77 -1.23 -4.54 117.00 120.04 1kld n LEU 45 Ca -0.17 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1kld n LEU 45 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1kld n LEU 45 CO 0.32 -0.47 -0.41 0.61 -1.33 0.00 0.00 177.39 176.11 1kld n GLY 46 N 2.89 -0.66 3.68 -0.72 0.00 -1.26 -1.88 105.19 107.24 1kld n GLY 46 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1kld n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kld s PRO 47 N -2.89 4.31 -0.15 1.61 0.04 -1.26 -2.46 135.00 134.19 1kld s PRO 47 Ca -0.01 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 1kld s PRO 47 Cb 0.11 -3.63 0.07 0.00 0.04 0.00 0.00 34.50 31.10 1kld s PRO 47 CO 0.68 -0.55 0.23 0.00 0.04 0.00 0.00 177.00 177.41 1kld n PRO 49 N 5.34 1.37 -3.38 0.00 -0.04 -1.26 -4.57 135.00 132.46 1kld n PRO 49 Ca -0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 1kld n PRO 49 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 1kld n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1kld s TYR 50 N 0.00 3.64 0.00 0.54 2.02 -1.26 -4.05 117.35 118.25 1kld s TYR 50 Ca 0.00 1.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 1kld s TYR 50 Cb 0.00 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1kld s TYR 50 CO 0.00 0.48 0.00 0.44 -1.57 0.00 0.00 175.55 174.90 1kld n ILE 51 N 1.02 0.00 -1.56 2.71 -5.35 -1.26 -4.90 119.36 110.02 1kld n ILE 51 Ca -0.07 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 1kld n ILE 51 Cb 0.52 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.43 1.12 -3.33 4.28 -0.00 -1.26 -4.05 117.44 113.77 1kld n TRP 52 Ca 0.00 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.50 57.26 1kld n TRP 52 Cb 0.00 -2.62 0.02 0.00 -0.00 0.00 0.00 31.31 28.71 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 18.98 -6.09 -4.83 5.87 2.88 -1.26 -4.56 113.62 124.61 1kld n SER 53 Ca 0.46 0.15 -0.36 0.00 -1.33 0.00 0.00 58.87 57.79 1kld n SER 53 Cb 0.44 -1.73 -0.07 0.00 -0.75 0.00 0.00 64.21 62.10 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 -1.74 4.31 -0.06 2.46 1.43 -1.26 -1.26 118.68 122.56 1kld s LEU 54 Ca 0.19 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1kld s LEU 54 Cb -0.02 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1kld s LEU 54 CO 0.46 0.35 -0.12 -0.67 0.23 0.00 0.00 176.35 176.60 1kld n ASP 55 N 2.38 0.66 -4.95 2.29 -0.08 -1.06 -4.78 116.55 111.01 1kld n ASP 55 Ca -0.19 0.12 -0.23 0.00 -1.51 0.00 0.00 54.79 52.98 1kld n ASP 55 Cb 0.54 -0.58 -0.01 0.00 2.34 0.00 0.00 41.12 43.41 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1kld s THR 56 N -1.65 4.76 0.35 5.18 -4.23 -1.25 -4.99 115.64 113.81 1kld s THR 56 Ca -0.10 -0.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1kld s THR 56 Cb 0.01 -3.73 0.11 0.00 1.34 0.00 0.00 72.50 70.23 1kld s THR 56 CO 0.15 -0.46 1.83 1.56 -0.54 0.00 0.00 174.62 177.15 1kld h GLN 57 N 0.70 0.24 0.00 3.99 7.50 -1.95 -1.50 115.11 124.07 1kld h GLN 57 Ca -0.49 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 58.59 1kld h GLN 57 Cb 1.23 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.74 1kld h GLN 57 CO 0.60 0.47 0.00 0.98 -1.50 0.00 0.00 178.83 179.38 1kld n TYR 58 N -4.17 0.70 -0.03 2.96 9.36 -1.26 -2.17 117.16 122.54 1kld n TYR 58 Ca -0.01 0.33 -0.15 0.00 3.32 0.00 0.00 57.90 61.39 1kld n TYR 58 Cb 0.35 -1.03 -0.09 0.00 -0.63 0.00 0.00 39.34 37.95 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 0.52 0.83 2.98 0.02 -1.55 -1.67 113.55 114.68 1kld h SER 59 Ca 0.00 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1kld h SER 59 Cb 0.13 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1kld h SER 59 CO 0.00 1.06 0.00 0.07 -1.14 0.00 0.00 176.83 176.82 1kld h LYS 60 N 0.01 0.00 0.00 3.45 2.10 -1.56 -1.61 116.57 118.96 1kld h LYS 60 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1kld h LYS 60 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1kld h LYS 60 CO 0.08 0.00 0.00 0.28 -2.00 0.00 0.00 179.45 177.81 1kld n VAL 61 N -2.83 0.00 -0.34 0.07 0.31 -1.10 -3.46 118.33 110.97 1kld n VAL 61 Ca 0.01 0.01 0.36 0.00 -0.01 0.00 0.00 64.34 64.71 1kld n VAL 61 Cb 0.26 -0.27 0.65 0.00 -0.91 0.00 0.00 33.84 33.56 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 0.78 7.52 5.85 -1.43 0.25 115.31 128.28 1kld h LEU 62 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1kld h LEU 62 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1kld h LEU 62 CO 0.00 0.00 -0.44 0.00 -0.34 0.00 0.00 178.44 177.66 1kld h ALA 63 N 0.95 -1.16 -0.60 1.25 0.00 -1.43 -2.41 119.26 115.87 1kld h ALA 63 Ca 0.60 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1kld h ALA 63 Cb 2.83 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 21.11 1kld h ALA 63 CO -0.01 -1.16 0.14 -0.07 0.00 0.00 0.00 179.25 178.16 1kld h LEU 64 N -1.13 0.88 -1.45 0.00 3.38 -0.58 -1.59 115.31 114.82 1kld h LEU 64 Ca -0.10 -0.17 0.31 0.00 0.09 0.00 0.00 57.88 58.01 1kld h LEU 64 Cb 0.89 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 1kld h LEU 64 CO 0.13 0.85 0.73 0.22 0.09 0.00 0.00 178.44 180.46 1kld h TYR 65 N 0.89 0.55 0.00 1.13 5.03 -0.97 0.18 116.97 123.79 1kld h TYR 65 Ca 0.19 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.34 1kld h TYR 65 Cb 0.32 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 1kld h TYR 65 CO 0.02 -0.01 -1.03 -0.97 -1.32 0.00 0.00 178.16 174.85 1kld h ASN 66 N 0.28 0.00 0.00 -2.11 -1.24 -0.93 -3.19 115.58 108.39 1kld h ASN 66 Ca 0.64 -0.52 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1kld h ASN 66 Cb 1.83 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.88 1kld h ASN 66 CO -0.29 1.36 0.29 1.56 -1.29 0.00 0.00 177.43 179.06 1kld h GLN 67 N -1.00 0.00 0.08 6.67 1.08 -0.41 0.63 115.11 122.17 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 1.19 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.58 1kld h GLN 67 CO -0.17 0.00 -2.17 0.72 -0.95 0.00 0.00 178.83 176.26 1kld n HIS 68 N -2.20 0.82 -3.62 2.96 8.25 0.56 -4.82 115.22 117.16 1kld n HIS 68 Ca -0.01 0.17 -0.39 0.00 -0.26 0.00 0.00 57.72 57.24 1kld n HIS 68 Cb 0.31 -1.11 -0.11 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 -6.86 5.72 -0.22 0.41 -0.87 0.22 -5.05 114.94 108.29 1kld s ASN 69 Ca -0.27 -0.34 -0.29 0.00 -1.57 0.00 0.00 52.86 50.39 1kld s ASN 69 Cb 0.07 -2.05 0.00 0.00 -0.02 0.00 0.00 41.25 39.26 1kld s ASN 69 CO 0.71 -0.15 1.12 -2.16 -2.57 0.00 0.00 177.10 174.05 1kld