#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vj6 s LYS 9 N 0.00 2.17 -0.76 0.03 1.02 -1.26 -5.04 119.74 115.90 1vj6 s LYS 9 Ca 0.00 -2.37 -0.25 0.00 0.02 0.00 0.00 55.97 53.37 1vj6 s LYS 9 Cb 0.00 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.71 1vj6 s LYS 9 CO 0.00 -0.33 2.00 -2.14 -0.92 0.00 0.00 175.35 173.96 1vj6 s PRO 10 N -3.86 2.44 0.00 -1.68 0.02 -1.26 -3.90 135.00 126.75 1vj6 s PRO 10 Ca 0.09 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.34 1vj6 s PRO 10 Cb 0.02 -4.77 0.00 0.00 0.02 0.00 0.00 34.50 29.78 1vj6 s PRO 10 CO 0.05 -3.27 0.00 0.41 -0.33 0.00 0.00 177.00 173.86 1vj6 n GLY 11 N 6.39 -0.08 3.31 0.52 0.00 -1.26 -3.90 105.19 110.17 1vj6 n GLY 11 Ca 0.34 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 1vj6 n GLY 11 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vj6 s ASP 12 N 0.00 2.32 -0.07 1.61 -4.77 -1.25 -4.65 116.67 109.85 1vj6 s ASP 12 Ca 0.00 -1.01 -0.30 0.00 -3.30 0.00 0.00 52.55 47.94 1vj6 s ASP 12 Cb 0.00 -0.10 -0.02 0.00 -1.09 0.00 0.00 42.92 41.71 1vj6 s ASP 12 CO 0.00 -0.22 1.07 0.42 0.70 0.00 0.00 175.17 177.15 1vj6 s THR 13 N -3.04 4.59 -0.14 2.11 -4.23 -1.26 -4.10 115.64 109.58 1vj6 s THR 13 Ca 0.20 1.88 0.02 0.00 -1.18 0.00 0.00 61.69 62.60 1vj6 s THR 13 Cb 0.00 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.64 1vj6 s THR 13 CO 0.05 0.02 -0.19 0.72 -0.54 0.00 0.00 174.62 174.68 1vj6 s PHE 14 N 1.95 2.71 -1.04 3.99 -0.71 -0.92 -5.02 117.98 118.95 1vj6 s PHE 14 Ca 0.51 -1.13 -0.03 0.00 -1.04 0.00 0.00 56.93 55.24 1vj6 s PHE 14 Cb -0.21 -1.84 0.31 0.00 -1.21 0.00 0.00 43.02 40.08 1vj6 s PHE 14 CO 0.20 -0.50 1.54 0.39 -1.34 0.00 0.00 175.22 175.51 1vj6 n GLU 15 N 3.96 4.65 -2.49 1.99 1.02 -1.26 -2.14 120.64 126.38 1vj6 n GLU 15 Ca -0.19 -4.60 -0.43 0.00 -0.02 0.00 0.00 57.16 51.92 1vj6 n GLU 15 Cb 0.52 -2.48 -0.02 0.00 -0.02 0.00 0.00 31.44 29.43 1vj6 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1vj6 s VAL 16 N -3.24 4.15 -0.28 2.62 1.01 -0.13 -4.66 120.40 119.88 1vj6 s VAL 16 Ca 0.34 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 1vj6 s VAL 16 Cb 0.10 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1vj6 s VAL 16 CO 0.04 -0.69 0.50 -0.70 0.00 0.00 0.00 175.10 174.24 1vj6 s GLU 17 N 4.36 3.96 0.21 2.72 2.12 -1.26 0.50 118.70 131.30 1vj6 s GLU 17 Ca 0.54 0.17 -0.04 0.00 0.36 0.00 0.00 54.97 56.00 1vj6 s GLU 17 Cb -0.13 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1vj6 s GLU 17 CO 0.27 -0.41 0.20 -0.48 -0.54 0.00 0.00 175.26 174.30 1vj6 s LEU 18 N 2.30 1.01 0.11 2.70 2.34 -0.95 -4.99 118.68 121.20 1vj6 s LEU 18 Ca 0.20 -1.27 0.07 0.00 0.06 0.00 0.00 54.13 53.19 1vj6 s LEU 18 Cb -0.16 0.68 -0.04 0.00 -0.56 0.00 0.00 46.19 46.11 1vj6 s LEU 18 CO 0.10 -0.90 -0.11 0.00 -1.06 0.00 0.00 176.35 174.39 1vj6 s ALA 19 N -4.12 2.93 0.79 1.48 0.00 -1.26 -0.85 121.76 120.72 1vj6 s ALA 19 Ca 0.34 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 1vj6 s ALA 19 Cb 0.05 -0.86 0.12 0.00 0.00 0.00 0.00 23.12 22.43 1vj6 s ALA 19 CO 0.11 0.63 1.11 0.15 0.00 0.00 0.00 175.76 177.76 1vj6 s LYS 20 N -2.23 1.59 -0.39 0.00 3.01 -1.24 -4.86 119.74 