#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 1.81 0.17 0.03 1.02 -1.26 -5.11 119.74 116.40 1vj6 s LYS 9 Ca 0.00 -1.46 -0.31 0.00 0.02 0.00 0.00 55.97 54.21 1vj6 s LYS 9 Cb 0.00 -1.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.24 1vj6 s LYS 9 CO 0.00 0.40 1.51 -2.14 -0.92 0.00 0.00 175.35 174.20 1vj6 s PRO 10 N -2.95 4.24 -0.51 -1.68 0.02 -1.26 -3.70 135.00 129.16 1vj6 s PRO 10 Ca 0.25 2.30 -0.00 0.00 0.02 0.00 0.00 61.00 63.57 1vj6 s PRO 10 Cb -0.08 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.28 1vj6 s PRO 10 CO 0.13 -0.54 0.43 0.41 -0.33 0.00 0.00 177.00 177.10 1vj6 n GLY 11 N 3.40 0.09 3.68 0.52 0.00 -1.16 -5.00 105.19 106.71 1vj6 n GLY 11 Ca 0.12 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1vj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vj6 s ASP 12 N -3.56 7.10 0.27 1.61 2.15 -1.24 -4.70 116.67 118.31 1vj6 s ASP 12 Ca 0.01 1.60 -0.23 0.00 0.43 0.00 0.00 52.55 54.36 1vj6 s ASP 12 Cb -0.00 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 39.98 1vj6 s ASP 12 CO 0.31 -0.59 0.84 0.42 -0.17 0.00 0.00 175.17 175.98 1vj6 s THR 13 N 2.61 4.36 -0.01 1.71 -4.23 -1.26 -0.49 115.64 118.33 1vj6 s THR 13 Ca 0.51 1.60 0.01 0.00 -1.18 0.00 0.00 61.69 62.63 1vj6 s THR 13 Cb -0.20 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 1vj6 s THR 13 CO 0.16 0.20 0.00 -0.36 -0.54 0.00 0.00 174.62 174.08 1vj6 s PHE 14 N -1.54 3.09 -0.72 3.99 0.40 0.07 -4.97 117.98 118.30 1vj6 s PHE 14 Ca 0.46 0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.93 1vj6 s PHE 14 Cb -0.18 -1.69 0.20 0.00 0.51 0.00 0.00 43.02 41.86 1vj6 s PHE 14 CO 0.23 0.46 0.61 0.39 0.70 0.00 0.00 175.22 177.61 1vj6 n GLU 15 N 1.50 2.16 -3.43 0.44 1.02 -1.25 -1.65 120.64 119.43 1vj6 n GLU 15 Ca -0.15 -4.54 -0.42 0.00 -0.02 0.00 0.00 57.16 52.03 1vj6 n GLU 15 Cb 0.53 -2.30 -0.10 0.00 -0.02 0.00 0.00 31.44 29.55 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 -1.74 5.20 -0.08 2.62 1.01 -0.41 -4.86 120.40 122.14 1vj6 s VAL 16 Ca 0.29 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1vj6 s VAL 16 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1vj6 s VAL 16 CO -0.12 -0.20 -0.17 -1.83 0.00 0.00 0.00 175.10 172.78 1vj6 s GLU 17 N 1.89 2.81 0.35 2.72 1.03 -1.26 -0.04 118.70 126.20 1vj6 s GLU 17 Ca 0.09 -0.75 -0.17 0.00 0.03 0.00 0.00 54.97 54.17 1vj6 s GLU 17 Cb -0.17 -2.40 0.06 0.00 -0.80 0.00 0.00 34.13 30.81 1vj6 s GLU 17 CO 0.11 0.42 0.82 -0.48 -1.33 0.00 0.00 175.26 174.81 1vj6 s LEU 18 N -0.22 -0.01 -0.03 1.83 2.34 -0.78 -4.96 118.68 116.86 1vj6 s LEU 18 Ca -0.00 -1.05 0.07 0.00 0.06 0.00 0.00 54.13 53.21 1vj6 s LEU 18 Cb -0.13 2.74 -0.02 0.00 -0.56 0.00 0.00 46.19 48.22 1vj6 s LEU 18 CO 0.03 -1.58 -0.24 0.00 -1.06 0.00 0.00 176.35 173.50 1vj6 s ALA 19 N -2.38 2.24 0.23 1.48 0.00 -1.26 0.21 121.76 122.28 1vj6 s ALA 19 Ca 0.16 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 50.82 1vj6 s ALA 19 Cb -0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 23.12 22.35 1vj6 s ALA 19 CO 0.10 0.51 0.76 