#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 6.10 0.00 0.00 4.77 -1.26 -4.66 117.00 121.95 1kld n LEU 2 Ca 0.00 -5.24 -0.11 0.00 -0.03 0.00 0.00 56.01 50.63 1kld n LEU 2 Cb 0.00 -1.21 -0.02 0.00 -2.33 0.00 0.00 43.42 39.86 1kld n LEU 2 CO 0.00 1.73 -0.08 -0.90 -1.33 0.00 0.00 177.39 176.81 1kld n ASP 3 N 1.31 2.44 -0.08 -1.43 5.68 -1.26 -1.90 116.55 121.31 1kld n ASP 3 Ca 0.26 -1.76 0.04 0.00 -0.50 0.00 0.00 54.79 52.83 1kld n ASP 3 Cb 0.34 0.11 0.19 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.46 0.05 -0.13 2.12 -2.24 -1.26 -2.58 114.28 109.77 1kld n THR 4 Ca -0.07 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 1kld n THR 4 Cb 0.22 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.46 1.96 0.14 3.42 5.15 -1.26 -4.10 115.26 120.10 1kld n ASN 5 Ca 0.06 0.14 0.12 0.00 -0.60 0.00 0.00 54.58 54.30 1kld n ASN 5 Cb 0.06 -0.64 0.14 0.00 -0.53 0.00 0.00 39.78 38.81 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 -0.58 0.00 0.00 1.20 3.20 -1.83 -3.25 116.97 115.71 1kld h TYR 6 Ca -0.64 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.23 1kld h TYR 6 Cb 1.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.98 1kld h TYR 6 CO -0.04 0.00 -0.26 0.00 -1.64 0.00 0.00 178.16 176.22 1kld n PHE 8 N -1.95 0.00 -0.07 0.00 3.01 -1.22 -4.25 117.46 112.97 1kld n PHE 8 Ca 0.05 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.42 1kld n PHE 8 Cb 0.40 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.62 1.80 -4.59 4.37 3.41 -1.20 -5.03 113.62 111.76 1kld n SER 9 Ca 0.16 0.30 -0.24 0.00 -0.26 0.00 0.00 58.87 58.82 1kld n SER 9 Cb 0.30 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1kld n SER 9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kld s SER 10 N -6.05 4.28 -0.10 4.04 1.04 -1.22 -5.03 113.70 110.65 1kld s SER 10 Ca -0.25 -0.70 0.19 0.00 0.48 0.00 0.00 55.95 55.67 1kld s SER 10 Cb 0.04 -0.71 -0.27 0.00 0.10 0.00 0.00 66.02 65.19 1kld s SER 10 CO 0.37 0.04 0.31 0.35 0.98 0.00 0.00 173.24 175.29 1kld n THR 11 N -0.57 0.85 -0.21 2.02 -2.24 -1.26 -4.58 114.28 108.30 1kld n THR 11 Ca -0.07 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1kld n THR 11 Cb 0.58 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1kld n THR 11 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1kld n GLU 12 N -2.59 0.00 -2.13 -0.78 0.28 -1.26 -4.48 120.64 109.69 1kld n GLU 12 Ca -0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.79 1kld n GLU 12 Cb 0.90 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.82 1kld n GLU 12 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1kld n LYS 13 N -0.04 1.47 -4.07 3.44 3.00 -1.26 -5.08 118.16 115.63 1kld n LYS 13 Ca 0.00 -3.14 -0.20 0.00 -0.00 0.00 0.00 58.31 54.97 1kld n LYS 13 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 35.03 33.74 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 -0.33 0.30 -4.51 3.14 4.13 -1.26 -4.40 115.26 112.33 1kld n ASN 14 Ca 0.13 -2.94 -0.34 0.00 1.68 0.00 0.00 54.58 53.10 1kld n ASN 14 Cb 0.92 1.20 -0.14 0.00 -1.54 0.00 0.00 39.78 40.22 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 1.95 2.80 0.14 0.00 0.11 -1.26 -3.09 120.40 121.06 1kld s VAL 17 Ca 0.04 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 1kld s