115.62 1vj6 s LYS 20 Ca 0.21 -0.48 -0.05 0.00 -1.01 0.00 0.00 55.97 54.64 1vj6 s LYS 20 Cb -0.11 -2.10 0.09 0.00 -1.01 0.00 0.00 37.83 34.70 1vj6 s LYS 20 CO 0.13 -1.66 0.19 -0.08 0.51 0.00 0.00 175.35 174.44 1vj6 s THR 21 N -3.44 3.60 -0.67 2.17 -1.32 0.31 -4.82 115.64 111.47 1vj6 s THR 21 Ca 0.66 -1.67 -0.07 0.00 -1.21 0.00 0.00 61.69 59.41 1vj6 s THR 21 Cb -0.07 -3.28 0.01 0.00 -1.51 0.00 0.00 72.50 67.64 1vj6 s THR 21 CO 0.47 -0.50 0.45 -0.67 -2.21 0.00 0.00 174.62 172.16 1vj6 n ASP 22 N 4.73 -3.32 -2.27 8.08 2.03 -1.26 -2.82 116.55 121.72 1vj6 n ASP 22 Ca -0.07 -0.77 -0.10 0.00 0.52 0.00 0.00 54.79 54.36 1vj6 n ASP 22 Cb 0.42 -1.14 0.05 0.00 -0.72 0.00 0.00 41.12 39.73 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 23 N -1.44 0.04 3.16 0.27 0.00 -1.26 -5.03 105.19 100.93 1vj6 n GLY 23 Ca -0.20 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1vj6 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vj6 s SER 24 N -3.63 -0.27 0.05 1.61 0.01 -1.13 -5.01 113.70 105.34 1vj6 s SER 24 Ca 0.05 0.19 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 1vj6 s SER 24 Cb -0.02 1.24 -0.13 0.00 0.21 0.00 0.00 66.02 67.32 1vj6 s SER 24 CO 0.39 -0.05 1.37 -0.07 0.41 0.00 0.00 173.24 175.29 1vj6 h LEU 25 N 7.91 0.45 0.00 2.44 3.38 -1.93 0.90 115.31 128.46 1vj6 h LEU 25 Ca -0.12 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1vj6 h LEU 25 Cb 1.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1vj6 h LEU 25 CO -0.14 0.83 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1vj6 n GLY 26 N 0.16 0.82 3.20 0.83 0.00 -1.26 -0.22 105.19 108.72 1vj6 n GLY 26 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1vj6 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vj6 s ILE 27 N -1.33 1.49 -0.16 -0.61 -4.36 -1.26 -2.98 121.20 111.98 1vj6 s ILE 27 Ca 0.00 -0.93 -0.20 0.00 -0.26 0.00 0.00 60.65 59.26 1vj6 s ILE 27 Cb 0.00 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.41 1vj6 s ILE 27 CO 0.00 0.31 0.56 -0.44 0.24 0.00 0.00 174.94 175.62 1vj6 s SER 28 N -0.72 6.68 0.29 4.36 0.01 -0.99 -5.01 113.70 118.32 1vj6 s SER 28 Ca 0.07 0.82 -0.15 0.00 1.31 0.00 0.00 55.95 57.99 1vj6 s SER 28 Cb -0.08 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 1vj6 s SER 28 CO 0.00 -0.15 0.71 0.68 0.41 0.00 0.00 173.24 174.89 1vj6 s VAL 29 N 1.36 4.69 0.21 3.43 -7.23 -1.26 -0.13 120.40 121.46 1vj6 s VAL 29 Ca 0.28 0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 61.29 1vj6 s VAL 29 Cb -0.16 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 1vj6 s VAL 29 CO 0.11 -0.09 0.38 0.28 -0.31 0.00 0.00 175.10 175.47 1vj6 s THR 30 N -1.87 0.03 0.00 5.32 -1.32 0.23 -4.70 115.64 113.33 1vj6 s THR 30 Ca 0.51 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1vj6 s THR 30 Cb -0.12 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1vj6 s THR 30 CO 0.18 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1vj6 n GLY 31 N -0.31 0.75 0.00 6.08 0.00 -1.26 -0.10 105.19 110.35 1vj6 n GLY 31 Ca -0.04 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1vj6 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLY 32 N 0.00 1.60 0.39 -0.02 