#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krb n SER 16 N 0.00 1.45 -4.16 -2.24 7.64 -1.26 -4.36 113.62 110.70 2krb n SER 16 Ca 0.00 -1.52 -0.10 0.00 1.01 0.00 0.00 58.87 58.26 2krb n SER 16 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2krb n SER 16 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2krb s VAL 17 N -0.52 0.15 0.10 0.44 -7.23 -1.26 -2.53 120.40 109.54 2krb s VAL 17 Ca 0.00 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2krb s VAL 17 Cb 0.00 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2krb s VAL 17 CO 0.00 -0.47 -0.11 0.27 -0.31 0.00 0.00 175.10 174.48 2krb s ILE 18 N -4.01 1.02 0.01 -0.62 -4.36 0.16 -4.80 121.20 108.61 2krb s ILE 18 Ca 0.24 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2krb s ILE 18 Cb 0.07 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 2krb s ILE 18 CO 0.02 -0.50 -0.01 -0.69 0.24 0.00 0.00 174.94 174.00 2krb s VAL 19 N -2.25 0.06 0.13 8.37 1.01 0.32 -1.98 120.40 126.07 2krb s VAL 19 Ca 0.05 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2krb s VAL 19 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 2krb s VAL 19 CO 0.01 -0.24 -0.20 0.68 0.00 0.00 0.00 175.10 175.36 2krb s VAL 20 N -0.69 1.78 0.25 2.92 -7.23 -1.21 -0.61 120.40 115.61 2krb s VAL 20 Ca -0.08 -1.74 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 2krb s VAL 20 Cb -0.05 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2krb s VAL 20 CO -0.00 -0.19 -0.06 -0.62 -0.31 0.00 0.00 175.10 173.92 2krb s ASP 21 N -2.30 2.52 -1.55 4.85 2.15 -1.20 -3.28 116.67 117.87 2krb s ASP 21 Ca 0.11 -1.16 -0.05 0.00 0.43 0.00 0.00 52.55 51.88 2krb s ASP 21 Cb -0.08 -0.12 0.01 0.00 -0.30 0.00 0.00 42.92 42.42 2krb s ASP 21 CO 0.05 -0.35 0.62 0.59 -0.17 0.00 0.00 175.17 175.91 2krb n ASN 22 N -0.51 -6.14 -4.25 -0.34 3.02 -0.90 -3.26 115.26 102.89 2krb n ASN 22 Ca -0.06 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 2krb n ASN 22 Cb 0.63 -4.95 -0.03 0.00 -0.61 0.00 0.00 39.78 34.82 2krb n ASN 22 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2krb s VAL 23 N -3.18 5.30 0.73 2.41 0.11 -0.11 -4.79 120.40 120.87 2krb s VAL 23 Ca 0.31 -3.44 -0.12 0.00 -2.93 0.00 0.00 61.98 55.80 2krb s VAL 23 Cb -0.14 -4.23 0.04 0.00 -1.53 0.00 0.00 36.38 30.52 2krb s VAL 23 CO 0.38 -1.12 1.10 -2.16 -3.33 0.00 0.00 175.10 169.97 2krb s PRO 24 N -1.07 2.46 0.97 1.54 0.04 -1.26 -3.33 135.00 134.35 2krb s PRO 24 Ca 0.27 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 2krb s PRO 24 Cb -0.10 -1.92 0.17 0.00 0.04 0.00 0.00 34.50 32.70 2krb s PRO 24 CO -0.09 -1.50 1.11 1.14 0.04 0.00 0.00 177.00 177.70 2krb s GLN 25 N -4.64 0.63 0.18 4.56 1.03 -1.25 -4.96 119.66 115.21 2krb s GLN 25 Ca 0.63 0.40 -0.00 0.00 0.04 0.00 0.00 55.36 56.42 2krb s GLN 25 Cb -0.18 -1.77 -0.04 0.00 0.03 0.00 0.00 33.01 31.05 2krb s GLN 25 CO 0.51 -2.57 0.08 0.14 -2.54 0.00 0.00 175.29 170.91 2krb s VAL 26 N -3.09 0.20 0.70 3.63 -7.23 -1.26 -5.04 120.40 108.31 2krb s VAL 26 Ca 0.65 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 2krb s VAL 26 Cb -0.17 -2.31 0.17 0.00 0.56 0.00 0.00 36.38 34.63 2krb s VAL 26 CO 0.56 -0.22 0.67 0.61 -0.31 