#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 2.24 0.77 0.03 -0.14 -1.26 -5.02 119.74 116.36 1vj6 s LYS 9 Ca 0.00 -0.95 -0.11 0.00 -1.36 0.00 0.00 55.97 53.55 1vj6 s LYS 9 Cb 0.00 -2.35 0.05 0.00 -1.68 0.00 0.00 37.83 33.85 1vj6 s LYS 9 CO 0.00 0.53 1.08 -1.25 -0.76 0.00 0.00 175.35 174.95 1vj6 s PRO 10 N -1.98 2.31 0.00 -1.68 0.04 -1.26 -3.68 135.00 128.75 1vj6 s PRO 10 Ca 0.20 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1vj6 s PRO 10 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1vj6 s PRO 10 CO 0.12 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1vj6 n GLY 11 N -1.70 1.76 3.43 0.56 0.00 -1.26 -4.99 105.19 102.99 1vj6 n GLY 11 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.37 6.30 0.04 1.61 2.15 -1.24 -5.01 116.67 117.16 1vj6 s ASP 12 Ca 0.00 -1.43 -0.00 0.00 0.43 0.00 0.00 52.55 51.55 1vj6 s ASP 12 Cb 0.00 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1vj6 s ASP 12 CO 0.00 -1.23 0.18 0.42 -0.17 0.00 0.00 175.17 174.37 1vj6 s THR 13 N 3.21 5.28 -0.08 1.71 -4.23 -1.26 -2.21 115.64 118.06 1vj6 s THR 13 Ca 0.21 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1vj6 s THR 13 Cb -0.16 -3.54 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1vj6 s THR 13 CO 0.04 0.19 -0.08 0.72 -0.54 0.00 0.00 174.62 174.95 1vj6 s PHE 14 N -1.44 1.27 -1.09 3.99 -0.71 -0.17 -5.01 117.98 114.82 1vj6 s PHE 14 Ca 0.32 -0.53 -0.12 0.00 -1.04 0.00 0.00 56.93 55.56 1vj6 s PHE 14 Cb -0.13 -1.04 0.23 0.00 -1.21 0.00 0.00 43.02 40.86 1vj6 s PHE 14 CO 0.24 -0.37 1.17 -1.21 -1.34 0.00 0.00 175.22 173.71 1vj6 s GLU 15 N 1.29 4.05 0.57 1.99 2.02 -1.26 -1.57 118.70 125.79 1vj6 s GLU 15 Ca -0.04 -2.82 -0.17 0.00 0.02 0.00 0.00 54.97 51.97 1vj6 s GLU 15 Cb -0.14 -4.72 -0.05 0.00 0.10 0.00 0.00 34.13 29.32 1vj6 s GLU 15 CO -0.03 -1.45 1.05 0.08 0.02 0.00 0.00 175.26 174.93 1vj6 s VAL 16 N 0.10 3.82 -0.10 2.63 1.01 -0.37 -4.88 120.40 122.61 1vj6 s VAL 16 Ca 0.33 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1vj6 s VAL 16 Cb -0.07 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1vj6 s VAL 16 CO -0.06 -0.46 -0.09 -1.83 0.00 0.00 0.00 175.10 172.67 1vj6 s GLU 17 N -3.90 1.57 0.18 2.72 -1.05 -1.26 -0.49 118.70 116.47 1vj6 s GLU 17 Ca 0.64 -0.29 0.11 0.00 -0.15 0.00 0.00 54.97 55.28 1vj6 s GLU 17 Cb -0.16 -1.55 -0.04 0.00 -0.44 0.00 0.00 34.13 31.94 1vj6 s GLU 17 CO 0.33 -0.20 -0.24 -0.51 0.95 0.00 0.00 175.26 175.59 1vj6 s LEU 18 N 1.46 2.42 -0.37 1.83 1.43 0.65 -4.96 118.68 121.14 1vj6 s LEU 18 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1vj6 s LEU 18 Cb -0.13 -1.19 0.10 0.00 0.03 0.00 0.00 46.19 45.00 1vj6 s LEU 18 CO -0.06 0.13 0.12 0.00 0.23 0.00 0.00 176.35 176.78 1vj6 s ALA 19 N -1.53 3.02 0.02 4.21 0.00 -1.26 -0.59 121.76 125.62 1vj6 s ALA 19 Ca 0.19 -2.46 -0.34 0.00 0.00 0.00 0.00 51.96 49.36 1vj6 s ALA 19 Cb -0.08 -2.18 -0.12 0.00 0.00 0.00 0.00 23.12 20.73 1vj6 s ALA 19 CO 