#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 3.23 0.19 0.03 3.01 -1.26 -5.10 119.74 119.84 1vj6 s LYS 9 Ca 0.00 -0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 53.98 1vj6 s LYS 9 Cb 0.00 -2.59 -0.08 0.00 -1.01 0.00 0.00 37.83 34.15 1vj6 s LYS 9 CO 0.00 0.29 1.18 -1.25 0.51 0.00 0.00 175.35 176.08 1vj6 s PRO 10 N 0.14 4.51 -0.31 -1.68 0.04 -1.26 -3.51 135.00 132.93 1vj6 s PRO 10 Ca -0.07 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1vj6 s PRO 10 Cb -0.15 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1vj6 s PRO 10 CO 0.05 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1vj6 n GLY 11 N 2.12 0.61 3.68 0.56 0.00 -1.17 -4.99 105.19 105.99 1vj6 n GLY 11 Ca 0.04 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.63 7.17 0.09 1.61 2.15 -1.23 -4.66 116.67 119.18 1vj6 s ASP 12 Ca 0.00 1.50 -0.17 0.00 0.43 0.00 0.00 52.55 54.31 1vj6 s ASP 12 Cb 0.00 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 1vj6 s ASP 12 CO 0.00 -0.54 0.55 0.42 -0.17 0.00 0.00 175.17 175.42 1vj6 s THR 13 N 2.49 4.81 -0.06 1.71 -4.23 -1.26 -1.94 115.64 117.17 1vj6 s THR 13 Ca 0.47 1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 61.99 1vj6 s THR 13 Cb -0.18 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 69.89 1vj6 s THR 13 CO 0.14 0.44 0.09 0.72 -0.54 0.00 0.00 174.62 175.47 1vj6 s PHE 14 N -1.25 -0.02 -1.08 3.99 -0.71 -0.50 -5.00 117.98 113.42 1vj6 s PHE 14 Ca 0.32 0.36 -0.03 0.00 -1.04 0.00 0.00 56.93 56.53 1vj6 s PHE 14 Cb -0.17 -0.42 0.30 0.00 -1.21 0.00 0.00 43.02 41.52 1vj6 s PHE 14 CO 0.18 -0.23 1.62 0.39 -1.34 0.00 0.00 175.22 175.85 1vj6 n GLU 15 N 5.31 4.75 -1.92 1.99 4.71 -1.25 -1.25 120.64 132.97 1vj6 n GLU 15 Ca -0.04 -4.53 -0.43 0.00 -0.01 0.00 0.00 57.16 52.15 1vj6 n GLU 15 Cb 0.50 -2.52 -0.03 0.00 -1.01 0.00 0.00 31.44 28.39 1vj6 n GLU 15 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1vj6 s VAL 16 N -3.11 3.40 -0.39 2.62 1.01 -0.32 -4.56 120.40 119.04 1vj6 s VAL 16 Ca 0.34 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 1vj6 s VAL 16 Cb 0.10 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1vj6 s VAL 16 CO 0.03 -0.29 0.43 -1.83 0.00 0.00 0.00 175.10 173.45 1vj6 s GLU 17 N 5.58 3.28 0.27 2.72 1.03 -1.26 0.12 118.70 130.44 1vj6 s GLU 17 Ca 0.83 -0.59 0.11 0.00 0.03 0.00 0.00 54.97 55.35 1vj6 s GLU 17 Cb -0.26 -3.91 -0.05 0.00 -0.80 0.00 0.00 34.13 29.12 1vj6 s GLU 17 CO 0.34 -0.75 -0.14 -0.51 -1.33 0.00 0.00 175.26 172.87 1vj6 s LEU 18 N 2.16 2.78 -0.17 1.83 1.43 -0.02 -4.94 118.68 121.75 1vj6 s LEU 18 Ca 0.13 -0.90 0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1vj6 s LEU 18 Cb -0.17 -1.30 0.36 0.00 0.03 0.00 0.00 46.19 45.11 1vj6 s LEU 18 CO 0.13 0.03 1.20 0.00 0.23 0.00 0.00 176.35 177.94 1vj6 n ALA 19 N -0.67 2.89 -0.87 4.21 0.00 -1.26 -0.36 120.51 124.44 1vj6 n ALA 19 Ca -0.06 -2.89 0.11 0.00 0.00 0.00 0.00 53.44 50.60 1vj6 n ALA 19 Cb 0.59 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1vj6 