0.00 -0.79 -4.44 105.19 101.92 1vj6 n GLY 32 Ca 0.00 -1.98 0.19 0.00 0.00 0.00 0.00 46.02 44.23 1vj6 n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vj6 h VAL 33 N 0.00 0.59 -0.93 1.61 2.07 -1.53 -2.89 116.25 115.16 1vj6 h VAL 33 Ca 0.00 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.45 1vj6 h VAL 33 Cb 0.00 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 29.73 1vj6 h VAL 33 CO 0.00 0.09 0.57 -0.55 0.02 0.00 0.00 177.57 177.70 1vj6 h ASN 34 N 0.50 0.83 0.19 0.57 -1.07 -1.83 -1.78 115.58 113.00 1vj6 h ASN 34 Ca 0.58 0.05 0.00 0.00 0.07 0.00 0.00 56.30 57.00 1vj6 h ASN 34 Cb 1.29 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 1vj6 h ASN 34 CO -0.32 0.46 -0.43 1.07 0.07 0.00 0.00 177.43 178.28 1vj6 n THR 35 N -4.66 0.00 -2.43 6.14 5.66 -1.10 -5.01 114.28 112.88 1vj6 n THR 35 Ca 0.17 -0.13 -0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1vj6 n THR 35 Cb 0.31 0.65 -0.00 0.00 -1.55 0.00 0.00 70.33 69.74 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1vj6 n SER 36 N -0.72 -6.18 -0.29 1.09 7.64 -0.67 -5.06 113.62 109.43 1vj6 n SER 36 Ca 0.09 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1vj6 n SER 36 Cb 0.37 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1vj6 n VAL 37 N 0.61 0.00 -2.90 0.44 0.24 -1.22 -4.95 118.33 110.55 1vj6 n VAL 37 Ca -0.03 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.84 1vj6 n VAL 37 Cb 0.04 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.38 1vj6 n VAL 37 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1vj6 s ARG 38 N 3.12 3.53 0.00 7.34 3.52 -1.26 -4.73 118.95 130.47 1vj6 s ARG 38 Ca 0.00 -1.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.00 1vj6 s ARG 38 Cb 0.00 -4.85 0.00 0.00 -1.56 0.00 0.00 34.95 28.54 1vj6 s ARG 38 CO 0.00 -1.80 0.00 0.72 -0.81 0.00 0.00 175.30 173.41 1vj6 n HIS 39 N 6.84 0.00 -3.19 5.12 8.25 -1.26 -4.48 115.22 126.51 1vj6 n HIS 39 Ca 0.21 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.71 1vj6 n HIS 39 Cb 0.49 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1vj6 s GLY 40 N 0.00 0.21 0.00 -1.41 0.00 -1.26 -4.58 107.32 100.27 1vj6 s GLY 40 Ca 0.00 3.56 0.00 0.00 0.00 0.00 0.00 44.72 48.28 1vj6 s GLY 40 CO 0.00 3.47 0.00 0.61 0.00 0.00 0.00 173.10 177.18 1vj6 n GLY 41 N 4.72 1.11 3.75 0.20 0.00 -1.20 -4.30 105.19 109.47 1vj6 n GLY 41 Ca -0.07 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1vj6 n GLY 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vj6 s ILE 42 N -2.00 4.16 0.16 -0.61 1.10 -1.00 -1.89 121.20 121.12 1vj6 s ILE 42 Ca 0.00 -1.36 0.04 0.00 -0.51 0.00 0.00 60.65 58.82 1vj6 s ILE 42 Cb 0.00 -3.16 -0.05 0.00 0.15 0.00 0.00 42.46 39.40 1vj6 s ILE 42 CO 0.00 -0.21 -0.08 -0.31 -2.11 0.00 0.00 174.94 172.23 1vj6 s TYR 43 N -1.92 1.31 -0.06 3.50 1.51 0.86 0.27 117.35 122.81 1vj6 s TYR 43 Ca 0.31 -0.80 -0.17 0.00 -1.01 0.00 0.00 57.07 55.39 1vj6 s TYR 43 Cb -0.09 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 1vj6 s TYR 43 CO 0.22 0.05 0.47 0.08 -1.11 0.00 0.00 175.55 175.26 1vj6 s VAL 44 N -3.36 5.08 -0.14 0.71 1.01 -0.39 -0.60 120.40 122.71 1vj6 s VAL 44 Ca 0.19 0.96 