#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 3.75 -1.08 3.17 1.10 -1.26 -4.91 121.20 121.97 2vb5 s ILE 1 Ca 0.00 -0.64 -0.11 0.00 -0.51 0.00 0.00 60.65 59.40 2vb5 s ILE 1 Cb 0.00 -4.68 0.25 0.00 0.15 0.00 0.00 42.46 38.18 2vb5 s ILE 1 CO 0.00 -1.58 1.09 0.00 -2.11 0.00 0.00 174.94 172.35 2vb5 s GLN 2 N 5.71 4.09 0.23 3.50 -2.07 -1.26 -4.95 119.66 124.90 2vb5 s GLN 2 Ca 0.55 -3.00 -0.31 0.00 -1.82 0.00 0.00 55.36 50.78 2vb5 s GLN 2 Cb -0.02 -4.60 -0.10 0.00 -1.09 0.00 0.00 33.01 27.19 2vb5 s GLN 2 CO -0.06 -1.32 1.53 1.03 -1.32 0.00 0.00 175.29 175.15 2vb5 s ARG 3 N -0.65 4.21 0.39 9.60 0.52 -1.22 -4.86 118.95 126.94 2vb5 s ARG 3 Ca 0.30 2.40 -0.07 0.00 -0.52 0.00 0.00 55.73 57.84 2vb5 s ARG 3 Cb -0.09 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 2vb5 s ARG 3 CO -0.07 -0.54 0.70 0.95 0.02 0.00 0.00 175.30 176.36 2vb5 s THR 4 N 0.42 4.89 0.15 0.02 -4.23 -1.26 -0.92 115.64 114.71 2vb5 s THR 4 Ca 0.64 0.32 -0.31 0.00 -1.18 0.00 0.00 61.69 61.16 2vb5 s THR 4 Cb -0.44 -3.77 -0.11 0.00 1.34 0.00 0.00 72.50 69.53 2vb5 s THR 4 CO 0.40 -0.54 1.74 -2.16 -0.54 0.00 0.00 174.62 173.52 2vb5 s PRO 5 N -3.98 4.15 -0.32 3.99 0.04 -1.26 -4.32 135.00 133.30 2vb5 s PRO 5 Ca 0.48 2.54 -0.24 0.00 0.04 0.00 0.00 61.00 63.82 2vb5 s PRO 5 Cb -0.10 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2vb5 s PRO 5 CO 0.34 -0.77 0.80 0.21 0.04 0.00 0.00 177.00 177.62 2vb5 s LYS 6 N 2.02 3.92 -0.14 4.56 2.36 -0.20 -4.92 119.74 127.34 2vb5 s LYS 6 Ca 0.77 0.54 -0.26 0.00 -2.55 0.00 0.00 55.97 54.47 2vb5 s LYS 6 Cb -0.46 -3.75 -0.02 0.00 -1.05 0.00 0.00 37.83 32.56 2vb5 s LYS 6 CO 0.34 -0.72 0.85 0.42 1.55 0.00 0.00 175.35 177.78 2vb5 s ILE 7 N 3.01 4.89 -0.42 5.43 1.09 -1.26 -2.73 121.20 131.21 2vb5 s ILE 7 Ca 0.33 1.69 0.04 0.00 -1.10 0.00 0.00 60.65 61.61 2vb5 s ILE 7 Cb -0.14 -4.16 0.17 0.00 -1.06 0.00 0.00 42.46 37.27 2vb5 s ILE 7 CO 0.14 0.06 0.40 -1.10 -0.10 0.00 0.00 174.94 174.33 2vb5 s GLN 8 N 1.88 0.89 -0.73 2.79 -0.21 -1.23 -5.05 119.66 117.99 2vb5 s GLN 8 Ca 0.40 -1.80 -0.14 0.00 0.02 0.00 0.00 55.36 53.85 2vb5 s GLN 8 Cb -0.17 -1.13 0.19 0.00 1.00 0.00 0.00 33.01 32.90 2vb5 s GLN 8 CO 0.15 -1.35 0.67 0.08 -2.12 0.00 0.00 175.29 172.71 2vb5 s VAL 9 N 0.35 5.35 0.23 1.09 1.01 -1.26 -1.69 120.40 125.49 2vb5 s VAL 9 Ca 0.30 -2.25 0.09 0.00 0.00 0.00 0.00 61.98 60.12 2vb5 s VAL 9 Cb 0.00 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2vb5 s VAL 9 CO -0.15 -0.97 0.01 -0.72 0.00 0.00 0.00 175.10 173.27 2vb5 s TYR 10 N 0.53 2.77 -0.11 5.22 -0.85 -1.10 -4.11 117.35 119.69 2vb5 s TYR 10 Ca 0.14 -0.19 -0.13 0.00 -0.52 0.00 0.00 57.07 56.37 2vb5 s TYR 10 Cb -0.16 -1.27 -0.05 0.00 0.38 0.00 0.00 41.96 40.86 2vb5 s TYR 10 CO -0.05 0.58 0.30 0.45 -1.52 0.00 0.00 175.55 175.30 2vb5 s SER 11 N -3.42 6.53 0.07 -0.18 0.15 -0.24 -0.34 113.70 116.27 2vb5 s SER 11 Ca 0.30 0.62 -0.26 0.00 0.70 0.00 0.00 55.95 57.31 2vb5 s SER 11 Cb -0.07 -2.18 -0.17 0.00 -1.71 0.00 0.00 66.02 61.89 2vb5 s SER 11 CO 0.20 0.20 1.64 -0.09 1.20 0.00 0.00 173.24 176.39 2vb5 h ARG 12 N 5.92 -0.30 -6.27 5.44 9.65 -1.52 -3.45 114.38 123.86 2vb5 h ARG 12 Ca -0.46 0.02 -0.56 0.00 -1.10 0.00 0.00 59.98 57.88 2vb5 h ARG 12 Cb 1.19 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.80 