n ALA 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vj6 n LYS 20 N -1.27 -1.62 -3.85 0.00 5.02 -1.26 -4.64 118.16 110.55 1vj6 n LYS 20 Ca 0.18 1.07 -0.28 0.00 -2.02 0.00 0.00 58.31 57.26 1vj6 n LYS 20 Cb 0.68 -1.98 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1vj6 n LYS 20 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1vj6 s THR 21 N -1.57 2.56 -0.95 -0.18 -1.32 0.12 -4.90 115.64 109.39 1vj6 s THR 21 Ca 0.00 -3.98 -0.07 0.00 -1.21 0.00 0.00 61.69 56.42 1vj6 s THR 21 Cb 0.00 -2.69 -0.03 0.00 -1.51 0.00 0.00 72.50 68.27 1vj6 s THR 21 CO 0.00 -1.01 0.79 -0.67 -2.21 0.00 0.00 174.62 171.52 1vj6 n ASP 22 N 2.20 -6.54 -1.17 8.08 2.03 -1.26 -4.00 116.55 115.89 1vj6 n ASP 22 Ca 0.19 -0.61 -0.02 0.00 0.52 0.00 0.00 54.79 54.87 1vj6 n ASP 22 Cb 0.36 -4.48 0.01 0.00 -0.72 0.00 0.00 41.12 36.30 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 -1.55 0.48 0.00 0.27 0.00 -1.26 -5.04 105.19 98.08 1vj6 n GLY 23 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1vj6 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vj6 n SER 24 N -0.56 0.00 0.04 1.61 2.88 -1.26 -5.01 113.62 111.33 1vj6 n SER 24 Ca -0.02 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.34 1vj6 n SER 24 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1vj6 n SER 24 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1vj6 h LEU 25 N 0.00 0.77 0.00 2.46 3.38 -1.91 0.33 115.31 120.34 1vj6 h LEU 25 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1vj6 h LEU 25 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1vj6 h LEU 25 CO 0.00 1.40 0.00 0.61 0.09 0.00 0.00 178.44 180.54 1vj6 n GLY 26 N 0.98 1.49 3.56 0.83 0.00 -1.26 -0.80 105.19 109.99 1vj6 n GLY 26 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.78 4.67 -0.48 -0.61 -4.36 -1.26 -3.20 121.20 114.18 1vj6 s ILE 27 Ca 0.00 -0.06 -0.29 0.00 -0.26 0.00 0.00 60.65 60.04 1vj6 s ILE 27 Cb 0.00 -3.14 0.02 0.00 1.25 0.00 0.00 42.46 40.59 1vj6 s ILE 27 CO 0.00 0.39 1.24 -0.44 0.24 0.00 0.00 174.94 176.37 1vj6 s SER 28 N 0.97 6.49 -0.08 4.36 0.01 -0.94 -5.00 113.70 119.51 1vj6 s SER 28 Ca 0.04 0.51 -0.27 0.00 1.31 0.00 0.00 55.95 57.54 1vj6 s SER 28 Cb -0.14 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1vj6 s SER 28 CO 0.03 -1.36 0.90 0.68 0.41 0.00 0.00 173.24 173.89 1vj6 s VAL 29 N 4.90 4.88 0.33 3.43 -7.23 -1.26 -0.23 120.40 125.21 1vj6 s VAL 29 Ca 0.51 1.83 0.06 0.00 -1.81 0.00 0.00 61.98 62.57 1vj6 s VAL 29 Cb -0.09 -4.22 -0.06 0.00 0.56 0.00 0.00 36.38 32.56 1vj6 s VAL 29 CO 0.31 0.10 0.00 0.28 -0.31 0.00 0.00 175.10 175.48 1vj6 s THR 30 N 1.52 1.56 0.00 5.32 -1.32 -0.05 -4.87 115.64 117.80 1vj6 s THR 30 Ca 0.45 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 1vj6 s THR 30 Cb -0.19 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1vj6 s THR 30 CO 0.19 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1vj6 n GLY 31 N -0.71 1.11 0.00 6.08 0.00 -1.26 -1.06 105.19 