#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 0.00 -1.18 3.17 1.10 -1.26 -5.07 121.20 117.96 2vb5 s ILE 1 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.10 2vb5 s ILE 1 Cb 0.00 -1.00 0.19 0.00 0.15 0.00 0.00 42.46 41.80 2vb5 s ILE 1 CO 0.00 0.00 2.19 0.00 -2.11 0.00 0.00 174.94 175.02 2vb5 n GLN 2 N 3.95 4.80 -2.45 3.50 1.13 -1.26 -4.64 117.38 122.41 2vb5 n GLN 2 Ca -0.19 -3.86 -0.41 0.00 -1.94 0.00 0.00 57.00 50.60 2vb5 n GLN 2 Cb 0.58 -2.55 -0.04 0.00 0.11 0.00 0.00 30.24 28.34 2vb5 n GLN 2 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2vb5 s ARG 3 N -2.38 4.55 0.31 -1.09 3.52 -1.26 -4.94 118.95 117.67 2vb5 s ARG 3 Ca 0.49 1.79 -0.06 0.00 -0.13 0.00 0.00 55.73 57.81 2vb5 s ARG 3 Cb 0.20 -3.26 -0.06 0.00 -1.56 0.00 0.00 34.95 30.27 2vb5 s ARG 3 CO -0.12 0.01 0.60 0.95 -0.81 0.00 0.00 175.30 175.93 2vb5 s THR 4 N -0.19 4.97 0.09 4.11 -4.23 -1.22 -1.91 115.64 117.26 2vb5 s THR 4 Ca 0.51 0.19 -0.31 0.00 -1.18 0.00 0.00 61.69 60.90 2vb5 s THR 4 Cb -0.31 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 69.72 2vb5 s THR 4 CO 0.36 -0.35 1.58 -2.16 -0.54 0.00 0.00 174.62 173.51 2vb5 s PRO 5 N -3.57 4.22 0.22 3.99 0.04 -1.26 -4.18 135.00 134.47 2vb5 s PRO 5 Ca 0.46 2.27 -0.19 0.00 0.04 0.00 0.00 61.00 63.58 2vb5 s PRO 5 Cb -0.11 -3.47 -0.08 0.00 0.04 0.00 0.00 34.50 30.88 2vb5 s PRO 5 CO 0.30 -0.66 0.71 0.21 0.04 0.00 0.00 177.00 177.59 2vb5 s LYS 6 N 2.15 4.21 -0.32 4.56 2.47 -0.11 -4.93 119.74 127.78 2vb5 s LYS 6 Ca 0.71 0.82 -0.14 0.00 -1.56 0.00 0.00 55.97 55.80 2vb5 s LYS 6 Cb -0.39 -2.84 -0.02 0.00 -1.46 0.00 0.00 37.83 33.11 2vb5 s LYS 6 CO 0.31 0.38 0.33 0.42 0.16 0.00 0.00 175.35 176.95 2vb5 s ILE 7 N -1.56 5.20 -0.44 5.43 1.09 -1.26 -3.55 121.20 126.11 2vb5 s ILE 7 Ca 0.43 0.17 0.06 0.00 -1.10 0.00 0.00 60.65 60.21 2vb5 s ILE 7 Cb -0.16 -3.74 0.20 0.00 -1.06 0.00 0.00 42.46 37.69 2vb5 s ILE 7 CO 0.20 0.02 0.53 0.00 -0.10 0.00 0.00 174.94 175.60 2vb5 n GLN 8 N 5.31 0.44 -3.46 2.79 6.02 -1.26 -5.08 117.38 122.13 2vb5 n GLN 8 Ca -0.10 -2.74 -0.43 0.00 -0.01 0.00 0.00 57.00 53.72 2vb5 n GLN 8 Cb 0.50 -1.51 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 2vb5 n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2vb5 s VAL 9 N 0.09 4.92 0.17 5.09 1.01 -1.26 -2.32 120.40 128.11 2vb5 s VAL 9 Ca 0.33 -2.54 0.07 0.00 0.00 0.00 0.00 61.98 59.84 2vb5 s VAL 9 Cb 0.08 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2vb5 s VAL 9 CO -0.15 -0.96 -0.02 -0.72 0.00 0.00 0.00 175.10 173.25 2vb5 s TYR 10 N 0.23 2.81 -0.08 5.22 -0.85 -1.16 -3.40 117.35 120.12 2vb5 s TYR 10 Ca 0.16 -0.15 -0.11 0.00 -0.52 0.00 0.00 57.07 56.45 2vb5 s TYR 10 Cb -0.15 -1.37 -0.05 0.00 0.38 0.00 0.00 41.96 40.77 2vb5 s TYR 10 CO -0.06 0.51 0.28 0.45 -1.52 0.00 0.00 175.55 175.21 2vb5 s SER 11 N -2.88 6.57 0.02 -0.18 0.15 -1.26 -0.52 113.70 115.59 2vb5 s SER 11 Ca 0.27 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 57.32 2vb5 s SER 11 Cb -0.09 -2.16 -0.15 0.00 -1.71 0.00 0.00 66.02 61.90 2vb5 s SER 11 CO 0.18 0.32 1.16 -0.09 1.20 0.00 0.00 173.24 176.01 2vb5 h ARG 12 N 5.17 -0.91 -6.60 5.44 9.65 -1.31 -3.45 114.38 122.38 2vb5 h ARG 12 Ca -0.51 0.06 -0.50 0.00 -1.10 0.00 0.00 59.98 57.93 2vb5 h ARG 12 Cb 1.21 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 30.00 2vb5 h ARG 12 CO 0.63 -0.59 -0.08 -1.01 2.80 0.00 0.00 179.97 181.71 2vb5 s HIS 13 N -4.79 3.49 0.29 2.20 3.76 -1.26 -5.02 115.29 113.96 2vb5 s HIS 13 Ca -0.15 0.66 -0.29 0.00 -0.15 0.00 0.00 55.06 55.13 2vb5 s HIS 13 Cb 0.02 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.48 2vb5 s HIS 13 CO 0.45 0.07 1.24 -1.25 -0.85 0.00 0.00 174.74 174.39 2vb5 s PRO 14 N -3.89 4.46 -0.78 8.40 0.04 -1.26 -4.88 135.00 137.08 2vb5 s PRO 14 Ca 0.45 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.53 2vb5 s PRO 14 Cb -0.10 -3.13 0.36 0.00 0.04 0.00 0.00 34.50 31.66 2vb5 s PRO 14 CO 0.33 -0.06 1.79 0.00 0.04 0.00 0.00 177.00 179.09 2vb5 n ALA 15 N 1.28 6.12 0.06 8.56 0.00 -1.26 -4.69 120.51 130.58 2vb5 n ALA 15 Ca 0.01 -4.25 -0.04 0.00 0.00 0.00 0.00 53.44 49.16 2vb5 n ALA 15 Cb 0.43 -1.70 0.19 0.00 0.00 0.00 0.00 19.45 18.37 2vb5 n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2vb5 h GLU 16 N 3.08 0.34 -4.22 0.00 4.81 -2.02 -3.45 114.58 113.11 2vb5 h GLU 16 Ca 0.50 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 59.41 2vb5 h GLU 16 Cb 0.25 -0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.46 2vb5 h GLU 16 CO 1.27 0.69 -0.69 1.21 -0.73 0.00 0.00 179.01 180.76 2vb5 s ASN 17 N -6.87 0.50 -0.42 1.04 2.47 -1.26 -5.11 114.94 105.29 2vb5 s ASN 17 Ca -0.05 -0.82 -0.28 0.00 0.42 0.00 0.00 52.86 52.13 2vb5 s ASN 17 Cb 0.13 0.15 -0.02 0.00 -1.45 0.00 0.00 41.25 40.06 2vb5 s ASN 17 CO 0.79 -0.47 1.86 -0.83 -3.72 0.00 0.00 177.10 174.73 2vb5 s GLY 18 N -2.40 0.55 0.00 1.21 0.00 -1.26 -4.84 107.32 100.58 2vb5 s GLY 18 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2vb5 s GLY 18 CO -0.06 3.37 0.00 1.17 0.00 0.00 0.00 173.10 177.58 2vb5 n LYS 19 N 8.68 0.00 -3.86 2.90 4.81 -1.26 -4.97 118.16 124.46 2vb5 n LYS 19 Ca 0.23 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.32 2vb5 n LYS 19 Cb 0.49 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.40 2vb5 n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2vb5 s SER 20 N 1.47 4.56 -0.03 3.14 0.01 -1.26 -4.25 113.70 117.33 2vb5 s SER 20 Ca 0.00 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 2vb5 s SER 20 Cb 0.00 -1.80 0.03 0.00 0.21 0.00 0.00 66.02 64.46 2vb5 s SER 20 CO 0.00 -0.02 0.05 0.20 0.41 0.00 0.00 173.24 173.88 2vb5 s ASN 21 N 1.52 0.70 -0.07 2.44 -0.87 -1.15 -4.85 114.94 112.66 2vb5 s ASN 21 Ca 0.06 0.07 -0.20 0.00 -1.57 0.00 0.00 52.86 51.21 2vb5 s ASN 21 Cb -0.14 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.25 40.94 2vb5 s ASN 21 CO -0.01 -0.20 0.58 -0.36 -2.57 0.00 0.00 177.10 174.53 2vb5 s PHE 22 N 1.73 3.58 0.85 2.20 0.08 -1.26 -1.49 117.98 123.68 2vb5 s PHE 22 Ca -0.01 1.09 -0.12 0.00 0.12 0.00 0.00 56.93 58.01 2vb5 s PHE 22 Cb -0.12 -2.64 0.10 0.00 -0.57 0.00 0.00 43.02 39.79 2vb5 s PHE 22 CO -0.03 0.20 1.12 -1.17 -0.10 0.00 0.00 175.22 175.24 2vb5 s LEU 23 N 0.43 2.31 -0.43 -0.37 2.96 -0.72 -0.89 118.68 121.97 2vb5 s LEU 23 Ca 0.31 1.15 0.05 0.00 -0.22 0.00 0.00 54.13 55.42 2vb5 s LEU 23 Cb -0.17 -3.62 0.19 0.00 0.50 0.00 0.00 46.19 43.10 2vb5 s LEU 23 CO 0.15 -2.26 0.48 0.59 -1.32 0.00 0.00 176.35 173.99 2vb5 n ASN 24 N -3.60 -1.10 -4.53 3.68 3.02 0.32 -4.22 115.26 108.83 2vb5 n ASN 24 Ca 0.07 -2.60 -0.41 0.00 -0.03 0.00 0.00 54.58 51.61 2vb5 n ASN 24 Cb 0.58 0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.77 2vb5 