2vb5 h ARG 12 CO 0.69 -0.16 -0.24 -1.01 2.80 0.00 0.00 179.97 182.05 2vb5 s HIS 13 N -5.93 3.46 0.08 2.20 3.76 -1.26 -5.02 115.29 112.57 2vb5 s HIS 13 Ca -0.15 0.67 -0.31 0.00 -0.15 0.00 0.00 55.06 55.12 2vb5 s HIS 13 Cb 0.05 -2.09 -0.07 0.00 1.11 0.00 0.00 32.58 31.58 2vb5 s HIS 13 CO 0.64 0.37 1.30 -1.25 -0.85 0.00 0.00 174.74 174.95 2vb5 s PRO 14 N -2.74 4.37 -0.74 8.40 0.04 -1.26 -4.79 135.00 138.28 2vb5 s PRO 14 Ca 0.43 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 63.14 2vb5 s PRO 14 Cb -0.12 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 31.00 2vb5 s PRO 14 CO 0.24 -0.37 2.31 0.00 0.04 0.00 0.00 177.00 179.22 2vb5 s ALA 15 N 1.20 1.10 -0.12 8.56 0.00 -1.26 -4.94 121.76 126.30 2vb5 s ALA 15 Ca 0.62 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 2vb5 s ALA 15 Cb -0.33 -4.51 -0.03 0.00 0.00 0.00 0.00 23.12 18.25 2vb5 s ALA 15 CO 0.29 -5.36 0.73 -1.21 0.00 0.00 0.00 175.76 170.22 2vb5 s GLU 16 N 8.39 4.35 -0.02 0.00 2.02 -1.26 -5.03 118.70 127.15 2vb5 s GLU 16 Ca 0.89 0.88 -0.30 0.00 0.02 0.00 0.00 54.97 56.46 2vb5 s GLU 16 Cb -0.13 -3.51 -0.06 0.00 0.10 0.00 0.00 34.13 30.53 2vb5 s GLU 16 CO 0.11 -0.11 1.58 1.21 0.02 0.00 0.00 175.26 178.07 2vb5 s ASN 17 N 0.99 6.71 -0.43 -0.19 3.84 -1.26 -3.32 114.94 121.27 2vb5 s ASN 17 Ca 0.36 2.23 -0.01 0.00 0.21 0.00 0.00 52.86 55.65 2vb5 s ASN 17 Cb -0.17 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.97 2vb5 s ASN 17 CO 0.15 -0.87 0.38 0.61 -2.79 0.00 0.00 177.10 174.59 2vb5 n GLY 18 N 3.98 -0.38 0.00 1.21 0.00 -0.39 -5.03 105.19 104.57 2vb5 n GLY 18 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.87 0.00 -3.75 1.61 3.00 -1.20 -5.02 118.16 110.94 2vb5 n LYS 19 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.16 2vb5 n LYS 19 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.42 2vb5 n LYS 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2vb5 s SER 20 N 1.83 -0.14 -0.05 3.14 1.04 -1.26 -3.70 113.70 114.55 2vb5 s SER 20 Ca 0.00 0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.69 2vb5 s SER 20 Cb 0.00 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.38 2vb5 s SER 20 CO 0.00 -0.14 0.20 0.20 0.98 0.00 0.00 173.24 174.48 2vb5 s ASN 21 N 1.03 -0.14 -0.24 7.02 -0.87 -0.29 -4.93 114.94 116.53 2vb5 s ASN 21 Ca -0.08 0.19 -0.10 0.00 -1.57 0.00 0.00 52.86 51.30 2vb5 s ASN 21 Cb -0.10 0.34 -0.05 0.00 -0.02 0.00 0.00 41.25 41.43 2vb5 s ASN 21 CO -0.06 -0.20 0.15 -0.36 -2.57 0.00 0.00 177.10 174.06 2vb5 s PHE 22 N -0.51 3.29 0.52 2.20 0.08 -1.26 -1.23 117.98 121.06 2vb5 s PHE 22 Ca -0.06 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.99 2vb5 s PHE 22 Cb -0.04 -2.27 -0.08 0.00 -0.57 0.00 0.00 43.02 40.07 2vb5 s PHE 22 CO 0.01 0.02 0.99 -1.17 -0.10 0.00 0.00 175.22 174.98 2vb5 s LEU 23 N 1.12 3.64 -0.41 -0.37 2.96 -1.11 -1.38 118.68 123.13 2vb5 s LEU 23 Ca 0.07 1.62 0.04 0.00 -0.22 0.00 0.00 54.13 55.63 2vb5 s LEU 23 Cb -0.14 -4.52 0.17 0.00 0.50 0.00 0.00 46.19 42.20 2vb5 s LEU 23 CO 0.05 -0.65 0.37 0.20 -1.32 0.00 0.00 176.35 175.00 2vb5 s ASN 24 N -2.95 1.26 -1.02 3.68 0.01 0.54 -3.64 114.94 112.82 2vb5 s ASN 24 Ca 0.60 -2.68 -0.23 0.00 -0.71 0.00 0.00 52.86 49.84 2vb5 s ASN 24 Cb -0.11 -0.08 0.05 0.00 0.41 