#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 3.05 -1.20 1.12 2.07 -1.26 -5.05 121.20 119.94 2vb5 s ILE 1 Ca 0.00 -2.82 -0.13 0.00 -1.41 0.00 0.00 60.65 56.29 2vb5 s ILE 1 Cb 0.00 -3.08 0.18 0.00 0.13 0.00 0.00 42.46 39.70 2vb5 s ILE 1 CO 0.00 -0.78 1.40 -1.58 -1.91 0.00 0.00 174.94 172.07 2vb5 s GLN 2 N 0.23 4.11 0.24 3.50 2.00 -1.26 -4.87 119.66 123.61 2vb5 s GLN 2 Ca 0.14 -2.68 -0.29 0.00 -2.00 0.00 0.00 55.36 50.54 2vb5 s GLN 2 Cb -0.22 -5.00 -0.09 0.00 0.80 0.00 0.00 33.01 28.49 2vb5 s GLN 2 CO -0.03 -1.70 0.92 1.03 -0.50 0.00 0.00 175.29 175.01 2vb5 s ARG 3 N 1.21 4.78 0.30 1.67 0.52 -1.26 -4.96 118.95 121.21 2vb5 s ARG 3 Ca 0.41 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 57.05 2vb5 s ARG 3 Cb -0.04 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 2vb5 s ARG 3 CO -0.01 0.49 0.50 0.95 0.02 0.00 0.00 175.30 177.25 2vb5 s THR 4 N -1.25 5.13 0.19 0.02 -4.23 -1.25 -1.19 115.64 113.06 2vb5 s THR 4 Ca 0.42 -0.43 -0.31 0.00 -1.18 0.00 0.00 61.69 60.19 2vb5 s THR 4 Cb -0.24 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 69.67 2vb5 s THR 4 CO 0.30 -0.44 1.58 -2.16 -0.54 0.00 0.00 174.62 173.36 2vb5 s PRO 5 N -4.01 4.20 0.01 3.99 0.04 -1.26 -4.01 135.00 133.96 2vb5 s PRO 5 Ca 0.40 2.40 -0.20 0.00 0.04 0.00 0.00 61.00 63.64 2vb5 s PRO 5 Cb -0.10 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 2vb5 s PRO 5 CO 0.33 -0.61 0.58 0.15 0.04 0.00 0.00 177.00 177.50 2vb5 s LYS 6 N 0.85 4.29 -0.33 4.56 1.02 -0.59 -4.94 119.74 124.60 2vb5 s LYS 6 Ca 0.69 0.72 -0.19 0.00 0.02 0.00 0.00 55.97 57.21 2vb5 s LYS 6 Cb -0.45 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 2vb5 s LYS 6 CO 0.34 0.42 0.54 0.42 -0.92 0.00 0.00 175.35 176.15 2vb5 s ILE 7 N -0.36 5.00 -0.42 2.17 1.01 -1.26 -3.52 121.20 123.82 2vb5 s ILE 7 Ca 0.30 0.52 0.06 0.00 0.00 0.00 0.00 60.65 61.53 2vb5 s ILE 7 Cb -0.18 -3.96 0.20 0.00 0.01 0.00 0.00 42.46 38.53 2vb5 s ILE 7 CO 0.17 -0.17 0.48 0.00 0.00 0.00 0.00 174.94 175.43 2vb5 n GLN 8 N 5.76 0.42 -3.54 2.79 6.02 -1.26 -5.07 117.38 122.50 2vb5 n GLN 8 Ca -0.04 -2.93 -0.41 0.00 -0.01 0.00 0.00 57.00 53.61 2vb5 n GLN 8 Cb 0.49 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.18 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 -0.15 4.43 0.38 5.09 1.01 -1.26 -1.90 120.40 128.01 2vb5 s VAL 9 Ca 0.33 -2.33 0.07 0.00 0.00 0.00 0.00 61.98 60.05 2vb5 s VAL 9 Cb 0.09 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 2vb5 s VAL 9 CO -0.16 -0.87 0.00 -0.72 0.00 0.00 0.00 175.10 173.35 2vb5 s TYR 10 N 0.61 2.39 -0.24 5.22 1.13 -1.04 -4.21 117.35 121.21 2vb5 s TYR 10 Ca 0.12 -0.70 -0.18 0.00 -1.41 0.00 0.00 57.07 54.91 2vb5 s TYR 10 Cb -0.20 -1.62 -0.03 0.00 -1.10 0.00 0.00 41.96 39.01 2vb5 s TYR 10 CO -0.04 0.39 0.51 -1.12 -2.51 0.00 0.00 175.55 172.78 2vb5 s SER 11 N -3.65 6.46 -0.00 -0.18 0.01 -1.26 -1.21 113.70 113.86 2vb5 s SER 11 Ca 0.35 0.55 -0.08 0.00 1.31 0.00 0.00 55.95 58.08 2vb5 s SER 11 Cb 0.09 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2vb5 s SER 11 CO 0.17 -0.25 0.67 -0.09 0.41 0.00 0.00 173.24 174.15 2vb5 h ARG 12 N 7.86 -0.28 -6.57 12.44 9.65 -1.80 -3.46 114.38 132.23 2vb5 h ARG 12 Ca -0.30 0.02 -0.52 0.00 -1.10 0.00 0.00 59.98 58.08 2vb5 h ARG 12 Cb 1.14 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 