#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bp7 s ILE 1 N 0.00 3.15 0.02 2.02 -5.25 -1.26 -5.05 121.20 114.82 3bp7 s ILE 1 Ca 0.00 0.83 0.01 0.00 -0.99 0.00 0.00 60.65 60.49 3bp7 s ILE 1 Cb 0.00 -3.40 -0.01 0.00 2.95 0.00 0.00 42.46 42.00 3bp7 s ILE 1 CO 0.00 -0.05 -0.04 -1.10 -1.79 0.00 0.00 174.94 171.96 3bp7 s GLN 2 N -2.83 0.32 -0.06 0.37 -0.21 -1.26 -4.63 119.66 111.36 3bp7 s GLN 2 Ca 0.65 -0.42 0.01 0.00 0.02 0.00 0.00 55.36 55.63 3bp7 s GLN 2 Cb -0.27 -0.13 0.02 0.00 1.00 0.00 0.00 33.01 33.63 3bp7 s GLN 2 CO 0.33 0.02 -0.07 1.03 -2.12 0.00 0.00 175.29 174.48 3bp7 s ARG 3 N -0.87 1.17 0.24 2.91 0.52 0.25 -4.94 118.95 118.24 3bp7 s ARG 3 Ca -0.07 -0.21 -0.19 0.00 -0.52 0.00 0.00 55.73 54.74 3bp7 s ARG 3 Cb -0.06 -1.10 -0.08 0.00 0.52 0.00 0.00 34.95 34.23 3bp7 s ARG 3 CO -0.00 -0.07 0.74 -0.08 0.02 0.00 0.00 175.30 175.91 3bp7 s THR 4 N 0.95 4.56 0.34 0.02 -1.32 -1.26 -1.94 115.64 116.98 3bp7 s THR 4 Ca -0.10 1.27 -0.29 0.00 -1.21 0.00 0.00 61.69 61.36 3bp7 s THR 4 Cb -0.15 -3.83 -0.10 0.00 -1.51 0.00 0.00 72.50 66.91 3bp7 s THR 4 CO 0.00 0.15 1.36 -2.16 -2.21 0.00 0.00 174.62 171.76 3bp7 s PRO 5 N -2.13 4.29 0.40 7.08 0.04 -1.26 -4.48 135.00 138.93 3bp7 s PRO 5 Ca 0.45 2.31 -0.24 0.00 0.04 0.00 0.00 61.00 63.57 3bp7 s PRO 5 Cb -0.16 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 3bp7 s PRO 5 CO 0.21 -0.29 1.03 0.15 0.04 0.00 0.00 177.00 178.13 3bp7 s LYS 6 N -1.76 4.20 -0.04 4.56 1.02 0.16 -4.92 119.74 122.96 3bp7 s LYS 6 Ca 0.51 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.94 3bp7 s LYS 6 Cb -0.42 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3bp7 s LYS 6 CO 0.55 -0.10 -0.00 0.42 -0.92 0.00 0.00 175.35 175.30 3bp7 s ILE 7 N -1.72 0.26 -0.04 2.17 1.01 -1.26 -1.92 121.20 119.70 3bp7 s ILE 7 Ca 0.58 0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.34 3bp7 s ILE 7 Cb -0.20 -0.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.90 3bp7 s ILE 7 CO 0.25 0.18 -0.16 -1.10 0.00 0.00 0.00 174.94 174.11 3bp7 s GLN 8 N 1.23 1.75 -0.10 2.79 -0.21 -0.70 -5.01 119.66 119.41 3bp7 s GLN 8 Ca -0.07 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 54.76 3bp7 s GLN 8 Cb -0.13 -1.52 0.01 0.00 1.00 0.00 0.00 33.01 32.37 3bp7 s GLN 8 CO -0.02 0.22 -0.21 0.54 -2.12 0.00 0.00 175.29 173.70 3bp7 s VAL 9 N 0.09 1.85 0.11 1.09 0.11 -1.26 -0.96 120.40 121.42 3bp7 s VAL 9 Ca -0.05 -0.88 -0.26 0.00 -2.93 0.00 0.00 61.98 57.86 3bp7 s VAL 9 Cb -0.12 -1.62 0.08 0.00 -1.53 0.00 0.00 36.38 33.19 3bp7 s VAL 9 CO 0.02 0.51 0.99 -0.72 -3.33 0.00 0.00 175.10 172.58 3bp7 s TYR 10 N 0.55 -0.15 0.15 1.54 1.13 -0.41 -4.57 117.35 115.60 3bp7 s TYR 10 Ca -0.15 -0.11 0.05 0.00 -1.41 0.00 0.00 57.07 55.45 3bp7 s TYR 10 Cb -0.17 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3bp7 s TYR 10 CO 0.05 -0.72 0.13 -1.54 -2.51 0.00 0.00 175.55 170.96 3bp7 s SER 11 N -2.88 5.55 0.20 -0.18 1.04 -1.26 -0.03 113.70 116.14 3bp7 s SER 11 Ca 0.11 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 3bp7 s SER 11 Cb -0.01 -1.46 0.13 0.00 0.10 0.00 0.00 66.02 64.78 3bp7 s SER 11 CO -0.00 0.09 1.80 -0.09 0.98 0.00 0.00 173.24 176.02 3bp7 h ARG 12 N 2.57 1.00 -6.50 4.02 2.43 -1.58 -3.45 114.38 112.87 3bp7 h ARG 12 Ca -0.47 -0.13 -0.64 0.00 -0.81 0.00 0.00 59.98 57.92 3bp7 h ARG 12 Cb 1.19 -0.19 -0.17 0.00 -0.42 0.00 0.00 29.97 30.38 3bp7 h ARG 12 CO 0.64 0.77 -0.81 -1.01 -1.51 0.00 0.00 179.97 178.05 3bp7 s HIS 13 N -5.79 2.29 0.29 2.20 3.76 -1.26 -5.04 115.29 111.74 3bp7 s HIS 13 Ca -0.13 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.14 3bp7 s HIS 13 Cb 0.14 -1.10 -0.13 0.00 1.11 0.00 0.00 32.58 32.60 3bp7 s HIS 13 CO 0.80 0.56 1.26 -2.30 -0.85 0.00 0.00 174.74 174.20 3bp7 n PRO 14 N 0.03 1.88 -2.40 8.40 -0.02 -1.26 -4.85 135.00 136.77 3bp7 n PRO 14 Ca -0.11 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 3bp7 n PRO 14 Cb 0.57 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 3bp7 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bp7 s ALA 15 N -0.71 3.41 -0.16 3.55 0.00 -1.26 -5.01 121.76 121.58 3bp7 s ALA 15 Ca 0.61 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 3bp7 s ALA 15 Cb -0.64 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.09 3bp7 s ALA 15 CO 0.57 -0.42 -0.02 -2.00 0.00 0.00 0.00 175.76 173.88 3bp7 s GLU 16 N 0.76 1.15 0.18 0.00 2.12 -1.26 -5.10 118.70 116.55 3bp7 s GLU 16 Ca 0.58 -0.43 -0.33 0.00 0.36 0.00 0.00 54.97 55.14 3bp7 s GLU 16 Cb -0.31 -1.92 -0.14 0.00 0.26 0.00 0.00 34.13 32.03 3bp7 s GLU 16 CO 0.31 -0.47 1.48 0.09 -0.54 0.00 0.00 175.26 176.12 3bp7 n ASN 17 N 4.94 2.77 0.00 -1.70 3.02 -1.26 -1.28 115.26 121.75 3bp7 n ASN 17 Ca -0.11 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 3bp7 n ASN 17 Cb 0.48 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 3bp7 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bp7 n GLY 18 N 2.80 1.13 3.50 7.41 0.00 0.35 -4.98 105.19 115.40 3bp7 n GLY 18 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3bp7 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bp7 s LYS 19 N -0.31 3.47 0.44 1.61 2.20 -0.41 -4.97 119.74 121.78 3bp7 s LYS 19 Ca 0.00 -0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 54.82 3bp7 s LYS 19 Cb 0.00 -2.81 -0.09 0.00 -1.51 0.00 0.00 37.83 33.41 3bp7 s LYS 19 CO 0.00 0.32 1.20 0.45 -0.36 0.00 0.00 175.35 176.95 3bp7 n SER 20 N 3.28 2.14 -0.77 1.43 2.88 -1.26 -4.07 113.62 117.24 3bp7 n SER 20 Ca -0.18 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 3bp7 n SER 20 Cb 0.53 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3bp7 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3bp7 n ASN 21 N 0.10 0.00 -4.01 -3.46 2.85 0.78 -4.98 115.26 106.54 3bp7 n ASN 21 Ca 0.08 -0.77 -0.23 0.00 -0.11 0.00 0.00 54.58 53.55 3bp7 n ASN 21 Cb 0.40 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.26 3bp7 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3bp7 s PHE 22 N -6.37 1.25 -0.21 1.20 0.40 -1.26 -1.80 117.98 111.17 3bp7 s PHE 22 Ca 0.00 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 3bp7 s PHE 22 Cb 0.00 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 3bp7 s PHE 22 CO 0.00 -0.21 0.28 -1.17 0.70 0.00 0.00 175.22 174.82 3bp7 s LEU 23 N 0.52 4.15 -0.02 -0.37 2.96 0.34 -1.29 118.68 124.97 3bp7 s LEU 23 Ca -0.10 0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 3bp7 s LEU 23 Cb -0.13 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 3bp7 s LEU 23 CO 0.02 0.01 -0.21 0.20 -1.32 0.00 0.00 176.35 175.05 3bp7 s ASN 24 N 0.98 3.53 -0.21 3.68 0.01 0.96 -1.58 114.94 122.31 3bp7 s ASN 24 Ca 0.14 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.93 3bp7 s ASN 24 Cb -0.14 -0.57 0.05 0.00 0.41 0.00 0.00 41.25 41.00 3bp7 s ASN 24 CO 0.06 0.32 -0.09 0.00 -1.51 0.00 0.00 177.10 175.88 3bp7 