#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 1.77 -4.25 -1.12 7.64 -1.26 -4.32 113.62 112.07 2krb n SER 16 Ca 0.00 -1.44 -0.14 0.00 1.01 0.00 0.00 58.87 58.30 2krb n SER 16 Cb 0.00 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.64 0.39 0.08 0.44 -7.23 -1.26 -2.41 120.40 109.77 2krb s VAL 17 Ca 0.09 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2krb s VAL 17 Cb 0.06 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2krb s VAL 17 CO 0.08 -0.14 -0.09 0.27 -0.31 0.00 0.00 175.10 174.91 2krb s ILE 18 N -3.87 0.79 0.05 -0.62 -4.36 0.18 -4.81 121.20 108.56 2krb s ILE 18 Ca 0.34 -1.58 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 2krb s ILE 18 Cb 0.07 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.49 2krb s ILE 18 CO 0.10 -0.59 -0.05 -0.69 0.24 0.00 0.00 174.94 173.95 2krb s VAL 19 N -2.46 0.39 0.12 8.37 1.01 0.41 -1.85 120.40 126.39 2krb s VAL 19 Ca 0.03 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 60.70 2krb s VAL 19 Cb -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2krb s VAL 19 CO -0.01 -0.64 -0.11 0.68 0.00 0.00 0.00 175.10 175.02 2krb s VAL 20 N -2.37 1.10 0.26 2.92 -7.23 -1.22 -0.81 120.40 113.05 2krb s VAL 20 Ca -0.04 -1.77 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2krb s VAL 20 Cb -0.03 -1.53 -0.06 0.00 0.56 0.00 0.00 36.38 35.32 2krb s VAL 20 CO -0.03 -0.57 -0.01 -0.62 -0.31 0.00 0.00 175.10 173.56 2krb s ASP 21 N -2.63 2.21 -1.51 4.85 -1.08 -1.22 -3.66 116.67 113.63 2krb s ASP 21 Ca 0.09 -1.23 -0.06 0.00 -0.52 0.00 0.00 52.55 50.83 2krb s ASP 21 Cb -0.02 -0.06 0.02 0.00 -1.46 0.00 0.00 42.92 41.39 2krb s ASP 21 CO 0.01 -0.47 0.69 0.59 0.52 0.00 0.00 175.17 176.51 2krb n ASN 22 N -0.51 -5.89 -4.28 -0.34 3.02 -1.00 -3.33 115.26 102.93 2krb n ASN 22 Ca -0.05 -0.35 -0.43 0.00 -0.03 0.00 0.00 54.58 53.72 2krb n ASN 22 Cb 0.64 -4.74 -0.02 0.00 -0.61 0.00 0.00 39.78 35.04 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 5.44 0.69 2.41 0.11 -0.20 -4.81 120.40 120.86 2krb s VAL 23 Ca 0.36 -3.19 -0.14 0.00 -2.93 0.00 0.00 61.98 56.08 2krb s VAL 23 Cb -0.17 -4.32 0.01 0.00 -1.53 0.00 0.00 36.38 30.37 2krb s VAL 23 CO 0.45 -1.10 1.12 -2.16 -3.33 0.00 0.00 175.10 170.08 2krb s PRO 24 N -0.77 2.63 0.81 1.54 0.04 -1.25 -3.22 135.00 134.77 2krb s PRO 24 Ca 0.25 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 2krb s PRO 24 Cb -0.10 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2krb s PRO 24 CO -0.09 -1.38 1.12 -1.14 0.04 0.00 0.00 177.00 175.55 2krb s GLN 25 N -4.20 1.98 0.19 4.56 0.74 -1.23 -4.95 119.66 116.76 2krb s GLN 25 Ca 0.67 0.44 0.01 0.00 0.05 0.00 0.00 55.36 56.53 2krb s GLN 25 Cb -0.21 -1.92 -0.05 0.00 1.10 0.00 0.00 33.01 31.93 2krb s GLN 25 CO 0.44 -1.65 0.04 0.14 -0.55 0.00 0.00 175.29 173.72 2krb s VAL 26 N -3.29 0.54 0.12 1.34 -7.23 -1.26 -5.00 120.40 105.62 2krb s VAL 26 Ca 0.61 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2krb s VAL 26 Cb -0.13 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.56 