0.00 0.00 41.25 41.52 2vb5 s ASN 24 CO 0.30 -0.18 1.48 0.00 -1.51 0.00 0.00 177.10 177.19 2vb5 s TYR 26 N 5.21 2.97 -0.79 0.00 5.04 -0.68 -1.65 117.35 127.44 2vb5 s TYR 26 Ca 0.47 -1.46 -0.17 0.00 -2.44 0.00 0.00 57.07 53.47 2vb5 s TYR 26 Cb -0.00 -4.51 0.16 0.00 0.35 0.00 0.00 41.96 37.95 2vb5 s TYR 26 CO -0.09 -1.66 0.86 0.08 -1.34 0.00 0.00 175.55 173.39 2vb5 s VAL 27 N 3.42 5.10 -0.08 3.14 1.01 -0.80 -3.56 120.40 128.63 2vb5 s VAL 27 Ca 0.43 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.64 2vb5 s VAL 27 Cb -0.01 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2vb5 s VAL 27 CO -0.04 -1.21 -0.02 -0.94 0.00 0.00 0.00 175.10 172.89 2vb5 s SER 28 N 3.07 5.05 0.00 3.32 1.04 -1.10 -3.55 113.70 121.52 2vb5 s SER 28 Ca 0.21 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2vb5 s SER 28 Cb -0.13 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.59 2vb5 s SER 28 CO -0.05 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2vb5 n GLY 29 N 2.23 0.86 3.55 7.32 0.00 -1.08 -1.04 105.19 117.03 2vb5 n GLY 29 Ca -0.18 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.79 3.22 -0.15 1.61 -0.71 -1.26 -4.18 117.98 113.72 2vb5 s PHE 30 Ca 0.00 -0.10 0.01 0.00 -1.04 0.00 0.00 56.93 55.80 2vb5 s PHE 30 Cb 0.00 -2.42 0.00 0.00 -1.21 0.00 0.00 43.02 39.39 2vb5 s PHE 30 CO 0.00 -0.28 -0.16 -1.01 -1.34 0.00 0.00 175.22 172.42 2vb5 s HIS 31 N 1.73 2.77 0.39 3.49 3.76 -0.10 -3.95 115.29 123.39 2vb5 s HIS 31 Ca 0.06 -1.10 -0.07 0.00 -0.15 0.00 0.00 55.06 53.81 2vb5 s HIS 31 Cb -0.17 -1.88 0.09 0.00 1.11 0.00 0.00 32.58 31.74 2vb5 s HIS 31 CO 0.10 -0.50 0.46 -0.35 -0.85 0.00 0.00 174.74 173.61 2vb5 n PRO 32 N 4.08 -0.93 -0.13 8.40 -0.04 -1.26 -3.43 135.00 141.69 2vb5 n PRO 32 Ca -0.19 -0.72 -0.02 0.00 -0.04 0.00 0.00 63.50 62.52 2vb5 n PRO 32 Cb 0.52 -0.54 0.03 0.00 -0.04 0.00 0.00 33.50 33.46 2vb5 n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2vb5 n SER 33 N -3.45 2.75 -3.66 3.54 3.41 -1.25 -4.67 113.62 110.29 2vb5 n SER 33 Ca 0.06 -2.16 -0.40 0.00 -0.26 0.00 0.00 58.87 56.11 2vb5 n SER 33 Cb 0.22 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.27 6.85 -4.85 4.04 8.00 -1.26 -5.01 116.55 124.58 2vb5 n ASP 34 Ca 0.06 -3.62 -0.22 0.00 0.71 0.00 0.00 54.79 51.72 2vb5 n ASP 34 Cb 0.57 -1.13 -0.04 0.00 -0.02 0.00 0.00 41.12 40.50 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 -3.95 4.62 -0.34 0.53 2.07 -1.26 -3.38 121.20 119.49 2vb5 s ILE 35 Ca 0.38 -1.29 -0.00 0.00 -1.41 0.00 0.00 60.65 58.33 2vb5 s ILE 35 Cb 0.16 -3.49 0.13 0.00 0.13 0.00 0.00 42.46 39.40 2vb5 s ILE 35 CO -0.07 -0.32 0.24 -1.61 -1.91 0.00 0.00 174.94 171.26 2vb5 s GLU 36 N -3.80 0.47 -1.24 3.50 2.02 0.06 -5.01 118.70 114.70 2vb5 s GLU 36 Ca 0.33 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 54.25 2vb5 s GLU 36 Cb -0.08 -1.09 0.18 0.00 0.10 0.00 0.00 34.13 33.24 2vb5 s GLU 36 CO 0.26 -1.15 1.69 0.28 0.02 0.00 0.00 175.26 176.35 2vb5 n VAL 37 N 4.44 4.40 -2.67 2.63 0.31 -1.26 -2.53 118.33 123.64 2vb5 n VAL 37 Ca 0.07 -4.64 -0.43 0.00 -0.01 0.00 0.00 64.34 59.33 2vb5 n VAL 37 Cb 0.40 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 2vb5 n VAL 37 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2vb5 n ASP 38 N 4.19 5.30 -4.72 4.52 