s TYR 26 N 1.38 3.14 -0.11 0.00 5.04 -0.14 -1.12 117.35 125.54 3bp7 s TYR 26 Ca -0.03 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.23 3bp7 s TYR 26 Cb -0.17 -2.30 -0.01 0.00 0.35 0.00 0.00 41.96 39.83 3bp7 s TYR 26 CO -0.07 -0.35 -0.15 0.14 -1.34 0.00 0.00 175.55 173.78 3bp7 s VAL 27 N 1.64 2.92 0.20 3.14 -7.23 -0.47 -1.72 120.40 118.86 3bp7 s VAL 27 Ca 0.06 -0.72 -0.10 0.00 -1.81 0.00 0.00 61.98 59.41 3bp7 s VAL 27 Cb -0.16 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 3bp7 s VAL 27 CO 0.06 0.54 0.35 -0.94 -0.31 0.00 0.00 175.10 174.80 3bp7 s SER 28 N 0.19 -0.02 -0.93 4.85 1.04 -0.81 -1.23 113.70 116.80 3bp7 s SER 28 Ca -0.09 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3bp7 s SER 28 Cb -0.15 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3bp7 s SER 28 CO 0.05 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3bp7 n GLY 29 N -0.28 0.89 3.68 7.32 0.00 -0.57 -0.66 105.19 115.57 3bp7 n GLY 29 Ca -0.05 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 3bp7 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bp7 s PHE 30 N -2.36 2.85 -0.28 1.61 -0.71 -1.18 -4.41 117.98 113.51 3bp7 s PHE 30 Ca 0.00 -0.15 -0.19 0.00 -1.04 0.00 0.00 56.93 55.55 3bp7 s PHE 30 Cb 0.00 -1.35 0.08 0.00 -1.21 0.00 0.00 43.02 40.54 3bp7 s PHE 30 CO 0.00 0.54 0.70 -1.58 -1.34 0.00 0.00 175.22 173.54 3bp7 s HIS 31 N -1.88 -0.97 1.16 3.49 2.46 -0.82 -1.31 115.29 117.42 3bp7 s HIS 31 Ca 0.29 2.05 -0.19 0.00 0.47 0.00 0.00 55.06 57.68 3bp7 s HIS 31 Cb -0.09 0.51 0.28 0.00 -0.13 0.00 0.00 32.58 33.15 3bp7 s HIS 31 CO 0.20 -0.47 1.20 -1.25 -2.47 0.00 0.00 174.74 171.94 3bp7 s PRO 32 N 1.19 -0.92 0.29 2.88 0.04 -1.26 -0.58 135.00 136.64 3bp7 s PRO 32 Ca -0.06 -0.31 0.25 0.00 0.04 0.00 0.00 61.00 60.91 3bp7 s PRO 32 Cb -0.05 -1.65 0.67 0.00 0.04 0.00 0.00 34.50 33.51 3bp7 s PRO 32 CO -0.13 -3.47 1.73 0.66 0.04 0.00 0.00 177.00 175.83 3bp7 h SER 33 N -2.40 0.00 -2.48 6.66 4.64 -1.99 -3.44 113.55 114.53 3bp7 h SER 33 Ca -0.43 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.36 3bp7 h SER 33 Cb 1.26 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.36 3bp7 h SER 33 CO 0.30 0.00 1.16 -1.81 -0.87 0.00 0.00 176.83 175.61 3bp7 s ASP 34 N -5.06 6.51 0.01 4.97 1.11 -1.26 -4.97 116.67 117.97 3bp7 s ASP 34 Ca 0.09 2.56 -0.26 0.00 0.18 0.00 0.00 52.55 55.13 3bp7 s ASP 34 Cb 0.10 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.61 3bp7 s ASP 34 CO 0.61 -1.00 0.59 -0.51 1.18 0.00 0.00 175.17 176.05 3bp7 s ILE 35 N 3.96 0.01 -0.09 0.77 2.07 -1.26 -4.61 121.20 122.05 3bp7 s ILE 35 Ca 0.83 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.98 3bp7 s ILE 35 Cb -0.41 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.24 3bp7 s ILE 35 CO 0.37 -0.06 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.49 3bp7 s GLU 36 N -1.87 2.07 -0.06 3.50 2.12 -0.51 -5.00 118.70 118.95 3bp7 s GLU 36 Ca -0.08 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.74 3bp7 s GLU 36 Cb -0.01 -1.71 0.02 0.00 0.26 0.00 0.00 34.13 32.69 3bp7 s GLU 36 CO 0.03 0.01 -0.10 0.08 -0.54 0.00 0.00 175.26 174.75 3bp7 s VAL 37 N 0.75 0.94 0.06 3.70 1.01 -1.26 -0.83 120.40 124.77 3bp7 s VAL 37 Ca -0.12 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.58 3bp7 s VAL 37 Cb -0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3bp7 s VAL 37 CO 0.03 0.31 -0.24 -1.81 0.00 0.00 0.00 175.10 173.39 