#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 1.06 -4.07 -2.24 7.64 -1.26 -4.54 113.62 110.21 2krb n SER 16 Ca 0.00 -1.14 -0.10 0.00 1.01 0.00 0.00 58.87 58.64 2krb n SER 16 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.14 0.04 0.12 0.44 -7.23 -1.26 -3.78 120.40 108.59 2krb s VAL 17 Ca 0.00 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2krb s VAL 17 Cb 0.00 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2krb s VAL 17 CO 0.00 -0.17 -0.12 0.27 -0.31 0.00 0.00 175.10 174.77 2krb s ILE 18 N -4.05 1.18 0.06 -0.62 -4.36 -0.24 -4.77 121.20 108.39 2krb s ILE 18 Ca 0.26 -1.77 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 2krb s ILE 18 Cb 0.04 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 2krb s ILE 18 CO 0.06 -0.53 -0.07 -0.69 0.24 0.00 0.00 174.94 173.94 2krb s VAL 19 N -2.49 0.58 0.07 8.37 1.01 0.26 -2.21 120.40 125.99 2krb s VAL 19 Ca 0.10 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.80 2krb s VAL 19 Cb -0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2krb s VAL 19 CO 0.02 -0.53 -0.14 0.68 0.00 0.00 0.00 175.10 175.12 2krb s VAL 20 N -2.04 1.13 0.26 2.92 -7.23 -1.20 -0.81 120.40 113.43 2krb s VAL 20 Ca -0.04 -1.30 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 2krb s VAL 20 Cb -0.05 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 2krb s VAL 20 CO -0.01 -0.21 -0.11 -0.62 -0.31 0.00 0.00 175.10 173.84 2krb s ASP 21 N -1.72 2.87 -1.16 4.85 -1.08 -1.04 -3.26 116.67 116.14 2krb s ASP 21 Ca -0.02 -1.11 -0.03 0.00 -0.52 0.00 0.00 52.55 50.88 2krb s ASP 21 Cb -0.10 -0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.18 2krb s ASP 21 CO 0.02 -0.22 0.34 -3.20 0.52 0.00 0.00 175.17 172.64 2krb n ASN 22 N -0.53 -4.78 -4.24 -0.34 5.15 -0.96 -2.66 115.26 106.91 2krb n ASN 22 Ca -0.06 -0.16 -0.41 0.00 -0.60 0.00 0.00 54.58 53.34 2krb n ASN 22 Cb 0.62 -3.70 -0.03 0.00 -0.53 0.00 0.00 39.78 36.14 2krb n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2krb s VAL 23 N -2.94 5.25 0.44 3.44 0.11 -0.42 -4.78 120.40 121.50 2krb s VAL 23 Ca 0.17 -3.48 -0.24 0.00 -2.93 0.00 0.00 61.98 55.50 2krb s VAL 23 Cb -0.07 -4.20 -0.08 0.00 -1.53 0.00 0.00 36.38 30.50 2krb s VAL 23 CO 0.21 -1.12 1.21 -2.16 -3.33 0.00 0.00 175.10 169.91 2krb s PRO 24 N -1.11 3.84 0.94 1.54 0.04 -1.25 -3.42 135.00 135.58 2krb s PRO 24 Ca 0.28 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2krb s PRO 24 Cb -0.09 -2.55 0.16 0.00 0.04 0.00 0.00 34.50 32.05 2krb s PRO 24 CO -0.10 -0.52 1.10 -1.14 0.04 0.00 0.00 177.00 176.38 2krb s GLN 25 N -2.49 0.87 0.09 4.56 -0.44 -1.15 -4.95 119.66 116.14 2krb s GLN 25 Ca 0.61 1.11 -0.00 0.00 -2.50 0.00 0.00 55.36 54.58 2krb s GLN 25 Cb -0.32 -1.74 -0.04 0.00 -1.64 0.00 0.00 33.01 29.26 2krb s GLN 25 CO 0.40 -2.59 -0.02 0.14 0.50 0.00 0.00 175.29 173.72 2krb s VAL 26 N -2.74 0.35 0.40 1.34 -7.23 -1.26 -4.95 120.40 106.31 2krb s VAL 26 Ca 0.65 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.88 2krb s VAL 26 Cb -0.21 -1.71 0.10 0.00 0.56 0.00 