109.35 1vj6 n GLY 31 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.44 0.09 -0.02 0.00 -1.20 -4.16 105.19 101.35 1vj6 n GLY 32 Ca 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 1.85 1.33 0.16 1.61 3.14 -0.01 -1.20 118.33 125.22 1vj6 n VAL 33 Ca 0.00 0.57 0.06 0.00 -2.96 0.00 0.00 64.34 62.02 1vj6 n VAL 33 Cb 0.00 -1.55 0.55 0.00 -1.06 0.00 0.00 33.84 31.78 1vj6 n VAL 33 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1vj6 h ASN 34 N 0.00 0.18 0.00 6.55 -0.73 -1.81 -2.83 115.58 116.94 1vj6 h ASN 34 Ca 0.00 -0.01 -0.37 0.00 1.87 0.00 0.00 56.30 57.79 1vj6 h ASN 34 Cb 0.06 -0.04 -0.07 0.00 0.27 0.00 0.00 38.32 38.53 1vj6 h ASN 34 CO 0.00 0.14 -2.40 0.41 -0.37 0.00 0.00 177.43 175.21 1vj6 n THR 35 N -4.50 1.41 -0.07 -3.57 -1.04 -0.34 -5.09 114.28 101.08 1vj6 n THR 35 Ca -0.01 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 1vj6 n THR 35 Cb 0.09 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1vj6 n SER 36 N -2.90 -0.25 -3.35 8.00 2.88 -0.77 -5.05 113.62 112.18 1vj6 n SER 36 Ca -0.37 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 56.91 1vj6 n SER 36 Cb 1.10 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 64.36 1vj6 n SER 36 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1vj6 n VAL 37 N 2.62 1.39 0.00 2.46 0.31 -1.26 -4.94 118.33 118.91 1vj6 n VAL 37 Ca 0.00 -4.84 0.00 0.00 -0.01 0.00 0.00 64.34 59.49 1vj6 n VAL 37 Cb 0.00 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 1vj6 n VAL 37 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vj6 n ARG 38 N 1.03 0.00 0.00 5.55 0.63 -1.26 -1.02 116.66 121.59 1vj6 n ARG 38 Ca 0.27 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1vj6 n ARG 38 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 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 0.00 0.00 -0.14 -0.00 -1.26 -5.11 115.22 108.71 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 0.20 3.88 0.00 1.57 0.00 -0.19 -4.60 105.19 106.05 1vj6 n GLY 40 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.02 1.17 3.31 -0.02 0.00 -1.25 -4.82 105.19 103.55 1vj6 n GLY 41 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 0.74 0.08 -0.61 1.10 -0.36 -3.25 121.20 116.90 1vj6 s ILE 42 Ca 0.00 -2.00 0.02 0.00 -0.51 0.00 0.00 60.65 58.16 1vj6 s ILE 42 Cb 0.00 -2.43 -0.04 0.00 0.15 0.00 0.00 42.46 40.15 1vj6 s ILE 42 CO 0.00 -0.22 -0.07 -0.31 -2.11 0.00 0.00 174.94 172.24 1vj6 s TYR 43 N -3.62 0.79 0.01 3.50 1.51 -0.22 0.29 117.35 119.60 1vj6 s TYR 43 Ca 0.31 -0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 55.30 1vj6 s TYR 43 Cb 0.07 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.42 1vj6 s TYR 43 CO 0.10 -0.14 0.95 0.08 -1.11 0.00 0.00 175.55 175.43 1vj6 s VAL 44 N -2.86 4.85 -0.13 0.71 1.01 -1.25 -0.87 120.40 121.86 1vj6 s VAL 44 Ca 0.04 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1vj6 s VAL 44 Cb 0.00 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.84 1vj6 s VAL 