#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vb5 s ILE 1 N 0.00 -0.43 -1.10 1.12 1.10 -1.26 -5.07 121.20 115.56 2vb5 s ILE 1 Ca 0.00 -0.18 -0.03 0.00 -0.51 0.00 0.00 60.65 59.94 2vb5 s ILE 1 Cb 0.00 -0.78 0.27 0.00 0.15 0.00 0.00 42.46 42.10 2vb5 s ILE 1 CO 0.00 -0.23 1.88 0.00 -2.11 0.00 0.00 174.94 174.48 2vb5 n GLN 2 N 5.33 5.06 -2.26 3.50 6.02 -1.26 -4.61 117.38 129.16 2vb5 n GLN 2 Ca -0.04 -4.38 -0.41 0.00 -0.01 0.00 0.00 57.00 52.17 2vb5 n GLN 2 Cb 0.49 -2.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.19 2vb5 n GLN 2 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2vb5 s ARG 3 N -3.29 4.47 0.30 -1.09 3.52 -1.26 -4.90 118.95 116.70 2vb5 s ARG 3 Ca 0.41 2.06 -0.02 0.00 -0.13 0.00 0.00 55.73 58.04 2vb5 s ARG 3 Cb 0.16 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2vb5 s ARG 3 CO -0.08 -0.03 0.53 0.95 -0.81 0.00 0.00 175.30 175.86 2vb5 s THR 4 N -1.14 5.08 -0.04 4.11 -4.23 -1.25 -1.35 115.64 116.81 2vb5 s THR 4 Ca 0.47 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 2vb5 s THR 4 Cb -0.37 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 69.63 2vb5 s THR 4 CO 0.48 -0.39 1.83 -2.16 -0.54 0.00 0.00 174.62 173.84 2vb5 s PRO 5 N -3.80 4.05 -1.19 3.99 0.04 -1.26 -4.12 135.00 132.70 2vb5 s PRO 5 Ca 0.42 2.31 -0.20 0.00 0.04 0.00 0.00 61.00 63.56 2vb5 s PRO 5 Cb -0.10 -4.10 0.05 0.00 0.04 0.00 0.00 34.50 30.39 2vb5 s PRO 5 CO 0.32 -1.03 1.68 0.15 0.04 0.00 0.00 177.00 178.16 2vb5 s LYS 6 N 4.46 3.70 0.16 4.56 -0.14 -0.66 -4.85 119.74 126.95 2vb5 s LYS 6 Ca 0.82 -1.61 -0.33 0.00 -1.36 0.00 0.00 55.97 53.49 2vb5 s LYS 6 Cb -0.36 -5.44 -0.13 0.00 -1.68 0.00 0.00 37.83 30.22 2vb5 s LYS 6 CO 0.35 -2.42 1.69 0.44 -0.76 0.00 0.00 175.35 174.65 2vb5 n ILE 7 N 6.71 0.10 -3.49 2.17 -5.35 -1.26 -3.17 119.36 115.06 2vb5 n ILE 7 Ca 0.44 -0.02 -0.29 0.00 -0.27 0.00 0.00 62.75 62.61 2vb5 n ILE 7 Cb 0.48 -1.81 -0.12 0.00 -1.74 0.00 0.00 39.64 36.45 2vb5 n ILE 7 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2vb5 s GLN 8 N 1.49 0.71 -0.86 6.28 -1.52 -0.67 -5.00 119.66 120.09 2vb5 s GLN 8 Ca 0.79 -1.54 -0.15 0.00 -1.95 0.00 0.00 55.36 52.51 2vb5 s GLN 8 Cb -0.59 -1.47 0.20 0.00 -0.22 0.00 0.00 33.01 30.93 2vb5 s GLN 8 CO 0.37 -1.23 0.86 0.08 -0.25 0.00 0.00 175.29 175.12 2vb5 s VAL 9 N 0.82 5.42 0.17 1.09 1.01 -1.26 -2.04 120.40 125.61 2vb5 s VAL 9 Ca 0.20 -2.29 0.07 0.00 0.00 0.00 0.00 61.98 59.96 2vb5 s VAL 9 Cb -0.19 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2vb5 s VAL 9 CO -0.02 -1.15 0.00 -0.72 0.00 0.00 0.00 175.10 173.22 2vb5 s TYR 10 N 0.71 2.86 -0.10 5.22 1.13 -1.17 -4.14 117.35 121.87 2vb5 s TYR 10 Ca 0.22 -0.13 -0.21 0.00 -1.41 0.00 0.00 57.07 55.53 2vb5 s TYR 10 Cb -0.09 -1.39 -0.04 0.00 -1.10 0.00 0.00 41.96 39.35 2vb5 s TYR 10 CO -0.09 0.52 0.62 -1.54 -2.51 0.00 0.00 175.55 172.55 2vb5 s SER 11 N -2.92 6.86 0.09 -0.18 1.04 -1.26 -0.72 113.70 116.61 2vb5 s SER 11 Ca 0.27 1.03 -0.31 0.00 0.48 0.00 0.00 55.95 57.43 2vb5 s SER 11 Cb -0.09 -2.37 -0.14 0.00 0.10 0.00 0.00 66.02 63.52 2vb5 s SER 11 CO 0.19 -0.10 1.62 -0.09 0.98 0.00 0.00 173.24 175.84 2vb5 h ARG 12 N 6.84 -0.69 -6.43 4.02 9.65 -1.44 -3.43 114.38 122.91 2vb5 h ARG 12 Ca -0.40 0.05 -0.53 0.00 -1.10 0.00 0.00 59.98 58.00 2vb5 h ARG 12 Cb 1.18 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.90 2vb5 h