#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 2.10 0.22 0.03 1.02 -1.26 -5.06 119.74 116.80 1vj6 s LYS 9 Ca 0.00 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.76 1vj6 s LYS 9 Cb 0.00 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 1vj6 s LYS 9 CO 0.00 0.56 1.06 -1.25 -0.92 0.00 0.00 175.35 174.80 1vj6 s PRO 10 N -0.66 4.67 -1.43 -1.68 0.04 -1.26 -3.92 135.00 130.76 1vj6 s PRO 10 Ca 0.10 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1vj6 s PRO 10 Cb -0.10 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1vj6 s PRO 10 CO -0.01 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.66 1vj6 n GLY 11 N 1.64 0.53 3.38 0.56 0.00 -1.26 -4.97 105.19 105.07 1vj6 n GLY 11 Ca 0.00 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.55 6.16 0.33 1.61 2.15 -1.25 -4.78 116.67 118.35 1vj6 s ASP 12 Ca 0.00 -1.38 -0.26 0.00 0.43 0.00 0.00 52.55 51.34 1vj6 s ASP 12 Cb 0.00 -2.20 -0.09 0.00 -0.30 0.00 0.00 42.92 40.32 1vj6 s ASP 12 CO 0.00 -0.73 1.02 0.42 -0.17 0.00 0.00 175.17 175.72 1vj6 s THR 13 N 1.76 3.82 -0.05 1.71 -4.23 -1.26 -3.59 115.64 113.80 1vj6 s THR 13 Ca 0.05 1.57 0.03 0.00 -1.18 0.00 0.00 61.69 62.16 1vj6 s THR 13 Cb -0.25 -3.90 0.01 0.00 1.34 0.00 0.00 72.50 69.70 1vj6 s THR 13 CO 0.06 0.18 -0.13 0.72 -0.54 0.00 0.00 174.62 174.91 1vj6 s PHE 14 N -1.48 1.46 -0.93 3.99 -0.71 -0.45 -5.00 117.98 114.87 1vj6 s PHE 14 Ca 0.51 -0.48 -0.09 0.00 -1.04 0.00 0.00 56.93 55.83 1vj6 s PHE 14 Cb -0.24 -1.04 0.24 0.00 -1.21 0.00 0.00 43.02 40.77 1vj6 s PHE 14 CO 0.30 -0.21 0.87 -1.21 -1.34 0.00 0.00 175.22 173.64 1vj6 s GLU 15 N 0.38 3.70 0.67 1.99 8.01 -1.26 -1.30 118.70 130.88 1vj6 s GLU 15 Ca -0.09 -2.88 -0.15 0.00 0.01 0.00 0.00 54.97 51.85 1vj6 s GLU 15 Cb -0.13 -4.35 0.01 0.00 -4.31 0.00 0.00 34.13 25.35 1vj6 s GLU 15 CO 0.03 -1.26 1.12 0.08 0.01 0.00 0.00 175.26 175.24 1vj6 s VAL 16 N -0.64 3.14 -0.12 2.63 1.01 -0.34 -4.83 120.40 121.25 1vj6 s VAL 16 Ca 0.24 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 1vj6 s VAL 16 Cb -0.11 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1vj6 s VAL 16 CO -0.09 -0.33 -0.06 -1.83 0.00 0.00 0.00 175.10 172.80 1vj6 s GLU 17 N -4.09 1.34 0.18 2.72 1.03 -1.26 -0.41 118.70 118.21 1vj6 s GLU 17 Ca 0.68 -0.25 0.10 0.00 0.03 0.00 0.00 54.97 55.53 1vj6 s GLU 17 Cb -0.21 -1.58 -0.04 0.00 -0.80 0.00 0.00 34.13 31.49 1vj6 s GLU 17 CO 0.42 -0.31 -0.21 -0.51 -1.33 0.00 0.00 175.26 173.31 1vj6 s LEU 18 N 1.74 2.43 -0.25 1.83 1.43 -0.07 -4.96 118.68 120.83 1vj6 s LEU 18 Ca 0.04 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.21 1vj6 s LEU 18 Cb -0.13 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1vj6 s LEU 18 CO -0.08 0.05 0.08 0.00 0.23 0.00 0.00 176.35 176.63 1vj6 s ALA 19 N -1.81 3.17 0.03 4.21 0.00 -1.26 -0.46 121.76 125.65 1vj6 s ALA 19 Ca 0.18 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1vj6 s ALA 19 Cb -0.07 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1vj6 s ALA 19 CO 