0.00 36.38 35.12 2krb s VAL 26 CO 0.59 -0.83 0.37 0.61 -0.31 0.00 0.00 175.10 175.53 2krb n GLY 27 N 0.01 -2.48 3.54 2.32 0.00 -1.26 -4.46 105.19 102.86 2krb n GLY 27 Ca -0.11 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.83 -0.49 0.00 1.61 0.04 -1.26 -2.09 135.00 128.99 2krb s PRO 28 Ca 0.24 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2krb s PRO 28 Cb -0.02 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.92 2krb s PRO 28 CO 0.18 -3.45 0.00 -3.47 0.04 0.00 0.00 177.00 170.30 2krb n ASP 29 N -4.73 -4.14 0.00 6.66 2.03 -1.26 -4.53 116.55 110.58 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 -2.64 0.00 0.00 -0.72 0.00 0.00 41.12 38.30 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 -0.36 0.76 -0.20 -0.67 0.63 -1.23 -4.93 116.66 110.67 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 0.30 -0.24 0.59 0.00 0.45 0.00 0.00 32.46 33.56 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 0.25 0.23 6.15 -0.00 -1.64 -1.41 115.31 118.90 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 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2krb h LEU 31 CO 0.00 0.10 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.10 2krb h GLU 32 N 0.25 -0.30 -0.99 0.17 5.08 -1.91 -3.06 114.58 113.82 2krb h GLU 32 Ca 0.44 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 59.03 2krb h GLU 32 Cb 1.30 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.52 2krb h GLU 32 CO -0.11 -0.02 0.62 -0.22 -1.00 0.00 0.00 179.01 178.28 2krb h LYS 33 N -0.58 0.61 -0.34 2.33 1.63 -1.64 0.73 116.57 119.31 2krb h LYS 33 Ca -0.03 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2krb h LYS 33 Cb 0.42 -0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.84 2krb h LYS 33 CO 0.05 0.40 -0.54 1.25 -3.45 0.00 0.00 179.45 177.17 2krb h LEU 34 N 0.63 -1.78 -0.36 5.20 7.12 -1.29 0.35 115.31 125.17 2krb h LEU 34 Ca 0.57 0.23 -0.19 0.00 0.13 0.00 0.00 57.88 58.62 2krb h LEU 34 Cb 1.07 0.73 -0.01 0.00 -0.53 0.00 0.00 40.66 41.91 2krb h LEU 34 CO -0.34 -0.42 -0.82 0.50 -0.13 0.00 0.00 178.44 177.23 2krb h LYS 35 N -0.44 0.21 0.47 1.25 3.11 -1.51 -3.27 116.57 116.39 2krb h LYS 35 Ca 0.07 -0.20 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2krb h LYS 35 Cb 0.62 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.91 2krb h LYS 35 CO -0.56 0.91 -0.23 -0.91 -2.81 0.00 0.00 179.45 175.86 2krb h ASN 36 N 0.12 -0.53 -0.88 4.20 -0.26 -0.24 -2.66 115.58 115.34 2krb h ASN 36 Ca -0.04 -0.05 0.12 0.00 -0.56 0.00 0.00 56.30 55.77 2krb h ASN 36 Cb 1.42 0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 38.75 2krb h ASN 36 CO 0.12 -0.27 0.57 -0.37 -1.06 0.00 0.00 177.43 176.42 2krb h VAL 37 N -0.78 0.91 -0.50 2.81 -1.51 -0.47 0.59 116.25 117.29 2krb h VAL 37 Ca -0.06 -0.27 0.09 0.00 -1.23 0.00 0.00 66.70 65.22 2krb h VAL 37 Cb 0.55 0.05 -0.07 0.00 -2.13 0.00 0.00 31.29 29.70 2krb h VAL 37 CO 0.11 0.14 0.08 0.40 -1.23 0.00 0.00 177.57 177.07 2krb h ILE 38 N 0.78 0.70 -0.65 7.19 5.03 -1.58 0.21 117.51 129.19 2krb