0.09 -1.70 1.78 1.63 0.00 0.00 0.00 175.76 177.55 1vj6 n LYS 20 N 4.46 2.23 -2.80 0.00 4.01 -1.18 -4.87 118.16 120.01 1vj6 n LYS 20 Ca -0.01 0.81 -0.43 0.00 -0.51 0.00 0.00 58.31 58.18 1vj6 n LYS 20 Cb 0.42 -2.64 -0.04 0.00 -0.51 0.00 0.00 35.03 32.26 1vj6 n LYS 20 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1vj6 s THR 21 N 2.89 4.30 -1.23 -0.18 -1.32 -0.72 -3.47 115.64 115.93 1vj6 s THR 21 Ca 0.87 0.23 0.00 0.00 -1.21 0.00 0.00 61.69 61.58 1vj6 s THR 21 Cb -0.67 -4.60 0.00 0.00 -1.51 0.00 0.00 72.50 65.72 1vj6 s THR 21 CO 0.46 -1.24 0.00 -0.67 -2.21 0.00 0.00 174.62 170.96 1vj6 n ASP 22 N 7.71 -5.20 -0.75 8.08 2.03 -1.26 -4.04 116.55 123.12 1vj6 n ASP 22 Ca 0.01 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1vj6 n ASP 22 Cb 0.47 -3.72 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 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 -0.49 -0.70 0.00 0.27 0.00 -1.23 -5.11 105.19 97.94 1vj6 n GLY 23 Ca -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1vj6 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vj6 n SER 24 N -0.14 0.00 -0.15 1.61 3.41 -1.26 -5.01 113.62 112.09 1vj6 n SER 24 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1vj6 n SER 24 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1vj6 n SER 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1vj6 h LEU 25 N 0.00 0.94 0.00 1.04 3.38 -1.91 -1.91 115.31 116.86 1vj6 h LEU 25 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1vj6 h LEU 25 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1vj6 h LEU 25 CO 0.00 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.26 1vj6 n GLY 26 N -0.11 1.78 3.20 0.83 0.00 -1.26 -0.21 105.19 109.41 1vj6 n GLY 26 Ca -0.01 0.00 -0.31 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 -2.00 1.91 -0.26 -0.61 -4.36 -1.26 -2.61 121.20 112.01 1vj6 s ILE 27 Ca 0.00 -0.94 -0.23 0.00 -0.26 0.00 0.00 60.65 59.22 1vj6 s ILE 27 Cb 0.00 -1.66 -0.01 0.00 1.25 0.00 0.00 42.46 42.04 1vj6 s ILE 27 CO 0.00 0.53 0.75 -0.44 0.24 0.00 0.00 174.94 176.02 1vj6 s SER 28 N 0.32 6.70 0.01 4.36 0.01 -0.91 -4.97 113.70 119.22 1vj6 s SER 28 Ca -0.16 0.83 -0.24 0.00 1.31 0.00 0.00 55.95 57.69 1vj6 s SER 28 Cb -0.17 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1vj6 s SER 28 CO 0.08 -0.49 0.71 0.68 0.41 0.00 0.00 173.24 174.63 1vj6 s VAL 29 N 2.75 4.84 0.35 3.43 -7.23 -1.26 -0.63 120.40 122.65 1vj6 s VAL 29 Ca 0.31 1.50 0.04 0.00 -1.81 0.00 0.00 61.98 62.03 1vj6 s VAL 29 Cb -0.15 -4.06 -0.07 0.00 0.56 0.00 0.00 36.38 32.67 1vj6 s VAL 29 CO 0.09 0.35 0.05 0.28 -0.31 0.00 0.00 175.10 175.56 1vj6 s THR 30 N 0.10 1.36 0.00 5.32 -1.32 0.07 -4.88 115.64 116.29 1vj6 s THR 30 Ca 0.37 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 1vj6 s THR 30 Cb -0.19 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.97 1vj6 s THR 30 CO 0.21 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 1vj6 n GLY 