0.08 -0.52 1.67 -1.59 0.00 0.00 0.00 175.76 175.40 1vj6 s LYS 20 N 1.62 4.19 -0.35 0.00 -2.85 -1.15 -4.78 119.74 116.42 1vj6 s LYS 20 Ca 0.06 2.31 -0.21 0.00 -1.00 0.00 0.00 55.97 57.13 1vj6 s LYS 20 Cb -0.15 -3.74 0.00 0.00 -2.06 0.00 0.00 37.83 31.88 1vj6 s LYS 20 CO 0.04 -0.77 0.66 -0.08 0.10 0.00 0.00 175.35 175.30 1vj6 s THR 21 N 3.12 4.87 -1.50 3.79 -1.32 -0.12 -3.83 115.64 120.64 1vj6 s THR 21 Ca 0.75 0.69 -0.11 0.00 -1.21 0.00 0.00 61.69 61.81 1vj6 s THR 21 Cb -0.38 -4.09 0.07 0.00 -1.51 0.00 0.00 72.50 66.59 1vj6 s THR 21 CO 0.32 -0.30 0.88 0.47 -2.21 0.00 0.00 174.62 173.77 1vj6 n ASP 22 N 6.08 -3.68 -1.88 8.08 8.00 -1.26 -2.93 116.55 128.96 1vj6 n ASP 22 Ca -0.00 -0.82 -0.09 0.00 0.71 0.00 0.00 54.79 54.58 1vj6 n ASP 22 Cb 0.49 -3.75 0.04 0.00 -0.02 0.00 0.00 41.12 37.87 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vj6 n GLY 23 N -1.66 0.25 3.27 0.44 0.00 -1.25 -5.03 105.19 101.21 1vj6 n GLY 23 Ca -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.27 -0.87 0.25 1.61 0.15 -1.15 -4.99 113.70 105.43 1vj6 s SER 24 Ca 0.17 0.74 0.12 0.00 0.70 0.00 0.00 55.95 57.68 1vj6 s SER 24 Cb -0.07 1.81 0.24 0.00 -1.71 0.00 0.00 66.02 66.28 1vj6 s SER 24 CO 0.31 -0.16 1.53 -0.07 1.20 0.00 0.00 173.24 176.05 1vj6 h LEU 25 N 7.88 0.00 0.00 3.45 3.38 -1.89 -0.30 115.31 127.83 1vj6 h LEU 25 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1vj6 h LEU 25 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1vj6 h LEU 25 CO 0.08 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1vj6 n GLY 26 N 0.63 1.44 3.31 0.83 0.00 -1.26 -0.33 105.19 109.81 1vj6 n GLY 26 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 2.93 -0.19 -0.61 -4.36 -1.26 -3.55 121.20 112.15 1vj6 s ILE 27 Ca 0.00 -0.68 -0.28 0.00 -0.26 0.00 0.00 60.65 59.43 1vj6 s ILE 27 Cb 0.00 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.46 1vj6 s ILE 27 CO 0.00 0.50 0.99 -0.44 0.24 0.00 0.00 174.94 176.23 1vj6 s SER 28 N 0.80 7.10 0.08 4.36 0.01 -1.01 -4.99 113.70 120.05 1vj6 s SER 28 Ca -0.05 1.37 -0.30 0.00 1.31 0.00 0.00 55.95 58.28 1vj6 s SER 28 Cb -0.15 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 1vj6 s SER 28 CO 0.01 -0.57 1.03 0.68 0.41 0.00 0.00 173.24 174.80 1vj6 s VAL 29 N 2.76 4.43 0.33 3.43 -7.23 -1.26 -0.17 120.40 122.69 1vj6 s VAL 29 Ca 0.44 1.88 0.04 0.00 -1.81 0.00 0.00 61.98 62.53 1vj6 s VAL 29 Cb -0.16 -4.20 -0.06 0.00 0.56 0.00 0.00 36.38 32.52 1vj6 s VAL 29 CO 0.10 0.22 0.06 0.28 -0.31 0.00 0.00 175.10 175.45 1vj6 s THR 30 N 0.48 1.17 0.00 5.32 -1.32 0.01 -4.81 115.64 116.49 1vj6 s THR 30 Ca 0.51 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 1vj6 s THR 30 Cb -0.25 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 1vj6 s THR 30 CO 0.30 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 1vj6 n GLY 31 N -0.71 1.41 0.00 6.08 0.00 -1.26 -1.14 105.19 109.56 1vj6 n GLY 31 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.29 -0.02 0.00 -1.23 -4.11 105.19 