#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 1.88 -4.15 -1.12 7.64 -1.26 -4.22 113.62 112.38 2krb n SER 16 Ca 0.00 -1.55 -0.10 0.00 1.01 0.00 0.00 58.87 58.23 2krb n SER 16 Cb 0.00 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.69 0.43 0.10 0.44 -7.23 -1.26 -2.29 120.40 109.90 2krb s VAL 17 Ca 0.09 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2krb s VAL 17 Cb 0.05 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2krb s VAL 17 CO 0.07 -0.77 -0.13 0.27 -0.31 0.00 0.00 175.10 174.23 2krb s ILE 18 N -3.80 1.15 0.01 -0.62 -4.36 0.17 -4.83 121.20 108.91 2krb s ILE 18 Ca 0.15 -1.53 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 2krb s ILE 18 Cb 0.07 -1.30 -0.01 0.00 1.25 0.00 0.00 42.46 42.47 2krb s ILE 18 CO -0.04 -0.37 -0.03 -0.69 0.24 0.00 0.00 174.94 174.05 2krb s VAL 19 N -1.85 0.25 0.14 8.37 1.01 0.23 -1.85 120.40 126.71 2krb s VAL 19 Ca 0.04 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.79 2krb s VAL 19 Cb -0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2krb s VAL 19 CO 0.02 -0.05 -0.23 0.68 0.00 0.00 0.00 175.10 175.52 2krb s VAL 20 N -0.37 2.03 0.29 2.92 -7.23 -1.19 -0.63 120.40 116.21 2krb s VAL 20 Ca -0.02 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2krb s VAL 20 Cb -0.03 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 2krb s VAL 20 CO -0.00 -0.05 0.00 -0.62 -0.31 0.00 0.00 175.10 174.12 2krb s ASP 21 N -2.19 2.44 -1.66 4.85 -1.08 -1.19 -3.16 116.67 114.69 2krb s ASP 21 Ca 0.13 -1.28 -0.01 0.00 -0.52 0.00 0.00 52.55 50.86 2krb s ASP 21 Cb -0.09 -0.10 0.00 0.00 -1.46 0.00 0.00 42.92 41.27 2krb s ASP 21 CO 0.06 -0.49 0.18 0.59 0.52 0.00 0.00 175.17 176.03 2krb n ASN 22 N -0.60 -5.79 -4.30 -0.34 3.02 -1.00 -3.41 115.26 102.84 2krb n ASN 22 Ca -0.04 -0.08 -0.44 0.00 -0.03 0.00 0.00 54.58 53.99 2krb n ASN 22 Cb 0.65 -4.79 -0.01 0.00 -0.61 0.00 0.00 39.78 35.02 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 -3.05 5.66 0.80 2.41 0.11 -0.28 -4.81 120.40 121.24 2krb s VAL 23 Ca 0.09 -3.41 -0.11 0.00 -2.93 0.00 0.00 61.98 55.62 2krb s VAL 23 Cb -0.04 -4.42 0.07 0.00 -1.53 0.00 0.00 36.38 30.46 2krb s VAL 23 CO 0.11 -1.15 1.11 -2.16 -3.33 0.00 0.00 175.10 169.68 2krb s PRO 24 N -1.14 1.99 0.84 1.54 0.04 -1.26 -3.36 135.00 133.66 2krb s PRO 24 Ca 0.29 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 2krb s PRO 24 Cb -0.10 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.68 2krb s PRO 24 CO -0.09 -1.86 1.12 -1.14 0.04 0.00 0.00 177.00 175.08 2krb s GLN 25 N -4.79 1.71 0.18 4.56 0.74 -1.24 -4.95 119.66 115.87 2krb s GLN 25 Ca 0.63 0.42 0.00 0.00 0.05 0.00 0.00 55.36 56.46 2krb s GLN 25 Cb -0.19 -1.