h ILE 38 Ca 0.42 -0.07 -0.08 0.00 -0.12 0.00 0.00 64.86 65.01 2krb h ILE 38 Cb 0.55 0.47 -0.03 0.00 -3.03 0.00 0.00 36.82 34.78 2krb h ILE 38 CO -0.19 0.04 0.08 0.45 -0.68 0.00 0.00 178.15 177.85 2krb h HIS 39 N 0.21 1.16 -0.02 1.37 3.86 -0.53 -2.67 115.15 118.54 2krb h HIS 39 Ca 0.25 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2krb h HIS 39 Cb 0.35 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2krb h HIS 39 CO -0.24 0.98 -0.06 0.87 0.86 0.00 0.00 177.93 180.34 2krb h LYS 40 N 1.01 0.07 -1.00 2.45 6.56 -1.00 -2.85 116.57 121.81 2krb h LYS 40 Ca 0.19 -0.05 0.07 0.00 -1.06 0.00 0.00 60.65 59.80 2krb h LYS 40 Cb 0.47 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.07 2krb h LYS 40 CO 0.02 0.69 0.64 0.97 -2.06 0.00 0.00 179.45 179.71 2krb h ILE 41 N -0.53 1.07 -0.01 1.86 -0.00 -0.64 -0.80 117.51 118.47 2krb h ILE 41 Ca -0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 64.86 64.46 2krb h ILE 41 Cb 0.70 -0.18 0.00 0.00 -0.00 0.00 0.00 36.82 37.34 2krb h ILE 41 CO 0.01 0.21 -0.03 0.49 -0.00 0.00 0.00 178.15 178.83 2krb n PHE 42 N -4.51 0.00 0.20 2.19 3.72 -1.01 -4.01 117.46 114.05 2krb n PHE 42 Ca 0.16 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 2krb n PHE 42 Cb 0.20 -0.03 0.29 0.00 -0.94 0.00 0.00 39.48 39.00 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 1.40 0.00 0.64 4.37 0.87 -0.88 -3.06 113.55 116.89 2krb h SER 43 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2krb h SER 43 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2krb h SER 43 CO 0.00 0.23 -0.21 0.07 -0.53 0.00 0.00 176.83 176.39 2krb h LYS 44 N 0.00 0.00 0.00 2.24 2.10 -1.70 -3.10 116.57 116.11 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 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2krb h LYS 44 CO 0.03 0.21 -0.87 1.19 -2.00 0.00 0.00 179.45 178.02 2krb n PHE 45 N -3.55 0.33 0.00 0.07 3.72 -1.16 -5.07 117.46 111.79 2krb n PHE 45 Ca -0.01 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2krb n PHE 45 Cb 0.36 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 1.37 -0.29 2.97 1.37 0.00 -1.17 -4.80 105.19 104.64 2krb n GLY 46 Ca 0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 1.77 -0.14 1.61 2.47 -1.26 -4.19 119.74 117.99 2krb s LYS 47 Ca 0.00 -0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 53.74 2krb s LYS 47 Cb 0.00 -1.65 -0.01 0.00 -1.46 0.00 0.00 37.83 34.71 2krb s LYS 47 CO 0.00 -0.16 1.03 0.42 0.16 0.00 0.00 175.35 176.80 2krb s ILE 48 N 1.33 4.72 -0.75 5.43 1.09 -1.26 -4.11 121.20 127.63 2krb s ILE 48 Ca -0.01 2.01 0.19 0.00 -1.10 0.00 0.00 60.65 61.74 2krb s ILE 48 Cb -0.14 -4.29 -0.22 0.00 -1.06 0.00 0.00 42.46 36.75 2krb s ILE 48 CO -0.05 -0.06 0.74 1.07 -0.10 0.00 0.00 174.94 176.55 2krb n THR 49 N 4.82 0.00 -4.52 2.92 5.66 -1.18 -4.99 114.28 116.99 2krb n THR 49 Ca 0.10 -0.12 -0.25 0.00 -3.05 0.00 0.00 64.05 60.74 2krb n THR 49 Cb 0.48 0.85 -0.11 0.00 -1.55 0.00 0.00 70.33 70.00 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 -3.01 3.42 -0.29 1.09 0.01 -1.00 -5.04 114.94 110.12 2krb s ASN 50 Ca 0.05 -1.22 -0.15 0.00 -0.71 0.00 0.00 52.86 50.83 2krb s ASN 50 Cb 0.14 -0.29 0.14 0.00 0.41 0.00 0.00 41.25 41.64 2krb s ASN 50 CO 0.78 -0.29 0.89 1.51 -1.51 0.00 0.00 177.10 178.48 2krb s ASP 51 N -3.57 -0.68 -0.05 -1.22 1.47 -1.26 -4.20 116.67 107.16 2krb s ASP 51 Ca 0.32 1.02 -0.01 0.00 1.18 0.00 0.00 52.55 55.06 2krb s ASP 51 Cb 0.04 1.49 0.03 0.00 -0.34 0.00 0.00 42.92 44.13 2krb s ASP 51 CO 0.15 -0.15 0.01 -0.36 0.68 0.00 0.00 175.17 175.50 2krb s PHE 52 N 1.87 0.45 -0.59 2.11 0.40 -0.00 -5.03 117.98 117.19 2krb s PHE 52 Ca -0.07 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.27 2krb s PHE 52 Cb -0.05 -0.64 0.14 0.00 0.51 0.00 0.00 43.02 42.98 2krb s PHE 52 CO -0.17 -0.25 0.34 0.71 0.70 0.00 0.00 175.22 176.56 2krb s TYR 53 N 1.78 3.32 1.12 0.36 1.51 -1.26 -1.31 117.35 122.88 2krb s TYR 53 Ca 0.01 -3.23 -0.16 0.00 -1.01 0.00 0.00 57.07 52.67 2krb s TYR 53 Cb -0.13 -2.79 0.25 0.00 -0.11 0.00 0.00 41.96 39.19 2krb s TYR 53 CO -0.04 -0.67 1.11 -1.25 -1.11 0.00 0.00 175.55 173.59 2krb s PRO 54 N -0.71 -0.54 0.25 -1.71 0.04 -1.26 -5.10 135.00 125.97 2krb s PRO 54 Ca 0.20 0.12 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 2krb s PRO 54 Cb -0.18 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2krb s PRO 54 CO -0.06 -3.30 0.32 -1.21 0.04 0.00 0.00 177.00 172.80 2krb s GLU 55 N -5.27 1.48 -0.32 4.56 2.02 -1.26 -4.59 118.70 115.32 2krb s GLU 55 Ca 0.69 -1.54 -0.04 0.00 0.02 0.00 0.00 54.97 54.10 2krb s GLU 55 Cb -0.13 0.37 0.04 0.00 0.10 0.00 0.00 34.13 34.52 2krb s GLU 55 CO 0.56 -0.56 0.06 -1.83 0.02 0.00 0.00 175.26 173.51 2krb s GLU 56 N -3.88 2.53 -1.44 1.61 -1.05 -1.17 -4.71 118.70 110.59 2krb s GLU 56 Ca 0.32 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 2krb s GLU 56 Cb 0.03 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 2krb s GLU 56 CO 0.13 -0.65 0.00 -0.25 0.95 0.00 0.00 175.26 175.44 2krb n ASP 57 N 4.72 -4.24 0.00 0.83 8.00 -1.26 -0.12 116.55 124.49 2krb n ASP 57 Ca -0.13 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2krb n ASP 57 Cb 0.44 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 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 -0.57 0.56 3.85 0.44 0.00 -1.26 -5.06 105.19 103.15 2krb n GLY 58 Ca -0.16 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.60 2.23 -0.28 1.61 1.02 0.83 -5.06 119.74 119.49 2krb s LYS 59 Ca 0.00 -2.24 -0.33 0.00 0.02 0.00 0.00 55.97 53.42 2krb s LYS 59 Cb 0.00 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 2krb s LYS 59 CO 0.00 -0.53 2.17 0.25 -0.92 0.00 0.00 175.35 176.32 2krb n THR 60 N -1.55 0.28 -0.38 2.17 -2.24 -1.26 -3.05 114.28 108.25 2krb n THR 60 Ca -0.11 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 2krb n THR 60 Cb 0.66 -1.99 0.27 0.00 -2.10 0.00 0.00 70.33 67.17 2krb n THR 60 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2krb n LYS 61 N 8.26 -3.52 0.00 -0.78 2.85 -1.26 -4.65 118.16 119.05 2krb n LYS 61 Ca 0.36 -1.02 0.00 