2vb5 h ARG 12 CO 0.72 -0.18 -0.03 -1.01 2.80 0.00 0.00 179.97 182.26 2vb5 s HIS 13 N -2.82 3.42 -0.29 2.20 3.76 -1.26 -5.00 115.29 115.31 2vb5 s HIS 13 Ca -0.04 0.96 -0.29 0.00 -0.15 0.00 0.00 55.06 55.55 2vb5 s HIS 13 Cb 0.00 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.33 2vb5 s HIS 13 CO 0.13 0.17 1.75 -1.25 -0.85 0.00 0.00 174.74 174.68 2vb5 s PRO 14 N -3.05 3.50 -1.34 8.40 0.04 -1.26 -4.77 135.00 136.51 2vb5 s PRO 14 Ca 0.49 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 2vb5 s PRO 14 Cb -0.11 -4.15 0.11 0.00 0.04 0.00 0.00 34.50 30.39 2vb5 s PRO 14 CO 0.22 -1.66 1.91 0.00 0.04 0.00 0.00 177.00 177.51 2vb5 n ALA 15 N 9.65 4.92 -1.41 8.56 0.00 -1.26 -4.83 120.51 136.13 2vb5 n ALA 15 Ca 0.22 -4.08 -0.25 0.00 0.00 0.00 0.00 53.44 49.33 2vb5 n ALA 15 Cb 0.46 -3.28 -0.08 0.00 0.00 0.00 0.00 19.45 16.55 2vb5 n ALA 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2vb5 n GLU 16 N 5.61 2.35 -2.28 0.00 4.07 -1.26 -4.85 120.64 124.29 2vb5 n GLU 16 Ca 0.45 -2.13 -0.01 0.00 -0.06 0.00 0.00 57.16 55.41 2vb5 n GLU 16 Cb 0.40 -2.13 -0.01 0.00 -0.06 0.00 0.00 31.44 29.64 2vb5 n GLU 16 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2vb5 n ASN 17 N 1.16 -7.19 0.00 4.31 5.15 -1.26 -4.99 115.26 112.44 2vb5 n ASN 17 Ca 0.48 1.60 0.00 0.00 -0.60 0.00 0.00 54.58 56.06 2vb5 n ASN 17 Cb 0.61 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 2vb5 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vb5 n GLY 18 N 1.64 -3.30 0.67 8.20 0.00 0.27 -4.99 105.19 107.69 2vb5 n GLY 18 Ca -0.08 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.13 2vb5 n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vb5 n LYS 19 N -0.41 -1.67 -2.21 1.61 4.81 -1.26 -4.47 118.16 114.55 2vb5 n LYS 19 Ca 0.00 1.33 -0.42 0.00 -0.87 0.00 0.00 58.31 58.35 2vb5 n LYS 19 Cb 0.00 -1.76 -0.03 0.00 0.02 0.00 0.00 35.03 33.26 2vb5 n LYS 19 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2vb5 s SER 20 N -4.70 6.88 0.01 3.14 1.04 -1.26 -4.18 113.70 114.62 2vb5 s SER 20 Ca 0.00 2.36 -0.05 0.00 0.48 0.00 0.00 55.95 58.74 2vb5 s SER 20 Cb 0.00 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 2vb5 s SER 20 CO 0.00 -0.57 0.10 0.20 0.98 0.00 0.00 173.24 173.95 2vb5 s ASN 21 N 0.61 0.08 -0.22 7.02 -0.87 -0.51 -4.97 114.94 116.08 2vb5 s ASN 21 Ca 0.59 -0.27 -0.08 0.00 -1.57 0.00 0.00 52.86 51.53 2vb5 s ASN 21 Cb -0.36 0.18 -0.04 0.00 -0.02 0.00 0.00 41.25 41.01 2vb5 s ASN 21 CO 0.35 -0.35 0.09 -0.36 -2.57 0.00 0.00 177.10 174.27 2vb5 s PHE 22 N -1.37 3.22 -0.58 2.20 0.40 -1.26 -0.20 117.98 120.38 2vb5 s PHE 22 Ca -0.15 -0.02 -0.23 0.00 -0.60 0.00 0.00 56.93 55.94 2vb5 s PHE 22 Cb -0.08 -2.18 0.05 0.00 0.51 0.00 0.00 43.02 41.32 2vb5 s PHE 22 CO 0.01 -0.02 0.90 -1.17 0.70 0.00 0.00 175.22 175.64 2vb5 s LEU 23 N 0.94 4.34 -1.10 -0.37 2.96 -0.72 -1.97 118.68 122.76 2vb5 s LEU 23 Ca 0.05 -0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 53.15 2vb5 s LEU 23 Cb -0.14 -2.63 0.18 0.00 0.50 0.00 0.00 46.19 44.10 2vb5 s LEU 23 CO 0.03 -1.25 1.27 0.20 -1.32 0.00 0.00 176.35 175.29 2vb5 s ASN 24 N 3.11 6.97 -1.02 3.68 -0.87 -0.35 -3.76 114.94 122.70 2vb5 s ASN 24 Ca 0.25 -2.81 -0.22 0.00 -1.57 0.00 0.00 52.86 48.51 2vb5 s ASN 24 Cb -0.15 -2.36 0.07 0.00 -0.02 