2krb s VAL 26 CO 0.53 -0.32 0.14 0.61 -0.31 0.00 0.00 175.10 175.75 2krb n GLY 27 N -0.29 -1.72 3.55 2.32 0.00 -1.26 -4.53 105.19 103.26 2krb n GLY 27 Ca -0.04 -1.58 -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 -3.30 -0.49 -0.28 1.61 0.04 -1.26 -1.79 135.00 129.54 2krb s PRO 28 Ca 0.08 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2krb s PRO 28 Cb -0.00 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2krb s PRO 28 CO 0.06 -3.41 0.00 -3.47 0.04 0.00 0.00 177.00 170.21 2krb n ASP 29 N -4.69 -5.62 0.00 6.66 -0.08 -1.26 -4.49 116.55 107.07 2krb n ASP 29 Ca 0.04 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2krb n ASP 29 Cb 0.55 -3.35 0.00 0.00 2.34 0.00 0.00 41.12 40.66 2krb n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2krb n ARG 30 N 0.16 0.32 -0.22 -0.67 0.63 -1.23 -4.94 116.66 110.69 2krb n ARG 30 Ca -0.03 0.00 0.23 0.00 -0.92 0.00 0.00 57.85 57.14 2krb n ARG 30 Cb 0.47 -0.16 0.59 0.00 0.45 0.00 0.00 32.46 33.82 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 -0.14 6.15 -0.00 -1.58 -1.20 115.31 118.80 2krb h LEU 31 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 2krb h LEU 31 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2krb h LEU 31 CO 0.00 0.09 -0.02 -0.33 -0.00 0.00 0.00 178.44 178.18 2krb h GLU 32 N 0.25 0.26 -0.89 0.17 4.39 -1.92 -2.90 114.58 113.94 2krb h GLU 32 Ca 0.46 -0.09 0.18 0.00 0.34 0.00 0.00 59.36 60.25 2krb h GLU 32 Cb 1.41 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.97 2krb h GLU 32 CO -0.12 0.52 0.58 0.87 -1.16 0.00 0.00 179.01 179.70 2krb h LYS 33 N -0.02 0.52 -0.61 2.33 1.79 -1.59 -0.30 116.57 118.69 2krb h LYS 33 Ca 0.04 -0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.60 2krb h LYS 33 Cb 0.42 -0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 30.84 2krb h LYS 33 CO 0.01 0.34 -0.11 1.25 -1.08 0.00 0.00 179.45 179.87 2krb h LEU 34 N 0.54 -0.48 0.00 2.94 5.85 -1.28 0.33 115.31 123.21 2krb h LEU 34 Ca 0.46 0.17 -0.26 0.00 0.84 0.00 0.00 57.88 59.09 2krb h LEU 34 Cb 0.96 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 2krb h LEU 34 CO -0.20 -0.18 -1.70 1.17 -0.34 0.00 0.00 178.44 177.19 2krb n LYS 35 N -5.38 0.63 0.39 1.25 0.00 -0.97 -4.08 118.16 110.01 2krb n LYS 35 Ca 0.08 0.24 -0.18 0.00 0.00 0.00 0.00 58.31 58.44 2krb n LYS 35 Cb 0.33 -1.77 -0.09 0.00 0.00 0.00 0.00 35.03 33.50 2krb n LYS 35 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2krb h ASN 36 N 0.00 -0.90 -0.96 3.14 -0.26 -0.50 -3.03 115.58 113.06 2krb h ASN 36 Ca -0.27 0.04 0.21 0.00 -0.56 0.00 0.00 56.30 55.71 2krb h ASN 36 Cb 1.91 0.24 -0.08 0.00 -1.06 0.00 0.00 38.32 39.33 2krb h ASN 36 CO 0.06 -0.61 0.62 -0.37 -1.06 0.00 0.00 177.43 176.07 2krb h VAL 37 N -1.00 0.67 -0.43 2.81 -1.51 -0.56 0.20 116.25 116.43 2krb h VAL 37 Ca -0.10 -0.18 0.07 0.00 -1.23 0.00 0.00 66.70 65.26 2krb h VAL 37 Cb 0.78 0.09 -0.06 0.00 -2.13 0.00 0.00 31.29 29.97 2krb h VAL 37 CO 0.14 0.10 0.08 0.40 -1.23 0.00 0.00 177.57 177.06 2krb h ILE 38 N 0.53 