0.00 0.00 175.10 176.41 2krb n GLY 27 N -0.23 -2.43 3.53 2.32 0.00 -1.26 -4.48 105.19 102.64 2krb n GLY 27 Ca -0.02 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 2krb n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2krb s PRO 28 N -4.51 -0.57 0.00 1.61 0.04 -1.26 -1.70 135.00 128.62 2krb s PRO 28 Ca 0.42 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2krb s PRO 28 Cb -0.04 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2krb s PRO 28 CO 0.32 -3.50 0.00 -3.47 0.04 0.00 0.00 177.00 170.39 2krb n ASP 29 N -4.76 -4.00 0.00 6.66 2.03 -1.26 -4.49 116.55 110.73 2krb n ASP 29 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2krb n ASP 29 Cb 0.54 -2.83 0.00 0.00 -0.72 0.00 0.00 41.12 38.11 2krb n ASP 29 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2krb n ARG 30 N -0.24 0.22 -0.22 -0.67 0.63 -1.23 -4.93 116.66 110.23 2krb n ARG 30 Ca 0.00 0.00 0.24 0.00 -0.92 0.00 0.00 57.85 57.17 2krb n ARG 30 Cb 0.31 -0.29 0.62 0.00 0.45 0.00 0.00 32.46 33.54 2krb n ARG 30 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 2krb h LEU 31 N 0.00 0.21 -0.05 6.15 -0.00 -1.55 -1.64 115.31 118.43 2krb h LEU 31 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2krb h LEU 31 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2krb h LEU 31 CO 0.00 0.07 -0.02 -0.33 -0.00 0.00 0.00 178.44 178.17 2krb h GLU 32 N 0.20 0.10 -0.97 0.17 4.39 -1.91 -3.00 114.58 113.56 2krb h GLU 32 Ca 0.46 -0.04 0.29 0.00 0.34 0.00 0.00 59.36 60.41 2krb h GLU 32 Cb 1.46 -0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.96 2krb h GLU 32 CO -0.10 0.46 0.48 0.87 -1.16 0.00 0.00 179.01 179.55 2krb h LYS 33 N -0.27 0.30 -0.38 2.33 6.56 -1.66 0.12 116.57 123.57 2krb h LYS 33 Ca 0.01 -0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.65 2krb h LYS 33 Cb 0.43 -0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 31.93 2krb h LYS 33 CO 0.01 0.20 -0.40 1.25 -2.06 0.00 0.00 179.45 178.44 2krb h LEU 34 N 0.31 -1.33 0.00 2.94 6.46 -1.37 0.27 115.31 122.59 2krb h LEU 34 Ca 0.68 0.21 -0.24 0.00 -0.12 0.00 0.00 57.88 58.41 2krb h LEU 34 Cb 1.50 0.59 -0.04 0.00 -0.73 0.00 0.00 40.66 41.98 2krb h LEU 34 CO -0.62 -0.36 -1.23 0.50 -0.62 0.00 0.00 178.44 176.12 2krb h LYS 35 N -0.32 0.01 0.76 1.25 3.11 -1.49 -3.31 116.57 116.57 2krb h LYS 35 Ca 0.14 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.94 2krb h LYS 35 Cb 0.58 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2krb h LYS 35 CO -0.55 0.85 -0.37 -0.91 -2.81 0.00 0.00 179.45 175.66 2krb h ASN 36 N 0.00 -0.87 -0.88 4.20 -0.26 -0.30 -2.99 115.58 114.48 2krb h ASN 36 Ca -0.10 0.02 0.14 0.00 -0.56 0.00 0.00 56.30 55.80 2krb h ASN 36 Cb 1.85 0.22 -0.07 0.00 -1.06 0.00 0.00 38.32 39.27 2krb h ASN 36 CO 0.12 -0.60 0.57 -0.37 -1.06 0.00 0.00 177.43 176.09 2krb h VAL 37 N -1.07 0.84 -0.50 2.81 -1.51 -0.64 0.46 116.25 116.64 2krb h VAL 37 Ca -0.10 -0.23 0.10 0.00 -1.23 0.00 0.00 66.70 65.23 2krb h VAL 37 Cb 0.80 0.10 -0.10 0.00 -2.13 0.00 0.00 31.29 29.96 2krb h VAL 37 CO 0.17 0.12 -0.26 0.40 -1.23 0.00 0.00 177.57 176.78 2krb h ILE 38 N 0.68 0.29 -0.71 7.19 5.03 -1.62 0.22 117.51 128.58 2krb h ILE 38 Ca 0.44 