0.00 0.00 41.25 38.78 2vb5 s ASN 24 CO 0.15 -0.76 1.40 0.00 -2.57 0.00 0.00 177.10 175.32 2vb5 s TYR 26 N 4.43 3.53 -0.54 0.00 6.14 -0.80 -1.48 117.35 128.64 2vb5 s TYR 26 Ca 0.44 -1.91 -0.19 0.00 0.64 0.00 0.00 57.07 56.05 2vb5 s TYR 26 Cb -0.01 -4.13 0.08 0.00 0.42 0.00 0.00 41.96 38.33 2vb5 s TYR 26 CO -0.09 -1.28 0.63 0.08 0.64 0.00 0.00 175.55 175.53 2vb5 s VAL 27 N 1.27 4.90 0.01 3.14 1.01 -1.08 -4.16 120.40 125.49 2vb5 s VAL 27 Ca 0.32 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2vb5 s VAL 27 Cb -0.06 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2vb5 s VAL 27 CO -0.07 -0.91 -0.03 -0.94 0.00 0.00 0.00 175.10 173.15 2vb5 s SER 28 N 3.09 4.89 -0.54 3.32 1.04 -1.23 -3.06 113.70 121.21 2vb5 s SER 28 Ca 0.12 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 2vb5 s SER 28 Cb -0.22 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.69 2vb5 s SER 28 CO 0.09 0.27 0.32 0.61 0.98 0.00 0.00 173.24 175.51 2vb5 n GLY 29 N 1.40 0.32 3.59 7.32 0.00 -1.26 -1.54 105.19 115.02 2vb5 n GLY 29 Ca -0.15 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.92 3.20 -0.04 1.61 -0.71 -1.26 -3.95 117.98 113.91 2vb5 s PHE 30 Ca 0.16 0.57 -0.03 0.00 -1.04 0.00 0.00 56.93 56.59 2vb5 s PHE 30 Cb -0.07 -3.06 -0.04 0.00 -1.21 0.00 0.00 43.02 38.65 2vb5 s PHE 30 CO 0.20 -0.52 0.12 -1.01 -1.34 0.00 0.00 175.22 172.67 2vb5 s HIS 31 N 2.68 3.44 -0.07 3.49 3.76 -0.33 -3.80 115.29 124.47 2vb5 s HIS 31 Ca 0.26 0.33 -0.27 0.00 -0.15 0.00 0.00 55.06 55.24 2vb5 s HIS 31 Cb -0.15 -1.82 -0.23 0.00 1.11 0.00 0.00 32.58 31.50 2vb5 s HIS 31 CO 0.13 0.62 1.06 -1.00 -0.85 0.00 0.00 174.74 174.70 2vb5 h PRO 32 N 4.28 0.01 0.00 8.40 0.13 -1.91 -3.40 132.00 139.52 2vb5 h PRO 32 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2vb5 h PRO 32 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2vb5 h PRO 32 CO 0.63 0.71 0.00 -1.13 -0.23 0.00 0.00 178.00 177.98 2vb5 n SER 33 N -4.74 0.00 -3.72 1.44 3.41 -1.25 -4.94 113.62 103.83 2vb5 n SER 33 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 2vb5 n SER 33 Cb 0.35 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 4.55 -4.90 4.04 8.00 -1.26 -4.94 116.55 122.05 2vb5 n ASP 34 Ca 0.00 -2.87 -0.26 0.00 0.71 0.00 0.00 54.79 52.36 2vb5 n ASP 34 Cb 0.00 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 39.45 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 2.52 5.06 -0.37 0.53 2.07 -1.26 -2.41 121.20 127.34 2vb5 s ILE 35 Ca 0.48 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 2vb5 s ILE 35 Cb 0.14 -3.60 0.15 0.00 0.13 0.00 0.00 42.46 39.28 2vb5 s ILE 35 CO -0.07 -0.10 0.26 -1.61 -1.91 0.00 0.00 174.94 171.51 2vb5 s GLU 36 N -3.19 0.68 -1.24 3.50 0.41 -0.22 -4.97 118.70 113.67 2vb5 s GLU 36 Ca 0.33 -1.61 -0.17 0.00 -0.41 0.00 0.00 54.97 53.11 2vb5 s GLU 36 Cb -0.11 -1.35 0.11 0.00 -1.78 0.00 0.00 34.13 31.00 2vb5 s GLU 36 CO 0.27 -1.27 1.59 0.08 -0.49 0.00 0.00 175.26 175.44 2vb5 s VAL 37 N 0.70 4.47 -1.07 2.63 1.01 -1.26 -2.00 120.40 124.88 2vb5 s VAL 37 Ca 0.23 -2.