44 CO -0.03 0.18 0.31 1.17 0.00 0.00 0.00 175.10 176.73 1vj6 n LYS 45 N 3.78 0.73 -3.76 2.72 4.81 0.67 -3.62 118.16 123.50 1vj6 n LYS 45 Ca 0.05 0.24 -0.12 0.00 -0.87 0.00 0.00 58.31 57.61 1vj6 n LYS 45 Cb 0.51 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 33.75 1vj6 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vj6 s ALA 46 N -2.56 -0.64 -0.00 3.14 0.00 -1.25 -4.83 121.76 115.62 1vj6 s ALA 46 Ca -0.22 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 1vj6 s ALA 46 Cb 0.07 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1vj6 s ALA 46 CO 0.75 -0.16 0.29 0.42 0.00 0.00 0.00 175.76 177.07 1vj6 s ILE 47 N 0.59 5.26 0.03 0.00 -1.09 -1.26 -2.22 121.20 122.51 1vj6 s ILE 47 Ca -0.04 0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 1vj6 s ILE 47 Cb -0.05 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1vj6 s ILE 47 CO -0.03 0.42 0.01 0.27 -1.23 0.00 0.00 174.94 174.38 1vj6 s ILE 48 N -1.24 4.20 -1.46 2.92 -4.36 -1.19 -5.04 121.20 115.03 1vj6 s ILE 48 Ca 0.26 -0.69 -0.13 0.00 -0.26 0.00 0.00 60.65 59.82 1vj6 s ILE 48 Cb -0.14 -2.92 0.04 0.00 1.25 0.00 0.00 42.46 40.69 1vj6 s ILE 48 CO 0.14 0.29 2.26 -0.81 0.24 0.00 0.00 174.94 177.07 1vj6 n PRO 49 N 1.10 2.97 -0.01 0.37 -0.04 -1.26 -4.40 135.00 133.73 1vj6 n PRO 49 Ca -0.13 -2.63 -0.01 0.00 -0.04 0.00 0.00 63.50 60.69 1vj6 n PRO 49 Cb 0.52 -3.23 -0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1vj6 n PRO 49 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vj6 n LYS 50 N 5.75 0.05 0.00 0.54 5.02 -1.26 -5.08 118.16 123.19 1vj6 n LYS 50 Ca 0.53 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1vj6 n LYS 50 Cb 0.38 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 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 1.87 0.00 0.00 0.72 0.00 -1.26 -5.04 105.19 101.48 1vj6 n GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 1.62 0.01 4.61 0.00 -1.26 -4.58 120.51 120.90 1vj6 n ALA 52 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1vj6 n ALA 52 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 0.06 1.24 -0.44 0.00 0.00 -1.31 -1.40 119.26 117.40 1vj6 h ALA 53 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1vj6 h ALA 53 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1vj6 h ALA 53 CO 0.00 0.50 0.07 1.49 0.00 0.00 0.00 179.25 181.31 1vj6 h GLU 54 N 0.46 0.66 -0.00 0.00 4.81 -1.82 -3.22 114.58 115.47 1vj6 h GLU 54 Ca 0.09 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1vj6 h GLU 54 Cb 0.50 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1vj6 h GLU 54 CO 0.03 0.63 0.00 0.45 -0.73 0.00 0.00 179.01 179.39 1vj6 n SER 55 N -4.29 0.04 0.00 1.04 2.88 -0.54 -3.73 113.62 109.02 1vj6 n SER 55 Ca 0.03 -1.27 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1vj6 n SER 55 Cb 0.23 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.84 0.00 0.00 -3.46 2.03 -1.14 -4.97 116.55 108.17 1vj6 n ASP 56 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1vj6 