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 65.12 2krb h ILE 38 Cb 0.70 0.29 -0.03 0.00 -3.03 0.00 0.00 36.82 34.75 2krb h ILE 38 CO -0.19 0.00 0.23 0.45 -0.68 0.00 0.00 178.15 177.95 2krb h HIS 39 N -0.14 1.13 0.05 1.37 3.86 -0.77 -1.67 115.15 118.98 2krb h HIS 39 Ca 0.22 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2krb h HIS 39 Cb 0.50 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2krb h HIS 39 CO -0.53 0.90 -0.03 0.87 0.86 0.00 0.00 177.93 180.00 2krb h LYS 40 N 1.06 -0.07 -0.77 2.45 6.56 -1.00 -1.89 116.57 122.91 2krb h LYS 40 Ca 0.23 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.83 2krb h LYS 40 Cb 0.29 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.93 2krb h LYS 40 CO -0.01 0.38 0.51 0.97 -2.06 0.00 0.00 179.45 179.24 2krb h ILE 41 N -0.55 1.20 -0.01 1.86 -0.00 -0.59 -2.53 117.51 116.90 2krb h ILE 41 Ca -0.01 -0.36 0.00 0.00 -0.00 0.00 0.00 64.86 64.49 2krb h ILE 41 Cb 0.48 0.06 0.00 0.00 -0.00 0.00 0.00 36.82 37.37 2krb h ILE 41 CO 0.01 0.19 -0.09 0.49 -0.00 0.00 0.00 178.15 178.76 2krb n PHE 42 N -4.54 0.00 0.19 2.19 3.72 -0.63 -3.87 117.46 114.51 2krb n PHE 42 Ca 0.08 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.52 2krb n PHE 42 Cb 0.02 -0.10 0.35 0.00 -0.94 0.00 0.00 39.48 38.80 2krb n PHE 42 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2krb h SER 43 N 1.01 0.00 0.58 4.37 0.02 -0.88 -3.06 113.55 115.59 2krb h SER 43 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2krb h SER 43 Cb 0.36 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2krb h SER 43 CO 0.00 0.39 -0.15 0.07 -1.14 0.00 0.00 176.83 176.00 2krb h LYS 44 N 0.00 0.00 0.00 3.45 2.10 -1.72 -2.94 116.57 117.46 2krb h LYS 44 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2krb h LYS 44 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 2krb h LYS 44 CO 0.05 0.15 -1.01 1.19 -2.00 0.00 0.00 179.45 177.83 2krb n PHE 45 N -3.51 0.43 0.00 0.07 3.72 -1.16 -5.08 117.46 111.94 2krb n PHE 45 Ca -0.01 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2krb n PHE 45 Cb 0.31 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2krb n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2krb n GLY 46 N 1.32 -0.22 2.97 1.37 0.00 -1.11 -4.81 105.19 104.71 2krb n GLY 46 Ca 0.01 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 2krb n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2krb s LYS 47 N -2.00 1.69 0.19 1.61 2.47 -1.26 -4.15 119.74 118.28 2krb s LYS 47 Ca 0.00 -0.35 -0.30 0.00 -1.56 0.00 0.00 55.97 53.76 2krb s LYS 47 Cb 0.00 -1.57 -0.08 0.00 -1.46 0.00 0.00 37.83 34.72 2krb s LYS 47 CO 0.00 -0.14 1.23 0.42 0.16 0.00 0.00 175.35 177.02 2krb s ILE 48 N 1.25 3.46 -0.05 5.43 1.09 -1.26 -4.43 121.20 126.68 2krb s ILE 48 Ca -0.03 1.22 0.08 0.00 -1.10 0.00 0.00 60.65 60.83 2krb s ILE 48 Cb -0.14 -3.78 -0.12 0.00 -1.06 0.00 0.00 42.46 37.36 2krb s ILE 48 CO -0.03 0.20 0.11 1.07 -0.10 0.00 0.00 174.94 176.18 2krb n THR 49 N 2.49 0.33 -4.58 2.92 5.66 -1.20 -5.02 114.28 114.87 2krb n THR 49 Ca 0.05 -0.30 -0.22 0.00 -3.05 0.00 0.00 64.05 60.53 2krb n THR 49 Cb 0.44 -0.31 -0.15 0.00 -1.55 0.00 0.00 70.33 68.76 2krb n THR 