3bp7 s ASP 38 N 0.76 2.90 -0.13 3.32 1.01 -0.29 -4.97 116.67 119.26 3bp7 s ASP 38 Ca -0.13 -0.59 -0.06 0.00 0.71 0.00 0.00 52.55 52.48 3bp7 s ASP 38 Cb -0.15 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.50 3bp7 s ASP 38 CO 0.02 0.20 0.07 -0.76 0.21 0.00 0.00 175.17 174.92 3bp7 s LEU 39 N -1.36 3.96 -0.01 1.23 1.43 -1.26 -0.50 118.68 122.16 3bp7 s LEU 39 Ca 0.10 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 3bp7 s LEU 39 Cb -0.10 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3bp7 s LEU 39 CO 0.03 0.32 -0.17 -0.76 0.23 0.00 0.00 176.35 175.99 3bp7 s LEU 40 N -0.49 2.58 -0.19 1.79 1.43 0.53 -1.04 118.68 123.28 3bp7 s LEU 40 Ca 0.10 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3bp7 s LEU 40 Cb -0.12 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.62 3bp7 s LEU 40 CO 0.02 0.31 -0.18 -0.75 0.23 0.00 0.00 176.35 175.98 3bp7 s LYS 41 N -0.94 2.84 -1.66 1.70 2.20 0.39 -1.81 119.74 122.45 3bp7 s LYS 41 Ca 0.12 -0.92 -0.16 0.00 -0.36 0.00 0.00 55.97 54.65 3bp7 s LYS 41 Cb -0.10 -2.62 0.14 0.00 -1.51 0.00 0.00 37.83 33.74 3bp7 s LYS 41 CO 0.02 -0.27 0.78 0.09 -0.36 0.00 0.00 175.35 175.60 3bp7 n ASN 42 N 4.59 -3.20 0.00 1.43 3.02 0.91 -1.71 115.26 120.30 3bp7 n ASN 42 Ca -0.20 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3bp7 n ASN 42 Cb 0.49 -2.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 3bp7 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bp7 n GLY 43 N -1.49 1.34 3.66 7.41 0.00 -1.26 -5.03 105.19 109.82 3bp7 n GLY 43 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3bp7 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bp7 s GLU 44 N -0.51 2.52 0.04 1.61 0.41 -0.69 -5.01 118.70 117.06 3bp7 s GLU 44 Ca 0.00 -0.82 -0.31 0.00 -0.41 0.00 0.00 54.97 53.43 3bp7 s GLU 44 Cb 0.00 -2.52 -0.06 0.00 -1.78 0.00 0.00 34.13 29.77 3bp7 s GLU 44 CO 0.00 0.55 1.31 0.50 -0.49 0.00 0.00 175.26 177.14 3bp7 s ARG 45 N -2.10 4.35 0.15 1.61 3.52 -1.26 -0.46 118.95 124.75 3bp7 s ARG 45 Ca 0.23 1.90 -0.30 0.00 -0.13 0.00 0.00 55.73 57.43 3bp7 s ARG 45 Cb -0.12 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.79 3bp7 s ARG 45 CO 0.15 -0.43 1.15 0.42 -0.81 0.00 0.00 175.30 175.79 3bp7 s ILE 46 N 1.63 3.82 0.38 4.11 1.01 -0.21 -4.87 121.20 127.07 3bp7 s ILE 46 Ca 0.62 1.49 -0.13 0.00 0.00 0.00 0.00 60.65 62.63 3bp7 s ILE 46 Cb -0.31 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 3bp7 s ILE 46 CO 0.28 0.22 0.77 -1.61 0.00 0.00 0.00 174.94 174.59 3bp7 s GLU 47 N -0.00 3.89 -1.20 2.79 2.02 -1.26 -4.37 118.70 120.56 3bp7 s GLU 47 Ca 0.52 0.59 0.00 0.00 0.02 0.00 0.00 54.97 56.10 3bp7 s GLU 47 Cb -0.30 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.54 3bp7 s GLU 47 CO 0.34 0.03 0.00 1.63 0.02 0.00 0.00 175.26 177.28 3bp7 n LYS 48 N -0.91 -0.97 -2.10 1.61 5.02 -1.26 -4.96 118.16 114.59 3bp7 n LYS 48 Ca 0.03 0.75 -0.41 0.00 -2.02 0.00 0.00 58.31 56.67 3bp7 n LYS 48 Cb 0.54 -4.89 -0.02 0.00 -0.02 0.00 0.00 35.03 30.63 3bp7 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bp7 s VAL 49 N -2.57 2.72 0.27 -0.18 1.01 -1.26 -5.01 120.40 115.38 3bp7 s VAL 49 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.74 3bp7 s VAL 49 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3bp7 s VAL 49 CO 0.00 0.16 0.38 -1.61 0.00 0.00 0.00 175.10 174.03 3bp7 s GLU 50 N -1.56 3.29 0.04 2.72 2.02 -0.78 -4.92 118.70 119.50 3bp7 s GLU 