VAL 17 Cb -0.13 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 1kld s VAL 17 CO -0.06 -0.00 0.20 -0.13 -3.33 0.00 0.00 175.10 171.78 1kld s ARG 18 N 3.70 3.19 0.43 1.54 0.52 -0.32 -4.65 118.95 123.36 1kld s ARG 18 Ca 0.85 -0.69 -0.26 0.00 -0.52 0.00 0.00 55.73 55.11 1kld s ARG 18 Cb -0.44 -2.84 -0.09 0.00 0.52 0.00 0.00 34.95 32.10 1kld s ARG 18 CO 0.39 0.52 1.44 0.00 0.02 0.00 0.00 175.30 177.67 1kld n GLN 19 N -0.30 2.33 -2.70 3.54 10.64 -1.26 -2.72 117.38 126.91 1kld n GLN 19 Ca -0.07 0.83 -0.06 0.00 -1.83 0.00 0.00 57.00 55.87 1kld n GLN 19 Cb 0.54 -2.62 0.10 0.00 -0.86 0.00 0.00 30.24 27.39 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 -0.02 -0.93 -4.52 2.61 7.94 -1.26 -4.80 117.00 116.02 1kld n LEU 20 Ca 0.04 -3.41 -0.44 0.00 -1.11 0.00 0.00 56.01 51.09 1kld n LEU 20 Cb 0.41 0.15 -0.01 0.00 0.53 0.00 0.00 43.42 44.49 1kld n LEU 20 CO 0.60 1.73 0.34 0.00 -1.11 0.00 0.00 177.39 178.95 1kld n TYR 21 N -0.73 0.51 -3.81 1.96 4.19 -1.26 -3.12 117.16 114.90 1kld n TYR 21 Ca -0.04 0.71 -0.26 0.00 3.31 0.00 0.00 57.90 61.62 1kld n TYR 21 Cb 0.85 -2.13 -0.17 0.00 0.49 0.00 0.00 39.34 38.38 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 -1.17 0.69 -0.76 2.97 1.01 -0.73 -4.85 121.20 118.37 1kld s ILE 22 Ca 0.61 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 1kld s ILE 22 Cb -0.70 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 40.87 1kld s ILE 22 CO 0.59 0.08 1.15 -0.62 0.00 0.00 0.00 174.94 176.14 1kld s ASP 23 N 1.81 6.25 0.00 3.58 2.15 -1.26 -2.23 116.67 126.97 1kld s ASP 23 Ca 0.02 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.06 1kld s ASP 23 Cb -0.15 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1kld s ASP 23 CO -0.07 -1.57 0.00 0.49 -0.17 0.00 0.00 175.17 173.85 1kld n PHE 24 N 8.38 0.00 0.05 -5.34 3.72 -0.37 0.20 117.46 124.09 1kld n PHE 24 Ca 0.05 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.25 1kld n PHE 24 Cb 0.48 -0.26 -0.14 0.00 -0.94 0.00 0.00 39.48 38.61 1kld n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kld h ARG 25 N 0.00 0.31 -0.19 -1.08 -0.00 -1.76 0.52 114.38 112.18 1kld h ARG 25 Ca 0.00 -0.53 -0.00 0.00 -0.50 0.00 0.00 59.98 58.95 1kld h ARG 25 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.16 1kld h ARG 25 CO 0.00 1.20 0.10 -0.22 0.00 0.00 0.00 179.97 181.06 1kld h LYS 26 N 0.08 0.27 0.00 0.04 3.64 0.20 -0.52 116.57 120.28 1kld h LYS 26 Ca -0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1kld h LYS 26 Cb 2.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 1kld h LYS 26 CO 0.14 0.26 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.81 1kld h ASP 27 N 0.20 0.00 0.77 4.20 3.32 -1.38 -3.41 116.42 120.12 1kld h ASP 27 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1kld h ASP 27 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1kld h ASP 27 CO -0.01 0.54 -0.58 0.18 -1.72 0.00 0.00 179.24 177.65 1kld n LEU 28 N -4.01 0.62 -0.36 1.55 4.77 -1.07 -4.91 117.00 113.59 1kld n LEU 28 Ca -0.05 0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 1kld n LEU 28 Cb 0.17 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1kld n LEU 28 CO 0.07 -0.01 -0.04 0.61 -1.33 0.00 0.00 177.39 176.69 1kld n GLY 29 N 1.38 0.54 3.66 -0.72 0.00 0.16 -4.85 