n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vb5 n TYR 26 N 9.14 4.88 -3.58 0.00 9.36 -0.98 -2.96 117.16 133.03 2vb5 n TYR 26 Ca 0.49 -3.56 -0.39 0.00 3.32 0.00 0.00 57.90 57.75 2vb5 n TYR 26 Cb 0.46 -1.89 -0.11 0.00 -0.63 0.00 0.00 39.34 37.17 2vb5 n TYR 26 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2vb5 s VAL 27 N -0.15 5.22 0.21 2.97 -7.23 -1.13 -4.18 120.40 116.10 2vb5 s VAL 27 Ca 0.36 -0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.55 2vb5 s VAL 27 Cb -0.05 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2vb5 s VAL 27 CO -0.03 0.14 0.25 -0.94 -0.31 0.00 0.00 175.10 174.21 2vb5 s SER 28 N 1.73 5.95 -0.42 4.85 1.04 -1.23 -3.09 113.70 122.53 2vb5 s SER 28 Ca 0.06 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2vb5 s SER 28 Cb -0.17 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2vb5 s SER 28 CO 0.10 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2vb5 n GLY 29 N -0.92 0.22 3.43 7.32 0.00 -1.26 -0.93 105.19 113.05 2vb5 n GLY 29 Ca -0.08 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.24 2.84 -0.14 1.61 -0.71 -1.26 -3.41 117.98 114.67 2vb5 s PHE 30 Ca 0.00 -0.62 -0.12 0.00 -1.04 0.00 0.00 56.93 55.15 2vb5 s PHE 30 Cb 0.00 -4.08 -0.05 0.00 -1.21 0.00 0.00 43.02 37.68 2vb5 s PHE 30 CO 0.00 -1.43 0.25 -1.01 -1.34 0.00 0.00 175.22 171.70 2vb5 s HIS 31 N 3.43 3.50 -0.12 3.49 3.76 -0.80 -3.52 115.29 125.03 2vb5 s HIS 31 Ca 0.19 0.58 -0.10 0.00 -0.15 0.00 0.00 55.06 55.57 2vb5 s HIS 31 Cb -0.19 -2.24 -0.08 0.00 1.11 0.00 0.00 32.58 31.17 2vb5 s HIS 31 CO 0.10 0.37 0.20 -1.00 -0.85 0.00 0.00 174.74 173.56 2vb5 h PRO 32 N 6.20 0.00 0.00 8.40 0.13 -1.87 -3.36 132.00 141.50 2vb5 h PRO 32 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2vb5 h PRO 32 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2vb5 h PRO 32 CO 0.71 0.33 0.00 0.45 -0.23 0.00 0.00 178.00 179.26 2vb5 n SER 33 N -4.70 0.00 -3.64 1.44 2.88 -1.23 -4.82 113.62 103.56 2vb5 n SER 33 Ca -0.05 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.07 2vb5 n SER 33 Cb 0.20 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 2vb5 n SER 33 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2vb5 n ASP 34 N -0.11 3.49 -4.94 -3.46 5.75 -1.26 -4.93 116.55 111.08 2vb5 n ASP 34 Ca 0.00 -2.73 -0.25 0.00 -0.01 0.00 0.00 54.79 51.80 2vb5 n ASP 34 Cb 0.00 -1.37 -0.02 0.00 -1.03 0.00 0.00 41.12 38.69 2vb5 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2vb5 s ILE 35 N 4.00 5.18 -0.50 2.12 2.07 -1.26 -4.17 121.20 128.63 2vb5 s ILE 35 Ca 0.52 -0.54 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 2vb5 s ILE 35 Cb 0.14 -3.81 0.16 0.00 0.13 0.00 0.00 42.46 39.08 2vb5 s ILE 35 CO 0.01 -0.36 0.34 -1.61 -1.91 0.00 0.00 174.94 171.41 2vb5 s GLU 36 N -3.86 1.49 -1.16 3.50 2.02 -0.40 -5.01 118.70 115.29 2vb5 s GLU 36 Ca 0.38 -2.41 -0.17 0.00 0.02 0.00 0.00 54.97 52.80 2vb5 s GLU 36 Cb -0.10 -2.34 0.12 0.00 0.10 0.00 0.00 34.13 31.91 2vb5 s GLU 36 CO 0.32 -1.27 1.46 0.08 0.02 0.00 0.00 175.26 175.87 2vb5 s VAL 37 N -0.24 4.63 0.79 2.63 1.01 -1.26 -2.27 120.40 125.68 2vb5 s VAL 37 Ca 0.24 -2.