31 N -0.76 1.65 0.00 6.08 0.00 -1.26 -1.48 105.19 109.43 1vj6 n GLY 31 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.15 0.31 -0.02 0.00 -1.22 -4.36 105.19 99.74 1vj6 n GLY 32 Ca 0.00 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 -0.49 1.61 3.04 -0.94 -1.85 116.25 117.62 1vj6 h VAL 33 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 1vj6 h VAL 33 Cb 0.00 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 30.10 1vj6 h VAL 33 CO 0.00 0.00 0.04 -1.13 -1.01 0.00 0.00 177.57 175.47 1vj6 h ASN 34 N 0.00 0.82 0.00 3.17 -0.73 -1.84 -3.47 115.58 113.54 1vj6 h ASN 34 Ca 0.00 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 57.88 1vj6 h ASN 34 Cb 0.14 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1vj6 h ASN 34 CO 0.00 0.90 0.00 0.41 -0.37 0.00 0.00 177.43 178.37 1vj6 n THR 35 N -4.37 0.00 -3.30 -3.57 -1.04 -0.70 -5.04 114.28 96.26 1vj6 n THR 35 Ca 0.01 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.58 1vj6 n THR 35 Cb 0.29 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1vj6 n SER 36 N 0.00 5.60 -3.49 8.00 7.64 -1.23 -4.95 113.62 125.20 1vj6 n SER 36 Ca 0.00 -3.12 -0.20 0.00 1.01 0.00 0.00 58.87 56.56 1vj6 n SER 36 Cb 0.00 -1.33 -0.05 0.00 -1.01 0.00 0.00 64.21 61.82 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 2.37 0.00 -0.06 0.44 0.24 -1.26 -4.40 118.33 115.66 1vj6 n VAL 37 Ca 0.24 -1.72 -0.08 0.00 -2.04 0.00 0.00 64.34 60.74 1vj6 n VAL 37 Cb 0.38 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 33.19 1vj6 n VAL 37 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1vj6 h ARG 38 N 0.00 0.00 0.00 7.34 3.08 -1.95 -3.46 114.38 119.39 1vj6 h ARG 38 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1vj6 h ARG 38 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1vj6 h ARG 38 CO 0.42 0.53 0.00 0.72 -1.07 0.00 0.00 179.97 180.57 1vj6 n HIS 39 N -4.68 0.00 0.00 3.04 8.25 -1.26 -5.13 115.22 115.44 1vj6 n HIS 39 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1vj6 n HIS 39 Cb 0.27 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vj6 n GLY 40 N 0.00 1.67 0.00 -1.41 0.00 -1.26 -4.55 105.19 99.64 1vj6 n GLY 40 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 2.71 3.54 -0.02 0.00 -1.16 -4.89 105.19 105.36 1vj6 n GLY 41 Ca 0.00 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 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 2.96 0.08 -0.61 1.10 -0.82 -3.45 121.20 118.46 1vj6 s ILE 42 Ca 0.00 -1.87 0.04 0.00 -0.51 0.00 0.00 60.65 58.31 1vj6 s ILE 42 Cb 0.00 -2.48 -0.03 0.00 0.15 0.00 0.00 42.46 40.10 1vj6 s ILE 42 CO 0.00 -0.19 -0.11 -0.31 -2.11 0.00 0.00 174.94 172.22 1vj6 s TYR 43 N -1.89 1.05 -0.48 3.50 1.51 -0.55 0.15 117.35 120.65 1vj6 s TYR 43 Ca 0.26 -0.55 -0.20 0.00 -1.01 0.00 0.00 57.07 55.57 1vj6 s TYR 43 Cb -0.08 -0.59 0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1vj6 s TYR 43 CO 0.15 0.01 0.63 0.08 -1.11 0.00 0.00 175.55 