50 Ca 0.50 -0.87 -0.13 0.00 0.02 0.00 0.00 54.97 54.50 3bp7 s GLU 50 Cb -0.40 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.01 3bp7 s GLU 50 CO 0.51 0.30 0.27 -3.38 0.02 0.00 0.00 175.26 172.99 3bp7 s HIS 51 N -2.06 -0.07 0.85 1.61 -3.43 -1.26 -1.03 115.29 109.90 3bp7 s HIS 51 Ca 0.38 -0.07 -0.11 0.00 -0.80 0.00 0.00 55.06 54.45 3bp7 s HIS 51 Cb -0.09 0.06 0.10 0.00 -1.43 0.00 0.00 32.58 31.22 3bp7 s HIS 51 CO 0.29 -0.47 1.09 -1.54 -2.00 0.00 0.00 174.74 172.11 3bp7 s SER 52 N -2.00 3.84 0.32 7.38 1.04 0.16 -5.00 113.70 119.44 3bp7 s SER 52 Ca -0.06 1.62 -0.27 0.00 0.48 0.00 0.00 55.95 57.73 3bp7 s SER 52 Cb -0.01 -2.30 -0.09 0.00 0.10 0.00 0.00 66.02 63.71 3bp7 s SER 52 CO -0.03 -2.43 1.00 -1.81 0.98 0.00 0.00 173.24 170.95 3bp7 s ASP 53 N -3.40 7.23 0.07 7.02 1.01 -1.26 -4.76 116.67 122.59 3bp7 s ASP 53 Ca 0.63 1.98 -0.34 0.00 0.71 0.00 0.00 52.55 55.52 3bp7 s ASP 53 Cb -0.18 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.03 3bp7 s ASP 53 CO 0.57 -0.15 1.67 -0.11 0.21 0.00 0.00 175.17 177.36 3bp7 n LEU 54 N 0.65 3.16 -4.17 1.23 7.94 -1.26 -4.93 117.00 119.60 3bp7 n LEU 54 Ca 0.02 1.05 -0.17 0.00 -1.11 0.00 0.00 56.01 55.80 3bp7 n LEU 54 Cb 0.49 -1.40 -0.06 0.00 0.53 0.00 0.00 43.42 42.98 3bp7 n LEU 54 CO 0.47 -0.24 0.03 -0.55 -1.11 0.00 0.00 177.39 175.99 3bp7 s SER 55 N 1.96 1.25 0.16 1.96 0.15 -1.23 -5.06 113.70 112.89 3bp7 s SER 55 Ca 0.84 -1.61 -0.16 0.00 0.70 0.00 0.00 55.95 55.72 3bp7 s SER 55 Cb -0.70 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 3bp7 s SER 55 CO 0.43 -1.19 0.44 0.72 1.20 0.00 0.00 173.24 174.84 3bp7 s PHE 56 N -3.22 -0.08 0.73 3.44 -0.12 -1.26 -1.80 117.98 115.66 3bp7 s PHE 56 Ca 0.35 -0.25 0.01 0.00 -0.05 0.00 0.00 56.93 56.99 3bp7 s PHE 56 Cb 0.01 0.28 0.14 0.00 -0.63 0.00 0.00 43.02 42.81 3bp7 s PHE 56 CO 0.24 -0.80 1.00 -1.12 -0.05 0.00 0.00 175.22 174.48 3bp7 s SER 57 N -2.86 4.31 0.46 1.98 0.01 0.84 -4.92 113.70 113.52 3bp7 s SER 57 Ca 0.08 -0.51 0.14 0.00 1.31 0.00 0.00 55.95 56.96 3bp7 s SER 57 Cb 0.01 0.19 1.09 0.00 0.21 0.00 0.00 66.02 67.52 3bp7 s SER 57 CO -0.06 -1.90 2.05 0.50 0.41 0.00 0.00 173.24 174.24 3bp7 h LYS 58 N -0.51 0.28 -0.59 12.44 3.64 -2.03 -0.68 116.57 129.12 3bp7 h LYS 58 Ca -0.34 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3bp7 h LYS 58 Cb 1.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3bp7 h LYS 58 CO 0.38 0.19 0.00 -0.40 -2.27 0.00 0.00 179.45 177.35 3bp7 n ASP 59 N -4.48 2.65 0.00 4.20 5.68 -1.26 -4.90 116.55 118.44 3bp7 n ASP 59 Ca 0.04 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 3bp7 n ASP 59 Cb 0.24 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 3bp7 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3bp7 n TRP 60 N 0.42 0.00 -2.13 2.11 7.02 -0.26 -5.01 117.44 119.59 3bp7 n TRP 60 Ca 0.13 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.27 3bp7 n TRP 60 Cb 0.52 -0.05 0.01 0.00 -2.42 0.00 0.00 31.31 29.37 3bp7 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3bp7 s SER 61 N -3.49 5.61 0.34 -0.99 1.04 -1.26 -4.55 113.70 110.39 3bp7 s SER 61 Ca 0.00 2.07 -0.06 0.00 0.48 0.00 0.00 55.95 58.45 3bp7 s SER 61 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 3bp7 s SER 61 CO 0.00 -1.29 0.62 -0.36 0.98 0.00 0.00 173.24 173.19 3bp7 s PHE 62 N -2.01 3.49 0.03 5.02 0.08 -0.43 -0.11 117.98 124.05 3bp7 s PHE 62 Ca 0.70 0.72 -0.04 0.00 0.12 