2.03 -1.19 -4.83 116.55 121.85 2vb5 n ASP 38 Ca 0.37 -3.09 -0.33 0.00 0.52 0.00 0.00 54.79 52.26 2vb5 n ASP 38 Cb 0.38 -1.48 0.10 0.00 -0.72 0.00 0.00 41.12 39.40 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 0.09 3.19 0.18 -2.67 0.05 -1.26 -4.18 118.68 114.08 2vb5 s LEU 39 Ca 0.39 2.21 0.03 0.00 0.05 0.00 0.00 54.13 56.81 2vb5 s LEU 39 Cb 0.04 -4.57 -0.05 0.00 -2.05 0.00 0.00 46.19 39.56 2vb5 s LEU 39 CO 0.01 -2.34 -0.03 -0.76 -0.55 0.00 0.00 176.35 172.68 2vb5 s LEU 40 N -5.52 2.27 -0.23 1.48 1.43 -0.39 -4.08 118.68 113.63 2vb5 s LEU 40 Ca 0.70 -1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2vb5 s LEU 40 Cb -0.25 -0.19 0.08 0.00 0.03 0.00 0.00 46.19 45.86 2vb5 s LEU 40 CO 0.49 -0.49 0.08 -1.59 0.23 0.00 0.00 176.35 175.07 2vb5 s LYS 41 N -3.85 0.45 -1.46 1.70 -2.85 -1.08 -2.08 119.74 110.57 2vb5 s LYS 41 Ca 0.23 -0.51 -0.12 0.00 -1.00 0.00 0.00 55.97 54.57 2vb5 s LYS 41 Cb 0.05 -1.83 0.05 0.00 -2.06 0.00 0.00 37.83 34.05 2vb5 s LYS 41 CO 0.04 -0.80 1.05 0.09 0.10 0.00 0.00 175.35 175.83 2vb5 n ASN 42 N 5.10 -5.51 0.00 0.03 3.02 -0.25 -1.69 115.26 115.96 2vb5 n ASN 42 Ca -0.07 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 2vb5 n ASN 42 Cb 0.45 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 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 -1.81 3.06 3.77 7.41 0.00 -1.26 -5.02 105.19 111.34 2vb5 n GLY 43 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.14 2.92 0.65 1.61 2.02 -0.68 -4.98 118.70 120.11 2vb5 s GLU 44 Ca 0.00 1.43 -0.17 0.00 0.02 0.00 0.00 54.97 56.25 2vb5 s GLU 44 Cb 0.00 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 2vb5 s GLU 44 CO 0.00 -1.16 1.20 -0.98 0.02 0.00 0.00 175.26 174.34 2vb5 s ARG 45 N -3.94 2.64 -0.01 1.61 1.70 -1.26 -2.62 118.95 117.07 2vb5 s ARG 45 Ca 0.68 1.76 -0.15 0.00 -0.47 0.00 0.00 55.73 57.56 2vb5 s ARG 45 Cb -0.21 -1.89 -0.06 0.00 -0.57 0.00 0.00 34.95 32.22 2vb5 s ARG 45 CO 0.39 -1.45 0.40 -1.50 -1.08 0.00 0.00 175.30 172.06 2vb5 s ILE 46 N -1.81 5.05 -1.19 4.99 1.10 -1.26 -4.79 121.20 123.29 2vb5 s ILE 46 Ca 0.75 0.83 -0.12 0.00 -0.51 0.00 0.00 60.65 61.60 2vb5 s ILE 46 Cb -0.29 -3.71 0.20 0.00 0.15 0.00 0.00 42.46 38.81 2vb5 s ILE 46 CO 0.39 0.57 1.37 -0.62 -2.11 0.00 0.00 174.94 174.53 2vb5 n GLU 47 N 1.91 3.42 -1.60 3.50 4.71 -1.26 -4.80 120.64 126.52 2vb5 n GLU 47 Ca -0.14 -4.00 0.00 0.00 -0.01 0.00 0.00 57.16 53.01 2vb5 n GLU 47 Cb 0.52 -2.92 0.00 0.00 -1.01 0.00 0.00 31.44 28.04 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 4.86 -2.37 -3.11 3.49 3.00 -1.26 -5.02 118.16 117.75 2vb5 n LYS 48 Ca 0.34 1.99 -0.39 0.00 -0.00 0.00 0.00 58.31 60.25 2vb5 n LYS 48 Cb 0.42 -2.41 -0.06 0.00 0.00 0.00 0.00 35.03 32.98 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 -0.27 4.64 -0.19 3.15 1.01 -1.26 -4.87 120.40 122.62 2vb5 s VAL 49 Ca 0.00 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.35 2vb5 s VAL 49 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2vb5 s VAL 49 CO 0.00 0.48 0.14 -1.61 0.00 0.00 0.00 175.10 174.12 2vb5 s GLU 50 N -0.74 4.09 0.07 2.72 2.02 -1.03 -4.98 118.70 120.86 2vb5 s GLU 50 Ca 0.33 -0.18 0.08 0.00 0.02 0.00 0.00 54.97 55.22 2vb5 s GLU 50 Cb -0.21 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 