175.30 1vj6 s VAL 44 N -1.79 4.86 -0.10 0.71 1.01 -0.72 -0.75 120.40 123.61 1vj6 s VAL 44 Ca -0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1vj6 s VAL 44 Cb -0.07 -4.25 -0.28 0.00 0.00 0.00 0.00 36.38 31.78 1vj6 s VAL 44 CO 0.01 -0.71 0.53 0.50 0.00 0.00 0.00 175.10 175.43 1vj6 h LYS 45 N 8.94 0.28 -4.71 2.72 1.63 -1.17 -3.32 116.57 120.96 1vj6 h LYS 45 Ca -0.27 -0.49 -0.49 0.00 -0.85 0.00 0.00 60.65 58.56 1vj6 h LYS 45 Cb 1.10 0.18 -0.32 0.00 -0.60 0.00 0.00 32.23 32.59 1vj6 h LYS 45 CO 0.93 1.23 -0.81 0.00 -3.45 0.00 0.00 179.45 177.35 1vj6 s ALA 46 N -2.52 1.16 -0.21 5.00 0.00 -1.20 -4.88 121.76 119.11 1vj6 s ALA 46 Ca -0.20 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1vj6 s ALA 46 Cb 0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1vj6 s ALA 46 CO 0.79 0.15 0.14 0.42 0.00 0.00 0.00 175.76 177.26 1vj6 s ILE 47 N 0.38 5.40 -0.37 0.00 -1.09 -1.26 -2.14 121.20 122.10 1vj6 s ILE 47 Ca -0.08 0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 58.37 1vj6 s ILE 47 Cb -0.12 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1vj6 s ILE 47 CO 0.02 0.42 0.43 -0.63 -1.23 0.00 0.00 174.94 173.95 1vj6 s ILE 48 N 0.51 5.09 -1.50 2.92 1.01 -1.07 -4.99 121.20 123.17 1vj6 s ILE 48 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 1vj6 s ILE 48 Cb -0.12 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1vj6 s ILE 48 CO -0.00 -0.25 2.49 -0.81 0.00 0.00 0.00 174.94 176.37 1vj6 n PRO 49 N 5.58 3.13 0.00 2.79 -0.04 -1.26 -3.00 135.00 142.20 1vj6 n PRO 49 Ca -0.07 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.97 1vj6 n PRO 49 Cb 0.49 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 1vj6 n PRO 49 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1vj6 n LYS 50 N 5.17 0.00 0.00 0.54 2.85 -1.26 -5.11 118.16 120.35 1vj6 n LYS 50 Ca 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 1vj6 n LYS 50 Cb 0.33 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vj6 n GLY 51 N 0.00 0.66 0.00 2.58 0.00 -1.16 -5.08 105.19 102.19 1vj6 n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.49 -0.07 4.61 0.00 0.37 -4.82 120.51 119.09 1vj6 n ALA 52 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1vj6 n ALA 52 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.42 -0.30 0.00 0.00 -0.92 -2.53 119.26 115.93 1vj6 h ALA 53 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1vj6 h ALA 53 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1vj6 h ALA 53 CO 0.00 0.64 0.06 1.49 0.00 0.00 0.00 179.25 181.43 1vj6 h GLU 54 N 0.60 0.44 0.00 0.00 4.57 -1.80 -1.76 114.58 116.63 1vj6 h GLU 54 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1vj6 h GLU 54 Cb 1.16 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1vj6 h GLU 54 CO 0.12 0.42 0.00 0.45 -1.18 0.00 0.00 179.01 178.83 1vj6 n SER 55 N -4.35 0.00 0.00 1.04 2.88 -0.97 -2.26 113.62 109.95 1vj6 n SER 55 Ca 0.01 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 