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.03 2vb5 s VAL 37 Cb -0.13 -5.07 0.00 0.00 0.00 0.00 0.00 36.38 31.18 2vb5 s VAL 37 CO -0.07 -1.86 2.77 -0.67 0.00 0.00 0.00 175.10 175.28 2vb5 n ASP 38 N 7.35 7.59 -4.75 3.32 2.03 -0.65 -4.86 116.55 126.58 2vb5 n ASP 38 Ca 0.43 -2.92 -0.36 0.00 0.52 0.00 0.00 54.79 52.46 2vb5 n ASP 38 Cb 0.45 -1.40 0.04 0.00 -0.72 0.00 0.00 41.12 39.49 2vb5 n ASP 38 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2vb5 s LEU 39 N -1.26 3.67 0.33 -2.67 2.34 -1.26 -4.22 118.68 115.61 2vb5 s LEU 39 Ca 0.61 2.44 0.05 0.00 0.06 0.00 0.00 54.13 57.29 2vb5 s LEU 39 Cb 0.24 -4.58 -0.07 0.00 -0.56 0.00 0.00 46.19 41.22 2vb5 s LEU 39 CO -0.10 -1.64 0.02 -0.76 -1.06 0.00 0.00 176.35 172.82 2vb5 s LEU 40 N -4.06 2.38 -0.30 1.48 1.43 -0.45 -3.08 118.68 116.08 2vb5 s LEU 40 Ca 0.78 -1.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2vb5 s LEU 40 Cb -0.32 -0.54 0.11 0.00 0.03 0.00 0.00 46.19 45.47 2vb5 s LEU 40 CO 0.35 -0.52 0.15 -1.59 0.23 0.00 0.00 176.35 174.97 2vb5 s LYS 41 N -3.82 0.26 -1.29 1.70 -2.85 -0.21 -3.51 119.74 110.01 2vb5 s LYS 41 Ca 0.35 -0.65 -0.00 0.00 -1.00 0.00 0.00 55.97 54.66 2vb5 s LYS 41 Cb 0.08 -1.16 -0.00 0.00 -2.06 0.00 0.00 37.83 34.68 2vb5 s LYS 41 CO 0.15 -1.05 0.73 -1.71 0.10 0.00 0.00 175.35 173.57 2vb5 n ASN 42 N 5.04 -1.32 0.00 0.03 2.85 -0.35 -2.22 115.26 119.29 2vb5 n ASN 42 Ca -0.03 -0.80 0.00 0.00 -0.11 0.00 0.00 54.58 53.64 2vb5 n ASN 42 Cb 0.41 -4.16 0.00 0.00 1.24 0.00 0.00 39.78 37.28 2vb5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2vb5 n GLY 43 N -1.53 2.32 3.68 8.20 0.00 -1.26 -4.96 105.19 111.64 2vb5 n GLY 43 Ca -0.30 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 4.35 0.43 1.61 0.41 -0.94 -4.94 118.70 119.61 2vb5 s GLU 44 Ca 0.00 1.63 -0.24 0.00 -0.41 0.00 0.00 54.97 55.95 2vb5 s GLU 44 Cb 0.00 -3.58 -0.08 0.00 -1.78 0.00 0.00 34.13 28.69 2vb5 s GLU 44 CO 0.00 -0.46 1.21 0.50 -0.49 0.00 0.00 175.26 176.02 2vb5 s ARG 45 N 2.34 3.88 -0.50 1.61 3.52 -1.26 -1.04 118.95 127.50 2vb5 s ARG 45 Ca 0.55 1.92 -0.17 0.00 -0.13 0.00 0.00 55.73 57.90 2vb5 s ARG 45 Cb -0.23 -2.58 0.08 0.00 -1.56 0.00 0.00 34.95 30.65 2vb5 s ARG 45 CO 0.20 -0.49 0.48 0.42 -0.81 0.00 0.00 175.30 175.10 2vb5 s ILE 46 N -1.41 5.12 -0.22 4.11 1.01 -1.18 -4.91 121.20 123.73 2vb5 s ILE 46 Ca 0.60 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 2vb5 s ILE 46 Cb -0.32 -4.21 0.16 0.00 0.01 0.00 0.00 42.46 38.09 2vb5 s ILE 46 CO 0.40 -0.70 1.94 -0.62 0.00 0.00 0.00 174.94 175.97 2vb5 n GLU 47 N 5.52 1.55 -2.81 2.79 4.71 -1.26 -4.19 120.64 126.95 2vb5 n GLU 47 Ca -0.11 -1.09 -0.08 0.00 -0.01 0.00 0.00 57.16 55.87 2vb5 n GLU 47 Cb 0.44 -1.43 0.02 0.00 -1.01 0.00 0.00 31.44 29.46 2vb5 n GLU 47 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2vb5 n LYS 48 N 0.62 0.65 -3.27 3.49 0.00 -1.26 -5.14 118.16 113.25 2vb5 n LYS 48 Ca 0.21 -2.01 -0.38 0.00 0.00 0.00 0.00 58.31 56.13 2vb5 n LYS 48 Cb 0.59 -1.47 -0.06 0.00 0.00 0.00 0.00 35.03 34.09 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 0.64 5.16 0.02 3.15 1.01 -1.26 -4.89 120.40 124.24 2vb5 s VAL 49 Ca 0.31 1.02 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 2vb5 s VAL 49 Cb 0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2vb5 s VAL 49 CO -0.16 0.30 0.15 -1.61 0.00 0.00 0.00 175.10 173.78 2vb5 s GLU 50 N 0.75 3.25 -0.04 2.72 2.02 -1.26 -5.06 118.70 121.08 2vb5 s GLU 50 Ca 0.27 -0.46 -0.16 0.00 0.02 0.00 0.00 54.97 54.65 2vb5 s GLU 50 Cb -0.15 -2.96 0.03 0.00 0.10 0.00 0.00 34.13 