0.76 -0.07 7.19 5.03 -1.68 0.25 117.51 129.52 2krb h ILE 38 Ca 0.52 -0.07 -0.06 0.00 -0.12 0.00 0.00 64.86 65.13 2krb h ILE 38 Cb 1.12 0.53 -0.01 0.00 -3.03 0.00 0.00 36.82 35.43 2krb h ILE 38 CO -0.26 0.04 -0.23 0.45 -0.68 0.00 0.00 178.15 177.47 2krb h HIS 39 N 0.21 0.12 0.01 1.37 3.86 -0.50 -2.67 115.15 117.54 2krb h HIS 39 Ca 0.21 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 2krb h HIS 39 Cb 0.27 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2krb h HIS 39 CO -0.22 0.34 -0.44 0.87 0.86 0.00 0.00 177.93 179.35 2krb h LYS 40 N 0.11 0.01 -0.86 2.45 6.56 -1.08 -3.02 116.57 120.74 2krb h LYS 40 Ca 0.02 -0.02 0.08 0.00 -1.06 0.00 0.00 60.65 59.67 2krb h LYS 40 Cb 0.47 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.08 2krb h LYS 40 CO 0.03 1.01 0.56 0.97 -2.06 0.00 0.00 179.45 179.96 2krb h ILE 41 N -0.97 1.01 -0.05 1.86 -0.00 -0.59 -0.92 117.51 117.86 2krb h ILE 41 Ca -0.12 -0.31 0.00 0.00 -0.00 0.00 0.00 64.86 64.43 2krb h ILE 41 Cb 1.12 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.97 2krb h ILE 41 CO -0.06 0.17 0.00 0.49 -0.00 0.00 0.00 178.15 178.74 2krb n PHE 42 N -4.51 0.04 -0.05 2.19 3.72 -1.01 -4.11 117.46 113.74 2krb n PHE 42 Ca 0.14 -0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.41 2krb n PHE 42 Cb 0.26 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.83 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 2.61 0.78 -0.02 4.37 0.87 -1.02 -3.09 113.55 118.05 2krb h SER 43 Ca 0.00 -0.37 0.01 0.00 -1.23 0.00 0.00 61.79 60.19 2krb h SER 43 Cb 0.56 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2krb h SER 43 CO 0.00 1.11 0.03 0.07 -0.53 0.00 0.00 176.83 177.50 2krb h LYS 44 N 0.58 0.00 -0.01 2.24 2.10 -1.71 -0.43 116.57 119.34 2krb h LYS 44 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2krb h LYS 44 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 2krb h LYS 44 CO 0.09 0.00 -0.45 1.19 -2.00 0.00 0.00 179.45 178.29 2krb n PHE 45 N -3.73 0.00 0.00 0.07 3.72 -1.17 -5.08 117.46 111.27 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 0.11 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 1.42 0.59 3.28 1.37 0.00 -0.17 -4.91 105.19 106.77 2krb n GLY 46 Ca 0.09 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.95 2.21 -0.02 1.61 2.47 -1.26 -4.08 119.74 118.72 2krb s LYS 47 Ca 0.00 -0.89 -0.18 0.00 -1.56 0.00 0.00 55.97 53.34 2krb s LYS 47 Cb 0.00 -2.02 -0.05 0.00 -1.46 0.00 0.00 37.83 34.29 2krb s LYS 47 CO 0.00 0.48 0.52 0.42 0.16 0.00 0.00 175.35 176.92 2krb s ILE 48 N -0.42 4.98 -0.21 5.43 1.09 -1.26 -4.54 121.20 126.26 2krb s ILE 48 Ca 0.05 1.07 0.13 0.00 -1.10 0.00 0.00 60.65 60.79 2krb s ILE 48 Cb -0.11 -3.84 -0.18 0.00 -1.06 0.00 0.00 42.46 37.26 2krb s ILE 48 CO 0.01 0.46 0.37 1.07 -0.10 0.00 0.00 174.94 176.75 2krb n THR 49 N 2.56 0.00 -4.33 2.92 5.66 -1.23 -5.02 114.28 114.84 2krb n THR 49 Ca -0.09 -0.27 -0.20 0.00 -3.05 0.00 0.00 64.05 60.44 2krb n THR 49 Cb 0.51 0.47 -0.11 0.00 -1.55 0.00 0.00 70.33 69.66 