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.98 2krb s GLN 25 CO 0.56 -1.83 0.05 0.14 -0.55 0.00 0.00 175.29 173.66 2krb s VAL 26 N -3.27 0.39 0.36 1.34 -7.23 -1.26 -5.02 120.40 105.71 2krb s VAL 26 Ca 0.62 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 2krb s VAL 26 Cb -0.14 -2.24 0.09 0.00 0.56 0.00 0.00 36.38 34.64 2krb s VAL 26 CO 0.53 -0.32 0.41 0.61 -0.31 0.00 0.00 175.10 176.02 2krb n GLY 27 N -0.24 -1.80 3.50 2.32 0.00 -1.26 -4.57 105.19 103.14 2krb n GLY 27 Ca -0.04 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.90 -0.86 0.00 1.61 0.04 -1.26 -1.99 135.00 128.64 2krb s PRO 28 Ca 0.24 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2krb s PRO 28 Cb -0.01 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.97 2krb s PRO 28 CO 0.18 -3.69 0.00 -0.25 0.04 0.00 0.00 177.00 173.28 2krb n ASP 29 N -4.89 -5.52 0.00 6.66 8.00 -1.26 -4.51 116.55 115.04 2krb n ASP 29 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2krb n ASP 29 Cb 0.54 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.43 2krb n ASP 29 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2krb n ARG 30 N 0.56 0.11 -0.21 -1.24 0.63 -1.23 -4.94 116.66 110.33 2krb n ARG 30 Ca 0.00 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.15 2krb n ARG 30 Cb 0.44 -0.23 0.59 0.00 0.45 0.00 0.00 32.46 33.70 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 0.26 0.05 6.15 -0.00 -1.63 -1.74 115.31 118.41 2krb h LEU 31 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2krb h LEU 31 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2krb h LEU 31 CO 0.00 0.10 -0.03 -0.33 -0.00 0.00 0.00 178.44 178.18 2krb h GLU 32 N 0.26 -0.07 -1.01 0.17 5.08 -1.92 -2.99 114.58 114.11 2krb h GLU 32 Ca 0.45 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 59.05 2krb h GLU 32 Cb 1.34 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.51 2krb h GLU 32 CO -0.12 0.24 0.63 0.87 -1.00 0.00 0.00 179.01 179.64 2krb h LYS 33 N -0.39 0.51 -0.14 2.33 6.56 -1.69 0.21 116.57 123.97 2krb h LYS 33 Ca -0.01 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2krb h LYS 33 Cb 0.35 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.85 2krb h LYS 33 CO 0.01 0.34 -0.29 1.25 -2.06 0.00 0.00 179.45 178.70 2krb h LEU 34 N 0.52 -0.95 -0.44 2.94 7.12 -1.30 0.26 115.31 123.46 2krb h LEU 34 Ca 0.59 0.12 -0.14 0.00 0.13 0.00 0.00 57.88 58.57 2krb h LEU 34 Cb 1.27 0.38 -0.02 0.00 -0.53 0.00 0.00 40.66 41.75 2krb h LEU 34 CO -0.34 -0.24 -0.67 0.50 -0.13 0.00 0.00 178.44 177.56 2krb h LYS 35 N -0.27 0.00 0.97 1.25 3.11 -1.61 -3.29 116.57 116.73 2krb h LYS 35 Ca 0.03 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 2krb h LYS 35 Cb 0.34 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.58 2krb h LYS 35 CO -0.27 0.67 -0.47 -0.91 -2.81 0.00 0.00 179.45 175.67 2krb h ASN 36 N 0.00 -1.11 -0.76 4.20 2.35 -0.53 -3.13 115.58 116.61 2krb h ASN 36 Ca -0.01 0.04 0.16 0.00 -0.55 0.00 0.00 56.30 55.94 2krb h ASN 36 Cb 1.31 0.29 -0.05 0.00 0.05 0.00 0.00 38.32 39.92 2krb h ASN 36 CO 0.09 -0.78 0.51 -0.37 -1.65 0.00 0.00 177.43 175.23 2krb h VAL 37 N -1.32 0.77 -0.57 2.81 -1.51 -0.61 0.26 116.25 116.07 2krb h VAL 37 Ca -0.13 -0.12 0.12 0.00 -1.23 0.00 0.00 66.70 65.33 2krb h VAL 37 Cb 1.00 0.37 -0.10 0.00 -2.13 0.00 0.00 31.29 30.44 2krb h VAL 37 CO 0.22 0.07 -0.01 0.40 -1.23 0.00 0.00 177.57 177.01 2krb h ILE 38 N 0.36 