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.08 2vb5 s VAL 37 Cb -0.10 -4.98 0.12 0.00 0.00 0.00 0.00 36.38 31.43 2vb5 s VAL 37 CO -0.11 -1.74 1.10 -0.62 0.00 0.00 0.00 175.10 173.74 2vb5 s ASP 38 N 3.56 4.15 0.06 3.32 2.15 -1.11 -4.94 116.67 123.87 2vb5 s ASP 38 Ca 0.44 0.14 -0.07 0.00 0.43 0.00 0.00 52.55 53.50 2vb5 s ASP 38 Cb -0.01 -0.52 -0.01 0.00 -0.30 0.00 0.00 42.92 42.07 2vb5 s ASP 38 CO -0.01 -2.03 0.13 -1.48 -0.17 0.00 0.00 175.17 171.62 2vb5 s LEU 39 N -5.41 1.69 0.23 -1.34 2.34 -1.26 -0.63 118.68 114.30 2vb5 s LEU 39 Ca 0.66 -0.65 0.06 0.00 0.06 0.00 0.00 54.13 54.26 2vb5 s LEU 39 Cb -0.07 0.78 -0.05 0.00 -0.56 0.00 0.00 46.19 46.29 2vb5 s LEU 39 CO 0.47 -0.64 -0.08 -0.76 -1.06 0.00 0.00 176.35 174.28 2vb5 s LEU 40 N -2.62 2.46 -0.34 1.48 1.43 -0.40 -4.62 118.68 116.08 2vb5 s LEU 40 Ca 0.02 -1.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.02 2vb5 s LEU 40 Cb 0.03 -0.56 0.16 0.00 0.03 0.00 0.00 46.19 45.85 2vb5 s LEU 40 CO -0.09 -0.31 0.40 -1.59 0.23 0.00 0.00 176.35 174.99 2vb5 s LYS 41 N -3.73 0.55 -1.47 1.70 -2.85 -0.18 -1.55 119.74 112.21 2vb5 s LYS 41 Ca 0.26 -0.40 -0.06 0.00 -1.00 0.00 0.00 55.97 54.77 2vb5 s LYS 41 Cb 0.02 -0.50 0.05 0.00 -2.06 0.00 0.00 37.83 35.35 2vb5 s LYS 41 CO 0.09 -1.12 0.66 -1.71 0.10 0.00 0.00 175.35 173.36 2vb5 n ASN 42 N 4.74 -1.94 0.00 0.03 5.15 -1.16 -1.70 115.26 120.38 2vb5 n ASN 42 Ca 0.06 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.12 2vb5 n ASN 42 Cb 0.48 -3.36 0.00 0.00 -0.53 0.00 0.00 39.78 36.37 2vb5 n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vb5 n GLY 43 N -1.73 2.73 3.75 8.20 0.00 -1.26 -5.05 105.19 111.83 2vb5 n GLY 43 Ca -0.17 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 1.03 -0.10 1.61 2.02 -0.69 -5.01 118.70 117.56 2vb5 s GLU 44 Ca 0.00 0.43 -0.25 0.00 0.02 0.00 0.00 54.97 55.17 2vb5 s GLU 44 Cb 0.00 -1.81 0.06 0.00 0.10 0.00 0.00 34.13 32.47 2vb5 s GLU 44 CO 0.00 -2.30 0.60 -0.98 0.02 0.00 0.00 175.26 172.60 2vb5 s ARG 45 N -5.15 0.88 -0.19 1.61 1.70 -1.26 -1.01 118.95 115.54 2vb5 s ARG 45 Ca 0.64 0.38 -0.14 0.00 -0.47 0.00 0.00 55.73 56.14 2vb5 s ARG 45 Cb -0.16 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 2vb5 s ARG 45 CO 0.55 -0.23 0.29 0.42 -1.08 0.00 0.00 175.30 175.26 2vb5 s ILE 46 N -0.72 5.29 -0.72 4.99 1.09 -1.26 -5.00 121.20 124.87 2vb5 s ILE 46 Ca -0.08 0.51 -0.04 0.00 -1.10 0.00 0.00 60.65 59.95 2vb5 s ILE 46 Cb -0.02 -3.63 0.14 0.00 -1.06 0.00 0.00 42.46 37.89 2vb5 s ILE 46 CO 0.06 0.34 2.51 1.21 -0.10 0.00 0.00 174.94 178.97 2vb5 n GLU 47 N 3.95 3.08 -2.71 2.79 2.13 -1.26 -4.40 120.64 124.22 2vb5 n GLU 47 Ca -0.12 -2.91 -0.07 0.00 0.66 0.00 0.00 57.16 54.73 2vb5 n GLU 47 Cb 0.52 -2.28 0.08 0.00 0.27 0.00 0.00 31.44 30.03 2vb5 n GLU 47 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2vb5 n LYS 48 N 0.74 0.66 -3.59 5.31 3.00 -1.26 -5.13 118.16 117.89 2vb5 n LYS 48 Ca 0.52 -1.46 -0.37 0.00 -0.00 0.00 0.00 58.31 56.99 2vb5 n LYS 48 Cb 0.42 -0.84 -0.10 0.00 0.00 0.00 0.00 35.03 34.51 2vb5 n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2vb5 s VAL 49 N 0.30 5.32 -0.18 3.15 1.01 -1.26 -4.35 120.40 124.38 2vb5 s VAL 49 Ca 0.24 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 2vb5 s VAL 49 Cb 0.27 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2vb5 s VAL 49 CO -0.13 0.29 0.13 -1.61 0.00 0.00 0.00 175.10 173.77 2vb5 s GLU 50 N 1.44 4.04 -0.24 2.72 8.01 -1.18 -4.94 118.70 128.55 2vb5 s GLU 50 Ca 0.09 -0.22 -0.06 0.00 0.01 0.00 0.00 54.97 54.79 2vb5 s GLU 50 Cb -0.15 -3.36 0.12 0.00 -4.31 0.00 0.00 34.13 26.43 2vb5 s GLU 50 CO 0.08 0.38 0.48 -3.38 0.01 0.00 0.00 175.26 172.83 2vb5 s HIS 51 N 0.11 -1.01 -0.49 1.61 -3.43 -1.26 -0.52 115.29 110.30 2vb5 s HIS 51 Ca 0.09 1.57 0.06 0.00 -0.80 0.00 0.00 55.06 55.98 2vb5 s HIS 51 Cb -0.11 0.38 0.19 0.00 -1.43 0.00 0.00 32.58 31.61 2vb5 s HIS 51 CO -0.01 -0.62 0.66 0.43 -2.00 0.00 0.00 174.74 173.20 2vb5 n SER 52 N 5.40 -2.68 -2.72 7.38 7.64 -1.26 -5.02 113.62 122.36 2vb5 n SER 52 Ca -0.07 -2.83 -0.08 0.00 1.01 0.00 0.00 58.87 56.89 2vb5 n SER 52 Cb 0.50 1.21 0.10 0.00 -1.01 0.00 0.00 64.21 65.01 2vb5 n SER 52 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2vb5 n ASP 53 N 2.75 -2.10 -4.48 6.43 4.64 -1.26 -4.98 116.55 117.55 2vb5 n ASP 53 Ca 0.20 -3.14 -0.43 0.00 -1.38 0.00 0.00 54.79 50.04 2vb5 n ASP 53 Cb 0.55 1.49 0.00 0.00 -1.04 0.00 0.00 41.12 42.12 2vb5 n ASP 53 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2vb5 n LEU 54 N -0.07 5.16 -4.58 -2.67 0.00 -1.26 -3.93 117.00 109.65 2vb5 n LEU 54 Ca 0.02 -4.06 -0.33 0.00 0.00 0.00 0.00 56.01 51.64 2vb5 n LEU 54 Cb 0.77 -1.71 -0.11 0.00 0.00 0.00 0.00 43.42 42.37 2vb5 n LEU 54 CO -0.01 0.36 -0.38 -0.55 0.00 0.00 0.00 177.39 176.80 2vb5 s SER 55 N 3.81 4.62 -0.24 1.96 0.15 -1.25 -4.98 113.70 117.78 2vb5 s SER 55 Ca 0.51 -0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.99 2vb5 s SER 55 Cb 0.03 -1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 63.17 2vb5 s SER 55 CO 0.05 0.33 0.15 -0.36 1.20 0.00 0.00 173.24 174.61 2vb5 s PHE 56 N -0.88 3.29 0.86 3.44 0.08 -1.26 -2.16 117.98 121.34 2vb5 s PHE 56 Ca 0.14 0.17 -0.14 0.00 0.12 0.00 0.00 56.93 57.22 2vb5 s PHE 56 Cb -0.11 -2.26 0.20 0.00 -0.57 0.00 0.00 43.02 40.28 2vb5 s PHE 56 CO 0.04 0.03 0.97 0.43 -0.10 0.00 0.00 175.22 176.59 2vb5 n SER 57 N 4.32 -0.75 -0.27 1.36 7.64 -0.66 -4.82 113.62 120.45 2vb5 n SER 57 Ca -0.15 -1.23 -0.01 0.00 1.01 0.00 0.00 58.87 58.49 2vb5 n SER 57 Cb 0.52 -0.80 0.18 0.00 -1.01 0.00 0.00 64.21 63.10 2vb5 n SER 57 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2vb5 h LYS 58 N 0.00 1.10 -0.63 1.43 2.10 -1.99 -1.32 116.57 117.26 2vb5 h LYS 58 Ca -0.33 -0.09 -0.04 0.00 -2.00 0.00 0.00 60.65 58.19 2vb5 h LYS 58 Cb 0.96 -0.23 -0.03 0.00 -0.90 0.00 0.00 32.23 32.02 2vb5 h LYS 58 CO 0.23 0.77 0.24 -0.44 -2.00 0.00 0.00 179.45 178.24 2vb5 h ASP 59 N 1.12 0.85 0.00 7.07 5.19 -2.03 -3.47 116.42 125.15 2vb5 h ASP 59 Ca 0.29 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2vb5 h ASP 59 Cb -0.05 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.23 2vb5 h ASP 59 CO -0.06 0.78 0.00 0.61 -3.12 0.00 0.00 179.24 177.45 2vb5 n GLY 60 N -0.97 0.77 3.74 2.75 0.00 -0.50 -5.11 105.19 105.87 2vb5 n GLY 60 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2vb5 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vb5 s SER 61 N -2.10 4.43 -0.87 1.61 1.04 -1.26 -4.34 113.70 112.21 2vb5 s SER 61 Ca 0.00 2.14 0.01 0.00 0.48 0.00 0.00 55.95 58.58 2vb5 s SER 61 Cb 0.00 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.85 2vb5 s SER 61 CO 0.00 -2.09 1.25 0.49 0.98 0.00 0.00 173.24 173.87 2vb5 n PHE 62 N -2.86 3.00 -2.50 5.02 3.72 -1.26 -1.65 117.46 120.93 2vb5 n PHE 62 Ca 0.12 -3.23 -0.43 0.00 -0.05 0.00 0.00 57.45 53.85 2vb5 n PHE 62 Cb 0.51 -0.93 -0.02 0.00 -0.94 0.00 0.00 39.48 38.10 2vb5 n PHE 