1vj6 n SER 55 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.92 0.00 0.00 -3.46 2.03 -0.66 -5.02 116.55 108.52 1vj6 n ASP 56 Ca 0.12 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1vj6 n ASP 56 Cb 0.06 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 0.74 1.06 0.02 0.27 0.00 -0.96 -4.99 105.19 101.32 1vj6 n GLY 57 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.17 -3.09 1.61 1.74 -1.26 -4.95 116.66 110.87 1vj6 n ARG 58 Ca 0.00 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.68 1vj6 n ARG 58 Cb 0.00 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 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 -3.12 4.63 0.09 0.55 1.01 -1.26 -5.07 121.20 118.03 1vj6 s ILE 59 Ca 0.06 1.49 0.01 0.00 0.00 0.00 0.00 60.65 62.21 1vj6 s ILE 59 Cb 0.15 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 1vj6 s ILE 59 CO 0.80 0.48 0.02 1.57 0.00 0.00 0.00 174.94 177.81 1vj6 n HIS 60 N 2.07 0.08 -0.93 3.97 -0.00 -1.26 -4.98 115.22 114.16 1vj6 n HIS 60 Ca -0.06 -0.53 -0.23 0.00 0.46 0.00 0.00 57.72 57.36 1vj6 n HIS 60 Cb 0.50 -0.02 0.09 0.00 -0.12 0.00 0.00 29.99 30.44 1vj6 n HIS 60 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vj6 n LYS 61 N -0.20 2.12 -0.34 1.57 5.02 -1.26 -3.55 118.16 121.52 1vj6 n LYS 61 Ca -0.02 -2.35 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 1vj6 n LYS 61 Cb 0.13 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 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 -0.46 0.19 3.89 0.72 0.00 -1.25 -4.76 105.19 103.53 1vj6 n GLY 62 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.35 6.53 -0.22 1.61 1.01 -1.23 -4.19 116.67 119.83 1vj6 s ASP 63 Ca 0.00 0.76 -0.14 0.00 0.71 0.00 0.00 52.55 53.88 1vj6 s ASP 63 Cb 0.00 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1vj6 s ASP 63 CO 0.00 -0.08 0.30 -0.60 0.21 0.00 0.00 175.17 175.01 1vj6 s ARG 64 N -3.01 4.12 -0.47 8.23 3.52 -1.01 -1.76 118.95 128.57 1vj6 s ARG 64 Ca 0.44 0.01 -0.22 0.00 -0.13 0.00 0.00 55.73 55.83 1vj6 s ARG 64 Cb -0.11 -3.55 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1vj6 s ARG 64 CO 0.25 -0.02 0.78 0.08 -0.81 0.00 0.00 175.30 175.57 1vj6 s VAL 65 N 1.29 4.65 -0.14 7.11 1.01 0.12 -0.39 120.40 134.05 1vj6 s VAL 65 Ca 0.14 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1vj6 s VAL 65 Cb -0.14 -4.34 -0.25 0.00 0.00 0.00 0.00 36.38 31.65 1vj6 s VAL 65 CO 0.07 -0.79 0.27 0.00 0.00 0.00 0.00 175.10 174.65 1vj6 n LEU 66 N 6.73 2.64 -3.83 3.92 -0.00 -0.07 -1.94 117.00 124.46 1vj6 n LEU 66 Ca 0.01 0.15 -0.11 0.00 -0.00 0.00 0.00 56.01 56.06 1vj6 n LEU 66 Cb 0.48 -1.05 -0.09 0.00 -0.00 0.00 0.00 43.42 42.76 1vj6 n LEU 66 CO 0.58 0.86 -0.09 0.00 -0.00 0.00 0.00 177.39 178.75 1vj6 s ALA 67 N -2.55 -0.45 -0.11 1.47 0.00 -1.05 -0.65 121.76 118.41 1vj6 s ALA 67 Ca -0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1vj6 s ALA 67 Cb 0.07 