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 1vj6 s VAL 44 Cb 0.03 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1vj6 s VAL 44 CO 0.02 0.43 0.06 0.50 0.00 0.00 0.00 175.10 176.10 1vj6 h LYS 45 N 5.86 0.00 -3.61 2.72 1.63 -0.81 -3.22 116.57 119.14 1vj6 h LYS 45 Ca -0.45 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.02 1vj6 h LYS 45 Cb 1.19 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.48 1vj6 h LYS 45 CO 0.70 0.27 -0.74 0.00 -3.45 0.00 0.00 179.45 176.23 1vj6 s ALA 46 N -2.55 0.21 -0.22 5.00 0.00 -1.24 -4.59 121.76 118.37 1vj6 s ALA 46 Ca -0.12 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 1vj6 s ALA 46 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1vj6 s ALA 46 CO 0.26 -0.12 0.53 0.42 0.00 0.00 0.00 175.76 176.85 1vj6 s ILE 47 N 1.12 5.09 0.21 0.00 -1.09 -1.26 -2.35 121.20 122.91 1vj6 s ILE 47 Ca -0.08 0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 1vj6 s ILE 47 Cb -0.13 -3.85 -0.09 0.00 -1.58 0.00 0.00 42.46 36.81 1vj6 s ILE 47 CO -0.02 0.14 1.39 -0.63 -1.23 0.00 0.00 174.94 174.59 1vj6 s ILE 48 N 1.86 2.96 -0.84 2.92 1.01 -1.16 -4.92 121.20 123.03 1vj6 s ILE 48 Ca 0.23 0.78 -0.25 0.00 0.00 0.00 0.00 60.65 61.41 1vj6 s ILE 48 Cb -0.15 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 1vj6 s ILE 48 CO 0.09 0.11 2.01 -2.16 0.00 0.00 0.00 174.94 174.99 1vj6 s PRO 49 N -0.03 2.43 -0.27 2.79 0.04 -1.26 -3.73 135.00 134.97 1vj6 s PRO 49 Ca 0.59 -0.04 -0.08 0.00 0.04 0.00 0.00 61.00 61.51 1vj6 s PRO 49 Cb -0.39 -4.93 0.01 0.00 0.04 0.00 0.00 34.50 29.23 1vj6 s PRO 49 CO 0.39 -3.44 0.35 1.63 0.04 0.00 0.00 177.00 175.97 1vj6 n LYS 50 N 8.89 -1.31 0.00 4.56 4.76 -1.26 -5.12 118.16 128.69 1vj6 n LYS 50 Ca 0.39 1.40 0.00 0.00 -2.87 0.00 0.00 58.31 57.22 1vj6 n LYS 50 Cb 0.47 -3.92 0.00 0.00 -1.84 0.00 0.00 35.03 29.74 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 51 N -0.51 1.08 0.14 0.72 0.00 -1.24 -5.04 105.19 100.33 1vj6 n GLY 51 Ca 0.06 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1vj6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 n ALA 52 N -3.00 0.98 -0.03 4.61 0.00 0.70 -4.34 120.51 119.42 1vj6 n ALA 52 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 1vj6 n ALA 52 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 1vj6 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vj6 h ALA 53 N 0.13 0.13 -0.21 0.00 0.00 -1.23 -2.73 119.26 115.35 1vj6 h ALA 53 Ca -0.43 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.31 1vj6 h ALA 53 Cb 2.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1vj6 h ALA 53 CO 0.07 -0.13 0.15 1.49 0.00 0.00 0.00 179.25 180.82 1vj6 h GLU 54 N -0.14 0.06 0.00 0.00 4.81 -1.81 -1.35 114.58 116.14 1vj6 h GLU 54 Ca 0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vj6 h GLU 54 Cb 0.43 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1vj6 h GLU 54 CO 0.01 0.04 0.00 0.45 -0.73 0.00 0.00 179.01 178.78 1vj6 n SER 55 N -4.49 0.00 0.00 1.04 2.88 -1.03 -2.79 113.62 109.23 1vj6 n SER 55 Ca 0.02 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 1vj6 n SER 55 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1vj6 n SER 55 