0.15 0.00 0.00 0.00 175.76 177.29 1vj6 s LYS 20 N -0.55 4.32 -0.54 0.00 3.01 -1.17 -4.91 119.74 119.91 1vj6 s LYS 20 Ca 0.08 0.95 -0.18 0.00 -1.01 0.00 0.00 55.97 55.82 1vj6 s LYS 20 Cb -0.11 -2.89 0.09 0.00 -1.01 0.00 0.00 37.83 33.92 1vj6 s LYS 20 CO -0.00 0.39 0.58 -0.08 0.51 0.00 0.00 175.35 176.75 1vj6 s THR 21 N -1.51 5.00 -1.09 2.17 -1.32 -0.68 -4.44 115.64 113.76 1vj6 s THR 21 Ca 0.44 -1.02 -0.21 0.00 -1.21 0.00 0.00 61.69 59.69 1vj6 s THR 21 Cb -0.17 -4.34 0.01 0.00 -1.51 0.00 0.00 72.50 66.48 1vj6 s THR 21 CO 0.22 -0.89 0.73 0.47 -2.21 0.00 0.00 174.62 172.94 1vj6 n ASP 22 N 5.82 -5.07 -2.88 8.08 9.92 -1.26 -3.41 116.55 127.75 1vj6 n ASP 22 Ca -0.10 -1.04 -0.13 0.00 -0.53 0.00 0.00 54.79 52.98 1vj6 n ASP 22 Cb 0.43 -2.74 0.07 0.00 -0.64 0.00 0.00 41.12 38.24 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vj6 n GLY 23 N -1.81 -0.18 3.09 0.44 0.00 -1.26 -5.00 105.19 100.47 1vj6 n GLY 23 Ca -0.12 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1vj6 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vj6 s SER 24 N -4.03 -0.94 0.01 1.61 0.15 -1.22 -4.97 113.70 104.31 1vj6 s SER 24 Ca 0.01 -0.08 -0.22 0.00 0.70 0.00 0.00 55.95 56.36 1vj6 s SER 24 Cb -0.01 1.45 -0.18 0.00 -1.71 0.00 0.00 66.02 65.58 1vj6 s SER 24 CO 0.56 -0.15 1.23 -0.07 1.20 0.00 0.00 173.24 176.02 1vj6 h LEU 25 N 7.10 0.34 0.00 3.45 3.38 -1.91 -1.81 115.31 125.86 1vj6 h LEU 25 Ca -0.04 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1vj6 h LEU 25 Cb 1.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1vj6 h LEU 25 CO 0.01 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1vj6 n GLY 26 N 0.51 1.01 3.14 0.83 0.00 -1.26 -0.52 105.19 108.90 1vj6 n GLY 26 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 1.69 -0.38 -0.61 -4.36 -1.26 -2.02 121.20 112.26 1vj6 s ILE 27 Ca 0.00 -0.80 -0.25 0.00 -0.26 0.00 0.00 60.65 59.33 1vj6 s ILE 27 Cb 0.00 -1.48 0.02 0.00 1.25 0.00 0.00 42.46 42.24 1vj6 s ILE 27 CO 0.00 0.48 0.91 -0.44 0.24 0.00 0.00 174.94 176.12 1vj6 s SER 28 N 0.47 6.64 -0.15 4.36 0.01 -0.47 -5.02 113.70 119.54 1vj6 s SER 28 Ca -0.17 0.49 -0.23 0.00 1.31 0.00 0.00 55.95 57.34 1vj6 s SER 28 Cb -0.17 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1vj6 s SER 28 CO 0.07 -0.87 0.72 0.68 0.41 0.00 0.00 173.24 174.25 1vj6 s VAL 29 N 3.46 4.98 0.30 3.43 -7.23 -1.26 -0.57 120.40 123.52 1vj6 s VAL 29 Ca 0.37 1.41 0.08 0.00 -1.81 0.00 0.00 61.98 62.04 1vj6 s VAL 29 Cb -0.12 -4.04 -0.06 0.00 0.56 0.00 0.00 36.38 32.73 1vj6 s VAL 29 CO 0.19 0.13 -0.09 0.28 -0.31 0.00 0.00 175.10 175.30 1vj6 s THR 30 N 1.62 1.99 0.00 5.32 -1.32 -0.60 -4.86 115.64 117.80 1vj6 s THR 30 Ca 0.35 -2.20 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 1vj6 s THR 30 Cb -0.17 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1vj6 s THR 30 CO 0.13 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1vj6 n GLY 31 N -0.66 0.55 0.00 6.08 0.00 -1.26 -0.51 105.19 109.39 1vj6 n GLY 31 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.94 