ARG 12 CO 0.76 -0.46 -0.16 -1.01 2.80 0.00 0.00 179.97 181.90 2vb5 s HIS 13 N -6.03 3.46 0.30 2.20 3.76 -1.26 -5.03 115.29 112.69 2vb5 s HIS 13 Ca -0.17 0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 55.12 2vb5 s HIS 13 Cb 0.06 -2.12 -0.10 0.00 1.11 0.00 0.00 32.58 31.53 2vb5 s HIS 13 CO 0.63 0.23 1.31 -1.25 -0.85 0.00 0.00 174.74 174.82 2vb5 s PRO 14 N -3.26 4.37 -0.79 8.40 0.04 -1.26 -4.84 135.00 137.64 2vb5 s PRO 14 Ca 0.44 2.18 -0.25 0.00 0.04 0.00 0.00 61.00 63.41 2vb5 s PRO 14 Cb -0.11 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 2vb5 s PRO 14 CO 0.27 -0.20 2.08 0.00 0.04 0.00 0.00 177.00 179.19 2vb5 s ALA 15 N -0.81 1.50 -0.08 8.56 0.00 -1.26 -4.95 121.76 124.72 2vb5 s ALA 15 Ca 0.51 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 2vb5 s ALA 15 Cb -0.39 -4.50 -0.05 0.00 0.00 0.00 0.00 23.12 18.18 2vb5 s ALA 15 CO 0.49 -4.91 0.52 -1.21 0.00 0.00 0.00 175.76 170.65 2vb5 s GLU 16 N 7.58 4.31 0.14 0.00 0.41 -1.26 -5.04 118.70 124.83 2vb5 s GLU 16 Ca 0.77 0.55 -0.31 0.00 -0.41 0.00 0.00 54.97 55.57 2vb5 s GLU 16 Cb -0.10 -3.40 -0.09 0.00 -1.78 0.00 0.00 34.13 28.76 2vb5 s GLU 16 CO 0.07 0.25 1.54 1.21 -0.49 0.00 0.00 175.26 177.84 2vb5 s ASN 17 N 0.30 6.64 -1.28 -0.19 3.84 -1.26 -3.08 114.94 119.91 2vb5 s ASN 17 Ca 0.28 2.53 -0.04 0.00 0.21 0.00 0.00 52.86 55.84 2vb5 s ASN 17 Cb -0.16 -2.59 0.01 0.00 -0.55 0.00 0.00 41.25 37.96 2vb5 s ASN 17 CO 0.13 -0.80 1.07 0.61 -2.79 0.00 0.00 177.10 175.32 2vb5 n GLY 18 N 3.74 -0.44 3.64 1.21 0.00 -0.15 -5.00 105.19 108.19 2vb5 n GLY 18 Ca 0.14 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 2vb5 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vb5 s LYS 19 N -5.80 0.60 0.62 1.61 2.20 -1.18 -5.04 119.74 112.75 2vb5 s LYS 19 Ca 0.26 0.90 -0.19 0.00 -0.36 0.00 0.00 55.97 56.58 2vb5 s LYS 19 Cb -0.11 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.37 2vb5 s LYS 19 CO 0.73 -0.10 1.28 0.45 -0.36 0.00 0.00 175.35 177.35 2vb5 s SER 20 N 1.04 4.86 -0.05 1.43 0.15 -1.26 -4.29 113.70 115.58 2vb5 s SER 20 Ca -0.05 2.59 -0.06 0.00 0.70 0.00 0.00 55.95 59.12 2vb5 s SER 20 Cb -0.05 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2vb5 s SER 20 CO -0.12 -1.83 0.17 0.20 1.20 0.00 0.00 173.24 172.86 2vb5 s ASN 21 N -1.37 -0.13 -0.25 5.45 -0.87 -0.22 -4.87 114.94 112.67 2vb5 s ASN 21 Ca 0.80 0.22 -0.14 0.00 -1.57 0.00 0.00 52.86 52.17 2vb5 s ASN 21 Cb -0.36 0.32 -0.04 0.00 -0.02 0.00 0.00 41.25 41.15 2vb5 s ASN 21 CO 0.39 -0.14 0.30 -0.36 -2.57 0.00 0.00 177.10 174.73 2vb5 s PHE 22 N -0.27 3.28 0.73 2.20 0.08 -1.26 -1.18 117.98 121.55 2vb5 s PHE 22 Ca -0.04 0.36 -0.11 0.00 0.12 0.00 0.00 56.93 57.26 2vb5 s PHE 22 Cb -0.03 -2.47 0.03 0.00 -0.57 0.00 0.00 43.02 39.99 2vb5 s PHE 22 CO 0.01 -0.11 1.08 -1.17 -0.10 0.00 0.00 175.22 174.92 2vb5 s LEU 23 N 1.66 3.12 -0.43 -0.37 2.96 -1.25 -1.14 118.68 123.24 2vb5 s LEU 23 Ca 0.13 1.78 0.06 0.00 -0.22 0.00 0.00 54.13 55.88 2vb5 s LEU 23 Cb -0.15 -4.52 0.20 0.00 0.50 0.00 0.00 46.19 42.22 2vb5 s LEU 23 CO 0.09 -1.78 0.50 0.59 -1.32 0.00 0.00 176.35 174.43 2vb5 n ASN 24 N -3.21 -0.97 -4.57 3.68 4.13 0.10 -4.07 115.26 110.35 2vb5 n ASN 24 Ca 0.09 -2.63 -0.36 0.00 1.68 0.00 0.00 54.58 53.35 2vb5 n ASN 24 Cb 0.53 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 2vb5 n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vb5 