31.15 2vb5 s GLU 50 CO 0.11 0.63 0.36 -3.38 0.02 0.00 0.00 175.26 173.00 2vb5 s HIS 51 N -1.35 -0.27 -0.13 1.61 -3.43 -1.26 -3.32 115.29 107.15 2vb5 s HIS 51 Ca 0.28 0.50 0.01 0.00 -0.80 0.00 0.00 55.06 55.05 2vb5 s HIS 51 Cb -0.12 0.14 0.15 0.00 -1.43 0.00 0.00 32.58 31.31 2vb5 s HIS 51 CO 0.20 -0.37 1.48 0.45 -2.00 0.00 0.00 174.74 174.50 2vb5 n SER 52 N 1.56 4.09 -4.05 7.38 2.88 -1.16 -4.85 113.62 119.46 2vb5 n SER 52 Ca -0.20 -2.51 -0.31 0.00 -1.33 0.00 0.00 58.87 54.52 2vb5 n SER 52 Cb 0.56 -0.75 -0.01 0.00 -0.75 0.00 0.00 64.21 63.26 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 0.36 -2.85 -3.08 -3.46 -0.08 -1.26 -3.57 116.55 102.61 2vb5 n ASP 53 Ca 0.15 -0.94 -0.14 0.00 -1.51 0.00 0.00 54.79 52.35 2vb5 n ASP 53 Cb 0.71 -3.19 0.01 0.00 2.34 0.00 0.00 41.12 41.00 2vb5 n ASP 53 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2vb5 n LEU 54 N -4.46 -5.54 -4.60 -2.67 7.94 -1.26 -4.91 117.00 101.49 2vb5 n LEU 54 Ca -0.05 0.49 -0.42 0.00 -1.11 0.00 0.00 56.01 54.92 2vb5 n LEU 54 Cb 0.56 -2.52 -0.05 0.00 0.53 0.00 0.00 43.42 41.94 2vb5 n LEU 54 CO 0.80 -1.67 0.57 -0.44 -1.11 0.00 0.00 177.39 175.54 2vb5 s SER 55 N -1.77 6.62 -0.08 1.96 0.01 -1.08 -4.96 113.70 114.41 2vb5 s SER 55 Ca 0.19 0.55 -0.24 0.00 1.31 0.00 0.00 55.95 57.76 2vb5 s SER 55 Cb -0.03 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2vb5 s SER 55 CO 0.66 -0.64 0.75 -0.36 0.41 0.00 0.00 173.24 174.06 2vb5 s PHE 56 N 2.97 3.56 0.53 2.43 0.08 -1.26 -2.21 117.98 124.07 2vb5 s PHE 56 Ca 0.31 1.29 -0.11 0.00 0.12 0.00 0.00 56.93 58.54 2vb5 s PHE 56 Cb -0.14 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 2vb5 s PHE 56 CO 0.14 0.02 0.92 0.45 -0.10 0.00 0.00 175.22 176.65 2vb5 s SER 57 N 0.89 6.37 0.34 1.36 0.15 -0.88 -4.98 113.70 116.95 2vb5 s SER 57 Ca 0.39 1.29 0.08 0.00 0.70 0.00 0.00 55.95 58.40 2vb5 s SER 57 Cb -0.18 -2.40 0.78 0.00 -1.71 0.00 0.00 66.02 62.52 2vb5 s SER 57 CO 0.18 -0.66 1.85 0.07 1.20 0.00 0.00 173.24 175.89 2vb5 h LYS 58 N 0.34 0.71 -0.03 5.44 2.10 -1.97 -2.69 116.57 120.47 2vb5 h LYS 58 Ca -0.46 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2vb5 h LYS 58 Cb 1.19 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2vb5 h LYS 58 CO 0.62 0.47 -0.03 -0.44 -2.00 0.00 0.00 179.45 178.07 2vb5 h ASP 59 N 0.73 0.08 0.00 7.07 5.19 -2.03 -3.48 116.42 123.98 2vb5 h ASP 59 Ca 0.47 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2vb5 h ASP 59 Cb 0.73 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2vb5 h ASP 59 CO -0.23 0.54 0.00 0.61 -3.12 0.00 0.00 179.24 177.04 2vb5 n GLY 60 N 0.21 0.98 3.66 2.75 0.00 -1.01 -5.13 105.19 106.64 2vb5 n GLY 60 Ca -0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.47 2vb5 n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vb5 n SER 61 N 0.00 2.85 -3.93 1.61 3.41 -1.26 -4.57 113.62 111.73 2vb5 n SER 61 Ca 0.00 1.08 -0.43 0.00 -0.26 0.00 0.00 58.87 59.26 2vb5 n SER 61 Cb 0.00 -1.37 0.01 0.00 -0.26 0.00 0.00 64.21 62.58 2vb5 n SER 61 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vb5 n PHE 62 N 3.57 2.47 -3.20 7.33 3.72 -1.26 -2.07 117.46 128.02 2vb5 n PHE 62 Ca 0.18 -2.64 -0.39 0.00 -0.05 0.00 0.00 57.45 54.55 2vb5 n PHE 62 Cb 0.27 -1.49 -0.06 0.00 -0.94 0.00 0.00 39.48 37.26 