105.19 105.37 1kld n GLY 29 Ca 0.04 -0.06 -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 -2.28 1.73 0.58 1.61 7.02 0.07 -4.75 117.44 121.41 1kld n TRP 30 Ca -0.05 0.71 0.07 0.00 -1.02 0.00 0.00 57.50 57.21 1kld n TRP 30 Cb 0.45 -2.35 -0.09 0.00 -2.42 0.00 0.00 31.31 26.89 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 4.02 1.75 -0.10 -0.99 5.02 -1.26 -4.30 118.16 122.30 1kld n LYS 31 Ca 0.24 -0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.54 1kld n LYS 31 Cb 0.11 -1.24 0.08 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.48 0.25 -4.06 2.13 4.27 -1.26 -4.74 117.44 112.55 1kld n TRP 32 Ca 0.02 -0.12 -0.19 0.00 -3.89 0.00 0.00 57.50 53.31 1kld n TRP 32 Cb 0.27 -0.01 -0.16 0.00 -1.36 0.00 0.00 31.31 30.04 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 -1.74 0.42 -0.21 -1.67 1.01 -1.26 -4.32 121.20 113.43 1kld s ILE 33 Ca 0.12 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 1kld s ILE 33 Cb 0.06 -0.48 -0.11 0.00 0.01 0.00 0.00 42.46 41.94 1kld s ILE 33 CO 0.08 0.21 -0.14 1.57 0.00 0.00 0.00 174.94 176.66 1kld n HIS 34 N 4.19 0.54 -4.23 3.97 -0.00 -0.34 -4.96 115.22 114.39 1kld n HIS 34 Ca -0.23 0.23 -0.19 0.00 -0.00 0.00 0.00 57.72 57.53 1kld n HIS 34 Cb 0.51 -0.88 -0.12 0.00 -0.00 0.00 0.00 29.99 29.50 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 -2.48 0.98 0.85 1.57 2.02 -1.06 -4.14 118.70 116.44 1kld s GLU 35 Ca -0.28 -1.15 -0.12 0.00 0.02 0.00 0.00 54.97 53.44 1kld s GLU 35 Cb 0.07 -0.96 0.10 0.00 0.10 0.00 0.00 34.13 33.44 1kld s GLU 35 CO 0.44 0.20 1.14 -1.25 0.02 0.00 0.00 175.26 175.81 1kld s PRO 36 N -2.30 1.68 0.33 0.39 0.04 -1.26 -0.17 135.00 133.71 1kld s PRO 36 Ca 0.06 0.33 0.02 0.00 0.04 0.00 0.00 61.00 61.45 1kld s PRO 36 Cb -0.07 -1.90 0.61 0.00 0.04 0.00 0.00 34.50 33.18 1kld s PRO 36 CO 0.03 -1.84 1.96 0.87 0.04 0.00 0.00 177.00 178.06 1kld h LYS 37 N -1.24 0.89 0.00 4.56 1.57 -1.97 -3.45 116.57 116.94 1kld h LYS 37 Ca -0.48 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1kld h LYS 37 Cb 1.31 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1kld h LYS 37 CO 0.63 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 180.50 1kld n GLY 38 N -1.43 2.09 3.67 3.86 0.00 -1.26 -1.24 105.19 110.89 1kld n GLY 38 Ca 0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 -6.12 -0.13 -1.20 1.61 1.13 -0.95 -4.86 117.35 106.84 1kld s TYR 39 Ca 0.00 -0.07 -0.17 0.00 -1.41 0.00 0.00 57.07 55.42 1kld s TYR 39 Cb 0.00 0.59 0.10 0.00 -1.10 0.00 0.00 41.96 41.55 1kld s TYR 39 CO 0.00 -0.57 1.55 -1.01 -2.51 0.00 0.00 175.55 173.01 1kld s HIS 40 N -2.93 3.00 0.12 -3.49 3.76 -1.26 -1.77 115.29 112.73 1kld s HIS 40 Ca 0.12 -1.66 -0.14 0.00 -0.15 0.00 0.00 55.06 53.23 1kld s HIS 40 Cb 0.01 -4.57 -0.03 0.00 1.11 0.00 0.00 32.58 29.10 1kld s HIS 40 CO -0.02 -1.67 1.53 0.00 -0.85 0.00 0.00 174.74 173.73 1kld h ALA 41 N 7.87 0.54 -2.46 -1.40 0.00 -1.88 -3.38 119.26 118.56 1kld h ALA 41 Ca 0.35 -0.32 0.26 0.00 0.00 0.00 0.00 54.91 55.20 1kld h ALA 41 Cb 0.90 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1kld h ALA 41 CO 1.35 0.41 -0.35 0.09 0.00 0.00 0.00 179.25 180.75 1kld n ASN 42 N -4.34 -6.65 0.00 0.00 3.02 -1.18 -2.35 115.26 103.76 1kld n ASN 42 Ca -0.01 