s TYR 26 N 7.01 3.18 -0.96 0.00 6.14 -0.87 -3.12 117.35 128.74 2vb5 s TYR 26 Ca 0.58 -1.25 -0.12 0.00 0.64 0.00 0.00 57.07 56.92 2vb5 s TYR 26 Cb -0.00 -4.00 0.24 0.00 0.42 0.00 0.00 41.96 38.61 2vb5 s TYR 26 CO 0.01 -1.25 0.93 0.14 0.64 0.00 0.00 175.55 176.02 2vb5 s VAL 27 N 2.13 5.76 -0.18 3.14 -7.23 -1.24 -1.67 120.40 121.10 2vb5 s VAL 27 Ca 0.15 -2.86 -0.21 0.00 -1.81 0.00 0.00 61.98 57.26 2vb5 s VAL 27 Cb -0.19 -4.54 -0.03 0.00 0.56 0.00 0.00 36.38 32.18 2vb5 s VAL 27 CO 0.01 -1.11 0.62 -0.94 -0.31 0.00 0.00 175.10 173.36 2vb5 s SER 28 N 1.84 6.71 0.00 4.85 1.04 -1.19 -4.07 113.70 122.88 2vb5 s SER 28 Ca 0.24 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2vb5 s SER 28 Cb -0.10 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2vb5 s SER 28 CO -0.08 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2vb5 n GLY 29 N 3.71 0.56 3.62 7.32 0.00 -1.20 -1.66 105.19 117.54 2vb5 n GLY 29 Ca -0.02 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 2vb5 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vb5 s PHE 30 N -2.77 3.27 -0.13 1.61 -0.12 -1.26 -3.97 117.98 114.62 2vb5 s PHE 30 Ca 0.00 0.38 -0.03 0.00 -0.05 0.00 0.00 56.93 57.23 2vb5 s PHE 30 Cb 0.00 -2.51 -0.03 0.00 -0.63 0.00 0.00 43.02 39.85 2vb5 s PHE 30 CO 0.00 -0.16 -0.03 -1.01 -0.05 0.00 0.00 175.22 173.97 2vb5 s HIS 31 N 1.82 3.05 -0.11 3.49 3.76 -0.46 -3.96 115.29 122.88 2vb5 s HIS 31 Ca 0.14 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.89 2vb5 s HIS 31 Cb -0.15 -1.88 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 2vb5 s HIS 31 CO 0.09 0.15 0.02 -1.00 -0.85 0.00 0.00 174.74 173.15 2vb5 h PRO 32 N 6.11 0.00 0.00 8.40 0.13 -1.87 -3.37 132.00 141.40 2vb5 h PRO 32 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2vb5 h PRO 32 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2vb5 h PRO 32 CO 0.60 0.08 0.00 -1.13 -0.23 0.00 0.00 178.00 177.32 2vb5 n SER 33 N -4.73 0.00 -3.65 1.44 3.41 -1.25 -4.93 113.62 103.90 2vb5 n SER 33 Ca -0.03 -0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 57.96 2vb5 n SER 33 Cb 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2vb5 n SER 33 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vb5 n ASP 34 N 0.00 6.46 -4.90 4.04 8.00 -1.26 -4.96 116.55 123.94 2vb5 n ASP 34 Ca 0.00 -3.04 -0.28 0.00 0.71 0.00 0.00 54.79 52.18 2vb5 n ASP 34 Cb 0.05 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.12 39.65 2vb5 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2vb5 s ILE 35 N 0.26 5.13 -0.52 0.53 2.07 -1.26 -3.79 121.20 123.61 2vb5 s ILE 35 Ca 0.49 -0.66 0.04 0.00 -1.41 0.00 0.00 60.65 59.10 2vb5 s ILE 35 Cb 0.14 -3.58 0.15 0.00 0.13 0.00 0.00 42.46 39.31 2vb5 s ILE 35 CO -0.05 0.00 0.33 -1.61 -1.91 0.00 0.00 174.94 171.71 2vb5 s GLU 36 N -2.89 1.67 -1.14 3.50 0.41 -0.39 -5.01 118.70 114.85 2vb5 s GLU 36 Ca 0.34 -2.51 -0.07 0.00 -0.41 0.00 0.00 54.97 52.32 2vb5 s GLU 36 Cb -0.12 -2.66 0.26 0.00 -1.78 0.00 0.00 34.13 29.84 2vb5 s GLU 36 CO 0.27 -1.22 1.46 0.28 -0.49 0.00 0.00 175.26 175.55 2vb5 n VAL 37 N 2.91 4.88 -2.83 2.63 0.31 -1.26 -2.67 118.33 122.31 2vb5 n VAL 37 Ca 0.15 -5.42 -0.42 0.00 -0.01 0.00 0.00 64.34 58.63 2vb5 n VAL 37 Cb 0.36 -2.29 0.01 0.00 -0.91 0.00 0.00 33.84 31.02 2vb5 n VAL 37 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2vb5 n