n ASP 56 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 1.54 1.42 0.10 0.27 0.00 -1.24 -5.00 105.19 102.29 1vj6 n GLY 57 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.64 1.61 3.08 -1.91 -3.46 114.38 107.07 1vj6 h ARG 58 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1vj6 h ARG 58 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 1vj6 h ARG 58 CO 0.00 0.00 0.64 0.42 -1.07 0.00 0.00 179.97 179.96 1vj6 s ILE 59 N -3.24 3.37 0.00 2.04 1.01 -1.26 -5.04 121.20 118.09 1vj6 s ILE 59 Ca 0.04 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1vj6 s ILE 59 Cb 0.11 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1vj6 s ILE 59 CO 0.73 0.15 0.00 1.57 0.00 0.00 0.00 174.94 177.39 1vj6 n HIS 60 N 2.92 0.00 -1.70 3.97 -0.00 -1.26 -4.96 115.22 114.20 1vj6 n HIS 60 Ca 0.07 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.89 1vj6 n HIS 60 Cb 0.43 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.36 1vj6 n HIS 60 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1vj6 n LYS 61 N 0.00 2.83 -1.25 1.57 2.85 -1.26 -4.21 118.16 118.68 1vj6 n LYS 61 Ca 0.00 -3.53 -0.02 0.00 -1.05 0.00 0.00 58.31 53.71 1vj6 n LYS 61 Cb 0.00 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.11 1vj6 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vj6 n GLY 62 N -0.72 0.15 4.02 2.58 0.00 -1.24 -4.66 105.19 105.33 1vj6 n GLY 62 Ca 0.56 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.49 4.90 -0.14 1.61 1.01 -1.26 -4.26 116.67 118.04 1vj6 s ASP 63 Ca 0.02 -0.71 -0.00 0.00 0.71 0.00 0.00 52.55 52.57 1vj6 s ASP 63 Cb 0.08 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 44.20 1vj6 s ASP 63 CO -0.02 -1.48 -0.13 -0.60 0.21 0.00 0.00 175.17 173.15 1vj6 s ARG 64 N -4.79 3.36 -0.41 8.23 3.52 -0.61 -3.97 118.95 124.28 1vj6 s ARG 64 Ca 0.63 -0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 55.38 1vj6 s ARG 64 Cb -0.06 -2.65 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 1vj6 s ARG 64 CO 0.40 0.16 0.37 0.08 -0.81 0.00 0.00 175.30 175.50 1vj6 s VAL 65 N 0.49 5.18 -0.18 7.11 1.01 0.14 0.00 120.40 134.16 1vj6 s VAL 65 Ca -0.09 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1vj6 s VAL 65 Cb -0.16 -3.98 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 1vj6 s VAL 65 CO 0.04 -0.36 0.34 0.17 0.00 0.00 0.00 175.10 175.30 1vj6 h LEU 66 N 8.84 0.07 -8.43 3.92 -0.00 -1.04 -0.94 115.31 117.73 1vj6 h LEU 66 Ca -0.27 -0.65 -0.21 0.00 -0.00 0.00 0.00 57.88 56.75 1vj6 h LEU 66 Cb 1.12 -0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 41.60 1vj6 h LEU 66 CO 0.76 1.46 -0.69 0.00 -0.00 0.00 0.00 178.44 179.97 1vj6 s ALA 67 N -2.37 0.92 -0.16 0.17 0.00 -1.06 -2.98 121.76 116.28 1vj6 s ALA 67 Ca -0.26 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 1vj6 s ALA 67 Cb 0.04 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.49 1vj6 s ALA 67 CO 0.64 -0.29 0.02 0.08 0.00 0.00 0.00 175.76 176.21 1vj6 s VAL 