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 -3.07 2.60 -0.30 1.09 0.01 -0.93 -5.03 114.94 109.32 2krb s ASN 50 Ca -0.02 -0.93 -0.10 0.00 -0.71 0.00 0.00 52.86 51.11 2krb s ASN 50 Cb 0.09 -0.15 0.16 0.00 0.41 0.00 0.00 41.25 41.77 2krb s ASN 50 CO 0.54 -0.10 0.80 1.51 -1.51 0.00 0.00 177.10 178.34 2krb s ASP 51 N -2.95 -0.93 -0.06 -1.22 1.47 -1.26 -3.68 116.67 108.04 2krb s ASP 51 Ca 0.18 0.95 0.02 0.00 1.18 0.00 0.00 52.55 54.88 2krb s ASP 51 Cb -0.04 1.93 0.02 0.00 -0.34 0.00 0.00 42.92 44.49 2krb s ASP 51 CO 0.07 -0.18 -0.08 -0.36 0.68 0.00 0.00 175.17 175.30 2krb s PHE 52 N 2.77 1.12 -0.58 2.11 0.08 0.37 -5.03 117.98 118.81 2krb s PHE 52 Ca 0.03 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.73 2krb s PHE 52 Cb -0.11 -0.89 0.14 0.00 -0.57 0.00 0.00 43.02 41.60 2krb s PHE 52 CO -0.18 -0.25 0.34 0.71 -0.10 0.00 0.00 175.22 175.75 2krb s TYR 53 N 0.84 3.28 1.10 0.36 1.51 -1.26 -1.31 117.35 121.87 2krb s TYR 53 Ca -0.12 -3.21 -0.16 0.00 -1.01 0.00 0.00 57.07 52.57 2krb s TYR 53 Cb -0.15 -2.74 0.24 0.00 -0.11 0.00 0.00 41.96 39.20 2krb s TYR 53 CO 0.01 -0.67 1.10 -1.25 -1.11 0.00 0.00 175.55 173.63 2krb s PRO 54 N -0.70 -0.43 0.27 -1.71 0.04 -1.26 -5.10 135.00 126.11 2krb s PRO 54 Ca 0.20 0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.43 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 -3.24 0.32 -1.21 0.04 0.00 0.00 177.00 172.85 2krb s GLU 55 N -5.18 1.55 -0.31 4.56 2.02 -1.26 -4.58 118.70 115.50 2krb s GLU 55 Ca 0.68 -1.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 2krb s GLU 55 Cb -0.14 0.37 0.06 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 0.00 175.26 173.45 2krb s GLU 56 N -3.72 2.29 -1.58 1.61 -1.05 -1.01 -4.71 118.70 110.52 2krb s GLU 56 Ca 0.34 -1.39 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 2krb s GLU 56 Cb 0.03 -3.21 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 2krb s GLU 56 CO 0.16 -0.70 0.00 -3.47 0.95 0.00 0.00 175.26 172.20 2krb n ASP 57 N 4.57 -4.53 0.00 0.83 2.03 -1.26 -0.21 116.55 117.98 2krb n ASP 57 Ca -0.11 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2krb n ASP 57 Cb 0.43 -3.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.86 2krb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krb n GLY 58 N -0.57 0.63 3.75 0.27 0.00 -1.26 -5.06 105.19 102.94 2krb n GLY 58 Ca -0.18 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.43 2.22 -0.39 1.61 1.02 0.70 -5.07 119.74 119.41 2krb s LYS 59 Ca 0.00 -1.90 -0.42 0.00 0.02 0.00 0.00 55.97 53.67 2krb s LYS 59 Cb 0.00 -1.95 -0.17 0.00 -0.52 0.00 0.00 37.83 35.19 2krb s LYS 59 CO 0.00 -0.18 1.84 0.25 -0.92 0.00 0.00 175.35 176.35 2krb n THR 60 N -1.28 0.16 -0.91 2.17 -2.24 -1.26 -2.41 114.28 108.51 2krb n THR 60 Ca -0.02 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 2krb n THR 60 Cb 0.65 -0.98 0.25 0.00 -2.10 0.00 0.00 70.33 68.15 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 4.23 -1.64 0.00 -0.78 -2.85 -1.26 -4.57 119.74 112.86 2krb s LYS 61 Ca 1.06 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 56.00 2krb s LYS 61 Cb -1.23 -1.