0.52 0.00 7.19 5.03 -1.61 0.24 117.51 129.25 2krb h ILE 38 Ca 0.37 -0.04 -0.00 0.00 -0.12 0.00 0.00 64.86 65.08 2krb h ILE 38 Cb 0.93 0.41 -0.00 0.00 -3.03 0.00 0.00 36.82 35.14 2krb h ILE 38 CO -0.11 0.02 -0.01 0.45 -0.68 0.00 0.00 178.15 177.82 2krb h HIS 39 N 0.10 0.00 0.00 1.37 3.86 -0.46 -2.61 115.15 117.42 2krb h HIS 39 Ca 0.29 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.12 2krb h HIS 39 Cb 0.46 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.88 2krb h HIS 39 CO -0.36 0.01 -2.09 1.63 0.86 0.00 0.00 177.93 177.98 2krb n LYS 40 N -3.12 0.58 -0.25 2.45 4.01 -0.49 -3.46 118.16 117.89 2krb n LYS 40 Ca -0.00 0.37 0.01 0.00 -0.51 0.00 0.00 58.31 58.18 2krb n LYS 40 Cb 0.25 -1.59 0.13 0.00 -0.51 0.00 0.00 35.03 33.32 2krb n LYS 40 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 2krb h ILE 41 N -0.96 0.88 -0.01 -0.18 -0.00 -0.66 -1.75 117.51 114.83 2krb h ILE 41 Ca -0.58 -0.22 0.00 0.00 -0.00 0.00 0.00 64.86 64.07 2krb h ILE 41 Cb 1.52 0.19 0.00 0.00 -0.00 0.00 0.00 36.82 38.53 2krb h ILE 41 CO -0.34 0.12 -0.01 0.49 -0.00 0.00 0.00 178.15 178.41 2krb n PHE 42 N -4.84 0.00 0.02 2.19 3.72 -0.98 -3.93 117.46 113.64 2krb n PHE 42 Ca 0.11 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.44 2krb n PHE 42 Cb 0.25 -0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.89 2krb n PHE 42 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2krb h SER 43 N 1.68 0.53 0.16 4.37 0.87 -1.34 -3.00 113.55 116.82 2krb h SER 43 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2krb h SER 43 Cb 0.36 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2krb h SER 43 CO 0.00 0.92 0.00 0.07 -0.53 0.00 0.00 176.83 177.29 2krb h LYS 44 N 0.40 0.00 0.00 2.24 2.10 -1.69 -2.13 116.57 117.48 2krb h LYS 44 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2krb h LYS 44 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2krb h LYS 44 CO 0.08 0.00 -1.04 1.19 -2.00 0.00 0.00 179.45 177.68 2krb n PHE 45 N -2.66 0.00 0.00 0.07 3.72 -1.14 -5.10 117.46 112.35 2krb n PHE 45 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2krb n PHE 45 Cb 0.09 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.46 0.14 3.00 1.37 0.00 -0.80 -4.79 105.19 105.56 2krb n GLY 46 Ca 0.03 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 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 1.87 0.01 1.61 2.47 -1.26 -4.16 119.74 118.28 2krb s LYS 47 Ca 0.00 -0.43 -0.30 0.00 -1.56 0.00 0.00 55.97 53.68 2krb s LYS 47 Cb 0.00 -1.68 -0.03 0.00 -1.46 0.00 0.00 37.83 34.66 2krb s LYS 47 CO 0.00 -0.11 0.99 0.42 0.16 0.00 0.00 175.35 176.81 2krb s ILE 48 N 1.15 4.79 -0.20 5.43 1.09 -1.26 -4.31 121.20 127.89 2krb s ILE 48 Ca -0.04 2.02 0.16 0.00 -1.10 0.00 0.00 60.65 61.69 2krb s ILE 48 Cb -0.14 -4.29 -0.24 0.00 -1.06 0.00 0.00 42.46 36.73 2krb s ILE 48 CO -0.03 0.17 0.05 1.07 -0.10 0.00 0.00 174.94 176.10 2krb n THR 49 N 3.81 1.35 -4.26 2.92 5.66 -1.22 -5.01 114.28 117.53 2krb n THR 49 Ca 0.06 -0.81 -0.27 0.00 -3.05 0.00 0.00 64.05 59.98 2krb n