0.00 0.00 56.93 58.42 3bp7 s PHE 62 Cb -0.21 -2.18 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 3bp7 s PHE 62 CO 0.31 0.07 0.07 1.52 -0.10 0.00 0.00 175.22 177.09 3bp7 s TYR 63 N -2.23 0.21 -0.08 0.36 -0.85 -0.75 -1.51 117.35 112.50 3bp7 s TYR 63 Ca 0.45 -0.48 -0.15 0.00 -0.52 0.00 0.00 57.07 56.37 3bp7 s TYR 63 Cb -0.10 -0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.12 3bp7 s TYR 63 CO 0.32 -0.32 0.38 -0.51 -1.52 0.00 0.00 175.55 173.90 3bp7 s LEU 64 N -1.93 0.56 -0.16 -3.49 1.43 -0.36 -3.53 118.68 111.20 3bp7 s LEU 64 Ca -0.08 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3bp7 s LEU 64 Cb -0.03 1.40 -0.01 0.00 0.03 0.00 0.00 46.19 47.58 3bp7 s LEU 64 CO -0.03 -0.31 -0.11 -0.22 0.23 0.00 0.00 176.35 175.91 3bp7 s LEU 65 N -0.57 2.74 -0.07 1.79 2.96 -1.26 -1.37 118.68 122.90 3bp7 s LEU 65 Ca -0.07 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3bp7 s LEU 65 Cb -0.04 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3bp7 s LEU 65 CO 0.03 0.10 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.83 3bp7 s TYR 66 N 0.73 3.08 0.04 5.38 1.51 -0.27 -0.66 117.35 127.15 3bp7 s TYR 66 Ca -0.05 0.13 -0.23 0.00 -1.01 0.00 0.00 57.07 55.91 3bp7 s TYR 66 Cb -0.15 -1.75 0.05 0.00 -0.11 0.00 0.00 41.96 40.00 3bp7 s TYR 66 CO 0.02 0.43 0.54 1.52 -1.11 0.00 0.00 175.55 176.94 3bp7 s TYR 67 N -0.89 -0.45 0.02 2.71 1.13 -0.20 -0.74 117.35 118.94 3bp7 s TYR 67 Ca 0.14 0.54 -0.19 0.00 -1.41 0.00 0.00 57.07 56.14 3bp7 s TYR 67 Cb -0.11 0.35 0.04 0.00 -1.10 0.00 0.00 41.96 41.14 3bp7 s TYR 67 CO 0.03 -0.64 0.43 -0.08 -2.51 0.00 0.00 175.55 172.78 3bp7 s THR 68 N -2.32 0.05 0.29 -3.49 -1.32 -0.61 -1.87 115.64 106.37 3bp7 s THR 68 Ca -0.06 -0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 59.73 3bp7 s THR 68 Cb -0.01 -0.90 -0.10 0.00 -1.51 0.00 0.00 72.50 69.99 3bp7 s THR 68 CO -0.01 -0.22 1.25 -0.70 -2.21 0.00 0.00 174.62 172.73 3bp7 s GLU 69 N -2.14 4.44 0.12 7.08 2.12 -1.26 -0.50 118.70 128.56 3bp7 s GLU 69 Ca -0.07 2.08 -0.13 0.00 0.36 0.00 0.00 54.97 57.20 3bp7 s GLU 69 Cb -0.02 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 31.27 3bp7 s GLU 69 CO 0.00 -0.09 0.32 -0.59 -0.54 0.00 0.00 175.26 174.36 3bp7 s PHE 70 N -0.92 -0.01 -0.31 5.30 -0.71 -0.75 -4.81 117.98 115.77 3bp7 s PHE 70 Ca 0.49 -0.35 0.02 0.00 -1.04 0.00 0.00 56.93 56.05 3bp7 s PHE 70 Cb -0.37 0.12 0.09 0.00 -1.21 0.00 0.00 43.02 41.65 3bp7 s PHE 70 CO 0.47 -0.66 0.03 0.99 -1.34 0.00 0.00 175.22 174.71 3bp7 s THR 71 N -3.84 1.74 0.69 -4.49 2.01 -1.26 -0.16 115.64 110.32 3bp7 s THR 71 Ca 0.05 -1.82 -0.16 0.00 0.31 0.00 0.00 61.69 60.08 3bp7 s THR 71 Cb 0.03 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3bp7 s THR 71 CO -0.10 -0.49 1.18 -2.16 -0.69 0.00 0.00 174.62 172.36 3bp7 s PRO 72 N 1.21 2.47 0.24 4.92 0.04 -1.26 -4.77 135.00 137.85 3bp7 s PRO 72 Ca 0.06 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3bp7 s PRO 72 Cb -0.19 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3bp7 s PRO 72 CO -0.12 -1.56 0.19 0.95 0.04 0.00 0.00 177.00 176.50 3bp7 s THR 73 N -2.01 0.00 0.20 1.26 -4.23 -1.26 -0.50 115.64 109.10 3bp7 s THR 73 Ca 0.73 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3bp7 s THR 73 Cb -0.27 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.19 3bp7 s THR 73 CO 0.42 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.25 3bp7 h GLU 74 N 2.45 