0.00 -1.05 0.00 0.00 58.31 56.59 2krb n LYS 61 Cb 0.31 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 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 1.50 0.70 3.14 2.58 0.00 -1.22 -2.95 105.19 108.93 2krb n GLY 62 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.06 0.15 0.21 1.61 5.04 -1.25 -1.30 117.35 121.75 2krb s TYR 63 Ca 0.00 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 2krb s TYR 63 Cb 0.00 -0.11 -0.05 0.00 0.35 0.00 0.00 41.96 42.16 2krb s TYR 63 CO 0.00 -0.39 0.09 0.96 -1.34 0.00 0.00 175.55 174.87 2krb s ILE 64 N -2.58 0.33 -0.02 3.14 -5.25 -1.20 -4.41 121.20 111.21 2krb s ILE 64 Ca -0.05 -1.99 0.00 0.00 -0.99 0.00 0.00 60.65 57.63 2krb s ILE 64 Cb -0.01 -2.45 0.02 0.00 2.95 0.00 0.00 42.46 42.97 2krb s ILE 64 CO -0.04 -0.12 0.00 0.12 -1.79 0.00 0.00 174.94 173.11 2krb s PHE 65 N -3.92 0.19 0.03 1.37 5.36 -0.42 -3.25 117.98 117.33 2krb s PHE 65 Ca 0.35 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.36 2krb s PHE 65 Cb 0.07 -0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.46 2krb s PHE 65 CO 0.10 -0.08 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.21 2krb s LEU 66 N 0.74 2.18 -0.08 6.12 1.43 -0.94 -0.82 118.68 127.31 2krb s LEU 66 Ca -0.07 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 2krb s LEU 66 Cb -0.10 -0.16 0.02 0.00 0.03 0.00 0.00 46.19 45.98 2krb s LEU 66 CO -0.02 -0.14 -0.05 -1.61 0.23 0.00 0.00 176.35 174.77 2krb s GLU 67 N -1.14 1.11 0.76 1.70 2.02 -1.26 -1.08 118.70 120.81 2krb s GLU 67 Ca -0.07 -0.12 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 2krb s GLU 67 Cb -0.08 -1.25 0.08 0.00 0.10 0.00 0.00 34.13 32.99 2krb s GLU 67 CO 0.00 -0.23 1.10 0.71 0.02 0.00 0.00 175.26 176.86 2krb s TYR 68 N 1.61 2.78 -1.65 1.61 1.51 -1.25 -2.38 117.35 119.59 2krb s TYR 68 Ca 0.01 0.52 0.22 0.00 -1.01 0.00 0.00 57.07 56.80 2krb s TYR 68 Cb -0.13 -3.37 1.17 0.00 -0.11 0.00 0.00 41.96 39.52 2krb s TYR 68 CO -0.05 -1.65 1.69 0.00 -1.11 0.00 0.00 175.55 174.43 2krb n ALA 69 N -3.12 2.19 -3.47 3.71 0.00 -1.26 -4.84 120.51 113.72 2krb n ALA 69 Ca 0.09 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2krb n ALA 69 Cb 0.61 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 2krb n ALA 69 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2krb s SER 70 N -2.35 -0.57 0.10 0.00 1.04 -1.26 -5.08 113.70 105.58 2krb s SER 70 Ca 0.25 0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.77 2krb s SER 70 Cb 0.15 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.75 2krb s SER 70 CO 0.30 -0.78 1.55 1.55 0.98 0.00 0.00 173.24 176.84 2krb h PRO 71 N 2.37 0.51 0.00 4.02 0.13 -1.84 -2.80 132.00 134.39 2krb h PRO 71 Ca -0.30 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2krb h PRO 71 Cb 1.24 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2krb h PRO 71 CO 0.37 0.63 0.18 0.00 -0.23 0.00 0.00 178.00 178.95 2krb h ALA 72 N 0.85 1.13 0.04 -0.56 0.00 -1.97 0.66 119.26 119.42 2krb h ALA 72 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 