99.18 1vj6 n GLY 32 Ca 0.00 -1.54 0.15 0.00 0.00 0.00 0.00 46.02 44.63 1vj6 n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1vj6 h VAL 33 N 0.00 0.51 -0.16 1.61 3.04 -1.53 -1.40 116.25 118.31 1vj6 h VAL 33 Ca 0.00 -0.12 -0.06 0.00 -1.01 0.00 0.00 66.70 65.51 1vj6 h VAL 33 Cb 0.00 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1vj6 h VAL 33 CO 0.00 0.03 -0.17 -0.55 -1.01 0.00 0.00 177.57 175.87 1vj6 h ASN 34 N 0.00 0.26 0.03 3.17 -1.07 -1.83 -3.01 115.58 113.13 1vj6 h ASN 34 Ca -0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 56.30 56.27 1vj6 h ASN 34 Cb 0.08 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1vj6 h ASN 34 CO 0.00 0.45 -0.17 0.74 0.07 0.00 0.00 177.43 178.53 1vj6 h THR 35 N 0.25 1.74 0.00 6.14 2.02 -1.41 -3.50 112.91 118.14 1vj6 h THR 35 Ca 0.05 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1vj6 h THR 35 Cb 0.46 3.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.21 1vj6 h THR 35 CO 0.03 0.63 0.00 -1.54 0.37 0.00 0.00 175.52 175.01 1vj6 n SER 36 N -4.51 0.00 -2.96 4.18 3.41 -1.02 -5.08 113.62 107.63 1vj6 n SER 36 Ca -0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.35 1vj6 n SER 36 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1vj6 n VAL 37 N 2.04 0.46 0.00 -3.33 0.24 -1.26 -4.99 118.33 111.49 1vj6 n VAL 37 Ca 0.00 -4.07 0.00 0.00 -2.04 0.00 0.00 64.34 58.23 1vj6 n VAL 37 Cb 0.00 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1vj6 n VAL 37 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1vj6 n ARG 38 N 0.11 0.00 0.01 7.34 0.63 -1.26 -3.46 116.66 120.03 1vj6 n ARG 38 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1vj6 n ARG 38 Cb 0.71 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.62 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1vj6 n HIS 39 N 0.00 -0.22 0.00 -0.14 -0.00 -1.26 -5.16 115.22 108.44 1vj6 n HIS 39 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1vj6 n HIS 39 Cb 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 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 1.69 -0.88 0.45 1.57 0.00 -1.22 -4.78 105.19 102.01 1vj6 n GLY 40 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -1.94 3.43 -0.02 0.00 -1.10 -4.79 105.19 100.76 1vj6 n GLY 41 Ca 0.00 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.07 2.03 0.08 -0.61 1.10 -0.60 -3.53 121.20 117.59 1vj6 s ILE 42 Ca 0.00 -2.26 0.04 0.00 -0.51 0.00 0.00 60.65 57.92 1vj6 s ILE 42 Cb 0.00 -2.30 -0.03 0.00 0.15 0.00 0.00 42.46 40.28 1vj6 s ILE 42 CO 0.00 -0.41 -0.11 -0.31 -2.11 0.00 0.00 174.94 171.99 1vj6 s TYR 43 N -2.78 1.04 -0.27 3.50 1.51 -0.29 0.21 117.35 120.27 1vj6 s TYR 43 Ca 0.28 -0.54 -0.19 0.00 -1.01 0.00 0.00 57.07 55.61 1vj6 s TYR 43 Cb -0.01 -0.58 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1vj6 s TYR 43 CO 0.12 0.01 0.57 0.08 -1.11 0.00 0.00 175.55 175.21 1vj6 s VAL 44 N -1.74 5.02 -0.11 0.71 1.01 -0.02 -0.81 120.40 124.47 1vj6 s VAL 44 Ca -0.01 0.93 