0.13 -0.02 0.00 -0.91 -3.82 105.19 101.51 1vj6 n GLY 32 Ca 0.00 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.26 1vj6 n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1vj6 n VAL 33 N 1.13 1.08 -0.18 1.61 3.14 -0.36 -1.26 118.33 123.50 1vj6 n VAL 33 Ca 0.00 0.53 -0.10 0.00 -2.96 0.00 0.00 64.34 61.80 1vj6 n VAL 33 Cb 0.00 -1.49 0.02 0.00 -1.06 0.00 0.00 33.84 31.31 1vj6 n VAL 33 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1vj6 h ASN 34 N 0.00 1.03 0.59 6.55 -1.07 -1.82 -3.23 115.58 117.63 1vj6 h ASN 34 Ca 0.00 -0.35 -0.28 0.00 0.07 0.00 0.00 56.30 55.74 1vj6 h ASN 34 Cb 0.13 -0.28 -0.02 0.00 -2.07 0.00 0.00 38.32 36.08 1vj6 h ASN 34 CO 0.00 1.15 -1.44 0.74 0.07 0.00 0.00 177.43 177.95 1vj6 h THR 35 N 0.90 1.23 -2.81 6.14 2.02 -1.36 -3.50 112.91 115.54 1vj6 h THR 35 Ca 0.14 -2.93 0.00 0.00 0.77 0.00 0.00 66.41 64.39 1vj6 h THR 35 Cb 0.70 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1vj6 h THR 35 CO 0.05 0.80 0.00 -0.24 0.37 0.00 0.00 175.52 176.50 1vj6 n SER 36 N -3.36 -1.87 -3.60 4.18 2.88 -0.79 -5.03 113.62 106.03 1vj6 n SER 36 Ca -0.13 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.13 1vj6 n SER 36 Cb 1.02 -0.94 -0.09 0.00 -0.75 0.00 0.00 64.21 63.46 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1vj6 n VAL 37 N -0.18 2.34 0.00 2.46 0.24 -1.26 -4.84 118.33 117.09 1vj6 n VAL 37 Ca 0.00 -5.16 0.00 0.00 -2.04 0.00 0.00 64.34 57.14 1vj6 n VAL 37 Cb 0.00 -2.13 0.00 0.00 -1.47 0.00 0.00 33.84 30.24 1vj6 n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vj6 n ARG 38 N 1.21 0.00 0.00 7.34 1.74 -1.26 -4.10 116.66 121.59 1vj6 n ARG 38 Ca 0.27 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1vj6 n ARG 38 Cb 0.39 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1vj6 n HIS 39 N 0.00 0.00 0.00 -1.55 -0.00 -1.26 -5.16 115.22 107.25 1vj6 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1vj6 n HIS 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1vj6 n GLY 40 N 0.00 2.58 0.00 1.57 0.00 -1.26 -4.32 105.19 103.76 1vj6 n GLY 40 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1vj6 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLY 41 N 5.00 -2.38 3.74 -0.02 0.00 -0.47 -4.69 105.19 106.37 1vj6 n GLY 41 Ca 0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.32 3.42 0.11 -0.61 1.10 -0.61 -2.13 121.20 119.15 1vj6 s ILE 42 Ca 0.00 -1.66 0.01 0.00 -0.51 0.00 0.00 60.65 58.49 1vj6 s ILE 42 Cb 0.00 -3.04 -0.04 0.00 0.15 0.00 0.00 42.46 39.53 1vj6 s ILE 42 CO 0.00 -0.25 -0.02 -0.31 -2.11 0.00 0.00 174.94 172.25 1vj6 s TYR 43 N -2.34 0.86 -0.16 3.50 1.51 0.34 0.07 117.35 121.13 1vj6 s TYR 43 Ca 0.36 -1.