ASP 38 N 2.50 6.55 -4.65 4.52 5.75 -0.98 -4.92 116.55 125.32 2vb5 n ASP 38 Ca 0.29 -3.44 -0.35 0.00 -0.01 0.00 0.00 54.79 51.28 2vb5 n ASP 38 Cb 0.36 -1.27 0.09 0.00 -1.03 0.00 0.00 41.12 39.27 2vb5 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2vb5 n LEU 39 N 1.29 4.17 -4.29 -2.12 -0.00 -1.26 -4.23 117.00 110.56 2vb5 n LEU 39 Ca 0.33 0.68 -0.17 0.00 -0.00 0.00 0.00 56.01 56.84 2vb5 n LEU 39 Cb 0.32 -1.46 -0.10 0.00 -0.00 0.00 0.00 43.42 42.18 2vb5 n LEU 39 CO 0.70 -1.77 -0.43 -0.76 -0.00 0.00 0.00 177.39 175.12 2vb5 s LEU 40 N -3.90 2.52 -0.37 1.47 1.43 -0.83 -3.87 118.68 115.12 2vb5 s LEU 40 Ca 0.75 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2vb5 s LEU 40 Cb -0.34 -0.54 0.10 0.00 0.03 0.00 0.00 46.19 45.44 2vb5 s LEU 40 CO 0.49 -0.22 0.12 -1.59 0.23 0.00 0.00 176.35 175.38 2vb5 s LYS 41 N -3.47 1.82 -1.48 1.70 -2.85 -0.81 -3.46 119.74 111.19 2vb5 s LYS 41 Ca 0.18 -1.80 -0.07 0.00 -1.00 0.00 0.00 55.97 53.28 2vb5 s LYS 41 Cb -0.01 -3.39 0.03 0.00 -2.06 0.00 0.00 37.83 32.40 2vb5 s LYS 41 CO 0.04 -0.98 0.68 0.09 0.10 0.00 0.00 175.35 175.28 2vb5 n ASN 42 N 4.45 -5.59 0.00 0.03 3.02 -1.24 -1.58 115.26 114.36 2vb5 n ASN 42 Ca -0.01 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 2vb5 n ASN 42 Cb 0.42 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 2vb5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vb5 n GLY 43 N -1.53 3.22 3.74 7.41 0.00 -1.26 -5.04 105.19 111.73 2vb5 n GLY 43 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2vb5 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vb5 s GLU 44 N -0.44 4.41 -0.40 1.61 2.02 -0.62 -4.96 118.70 120.32 2vb5 s GLU 44 Ca 0.00 2.04 -0.29 0.00 0.02 0.00 0.00 54.97 56.74 2vb5 s GLU 44 Cb 0.00 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.05 2vb5 s GLU 44 CO 0.00 -0.21 1.34 0.50 0.02 0.00 0.00 175.26 176.91 2vb5 s ARG 45 N -0.32 3.68 -0.39 1.61 3.00 -1.26 -1.93 118.95 123.34 2vb5 s ARG 45 Ca 0.55 0.95 -0.29 0.00 -1.00 0.00 0.00 55.73 55.94 2vb5 s ARG 45 Cb -0.36 -3.97 0.01 0.00 0.00 0.00 0.00 34.95 30.62 2vb5 s ARG 45 CO 0.39 -1.43 1.40 0.42 0.00 0.00 0.00 175.30 176.08 2vb5 s ILE 46 N 5.03 3.94 -0.45 4.11 1.01 -1.25 -4.91 121.20 128.68 2vb5 s ILE 46 Ca 0.58 0.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.16 2vb5 s ILE 46 Cb -0.13 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2vb5 s ILE 46 CO 0.30 -0.70 3.02 1.21 0.00 0.00 0.00 174.94 178.77 2vb5 n GLU 47 N 7.93 2.54 -2.70 2.79 4.07 -1.26 -4.08 120.64 129.94 2vb5 n GLU 47 Ca 0.16 -2.02 -0.06 0.00 -0.06 0.00 0.00 57.16 55.18 2vb5 n GLU 47 Cb 0.48 -2.18 0.08 0.00 -0.06 0.00 0.00 31.44 29.76 2vb5 n GLU 47 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2vb5 n LYS 48 N 1.59 0.43 -3.50 5.31 4.81 -1.26 -5.14 118.16 120.40 2vb5 n LYS 48 Ca 0.50 -1.15 -0.37 0.00 -0.87 0.00 0.00 58.31 56.42 2vb5 n LYS 48 Cb 0.62 -0.64 -0.08 0.00 0.02 0.00 0.00 35.03 34.96 2vb5 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2vb5 s VAL 49 N 0.26 5.28 0.54 3.15 1.01 -1.26 -4.68 120.40 124.69 2vb5 s VAL 49 Ca 0.25 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2vb5 s VAL 49 Cb 0.25 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 33.08 2vb5 s VAL 49 CO -0.15 0.33 0.74 -0.62 0.00 0.00 0.00 175.10 175.40 2vb5 n GLU 50 N 4.07 0.45 -3.57 2.72 4.71 -1.16 -5.01 120.64 122.84 