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1vj6 s VAL 44 Cb -0.07 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1vj6 s VAL 44 CO 0.01 0.02 -0.05 0.50 0.00 0.00 0.00 175.10 175.58 1vj6 h LYS 45 N 8.02 0.00 -5.60 2.72 3.11 -0.87 -0.28 116.57 123.67 1vj6 h LYS 45 Ca -0.28 0.00 -0.68 0.00 -2.81 0.00 0.00 60.65 56.88 1vj6 h LYS 45 Cb 1.13 0.00 -0.30 0.00 -1.00 0.00 0.00 32.23 32.06 1vj6 h LYS 45 CO 0.75 0.00 -0.84 0.00 -2.81 0.00 0.00 179.45 176.55 1vj6 s ALA 46 N -2.62 2.33 -0.13 5.00 0.00 -1.24 -4.32 121.76 120.78 1vj6 s ALA 46 Ca -0.04 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1vj6 s ALA 46 Cb 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1vj6 s ALA 46 CO 0.06 0.34 0.36 0.42 0.00 0.00 0.00 175.76 176.94 1vj6 s ILE 47 N 0.12 5.25 0.20 0.00 -1.09 -1.26 -2.40 121.20 122.02 1vj6 s ILE 47 Ca -0.10 0.70 0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1vj6 s ILE 47 Cb -0.16 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1vj6 s ILE 47 CO 0.06 0.39 0.28 0.27 -1.23 0.00 0.00 174.94 174.72 1vj6 s ILE 48 N 0.34 5.07 -0.35 2.92 -4.36 -1.23 -5.05 121.20 118.54 1vj6 s ILE 48 Ca 0.20 -0.96 -0.28 0.00 -0.26 0.00 0.00 60.65 59.35 1vj6 s ILE 48 Cb -0.14 -3.69 -0.02 0.00 1.25 0.00 0.00 42.46 39.87 1vj6 s ILE 48 CO 0.07 -0.23 1.78 -2.84 0.24 0.00 0.00 174.94 173.96 1vj6 s PRO 49 N -3.61 3.32 -0.57 0.37 0.02 -1.26 -4.27 135.00 129.00 1vj6 s PRO 49 Ca 0.34 1.36 -0.03 0.00 0.02 0.00 0.00 61.00 62.69 1vj6 s PRO 49 Cb -0.10 -4.20 -0.03 0.00 0.02 0.00 0.00 34.50 30.19 1vj6 s PRO 49 CO 0.28 -1.88 0.50 1.63 -0.33 0.00 0.00 177.00 177.20 1vj6 n LYS 50 N 8.44 -1.20 0.00 5.54 5.02 -1.26 -5.05 118.16 129.65 1vj6 n LYS 50 Ca 0.22 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1vj6 n LYS 50 Cb 0.47 -3.91 0.00 0.00 -0.02 0.00 0.00 35.03 31.57 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 -1.36 0.20 0.00 0.72 0.00 -1.26 -5.06 105.19 98.43 1vj6 n GLY 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.91 0.08 4.61 0.00 0.56 -4.78 120.51 119.88 1vj6 n ALA 52 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1vj6 n ALA 52 Cb 0.00 0.12 0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 0.70 -0.88 0.00 0.00 -1.22 -2.58 119.26 115.27 1vj6 h ALA 53 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.34 1vj6 h ALA 53 Cb 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1vj6 h ALA 53 CO 0.00 0.81 0.56 1.49 0.00 0.00 0.00 179.25 182.10 1vj6 h GLU 54 N 0.15 1.00 0.00 0.00 4.81 -1.83 -2.87 114.58 115.84 1vj6 h GLU 54 Ca -0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1vj6 h GLU 54 Cb 1.28 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1vj6 h GLU 54 CO 0.11 0.66 0.00 0.43 -0.73 0.00 0.00 179.01 179.48 1vj6 n SER 55 N -4.59 0.00 0.00 1.04 7.64 -0.97 -2.71 113.62 114.03 1vj6 n SER 55 Ca 0.12 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1vj6 n SER 55 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1vj6 n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vj6 