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.18 1vj6 s TYR 43 Cb -0.05 -0.52 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1vj6 s TYR 43 CO 0.23 -0.29 0.58 0.08 -1.11 0.00 0.00 175.55 175.05 1vj6 s VAL 44 N -3.78 5.08 -0.15 0.71 1.01 -0.97 -1.55 120.40 120.74 1vj6 s VAL 44 Ca 0.15 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 63.03 1vj6 s VAL 44 Cb 0.07 -3.91 -0.20 0.00 0.00 0.00 0.00 36.38 32.34 1vj6 s VAL 44 CO -0.03 0.19 0.52 0.50 0.00 0.00 0.00 175.10 176.28 1vj6 h LYS 45 N 7.22 0.00 -3.75 2.72 1.63 -1.17 -3.16 116.57 120.06 1vj6 h LYS 45 Ca -0.35 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.14 1vj6 h LYS 45 Cb 1.16 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 32.47 1vj6 h LYS 45 CO 0.76 0.82 -0.74 0.00 -3.45 0.00 0.00 179.45 176.84 1vj6 s ALA 46 N -2.31 0.20 -0.24 5.00 0.00 -1.23 -4.68 121.76 118.50 1vj6 s ALA 46 Ca -0.18 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 1vj6 s ALA 46 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1vj6 s ALA 46 CO 0.55 -0.04 0.54 0.42 0.00 0.00 0.00 175.76 177.24 1vj6 s ILE 47 N 0.64 5.06 0.31 0.00 -1.09 -1.26 -1.37 121.20 123.49 1vj6 s ILE 47 Ca -0.06 0.96 -0.27 0.00 -2.23 0.00 0.00 60.65 59.05 1vj6 s ILE 47 Cb -0.09 -3.86 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 1vj6 s ILE 47 CO -0.01 0.11 1.02 0.27 -1.23 0.00 0.00 174.94 175.09 1vj6 s ILE 48 N 2.10 3.82 -0.44 2.92 -4.36 -0.86 -4.90 121.20 119.49 1vj6 s ILE 48 Ca 0.23 1.65 -0.28 0.00 -0.26 0.00 0.00 60.65 61.99 1vj6 s ILE 48 Cb -0.16 -3.98 -0.01 0.00 1.25 0.00 0.00 42.46 39.57 1vj6 s ILE 48 CO 0.09 0.26 1.70 -2.16 0.24 0.00 0.00 174.94 175.07 1vj6 s PRO 49 N -1.78 3.20 -0.70 0.37 0.04 -1.26 -3.39 135.00 131.49 1vj6 s PRO 49 Ca 0.48 1.03 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 1vj6 s PRO 49 Cb -0.25 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.05 1vj6 s PRO 49 CO 0.32 -2.02 0.63 1.63 0.04 0.00 0.00 177.00 177.59 1vj6 n LYS 50 N 8.57 -1.41 0.00 4.56 5.02 -1.26 -5.08 118.16 128.56 1vj6 n LYS 50 Ca 0.20 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 1vj6 n LYS 50 Cb 0.49 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vj6 n GLY 51 N -1.41 1.86 0.14 0.72 0.00 -1.22 -4.94 105.19 100.34 1vj6 n GLY 51 Ca -0.03 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 1vj6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 h ALA 52 N -1.05 -0.06 0.11 4.61 0.00 -1.23 -3.26 119.26 118.37 1vj6 h ALA 52 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1vj6 h ALA 52 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vj6 h ALA 52 CO 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 179.25 179.91 1vj6 h ALA 53 N 0.11 -0.14 -0.84 0.00 0.00 -1.12 -2.53 119.26 114.74 1vj6 h ALA 53 Ca -0.26 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1vj6 h ALA 53 Cb 2.03 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.82 1vj6 h ALA 53 CO 0.22 -0.43 0.53 1.49 0.00 0.00 0.00 179.25 181.06 1vj6 h GLU 54 N -0.45 0.96 0.00 0.00 4.81 -1.82 -2.41 114.58 115.67 1vj6 h GLU 54 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1vj6 h GLU 54 Cb 0.37 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1vj6 h GLU 54 CO 0.02 0.63 0.00 0.45 -0.73 0.00 0.00 179.01 179.39 1vj6 n SER 55 N -4.61 0.00 0.00 1.04 2.88 -1.11 -4.43 113.62 107.39 1vj6 n SER 55 Ca 0.11 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1vj6 