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1kld n ASN 42 Cb 0.36 -2.93 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 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 -3.29 0.00 -4.03 3.10 -1.74 -1.10 -4.69 117.46 105.71 1kld n PHE 43 Ca 0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.82 1kld n PHE 43 Cb 0.44 0.00 -0.10 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 -2.36 0.82 0.00 0.00 1.43 -1.18 -4.85 118.68 112.54 1kld s LEU 45 Ca -0.02 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1kld s LEU 45 Cb 0.01 1.33 0.00 0.00 0.03 0.00 0.00 46.19 47.57 1kld s LEU 45 CO -0.07 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.61 1kld n GLY 46 N 0.99 2.32 0.20 -3.19 0.00 -1.26 -2.86 105.19 101.38 1kld n GLY 46 Ca -0.20 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.23 -3.61 1.61 -0.04 -1.26 -3.54 135.00 129.69 1kld n PRO 47 Ca 0.00 -0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.20 1kld n PRO 47 Cb 0.00 -0.08 -0.14 0.00 -0.04 0.00 0.00 33.50 33.25 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 5.34 3.08 0.00 0.00 -0.04 -1.26 -4.52 135.00 137.60 1kld n PRO 49 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 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 2.48 -0.04 0.00 0.00 175.50 177.94 1kld n TYR 50 N 0.00 0.00 -0.29 0.54 4.11 -1.26 -4.39 117.16 115.87 1kld n TYR 50 Ca 0.00 0.00 0.32 0.00 -0.00 0.00 0.00 57.90 58.22 1kld n TYR 50 Cb 0.00 0.00 0.49 0.00 -0.00 0.00 0.00 39.34 39.83 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 -0.49 0.00 -1.56 -3.48 -5.35 -1.26 -4.09 119.36 103.13 1kld n ILE 51 Ca 0.00 1.29 -0.13 0.00 -0.27 0.00 0.00 62.75 63.64 1kld n ILE 51 Cb 0.00 -2.28 -0.08 0.00 -1.74 0.00 0.00 39.64 35.53 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 -3.34 1.10 -0.73 4.28 -0.00 -1.26 -4.41 117.44 113.08 1kld n TRP 52 Ca 0.27 -0.05 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 1kld n TRP 52 Cb 1.61 -2.61 0.00 0.00 -0.00 0.00 0.00 31.31 30.31 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 18.97 -0.73 -4.72 5.87 2.88 -1.26 -4.76 113.62 129.86 1kld n SER 53 Ca 0.46 0.05 -0.38 0.00 -1.33 0.00 0.00 58.87 57.67 1kld n SER 53 Cb 0.44 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.09 4.28 -0.07 2.46 1.43 -1.26 -4.06 118.68 121.36 1kld s LEU 54 Ca 0.00 0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 53.92 1kld s LEU 54 Cb 0.00 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1kld s LEU 54 CO 0.00 -0.01 -0.07 -0.78 0.23 0.00 0.00 176.35 175.72 1kld h ASP 55 N 6.68 0.00 -1.99 2.29 1.82 -1.88 -3.48 116.42 119.86 1kld h ASP 55 Ca -0.41 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 55.77 1kld h ASP 55 Cb 1.18 0.00 0.05 0.00 0.68 0.00 0.00 39.33 41.24 1kld h ASP 55 CO 0.75 0.38 -0.02 0.42 -1.61 0.00 0.00 179.24 179.16 1kld s THR 56 N -1.59 2.44 0.08 2.25 -4.23 -1.26 -5.01 115.64 108.32 1kld s THR 56 Ca -0.06 -0.73 -0.13 0.00 -1.18 0.00 0.00 61.69 59.59 1kld s THR 56 Cb 0.01 -2.71 -0.24 0.00 1.34 0.00 0.00 72.50 70.90 1kld s THR 56 CO 0.09 0.00 1.19 1.56 -0.54 0.00 0.00 174.62 176.92 1kld h GLN 57 N -0.05 0.66 -0.54 3.99 1.08 -1.96 -3.13 115.11 115.16 1kld h GLN 57 Ca -0.38 -0.74 0.05 0.00 -1.45 0.00 0.00 58.65 56.14 1kld h GLN 57 Cb 1.28 