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1vj6 n ASP 56 N -0.80 0.00 0.00 -3.46 2.03 -0.51 -5.04 116.55 108.77 1vj6 n ASP 56 Ca 0.08 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1vj6 n ASP 56 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1vj6 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 57 N -0.30 0.93 0.14 0.27 0.00 -1.12 -5.03 105.19 100.09 1vj6 n GLY 57 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1vj6 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1vj6 h ARG 58 N 0.00 0.37 -6.46 1.61 3.08 -1.90 -3.49 114.38 107.59 1vj6 h ARG 58 Ca 0.00 -0.63 -0.60 0.00 0.07 0.00 0.00 59.98 58.82 1vj6 h ARG 58 Cb 0.00 0.23 0.06 0.00 0.08 0.00 0.00 29.97 30.34 1vj6 h ARG 58 CO 0.00 1.30 0.71 -0.89 -1.07 0.00 0.00 179.97 180.02 1vj6 n ILE 59 N -3.57 0.04 -4.54 2.04 5.41 -1.26 -5.01 119.36 112.47 1vj6 n ILE 59 Ca -0.26 -0.01 -0.26 0.00 1.00 0.00 0.00 62.75 63.22 1vj6 n ILE 59 Cb 1.07 -1.37 -0.09 0.00 -0.71 0.00 0.00 39.64 38.54 1vj6 n ILE 59 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1vj6 s HIS 60 N 0.77 1.89 -0.21 1.39 2.46 -1.26 -4.94 115.29 115.39 1vj6 s HIS 60 Ca 0.80 -1.10 -0.01 0.00 0.47 0.00 0.00 55.06 55.21 1vj6 s HIS 60 Cb -0.74 -1.30 0.12 0.00 -0.13 0.00 0.00 32.58 30.53 1vj6 s HIS 60 CO 0.40 -0.08 2.12 1.63 -2.47 0.00 0.00 174.74 176.34 1vj6 n LYS 61 N -0.90 1.58 -1.51 2.88 5.02 -1.26 -3.55 118.16 120.43 1vj6 n LYS 61 Ca -0.07 -1.08 -0.00 0.00 -2.02 0.00 0.00 58.31 55.14 1vj6 n LYS 61 Cb 0.66 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 34.22 1vj6 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vj6 n GLY 62 N 0.84 -0.55 3.87 0.72 0.00 -1.22 -4.73 105.19 104.13 1vj6 n GLY 62 Ca 0.22 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1vj6 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 63 N -0.15 5.85 -0.15 1.61 1.01 -1.23 -4.11 116.67 119.50 1vj6 s ASP 63 Ca 0.01 -0.08 -0.10 0.00 0.71 0.00 0.00 52.55 53.09 1vj6 s ASP 63 Cb 0.05 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.33 1vj6 s ASP 63 CO -0.02 -0.01 0.19 -0.60 0.21 0.00 0.00 175.17 174.94 1vj6 s ARG 64 N -3.62 3.94 -0.41 8.23 3.52 -0.04 -1.26 118.95 129.30 1vj6 s ARG 64 Ca 0.33 -0.08 -0.17 0.00 -0.13 0.00 0.00 55.73 55.68 1vj6 s ARG 64 Cb -0.09 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1vj6 s ARG 64 CO 0.26 0.47 0.42 0.08 -0.81 0.00 0.00 175.30 175.72 1vj6 s VAL 65 N -0.18 5.11 -0.13 7.11 1.01 0.14 -0.47 120.40 133.00 1vj6 s VAL 65 Ca 0.13 -0.34 0.17 0.00 0.00 0.00 0.00 61.98 61.94 1vj6 s VAL 65 Cb -0.12 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 1vj6 s VAL 65 CO 0.02 -0.38 0.41 0.00 0.00 0.00 0.00 175.10 175.16 1vj6 n LEU 66 N 5.53 0.38 -3.62 3.92 -0.00 0.39 -2.37 117.00 121.23 1vj6 n LEU 66 Ca -0.08 0.17 -0.11 0.00 -0.00 0.00 0.00 56.01 56.00 1vj6 n LEU 66 Cb 0.47 0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 44.13 1vj6 n LEU 66 CO 0.45 0.34 0.18 0.00 -0.00 0.00 0.00 177.39 178.36 1vj6 s ALA 67 N -2.73 -0.98 -0.05 1.47 0.00 -1.00 -1.59 121.76 116.86 1vj6 s ALA 67 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1vj6 s ALA 67 Cb 0.08 