68 N -3.71 0.57 -1.82 0.00 1.01 0.49 -0.43 120.40 116.51 1vj6 s VAL 68 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1vj6 s VAL 68 Cb 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1vj6 s VAL 68 CO -0.04 -0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.59 1vj6 n ASN 69 N 5.05 -5.50 -0.03 3.32 3.02 -0.74 -0.76 115.26 119.62 1vj6 n ASN 69 Ca -0.09 0.16 -0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1vj6 n ASN 69 Cb 0.48 -4.68 -0.00 0.00 -0.61 0.00 0.00 39.78 34.97 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 -0.79 0.47 3.30 7.41 0.00 -1.26 -5.00 105.19 109.33 1vj6 n GLY 70 Ca -0.22 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.97 5.09 0.52 1.61 1.01 0.06 -5.06 120.40 121.67 1vj6 s VAL 71 Ca 0.00 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.26 1vj6 s VAL 71 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1vj6 s VAL 71 CO 0.00 -0.84 1.18 -0.55 0.00 0.00 0.00 175.10 174.88 1vj6 s SER 72 N 3.44 5.74 0.45 3.32 0.15 -1.26 -0.38 113.70 125.16 1vj6 s SER 72 Ca 0.03 2.31 0.12 0.00 0.70 0.00 0.00 55.95 59.11 1vj6 s SER 72 Cb -0.29 -2.60 1.03 0.00 -1.71 0.00 0.00 66.02 62.45 1vj6 s SER 72 CO 0.03 -1.21 2.07 -0.07 1.20 0.00 0.00 173.24 175.25 1vj6 h LEU 73 N 1.46 0.20 -1.80 3.45 3.38 -1.85 -3.47 115.31 116.67 1vj6 h LEU 73 Ca -0.50 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.16 1vj6 h LEU 73 Cb 1.27 -0.05 0.16 0.00 0.09 0.00 0.00 40.66 42.13 1vj6 h LEU 73 CO 0.58 0.19 -0.73 1.21 0.09 0.00 0.00 178.44 179.78 1vj6 n GLU 74 N -4.46 -5.54 -2.68 1.13 2.13 -1.26 -2.25 120.64 107.71 1vj6 n GLU 74 Ca -0.01 0.80 -0.13 0.00 0.66 0.00 0.00 57.16 58.48 1vj6 n GLU 74 Cb 0.12 -5.64 0.02 0.00 0.27 0.00 0.00 31.44 26.21 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vj6 n GLY 75 N -1.14 -0.01 3.86 8.31 0.00 -1.26 -5.03 105.19 109.91 1vj6 n GLY 75 Ca -0.24 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.89 3.32 0.00 4.61 0.00 -0.96 -4.83 121.76 121.01 1vj6 s ALA 76 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1vj6 s ALA 76 Cb -0.07 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1vj6 s ALA 76 CO 0.21 0.18 0.00 0.25 0.00 0.00 0.00 175.76 176.40 1vj6 n THR 77 N -0.77 0.00 0.10 0.00 -2.24 -1.26 -0.83 114.28 109.28 1vj6 n THR 77 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1vj6 n THR 77 Cb 0.53 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.00 -0.16 -0.13 4.78 -0.00 -1.92 -1.64 115.15 116.09 1vj6 h HIS 78 Ca 0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 1vj6 h HIS 78 Cb 0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1vj6 h HIS 78 CO 0.00 -0.09 -0.19 0.87 -0.00 0.00 0.00 177.93 178.52 1vj6 h LYS 79 N -0.19 0.35 -0.26 5.26 1.57 -1.95 -2.41 116.57 118.95 1vj6 h LYS 79 Ca -0.02 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1vj6 h LYS 79 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1vj6 h LYS 79 CO 0.03 0.79 -0.20 1.96 -0.57 0.00 0.00 179.45 