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 -1.75 3.50 0.44 1.38 1.13 -0.94 -4.36 117.35 116.74 2vb5 s TYR 63 Ca 0.34 0.98 0.07 0.00 -1.41 0.00 0.00 57.07 57.05 2vb5 s TYR 63 Cb 0.07 -2.67 -0.03 0.00 -1.10 0.00 0.00 41.96 38.23 2vb5 s TYR 63 CO 0.06 0.07 0.24 -0.51 -2.51 0.00 0.00 175.55 172.91 2vb5 s LEU 64 N 0.97 3.05 -0.14 -3.49 1.02 -1.17 -2.62 118.68 116.30 2vb5 s LEU 64 Ca 0.29 -1.08 0.01 0.00 0.02 0.00 0.00 54.13 53.38 2vb5 s LEU 64 Cb -0.16 -1.47 0.02 0.00 0.02 0.00 0.00 46.19 44.60 2vb5 s LEU 64 CO 0.12 -0.67 -0.17 -0.22 0.02 0.00 0.00 176.35 175.43 2vb5 s LEU 65 N -4.01 1.86 -0.60 1.79 2.96 -1.26 -2.65 118.68 116.77 2vb5 s LEU 65 Ca 0.39 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 2vb5 s LEU 65 Cb 0.02 -1.26 0.16 0.00 0.50 0.00 0.00 46.19 45.60 2vb5 s LEU 65 CO 0.22 0.00 0.45 -0.31 -1.32 0.00 0.00 176.35 175.40 2vb5 s TYR 66 N 1.18 3.50 -0.67 5.38 2.02 -0.55 -3.01 117.35 125.20 2vb5 s TYR 66 Ca -0.01 -2.36 -0.01 0.00 -0.37 0.00 0.00 57.07 54.33 2vb5 s TYR 66 Cb -0.14 -3.39 0.17 0.00 -0.40 0.00 0.00 41.96 38.20 2vb5 s TYR 66 CO -0.07 -0.92 0.49 1.52 -1.57 0.00 0.00 175.55 175.00 2vb5 s TYR 67 N 0.43 3.48 0.26 2.71 -0.85 -1.21 -2.93 117.35 119.24 2vb5 s TYR 67 Ca 0.14 -2.93 -0.17 0.00 -0.52 0.00 0.00 57.07 53.59 2vb5 s TYR 67 Cb -0.20 -3.09 -0.08 0.00 0.38 0.00 0.00 41.96 38.96 2vb5 s TYR 67 CO -0.04 -0.77 0.71 -0.08 -1.52 0.00 0.00 175.55 173.85 2vb5 s THR 68 N -0.53 4.65 -0.68 -3.49 -1.32 -1.25 -4.58 115.64 108.44 2vb5 s THR 68 Ca 0.20 1.08 -0.23 0.00 -1.21 0.00 0.00 61.69 61.53 2vb5 s THR 68 Cb -0.17 -3.73 0.07 0.00 -1.51 0.00 0.00 72.50 67.16 2vb5 s THR 68 CO -0.06 0.03 1.01 -0.70 -2.21 0.00 0.00 174.62 172.68 2vb5 s GLU 69 N -2.45 3.15 -0.12 7.08 2.12 -1.26 -1.75 118.70 125.46 2vb5 s GLU 69 Ca 0.48 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.89 2vb5 s GLU 69 Cb -0.13 -4.27 -0.04 0.00 0.26 0.00 0.00 34.13 29.94 2vb5 s GLU 69 CO 0.19 -1.85 0.19 -0.59 -0.54 0.00 0.00 175.26 172.66 2vb5 s PHE 70 N 4.16 3.57 -0.44 5.30 -0.71 0.72 -4.87 117.98 125.72 2vb5 s PHE 70 Ca 0.24 0.56 -0.06 0.00 -1.04 0.00 0.00 56.93 56.64 2vb5 s PHE 70 Cb -0.15 -2.07 0.11 0.00 -1.21 0.00 0.00 43.02 39.71 2vb5 s PHE 70 CO 0.09 0.60 0.27 0.99 -1.34 0.00 0.00 175.22 175.83 2vb5 s THR 71 N -0.64 3.68 -1.31 -4.49 2.01 -1.26 -1.42 115.64 112.21 2vb5 s THR 71 Ca 0.15 -1.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.03 2vb5 s THR 71 Cb -0.13 -3.48 0.08 0.00 0.01 0.00 0.00 72.50 68.99 2vb5 s THR 71 CO 0.04 -0.73 1.76 -0.81 -0.69 0.00 0.00 174.62 174.19 2vb5 n PRO 72 N 4.72 3.19 0.22 4.92 -0.04 -1.26 -4.85 135.00 141.90 2vb5 n PRO 72 Ca -0.05 -3.28 -0.18 0.00 -0.04 0.00 0.00 63.50 59.96 2vb5 n PRO 72 Cb 0.41 -3.41 -0.10 0.00 -0.04 0.00 0.00 33.50 30.36 2vb5 n PRO 72 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2vb5 h THR 73 N 5.24 0.00 0.00 0.52 2.02 -1.90 0.79 112.91 119.58 2vb5 h THR 73 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 2vb5 h THR 73 Cb 0.84 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2vb5 h THR 73 CO 1.49 0.00 0.00 1.21 0.37 0.00 0.00 175.52 178.59 2vb5 n GLU 74 N -5.54 0.00 -0.06 6.66 4.07 -1.26 -4.19 120.64 120.32 2vb5 n GLU 74 Ca -0.11 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.10 2vb5 n GLU 74 Cb 0.45 0.00 0.43 