n ASP 56 N -0.69 0.00 0.00 6.43 2.03 -1.08 -5.04 116.55 118.20 1vj6 n ASP 56 Ca 0.06 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1vj6 n ASP 56 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 1.37 1.68 0.10 0.27 0.00 -1.10 -4.98 105.19 102.53 1vj6 n GLY 57 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -6.46 1.61 3.08 -1.89 -3.44 114.38 107.28 1vj6 h ARG 58 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1vj6 h ARG 58 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1vj6 h ARG 58 CO 0.00 0.00 0.33 0.42 -1.07 0.00 0.00 179.97 179.65 1vj6 s ILE 59 N -3.16 4.66 0.11 2.04 1.01 -1.26 -5.03 121.20 119.58 1vj6 s ILE 59 Ca 0.08 1.99 0.01 0.00 0.00 0.00 0.00 60.65 62.73 1vj6 s ILE 59 Cb 0.12 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 1vj6 s ILE 59 CO 0.67 0.27 0.05 1.57 0.00 0.00 0.00 174.94 177.49 1vj6 n HIS 60 N 3.17 0.01 -2.88 3.97 -0.00 -1.26 -4.89 115.22 113.34 1vj6 n HIS 60 Ca 0.03 -0.75 -0.43 0.00 0.46 0.00 0.00 57.72 57.03 1vj6 n HIS 60 Cb 0.50 0.01 -0.04 0.00 -0.12 0.00 0.00 29.99 30.33 1vj6 n HIS 60 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1vj6 s LYS 61 N -2.44 3.70 0.00 1.57 1.02 -1.26 -3.51 119.74 118.82 1vj6 s LYS 61 Ca 0.06 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1vj6 s LYS 61 Cb 0.00 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 1vj6 s LYS 61 CO 0.05 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 173.90 1vj6 n GLY 62 N 4.61 1.38 3.90 -3.33 0.00 -0.11 -5.02 105.19 106.62 1vj6 n GLY 62 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 5.61 -0.19 1.61 1.01 -1.23 -4.63 116.67 116.85 1vj6 s ASP 63 Ca 0.00 0.95 -0.01 0.00 0.71 0.00 0.00 52.55 54.20 1vj6 s ASP 63 Cb 0.00 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1vj6 s ASP 63 CO 0.00 -1.14 -0.13 -0.60 0.21 0.00 0.00 175.17 173.50 1vj6 s ARG 64 N -5.15 3.18 -0.24 8.23 3.00 -1.26 -0.84 118.95 125.88 1vj6 s ARG 64 Ca 0.55 -0.74 -0.17 0.00 -1.00 0.00 0.00 55.73 54.37 1vj6 s ARG 64 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 34.95 32.08 1vj6 s ARG 64 CO 0.48 -0.15 0.47 0.08 0.00 0.00 0.00 175.30 176.19 1vj6 s VAL 65 N 1.23 5.12 -0.24 7.11 1.01 0.13 -0.77 120.40 133.99 1vj6 s VAL 65 Ca 0.03 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1vj6 s VAL 65 Cb -0.14 -3.79 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 1vj6 s VAL 65 CO -0.06 0.15 -0.16 0.00 0.00 0.00 0.00 175.10 175.03 1vj6 n LEU 66 N 5.12 2.91 -3.86 3.92 -0.00 0.13 -1.56 117.00 123.67 1vj6 n LEU 66 Ca -0.06 -0.10 -0.09 0.00 -0.00 0.00 0.00 56.01 55.77 1vj6 n LEU 66 Cb 0.50 -0.92 -0.07 0.00 -0.00 0.00 0.00 43.42 42.93 1vj6 n LEU 66 CO 0.40 0.93 -0.09 0.00 -0.00 0.00 0.00 177.39 178.62 1vj6 s ALA 67 N -2.52 -0.23 -0.10 1.47 0.00 -1.03 -0.83 121.76 118.52 1vj6 s ALA 67 Ca -0.33 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1vj6 s ALA 67 Cb 0.09 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.72 1vj6 s ALA 67 CO 0.62 -0.51 -0.04 0.08 0.00 0.00 0.00 175.76 175.91 1vj6 s VAL 68 N -3.85 0.76 -1.69 0.00 1.01 0.12 -0.18 120.40 116.57 1vj6 s VAL 68 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1vj6 s VAL 68 Cb 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1vj6 s VAL 68 CO -0.11 0.31 0.00 0.59 0.00 0.00 0.00 175.10 175.89 1vj6 n ASN 69 N 5.03 -4.92 0.00 3.32 3.02 -0.38 -0.16 115.26 121.17 1vj6 n ASN 69 Ca -0.10 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1vj6 n ASN 69 Cb 0.50 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 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 -0.64 1.05 3.39 7.41 0.00 -1.26 -5.02 105.19 110.12 1vj6 n GLY 70 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.96 4.76 0.25 1.61 1.01 0.77 -5.00 120.40 120.85 1vj6 s VAL 71 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1vj6 s VAL 71 Cb 0.00 -4.50 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1vj6 s VAL 71 CO 0.00 -1.14 1.25 -0.55 0.00 0.00 0.00 175.10 174.65 1vj6 s SER 72 N 3.56 6.97 -0.35 3.32 0.15 -1.26 -0.70 113.70 125.39 1vj6 s SER 72 Ca 0.13 2.43 -0.07 0.00 0.70 0.00 0.00 55.95 59.15 1vj6 s SER 72 Cb -0.23 -2.62 -0.23 0.00 -1.71 0.00 0.00 66.02 61.23 1vj6 s SER 72 CO 0.07 -0.42 3.48 0.18 1.20 0.00 0.00 173.24 177.75 1vj6 n LEU 73 N 1.76 5.98 -4.65 3.45 4.77 -0.01 -4.90 117.00 123.39 1vj6 n LEU 73 Ca 0.02 -3.42 -0.43 0.00 -0.03 0.00 0.00 56.01 52.15 1vj6 n LEU 73 Cb 0.43 -1.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1vj6 n LEU 73 CO 0.57 1.77 0.96 -1.61 -1.33 0.00 0.00 177.39 177.75 1vj6 s GLU 74 N 1.26 4.20 -0.37 3.23 2.02 -1.26 -2.73 118.70 125.05 1vj6 s GLU 74 Ca 0.67 1.33 0.00 0.00 0.02 0.00 0.00 54.97 57.00 1vj6 s GLU 74 Cb 0.29 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1vj6 s GLU 74 CO -0.01 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1vj6 n GLY 75 N 3.51 0.60 3.78 -1.39 0.00 -1.26 -5.00 105.19 105.43 1vj6 n GLY 75 Ca 0.12 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.88 3.49 0.00 4.61 0.00 -1.18 -4.89 121.76 121.91 1vj6 s ALA 76 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1vj6 s ALA 76 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1vj6 s ALA 76 CO 0.00 0.29 0.00 0.25 0.00 0.00 0.00 175.76 176.30 1vj6 n THR 77 N 1.91 0.00 0.24 0.00 -2.24 -1.26 -1.73 114.28 111.19 1vj6 n THR 77 Ca -0.07 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 1vj6 n THR 77 Cb 0.50 -0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.01 -0.52 -0.24 4.78 2.76 -1.92 -1.07 115.15 118.95 1vj6 h HIS 78 Ca 0.00 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 1vj6 h HIS 78 Cb 0.00 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1vj6 h HIS 78 CO 0.00 -0.32 -0.52 0.87 -1.30 0.00 0.00 177.93 176.66 1vj6 h LYS 79 N -0.55 0.78 -0.71 5.26 1.57 -1.99 -1.81 116.57 119.11 1vj6 h LYS 79 Ca -0.05 -0.51 -0.06 0.00 -1.87 0.00 0.00 60.65 58.16 1vj6 h LYS 79 Cb 0.43 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1vj6 