0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.90 1kld h GLN 57 CO 0.45 1.32 0.36 -0.92 -0.95 0.00 0.00 178.83 179.09 1kld h TYR 58 N 0.36 0.53 -0.47 2.96 3.20 -1.98 0.33 116.97 121.90 1kld h TYR 58 Ca -0.14 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.79 1kld h TYR 58 Cb 1.73 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 1kld h TYR 58 CO 0.10 0.29 0.31 0.66 -1.64 0.00 0.00 178.16 177.88 1kld h SER 59 N 0.53 0.42 0.22 -2.11 4.64 -1.84 -0.02 113.55 115.39 1kld h SER 59 Ca 0.23 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 1kld h SER 59 Cb 0.24 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1kld h SER 59 CO -0.06 0.29 -0.70 0.50 -0.87 0.00 0.00 176.83 175.98 1kld h LYS 60 N 0.49 0.43 0.00 4.77 3.64 -1.02 -1.88 116.57 123.00 1kld h LYS 60 Ca 0.19 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1kld h LYS 60 Cb 0.16 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1kld h LYS 60 CO -0.05 0.97 0.00 0.28 -2.27 0.00 0.00 179.45 178.38 1kld n VAL 61 N -3.86 0.00 -0.57 2.00 0.31 -0.18 -3.18 118.33 112.85 1kld n VAL 61 Ca -0.04 0.59 0.47 0.00 -0.01 0.00 0.00 64.34 65.34 1kld n VAL 61 Cb 0.69 -1.18 0.80 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.01 -0.04 7.52 5.85 -1.28 0.31 115.31 127.67 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 40.99 1kld h LEU 62 CO 0.00 -0.01 -0.26 0.00 -0.34 0.00 0.00 178.44 177.84 1kld h ALA 63 N 1.16 -0.32 -0.13 1.25 0.00 -1.34 -1.42 119.26 118.46 1kld h ALA 63 Ca 0.81 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.58 1kld h ALA 63 Cb 3.24 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 21.49 1kld h ALA 63 CO -0.02 -0.75 -0.59 -0.07 0.00 0.00 0.00 179.25 177.82 1kld h LEU 64 N -0.37 0.47 -1.74 0.00 3.38 -0.39 -1.80 115.31 114.86 1kld h LEU 64 Ca 0.07 -0.26 0.32 0.00 0.09 0.00 0.00 57.88 58.11 1kld h LEU 64 Cb 0.48 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1kld h LEU 64 CO -0.25 0.95 0.79 0.22 0.09 0.00 0.00 178.44 180.24 1kld h TYR 65 N 0.31 0.26 0.00 1.13 5.03 -0.28 0.14 116.97 123.57 1kld h TYR 65 Ca -0.00 0.01 -0.36 0.00 2.58 0.00 0.00 58.73 60.96 1kld h TYR 65 Cb 1.12 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 39.27 1kld h TYR 65 CO 0.04 0.01 -1.97 -1.71 -1.32 0.00 0.00 178.16 173.21 1kld n ASN 66 N -4.36 1.92 0.20 -2.11 5.15 -0.75 -3.67 115.26 111.64 1kld n ASN 66 Ca 0.26 0.35 0.08 0.00 -0.60 0.00 0.00 54.58 54.68 1kld n ASN 66 Cb 1.14 -0.87 0.45 0.00 -0.53 0.00 0.00 39.78 39.96 1kld n ASN 66 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1kld h GLN 67 N -0.93 0.00 0.07 1.20 1.08 -0.57 0.36 115.11 116.33 1kld h GLN 67 Ca -0.54 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.32 1kld h GLN 67 Cb 1.51 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.91 1kld h GLN 67 CO -0.30 0.00 -1.93 0.72 -0.95 0.00 0.00 178.83 176.37 1kld n HIS 68 N -2.21 0.97 -3.55 2.96 8.25 0.42 -4.77 115.22 117.28 1kld n HIS 68 Ca -0.01 0.25 -0.41 0.00 -0.26 0.00 0.00 57.72 57.29 1kld n HIS 68 Cb 0.32 -1.12 -0.11 0.00 1.12 0.00 0.00 29.99 30.21 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 -6.96 5.84 -0.36 0.41 -0.87 0.12 -5.04 114.94 108.07 1kld s ASN 69 Ca -0.27 -1.05 -0.29 0.00 -1.57 0.00 0.00 52.86 49.68 1kld s ASN 69 Cb 