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.00 2krb s LYS 61 CO 0.68 -4.00 0.00 0.41 0.10 0.00 0.00 175.35 172.54 2krb n GLY 62 N -0.40 1.00 3.21 0.59 0.00 -1.20 -3.51 105.19 104.88 2krb n GLY 62 Ca 0.13 0.00 -0.12 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 -0.09 0.17 1.61 5.04 -1.25 -1.03 117.35 121.79 2krb s TYR 63 Ca 0.00 0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.70 2krb s TYR 63 Cb 0.00 0.05 -0.05 0.00 0.35 0.00 0.00 41.96 42.32 2krb s TYR 63 CO 0.00 -0.40 0.01 0.96 -1.34 0.00 0.00 175.55 174.78 2krb s ILE 64 N -1.76 0.61 -0.06 3.14 -5.25 -1.24 -4.35 121.20 112.29 2krb s ILE 64 Ca -0.11 -1.97 -0.00 0.00 -0.99 0.00 0.00 60.65 57.58 2krb s ILE 64 Cb -0.04 -2.12 0.02 0.00 2.95 0.00 0.00 42.46 43.27 2krb s ILE 64 CO 0.01 -0.47 -0.02 0.12 -1.79 0.00 0.00 174.94 172.79 2krb s PHE 65 N -3.71 0.70 -0.01 1.37 5.36 -0.43 -3.39 117.98 117.88 2krb s PHE 65 Ca 0.24 -0.19 0.04 0.00 -0.96 0.00 0.00 56.93 56.06 2krb s PHE 65 Cb 0.06 -0.72 -0.01 0.00 -0.34 0.00 0.00 43.02 42.01 2krb s PHE 65 CO 0.04 -0.25 -0.13 -0.51 -1.46 0.00 0.00 175.22 172.90 2krb s LEU 66 N 1.39 2.02 -0.09 6.12 1.02 -0.77 -0.48 118.68 127.88 2krb s LEU 66 Ca -0.04 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.88 2krb s LEU 66 Cb -0.13 -0.68 0.02 0.00 0.02 0.00 0.00 46.19 45.41 2krb s LEU 66 CO -0.03 0.16 -0.10 -1.61 0.02 0.00 0.00 176.35 174.79 2krb s GLU 67 N -0.30 1.69 0.72 1.70 2.02 -1.24 -0.65 118.70 122.64 2krb s GLU 67 Ca 0.05 -0.36 -0.05 0.00 0.02 0.00 0.00 54.97 54.63 2krb s GLU 67 Cb -0.05 -1.56 0.10 0.00 0.10 0.00 0.00 34.13 32.72 2krb s GLU 67 CO -0.00 -0.12 1.01 0.71 0.02 0.00 0.00 175.26 176.87 2krb s TYR 68 N 1.19 2.25 -2.12 1.61 2.02 -1.01 -2.20 117.35 119.10 2krb s TYR 68 Ca -0.04 0.09 0.30 0.00 -0.37 0.00 0.00 57.07 57.05 2krb s TYR 68 Cb -0.14 -3.18 1.48 0.00 -0.40 0.00 0.00 41.96 39.72 2krb s TYR 68 CO -0.03 -1.60 1.99 0.00 -1.57 0.00 0.00 175.55 174.34 2krb n ALA 69 N -2.92 2.66 -3.35 3.71 0.00 -1.26 -4.88 120.51 114.47 2krb n ALA 69 Ca 0.11 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 2krb n ALA 69 Cb 0.60 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.08 -0.44 -0.00 0.00 1.04 -1.26 -5.07 113.70 105.88 2krb s SER 70 Ca 0.41 -0.16 -0.25 0.00 0.48 0.00 0.00 55.95 56.42 2krb s SER 70 Cb 0.21 0.58 -0.19 0.00 0.10 0.00 0.00 66.02 66.72 2krb s SER 70 CO 0.38 -0.98 1.35 1.55 0.98 0.00 0.00 173.24 176.52 2krb h PRO 71 N 2.10 0.01 -0.82 4.02 0.13 -1.86 -3.02 132.00 132.56 2krb h PRO 71 Ca -0.32 -0.01 0.23 0.00 -0.87 0.00 0.00 66.00 65.04 2krb h PRO 71 Cb 1.29 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 2krb h PRO 71 CO 0.39 0.41 0.59 0.00 -0.23 0.00 0.00 178.00 179.15 2krb h ALA 72 N 0.60 2.75 -0.03 -0.56 0.00 -1.98 0.76 119.26 120.80 2krb h ALA 72 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2krb h ALA 72 Cb 0.41 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2krb