h LYS 79 CO 0.08 1.14 0.22 0.37 -0.57 0.00 0.00 179.45 180.69 1vj6 h GLN 80 N 0.52 1.11 -0.61 3.15 -0.00 -1.93 -1.59 115.11 115.77 1vj6 h GLN 80 Ca 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 58.65 58.35 1vj6 h GLN 80 Cb 1.13 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.42 1vj6 h GLN 80 CO 0.11 0.96 0.13 0.00 0.00 0.00 0.00 178.83 180.03 1vj6 h ALA 81 N 1.11 0.80 0.07 3.38 0.00 -1.16 -1.75 119.26 121.71 1vj6 h ALA 81 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1vj6 h ALA 81 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1vj6 h ALA 81 CO -0.01 0.53 -0.23 0.28 0.00 0.00 0.00 179.25 179.82 1vj6 h VAL 82 N 0.89 0.48 -0.93 0.00 2.07 -1.12 -1.62 116.25 116.03 1vj6 h VAL 82 Ca 0.19 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.83 1vj6 h VAL 82 Cb 0.38 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1vj6 h VAL 82 CO 0.01 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.11 1vj6 h GLU 83 N -0.40 0.80 -0.48 1.57 4.81 -1.21 0.46 114.58 120.13 1vj6 h GLU 83 Ca 0.04 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1vj6 h GLU 83 Cb 0.45 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1vj6 h GLU 83 CO -0.16 0.53 0.04 1.15 -0.73 0.00 0.00 179.01 179.84 1vj6 h THR 84 N 0.83 1.23 0.00 0.32 2.02 -0.93 -1.04 112.91 115.33 1vj6 h THR 84 Ca 0.46 -0.92 -0.21 0.00 0.77 0.00 0.00 66.41 66.51 1vj6 h THR 84 Cb 0.58 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1vj6 h THR 84 CO -0.22 0.33 -1.64 0.18 0.37 0.00 0.00 175.52 174.54 1vj6 n LEU 85 N -4.24 0.71 -0.08 2.58 4.77 -0.64 -4.56 117.00 115.54 1vj6 n LEU 85 Ca 0.03 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 1vj6 n LEU 85 Cb 0.27 0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1vj6 n LEU 85 CO 0.41 0.24 -0.02 -0.09 -1.33 0.00 0.00 177.39 176.59 1vj6 h ARG 86 N 0.00 0.00 -2.78 3.23 1.12 -0.11 -3.40 114.38 112.45 1vj6 h ARG 86 Ca -0.23 0.00 -0.77 0.00 -1.11 0.00 0.00 59.98 57.87 1vj6 h ARG 86 Cb 1.74 0.00 -0.19 0.00 -0.01 0.00 0.00 29.97 31.51 1vj6 h ARG 86 CO 0.05 0.72 1.78 -1.71 -3.11 0.00 0.00 179.97 177.70 1vj6 n ASN 87 N -4.59 7.00 0.00 -3.80 5.15 -0.40 -4.85 115.26 113.77 1vj6 n ASN 87 Ca -0.14 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.54 1vj6 n ASN 87 Cb 0.43 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1vj6 n THR 88 N 1.62 0.00 -2.85 -0.44 -2.24 -1.26 -4.88 114.28 104.23 1vj6 n THR 88 Ca 0.48 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.15 1vj6 n THR 88 Cb 0.29 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.57 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 5.00 1.67 5.00 3.38 0.00 -1.26 -5.00 105.19 113.98 1vj6 n GLY 89 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.14 0.00 -2.70 1.61 7.27 -1.26 -4.84 117.38 117.60 1vj6 n GLN 90 Ca 0.10 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.75 1vj6 n GLN 90 Cb 0.73 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.35 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 