0.72 0.00 3.99 4.81 -1.97 -3.35 114.58 121.24 3bp7 h GLU 74 Ca -0.32 -0.04 -0.35 0.00 -0.13 0.00 0.00 59.36 58.51 3bp7 h GLU 74 Cb 1.24 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 3bp7 h GLU 74 CO 0.47 0.48 -2.23 0.36 -0.73 0.00 0.00 179.01 177.35 3bp7 n LYS 75 N -4.73 0.68 -2.04 1.92 2.85 -1.26 -4.94 118.16 110.63 3bp7 n LYS 75 Ca 0.06 0.08 -0.42 0.00 -1.05 0.00 0.00 58.31 56.98 3bp7 n LYS 75 Cb 0.09 -1.59 -0.03 0.00 -0.65 0.00 0.00 35.03 32.86 3bp7 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3bp7 s ASP 76 N -5.73 6.69 -0.16 -5.58 1.01 -1.26 -5.00 116.67 106.66 3bp7 s ASP 76 Ca -0.11 2.56 -0.06 0.00 0.71 0.00 0.00 52.55 55.65 3bp7 s ASP 76 Cb 0.07 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3bp7 s ASP 76 CO 0.81 -0.71 0.04 -1.61 0.21 0.00 0.00 175.17 173.92 3bp7 s GLU 77 N 0.39 3.71 0.13 8.23 2.02 -1.26 -4.71 118.70 127.21 3bp7 s GLU 77 Ca 0.63 -0.37 0.10 0.00 0.02 0.00 0.00 54.97 55.36 3bp7 s GLU 77 Cb -0.41 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 3bp7 s GLU 77 CO 0.37 0.39 -0.23 0.71 0.02 0.00 0.00 175.26 176.51 3bp7 s TYR 78 N 0.03 2.39 0.22 1.61 2.02 -1.26 -0.06 117.35 122.30 3bp7 s TYR 78 Ca 0.05 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 3bp7 s TYR 78 Cb -0.12 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 3bp7 s TYR 78 CO 0.01 0.38 0.52 0.00 -1.57 0.00 0.00 175.55 174.88 3bp7 s ALA 79 N -1.17 -0.68 -0.08 3.71 0.00 -0.75 -0.74 121.76 122.06 3bp7 s ALA 79 Ca 0.16 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.66 3bp7 s ALA 79 Cb -0.10 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 3bp7 s ALA 79 CO 0.08 -0.84 -0.20 0.00 0.00 0.00 0.00 175.76 174.80 3bp7 s ARG 81 N -0.13 3.15 -0.12 0.00 3.52 0.34 -1.11 118.95 124.60 3bp7 s ARG 81 Ca -0.03 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 3bp7 s ARG 81 Cb -0.14 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.54 3bp7 s ARG 81 CO 0.04 -0.14 -0.16 0.08 -0.81 0.00 0.00 175.30 174.30 3bp7 s VAL 82 N 1.21 2.78 0.05 7.11 1.01 0.36 -1.14 120.40 131.77 3bp7 s VAL 82 Ca 0.02 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3bp7 s VAL 82 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3bp7 s VAL 82 CO -0.07 0.54 -0.23 0.21 0.00 0.00 0.00 175.10 175.55 3bp7 s ASN 83 N 0.31 3.46 -0.01 3.32 2.47 -0.01 -0.85 114.94 123.63 3bp7 s ASN 83 Ca -0.12 -0.53 -0.29 0.00 0.42 0.00 0.00 52.86 52.33 3bp7 s ASN 83 Cb -0.16 -0.43 0.07 0.00 -1.45 0.00 0.00 41.25 39.28 3bp7 s ASN 83 CO 0.06 0.25 0.69 -2.28 -3.72 0.00 0.00 177.10 172.10 3bp7 s HIS 84 N -0.88 -0.61 0.57 0.43 5.65 -1.26 -1.43 115.29 117.76 3bp7 s HIS 84 Ca 0.13 0.92 0.26 0.00 0.25 0.00 0.00 55.06 56.63 3bp7 s HIS 84 Cb -0.10 0.44 1.54 0.00 -1.18 0.00 0.00 32.58 33.29 3bp7 s HIS 84 CO 0.04 -0.64 2.07 -0.24 -0.65 0.00 0.00 174.74 175.32 3bp7 h VAL 85 N 2.75 0.59 0.00 0.89 3.04 -1.95 0.04 116.25 121.61 3bp7 h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 3bp7 h VAL 85 Cb 1.18 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3bp7 h VAL 85 CO 0.38 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.29 3bp7 n THR 86 N -4.02 0.13 -4.69 3.17 -2.24 -1.26 -4.78 114.28 100.58 3bp7 n THR 86 Ca 0.03 0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 3bp7 n THR 86 Cb 0.38 -0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 67.83 3bp7 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bp7 