n SER 55 Cb 0.14 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 -1.28 0.00 0.00 -3.46 2.03 -0.91 -5.02 116.55 107.91 1vj6 n ASP 56 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1vj6 n ASP 56 Cb 0.11 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 4.12 1.09 0.89 0.27 0.00 -1.26 -4.97 105.19 105.33 1vj6 n GLY 57 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1vj6 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vj6 n ARG 58 N 0.00 0.44 -3.05 1.61 1.74 -1.26 -5.07 116.66 111.07 1vj6 n ARG 58 Ca 0.00 -2.03 -0.40 0.00 -0.77 0.00 0.00 57.85 54.65 1vj6 n ARG 58 Cb 0.00 -0.61 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 1vj6 n ARG 58 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vj6 s ILE 59 N -0.93 5.02 0.04 0.55 1.01 -1.26 -5.04 121.20 120.59 1vj6 s ILE 59 Ca 0.25 1.39 -0.06 0.00 0.00 0.00 0.00 60.65 62.23 1vj6 s ILE 59 Cb 0.27 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1vj6 s ILE 59 CO -0.08 0.19 0.10 -1.00 0.00 0.00 0.00 174.94 174.14 1vj6 s HIS 60 N 1.27 0.20 0.59 3.97 3.76 -1.26 -4.68 115.29 119.14 1vj6 s HIS 60 Ca 0.35 -0.51 -0.20 0.00 -0.15 0.00 0.00 55.06 54.56 1vj6 s HIS 60 Cb -0.17 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 1vj6 s HIS 60 CO 0.15 -0.37 1.27 -1.59 -0.85 0.00 0.00 174.74 173.35 1vj6 s LYS 61 N -2.65 2.94 0.00 1.40 -2.85 -1.26 -4.48 119.74 112.84 1vj6 s LYS 61 Ca -0.05 2.01 0.00 0.00 -1.00 0.00 0.00 55.97 56.93 1vj6 s LYS 61 Cb -0.01 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1vj6 s LYS 61 CO -0.05 -1.28 0.00 0.41 0.10 0.00 0.00 175.35 174.54 1vj6 n GLY 62 N 0.69 1.58 3.97 0.59 0.00 -1.19 -5.05 105.19 105.77 1vj6 n GLY 62 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 5.24 -0.12 1.61 1.01 -1.26 -4.41 116.67 116.73 1vj6 s ASP 63 Ca 0.00 -0.70 -0.10 0.00 0.71 0.00 0.00 52.55 52.46 1vj6 s ASP 63 Cb 0.00 -0.29 -0.05 0.00 1.01 0.00 0.00 42.92 43.59 1vj6 s ASP 63 CO 0.00 -0.90 0.20 -0.60 0.21 0.00 0.00 175.17 174.08 1vj6 s ARG 64 N -4.35 3.79 -0.45 8.23 3.52 -0.60 -2.30 118.95 126.79 1vj6 s ARG 64 Ca 0.52 -0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 56.01 1vj6 s ARG 64 Cb -0.06 -3.28 0.10 0.00 -1.56 0.00 0.00 34.95 30.15 1vj6 s ARG 64 CO 0.32 0.59 0.30 0.08 -0.81 0.00 0.00 175.30 175.77 1vj6 s VAL 65 N -0.53 4.13 -0.22 7.11 1.01 0.11 -0.28 120.40 131.73 1vj6 s VAL 65 Ca 0.15 -1.66 0.03 0.00 0.00 0.00 0.00 61.98 60.50 1vj6 s VAL 65 Cb -0.13 -3.66 -0.20 0.00 0.00 0.00 0.00 36.38 32.40 1vj6 s VAL 65 CO 0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 175.10 174.42 1vj6 n LEU 66 N 4.88 2.41 -3.77 3.92 -0.00 -0.32 -1.57 117.00 122.56 1vj6 n LEU 66 Ca -0.08 -0.04 -0.13 0.00 -0.00 0.00 0.00 56.01 55.76 1vj6 n LEU 66 Cb 0.42 -0.70 -0.10 0.00 -0.00 0.00 0.00 43.42 43.04 1vj6 n LEU 66 CO 0.41 0.84 -0.01 0.00 -0.00 0.00 0.00 177.39 178.63 1vj6 s ALA 67 N -2.52 -0.76 -0.14 1.47 0.00 -1.03 -0.82 121.76 117.96 1vj6 s ALA 67 Ca -0.28 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1vj6 s ALA 67 Cb 