s PRO 70 N 1.67 4.23 0.00 -0.60 0.04 -1.26 -3.23 135.00 135.85 1kld s PRO 70 Ca 0.06 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1kld s PRO 70 Cb -0.17 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1kld s PRO 70 CO 0.08 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1kld n GLY 71 N 3.48 0.98 3.67 0.56 0.00 -1.26 -5.08 105.19 107.54 1kld n GLY 71 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.56 -0.36 4.61 0.00 -1.20 -4.94 121.76 121.43 1kld s ALA 72 Ca 0.00 -0.52 0.11 0.00 0.00 0.00 0.00 51.96 51.56 1kld s ALA 72 Cb 0.00 -2.62 0.70 0.00 0.00 0.00 0.00 23.12 21.19 1kld s ALA 72 CO 0.00 -0.27 1.58 -1.13 0.00 0.00 0.00 175.76 175.93 1kld n SER 73 N 4.41 4.98 -0.66 0.00 3.41 -1.26 -4.17 113.62 120.32 1kld n SER 73 Ca -0.08 -2.82 0.09 0.00 -0.26 0.00 0.00 58.87 55.80 1kld n SER 73 Cb 0.51 -0.67 0.30 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.46 2.49 -0.64 7.33 0.00 -1.26 -4.95 120.51 123.94 1kld n ALA 74 Ca 0.25 -0.62 -0.20 0.00 0.00 0.00 0.00 53.44 52.87 1kld n ALA 74 Cb 1.08 -1.03 0.11 0.00 0.00 0.00 0.00 19.45 19.61 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 0.53 -0.92 -1.00 0.00 0.00 -1.26 -4.89 120.51 112.97 1kld n ALA 75 Ca 0.16 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1kld n ALA 75 Cb 0.36 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.64 -0.15 -3.42 0.00 -0.04 -1.26 -4.96 135.00 124.53 1kld n PRO 76 Ca 0.03 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 1kld n PRO 76 Cb 0.38 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 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 -0.53 0.00 0.39 0.00 -7.23 -1.11 -4.14 120.40 107.78 1kld s VAL 79 Ca 0.65 -1.74 -0.19 0.00 -1.81 0.00 0.00 61.98 58.89 1kld s VAL 79 Cb -0.70 -2.61 -0.10 0.00 0.56 0.00 0.00 36.38 33.52 1kld s VAL 79 CO 0.55 0.00 0.87 -2.16 -0.31 0.00 0.00 175.10 174.05 1kld s PRO 80 N -3.12 4.14 0.13 4.82 0.04 -1.26 -0.04 135.00 139.71 1kld s PRO 80 Ca 0.34 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1kld s PRO 80 Cb 0.00 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1kld s PRO 80 CO 0.24 0.04 0.00 0.94 0.04 0.00 0.00 177.00 178.26 1kld n GLN 81 N -0.53 0.00 -3.11 4.56 7.27 -0.41 -4.80 117.38 120.36 1kld n GLN 81 Ca 0.06 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.68 1kld n GLN 81 Cb 0.54 -0.14 -0.01 0.00 2.41 0.00 0.00 30.24 33.03 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 -2.00 3.92 1.00 1.69 0.00 -1.23 -5.01 121.76 120.14 1kld s ALA 82 Ca 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 51.96 48.74 1kld s ALA 82 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1kld s ALA 82 CO 0.00 -2.62 0.00 1.28 0.00 0.00 0.00 175.76 174.42 1kld n LEU 83 N 5.04 0.00 -3.87 0.00 4.77 -1.26 -1.67 117.00 120.00 1kld n LEU 83 Ca 0.24 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1kld n LEU 83 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1kld n LEU 83 CO 0.48 -0.55 -0.12 -1.61 -1.33 0.00 0.00 177.39 174.26 1kld s GLU 84 N -2.41 0.79 0.03 3.23 2.02 -0.36 -4.64 118.70 117.36 1kld s GLU 84 Ca 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.07 1kld s GLU 84 Cb 0.00 0.32 0.01 0.00 0.10 0.00 0.00 