49 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2krb s ASN 50 N -3.62 1.54 -0.20 1.09 0.01 -0.83 -5.02 114.94 107.90 2krb s ASN 50 Ca -0.04 -0.24 -0.07 0.00 -0.71 0.00 0.00 52.86 51.80 2krb s ASN 50 Cb 0.04 -0.25 0.09 0.00 0.41 0.00 0.00 41.25 41.54 2krb s ASN 50 CO 0.37 0.14 0.44 1.51 -1.51 0.00 0.00 177.10 178.04 2krb s ASP 51 N -0.17 -0.35 -0.03 -1.22 1.47 -1.26 -1.80 116.67 113.31 2krb s ASP 51 Ca 0.03 1.03 0.01 0.00 1.18 0.00 0.00 52.55 54.80 2krb s ASP 51 Cb -0.06 1.35 0.02 0.00 -0.34 0.00 0.00 42.92 43.88 2krb s ASP 51 CO -0.00 -0.23 -0.05 -0.36 0.68 0.00 0.00 175.17 175.21 2krb s PHE 52 N 2.50 0.72 -0.63 2.11 0.08 0.34 -5.02 117.98 118.08 2krb s PHE 52 Ca -0.03 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 56.88 2krb s PHE 52 Cb -0.12 -0.61 0.16 0.00 -0.57 0.00 0.00 43.02 41.89 2krb s PHE 52 CO -0.13 -0.15 0.41 0.71 -0.10 0.00 0.00 175.22 175.96 2krb s TYR 53 N 0.66 3.32 1.00 0.36 1.51 -1.26 -1.27 117.35 121.66 2krb s TYR 53 Ca -0.09 -3.23 -0.12 0.00 -1.01 0.00 0.00 57.07 52.62 2krb s TYR 53 Cb -0.12 -2.65 0.19 0.00 -0.11 0.00 0.00 41.96 39.26 2krb s TYR 53 CO 0.00 -0.62 1.09 -1.25 -1.11 0.00 0.00 175.55 173.66 2krb s PRO 54 N -1.00 0.45 0.26 -1.71 0.04 -1.26 -5.09 135.00 126.68 2krb s PRO 54 Ca 0.22 0.63 -0.03 0.00 0.04 0.00 0.00 61.00 61.86 2krb s PRO 54 Cb -0.11 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2krb s PRO 54 CO -0.11 -2.75 0.31 -1.21 0.04 0.00 0.00 177.00 173.28 2krb s GLU 55 N -4.90 1.50 -0.31 4.56 2.02 -1.26 -4.59 118.70 115.71 2krb s GLU 55 Ca 0.65 -1.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.02 2krb s GLU 55 Cb -0.19 0.36 0.05 0.00 0.10 0.00 0.00 34.13 34.46 2krb s GLU 55 CO 0.58 -0.57 0.03 -1.83 0.02 0.00 0.00 175.26 173.50 2krb s GLU 56 N -3.83 2.40 -1.33 1.61 -1.05 -1.20 -4.71 118.70 110.60 2krb s GLU 56 Ca 0.33 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.84 2krb s GLU 56 Cb 0.03 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.48 2krb s GLU 56 CO 0.15 -0.67 0.00 -3.47 0.95 0.00 0.00 175.26 172.22 2krb n ASP 57 N 4.63 -4.53 -0.07 0.83 -0.08 -1.26 -0.19 116.55 115.89 2krb n ASP 57 Ca -0.12 0.15 -0.01 0.00 -1.51 0.00 0.00 54.79 53.30 2krb n ASP 57 Cb 0.43 -3.84 -0.00 0.00 2.34 0.00 0.00 41.12 40.05 2krb n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krb n GLY 58 N -0.82 0.48 3.92 0.27 0.00 -1.26 -5.04 105.19 102.74 2krb n GLY 58 Ca -0.18 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2krb n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krb s LYS 59 N -0.83 2.23 -0.20 1.61 1.02 0.74 -5.06 119.74 119.25 2krb s LYS 59 Ca 0.00 -2.05 -0.35 0.00 0.02 0.00 0.00 55.97 53.58 2krb s LYS 59 Cb 0.00 -2.11 -0.12 0.00 -0.52 0.00 0.00 37.83 35.08 2krb s LYS 59 CO 0.00 -0.71 1.95 0.25 -0.92 0.00 0.00 175.35 175.92 2krb n THR 60 N -1.85 0.42 -1.00 2.17 -2.24 -1.26 -3.24 114.28 107.28 2krb n THR 60 Ca -0.01 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 2krb n THR 60 Cb 0.64 -1.74 0.24 0.00 -2.10 0.00 0.00 70.33 67.37 2krb n THR 60 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2krb s LYS 61 N 4.63 -1.16 0.00 -0.78 -2.85 -1.26 -4.60 119.74 113.72 2krb