2vb5 s GLU 50 CO 0.22 0.36 -0.20 -3.38 0.02 0.00 0.00 175.26 172.27 2vb5 s HIS 51 N 0.18 1.78 -1.50 1.61 -3.43 -1.26 -0.95 115.29 111.72 2vb5 s HIS 51 Ca 0.10 -0.39 0.09 0.00 -0.80 0.00 0.00 55.06 54.05 2vb5 s HIS 51 Cb -0.11 -1.02 0.31 0.00 -1.43 0.00 0.00 32.58 30.33 2vb5 s HIS 51 CO -0.01 0.14 1.17 0.45 -2.00 0.00 0.00 174.74 174.49 2vb5 n SER 52 N 1.49 2.25 -0.96 7.38 2.88 -1.23 -4.92 113.62 120.51 2vb5 n SER 52 Ca -0.18 -2.15 0.12 0.00 -1.33 0.00 0.00 58.87 55.33 2vb5 n SER 52 Cb 0.53 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.59 2vb5 n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2vb5 n ASP 53 N 0.38 -5.75 -4.58 -3.46 8.00 -1.26 -4.54 116.55 105.35 2vb5 n ASP 53 Ca 0.11 0.67 -0.34 0.00 0.71 0.00 0.00 54.79 55.94 2vb5 n ASP 53 Cb 0.42 -3.08 -0.04 0.00 -0.02 0.00 0.00 41.12 38.40 2vb5 n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2vb5 s LEU 54 N -6.42 3.35 -0.15 0.64 2.96 -1.26 -4.39 118.68 113.40 2vb5 s LEU 54 Ca 0.00 -1.98 -0.17 0.00 -0.22 0.00 0.00 54.13 51.76 2vb5 s LEU 54 Cb 0.00 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2vb5 s LEU 54 CO 0.00 -2.36 0.45 -0.44 -1.32 0.00 0.00 176.35 172.68 2vb5 s SER 55 N 5.62 6.60 -0.36 3.68 0.01 -1.25 -4.92 113.70 123.08 2vb5 s SER 55 Ca 0.63 0.71 -0.20 0.00 1.31 0.00 0.00 55.95 58.40 2vb5 s SER 55 Cb 0.01 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2vb5 s SER 55 CO 0.11 -0.04 0.61 -0.36 0.41 0.00 0.00 173.24 173.98 2vb5 s PHE 56 N 0.90 3.16 0.07 2.43 0.40 -1.26 -1.58 117.98 122.11 2vb5 s PHE 56 Ca 0.24 0.30 -0.18 0.00 -0.60 0.00 0.00 56.93 56.68 2vb5 s PHE 56 Cb -0.15 -3.09 -0.10 0.00 0.51 0.00 0.00 43.02 40.19 2vb5 s PHE 56 CO 0.09 -0.61 1.46 0.66 0.70 0.00 0.00 175.22 177.52 2vb5 h SER 57 N 8.47 0.47 -0.11 1.36 4.64 -1.89 -3.40 113.55 123.09 2vb5 h SER 57 Ca -0.27 -0.38 -0.20 0.00 -0.47 0.00 0.00 61.79 60.47 2vb5 h SER 57 Cb 1.11 -0.13 -0.20 0.00 -0.31 0.00 0.00 62.40 62.87 2vb5 h SER 57 CO 0.82 0.75 -0.45 2.29 -0.87 0.00 0.00 176.83 179.37 2vb5 n LYS 58 N -4.55 1.40 -3.81 4.77 2.85 -1.26 -5.00 118.16 112.56 2vb5 n LYS 58 Ca -0.04 -1.75 -0.28 0.00 -1.05 0.00 0.00 58.31 55.19 2vb5 n LYS 58 Cb 0.31 -0.03 0.01 0.00 -0.65 0.00 0.00 35.03 34.67 2vb5 n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2vb5 n ASP 59 N -1.21 -2.64 0.00 -5.58 2.03 -1.26 -4.84 116.55 103.05 2vb5 n ASP 59 Ca -0.11 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.20 2vb5 n ASP 59 Cb 0.86 -3.27 0.00 0.00 -0.72 0.00 0.00 41.12 37.99 2vb5 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vb5 n GLY 60 N -1.81 0.00 0.00 0.27 0.00 -1.26 -5.13 105.19 97.26 2vb5 n GLY 60 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2vb5 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vb5 n SER 61 N 0.00 0.00 -4.41 1.61 7.64 -1.26 -5.01 113.62 112.18 2vb5 n SER 61 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 2vb5 n SER 61 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 2vb5 n SER 61 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2vb5 s PHE 62 N 0.00 3.20 -0.35 1.43 2.99 -1.26 -2.59 117.98 121.40 2vb5 s PHE 62 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 56.93 56.13 2vb5 s PHE 62 Cb 0.00 -2.38 0.03 0.00 0.00 0.00 0.00 43.02 40.68 2vb5 