34.13 34.56 1kld s GLU 84 CO 0.00 -0.24 0.03 -0.35 0.02 0.00 0.00 175.26 174.72 1kld n PRO 85 N 0.10 -0.65 -3.18 0.39 -0.04 -1.26 0.04 135.00 130.41 1kld n PRO 85 Ca -0.16 -0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1kld n PRO 85 Cb 0.62 -0.04 -0.01 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 -1.22 -0.36 1.53 2.96 0.50 -4.41 118.68 117.68 1kld s LEU 86 Ca 0.02 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 54.46 1kld s LEU 86 Cb -0.00 2.04 0.01 0.00 0.50 0.00 0.00 46.19 48.74 1kld s LEU 86 CO 0.01 -0.23 1.37 -2.16 -1.32 0.00 0.00 176.35 174.03 1kld s PRO 87 N 2.87 3.71 0.00 0.98 0.04 -1.26 0.04 135.00 141.39 1kld s PRO 87 Ca 0.16 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1kld s PRO 87 Cb -0.14 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1kld s PRO 87 CO -0.19 -1.38 0.00 0.44 0.04 0.00 0.00 177.00 175.90 1kld n ILE 88 N 6.72 0.00 -3.16 0.56 -5.35 -0.88 -4.25 119.36 112.99 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 0.31 -0.84 0.02 7.28 1.01 0.66 -2.98 120.40 125.86 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 5.44 -0.15 -3.96 5.22 4.11 -0.68 -1.17 117.16 125.97 1kld n TYR 90 Ca -0.03 -0.11 -0.14 0.00 -0.00 0.00 0.00 57.90 57.62 1kld n TYR 90 Cb 0.52 -0.02 -0.15 0.00 -0.00 0.00 0.00 39.34 39.69 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 -0.95 0.21 -0.56 -3.48 1.51 -1.26 -1.52 117.35 111.29 1kld s TYR 91 Ca 0.00 -0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 56.01 1kld s TYR 91 Cb -0.00 -0.19 0.15 0.00 -0.11 0.00 0.00 41.96 41.81 1kld s TYR 91 CO 0.00 -0.03 0.37 0.08 -1.11 0.00 0.00 175.55 174.86 1kld s VAL 92 N 0.23 3.59 0.00 0.71 1.01 -0.64 -4.88 120.40 120.43 1kld s VAL 92 Ca -0.02 -2.70 0.00 0.00 0.00 0.00 0.00 61.98 59.26 1kld s VAL 92 Cb -0.04 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1kld s VAL 92 CO -0.01 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 174.88 1kld n GLY 93 N 3.80 2.03 0.00 4.51 0.00 -1.26 -2.74 105.19 111.53 1kld n GLY 93 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.57 1.61 1.74 -1.26 -5.07 116.66 110.11 1kld n ARG 94 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1kld n ARG 94 Cb 0.00 -0.26 -0.07 0.00 -1.02 0.00 0.00 32.46 31.11 1kld n ARG 94 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1kld s LYS 95 N 0.00 4.18 0.39 5.56 2.20 -1.11 -5.07 119.74 125.90 1kld s LYS 95 Ca 0.00 0.07 -0.24 0.00 -0.36 0.00 0.00 55.97 55.45 1kld s LYS 95 Cb 0.00 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1kld s LYS 95 CO 0.00 0.30 1.01 -1.25 -0.36 0.00 0.00 175.35 175.05 1kld s PRO 96 N 0.29 4.26 -0.21 4.03 0.04 -1.26 -1.62 135.00 140.51 1kld s PRO 96 Ca 0.16 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 1kld s PRO 96 Cb -0.13 -2.53 0.10 0.00 0.04 0.00 0.00 34.50 31.97 1kld s PRO 96 CO 0.04 -0.04 0.23 0.15 0.04 0.00 0.00 177.00 177.42 1kld s LYS 97 N -2.51 0.21 -0.13 4.56 -0.14 -0.57 -4.93 119.74 116.22 1kld s LYS 97 Ca 0.57 0.15 -0.18 0.00 -1.36 0.00 0.00 55.97 55.15 1kld s LYS 97 Cb -0.19 -1.15 -0.04 0.00 -1.68 0.00 0.00 37.83 34.77 1kld s LYS 97 CO 0.24 -0.70 0.48 0.08 -0.76 0.00 0.00 175.35 174.69 1kld s VAL 98 N 2.33 5.18 0.00 3.17 