THR 49 Cb 0.51 -0.53 -0.09 0.00 -1.55 0.00 0.00 70.33 68.66 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 -5.47 4.43 -0.29 1.09 0.01 -0.96 -5.03 114.94 108.73 2krb s ASN 50 Ca -0.11 -0.50 -0.12 0.00 -0.71 0.00 0.00 52.86 51.41 2krb s ASN 50 Cb 0.06 -0.82 0.11 0.00 0.41 0.00 0.00 41.25 41.00 2krb s ASN 50 CO 0.79 0.10 0.65 1.51 -1.51 0.00 0.00 177.10 178.64 2krb s ASP 51 N -2.81 -1.02 -0.04 -1.22 1.47 -1.26 -3.58 116.67 108.20 2krb s ASP 51 Ca 0.25 1.52 0.01 0.00 1.18 0.00 0.00 52.55 55.51 2krb s ASP 51 Cb -0.09 1.89 0.02 0.00 -0.34 0.00 0.00 42.92 44.41 2krb s ASP 51 CO 0.16 -0.23 -0.04 -0.36 0.68 0.00 0.00 175.17 175.38 2krb s PHE 52 N 2.39 0.69 -0.57 2.11 0.08 0.18 -5.02 117.98 117.82 2krb s PHE 52 Ca -0.07 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.84 2krb s PHE 52 Cb -0.09 -0.62 0.15 0.00 -0.57 0.00 0.00 43.02 41.88 2krb s PHE 52 CO -0.19 -0.18 0.34 0.71 -0.10 0.00 0.00 175.22 175.81 2krb s TYR 53 N 0.91 3.13 1.15 0.36 1.51 -1.26 -1.50 117.35 121.64 2krb s TYR 53 Ca -0.11 -3.13 -0.17 0.00 -1.01 0.00 0.00 57.07 52.65 2krb s TYR 53 Cb -0.14 -2.62 0.26 0.00 -0.11 0.00 0.00 41.96 39.34 2krb s TYR 53 CO -0.00 -0.68 1.09 -1.25 -1.11 0.00 0.00 175.55 173.60 2krb s PRO 54 N -0.64 -0.78 0.26 -1.71 0.04 -1.26 -5.10 135.00 125.81 2krb s PRO 54 Ca 0.20 0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.39 2krb s PRO 54 Cb -0.17 -1.62 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 2krb s PRO 54 CO -0.07 -3.47 0.34 -1.21 0.04 0.00 0.00 177.00 172.64 2krb s GLU 55 N -5.16 1.52 -0.31 4.56 2.02 -1.26 -4.54 118.70 115.54 2krb s GLU 55 Ca 0.69 -1.55 -0.03 0.00 0.02 0.00 0.00 54.97 54.10 2krb s GLU 55 Cb -0.14 0.38 0.05 0.00 0.10 0.00 0.00 34.13 34.52 2krb s GLU 55 CO 0.57 -0.59 0.02 -1.83 0.02 0.00 0.00 175.26 173.46 2krb s GLU 56 N -3.81 2.51 -1.91 1.61 -1.05 -1.07 -4.73 118.70 110.25 2krb s GLU 56 Ca 0.31 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 2krb s GLU 56 Cb 0.02 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.47 2krb s GLU 56 CO 0.14 -0.62 0.00 -0.25 0.95 0.00 0.00 175.26 175.48 2krb n ASP 57 N 4.68 -4.76 0.00 0.83 8.00 -1.26 -0.07 116.55 123.97 2krb n ASP 57 Ca -0.13 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.81 2krb n ASP 57 Cb 0.44 -4.26 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 2krb n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2krb n GLY 58 N -0.35 0.58 3.74 0.44 0.00 -1.26 -5.08 105.19 103.27 2krb n GLY 58 Ca -0.18 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 2.20 -0.48 1.61 -0.14 0.90 -5.07 119.74 117.93 2krb s LYS 59 Ca 0.00 -1.92 -0.45 0.00 -1.36 0.00 0.00 55.97 52.24 2krb s LYS 59 Cb 0.00 -1.93 -0.19 0.00 -1.68 0.00 0.00 37.83 34.03 2krb s LYS 59 CO 0.00 -0.16 1.85 -2.37 -0.76 0.00 0.00 175.35 173.91 2krb n THR 60 N -1.25 0.02 -0.44 2.17 5.66 -1.26 -2.59 114.28 116.60 2krb n THR 60 Ca -0.03 -0.01 -0.28 0.00 -3.05 0.00 0.00 64.05 60.68 2krb n THR 60 Cb 0.65 -0.58 0.26 0.00 -1.55 0.00 0.00 70.33 69.11 2krb n THR 60 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2krb n LYS 61 N 5.68 -4.20 0.00 1.09 2.85 -1.26 -4.52 118.16 117.80 2krb n LYS 61 Ca 0.41 -1.