s PHE 62 CO 0.00 -0.52 0.15 1.52 -0.00 0.00 0.00 175.22 176.37 2vb5 s TYR 63 N 1.59 3.24 -0.14 0.36 -0.85 -0.61 -2.64 117.35 118.29 2vb5 s TYR 63 Ca 0.04 -1.18 -0.03 0.00 -0.52 0.00 0.00 57.07 55.38 2vb5 s TYR 63 Cb -0.18 -2.35 -0.03 0.00 0.38 0.00 0.00 41.96 39.79 2vb5 s TYR 63 CO 0.06 -0.68 -0.05 -0.51 -1.52 0.00 0.00 175.55 172.85 2vb5 s LEU 64 N 1.48 3.18 -0.84 -3.49 1.02 -1.23 -3.91 118.68 114.88 2vb5 s LEU 64 Ca 0.00 -0.14 -0.16 0.00 0.02 0.00 0.00 54.13 53.85 2vb5 s LEU 64 Cb -0.19 -1.75 0.17 0.00 0.02 0.00 0.00 46.19 44.44 2vb5 s LEU 64 CO 0.05 0.19 0.90 -0.22 0.02 0.00 0.00 176.35 177.28 2vb5 s LEU 65 N 0.25 5.95 -1.27 1.79 2.96 -1.26 -1.91 118.68 125.18 2vb5 s LEU 65 Ca -0.04 -2.30 -0.16 0.00 -0.22 0.00 0.00 54.13 51.41 2vb5 s LEU 65 Cb -0.14 -2.29 0.11 0.00 0.50 0.00 0.00 46.19 44.37 2vb5 s LEU 65 CO 0.03 -0.82 1.64 -1.22 -1.32 0.00 0.00 176.35 174.66 2vb5 n TYR 66 N 5.24 4.68 -3.66 5.38 4.01 -0.66 -3.49 117.16 128.66 2vb5 n TYR 66 Ca 0.15 -3.06 -0.37 0.00 -0.16 0.00 0.00 57.90 54.47 2vb5 n TYR 66 Cb 0.47 -2.42 -0.10 0.00 -0.31 0.00 0.00 39.34 36.98 2vb5 n TYR 66 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2vb5 s TYR 67 N 2.94 3.31 0.42 -0.72 1.13 -0.13 -3.46 117.35 120.85 2vb5 s TYR 67 Ca 0.49 0.22 0.03 0.00 -1.41 0.00 0.00 57.07 56.40 2vb5 s TYR 67 Cb 0.02 -2.27 0.08 0.00 -1.10 0.00 0.00 41.96 38.68 2vb5 s TYR 67 CO 0.04 0.06 0.58 -2.37 -2.51 0.00 0.00 175.55 171.35 2vb5 n THR 68 N 4.31 0.00 -2.86 -3.49 5.66 -1.24 -2.45 114.28 114.20 2vb5 n THR 68 Ca -0.15 -1.16 -0.22 0.00 -3.05 0.00 0.00 64.05 59.47 2vb5 n THR 68 Cb 0.52 -0.86 -0.02 0.00 -1.55 0.00 0.00 70.33 68.43 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 -2.00 2.38 -1.81 1.09 0.00 -1.26 -2.75 120.64 116.28 2vb5 n GLU 69 Ca 0.11 -4.16 -0.35 0.00 0.00 0.00 0.00 57.16 52.76 2vb5 n GLU 69 Cb 0.39 -1.95 0.05 0.00 0.00 0.00 0.00 31.44 29.93 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 -3.17 2.32 -0.62 -1.84 -0.12 -0.36 -4.68 117.98 109.51 2vb5 s PHE 70 Ca 0.43 1.54 -0.04 0.00 -0.05 0.00 0.00 56.93 58.82 2vb5 s PHE 70 Cb 0.35 -3.44 0.16 0.00 -0.63 0.00 0.00 43.02 39.46 2vb5 s PHE 70 CO -0.11 -2.27 0.45 0.99 -0.05 0.00 0.00 175.22 174.22 2vb5 s THR 71 N -1.80 3.83 -0.73 -4.49 2.01 -1.26 -1.14 115.64 112.07 2vb5 s THR 71 Ca 0.75 -2.84 -0.26 0.00 0.31 0.00 0.00 61.69 59.65 2vb5 s THR 71 Cb -0.29 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2vb5 s THR 71 CO 0.38 -0.87 1.50 -2.16 -0.69 0.00 0.00 174.62 172.77 2vb5 s PRO 72 N 0.06 3.02 -0.05 4.92 0.04 -1.24 -4.86 135.00 136.88 2vb5 s PRO 72 Ca 0.16 -0.04 -0.09 0.00 0.04 0.00 0.00 61.00 61.07 2vb5 s PRO 72 Cb -0.20 -4.37 -0.05 0.00 0.04 0.00 0.00 34.50 29.92 2vb5 s PRO 72 CO -0.04 -2.39 0.42 1.15 0.04 0.00 0.00 177.00 176.18 2vb5 h THR 73 N 6.40 0.00 0.00 1.26 2.02 -1.91 -1.02 112.91 119.67 2vb5 h THR 73 Ca -0.22 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2vb5 h THR 73 Cb 1.08 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2vb5 h THR 73 CO 1.27 0.00 0.00 1.21 0.37 0.00 0.00 175.52 178.37 2vb5 n GLU 74 N -4.74 0.00 -1.33 6.66 4.07 -1.26 -2.52 120.64 121.52 2vb5 n GLU 74 Ca -0.04 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.82 2vb5 n GLU 74 Cb 0.13 