1.01 -1.26 -1.69 120.40 129.13 1kld s VAL 98 Ca 0.07 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1kld s VAL 98 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1kld s VAL 98 CO -0.15 0.31 0.00 1.21 0.00 0.00 0.00 175.10 176.47 1kld n GLU 99 N 3.82 1.19 -3.26 2.72 4.07 -1.16 -4.96 120.64 123.06 1kld n GLU 99 Ca -0.07 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.86 1kld n GLU 99 Cb 0.51 0.00 -0.07 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 1.18 0.80 0.39 5.31 -0.21 -1.25 -2.08 119.66 123.80 1kld s GLN 100 Ca 0.00 -1.28 -0.23 0.00 0.02 0.00 0.00 55.36 53.87 1kld s GLN 100 Cb 0.00 -0.81 -0.14 0.00 1.00 0.00 0.00 33.01 33.06 1kld s GLN 100 CO 0.00 -1.28 0.41 1.28 -2.12 0.00 0.00 175.29 173.58 1kld n LEU 101 N 3.57 -0.98 -4.72 2.90 4.77 0.11 -4.28 117.00 118.37 1kld n LEU 101 Ca 0.18 0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 56.71 1kld n LEU 101 Cb 0.48 -1.03 -0.08 0.00 -2.33 0.00 0.00 43.42 40.45 1kld n LEU 101 CO 0.07 -3.28 -0.21 -0.44 -1.33 0.00 0.00 177.39 172.19 1kld s SER 102 N -0.96 5.95 -1.48 -1.43 0.01 -1.26 -0.37 113.70 114.15 1kld s SER 102 Ca 0.62 0.21 -0.07 0.00 1.31 0.00 0.00 55.95 58.02 1kld s SER 102 Cb -0.64 -1.99 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1kld s SER 102 CO 0.59 0.23 0.86 0.59 0.41 0.00 0.00 173.24 175.93 1kld n ASN 103 N 3.15 -6.23 -0.23 2.44 4.13 -0.94 -4.86 115.26 112.72 1kld n ASN 103 Ca -0.17 -0.40 0.12 0.00 1.68 0.00 0.00 54.58 55.80 1kld n ASN 103 Cb 0.53 -4.97 0.20 0.00 -1.54 0.00 0.00 39.78 33.99 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 -4.47 0.66 -4.48 3.52 0.00 0.11 -4.66 117.12 107.79 1kld n MET 104 Ca -0.06 -0.46 -0.23 0.00 -0.00 0.00 0.00 57.70 56.95 1kld n MET 104 Cb 0.59 -1.49 -0.10 0.00 0.00 0.00 0.00 33.22 32.22 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 -2.66 1.91 -0.13 1.12 1.01 -0.40 -4.75 121.20 117.31 1kld s ILE 105 Ca 0.18 -2.16 0.00 0.00 0.00 0.00 0.00 60.65 58.67 1kld s ILE 105 Cb 0.18 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1kld s ILE 105 CO 0.61 -0.26 -0.14 -0.69 0.00 0.00 0.00 174.94 174.47 1kld s VAL 106 N -2.83 3.01 -0.07 2.92 1.01 -1.16 -1.23 120.40 122.05 1kld s VAL 106 Ca 0.31 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1kld s VAL 106 Cb 0.03 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 34.05 1kld s VAL 106 CO 0.14 0.53 0.18 -1.14 0.00 0.00 0.00 175.10 174.80 1kld n ARG 107 N 3.50 1.05 -3.59 2.72 0.63 -0.67 -4.83 116.66 115.47 1kld n ARG 107 Ca -0.18 -0.05 -0.11 0.00 -0.92 0.00 0.00 57.85 56.59 1kld n ARG 107 Cb 0.53 -1.10 -0.06 0.00 0.45 0.00 0.00 32.46 32.28 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 -2.59 -0.41 0.02 6.15 0.15 -1.24 -2.80 113.70 112.99 1kld s SER 108 Ca -0.02 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1kld s SER 108 Cb 0.05 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1kld s SER 108 CO 0.29 -0.30 0.01 0.00 1.20 0.00 0.00 173.24 174.44 1kld n LYS 110 N -0.33 0.00 -3.39 0.00 4.81 0.94 -4.73 118.16 115.47 1kld n LYS 110 Ca -0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 1kld n LYS 110 Cb 0.03 0.00 -0.09 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