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.24 2krb n LYS 61 Cb -0.03 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 2krb n LYS 61 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2krb n GLY 62 N -5.04 0.93 3.18 2.58 0.00 -1.21 -3.65 105.19 101.97 2krb n GLY 62 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.05 0.16 1.61 5.04 -1.25 -1.12 117.35 121.84 2krb s TYR 63 Ca 0.00 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 2krb s TYR 63 Cb 0.00 -0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.24 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 -2.50 0.41 -0.05 3.14 -5.25 -1.19 -4.41 121.20 111.36 2krb s ILE 64 Ca -0.06 -1.95 0.00 0.00 -0.99 0.00 0.00 60.65 57.65 2krb s ILE 64 Cb -0.01 -2.13 0.03 0.00 2.95 0.00 0.00 42.46 43.29 2krb s ILE 64 CO -0.04 -0.43 -0.02 0.12 -1.79 0.00 0.00 174.94 172.79 2krb s PHE 65 N -3.84 0.61 -0.00 1.37 5.36 -0.56 -3.17 117.98 117.74 2krb s PHE 65 Ca 0.25 -0.14 0.04 0.00 -0.96 0.00 0.00 56.93 56.12 2krb s PHE 65 Cb 0.07 -0.65 -0.01 0.00 -0.34 0.00 0.00 43.02 42.09 2krb s PHE 65 CO 0.04 -0.22 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.95 2krb s LEU 66 N 1.32 2.05 -0.08 6.12 1.02 -0.77 -0.65 118.68 127.70 2krb s LEU 66 Ca -0.05 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 53.86 2krb s LEU 66 Cb -0.13 -0.58 0.02 0.00 0.02 0.00 0.00 46.19 45.51 2krb s LEU 66 CO -0.02 0.12 -0.10 -1.61 0.02 0.00 0.00 176.35 174.75 2krb s GLU 67 N -0.43 1.54 0.58 1.70 2.02 -1.24 -0.66 118.70 122.22 2krb s GLU 67 Ca 0.04 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 2krb s GLU 67 Cb -0.05 -1.38 0.03 0.00 0.10 0.00 0.00 34.13 32.83 2krb s GLU 67 CO -0.00 -0.06 0.86 0.71 0.02 0.00 0.00 175.26 176.78 2krb s TYR 68 N 0.97 3.07 -1.60 1.61 2.02 -0.97 -2.26 117.35 120.20 2krb s TYR 68 Ca -0.09 0.36 0.23 0.00 -0.37 0.00 0.00 57.07 57.21 2krb s TYR 68 Cb -0.15 -2.77 1.25 0.00 -0.40 0.00 0.00 41.96 39.89 2krb s TYR 68 CO 0.00 -0.89 1.77 0.00 -1.57 0.00 0.00 175.55 174.86 2krb n ALA 69 N -2.52 2.25 -3.37 3.71 0.00 -1.26 -4.87 120.51 114.45 2krb n ALA 69 Ca 0.06 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 2krb n ALA 69 Cb 0.59 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.40 -0.50 0.09 0.00 0.01 -1.26 -5.07 113.70 104.57 2krb s SER 70 Ca 0.26 0.29 -0.20 0.00 1.31 0.00 0.00 55.95 57.61 2krb s SER 70 Cb 0.16 0.51 -0.09 0.00 0.21 0.00 0.00 66.02 66.80 2krb s SER 70 CO 0.33 -0.70 1.64 1.55 0.41 0.00 0.00 173.24 176.46 2krb h PRO 71 N 2.81 0.28 0.00 12.44 0.13 -1.86 -2.84 132.00 142.96 2krb h PRO 71 Ca -0.30 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2krb h PRO 71 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2krb h PRO 71 CO 0.40 0.34 0.16 0.00 -0.23 0.00 0.00 178.00 178.67 2krb n ALA 72 N -2.23 0.82 -0.05 -0.56 0.00 -1.26 -0.97 120.51 116.26 2krb n ALA 72 Ca -0.04 0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 