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1vj6 s ALA 67 CO 0.74 -0.31 -0.02 0.08 0.00 0.00 0.00 175.76 176.26 1vj6 s VAL 68 N -2.02 0.62 -1.66 0.00 1.01 0.82 -0.33 120.40 118.83 1vj6 s VAL 68 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1vj6 s VAL 68 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1vj6 s VAL 68 CO -0.01 0.21 0.00 -3.20 0.00 0.00 0.00 175.10 172.10 1vj6 n ASN 69 N 5.06 -5.52 0.00 3.32 5.15 -0.02 -0.90 115.26 122.35 1vj6 n ASN 69 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1vj6 n ASN 69 Cb 0.49 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vj6 n GLY 70 N -1.00 0.78 3.33 8.20 0.00 -1.26 -4.98 105.19 110.26 1vj6 n GLY 70 Ca -0.23 0.00 -0.41 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 -3.12 4.51 0.27 1.61 1.01 -0.07 -5.03 120.40 119.58 1vj6 s VAL 71 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 1vj6 s VAL 71 Cb 0.00 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1vj6 s VAL 71 CO 0.00 -0.39 1.23 -0.44 0.00 0.00 0.00 175.10 175.50 1vj6 s SER 72 N 1.92 6.99 -0.11 3.32 0.01 -1.26 -0.13 113.70 124.44 1vj6 s SER 72 Ca 0.03 2.45 -0.00 0.00 1.31 0.00 0.00 55.95 59.73 1vj6 s SER 72 Cb -0.21 -2.63 0.09 0.00 0.21 0.00 0.00 66.02 63.47 1vj6 s SER 72 CO 0.05 -0.39 1.83 0.18 0.41 0.00 0.00 173.24 175.32 1vj6 n LEU 73 N 1.51 5.33 -4.11 2.44 4.77 0.17 -4.79 117.00 122.32 1vj6 n LEU 73 Ca 0.01 -2.56 -0.43 0.00 -0.03 0.00 0.00 56.01 53.01 1vj6 n LEU 73 Cb 0.43 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1vj6 n LEU 73 CO 0.57 0.99 2.07 1.21 -1.33 0.00 0.00 177.39 180.90 1vj6 n GLU 74 N 0.90 3.25 0.00 3.23 4.07 -1.26 -1.83 120.64 129.00 1vj6 n GLU 74 Ca 0.11 -3.26 0.00 0.00 -0.06 0.00 0.00 57.16 53.95 1vj6 n GLU 74 Cb 0.56 -3.19 0.00 0.00 -0.06 0.00 0.00 31.44 28.76 1vj6 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vj6 n GLY 75 N 4.03 1.28 3.78 8.31 0.00 -1.26 -5.05 105.19 116.27 1vj6 n GLY 75 Ca 0.45 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.84 3.42 0.39 4.61 0.00 -0.76 -4.83 121.76 122.76 1vj6 s ALA 76 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1vj6 s ALA 76 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1vj6 s ALA 76 CO 0.00 0.28 0.00 0.25 0.00 0.00 0.00 175.76 176.29 1vj6 n THR 77 N 1.48 0.00 0.23 0.00 -2.24 -1.26 -0.42 114.28 112.07 1vj6 n THR 77 Ca -0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 1vj6 n THR 77 Cb 0.49 -1.39 -0.08 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.55 -0.35 4.78 2.76 -1.91 -2.27 115.15 117.58 1vj6 h HIS 78 Ca 0.00 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.01 1vj6 h HIS 78 Cb 0.00 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1vj6 h HIS 78 CO 0.00 -0.23 -0.36 -0.22 -1.30 0.00 0.00 177.93 175.82 1vj6 h LYS 79 N -0.92 0.81 -0.44 5.26 3.64 -1.98 -1.99 116.57 120.95 1vj6 h LYS 79 Ca -0.06 -0.41 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 1vj6 h LYS 79 Cb 0.57 