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1vj6 s ALA 67 CO 0.67 -0.20 -0.03 0.08 0.00 0.00 0.00 175.76 176.27 1vj6 s VAL 68 N -0.62 0.86 -1.43 0.00 1.01 0.20 -0.54 120.40 119.89 1vj6 s VAL 68 Ca -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1vj6 s VAL 68 Cb -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1vj6 s VAL 68 CO 0.02 0.14 0.42 0.59 0.00 0.00 0.00 175.10 176.27 1vj6 n ASN 69 N 4.96 -5.08 -0.27 3.32 3.02 -0.70 -1.66 115.26 118.85 1vj6 n ASN 69 Ca -0.11 -0.22 -0.03 0.00 -0.03 0.00 0.00 54.58 54.20 1vj6 n ASN 69 Cb 0.48 -4.17 -0.01 0.00 -0.61 0.00 0.00 39.78 35.48 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vj6 n GLY 70 N -1.27 0.40 2.94 7.41 0.00 -1.26 -5.02 105.19 108.39 1vj6 n GLY 70 Ca -0.10 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.12 1.85 0.18 1.61 1.01 -0.67 -5.10 120.40 117.16 1vj6 s VAL 71 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 1vj6 s VAL 71 Cb 0.00 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.94 1vj6 s VAL 71 CO 0.00 -0.60 1.07 -0.44 0.00 0.00 0.00 175.10 175.13 1vj6 s SER 72 N 1.13 7.33 -0.15 3.32 0.01 -1.26 -0.63 113.70 123.44 1vj6 s SER 72 Ca 0.10 2.05 -0.00 0.00 1.31 0.00 0.00 55.95 59.41 1vj6 s SER 72 Cb -0.18 -2.60 0.12 0.00 0.21 0.00 0.00 66.02 63.56 1vj6 s SER 72 CO -0.13 -0.16 1.88 0.18 0.41 0.00 0.00 173.24 175.42 1vj6 n LEU 73 N 2.23 5.59 -4.59 2.44 4.77 0.00 -4.87 117.00 122.58 1vj6 n LEU 73 Ca 0.02 -2.72 -0.43 0.00 -0.03 0.00 0.00 56.01 52.85 1vj6 n LEU 73 Cb 0.46 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1vj6 n LEU 73 CO 0.53 1.04 0.86 -1.61 -1.33 0.00 0.00 177.39 176.88 1vj6 s GLU 74 N -0.90 3.68 0.00 3.23 2.02 -1.26 -1.37 118.70 124.10 1vj6 s GLU 74 Ca 0.15 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.57 1vj6 s GLU 74 Cb 0.12 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.46 1vj6 s GLU 74 CO 0.00 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.47 1vj6 n GLY 75 N 4.75 0.73 3.92 -1.39 0.00 -1.26 -5.01 105.19 106.92 1vj6 n GLY 75 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.12 3.71 0.02 4.61 0.00 -1.14 -4.89 121.76 121.95 1vj6 s ALA 76 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1vj6 s ALA 76 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1vj6 s ALA 76 CO 0.00 0.29 0.02 0.25 0.00 0.00 0.00 175.76 176.32 1vj6 n THR 77 N -0.90 0.00 -0.02 0.00 -2.24 -1.26 -1.22 114.28 108.64 1vj6 n THR 77 Ca -0.03 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1vj6 n THR 77 Cb 0.54 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.35 -0.07 -0.24 4.78 2.76 -1.89 0.44 115.15 121.29 1vj6 h HIS 78 Ca -0.01 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1vj6 h HIS 78 Cb 0.04 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1vj6 h HIS 78 CO 0.00 -0.05 -0.25 -0.22 -1.30 0.00 0.00 177.93 176.11 1vj6 h LYS 79 N 0.01 0.59 -0.24 5.26 1.63 -1.95 -2.44 116.57 119.42 1vj6 h LYS 79 Ca 0.07 -0.31 -0.09 0.00 -0.85 0.00 0.00 60.65 59.46 1vj6 h LYS 79 Cb 0.10 