s LEU 87 N -2.28 2.89 0.32 3.22 1.43 -0.00 -4.99 118.68 119.27 3bp7 s LEU 87 Ca 0.30 -0.23 0.17 0.00 -1.03 0.00 0.00 54.13 53.33 3bp7 s LEU 87 Cb 0.16 -1.65 0.36 0.00 0.03 0.00 0.00 46.19 45.09 3bp7 s LEU 87 CO 0.32 0.21 1.58 0.77 0.23 0.00 0.00 176.35 179.46 3bp7 h SER 88 N 6.37 0.00 -5.16 2.29 4.64 -1.86 -3.45 113.55 116.39 3bp7 h SER 88 Ca -0.32 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.88 3bp7 h SER 88 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 3bp7 h SER 88 CO 0.56 0.45 -0.58 0.00 -0.87 0.00 0.00 176.83 176.39 3bp7 s GLN 89 N -3.25 0.62 0.34 4.77 -2.07 -1.26 -5.13 119.66 113.69 3bp7 s GLN 89 Ca 0.02 -0.99 -0.28 0.00 -1.82 0.00 0.00 55.36 52.29 3bp7 s GLN 89 Cb 0.09 0.23 -0.12 0.00 -1.09 0.00 0.00 33.01 32.12 3bp7 s GLN 89 CO 0.72 -0.15 1.38 -2.30 -1.32 0.00 0.00 175.29 173.62 3bp7 n PRO 90 N 0.39 2.34 -3.33 9.60 -0.02 -1.26 -4.95 135.00 137.77 3bp7 n PRO 90 Ca -0.16 0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 3bp7 n PRO 90 Cb 0.60 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 3bp7 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3bp7 s LYS 91 N -1.76 4.12 -0.20 -0.52 2.47 -0.03 -4.91 119.74 118.91 3bp7 s LYS 91 Ca 0.56 0.23 -0.06 0.00 -1.56 0.00 0.00 55.97 55.14 3bp7 s LYS 91 Cb -0.54 -3.59 -0.03 0.00 -1.46 0.00 0.00 37.83 32.21 3bp7 s LYS 91 CO 0.61 -0.18 0.02 0.42 0.16 0.00 0.00 175.35 176.38 3bp7 s ILE 92 N 1.74 4.13 -0.19 5.43 1.01 -1.26 -0.49 121.20 131.57 3bp7 s ILE 92 Ca 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 3bp7 s ILE 92 Cb -0.15 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.46 3bp7 s ILE 92 CO 0.09 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.61 3bp7 s VAL 93 N 0.94 2.47 0.34 2.92 1.01 -0.27 -4.98 120.40 122.82 3bp7 s VAL 93 Ca 0.02 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 3bp7 s VAL 93 Cb -0.14 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 3bp7 s VAL 93 CO 0.02 0.51 0.95 -0.54 0.00 0.00 0.00 175.10 176.04 3bp7 s LYS 94 N 1.31 4.53 0.04 2.72 1.02 -1.26 -1.16 119.74 126.94 3bp7 s LYS 94 Ca 0.04 1.32 -0.30 0.00 0.02 0.00 0.00 55.97 57.04 3bp7 s LYS 94 Cb -0.14 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.39 3bp7 s LYS 94 CO -0.09 0.23 1.28 -0.46 -0.92 0.00 0.00 175.35 175.39 3bp7 s TRP 95 N -1.68 3.22 -0.17 3.18 -0.00 0.08 -4.89 118.94 118.69 3bp7 s TRP 95 Ca 0.52 1.11 -0.00 0.00 -0.00 0.00 0.00 56.10 57.72 3bp7 s TRP 95 Cb -0.18 -3.53 0.04 0.00 -0.00 0.00 0.00 33.47 29.81 3bp7 s TRP 95 CO 0.23 -1.77 -0.06 0.34 -0.00 0.00 0.00 176.95 175.69 3bp7 s ASP 96 N 1.34 2.86 0.02 5.86 -1.08 -1.26 -4.74 116.67 119.67 3bp7 s ASP 96 Ca 0.61 -0.67 0.07 0.00 -0.52 0.00 0.00 52.55 52.04 3bp7 s ASP 96 Cb -0.30 -0.95 0.32 0.00 -1.46 0.00 0.00 42.92 40.52 3bp7 s ASP 96 CO 0.27 -0.17 1.23 -2.11 0.52 0.00 0.00 175.17 174.91 3bp7 n ARG 97 N 4.85 0.01 -0.10 4.34 1.85 -1.26 -1.07 116.66 125.29 3bp7 n ARG 97 Ca -0.12 0.41 0.09 0.00 -1.00 0.00 0.00 57.85 57.23 3bp7 n ARG 97 Cb 0.48 -1.53 0.33 0.00 -1.05 0.00 0.00 32.46 30.69 3bp7 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3bp7 n ASP 98 N -1.56 1.64 0.00 2.89 8.00 -1.26 -4.82 116.55 121.44 3bp7 n ASP 98 Ca 0.01 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3bp7 n ASP 98 Cb 0.07 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3bp7 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04