0.07 -2.06 0.01 0.00 -0.02 0.00 0.00 41.25 39.25 1kld s ASN 69 CO 0.69 -0.44 1.24 -2.16 -2.57 0.00 0.00 177.10 173.86 1kld s PRO 70 N 1.57 3.86 0.00 -0.60 0.04 -1.26 -3.18 135.00 135.43 1kld s PRO 70 Ca 0.03 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1kld s PRO 70 Cb -0.20 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1kld s PRO 70 CO 0.07 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1kld n GLY 71 N 4.44 1.11 3.64 0.56 0.00 -1.26 -5.10 105.19 108.59 1kld n GLY 71 Ca 0.14 0.00 -0.39 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 -1.98 3.56 -0.52 4.61 0.00 -1.19 -4.95 121.76 121.29 1kld s ALA 72 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1kld s ALA 72 Cb 0.00 -2.78 0.22 0.00 0.00 0.00 0.00 23.12 20.56 1kld s ALA 72 CO 0.00 -0.53 2.30 0.43 0.00 0.00 0.00 175.76 177.96 1kld n SER 73 N 5.02 6.88 -0.06 0.00 7.64 -1.26 -4.20 113.62 127.64 1kld n SER 73 Ca -0.06 -3.38 0.04 0.00 1.01 0.00 0.00 58.87 56.49 1kld n SER 73 Cb 0.50 -1.11 0.06 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.16 2.12 -0.61 -0.43 0.00 -1.26 -5.05 120.51 115.45 1kld n ALA 74 Ca 0.47 -1.66 -0.07 0.00 0.00 0.00 0.00 53.44 52.17 1kld n ALA 74 Cb 0.52 -0.17 0.12 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.84 -2.20 -1.00 0.00 0.00 -1.26 -4.95 120.51 110.26 1kld n ALA 75 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1kld n ALA 75 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.91 1.07 -3.43 0.00 -0.04 -1.26 -5.01 135.00 124.42 1kld n PRO 76 Ca 0.06 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 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 0.51 0.00 -2.59 0.00 0.24 -1.15 -4.72 118.33 110.62 1kld n VAL 79 Ca 0.07 -1.62 -0.41 0.00 -2.04 0.00 0.00 64.34 60.33 1kld n VAL 79 Cb 0.34 0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 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 -2.80 3.20 0.00 7.34 0.04 -1.26 0.27 135.00 141.79 1kld s PRO 80 Ca 0.27 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1kld s PRO 80 Cb -0.00 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1kld s PRO 80 CO 0.19 -2.07 0.38 0.94 0.04 0.00 0.00 177.00 176.48 1kld n GLN 81 N 9.11 0.00 -3.16 4.56 0.00 0.69 -4.70 117.38 123.87 1kld n GLN 81 Ca 0.03 0.45 -0.40 0.00 -0.00 0.00 0.00 57.00 57.08 1kld n GLN 81 Cb 0.49 -1.15 -0.06 0.00 0.00 0.00 0.00 30.24 29.51 1kld n GLN 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kld s ALA 82 N -3.02 3.52 0.00 1.69 0.00 -1.00 -5.01 121.76 117.94 1kld s ALA 82 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1kld s ALA 82 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1kld s ALA 82 CO 0.00 -0.45 0.00 1.28 0.00 0.00 0.00 175.76 176.59 1kld n LEU 83 N 4.77 0.00 -3.63 0.00 4.77 -1.26 -1.21 117.00 120.45 1kld n LEU 83 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1kld n LEU 83 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1kld n LEU 83 CO 0.44 -0.17 0.19 -1.61 -1.33 0.00 0.00 177.39 174.90 1kld s GLU 84 N -0.72 1.02 0.00 3.23 0.41 -0.80 -4.73 118.70 117.11 1kld s GLU 84 Ca 0.00 -0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.06 1kld s GLU 84 Cb 0.00 0.45 0.00 0.00 -1.78 0.00 0.00 34.13 32.80 1kld s GLU 84 CO 0.00 -0.38 0.00 -0.35 -0.49 0.00 