62 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2vb5 s TYR 63 N -3.08 2.86 0.42 1.38 1.13 -0.92 -4.73 117.35 114.41 2vb5 s TYR 63 Ca 0.38 0.99 0.08 0.00 -1.41 0.00 0.00 57.07 57.10 2vb5 s TYR 63 Cb 0.14 -3.81 0.01 0.00 -1.10 0.00 0.00 41.96 37.19 2vb5 s TYR 63 CO -0.00 -1.38 0.55 -0.51 -2.51 0.00 0.00 175.55 171.70 2vb5 s LEU 64 N 4.06 3.62 -0.30 -3.49 1.02 -1.18 -3.85 118.68 118.56 2vb5 s LEU 64 Ca 0.52 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 54.19 2vb5 s LEU 64 Cb -0.15 -2.57 0.10 0.00 0.02 0.00 0.00 46.19 43.58 2vb5 s LEU 64 CO 0.20 -0.76 0.10 -0.22 0.02 0.00 0.00 176.35 175.69 2vb5 s LEU 65 N -4.33 2.00 -0.60 1.79 2.96 -1.26 -2.84 118.68 116.39 2vb5 s LEU 65 Ca 0.54 -1.56 -0.16 0.00 -0.22 0.00 0.00 54.13 52.73 2vb5 s LEU 65 Cb -0.09 -0.80 0.14 0.00 0.50 0.00 0.00 46.19 45.94 2vb5 s LEU 65 CO 0.32 -0.41 0.60 -0.31 -1.32 0.00 0.00 176.35 175.24 2vb5 s TYR 66 N 1.68 3.27 -0.61 5.38 2.02 -1.16 -4.24 117.35 123.69 2vb5 s TYR 66 Ca 0.09 -1.32 -0.03 0.00 -0.37 0.00 0.00 57.07 55.44 2vb5 s TYR 66 Cb -0.17 -3.87 0.16 0.00 -0.40 0.00 0.00 41.96 37.68 2vb5 s TYR 66 CO -0.26 -1.09 0.42 1.52 -1.57 0.00 0.00 175.55 174.57 2vb5 s TYR 67 N 1.66 3.44 0.86 2.71 1.13 0.32 -2.05 117.35 125.42 2vb5 s TYR 67 Ca 0.08 -2.65 -0.12 0.00 -1.41 0.00 0.00 57.07 52.97 2vb5 s TYR 67 Cb -0.25 -3.22 0.11 0.00 -1.10 0.00 0.00 41.96 37.49 2vb5 s TYR 67 CO 0.02 -0.86 1.15 -0.08 -2.51 0.00 0.00 175.55 173.27 2vb5 s THR 68 N 0.09 2.06 -0.56 -3.49 -1.32 -1.26 -3.10 115.64 108.06 2vb5 s THR 68 Ca 0.16 0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 60.59 2vb5 s THR 68 Cb -0.20 -2.88 0.15 0.00 -1.51 0.00 0.00 72.50 68.05 2vb5 s THR 68 CO -0.04 -0.03 0.41 -0.70 -2.21 0.00 0.00 174.62 172.06 2vb5 s GLU 69 N -5.40 2.58 -0.04 7.08 -6.30 -1.26 -1.76 118.70 113.59 2vb5 s GLU 69 Ca 0.63 -2.12 -0.14 0.00 -2.50 0.00 0.00 54.97 50.84 2vb5 s GLU 69 Cb -0.13 -3.88 -0.05 0.00 0.00 0.00 0.00 34.13 30.07 2vb5 s GLU 69 CO 0.51 -1.18 0.37 -0.59 0.02 0.00 0.00 175.26 174.39 2vb5 s PHE 70 N 0.70 3.66 -0.51 5.30 -0.12 -0.55 -4.94 117.98 121.52 2vb5 s PHE 70 Ca 0.11 0.88 -0.18 0.00 -0.05 0.00 0.00 56.93 57.70 2vb5 s PHE 70 Cb -0.22 -2.28 0.07 0.00 -0.63 0.00 0.00 43.02 39.96 2vb5 s PHE 70 CO -0.03 0.56 0.58 0.99 -0.05 0.00 0.00 175.22 177.27 2vb5 s THR 71 N -0.73 4.95 0.06 -4.49 2.01 -1.26 -2.93 115.64 113.24 2vb5 s THR 71 Ca 0.22 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.24 2vb5 s THR 71 Cb -0.16 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.00 2vb5 s THR 71 CO 0.11 -0.79 1.60 -2.16 -0.69 0.00 0.00 174.62 172.69 2vb5 s PRO 72 N 2.41 4.22 0.19 4.92 0.04 -1.26 -4.89 135.00 140.62 2vb5 s PRO 72 Ca 0.12 2.26 0.26 0.00 0.04 0.00 0.00 61.00 63.68 2vb5 s PRO 72 Cb -0.21 -3.58 0.85 0.00 0.04 0.00 0.00 34.50 31.60 2vb5 s PRO 72 CO 0.10 -0.70 1.79 2.41 0.04 0.00 0.00 177.00 180.64 2vb5 n THR 73 N 4.69 0.53 -3.34 1.26 -1.04 -1.26 -4.19 114.28 110.93 2vb5 n THR 73 Ca 0.15 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 61.75 2vb5 n THR 73 Cb 0.41 -0.57 0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2vb5 n THR 73 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2vb5 n GLU 74 N -2.18 -5.70 0.00 -2.82 -0.58 -1.26 -4.76 120.64 103.34 2vb5 n GLU 74 Ca 0.06 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 