0.00 -0.06 0.00 0.00 31.44 32.25 2vb5 n GLU 74 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2vb5 n LYS 75 N -2.53 1.64 -2.14 5.31 4.76 -1.26 -4.90 118.16 119.05 2vb5 n LYS 75 Ca 0.00 -0.96 -0.43 0.00 -2.87 0.00 0.00 58.31 54.05 2vb5 n LYS 75 Cb 0.00 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 31.76 2vb5 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2vb5 s ASP 76 N -1.65 6.48 -0.32 4.39 -0.00 -1.26 -4.98 116.67 119.33 2vb5 s ASP 76 Ca 0.33 1.70 -0.06 0.00 -0.00 0.00 0.00 52.55 54.52 2vb5 s ASP 76 Cb 0.18 -2.53 0.03 0.00 -0.00 0.00 0.00 42.92 40.59 2vb5 s ASP 76 CO 0.27 -1.16 0.07 -1.83 -0.00 0.00 0.00 175.17 172.53 2vb5 s GLU 77 N 4.46 2.75 0.12 8.23 -1.05 -1.26 -4.86 118.70 127.08 2vb5 s GLU 77 Ca 0.70 -1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 54.31 2vb5 s GLU 77 Cb -0.25 -3.37 -0.06 0.00 -0.44 0.00 0.00 34.13 30.00 2vb5 s GLU 77 CO 0.28 -0.58 0.49 0.71 0.95 0.00 0.00 175.26 177.11 2vb5 s TYR 78 N 1.41 3.60 -0.24 4.83 2.02 -1.26 -1.21 117.35 126.50 2vb5 s TYR 78 Ca -0.01 0.96 -0.08 0.00 -0.37 0.00 0.00 57.07 57.57 2vb5 s TYR 78 Cb -0.19 -2.29 0.11 0.00 -0.40 0.00 0.00 41.96 39.19 2vb5 s TYR 78 CO 0.02 0.47 0.51 0.00 -1.57 0.00 0.00 175.55 174.97 2vb5 s ALA 79 N -1.43 -1.49 -0.22 3.71 0.00 -1.23 -3.10 121.76 118.00 2vb5 s ALA 79 Ca 0.36 1.82 -0.28 0.00 0.00 0.00 0.00 51.96 53.86 2vb5 s ALA 79 Cb -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2vb5 s ALA 79 CO 0.19 -0.82 0.99 0.00 0.00 0.00 0.00 175.76 176.11 2vb5 s ARG 81 N 2.98 3.50 -1.20 0.00 3.52 -1.26 -1.85 118.95 124.64 2vb5 s ARG 81 Ca 0.42 -1.84 -0.12 0.00 -0.13 0.00 0.00 55.73 54.06 2vb5 s ARG 81 Cb -0.15 -4.66 0.19 0.00 -1.56 0.00 0.00 34.95 28.76 2vb5 s ARG 81 CO 0.08 -1.62 1.45 0.28 -0.81 0.00 0.00 175.30 174.68 2vb5 n VAL 82 N 5.12 4.35 -3.03 7.11 0.31 -0.42 -1.63 118.33 130.15 2vb5 n VAL 82 Ca 0.15 -4.82 -0.33 0.00 -0.01 0.00 0.00 64.34 59.33 2vb5 n VAL 82 Cb 0.47 -2.46 -0.06 0.00 -0.91 0.00 0.00 33.84 30.88 2vb5 n VAL 82 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2vb5 s ASN 83 N 2.17 6.88 0.13 4.52 -0.87 -0.85 -3.65 114.94 123.28 2vb5 s ASN 83 Ca 0.40 1.44 -0.19 0.00 -1.57 0.00 0.00 52.86 52.94 2vb5 s ASN 83 Cb -0.02 -2.43 0.05 0.00 -0.02 0.00 0.00 41.25 38.83 2vb5 s ASN 83 CO -0.01 -0.21 0.49 -2.28 -2.57 0.00 0.00 177.10 172.52 2vb5 s HIS 84 N -1.97 -0.36 0.41 2.20 2.46 -1.24 -1.06 115.29 115.74 2vb5 s HIS 84 Ca 0.55 0.11 0.13 0.00 0.47 0.00 0.00 55.06 56.31 2vb5 s HIS 84 Cb -0.11 0.39 0.96 0.00 -0.13 0.00 0.00 32.58 33.69 2vb5 s HIS 84 CO 0.17 -0.76 1.94 -0.24 -2.47 0.00 0.00 174.74 173.38 2vb5 h VAL 85 N 2.24 0.87 -0.06 0.89 3.04 -1.87 -1.49 116.25 119.88 2vb5 h VAL 85 Ca -0.34 -0.17 -0.10 0.00 -1.01 0.00 0.00 66.70 65.07 2vb5 h VAL 85 Cb 1.28 0.32 0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2vb5 h VAL 85 CO 0.43 0.09 -0.37 0.71 -1.01 0.00 0.00 177.57 177.42 2vb5 h THR 86 N 0.51 1.43 -1.51 3.17 1.35 -1.92 -3.39 112.91 112.54 2vb5 h THR 86 Ca 0.34 -1.79 -0.67 0.00 -0.55 0.00 0.00 66.41 63.74 2vb5 h THR 86 Cb 0.64 2.38 -0.12 0.00 -1.73 0.00 0.00 68.15 69.31 2vb5 h THR 86 CO -0.11 0.52 1.55 -0.76 -0.25 0.00 0.00 175.52 176.46 2vb5 s LEU 87 N -8.63 4.23 0.34 3.87 1.43 -0.56 -4.82 118.68 114.54 2vb5 s LEU 87 Ca -0.14 -2.18 0.07 0.00 -1.03 0.00 0.00 54.13 50.85 2vb5 s LEU 87 Cb 0.04 -2.50 0.77 0.00 0.03 0.00 0.00 46.19 44.52 2vb5 s LEU 87 CO 0.78 -1.16 1.86 0.28 0.23 0.00 0.00 176.35 178.34 2vb5 h SER 88 N 8.40 0.70 -3.24 2.29 0.02 -1.78 -3.28 113.55 116.67 2vb5 h SER 88 Ca 0.29 0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.71 2vb5 h SER 88 Cb 0.94 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 2vb5 h SER 88 CO 1.34 0.36 -0.17 0.00 -1.14 0.00 0.00 176.83 177.21 2vb5 s GLN 89 N -5.73 3.83 0.01 3.45 -2.07 -1.26 -5.00 119.66 112.89 2vb5 s GLN 89 Ca -0.10 0.28 -0.30 0.00 -1.82 0.00 0.00 55.36 53.42 2vb5 s GLN 89 Cb 0.22 -2.91 -0.04 0.00 -1.09 0.00 0.00 33.01 29.20 2vb5 s GLN 89 CO 0.79 0.49 1.06 -1.25 -1.32 0.00 0.00 175.29 175.06 2vb5 s PRO 90 N -2.13 4.50 -0.97 9.60 0.04 -1.26 -4.84 135.00 139.95 2vb5 s PRO 90 Ca 0.38 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 2vb5 s PRO 90 Cb -0.14 -3.43 0.10 0.00 0.04 0.00 0.00 34.50 31.07 2vb5 s PRO 90 CO 0.19 -0.15 1.24 0.15 0.04 0.00 0.00 177.00 178.48 2vb5 s LYS 91 N 1.14 3.61 -1.04 4.56 3.01 -1.24 -4.94 119.74 124.84 2vb5 s LYS 91 Ca 0.54 -1.56 -0.23 0.00 -1.01 0.00 0.00 55.97 53.71 2vb5 s LYS 91 Cb -0.24 -5.07 0.01 0.00 -1.01 0.00 0.00 37.83 31.52 2vb5 s LYS 91 CO 0.27 -1.92 1.69 0.42 0.51 0.00 0.00 175.35 176.32 2vb5 s ILE 92 N 3.44 3.77 0.51 2.17 -1.09 -1.26 -1.30 121.20 127.44 2vb5 s ILE 92 Ca 0.37 -0.83 -0.21 0.00 -2.23 0.00 0.00 60.65 57.75 2vb5 s ILE 92 Cb -0.03 -4.71 -0.06 0.00 -1.58 0.00 0.00 42.46 36.07 2vb5 s ILE 92 CO -0.09 -1.56 1.20 -0.69 -1.23 0.00 0.00 174.94 172.57 2vb5 s VAL 93 N 7.02 2.87 -0.39 2.92 1.01 -0.77 -4.96 120.40 128.10 2vb5 s VAL 93 Ca 0.57 0.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 2vb5 s VAL 93 Cb -0.01 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2vb5 s VAL 93 CO -0.02 -0.05 0.33 -0.54 0.00 0.00 0.00 175.10 174.82 2vb5 s LYS 94 N -2.93 3.15 -0.45 2.72 1.02 -1.26 -3.95 119.74 118.04 2vb5 s LYS 94 Ca 0.69 -0.83 -0.26 0.00 0.02 0.00 0.00 55.97 55.58 2vb5 s LYS 94 Cb -0.30 -3.93 -0.06 0.00 -0.52 0.00 0.00 37.83 33.02 2vb5 s LYS 94 CO 0.35 -0.70 2.37 -0.46 -0.92 0.00 0.00 175.35 175.99 2vb5 s TRP 95 N 1.84 1.10 -0.84 3.18 -0.00 -1.18 -4.90 118.94 118.14 2vb5 s TRP 95 Ca 0.08 1.39 -0.22 0.00 -0.00 0.00 0.00 56.10 57.35 2vb5 s TRP 95 Cb -0.18 -3.65 0.09 0.00 -0.00 0.00 0.00 33.47 29.73 2vb5 s TRP 95 CO 0.11 -2.78 1.15 -0.51 -0.00 0.00 0.00 176.95 174.92 2vb5 s ASP 96 N 11.48 6.40 0.50 5.86 1.01 -1.26 -4.89 116.67 135.78 2vb5 s ASP 96 Ca 0.97 -1.42 0.35 0.00 0.71 0.00 0.00 52.55 53.16 2vb5 s ASP 96 Cb -0.19 -2.45 1.48 0.00 1.01 0.00 0.00 42.92 42.77 2vb5 s ASP 96 CO 0.27 -1.35 1.73 0.08 0.21 0.00 0.00 175.17 176.11 2vb5 h ARG 97 N 9.38 0.08 -2.60 8.23 -0.00 -1.90 -2.82 114.38 124.75 2vb5 h ARG 97 Ca -0.03 -0.01 -0.57 0.00 -0.00 0.00 0.00 59.98 59.37 2vb5 h ARG 97 Cb 1.04 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.97 30.94 2vb5 h ARG 97 CO 1.21 0.06 2.29 -0.40 -0.00 0.00 0.00 179.97 183.12 2vb5 n ASP 98 N -4.30 7.66 0.00 0.08 5.75 -1.26 -4.76 116.55 119.71 2vb5 n ASP 98 Ca 0.31 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 2vb5 n ASP 98 Cb 1.34 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2vb5 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89