2vb5 n GLU 50 Ca -0.11 -2.56 -0.08 0.00 -0.01 0.00 0.00 57.16 54.41 2vb5 n GLU 50 Cb 0.52 -0.32 -0.03 0.00 -1.01 0.00 0.00 31.44 30.59 2vb5 n GLU 50 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 2vb5 s HIS 51 N -2.24 -0.27 -0.38 -0.32 -3.43 -1.22 -4.03 115.29 103.40 2vb5 s HIS 51 Ca 0.53 0.32 0.04 0.00 -0.80 0.00 0.00 55.06 55.16 2vb5 s HIS 51 Cb -0.04 0.49 0.58 0.00 -1.43 0.00 0.00 32.58 32.19 2vb5 s HIS 51 CO 0.34 -0.33 1.76 0.45 -2.00 0.00 0.00 174.74 174.96 2vb5 n SER 52 N 0.25 3.78 -3.84 7.38 2.88 -1.25 -4.82 113.62 118.00 2vb5 n SER 52 Ca -0.06 -3.30 -0.24 0.00 -1.33 0.00 0.00 58.87 53.93 2vb5 n SER 52 Cb 0.59 -0.77 0.01 0.00 -0.75 0.00 0.00 64.21 63.28 2vb5 n SER 52 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2vb5 n ASP 53 N -0.75 -1.20 -3.21 -3.46 2.03 -1.26 -3.90 116.55 104.80 2vb5 n ASP 53 Ca 0.48 -0.90 -0.23 0.00 0.52 0.00 0.00 54.79 54.66 2vb5 n ASP 53 Cb 1.45 -3.60 0.02 0.00 -0.72 0.00 0.00 41.12 38.28 2vb5 n ASP 53 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2vb5 n LEU 54 N -4.36 -4.85 -4.66 -2.67 7.94 -1.26 -4.89 117.00 102.25 2vb5 n LEU 54 Ca -0.26 0.23 -0.42 0.00 -1.11 0.00 0.00 56.01 54.44 2vb5 n LEU 54 Cb 0.66 -2.34 -0.03 0.00 0.53 0.00 0.00 43.42 42.24 2vb5 n LEU 54 CO 0.72 -1.15 0.72 -0.44 -1.11 0.00 0.00 177.39 176.13 2vb5 s SER 55 N -1.84 6.97 -0.56 1.96 0.01 -1.24 -4.93 113.70 114.08 2vb5 s SER 55 Ca 0.28 1.21 -0.20 0.00 1.31 0.00 0.00 55.95 58.55 2vb5 s SER 55 Cb -0.04 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.78 2vb5 s SER 55 CO 0.76 -0.52 0.74 -0.36 0.41 0.00 0.00 173.24 174.28 2vb5 s PHE 56 N 2.66 2.94 0.52 2.43 0.08 -1.26 -2.27 117.98 123.08 2vb5 s PHE 56 Ca 0.39 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.64 2vb5 s PHE 56 Cb -0.16 -3.86 -0.06 0.00 -0.57 0.00 0.00 43.02 38.37 2vb5 s PHE 56 CO 0.09 -1.25 1.23 0.45 -0.10 0.00 0.00 175.22 175.64 2vb5 s SER 57 N 3.13 5.66 0.42 1.36 0.15 -0.59 -4.94 113.70 118.89 2vb5 s SER 57 Ca 0.17 2.45 0.08 0.00 0.70 0.00 0.00 55.95 59.35 2vb5 s SER 57 Cb -0.19 -2.61 0.89 0.00 -1.71 0.00 0.00 66.02 62.40 2vb5 s SER 57 CO 0.11 -1.27 2.05 0.07 1.20 0.00 0.00 173.24 175.40 2vb5 h LYS 58 N 1.57 0.51 -0.17 5.44 5.09 -1.97 -1.97 116.57 125.07 2vb5 h LYS 58 Ca -0.50 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.20 2vb5 h LYS 58 Cb 1.27 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 33.48 2vb5 h LYS 58 CO 0.58 0.34 0.08 0.22 -2.09 0.00 0.00 179.45 178.58 2vb5 h ASP 59 N 0.53 0.22 0.00 7.07 3.58 -2.03 -3.48 116.42 122.30 2vb5 h ASP 59 Ca 0.17 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2vb5 h ASP 59 Cb 0.02 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2vb5 h ASP 59 CO -0.04 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 2vb5 n GLY 60 N -0.80 0.83 3.37 -0.78 0.00 -0.74 -5.17 105.19 101.89 2vb5 n GLY 60 Ca -0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2vb5 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vb5 s SER 61 N -0.03 -0.53 -0.89 1.61 0.01 -1.26 -4.95 113.70 107.66 2vb5 s SER 61 Ca 0.00 0.98 -0.06 0.00 1.31 0.00 0.00 55.95 58.17 2vb5 s SER 61 Cb 0.00 0.96 0.23 0.00 0.21 0.00 0.00 66.02 67.42 2vb5 s SER 61 CO 0.00 -0.18 0.81 -0.36 0.41 0.00 0.00 173.24 173.92 2vb5 s PHE 62 N 0.54 3.88 -0.42 2.43 0.08 -1.26 -1.55 117.98 121.68 2vb5 s PHE 62 Ca -0.02 -2.67 -0.10 0.00 0.12 0.00 0.00 56.93 54.26 2vb5 s PHE 62 Cb -0.04 -3.52 0.08 0.00 -0.57 0.00 0.00 43.02 38.97 2vb5 s PHE 62 CO -0.03 -0.87 0.27 1.52 -0.10 0.00 0.00 175.22 176.02 2vb5 s TYR 63 N -0.79 3.34 0.37 0.36 1.13 -0.96 -3.23 117.35 117.57 2vb5 s TYR 63 Ca 0.24 -1.50 0.07 0.00 -1.41 0.00 0.00 57.07 54.48 2vb5 s TYR 63 Cb -0.11 -2.99 -0.01 0.00 -1.10 0.00 0.00 41.96 37.75 2vb5 s TYR 63 CO -0.09 -0.85 0.46 -0.51 -2.51 0.00 0.00 175.55 172.05 2vb5 s LEU 64 N 1.44 3.76 -0.44 -3.49 1.02 -1.26 -3.69 118.68 116.01 2vb5 s LEU 64 Ca 0.03 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.84 2vb5 s LEU 64 Cb -0.23 -2.56 0.13 0.00 0.02 0.00 0.00 46.19 43.55 2vb5 s LEU 64 CO 0.02 -0.53 0.21 -0.22 0.02 0.00 0.00 176.35 175.86 2vb5 s LEU 65 N -4.18 3.34 -1.07 1.79 2.96 -1.26 -3.64 118.68 116.62 2vb5 s LEU 65 Ca 0.47 -2.61 -0.16 0.00 -0.22 0.00 0.00 54.13 51.62 2vb5 s LEU 65 Cb -0.08 -1.26 0.16 0.00 0.50 0.00 0.00 46.19 45.51 2vb5 s LEU 65 CO 0.30 -0.28 1.27 -0.31 -1.32 0.00 0.00 176.35 176.01 2vb5 s TYR 66 N 0.32 3.38 -0.11 5.38 1.51 -1.18 -3.37 117.35 123.28 2vb5 s TYR 66 Ca 0.16 -1.84 -0.04 0.00 -1.01 0.00 0.00 57.07 54.34 2vb5 s TYR 66 Cb -0.24 -4.26 -0.04 0.00 -0.11 0.00 0.00 41.96 37.31 2vb5 s TYR 66 CO -0.03 -1.40 0.04 1.52 -1.11 0.00 0.00 175.55 174.57 2vb5 s TYR 67 N 1.87 3.25 0.00 2.71 1.13 -1.26 -2.92 117.35 122.13 2vb5 s TYR 67 Ca 0.37 0.20 0.00 0.00 -1.41 0.00 0.00 57.07 56.23 2vb5 s TYR 67 Cb -0.04 -1.88 0.00 0.00 -1.10 0.00 0.00 41.96 38.94 2vb5 s TYR 67 CO -0.05 0.43 0.00 -2.37 -2.51 0.00 0.00 175.55 171.05 2vb5 n THR 68 N 2.45 0.00 -2.98 -3.49 5.66 -1.26 -3.01 114.28 111.66 2vb5 n THR 68 Ca -0.18 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.63 2vb5 n THR 68 Cb 0.54 -0.97 -0.02 0.00 -1.55 0.00 0.00 70.33 68.33 2vb5 n THR 68 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2vb5 n GLU 69 N -0.31 1.58 -2.12 1.09 0.00 -1.26 -3.76 120.64 115.86 2vb5 n GLU 69 Ca 0.00 -3.69 -0.35 0.00 0.00 0.00 0.00 57.16 53.12 2vb5 n GLU 69 Cb 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 31.44 29.72 2vb5 n GLU 69 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 2vb5 s PHE 70 N -2.85 2.58 -0.55 -1.84 -0.71 -0.33 -4.65 117.98 109.63 2vb5 s PHE 70 Ca 0.39 1.54 -0.07 0.00 -1.04 0.00 0.00 56.93 57.75 2vb5 s PHE 70 Cb 0.37 -3.33 0.14 0.00 -1.21 0.00 0.00 43.02 38.99 2vb5 s PHE 70 CO -0.07 -1.78 0.41 0.99 -1.34 0.00 0.00 175.22 173.42 2vb5 s THR 71 N -1.79 4.10 -0.34 -4.49 2.01 -1.26 -1.06 115.64 112.81 2vb5 s THR 71 Ca 0.73 -2.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.19 2vb5 s THR 71 Cb -0.25 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2vb5 s THR 71 CO 0.30 -0.83 1.64 -2.16 -0.69 0.00 0.00 174.62 172.89 2vb5 s PRO 72 N 0.76 3.49 -0.01 4.92 0.04 -1.26 -4.91 135.00 138.03 2vb5 s PRO 72 Ca 0.11 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 2vb5 s PRO 72 Cb -0.22 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 2vb5 s PRO 72 CO -0.03 -1.67 0.69 1.15 0.04 0.00 0.00 177.00 177.18 2vb5 h THR 73 N 6.60 0.00 0.00 1.26 2.02 -1.93 -0.39 112.91 120.47 2vb5 h THR 73 Ca -0.32 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2vb5 h THR 73 Cb 1.14 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2vb5 h THR 73 CO 1.04 0.00 0.00 1.21 0.37 0.00 0.00 175.52 178.14 2vb5 n GLU 74 N -3.54 