4.78 -0.36 1.69 1.01 -1.26 -2.94 120.40 123.32 1vj6 s VAL 91 Ca 0.00 2.01 -0.05 0.00 0.00 0.00 0.00 61.98 63.94 1vj6 s VAL 91 Cb 0.00 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 32.15 1vj6 s VAL 91 CO 0.00 -0.00 0.14 -0.69 0.00 0.00 0.00 175.10 174.54 1vj6 s VAL 92 N 2.09 3.59 -0.65 2.92 1.01 0.40 -4.93 120.40 124.82 1vj6 s VAL 92 Ca 0.47 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 1vj6 s VAL 92 Cb -0.18 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1vj6 s VAL 92 CO 0.17 -0.35 1.36 -1.00 0.00 0.00 0.00 175.10 175.28 1vj6 s HIS 93 N 1.31 2.28 -0.28 5.22 3.76 -1.26 -0.89 115.29 125.43 1vj6 s HIS 93 Ca 0.01 0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.93 1vj6 s HIS 93 Cb -0.21 -4.49 -0.00 0.00 1.11 0.00 0.00 32.58 28.99 1vj6 s HIS 93 CO 0.00 -1.99 0.83 -0.51 -0.85 0.00 0.00 174.74 172.22 1vj6 s LEU 94 N 6.03 4.07 -0.62 0.89 1.43 0.45 -1.25 118.68 129.67 1vj6 s LEU 94 Ca 0.44 0.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 1vj6 s LEU 94 Cb -0.09 -3.16 0.07 0.00 0.03 0.00 0.00 46.19 43.05 1vj6 s LEU 94 CO 0.20 -0.59 0.88 -0.22 0.23 0.00 0.00 176.35 176.84 1vj6 s LEU 95 N 2.96 4.64 0.05 1.79 0.20 0.75 -1.20 118.68 127.87 1vj6 s LEU 95 Ca 0.34 -1.03 0.01 0.00 0.69 0.00 0.00 54.13 54.14 1vj6 s LEU 95 Cb -0.14 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 1vj6 s LEU 95 CO 0.11 -1.31 0.13 -0.76 -0.29 0.00 0.00 176.35 174.23 1vj6 s LEU 96 N 3.62 4.04 0.00 -0.68 1.43 -0.42 -0.69 118.68 125.98 1vj6 s LEU 96 Ca 0.20 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1vj6 s LEU 96 Cb -0.18 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1vj6 s LEU 96 CO 0.10 0.20 0.00 1.21 0.23 0.00 0.00 176.35 178.09 1vj6 n GLU 97 N 0.58 1.33 -4.00 1.70 0.00 0.05 -1.33 120.64 118.96 1vj6 n GLU 97 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.76 1vj6 n GLU 97 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.81 1vj6 n GLU 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1vj6 s LYS 98 N -0.20 1.78 -1.40 5.31 2.47 -1.24 -4.61 119.74 121.85 1vj6 s LYS 98 Ca 0.00 -1.40 -0.10 0.00 -1.56 0.00 0.00 55.97 52.91 1vj6 s LYS 98 Cb 0.00 -2.86 0.08 0.00 -1.46 0.00 0.00 37.83 33.59 1vj6 s LYS 98 CO 0.00 -0.71 2.26 0.41 0.16 0.00 0.00 175.35 177.47 1vj6 n GLY 99 N 4.46 4.66 3.33 5.54 0.00 -1.26 -4.34 105.19 117.58 1vj6 n GLY 99 Ca -0.08 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 1.28 1.27 0.73 1.61 -1.52 -1.26 -4.65 119.66 117.12 1vj6 s GLN 100 Ca 0.49 -1.42 -0.12 0.00 -1.95 0.00 0.00 55.36 52.37 1vj6 s GLN 100 Cb 0.14 0.34 0.03 0.00 -0.22 0.00 0.00 33.01 33.31 1vj6 s GLN 100 CO -0.05 -0.46 1.12 0.14 -0.25 0.00 0.00 175.29 175.79 1vj6 s VAL 101 N -4.07 3.11 -2.00 1.09 -7.23 -1.26 -4.78 120.40 105.25 1vj6 s VAL 101 Ca 0.29 0.36 0.25 0.00 -1.81 0.00 0.00 61.98 61.07 1vj6 s VAL 101 Cb 0.04 -3.35 0.70 0.00 0.56 0.00 0.00 36.38 34.33 1vj6 s VAL 101 CO 0.08 -0.47 1.83 -2.65 -0.31 0.00 0.00 175.10 173.58