s LYS 61 Ca 0.98 0.07 0.00 0.00 -1.00 0.00 0.00 55.97 56.02 2krb s LYS 61 Cb -0.78 -1.59 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 2krb s LYS 61 CO 0.53 -3.70 0.00 0.41 0.10 0.00 0.00 175.35 172.69 2krb n GLY 62 N -0.67 1.00 3.18 0.59 0.00 -1.21 -3.75 105.19 104.33 2krb n GLY 62 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2krb n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2krb s TYR 63 N 0.00 0.03 0.17 1.61 5.04 -1.25 -0.93 117.35 122.02 2krb s TYR 63 Ca 0.00 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 2krb s TYR 63 Cb 0.00 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.25 2krb s TYR 63 CO 0.00 -0.42 0.03 0.96 -1.34 0.00 0.00 175.55 174.78 2krb s ILE 64 N -2.39 0.47 -0.08 3.14 -4.36 -1.20 -4.37 121.20 112.41 2krb s ILE 64 Ca -0.06 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 2krb s ILE 64 Cb -0.02 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.58 2krb s ILE 64 CO -0.03 -0.43 -0.05 0.12 0.24 0.00 0.00 174.94 174.79 2krb s PHE 65 N -3.80 1.07 -0.03 1.37 5.36 -0.40 -3.34 117.98 118.23 2krb s PHE 65 Ca 0.25 -0.42 0.05 0.00 -0.96 0.00 0.00 56.93 55.85 2krb s PHE 65 Cb 0.07 -0.95 -0.01 0.00 -0.34 0.00 0.00 43.02 41.79 2krb s PHE 65 CO 0.04 -0.35 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.77 2krb s LEU 66 N 1.45 1.98 -0.05 6.12 1.02 -0.84 -0.50 118.68 127.86 2krb s LEU 66 Ca -0.02 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.85 2krb s LEU 66 Cb -0.13 -0.92 -0.00 0.00 0.02 0.00 0.00 46.19 45.15 2krb s LEU 66 CO -0.04 0.19 -0.18 -0.70 0.02 0.00 0.00 176.35 175.64 2krb s GLU 67 N -0.21 1.98 0.43 1.70 2.12 -0.74 -0.66 118.70 123.31 2krb s GLU 67 Ca 0.02 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.73 2krb s GLU 67 Cb -0.09 -1.67 -0.00 0.00 0.26 0.00 0.00 34.13 32.63 2krb s GLU 67 CO 0.01 0.22 0.63 0.71 -0.54 0.00 0.00 175.26 176.29 2krb s TYR 68 N 0.13 3.20 -1.51 5.30 2.02 -1.05 -1.96 117.35 123.48 2krb s TYR 68 Ca -0.07 0.15 0.25 0.00 -0.37 0.00 0.00 57.07 57.03 2krb s TYR 68 Cb -0.13 -2.25 1.28 0.00 -0.40 0.00 0.00 41.96 40.46 2krb s TYR 68 CO 0.03 -0.29 1.83 0.00 -1.57 0.00 0.00 175.55 175.55 2krb n ALA 69 N -1.99 2.28 -3.29 3.71 0.00 -1.26 -4.86 120.51 115.10 2krb n ALA 69 Ca 0.01 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 2krb n ALA 69 Cb 0.58 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 2krb n ALA 69 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2krb s SER 70 N -2.49 -0.34 0.10 0.00 0.01 -1.26 -5.07 113.70 104.64 2krb s SER 70 Ca 0.25 0.22 -0.19 0.00 1.31 0.00 0.00 55.95 57.54 2krb s SER 70 Cb 0.17 0.41 -0.08 0.00 0.21 0.00 0.00 66.02 66.73 2krb s SER 70 CO 0.36 -0.56 1.63 1.55 0.41 0.00 0.00 173.24 176.63 2krb h PRO 71 N 3.37 0.35 0.00 12.44 0.13 -1.86 -2.78 132.00 143.66 2krb h PRO 71 Ca -0.29 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2krb h PRO 71 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2krb h PRO 71 CO 0.41 0.41 0.20 0.00 -0.23 0.00 0.00 178.00 178.79 2krb h ALA 72 N 0.92 1.16 0.03 -0.56 0.00 -1.97 -0.05 119.26 118.79 2krb h ALA 72 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2krb h ALA 72 