2krb n ALA 72 Cb 0.12 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 2krb n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2krb h HIS 73 N 0.00 0.21 0.30 0.00 3.86 -1.81 -3.31 115.15 114.40 2krb h HIS 73 Ca 0.00 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 2krb h HIS 73 Cb 0.32 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2krb h HIS 73 CO 0.00 1.54 -0.14 0.00 0.86 0.00 0.00 177.93 180.19 2krb h ALA 74 N -0.24 -0.40 0.00 2.45 0.00 -1.09 0.10 119.26 120.08 2krb h ALA 74 Ca -0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2krb h ALA 74 Cb 1.55 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2krb h ALA 74 CO -0.07 -0.56 -0.04 -0.39 0.00 0.00 0.00 179.25 178.18 2krb h VAL 75 N -0.72 0.64 0.06 0.00 -1.51 -1.22 -1.51 116.25 111.99 2krb h VAL 75 Ca -0.04 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2krb h VAL 75 Cb 0.49 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2krb h VAL 75 CO 0.07 0.04 -0.03 -0.78 -1.23 0.00 0.00 177.57 175.64 2krb h ASP 76 N 0.00 -0.07 -0.80 4.19 3.58 -1.63 -3.30 116.42 118.39 2krb h ASP 76 Ca -0.00 -0.28 0.16 0.00 0.42 0.00 0.00 57.03 57.33 2krb h ASP 76 Cb 0.09 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.06 2krb h ASP 76 CO 0.01 0.55 0.34 0.00 -2.88 0.00 0.00 179.24 177.25 2krb h ALA 77 N -0.69 1.18 -0.99 -0.78 0.00 -0.37 -0.11 119.26 117.50 2krb h ALA 77 Ca -0.01 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2krb h ALA 77 Cb 0.35 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2krb h ALA 77 CO 0.01 -0.22 0.65 0.28 0.00 0.00 0.00 179.25 179.97 2krb h VAL 78 N 0.46 1.12 -0.19 0.00 2.07 -1.46 0.69 116.25 118.94 2krb h VAL 78 Ca 0.46 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2krb h VAL 78 Cb 0.73 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2krb h VAL 78 CO -0.43 0.22 0.00 0.29 0.02 0.00 0.00 177.57 177.67 2krb n LYS 79 N -4.47 1.77 0.00 1.57 5.02 -0.19 -3.65 118.16 118.21 2krb n LYS 79 Ca 0.14 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 2krb n LYS 79 Cb 0.15 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.39 3.80 -0.19 4.39 3.02 -0.41 -4.80 115.26 121.46 2krb n ASN 80 Ca 0.16 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.80 2krb n ASN 80 Cb 0.34 0.74 0.15 0.00 -0.61 0.00 0.00 39.78 40.40 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 -1.16 2.48 -1.46 5.41 0.00 0.18 -5.02 120.51 120.95 2krb n ALA 81 Ca 0.00 -2.68 -0.12 0.00 0.00 0.00 0.00 53.44 50.64 2krb n ALA 81 Cb 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.32 0.74 -0.14 0.00 2.03 -1.24 -4.07 116.55 112.55 2krb n ASP 82 Ca 0.16 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.17 2krb n ASP 82 Cb 0.65 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 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 5.83 -0.43 3.76 0.27 0.00 -1.25 -4.87 105.19 108.50 2krb n GLY 83 Ca 0.34 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 2.52 -0.68 1.61 2.02 -1.26 -4.79 117.35 116.77 2krb s TYR 84 Ca 