0.00 175.26 174.04 1kld n PRO 85 N 0.13 0.08 -3.15 0.39 -0.04 -1.26 0.52 135.00 131.67 1kld n PRO 85 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1kld n PRO 85 Cb 0.62 0.00 -0.01 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 -1.08 -0.48 1.53 2.96 0.14 -4.46 118.68 117.29 1kld s LEU 86 Ca 0.00 0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 54.21 1kld s LEU 86 Cb 0.00 1.87 0.01 0.00 0.50 0.00 0.00 46.19 48.57 1kld s LEU 86 CO 0.00 -0.20 1.43 -2.16 -1.32 0.00 0.00 176.35 174.09 1kld s PRO 87 N 2.89 3.43 0.00 0.98 0.04 -1.26 0.35 135.00 141.43 1kld s PRO 87 Ca 0.13 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1kld s PRO 87 Cb -0.12 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1kld s PRO 87 CO -0.19 -1.76 0.00 0.44 0.04 0.00 0.00 177.00 175.54 1kld n ILE 88 N 7.00 0.00 -3.17 0.56 -5.35 -0.68 -4.24 119.36 113.48 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 0.49 -0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.29 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 0.93 -0.85 0.05 7.28 1.01 0.76 -2.86 120.40 126.72 1kld s VAL 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1kld s VAL 89 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 1kld s VAL 89 CO 0.00 0.00 0.01 0.00 0.00 0.00 0.00 175.10 175.11 1kld n TYR 90 N 5.44 0.09 -4.39 5.22 0.18 -0.73 -1.19 117.16 121.77 1kld n TYR 90 Ca -0.03 -0.27 -0.22 0.00 1.88 0.00 0.00 57.90 59.27 1kld n TYR 90 Cb 0.52 -0.02 -0.16 0.00 -0.38 0.00 0.00 39.34 39.29 1kld n TYR 90 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1kld s TYR 91 N -1.36 1.08 -0.71 -3.48 1.51 -1.26 -1.60 117.35 111.52 1kld s TYR 91 Ca 0.01 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 1kld s TYR 91 Cb 0.00 -0.83 0.19 0.00 -0.11 0.00 0.00 41.96 41.20 1kld s TYR 91 CO 0.01 -0.21 0.62 0.08 -1.11 0.00 0.00 175.55 174.93 1kld s VAL 92 N 0.68 4.97 0.00 0.71 1.01 -0.60 -4.81 120.40 122.36 1kld s VAL 92 Ca -0.12 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 59.44 1kld s VAL 92 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.11 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 4.08 2.22 0.00 4.51 0.00 -1.26 -2.93 105.19 111.81 1kld n GLY 93 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.73 1.61 5.12 -1.26 -5.08 116.66 113.32 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 -0.07 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 4.04 0.26 5.56 1.02 -1.15 -5.07 119.74 124.41 1kld s LYS 95 Ca 0.00 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 1kld s LYS 95 Cb 0.00 -3.37 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 1kld s LYS 95 CO 0.00 0.40 1.01 -1.25 -0.92 0.00 0.00 175.35 174.58 1kld s PRO 96 N 0.07 4.75 -0.10 -1.68 0.04 -1.26 -1.56 135.00 135.25 1kld s PRO 96 Ca 0.11 1.