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2krb h ALA 72 CO -0.00 -0.16 -1.03 0.45 0.00 0.00 0.00 179.25 178.50 2krb h HIS 73 N 0.00 0.10 0.63 0.00 3.86 -1.81 -3.28 115.15 114.65 2krb h HIS 73 Ca 0.00 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 2krb h HIS 73 Cb 0.40 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.88 2krb h HIS 73 CO 0.00 1.40 -0.30 0.00 0.86 0.00 0.00 177.93 179.89 2krb h ALA 74 N -0.28 -0.85 0.00 2.45 0.00 -1.26 0.83 119.26 120.14 2krb h ALA 74 Ca -0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2krb h ALA 74 Cb 1.34 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2krb h ALA 74 CO -0.10 -0.93 -0.05 -0.39 0.00 0.00 0.00 179.25 177.78 2krb h VAL 75 N -0.95 0.70 0.07 0.00 -1.51 -1.25 -1.64 116.25 111.68 2krb h VAL 75 Ca -0.09 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2krb h VAL 75 Cb 0.68 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2krb h VAL 75 CO 0.14 0.04 -0.04 -0.78 -1.23 0.00 0.00 177.57 175.71 2krb h ASP 76 N 0.00 -0.08 -0.76 4.19 3.58 -1.61 -3.32 116.42 118.43 2krb h ASP 76 Ca -0.00 -0.33 0.14 0.00 0.42 0.00 0.00 57.03 57.26 2krb h ASP 76 Cb 0.10 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.08 2krb h ASP 76 CO 0.01 0.55 0.31 0.00 -2.88 0.00 0.00 179.24 177.22 2krb h ALA 77 N -0.60 1.07 -0.85 -0.78 0.00 -0.31 -0.07 119.26 117.72 2krb h ALA 77 Ca -0.01 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2krb h ALA 77 Cb 0.41 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2krb h ALA 77 CO 0.02 -0.20 0.55 0.28 0.00 0.00 0.00 179.25 179.90 2krb h VAL 78 N 0.46 1.01 -0.16 0.00 2.07 -1.50 0.58 116.25 118.71 2krb h VAL 78 Ca 0.41 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2krb h VAL 78 Cb 0.62 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2krb h VAL 78 CO -0.39 0.16 0.00 0.29 0.02 0.00 0.00 177.57 177.65 2krb n LYS 79 N -4.50 1.74 0.00 1.57 5.02 -0.12 -3.58 118.16 118.28 2krb n LYS 79 Ca 0.13 -1.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 2krb n LYS 79 Cb 0.25 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2krb n LYS 79 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2krb n ASN 80 N 0.33 4.38 -0.94 4.39 3.02 -0.69 -4.79 115.26 120.95 2krb n ASN 80 Ca 0.16 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.79 2krb n ASN 80 Cb 0.33 0.33 0.25 0.00 -0.61 0.00 0.00 39.78 40.08 2krb n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2krb n ALA 81 N -2.06 2.90 -1.52 5.41 0.00 0.12 -4.99 120.51 120.37 2krb n ALA 81 Ca 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 53.44 51.27 2krb n ALA 81 Cb 0.47 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 2krb n ALA 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2krb n ASP 82 N -0.15 0.69 -0.61 0.00 2.03 -1.23 -3.99 116.55 113.27 2krb n ASP 82 Ca 0.20 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 54.17 2krb n ASP 82 Cb 0.82 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2krb n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krb n GLY 83 N 6.28 -1.20 3.80 0.27 0.00 -1.24 -4.86 105.19 108.24 2krb n GLY 83 Ca 0.50 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2krb