181.45 1vj6 h GLN 80 N -0.05 0.47 -0.87 3.15 4.20 -1.93 -2.49 115.11 117.60 1vj6 h GLN 80 Ca 0.01 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1vj6 h GLN 80 Cb 0.75 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1vj6 h GLN 80 CO 0.04 0.65 0.54 0.00 -0.67 0.00 0.00 178.83 179.40 1vj6 h ALA 81 N 1.36 1.10 -0.12 3.87 0.00 -1.20 0.01 119.26 124.29 1vj6 h ALA 81 Ca 0.07 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1vj6 h ALA 81 Cb 0.59 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1vj6 h ALA 81 CO 0.04 0.54 -0.06 0.28 0.00 0.00 0.00 179.25 180.05 1vj6 h VAL 82 N 1.18 0.80 -0.96 0.00 2.07 -1.19 -2.17 116.25 115.98 1vj6 h VAL 82 Ca 0.31 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.86 1vj6 h VAL 82 Cb -0.08 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1vj6 h VAL 82 CO -0.06 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.83 1vj6 h GLU 83 N -0.06 1.21 -0.06 1.57 5.08 -1.16 0.60 114.58 121.77 1vj6 h GLU 83 Ca 0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1vj6 h GLU 83 Cb 0.16 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1vj6 h GLU 83 CO -0.15 0.80 0.04 1.15 -1.00 0.00 0.00 179.01 179.85 1vj6 h THR 84 N 1.25 1.00 0.10 1.13 2.02 -0.57 0.10 112.91 117.94 1vj6 h THR 84 Ca 0.37 -0.02 -0.34 0.00 0.77 0.00 0.00 66.41 67.19 1vj6 h THR 84 Cb -0.07 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1vj6 h THR 84 CO -0.10 0.01 -1.84 -0.07 0.37 0.00 0.00 175.52 173.89 1vj6 h LEU 85 N 0.05 0.34 0.00 2.58 3.38 -0.91 -3.42 115.31 117.34 1vj6 h LEU 85 Ca 0.02 -0.87 -0.13 0.00 0.09 0.00 0.00 57.88 57.00 1vj6 h LEU 85 Cb 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1vj6 h LEU 85 CO -0.00 1.79 -1.08 -0.09 0.09 0.00 0.00 178.44 179.14 1vj6 h ARG 86 N -0.15 0.00 -0.88 1.13 1.12 -0.68 -3.35 114.38 111.58 1vj6 h ARG 86 Ca -0.41 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.35 1vj6 h ARG 86 Cb 1.89 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.78 1vj6 h ARG 86 CO 0.03 0.32 0.15 -1.71 -3.11 0.00 0.00 179.97 175.65 1vj6 n ASN 87 N -2.97 3.39 -4.95 -3.80 5.15 0.00 -4.91 115.26 107.18 1vj6 n ASN 87 Ca -0.05 -2.62 -0.23 0.00 -0.60 0.00 0.00 54.58 51.08 1vj6 n ASN 87 Cb 0.77 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 -1.79 4.53 -1.34 -0.44 -4.23 -1.26 -5.01 115.64 106.11 1vj6 s THR 88 Ca 0.28 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 60.19 1vj6 s THR 88 Cb 0.22 -3.66 0.12 0.00 1.34 0.00 0.00 72.50 70.53 1vj6 s THR 88 CO 0.07 -0.43 2.21 0.61 -0.54 0.00 0.00 174.62 176.54 1vj6 n GLY 89 N -1.90 4.89 5.00 3.99 0.00 -1.26 -4.79 105.19 111.12 1vj6 n GLY 89 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 3.08 0.00 -2.46 1.61 7.27 -1.26 -4.90 117.38 120.72 1vj6 n GLN 90 Ca 0.53 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 57.19 1vj6 n GLN 90 Cb 0.30 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.92 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 