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 1kld s PRO 96 Cb -0.12 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1kld s PRO 96 CO 0.00 0.37 0.21 0.15 0.04 0.00 0.00 177.00 177.78 1kld s LYS 97 N -1.34 0.10 -0.16 4.56 1.02 -0.63 -4.95 119.74 118.35 1kld s LYS 97 Ca 0.43 0.63 -0.15 0.00 0.02 0.00 0.00 55.97 56.91 1kld s LYS 97 Cb -0.28 -0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 1kld s LYS 97 CO 0.36 -0.28 0.32 0.08 -0.92 0.00 0.00 175.35 174.91 1kld s VAL 98 N 2.19 5.29 0.00 3.17 1.01 -1.26 -1.77 120.40 129.02 1kld s VAL 98 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1kld s VAL 98 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1kld s VAL 98 CO -0.07 0.37 0.00 1.21 0.00 0.00 0.00 175.10 176.61 1kld n GLU 99 N 3.63 1.68 -3.24 2.72 0.00 -1.13 -4.96 120.64 119.35 1kld n GLU 99 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.86 1kld n GLU 99 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.89 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 0.51 0.86 0.41 5.31 1.11 -1.25 -1.69 119.66 124.92 1kld s GLN 100 Ca 0.00 -1.51 -0.22 0.00 0.01 0.00 0.00 55.36 53.64 1kld s GLN 100 Cb 0.00 -0.91 -0.14 0.00 -1.01 0.00 0.00 33.01 30.95 1kld s GLN 100 CO 0.00 -1.32 0.39 1.28 0.01 0.00 0.00 175.29 175.65 1kld n LEU 101 N 3.29 -1.02 -4.86 2.90 4.77 0.15 -4.24 117.00 118.00 1kld n LEU 101 Ca 0.21 0.88 -0.35 0.00 -0.03 0.00 0.00 56.01 56.72 1kld n LEU 101 Cb 0.48 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1kld n LEU 101 CO 0.06 -3.34 -0.19 -0.94 -1.33 0.00 0.00 177.39 171.65 1kld s SER 102 N -0.97 6.20 -1.18 -1.43 1.04 -1.26 0.27 113.70 116.36 1kld s SER 102 Ca 0.62 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.36 1kld s SER 102 Cb -0.62 -1.95 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1kld s SER 102 CO 0.59 0.35 0.34 0.59 0.98 0.00 0.00 173.24 176.09 1kld n ASN 103 N 1.63 -3.77 -1.46 7.02 4.13 -1.01 -4.79 115.26 117.01 1kld n ASN 103 Ca -0.17 -0.19 0.05 0.00 1.68 0.00 0.00 54.58 55.96 1kld n ASN 103 Cb 0.54 -3.15 0.29 0.00 -1.54 0.00 0.00 39.78 35.92 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 -3.43 3.67 -3.93 3.52 1.56 0.18 -4.65 117.12 114.05 1kld n MET 104 Ca -0.06 -2.25 -0.09 0.00 -0.27 0.00 0.00 57.70 55.03 1kld n MET 104 Cb 0.56 -1.99 -0.07 0.00 2.15 0.00 0.00 33.22 33.87 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 -2.17 0.09 -0.00 1.12 1.01 -0.45 -4.81 121.20 115.99 1kld s ILE 105 Ca 0.39 -1.32 0.06 0.00 0.00 0.00 0.00 60.65 59.78 1kld s ILE 105 Cb 0.29 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1kld s ILE 105 CO 0.13 -0.43 -0.18 -0.69 0.00 0.00 0.00 174.94 173.77 1kld s VAL 106 N -3.93 2.76 0.00 2.92 1.01 -0.99 -1.91 120.40 120.26 1kld s VAL 106 Ca 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1kld s VAL 106 Cb 0.04 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1kld s VAL 106 CO -0.04 0.47 0.67 -1.14 0.00 0.00 0.00 175.10 175.06 1kld n ARG 107 N 1.98 0.00 0.00 2.72 3.00 -0.35 -4.86 116.66 119.15 1kld n ARG 107 Ca -0.16 -0.67 0.00 0.00 -0.00 0.00 0.00 57.85 57.01 1kld n ARG 107 Cb 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.48 1kld n ARG 107 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1kld n SER 108 N 0.00 0.00 -1.92 6.15 3.41 -1.23 -4.51 113.62 115.52 1kld n SER 108 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1kld n SER 108 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1kld n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kld n LYS 110 N -0.93 0.00 -3.30 0.00 2.85 0.14 -4.21 118.16 112.72 1kld n LYS 110 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1kld n LYS 110 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35