0.00 1.53 -0.03 0.00 -0.37 0.00 0.00 57.07 58.20 2krb s TYR 84 Cb 0.00 -3.39 0.16 0.00 -0.40 0.00 0.00 41.96 38.33 2krb s TYR 84 CO 0.00 -1.92 2.49 0.36 -1.57 0.00 0.00 175.55 174.91 2krb n LYS 85 N -1.48 2.88 0.00 -0.62 0.00 -1.26 -4.44 118.16 113.25 2krb n LYS 85 Ca 0.13 -2.89 0.00 0.00 -0.00 0.00 0.00 58.31 55.54 2krb n LYS 85 Cb 0.50 -2.24 0.00 0.00 -0.00 0.00 0.00 35.03 33.29 2krb n LYS 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2krb n LEU 86 N 0.54 0.91 0.00 -5.58 7.94 -1.26 -4.93 117.00 114.62 2krb n LEU 86 Ca 0.52 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2krb n LEU 86 Cb 0.42 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2krb n LEU 86 CO 0.42 0.19 0.00 -0.67 -1.11 0.00 0.00 177.39 176.23 2krb n ASP 87 N 0.30 0.00 0.00 1.96 2.03 -1.26 -4.94 116.55 114.64 2krb n ASP 87 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2krb n ASP 87 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2krb n ASP 87 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2krb n LYS 88 N 0.00 0.00 -0.03 -0.67 4.81 -1.26 -4.59 118.16 116.42 2krb n LYS 88 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2krb n LYS 88 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2krb n LYS 88 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2krb n GLN 89 N 9.94 0.14 -4.84 1.64 3.00 -1.26 -5.07 117.38 120.94 2krb n GLN 89 Ca 0.00 0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.78 2krb n GLN 89 Cb 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 30.24 29.03 2krb n GLN 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2krb s HIS 90 N -2.12 1.60 0.94 1.08 3.76 -1.26 -5.15 115.29 114.14 2krb s HIS 90 Ca -0.08 -0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 54.38 2krb s HIS 90 Cb 0.02 -1.04 0.16 0.00 1.11 0.00 0.00 32.58 32.83 2krb s HIS 90 CO 0.13 -0.05 1.09 0.99 -0.85 0.00 0.00 174.74 176.05 2krb s THR 91 N -0.34 2.44 0.66 1.30 2.01 -1.26 -5.06 115.64 115.39 2krb s THR 91 Ca 0.05 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.16 2krb s THR 91 Cb -0.08 -2.59 0.06 0.00 0.01 0.00 0.00 72.50 69.90 2krb s THR 91 CO -0.00 -0.19 0.94 -0.36 -0.69 0.00 0.00 174.62 174.32 2krb s PHE 92 N -2.91 2.76 -0.37 4.92 0.40 -1.26 -4.85 117.98 116.68 2krb s PHE 92 Ca 0.64 0.23 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 2krb s PHE 92 Cb -0.19 -3.06 0.14 0.00 0.51 0.00 0.00 43.02 40.42 2krb s PHE 92 CO 0.58 -1.29 0.22 1.03 0.70 0.00 0.00 175.22 176.46 2krb s ARG 93 N -5.09 0.72 -0.23 0.44 1.81 -1.22 -3.84 118.95 111.53 2krb s ARG 93 Ca 0.60 -1.49 -0.29 0.00 -1.72 0.00 0.00 55.73 52.83 2krb s ARG 93 Cb -0.10 -1.54 0.00 0.00 -0.45 0.00 0.00 34.95 32.87 2krb s ARG 93 CO 0.43 -1.20 1.15 0.08 -0.68 0.00 0.00 175.30 175.08 2krb s VAL 94 N 0.90 4.45 0.00 3.52 1.01 -1.26 -3.15 120.40 125.87 2krb s VAL 94 Ca 0.18 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2krb s VAL 94 Cb -0.23 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2krb s VAL 94 CO 0.01 -0.25 0.04 0.59 0.00 0.00 0.00 175.10 175.49