h ALA 72 CO 0.00 -0.99 -0.25 1.25 0.00 0.00 0.00 179.25 179.27 2krb h HIS 73 N 0.01 0.31 0.34 0.00 6.17 -1.89 -2.84 115.15 117.25 2krb h HIS 73 Ca 0.39 -0.15 -0.02 0.00 0.71 0.00 0.00 60.37 61.31 2krb h HIS 73 Cb 1.54 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 31.43 2krb h HIS 73 CO -0.00 0.89 -0.16 0.00 0.71 0.00 0.00 177.93 179.37 2krb h ALA 74 N 0.36 -0.45 -0.62 5.26 0.00 -1.09 -1.69 119.26 121.02 2krb h ALA 74 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2krb h ALA 74 Cb 0.93 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2krb h ALA 74 CO 0.05 -0.64 0.41 -0.39 0.00 0.00 0.00 179.25 178.69 2krb h VAL 75 N -0.69 1.12 0.46 0.00 -1.51 -1.05 -1.61 116.25 112.97 2krb h VAL 75 Ca -0.05 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 65.13 2krb h VAL 75 Cb 0.48 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2krb h VAL 75 CO 0.08 0.14 -0.22 -0.78 -1.23 0.00 0.00 177.57 175.56 2krb h ASP 76 N 0.79 -0.52 -0.76 4.19 3.58 -1.53 -3.10 116.42 119.07 2krb h ASP 76 Ca 0.24 -0.09 0.14 0.00 0.42 0.00 0.00 57.03 57.74 2krb h ASP 76 Cb -0.01 0.14 -0.09 0.00 1.72 0.00 0.00 39.33 41.09 2krb h ASP 76 CO -0.06 -0.17 0.33 0.00 -2.88 0.00 0.00 179.24 176.46 2krb h ALA 77 N -0.57 1.09 -0.33 -0.78 0.00 -0.75 0.05 119.26 117.98 2krb h ALA 77 Ca -0.06 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2krb h ALA 77 Cb 0.58 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2krb h ALA 77 CO 0.10 -0.17 0.22 0.28 0.00 0.00 0.00 179.25 179.68 2krb h VAL 78 N 0.49 1.06 -0.36 0.00 2.07 -1.40 -0.31 116.25 117.81 2krb h VAL 78 Ca 0.42 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2krb h VAL 78 Cb 0.60 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2krb h VAL 78 CO -0.38 0.07 0.00 0.29 0.02 0.00 0.00 177.57 177.57 2krb n LYS 79 N -4.49 2.10 0.00 1.57 4.01 -0.06 -3.89 118.16 117.40 2krb n LYS 79 Ca 0.02 -1.69 0.00 0.00 -0.51 0.00 0.00 58.31 56.14 2krb n LYS 79 Cb 0.10 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 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 0.88 3.51 -0.71 4.39 3.02 -0.81 -4.83 115.26 120.72 2krb n ASN 80 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.78 2krb n ASN 80 Cb 0.44 0.41 0.21 0.00 -0.61 0.00 0.00 39.78 40.23 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 -1.47 3.15 -0.00 5.41 0.00 -0.19 -4.95 120.51 122.47 2krb n ALA 81 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.77 2krb n ALA 81 Cb 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2krb n ALA 81 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2krb n ASP 82 N -0.96 0.00 0.00 0.00 5.75 -1.25 -4.01 116.55 116.08 2krb n ASP 82 Ca 0.22 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 2krb n ASP 82 Cb 0.84 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 2krb n ASP 82 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2krb n GLY 83 N 3.49 0.95 3.69 6.12 0.00 -1.25 -4.75 105.19 113.44 2krb n GLY 83 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 