n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krb s TYR 84 N 0.00 3.52 -1.05 1.61 2.02 -1.26 -4.83 117.35 117.36 2krb s TYR 84 Ca 0.00 1.70 -0.02 0.00 -0.37 0.00 0.00 57.07 58.39 2krb s TYR 84 Cb 0.00 -2.89 0.30 0.00 -0.40 0.00 0.00 41.96 38.97 2krb s TYR 84 CO 0.00 0.07 1.90 0.36 -1.57 0.00 0.00 175.55 176.31 2krb n LYS 85 N 0.03 5.27 0.01 -0.62 2.85 -1.26 -4.29 118.16 120.14 2krb n LYS 85 Ca 0.04 -4.49 0.03 0.00 -1.05 0.00 0.00 58.31 52.84 2krb n LYS 85 Cb 0.52 -2.48 0.12 0.00 -0.65 0.00 0.00 35.03 32.54 2krb n LYS 85 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2krb n LEU 86 N 0.13 0.03 -3.32 -5.58 0.00 -1.26 -4.91 117.00 102.09 2krb n LEU 86 Ca 0.49 0.51 -0.13 0.00 0.00 0.00 0.00 56.01 56.88 2krb n LEU 86 Cb 0.26 -0.51 0.03 0.00 0.00 0.00 0.00 43.42 43.19 2krb n LEU 86 CO 0.54 -0.45 0.11 -0.67 0.00 0.00 0.00 177.39 176.92 2krb n ASP 87 N -1.54 -6.68 0.00 1.96 2.03 -1.26 -5.00 116.55 106.05 2krb n ASP 87 Ca 0.01 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.79 2krb n ASP 87 Cb 0.06 -4.51 0.00 0.00 -0.72 0.00 0.00 41.12 35.95 2krb n ASP 87 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2krb n LYS 88 N -2.74 0.00 0.00 -0.67 4.76 -1.26 -5.12 118.16 113.13 2krb n LYS 88 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2krb n LYS 88 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 2krb n LYS 88 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2krb n GLN 89 N -1.56 0.00 -4.54 1.97 6.02 -1.26 -5.14 117.38 112.87 2krb n GLN 89 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2krb n GLN 89 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 2krb n GLN 89 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2krb s HIS 90 N -1.01 2.56 0.78 1.08 3.76 -1.26 -5.14 115.29 116.06 2krb s HIS 90 Ca 0.00 -0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 54.55 2krb s HIS 90 Cb 0.00 -1.43 0.06 0.00 1.11 0.00 0.00 32.58 32.32 2krb s HIS 90 CO 0.00 0.30 1.08 0.99 -0.85 0.00 0.00 174.74 176.26 2krb s THR 91 N -1.00 3.33 0.65 1.30 2.01 -1.26 -5.00 115.64 115.67 2krb s THR 91 Ca 0.16 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.57 2krb s THR 91 Cb -0.11 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.37 2krb s THR 91 CO 0.07 -0.57 0.91 -0.36 -0.69 0.00 0.00 174.62 173.99 2krb s PHE 92 N -3.06 2.47 -0.35 4.92 0.40 -1.26 -4.83 117.98 116.28 2krb s PHE 92 Ca 0.60 0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2krb s PHE 92 Cb -0.15 -2.97 0.13 0.00 0.51 0.00 0.00 43.02 40.54 2krb s PHE 92 CO 0.55 -1.30 0.20 1.03 0.70 0.00 0.00 175.22 176.40 2krb s ARG 93 N -5.02 0.56 -0.24 0.44 1.81 -1.20 -3.64 118.95 111.65 2krb s ARG 93 Ca 0.61 -1.27 -0.29 0.00 -1.72 0.00 0.00 55.73 53.06 2krb s ARG 93 Cb -0.09 -1.37 0.00 0.00 -0.45 0.00 0.00 34.95 33.05 2krb s ARG 93 CO 0.42 -1.18 1.13 0.08 -0.68 0.00 0.00 175.30 175.07 2krb s VAL 94 N 1.16 4.50 0.00 3.52 1.01 -1.26 -3.26 120.40 126.07 2krb s VAL 94 Ca 0.17 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2krb s VAL 94 Cb -0.22 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2krb s VAL 94 CO -0.04 -0.25 0.05 0.59 0.00 0.00 0.00 175.10 175.45