2krb h ALA 72 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2krb h ALA 72 CO 0.01 -0.13 -1.57 0.72 0.00 0.00 0.00 179.25 178.29 2krb n HIS 73 N -2.25 1.06 0.39 0.00 8.25 -1.06 -3.62 115.22 118.00 2krb n HIS 73 Ca -0.01 0.36 -0.18 0.00 -0.26 0.00 0.00 57.72 57.63 2krb n HIS 73 Cb 0.21 -1.12 -0.09 0.00 1.12 0.00 0.00 29.99 30.11 2krb n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2krb h ALA 74 N -0.32 -0.97 0.00 -1.41 0.00 -1.27 0.30 119.26 115.59 2krb h ALA 74 Ca -0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2krb h ALA 74 Cb 1.57 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2krb h ALA 74 CO -0.12 -1.04 -0.07 -0.39 0.00 0.00 0.00 179.25 177.63 2krb h VAL 75 N -0.98 0.90 0.17 0.00 -1.51 -1.13 -2.24 116.25 111.45 2krb h VAL 75 Ca -0.10 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 2krb h VAL 75 Cb 0.75 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2krb h VAL 75 CO 0.16 0.07 -0.08 -0.78 -1.23 0.00 0.00 177.57 175.71 2krb h ASP 76 N 0.00 -0.19 -0.91 4.19 3.58 -1.61 -3.30 116.42 118.18 2krb h ASP 76 Ca -0.00 -0.27 0.16 0.00 0.42 0.00 0.00 57.03 57.34 2krb h ASP 76 Cb 0.14 0.05 -0.10 0.00 1.72 0.00 0.00 39.33 41.14 2krb h ASP 76 CO 0.01 0.37 0.51 0.00 -2.88 0.00 0.00 179.24 177.25 2krb h ALA 77 N -0.59 1.43 -0.96 -0.78 0.00 -0.53 0.41 119.26 118.24 2krb h ALA 77 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2krb h ALA 77 Cb 0.45 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2krb h ALA 77 CO 0.04 -0.07 0.63 0.28 0.00 0.00 0.00 179.25 180.13 2krb h VAL 78 N 0.68 1.12 -0.12 0.00 2.07 -1.57 0.79 116.25 119.22 2krb h VAL 78 Ca 0.51 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2krb h VAL 78 Cb 0.75 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2krb h VAL 78 CO -0.37 0.21 0.00 0.29 0.02 0.00 0.00 177.57 177.72 2krb n LYS 79 N -4.47 1.62 0.00 1.57 4.01 0.05 -3.67 118.16 117.27 2krb n LYS 79 Ca 0.14 -0.92 0.00 0.00 -0.51 0.00 0.00 58.31 57.02 2krb n LYS 79 Cb 0.15 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 2krb n LYS 79 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2krb n ASN 80 N 0.14 4.72 -1.03 4.39 3.02 -0.68 -4.77 115.26 121.05 2krb n ASN 80 Ca 0.16 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.78 2krb n ASN 80 Cb 0.29 0.43 0.26 0.00 -0.61 0.00 0.00 39.78 40.16 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 -2.01 3.26 -1.53 5.41 0.00 0.21 -4.97 120.51 120.88 2krb n ALA 81 Ca 0.00 -2.38 -0.13 0.00 0.00 0.00 0.00 53.44 50.93 2krb n ALA 81 Cb 0.48 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.50 1.14 -0.18 0.00 2.03 -1.24 -3.82 116.55 113.97 2krb n ASP 82 Ca 0.24 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.76 2krb n ASP 82 Cb 0.95 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 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 6.32 0.55 3.69 0.27 0.00 -1.25 -4.88 105.19 109.88 2krb n GLY 83 Ca 0.43 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 2krb n GLY 83 