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.95 1vj6 s ALA 67 CO 0.83 -0.66 0.02 0.08 0.00 0.00 0.00 175.76 176.03 1vj6 s VAL 68 N -3.80 0.18 -0.93 0.00 1.01 0.48 -0.66 120.40 116.68 1vj6 s VAL 68 Ca 0.03 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1vj6 s VAL 68 Cb 0.02 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.12 1vj6 s VAL 68 CO -0.12 0.21 0.30 -0.46 0.00 0.00 0.00 175.10 175.03 1vj6 n ASN 69 N 5.01 -2.08 0.00 3.32 6.94 0.62 -0.09 115.26 128.98 1vj6 n ASN 69 Ca -0.09 -0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 1vj6 n ASN 69 Cb 0.50 -1.82 0.00 0.00 -2.36 0.00 0.00 39.78 36.10 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vj6 n GLY 70 N -0.85 0.73 3.09 4.83 0.00 -1.26 -4.95 105.19 106.78 1vj6 n GLY 70 Ca 0.02 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1vj6 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vj6 s VAL 71 N -2.00 3.08 0.43 1.61 1.01 0.88 -5.09 120.40 120.32 1vj6 s VAL 71 Ca 0.00 -2.26 -0.26 0.00 0.00 0.00 0.00 61.98 59.46 1vj6 s VAL 71 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 1vj6 s VAL 71 CO 0.00 -0.70 1.39 -0.94 0.00 0.00 0.00 175.10 174.85 1vj6 s SER 72 N 1.43 6.06 -0.17 3.32 1.04 -1.26 -0.39 113.70 123.72 1vj6 s SER 72 Ca 0.10 2.84 0.01 0.00 0.48 0.00 0.00 55.95 59.38 1vj6 s SER 72 Cb -0.22 -2.65 0.24 0.00 0.10 0.00 0.00 66.02 63.49 1vj6 s SER 72 CO -0.05 -1.04 1.39 0.18 0.98 0.00 0.00 173.24 174.70 1vj6 n LEU 73 N -0.03 4.50 -4.55 2.42 4.77 -0.62 -4.80 117.00 118.68 1vj6 n LEU 73 Ca 0.04 -2.33 -0.37 0.00 -0.03 0.00 0.00 56.01 53.32 1vj6 n LEU 73 Cb 0.42 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1vj6 n LEU 73 CO 0.58 0.74 1.47 -0.70 -1.33 0.00 0.00 177.39 178.14 1vj6 s GLU 74 N -1.22 2.78 0.00 3.23 2.56 -1.26 -1.82 118.70 122.97 1vj6 s GLU 74 Ca 0.21 0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.34 1vj6 s GLU 74 Cb 0.18 -4.54 0.00 0.00 2.00 0.00 0.00 34.13 31.76 1vj6 s GLU 74 CO 0.04 -2.71 0.00 0.41 -0.56 0.00 0.00 175.26 172.43 1vj6 n GLY 75 N 5.94 0.67 3.84 -1.50 0.00 -1.26 -5.06 105.19 107.82 1vj6 n GLY 75 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1vj6 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 s ALA 76 N -2.00 3.68 0.00 4.61 0.00 -0.76 -4.90 121.76 122.39 1vj6 s ALA 76 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1vj6 s ALA 76 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1vj6 s ALA 76 CO 0.00 0.48 0.00 0.25 0.00 0.00 0.00 175.76 176.49 1vj6 n THR 77 N 1.63 0.00 0.15 0.00 -2.24 -1.26 -1.66 114.28 110.90 1vj6 n THR 77 Ca -0.12 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1vj6 n THR 77 Cb 0.52 -0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 67.77 1vj6 n THR 77 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1vj6 h HIS 78 N 0.03 -0.33 -0.30 4.78 2.76 -1.92 -0.66 115.15 119.52 1vj6 h HIS 78 Ca 0.00 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1vj6 h HIS 78 Cb 0.00 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1vj6 h HIS 78 CO 0.00 -0.07 0.01 0.87 -1.30 0.00 0.00 177.93 177.44 1vj6 h LYS 79 N -0.55 0.52 -0.65 5.26 1.57 -1.97 -2.37 116.57 118.38 1vj6 h LYS 79 Ca -0.04 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1vj6 h LYS 79 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1vj6 h LYS 79 CO 0.06 0.66 0.39 1.96 -0.57 0.00 0.00 179.45 181.95 1vj6 h GLN 80 N 0.32 0.89 -0.88 3.15 1.08 -1.93 -2.52 115.11 115.22 1vj6 h GLN 80 Ca 0.09 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1vj6 h GLN 80 Cb 0.42 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 1vj6 h GLN 80 CO 0.01 0.65 0.48 0.00 -0.95 0.00 0.00 178.83 179.02 1vj6 h ALA 81 N 1.20 1.13 -0.16 3.87 0.00 -1.05 -0.58 119.26 123.67 1vj6 h ALA 81 Ca 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1vj6 h ALA 81 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1vj6 h ALA 81 CO -0.04 0.65 0.08 0.28 0.00 0.00 0.00 179.25 180.22 1vj6 h VAL 82 N 1.24 1.00 -0.55 0.00 2.07 -1.21 -1.94 116.25 116.87 1vj6 h VAL 82 Ca 0.31 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 1vj6 h VAL 82 Cb 0.04 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1vj6 h VAL 82 CO -0.05 0.03 0.18 -0.33 0.02 0.00 0.00 177.57 177.42 1vj6 h GLU 83 N 0.18 0.81 0.00 1.57 5.08 -1.27 -0.23 114.58 120.71 1vj6 h GLU 83 Ca 0.06 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1vj6 h GLU 83 Cb 0.01 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1vj6 h GLU 83 CO -0.04 0.70 -0.12 1.15 -1.00 0.00 0.00 179.01 179.70 1vj6 h THR 84 N 0.79 0.74 0.10 1.13 2.02 -0.76 0.43 112.91 117.37 1vj6 h THR 84 Ca 0.18 -0.47 -0.33 0.00 0.77 0.00 0.00 66.41 66.57 1vj6 h THR 84 Cb 0.22 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1vj6 h THR 84 CO -0.01 0.12 -1.76 -0.07 0.37 0.00 0.00 175.52 174.17 1vj6 h LEU 85 N 0.00 0.34 0.00 2.58 3.38 -0.85 -3.42 115.31 117.33 1vj6 h LEU 85 Ca -0.00 -0.85 -0.08 0.00 0.09 0.00 0.00 57.88 57.04 1vj6 h LEU 85 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1vj6 h LEU 85 CO 0.02 1.75 -1.06 -0.09 0.09 0.00 0.00 178.44 179.15 1vj6 h ARG 86 N -0.20 0.00 -0.94 1.13 1.12 -0.88 -3.34 114.38 111.27 1vj6 h ARG 86 Ca -0.39 0.00 -0.61 0.00 -1.11 0.00 0.00 59.98 57.87 1vj6 h ARG 86 Cb 1.85 0.00 -0.30 0.00 -0.01 0.00 0.00 29.97 31.51 1vj6 h ARG 86 CO 0.03 0.16 0.61 -1.71 -3.11 0.00 0.00 179.97 175.95 1vj6 n ASN 87 N -2.84 6.38 -2.37 -3.80 4.05 0.13 -4.96 115.26 111.85 1vj6 n ASN 87 Ca -0.03 -3.75 -0.04 0.00 0.45 0.00 0.00 54.58 51.20 1vj6 n ASN 87 Cb 0.68 -0.87 0.02 0.00 1.23 0.00 0.00 39.78 40.85 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1vj6 n THR 88 N -0.95 0.00 -2.94 -0.44 -2.24 -1.26 -4.97 114.28 101.48 1vj6 n THR 88 Ca 0.59 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.83 1vj6 n THR 88 Cb 0.91 -1.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.58 1vj6 n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vj6 n GLY 89 N 3.70 5.60 5.00 3.38 0.00 -1.26 -4.94 105.19 116.67 1vj6 n GLY 89 Ca 0.03 -2.72 0.00 0.00 0.00 0.00 0.00 46.02 43.33 1vj6 n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vj6 n GLN 90 N 0.12 0.00 -2.85 1.61 7.27 -1.26 -4.84 117.38 117.44 1vj6 n GLN 90 Ca 0.35 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.01 1vj6 n GLN 90 Cb 0.35 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.96 