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.47 2vb5 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2vb5 n LYS 75 N -0.55 2.25 -3.52 5.31 4.81 -1.26 -4.91 118.16 120.29 2vb5 n LYS 75 Ca 0.00 -2.11 -0.40 0.00 -0.87 0.00 0.00 58.31 54.93 2vb5 n LYS 75 Cb 0.00 -2.02 -0.10 0.00 0.02 0.00 0.00 35.03 32.93 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 0.38 6.07 -0.23 3.14 1.01 -1.26 -5.05 116.67 120.74 2vb5 s ASP 76 Ca 0.53 -0.27 -0.09 0.00 0.71 0.00 0.00 52.55 53.43 2vb5 s ASP 76 Cb 0.35 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 42.09 2vb5 s ASP 76 CO -0.16 -0.20 0.11 -1.83 0.21 0.00 0.00 175.17 173.30 2vb5 s GLU 77 N 1.78 3.95 -0.15 8.23 4.04 -1.26 -4.98 118.70 130.31 2vb5 s GLU 77 Ca 0.07 -0.34 -0.03 0.00 0.04 0.00 0.00 54.97 54.71 2vb5 s GLU 77 Cb -0.17 -3.40 -0.03 0.00 0.02 0.00 0.00 34.13 30.55 2vb5 s GLU 77 CO 0.11 0.06 -0.03 0.71 -1.84 0.00 0.00 175.26 174.27 2vb5 s TYR 78 N 0.99 3.04 -0.17 4.83 1.51 -1.26 -1.09 117.35 125.20 2vb5 s TYR 78 Ca 0.06 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 2vb5 s TYR 78 Cb -0.14 -1.94 0.07 0.00 -0.11 0.00 0.00 41.96 39.85 2vb5 s TYR 78 CO 0.03 0.03 0.16 0.00 -1.11 0.00 0.00 175.55 174.66 2vb5 s ALA 79 N 0.21 0.01 -0.08 3.71 0.00 -0.88 -2.13 121.76 122.60 2vb5 s ALA 79 Ca -0.02 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 2vb5 s ALA 79 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 2vb5 s ALA 79 CO 0.03 -1.08 1.15 0.00 0.00 0.00 0.00 175.76 175.86 2vb5 s ARG 81 N 2.24 3.92 -0.96 0.00 3.52 -1.26 -1.73 118.95 124.68 2vb5 s ARG 81 Ca 0.54 -2.85 -0.20 0.00 -0.13 0.00 0.00 55.73 53.09 2vb5 s ARG 81 Cb -0.23 -4.51 0.11 0.00 -1.56 0.00 0.00 34.95 28.76 2vb5 s ARG 81 CO 0.20 -1.28 1.22 0.08 -0.81 0.00 0.00 175.30 174.72 2vb5 s VAL 82 N -0.54 4.51 -0.42 7.11 1.01 -0.57 -3.19 120.40 128.31 2vb5 s VAL 82 Ca 0.25 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 2vb5 s VAL 82 Cb -0.10 -4.86 0.04 0.00 0.00 0.00 0.00 36.38 31.46 2vb5 s VAL 82 CO -0.08 -1.63 0.30 0.20 0.00 0.00 0.00 175.10 173.88 2vb5 s ASN 83 N 4.00 6.01 0.17 3.32 -0.87 -1.05 -2.83 114.94 123.69 2vb5 s ASN 83 Ca 0.37 -1.04 0.11 0.00 -1.57 0.00 0.00 52.86 50.72 2vb5 s ASN 83 Cb -0.03 -2.13 -0.04 0.00 -0.02 0.00 0.00 41.25 39.03 2vb5 s ASN 83 CO -0.09 -0.48 -0.25 -2.28 -2.57 0.00 0.00 177.10 171.43 2vb5 s HIS 84 N 1.63 2.26 0.41 2.20 2.46 -1.26 -0.76 115.29 122.23 2vb5 s HIS 84 Ca 0.04 -0.37 0.11 0.00 0.47 0.00 0.00 55.06 55.31 2vb5 s HIS 84 Cb -0.20 -1.16 0.92 0.00 -0.13 0.00 0.00 32.58 32.01 2vb5 s HIS 84 CO 0.08 0.43 1.96 -0.24 -2.47 0.00 0.00 174.74 174.50 2vb5 h VAL 85 N 3.46 0.93 -0.60 0.89 3.04 -1.93 -1.10 116.25 120.94 2vb5 h VAL 85 Ca -0.48 -0.18 -0.05 0.00 -1.01 0.00 0.00 66.70 64.98 2vb5 h VAL 85 Cb 1.19 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.79 2vb5 h VAL 85 CO 0.45 0.10 0.18 0.71 -1.01 0.00 0.00 177.57 177.99 2vb5 h THR 86 N 0.54 1.23 -3.47 3.17 1.35 -1.91 -3.43 112.91 110.40 2vb5 h THR 86 Ca 0.30 -0.81 -0.54 0.00 -0.55 0.00 0.00 66.41 64.82 2vb5 h THR 86 Cb 0.47 0.58 -0.03 0.00 -1.73 0.00 0.00 68.15 67.44 2vb5 h THR 86 CO -0.10 0.31 0.18 -0.76 -0.25 0.00 0.00 175.52 174.90 2vb5 s LEU 87 N -9.43 4.50 -0.07 3.87 1.43 -0.42 -4.99 118.68 113.57 2vb5 s LEU 87 Ca -0.10 1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 54.32 2vb5 s LEU 87 Cb 0.16 -3.27 -0.17 0.00 0.03 0.00 0.00 46.19 42.94 2vb5 s LEU 87 CO 0.81 0.08 0.79 0.77 0.23 0.00 0.00 176.35 179.03 2vb5 h SER 88 N 5.17 -0.11 -3.17 2.29 4.64 -1.83 -3.42 113.55 117.12 2vb5 h SER 88 Ca -0.45 -0.47 -0.55 0.00 -0.47 0.00 0.00 61.79 59.85 2vb5 h SER 88 Cb 1.21 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 2vb5 h SER 88 CO 0.69 0.53 -0.25 -1.10 -0.87 0.00 0.00 176.83 175.83 2vb5 s GLN 89 N -3.03 3.64 0.04 4.77 -0.21 -1.26 -5.06 119.66 118.55 2vb5 s GLN 89 Ca -0.13 -0.05 -0.31 0.00 0.02 0.00 0.00 55.36 54.90 2vb5 s GLN 89 Cb -0.00 -2.77 -0.07 0.00 1.00 0.00 0.00 33.01 31.17 2vb5 s GLN 89 CO 0.49 0.38 1.47 -1.25 -2.12 0.00 0.00 175.29 174.26 2vb5 s PRO 90 N -2.96 4.26 -0.73 2.91 0.04 -1.26 -4.86 135.00 132.41 2vb5 s PRO 90 Ca 0.42 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.34 2vb5 s PRO 90 Cb -0.11 -3.52 0.09 0.00 0.04 0.00 0.00 34.50 31.00 2vb5 s PRO 90 CO 0.26 -0.59 0.97 0.21 0.04 0.00 0.00 177.00 177.88 2vb5 s LYS 91 N 2.22 3.25 -0.83 4.56 2.36 -1.13 -4.91 119.74 125.27 2vb5 s LYS 91 Ca 0.67 -1.20 -0.25 0.00 -2.55 0.00 0.00 55.97 52.64 2vb5 s LYS 91 Cb -0.35 -4.44 0.01 0.00 -1.05 0.00 0.00 37.83 32.00 2vb5 s LYS 91 CO 0.29 -1.76 1.59 0.42 1.55 0.00 0.00 175.35 177.43 2vb5 s ILE 92 N 3.42 3.65 0.61 5.43 -1.09 -1.26 -1.51 121.20 130.44 2vb5 s ILE 92 Ca 0.24 -0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.36 2vb5 s ILE 92 Cb -0.14 -4.57 -0.03 0.00 -1.58 0.00 0.00 42.46 36.14 2vb5 s ILE 92 CO 0.04 -1.50 1.09 -0.69 -1.23 0.00 0.00 174.94 172.64 2vb5 s VAL 93 N 7.10 3.49 -0.20 2.92 1.01 -0.71 -4.99 120.40 129.02 2vb5 s VAL 93 Ca 0.52 0.74 0.01 0.00 0.00 0.00 0.00 61.98 63.25 2vb5 s VAL 93 Cb -0.06 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.09 2vb5 s VAL 93 CO 0.06 -0.39 -0.15 -0.54 0.00 0.00 0.00 175.10 174.07 2vb5 s LYS 94 N -3.95 2.53 -0.32 2.72 1.02 -1.26 -3.77 119.74 116.72 2vb5 s LYS 94 Ca 0.66 -0.91 -0.40 0.00 0.02 0.00 0.00 55.97 55.35 2vb5 s LYS 94 Cb -0.19 -2.54 -0.15 0.00 -0.52 0.00 0.00 37.83 34.43 2vb5 s LYS 94 CO 0.37 -0.34 1.85 1.87 -0.92 0.00 0.00 175.35 178.19 2vb5 n TRP 95 N 4.61 1.90 -2.53 3.18 -0.00 -0.91 -4.93 117.44 118.77 2vb5 n TRP 95 Ca -0.18 0.53 -0.42 0.00 -0.00 0.00 0.00 57.50 57.43 2vb5 n TRP 95 Cb 0.48 -2.45 -0.03 0.00 -0.00 0.00 0.00 31.31 29.31 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 4.42 7.12 -0.02 5.87 3.68 -1.26 -4.93 116.67 131.55 2vb5 s ASP 96 Ca 1.02 1.75 0.00 0.00 2.13 0.00 0.00 52.55 57.46 2vb5 s ASP 96 Cb -1.08 -2.56 0.04 0.00 -1.45 0.00 0.00 42.92 37.86 2vb5 s ASP 96 CO 0.64 -0.53 0.91 -2.11 0.13 0.00 0.00 175.17 174.21 2vb5 n ARG 97 N 5.01 1.10 -2.87 4.34 1.85 -1.26 -4.50 116.66 120.32 2vb5 n ARG 97 Ca 0.10 -0.15 -0.43 0.00 -1.00 0.00 0.00 57.85 56.37 2vb5 n ARG 97 Cb 0.47 -1.19 0.01 0.00 -1.05 0.00 0.00 32.46 30.70 2vb5 n ARG 97 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2vb5 n ASP 98 N 0.31 6.17 0.00 2.89 2.03 -1.26 -4.93 116.55 121.76 2vb5 n ASP 98 Ca 0.03 -3.35 0.00 0.00 0.52 0.00 0.00 54.79 51.98 2vb5 n ASP 98 Cb 0.49 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 2vb5 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08