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2krb n TYR 84 N -0.07 2.49 -1.16 1.61 4.01 -1.25 -4.71 117.16 118.09 2krb n TYR 84 Ca 0.00 0.11 -0.27 0.00 -0.16 0.00 0.00 57.90 57.58 2krb n TYR 84 Cb 0.00 -2.62 -0.09 0.00 -0.31 0.00 0.00 39.34 36.32 2krb n TYR 84 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2krb n LYS 85 N 4.14 2.94 0.18 -0.72 0.00 -1.26 -4.44 118.16 119.01 2krb n LYS 85 Ca 0.17 -1.67 0.16 0.00 -0.00 0.00 0.00 58.31 56.97 2krb n LYS 85 Cb 0.32 -2.45 0.78 0.00 -0.00 0.00 0.00 35.03 33.68 2krb n LYS 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2krb h LEU 86 N 6.20 0.00 -2.34 -5.58 5.85 -1.95 -3.47 115.31 114.02 2krb h LEU 86 Ca 0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.30 2krb h LEU 86 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2krb h LEU 86 CO 1.13 0.00 -0.26 -0.67 -0.34 0.00 0.00 178.44 178.30 2krb n ASP 87 N -4.00 -7.74 0.08 1.25 2.03 -1.26 -5.03 116.55 101.88 2krb n ASP 87 Ca 0.02 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2krb n ASP 87 Cb 0.33 -5.25 0.00 0.00 -0.72 0.00 0.00 41.12 35.47 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 -0.98 0.00 0.00 -0.67 4.81 -1.26 -5.12 118.16 114.94 2krb n LYS 88 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2krb n LYS 88 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 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 -3.01 0.00 -4.56 1.64 3.00 -1.26 -5.15 117.38 108.05 2krb n GLN 89 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2krb n GLN 89 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.12 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 -0.56 2.65 0.82 1.08 3.76 -1.26 -5.14 115.29 116.64 2krb s HIS 90 Ca 0.00 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.60 2krb s HIS 90 Cb 0.00 -1.49 0.08 0.00 1.11 0.00 0.00 32.58 32.28 2krb s HIS 90 CO 0.00 0.30 1.09 0.99 -0.85 0.00 0.00 174.74 176.27 2krb s THR 91 N -0.97 3.06 0.67 1.30 2.01 -1.26 -5.01 115.64 115.43 2krb s THR 91 Ca 0.16 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 2krb s THR 91 Cb -0.11 -2.99 0.08 0.00 0.01 0.00 0.00 72.50 69.50 2krb s THR 91 CO 0.07 -0.45 0.94 -0.36 -0.69 0.00 0.00 174.62 174.13 2krb s PHE 92 N -3.05 2.31 -0.40 4.92 0.40 -1.26 -4.87 117.98 116.02 2krb s PHE 92 Ca 0.61 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 2krb s PHE 92 Cb -0.16 -3.01 0.15 0.00 0.51 0.00 0.00 43.02 40.51 2krb s PHE 92 CO 0.55 -1.40 0.26 1.03 0.70 0.00 0.00 175.22 176.36 2krb s ARG 93 N -5.07 0.86 -0.25 0.44 1.81 -1.09 -3.85 118.95 111.81 2krb s ARG 93 Ca 0.62 -1.74 -0.29 0.00 -1.72 0.00 0.00 55.73 52.60 2krb s ARG 93 Cb -0.08 -1.62 0.01 0.00 -0.45 0.00 0.00 34.95 32.80 2krb s ARG 93 CO 0.43 -1.25 1.11 0.08 -0.68 0.00 0.00 175.30 174.99 2krb s VAL 94 N 0.57 4.52 0.00 3.52 1.01 -1.26 -2.49 120.40 126.27 2krb s VAL 94 Ca 0.22 1.81 0.00 0.00 0.00 0.00 0.00 61.98 64.01 2krb s VAL 94 Cb -0.16 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2krb s VAL 94 CO -0.05 -0.27 0.04 0.59 0.00 0.00 0.00 175.10 175.41