1vj6 n GLN 90 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1vj6 s VAL 91 N 0.00 4.79 -0.28 1.69 1.01 -1.26 -3.69 120.40 122.66 1vj6 s VAL 91 Ca 0.00 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.82 1vj6 s VAL 91 Cb 0.00 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1vj6 s VAL 91 CO 0.00 0.26 -0.06 -0.69 0.00 0.00 0.00 175.10 174.61 1vj6 s VAL 92 N 0.50 2.52 -0.65 2.92 1.01 -0.03 -4.93 120.40 121.74 1vj6 s VAL 92 Ca 0.45 -1.55 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1vj6 s VAL 92 Cb -0.21 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1vj6 s VAL 92 CO 0.25 -0.08 1.07 -1.00 0.00 0.00 0.00 175.10 175.34 1vj6 s HIS 93 N 1.16 2.59 -0.43 5.22 3.76 -1.26 -2.24 115.29 124.08 1vj6 s HIS 93 Ca -0.07 -0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 54.43 1vj6 s HIS 93 Cb -0.20 -4.35 0.02 0.00 1.11 0.00 0.00 32.58 29.16 1vj6 s HIS 93 CO -0.03 -1.69 0.77 -0.51 -0.85 0.00 0.00 174.74 172.43 1vj6 s LEU 94 N 4.59 4.24 -0.95 0.89 1.43 0.18 -0.28 118.68 128.79 1vj6 s LEU 94 Ca 0.30 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 1vj6 s LEU 94 Cb -0.12 -2.96 0.14 0.00 0.03 0.00 0.00 46.19 43.28 1vj6 s LEU 94 CO 0.15 -0.87 1.14 -0.22 0.23 0.00 0.00 176.35 176.78 1vj6 s LEU 95 N 3.22 5.12 0.05 1.79 0.20 0.17 -0.95 118.68 128.27 1vj6 s LEU 95 Ca 0.30 -2.13 0.01 0.00 0.69 0.00 0.00 54.13 52.99 1vj6 s LEU 95 Cb -0.12 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 43.20 1vj6 s LEU 95 CO 0.21 -1.02 0.11 -0.76 -0.29 0.00 0.00 176.35 174.60 1vj6 s LEU 96 N 2.51 3.97 -0.00 -0.68 1.43 -0.91 -0.46 118.68 124.54 1vj6 s LEU 96 Ca 0.33 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1vj6 s LEU 96 Cb -0.05 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1vj6 s LEU 96 CO -0.09 0.20 -0.06 -0.70 0.23 0.00 0.00 176.35 175.93 1vj6 s GLU 97 N -2.22 0.49 -1.52 1.70 2.12 0.38 -2.16 118.70 117.49 1vj6 s GLU 97 Ca 0.29 -0.25 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 1vj6 s GLU 97 Cb -0.12 -0.46 -0.01 0.00 0.26 0.00 0.00 34.13 33.79 1vj6 s GLU 97 CO 0.21 0.13 2.69 1.63 -0.54 0.00 0.00 175.26 179.38 1vj6 n LYS 98 N 2.83 3.79 0.00 4.30 4.76 -1.26 -0.87 118.16 131.71 1vj6 n LYS 98 Ca -0.14 -2.59 0.00 0.00 -2.87 0.00 0.00 58.31 52.71 1vj6 n LYS 98 Cb 0.58 -2.83 0.00 0.00 -1.84 0.00 0.00 35.03 30.93 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 99 N 3.20 0.95 0.00 0.72 0.00 -1.26 -4.10 105.19 104.71 1vj6 n GLY 99 Ca 0.70 0.46 0.00 0.00 0.00 0.00 0.00 46.02 47.18 1vj6 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLN 100 N 0.00 0.00 -2.90 1.61 10.64 -1.26 -4.90 117.38 120.56 1vj6 n GLN 100 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 1vj6 n GLN 100 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 1vj6 n GLN 100 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1vj6 s VAL 101 N 0.00 3.75 -2.00 -0.39 -7.23 -1.25 -4.10 120.40 109.18 1vj6 s VAL 101 Ca 0.00 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 1vj6 s VAL 101 Cb 0.00 -3.39 0.06 0.00 0.56 0.00 0.00 36.38 33.61 1vj6 s VAL 101 CO 0.00 -0.28 0.62 -2.65 -0.31 0.00 0.00 175.10 172.48