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1vj6 h LYS 79 CO -0.14 0.91 -0.25 1.96 -3.45 0.00 0.00 179.45 178.48 1vj6 h GLN 80 N 0.29 0.45 -0.85 1.90 7.50 -1.94 -2.58 115.11 119.88 1vj6 h GLN 80 Ca 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 1vj6 h GLN 80 Cb 0.81 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.27 1vj6 h GLN 80 CO 0.06 0.67 0.50 0.00 -1.50 0.00 0.00 178.83 178.56 1vj6 h ALA 81 N 1.34 1.29 -0.20 3.87 0.00 -0.78 -0.43 119.26 124.34 1vj6 h ALA 81 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1vj6 h ALA 81 Cb 0.66 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1vj6 h ALA 81 CO 0.05 0.61 0.02 0.28 0.00 0.00 0.00 179.25 180.21 1vj6 h VAL 82 N 1.17 0.89 -0.11 0.00 2.07 -1.12 -1.07 116.25 118.07 1vj6 h VAL 82 Ca 0.30 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 1vj6 h VAL 82 Cb -0.03 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1vj6 h VAL 82 CO -0.06 0.02 -0.02 -0.33 0.02 0.00 0.00 177.57 177.20 1vj6 h GLU 83 N 0.10 0.16 0.00 1.57 5.08 -1.14 0.15 114.58 120.50 1vj6 h GLU 83 Ca 0.09 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1vj6 h GLU 83 Cb 0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1vj6 h GLU 83 CO -0.13 0.20 -0.58 1.15 -1.00 0.00 0.00 179.01 178.65 1vj6 h THR 84 N 0.16 1.19 0.08 1.13 2.02 -0.49 -1.90 112.91 115.10 1vj6 h THR 84 Ca 0.04 -2.15 -0.32 0.00 0.77 0.00 0.00 66.41 64.75 1vj6 h THR 84 Cb 0.15 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1vj6 h THR 84 CO 0.00 0.57 -1.72 -0.07 0.37 0.00 0.00 175.52 174.68 1vj6 h LEU 85 N 0.00 0.27 0.09 2.58 3.38 -0.87 -3.42 115.31 117.34 1vj6 h LEU 85 Ca -0.01 -0.79 -0.29 0.00 0.09 0.00 0.00 57.88 56.88 1vj6 h LEU 85 Cb 1.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1vj6 h LEU 85 CO 0.08 1.72 -1.47 -0.09 0.09 0.00 0.00 178.44 178.77 1vj6 h ARG 86 N -0.32 0.19 -1.37 1.13 1.12 -0.78 -3.35 114.38 111.01 1vj6 h ARG 86 Ca -0.39 -0.32 -0.18 0.00 -1.11 0.00 0.00 59.98 57.97 1vj6 h ARG 86 Cb 1.77 0.12 -0.09 0.00 -0.01 0.00 0.00 29.97 31.76 1vj6 h ARG 86 CO -0.02 1.04 0.24 -1.71 -3.11 0.00 0.00 179.97 176.41 1vj6 n ASN 87 N -3.40 4.74 -4.95 -3.80 5.15 -0.71 -4.88 115.26 107.40 1vj6 n ASN 87 Ca -0.14 -2.67 -0.23 0.00 -0.60 0.00 0.00 54.58 50.94 1vj6 n ASN 87 Cb 1.03 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1vj6 s THR 88 N -1.26 4.31 -1.43 -0.44 -4.23 -1.26 -5.01 115.64 106.33 1vj6 s THR 88 Ca 0.19 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.13 1vj6 s THR 88 Cb 0.15 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1vj6 s THR 88 CO 0.01 -0.40 2.72 0.61 -0.54 0.00 0.00 174.62 177.03 1vj6 n GLY 89 N -1.99 4.65 5.00 3.99 0.00 -1.26 -4.77 105.19 110.82 1vj6 n GLY 89 Ca -0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 2.68 0.00 -2.56 1.61 7.27 -1.26 -4.88 117.38 120.24 1vj6 n GLN 90 Ca 0.70 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.36 1vj6 n GLN 90 Cb 0.26 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.87 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 3.93 -0.32 1.69 1.01 -1.26 -3.03 120.40 122.43 1vj6 s VAL 91 Ca 0.00 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1vj6 s VAL 91 Cb 0.00 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.39 1vj6 s VAL 91 CO 0.00 0.31 0.04 -0.69 0.00 0.00 0.00 175.10 174.76 1vj6 s VAL 92 N -0.36 1.90 -0.78 2.92 1.01 0.13 -4.89 120.40 120.33 1vj6 s VAL 92 Ca 0.48 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 1vj6 s VAL 92 Cb -0.29 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.78 1vj6 s VAL 92 CO 0.34 -0.54 1.23 -2.28 0.00 0.00 0.00 175.10 173.85 1vj6 s HIS 93 N 1.11 2.46 -0.39 5.22 5.04 -1.26 -1.86 115.29 125.61 1vj6 s HIS 93 Ca 0.08 -0.38 -0.24 0.00 -1.54 0.00 0.00 55.06 52.98 1vj6 s HIS 93 Cb -0.19 -4.55 0.02 0.00 0.04 0.00 0.00 32.58 27.90 1vj6 s HIS 93 CO -0.12 -1.93 0.85 -0.51 -2.34 0.00 0.00 174.74 170.70 1vj6 s LEU 94 N 5.07 4.08 -0.63 8.88 1.43 0.94 -1.72 118.68 136.72 1vj6 s LEU 94 Ca 0.34 0.34 -0.25 0.00 -1.03 0.00 0.00 54.13 53.54 1vj6 s LEU 94 Cb -0.08 -3.12 0.05 0.00 0.03 0.00 0.00 46.19 43.06 1vj6 s LEU 94 CO 0.08 -0.84 1.06 -0.22 0.23 0.00 0.00 176.35 176.66 1vj6 s LEU 95 N 3.35 3.87 0.14 1.79 0.20 0.30 -1.29 118.68 127.04 1vj6 s LEU 95 Ca 0.34 -0.50 0.06 0.00 0.69 0.00 0.00 54.13 54.72 1vj6 s LEU 95 Cb -0.12 -2.69 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 1vj6 s LEU 95 CO 0.20 -1.47 0.02 -0.76 -0.29 0.00 0.00 176.35 174.04 1vj6 s LEU 96 N 4.55 3.45 -0.10 -0.68 1.43 -0.66 -1.17 118.68 125.51 1vj6 s LEU 96 Ca 0.31 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1vj6 s LEU 96 Cb -0.12 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.98 1vj6 s LEU 96 CO 0.16 0.12 -0.13 -0.70 0.23 0.00 0.00 176.35 176.03 1vj6 s GLU 97 N -2.71 1.95 0.02 1.70 2.12 0.61 -0.75 118.70 121.63 1vj6 s GLU 97 Ca 0.27 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 1vj6 s GLU 97 Cb -0.10 -1.70 -0.07 0.00 0.26 0.00 0.00 34.13 32.52 1vj6 s GLU 97 CO 0.19 -0.07 1.64 0.21 -0.54 0.00 0.00 175.26 176.69 1vj6 s LYS 98 N 1.03 4.20 -1.34 4.30 2.47 0.36 -1.56 119.74 129.19 1vj6 s LYS 98 Ca -0.07 2.26 -0.15 0.00 -1.56 0.00 0.00 55.97 56.45 1vj6 s LYS 98 Cb -0.15 -3.76 0.01 0.00 -1.46 0.00 0.00 37.83 32.47 1vj6 s LYS 98 CO -0.01 -0.77 2.17 0.41 0.16 0.00 0.00 175.35 177.31 1vj6 n GLY 99 N 4.03 4.07 3.06 5.54 0.00 -1.26 -3.39 105.19 117.25 1vj6 n GLY 99 Ca 0.16 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 1vj6 n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vj6 s GLN 100 N 3.53 1.20 0.29 1.61 -1.52 -1.26 -4.97 119.66 118.54 1vj6 s GLN 100 Ca 0.49 -0.43 0.11 0.00 -1.95 0.00 0.00 55.36 53.57 1vj6 s GLN 100 Cb 0.14 -1.10 -0.05 0.00 -0.22 0.00 0.00 33.01 31.78 1vj6 s GLN 100 CO -0.05 0.20 -0.10 0.14 -0.25 0.00 0.00 175.29 175.23 1vj6 s VAL 101 N -0.00 2.74 -2.00 1.09 -7.23 -1.26 -3.00 120.40 110.74 1vj6 s VAL 101 Ca -0.01 -2.17 0.24 0.00 -1.81 0.00 0.00 61.98 58.23 1vj6 s VAL 101 Cb -0.08 -2.58 0.67 0.00 0.56 0.00 0.00 36.38 34.95 1vj6 s VAL 101 CO 0.01 -0.34 1.77 -0.81 -0.31 0.00 0.00 175.10 175.42