3.96 -0.24 1.69 1.01 -1.26 -4.05 120.40 121.51 1vj6 s VAL 91 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1vj6 s VAL 91 Cb 0.00 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.47 1vj6 s VAL 91 CO 0.00 0.18 -0.03 -0.69 0.00 0.00 0.00 175.10 174.56 1vj6 s VAL 92 N 0.48 1.47 -0.50 2.92 1.01 0.51 -4.91 120.40 121.38 1vj6 s VAL 92 Ca 0.54 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 1vj6 s VAL 92 Cb -0.29 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1vj6 s VAL 92 CO 0.32 -0.17 1.31 -1.00 0.00 0.00 0.00 175.10 175.56 1vj6 s HIS 93 N 1.41 2.50 -0.59 5.22 3.76 -1.26 -0.84 115.29 125.49 1vj6 s HIS 93 Ca -0.04 0.59 -0.27 0.00 -0.15 0.00 0.00 55.06 55.19 1vj6 s HIS 93 Cb -0.19 -4.40 0.03 0.00 1.11 0.00 0.00 32.58 29.14 1vj6 s HIS 93 CO -0.08 -1.75 1.12 -0.51 -0.85 0.00 0.00 174.74 172.68 1vj6 s LEU 94 N 5.31 3.63 -0.87 0.89 2.01 0.12 -1.79 118.68 127.98 1vj6 s LEU 94 Ca 0.53 -0.10 -0.23 0.00 0.01 0.00 0.00 54.13 54.34 1vj6 s LEU 94 Cb -0.10 -2.99 0.07 0.00 0.01 0.00 0.00 46.19 43.18 1vj6 s LEU 94 CO 0.29 -1.44 1.24 -0.22 1.01 0.00 0.00 176.35 177.22 1vj6 s LEU 95 N 4.73 4.01 -0.10 1.79 0.20 0.43 -1.18 118.68 128.57 1vj6 s LEU 95 Ca 0.38 -1.32 -0.09 0.00 0.69 0.00 0.00 54.13 53.80 1vj6 s LEU 95 Cb -0.09 -2.49 -0.04 0.00 -0.43 0.00 0.00 46.19 43.13 1vj6 s LEU 95 CO 0.22 -1.45 0.20 -0.76 -0.29 0.00 0.00 176.35 174.27 1vj6 s LEU 96 N 4.35 4.40 -0.10 -0.68 1.43 -0.38 -0.49 118.68 127.21 1vj6 s LEU 96 Ca 0.36 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1vj6 s LEU 96 Cb -0.06 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1vj6 s LEU 96 CO -0.01 0.39 -0.05 -0.70 0.23 0.00 0.00 176.35 176.21 1vj6 s GLU 97 N -1.00 3.15 -0.20 1.70 2.12 0.10 -1.41 118.70 123.16 1vj6 s GLU 97 Ca 0.17 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 1vj6 s GLU 97 Cb -0.13 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 1vj6 s GLU 97 CO 0.06 0.50 1.64 0.21 -0.54 0.00 0.00 175.26 177.13 1vj6 s LYS 98 N -0.35 3.81 -0.36 4.30 2.47 -0.82 -1.57 119.74 127.22 1vj6 s LYS 98 Ca 0.06 1.72 -0.00 0.00 -1.56 0.00 0.00 55.97 56.19 1vj6 s LYS 98 Cb -0.12 -4.04 0.30 0.00 -1.46 0.00 0.00 37.83 32.51 1vj6 s LYS 98 CO 0.02 -1.28 1.89 0.41 0.16 0.00 0.00 175.35 176.56 1vj6 n GLY 99 N 4.64 4.23 3.54 5.54 0.00 -1.26 -3.04 105.19 118.83 1vj6 n GLY 99 Ca 0.19 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.19 1.95 0.12 1.61 -0.21 -1.26 -4.81 119.66 114.87 1vj6 s GLN 100 Ca 0.37 -1.20 -0.22 0.00 0.02 0.00 0.00 55.36 54.33 1vj6 s GLN 100 Cb 0.30 -2.16 -0.07 0.00 1.00 0.00 0.00 33.01 32.08 1vj6 s GLN 100 CO 0.01 0.46 0.67 0.08 -2.12 0.00 0.00 175.29 174.40 1vj6 s VAL 101 N -1.40 4.56 -2.00 1.09 1.01 -1.26 -4.57 120.40 117.82 1vj6 s VAL 101 Ca 0.21 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.66 1vj6 s VAL 101 Cb -0.10 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.31 1vj6 s VAL 101 CO 0.13 0.53 0.58 -2.65 0.00 0.00 0.00 175.10 173.69