2vb5 n GLU 74 Cb 0.42 -5.71 0.00 0.00 -0.57 0.00 0.00 31.44 25.58 2vb5 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2vb5 n LYS 75 N -3.87 0.00 -2.76 3.49 4.81 -1.26 -5.11 118.16 113.46 2vb5 n LYS 75 Ca -0.25 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 56.94 2vb5 n LYS 75 Cb 0.66 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.71 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 -1.64 5.98 -0.21 3.14 1.01 -1.26 -5.09 116.67 118.60 2vb5 s ASP 76 Ca 0.00 0.64 -0.06 0.00 0.71 0.00 0.00 52.55 53.84 2vb5 s ASP 76 Cb 0.00 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 2vb5 s ASP 76 CO 0.00 -0.70 0.03 -1.83 0.21 0.00 0.00 175.17 172.88 2vb5 s GLU 77 N -4.70 3.70 -0.15 8.23 -1.05 -1.26 -4.85 118.70 118.61 2vb5 s GLU 77 Ca 0.48 -0.48 -0.07 0.00 -0.15 0.00 0.00 54.97 54.75 2vb5 s GLU 77 Cb -0.10 -3.17 -0.04 0.00 -0.44 0.00 0.00 34.13 30.38 2vb5 s GLU 77 CO 0.42 0.01 0.11 0.71 0.95 0.00 0.00 175.26 177.46 2vb5 s TYR 78 N 1.03 3.44 -0.20 4.83 2.02 -1.26 -3.00 117.35 124.21 2vb5 s TYR 78 Ca 0.03 0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 57.05 2vb5 s TYR 78 Cb -0.14 -2.00 0.10 0.00 -0.40 0.00 0.00 41.96 39.52 2vb5 s TYR 78 CO 0.02 0.50 0.32 0.00 -1.57 0.00 0.00 175.55 174.81 2vb5 s ALA 79 N -0.42 -0.76 -0.02 3.71 0.00 -0.60 -2.37 121.76 121.30 2vb5 s ALA 79 Ca 0.11 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 2vb5 s ALA 79 Cb -0.12 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2vb5 s ALA 79 CO 0.02 -1.07 1.48 0.00 0.00 0.00 0.00 175.76 176.19 2vb5 s ARG 81 N 2.99 3.73 -0.62 0.00 3.52 0.20 -1.76 118.95 127.02 2vb5 s ARG 81 Ca 0.67 -2.71 -0.23 0.00 -0.13 0.00 0.00 55.73 53.32 2vb5 s ARG 81 Cb -0.32 -4.43 0.06 0.00 -1.56 0.00 0.00 34.95 28.70 2vb5 s ARG 81 CO 0.27 -1.27 0.96 0.08 -0.81 0.00 0.00 175.30 174.53 2vb5 s VAL 82 N -0.30 4.33 -0.06 7.11 1.01 -0.66 -2.74 120.40 129.08 2vb5 s VAL 82 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2vb5 s VAL 82 Cb -0.10 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 2vb5 s VAL 82 CO -0.09 -1.33 0.03 0.20 0.00 0.00 0.00 175.10 173.91 2vb5 s ASN 83 N 3.32 5.39 0.11 3.32 -0.87 -0.96 -1.98 114.94 123.26 2vb5 s ASN 83 Ca 0.26 0.15 -0.25 0.00 -1.57 0.00 0.00 52.86 51.45 2vb5 s ASN 83 Cb -0.15 -1.53 0.07 0.00 -0.02 0.00 0.00 41.25 39.62 2vb5 s ASN 83 CO 0.14 0.35 0.62 -2.28 -2.57 0.00 0.00 177.10 173.36 2vb5 s HIS 84 N -0.97 -0.57 0.29 2.20 2.46 -1.26 -1.27 115.29 116.17 2vb5 s HIS 84 Ca 0.16 0.52 -0.01 0.00 0.47 0.00 0.00 55.06 56.20 2vb5 s HIS 84 Cb -0.11 0.52 0.44 0.00 -0.13 0.00 0.00 32.58 33.30 2vb5 s HIS 84 CO 0.05 -0.79 1.86 -0.24 -2.47 0.00 0.00 174.74 173.16 2vb5 h VAL 85 N 2.24 1.22 -0.30 0.89 3.04 -1.94 -2.20 116.25 119.20 2vb5 h VAL 85 Ca -0.32 -0.71 -0.09 0.00 -1.01 0.00 0.00 66.70 64.56 2vb5 h VAL 85 Cb 1.27 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2vb5 h VAL 85 CO 0.38 0.28 -0.21 0.71 -1.01 0.00 0.00 177.57 177.72 2vb5 h THR 86 N 0.83 1.26 -4.01 3.17 1.35 -1.92 -3.44 112.91 110.15 2vb5 h THR 86 Ca 0.19 -1.21 -0.45 0.00 -0.55 0.00 0.00 66.41 64.39 2vb5 h THR 86 Cb 0.21 1.26 0.17 0.00 -1.73 0.00 0.00 68.15 68.05 2vb5 h THR 86 CO -0.01 0.39 0.43 -0.76 -0.25 0.00 0.00 175.52 175.32 2vb5 s LEU 87 N -8.77 2.72 0.00 3.87 1.43 -0.83 -5.05 118.68 112.05 2vb5 s LEU 87 Ca -0.07 