0.00 -2.14 6.66 2.13 -1.26 -2.99 120.64 119.49 2vb5 n GLU 74 Ca -0.04 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.39 2vb5 n GLU 74 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.85 2vb5 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2vb5 n LYS 75 N -0.72 4.24 -2.19 5.31 4.81 -1.26 -4.96 118.16 123.39 2vb5 n LYS 75 Ca 0.00 -3.75 -0.27 0.00 -0.87 0.00 0.00 58.31 53.42 2vb5 n LYS 75 Cb 0.00 -2.43 0.11 0.00 0.02 0.00 0.00 35.03 32.73 2vb5 n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2vb5 s ASP 76 N -0.54 4.25 -0.45 3.14 1.01 -1.26 -5.08 116.67 117.74 2vb5 s ASP 76 Ca 0.49 0.26 0.07 0.00 0.71 0.00 0.00 52.55 54.08 2vb5 s ASP 76 Cb 0.26 -0.69 0.23 0.00 1.01 0.00 0.00 42.92 43.74 2vb5 s ASP 76 CO -0.19 -1.97 0.70 -1.84 0.21 0.00 0.00 175.17 172.08 2vb5 n GLU 77 N -3.16 0.68 -2.18 8.23 0.00 -1.26 -5.10 120.64 117.85 2vb5 n GLU 77 Ca 0.11 -2.40 -0.40 0.00 0.00 0.00 0.00 57.16 54.48 2vb5 n GLU 77 Cb 0.60 -1.40 -0.02 0.00 0.00 0.00 0.00 31.44 30.63 2vb5 n GLU 77 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2vb5 s TYR 78 N 0.02 3.07 -0.19 -1.84 2.02 -1.26 -3.58 117.35 115.58 2vb5 s TYR 78 Ca 0.33 1.48 -0.16 0.00 -0.37 0.00 0.00 57.07 58.35 2vb5 s TYR 78 Cb 0.17 -3.57 0.05 0.00 -0.40 0.00 0.00 41.96 38.21 2vb5 s TYR 78 CO -0.18 -1.63 0.50 0.00 -1.57 0.00 0.00 175.55 172.68 2vb5 s ALA 79 N -1.22 -1.27 -0.18 3.71 0.00 -1.23 -3.37 121.76 118.21 2vb5 s ALA 79 Ca 0.51 1.54 -0.18 0.00 0.00 0.00 0.00 51.96 53.83 2vb5 s ALA 79 Cb -0.37 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2vb5 s ALA 79 CO 0.48 -0.26 0.51 0.00 0.00 0.00 0.00 175.76 176.49 2vb5 s ARG 81 N 1.45 3.11 -0.61 0.00 3.00 -1.26 -1.14 118.95 123.50 2vb5 s ARG 81 Ca 0.24 -1.35 -0.04 0.00 -1.00 0.00 0.00 55.73 53.58 2vb5 s ARG 81 Cb -0.15 -4.31 0.16 0.00 0.00 0.00 0.00 34.95 30.64 2vb5 s ARG 81 CO 0.10 -1.58 0.44 0.08 0.00 0.00 0.00 175.30 174.34 2vb5 s VAL 82 N 2.72 3.88 0.08 7.11 1.01 -0.42 -2.32 120.40 132.45 2vb5 s VAL 82 Ca 0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 61.98 59.36 2vb5 s VAL 82 Cb -0.22 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2vb5 s VAL 82 CO 0.05 -0.87 0.24 0.21 0.00 0.00 0.00 175.10 174.74 2vb5 s ASN 83 N 1.06 6.38 0.18 3.32 3.84 -1.09 -1.39 114.94 127.24 2vb5 s ASN 83 Ca 0.15 0.33 -0.11 0.00 0.21 0.00 0.00 52.86 53.45 2vb5 s ASN 83 Cb -0.20 -1.98 -0.00 0.00 -0.55 0.00 0.00 41.25 38.51 2vb5 s ASN 83 CO -0.04 0.14 0.34 -2.28 -2.79 0.00 0.00 177.10 172.48 2vb5 s HIS 84 N -1.54 0.32 0.52 0.43 5.65 -1.26 -1.27 115.29 118.14 2vb5 s HIS 84 Ca 0.36 -0.68 0.19 0.00 0.25 0.00 0.00 55.06 55.18 2vb5 s HIS 84 Cb -0.13 0.03 1.29 0.00 -1.18 0.00 0.00 32.58 32.60 2vb5 s HIS 84 CO 0.27 -0.78 2.09 0.28 -0.65 0.00 0.00 174.74 175.95 2vb5 h VAL 85 N 2.45 0.91 -0.32 0.89 2.07 -1.94 -1.57 116.25 118.74 2vb5 h VAL 85 Ca -0.31 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2vb5 h VAL 85 Cb 1.24 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2vb5 h VAL 85 CO 0.45 0.01 -0.32 0.71 0.02 0.00 0.00 177.57 178.44 2vb5 h THR 86 N 0.03 1.29 -3.57 2.57 1.35 -1.93 -3.43 112.91 109.21 2vb5 h THR 86 Ca 0.10 -1.49 -0.62 0.00 -0.55 0.00 0.00 66.41 63.85 2vb5 h THR 86 Cb 0.37 1.52 -0.13 0.00 -1.73 0.00 0.00 68.15 68.19 2vb5 h THR 86 CO -0.00 0.48 0.04 -0.76 -0.25 0.00 0.00 175.52 175.03 2vb5 s LEU 87 