1.71 -2.85 1.61 4.01 -1.26 -4.70 117.16 115.68 2krb n TYR 84 Ca 0.00 0.44 -0.43 0.00 -0.16 0.00 0.00 57.90 57.75 2krb n TYR 84 Cb 0.00 -2.27 0.01 0.00 -0.31 0.00 0.00 39.34 36.77 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 -1.17 4.01 0.00 -0.72 0.00 -1.26 -4.41 118.16 114.61 2krb n LYS 85 Ca 0.13 -4.19 0.02 0.00 -0.00 0.00 0.00 58.31 54.27 2krb n LYS 85 Cb 0.46 -2.68 0.12 0.00 -0.00 0.00 0.00 35.03 32.92 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 2.61 0.00 -2.55 -5.58 7.94 -1.26 -4.84 117.00 113.32 2krb n LEU 86 Ca 0.31 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.09 2krb n LEU 86 Cb 0.36 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.36 2krb n LEU 86 CO 0.71 0.00 0.09 -0.67 -1.11 0.00 0.00 177.39 176.41 2krb n ASP 87 N -0.63 -2.68 -3.89 1.96 2.03 -1.26 -5.05 116.55 107.04 2krb n ASP 87 Ca 0.03 -0.39 -0.14 0.00 0.52 0.00 0.00 54.79 54.82 2krb n ASP 87 Cb 0.01 -3.48 -0.08 0.00 -0.72 0.00 0.00 41.12 36.85 2krb n ASP 87 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2krb s LYS 88 N -5.10 1.44 0.12 -0.67 -0.14 -1.26 -5.08 119.74 109.04 2krb s LYS 88 Ca 0.09 -1.68 -0.09 0.00 -1.36 0.00 0.00 55.97 52.93 2krb s LYS 88 Cb -0.04 0.33 -0.11 0.00 -1.68 0.00 0.00 37.83 36.32 2krb s LYS 88 CO 0.47 -0.52 1.31 -0.56 -0.76 0.00 0.00 175.35 175.28 2krb h GLN 89 N 2.41 0.61 -5.91 1.68 3.07 -2.02 -3.44 115.11 111.51 2krb h GLN 89 Ca -0.31 -0.57 -0.58 0.00 0.09 0.00 0.00 58.65 57.28 2krb h GLN 89 Cb 1.24 0.14 -0.07 0.00 0.08 0.00 0.00 27.48 28.88 2krb h GLN 89 CO 0.45 1.18 -0.10 -1.01 0.09 0.00 0.00 178.83 179.44 2krb s HIS 90 N -3.52 3.61 0.30 0.06 3.76 -1.26 -5.09 115.29 113.16 2krb s HIS 90 Ca -0.08 1.02 0.09 0.00 -0.15 0.00 0.00 55.06 55.94 2krb s HIS 90 Cb 0.09 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 2krb s HIS 90 CO 0.89 0.32 0.08 0.99 -0.85 0.00 0.00 174.74 176.17 2krb s THR 91 N 0.03 3.28 0.71 1.30 2.01 -1.26 -4.93 115.64 116.76 2krb s THR 91 Ca 0.27 -1.78 -0.06 0.00 0.31 0.00 0.00 61.69 60.43 2krb s THR 91 Cb -0.17 -2.94 0.07 0.00 0.01 0.00 0.00 72.50 69.47 2krb s THR 91 CO 0.13 -0.27 1.01 -0.36 -0.69 0.00 0.00 174.62 174.44 2krb s PHE 92 N -2.37 2.75 -0.42 4.92 0.40 -1.26 -4.84 117.98 117.15 2krb s PHE 92 Ca 0.35 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 57.04 2krb s PHE 92 Cb -0.04 -3.19 0.15 0.00 0.51 0.00 0.00 43.02 40.45 2krb s PHE 92 CO 0.21 -1.45 0.29 1.03 0.70 0.00 0.00 175.22 176.01 2krb s ARG 93 N -5.23 1.00 -0.10 0.44 1.81 -1.21 -3.94 118.95 111.72 2krb s ARG 93 Ca 0.61 -1.96 -0.30 0.00 -1.72 0.00 0.00 55.73 52.37 2krb s ARG 93 Cb -0.10 -1.73 -0.03 0.00 -0.45 0.00 0.00 34.95 32.64 2krb s ARG 93 CO 0.45 -1.28 1.35 0.08 -0.68 0.00 0.00 175.30 175.21 2krb s VAL 94 N 0.29 4.05 0.00 3.52 1.01 -1.26 -3.38 120.40 124.63 2krb s VAL 94 Ca 0.25 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2krb s VAL 94 Cb -0.11 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2krb s VAL 94 CO -0.09 -0.08 0.00 0.59 0.00 0.00 0.00 175.10 175.52