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2vb5 s LEU 87 Cb 0.14 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2vb5 s LEU 87 CO 0.80 -2.77 0.00 -1.20 0.23 0.00 0.00 176.35 173.41 2vb5 n SER 88 N -3.79 0.36 -4.89 2.29 7.64 -1.26 -4.77 113.62 109.20 2vb5 n SER 88 Ca 0.15 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.75 2vb5 n SER 88 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 2vb5 n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vb5 s GLN 89 N -1.62 3.66 -0.13 1.43 -2.07 -1.26 -5.02 119.66 114.66 2vb5 s GLN 89 Ca 0.00 0.26 -0.29 0.00 -1.82 0.00 0.00 55.36 53.50 2vb5 s GLN 89 Cb 0.00 -2.45 -0.04 0.00 -1.09 0.00 0.00 33.01 29.43 2vb5 s GLN 89 CO 0.00 -0.03 1.60 -1.25 -1.32 0.00 0.00 175.29 174.29 2vb5 s PRO 90 N -4.07 4.05 -0.67 9.60 0.04 -1.26 -4.78 135.00 137.91 2vb5 s PRO 90 Ca 0.48 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 63.25 2vb5 s PRO 90 Cb -0.10 -3.98 0.08 0.00 0.04 0.00 0.00 34.50 30.54 2vb5 s PRO 90 CO 0.35 -0.99 0.92 0.21 0.04 0.00 0.00 177.00 177.53 2vb5 s LYS 91 N 4.21 3.13 -0.36 4.56 2.36 -0.84 -4.87 119.74 127.93 2vb5 s LYS 91 Ca 0.71 -1.02 -0.29 0.00 -2.55 0.00 0.00 55.97 52.82 2vb5 s LYS 91 Cb -0.29 -4.29 0.02 0.00 -1.05 0.00 0.00 37.83 32.21 2vb5 s LYS 91 CO 0.27 -1.75 1.18 0.42 1.55 0.00 0.00 175.35 177.02 2vb5 s ILE 92 N 3.65 4.28 0.38 5.43 -1.09 -1.26 -1.65 121.20 130.94 2vb5 s ILE 92 Ca 0.21 1.42 -0.14 0.00 -2.23 0.00 0.00 60.65 59.91 2vb5 s ILE 92 Cb -0.18 -4.38 -0.08 0.00 -1.58 0.00 0.00 42.46 36.25 2vb5 s ILE 92 CO 0.08 -0.63 0.79 -0.69 -1.23 0.00 0.00 174.94 173.26 2vb5 s VAL 93 N 4.19 4.68 -0.35 2.92 1.01 -0.72 -5.01 120.40 127.12 2vb5 s VAL 93 Ca 0.50 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 2vb5 s VAL 93 Cb -0.12 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2vb5 s VAL 93 CO 0.23 -0.38 0.19 -0.54 0.00 0.00 0.00 175.10 174.60 2vb5 s LYS 94 N -3.45 3.04 -0.29 2.72 1.02 -1.26 -3.92 119.74 117.60 2vb5 s LYS 94 Ca 0.54 -0.93 -0.34 0.00 0.02 0.00 0.00 55.97 55.26 2vb5 s LYS 94 Cb -0.10 -3.68 -0.10 0.00 -0.52 0.00 0.00 37.83 33.43 2vb5 s LYS 94 CO 0.24 -0.59 2.15 1.87 -0.92 0.00 0.00 175.35 178.11 2vb5 n TRP 95 N 5.00 1.77 -3.09 3.18 -0.00 -1.00 -4.94 117.44 118.36 2vb5 n TRP 95 Ca -0.13 0.16 -0.39 0.00 -0.00 0.00 0.00 57.50 57.14 2vb5 n TRP 95 Cb 0.47 -2.59 -0.05 0.00 -0.00 0.00 0.00 31.31 29.14 2vb5 n TRP 95 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2vb5 s ASP 96 N 7.13 6.97 -0.03 5.87 1.01 -1.22 -4.93 116.67 131.46 2vb5 s ASP 96 Ca 1.06 1.16 -0.07 0.00 0.71 0.00 0.00 52.55 55.40 2vb5 s ASP 96 Cb -0.72 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 40.77 2vb5 s ASP 96 CO 0.47 -0.06 0.43 -0.09 0.21 0.00 0.00 175.17 176.12 2vb5 h ARG 97 N 6.52 -0.26 0.00 8.23 9.65 -1.92 -3.40 114.38 133.21 2vb5 h ARG 97 Ca -0.42 0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.34 2vb5 h ARG 97 Cb 1.20 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 2vb5 h ARG 97 CO 0.74 -0.17 -1.30 -3.47 2.80 0.00 0.00 179.97 178.57 2vb5 n ASP 98 N -3.87 1.62 0.00 -3.80 -0.08 -1.26 -4.71 116.55 104.44 2vb5 n ASP 98 Ca -0.03 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2vb5 n ASP 98 Cb 0.10 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 42.94 2vb5 n ASP 98 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12