N -8.94 4.15 0.05 3.87 1.43 -0.59 -4.96 118.68 113.68 2vb5 s LEU 87 Ca -0.12 0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 2vb5 s LEU 87 Cb 0.09 -2.70 -0.17 0.00 0.03 0.00 0.00 46.19 43.44 2vb5 s LEU 87 CO 0.85 -0.40 1.55 -1.28 0.23 0.00 0.00 176.35 177.30 2vb5 h SER 88 N 8.18 -0.02 -3.43 2.29 0.87 -1.85 -3.36 113.55 116.23 2vb5 h SER 88 Ca -0.28 -0.18 -0.52 0.00 -1.23 0.00 0.00 61.79 59.58 2vb5 h SER 88 Cb 1.13 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2vb5 h SER 88 CO 0.76 0.17 -0.06 0.00 -0.53 0.00 0.00 176.83 177.17 2vb5 s GLN 89 N -5.44 3.75 0.13 2.24 -2.07 -1.26 -5.01 119.66 111.99 2vb5 s GLN 89 Ca -0.14 0.24 -0.30 0.00 -1.82 0.00 0.00 55.36 53.34 2vb5 s GLN 89 Cb 0.04 -2.58 -0.07 0.00 -1.09 0.00 0.00 33.01 29.32 2vb5 s GLN 89 CO 0.66 0.19 1.19 -1.25 -1.32 0.00 0.00 175.29 174.77 2vb5 s PRO 90 N -3.31 4.48 -0.55 9.60 0.04 -1.26 -4.76 135.00 139.23 2vb5 s PRO 90 Ca 0.47 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 2vb5 s PRO 90 Cb -0.11 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 31.19 2vb5 s PRO 90 CO 0.26 -0.15 0.86 0.21 0.04 0.00 0.00 177.00 178.22 2vb5 s LYS 91 N 0.32 3.26 -1.12 4.56 2.20 -0.49 -4.87 119.74 123.60 2vb5 s LYS 91 Ca 0.55 -0.48 -0.20 0.00 -0.36 0.00 0.00 55.97 55.48 2vb5 s LYS 91 Cb -0.31 -4.08 0.07 0.00 -1.51 0.00 0.00 37.83 32.00 2vb5 s LYS 91 CO 0.33 -1.44 1.52 0.42 -0.36 0.00 0.00 175.35 175.82 2vb5 s ILE 92 N 3.61 4.15 -0.10 5.43 -1.09 -1.26 -1.30 121.20 130.63 2vb5 s ILE 92 Ca 0.26 -1.37 -0.30 0.00 -2.23 0.00 0.00 60.65 57.01 2vb5 s ILE 92 Cb -0.15 -5.07 -0.03 0.00 -1.58 0.00 0.00 42.46 35.63 2vb5 s ILE 92 CO 0.16 -1.91 1.29 -0.69 -1.23 0.00 0.00 174.94 172.56 2vb5 s VAL 93 N 4.26 4.15 -0.58 2.92 1.01 -0.29 -4.89 120.40 126.98 2vb5 s VAL 93 Ca 0.47 1.44 -0.24 0.00 0.00 0.00 0.00 61.98 63.65 2vb5 s VAL 93 Cb 0.01 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2vb5 s VAL 93 CO -0.03 -0.07 0.98 -0.54 0.00 0.00 0.00 175.10 175.44 2vb5 s LYS 94 N 2.95 3.31 -0.36 2.72 1.02 -1.26 -1.95 119.74 126.17 2vb5 s LYS 94 Ca 0.58 -0.30 -0.38 0.00 0.02 0.00 0.00 55.97 55.89 2vb5 s LYS 94 Cb -0.25 -4.08 -0.14 0.00 -0.52 0.00 0.00 37.83 32.85 2vb5 s LYS 94 CO 0.20 -1.58 2.09 1.87 -0.92 0.00 0.00 175.35 177.01 2vb5 n TRP 95 N 7.66 1.61 -2.42 3.18 -0.00 -1.22 -4.91 117.44 121.35 2vb5 n TRP 95 Ca 0.02 0.42 -0.43 0.00 -0.00 0.00 0.00 57.50 57.51 2vb5 n TRP 95 Cb 0.47 -2.47 -0.02 0.00 -0.00 0.00 0.00 31.31 29.29 2vb5 n TRP 95 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2vb5 s ASP 96 N 6.32 6.39 0.38 5.87 3.68 -1.26 -4.89 116.67 133.16 2vb5 s ASP 96 Ca 1.09 0.67 0.19 0.00 2.13 0.00 0.00 52.55 56.64 2vb5 s ASP 96 Cb -1.02 -2.54 0.68 0.00 -1.45 0.00 0.00 42.92 38.59 2vb5 s ASP 96 CO 0.56 -1.42 1.73 0.08 0.13 0.00 0.00 175.17 176.25 2vb5 h ARG 97 N 10.36 0.00 -1.73 4.34 -0.00 -1.93 -3.23 114.38 122.19 2vb5 h ARG 97 Ca -0.26 0.00 -0.51 0.00 -0.00 0.00 0.00 59.98 59.21 2vb5 h ARG 97 Cb 1.09 0.00 -0.19 0.00 -0.00 0.00 0.00 29.97 30.87 2vb5 h ARG 97 CO 1.11 0.36 0.56 -0.25 -0.00 0.00 0.00 179.97 181.74 2vb5 n ASP 98 N -3.50 6.78 -0.13 0.08 10.43 -1.26 -4.76 116.55 124.20 2vb5 n ASP 98 Ca -0.00 -3.33 0.15 0.00 2.57 0.00 0.00 54.79 54.18 2vb5 n ASP 98 Cb 0.51 -1.13 0.84 0.00 1.84 0.00 0.00 41.12 43.18 2vb5 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93