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1vj6 h LYS 79 CO 0.10 1.04 -0.07 0.37 -2.27 0.00 0.00 179.45 178.61 1vj6 h GLN 80 N 0.67 0.76 -0.62 1.90 4.15 -1.93 -1.51 115.11 118.52 1vj6 h GLN 80 Ca 0.06 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1vj6 h GLN 80 Cb 0.92 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 1vj6 h GLN 80 CO 0.08 0.82 0.14 0.00 -1.93 0.00 0.00 178.83 177.94 1vj6 h ALA 81 N 1.22 0.82 -0.21 3.38 0.00 -1.29 -1.63 119.26 121.56 1vj6 h ALA 81 Ca 0.13 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1vj6 h ALA 81 Cb 0.53 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1vj6 h ALA 81 CO 0.03 0.54 -0.03 0.28 0.00 0.00 0.00 179.25 180.07 1vj6 h VAL 82 N 0.92 0.81 -0.62 0.00 2.07 -1.12 -1.43 116.25 116.88 1vj6 h VAL 82 Ca 0.19 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 1vj6 h VAL 82 Cb 0.38 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1vj6 h VAL 82 CO 0.00 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.44 1vj6 h GLU 83 N 0.02 0.95 0.00 1.57 5.08 -1.22 0.14 114.58 121.12 1vj6 h GLU 83 Ca 0.10 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1vj6 h GLU 83 Cb 0.14 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1vj6 h GLU 83 CO -0.20 0.83 -0.15 1.15 -1.00 0.00 0.00 179.01 179.64 1vj6 h THR 84 N 0.91 0.58 0.04 1.13 2.02 -0.82 0.95 112.91 117.72 1vj6 h THR 84 Ca 0.20 -0.68 -0.30 0.00 0.77 0.00 0.00 66.41 66.40 1vj6 h THR 84 Cb 0.29 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1vj6 h THR 84 CO -0.01 0.15 -1.68 0.18 0.37 0.00 0.00 175.52 174.53 1vj6 n LEU 85 N -3.60 2.17 0.04 2.58 4.77 -0.58 -4.72 117.00 117.66 1vj6 n LEU 85 Ca -0.01 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 1vj6 n LEU 85 Cb 0.28 -1.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.24 1vj6 n LEU 85 CO 0.31 0.52 -0.33 -0.09 -1.33 0.00 0.00 177.39 176.46 1vj6 h ARG 86 N -0.62 0.14 -1.18 3.23 1.12 -0.59 -3.33 114.38 113.16 1vj6 h ARG 86 Ca -0.42 -0.25 -0.34 0.00 -1.11 0.00 0.00 59.98 57.86 1vj6 h ARG 86 Cb 1.60 0.09 -0.17 0.00 -0.01 0.00 0.00 29.97 31.47 1vj6 h ARG 86 CO -0.13 0.94 0.43 -1.71 -3.11 0.00 0.00 179.97 176.40 1vj6 n ASN 87 N -3.33 4.82 -1.90 -3.80 5.15 0.31 -4.83 115.26 111.69 1vj6 n ASN 87 Ca -0.15 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 1vj6 n ASN 87 Cb 1.03 -0.84 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 0.35 1.40 0.00 0.00 177.26 179.01 1vj6 n THR 88 N -0.22 0.00 0.00 -0.44 -2.24 -1.25 -4.97 114.28 105.16 1vj6 n THR 88 Ca 0.35 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1vj6 n THR 88 Cb 0.93 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 0.58 0.13 3.38 0.00 -1.26 -5.04 105.19 107.98 1vj6 n GLY 89 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.58 -2.59 1.61 7.27 -1.26 -4.89 117.38 118.11 1vj6 n GLN 90 Ca 0.00 0.29 -0.43 0.00 0.07 0.00 0.00 57.00 56.94 1vj6 n GLN 90 Cb 0.00 -1.52 -0.02 0.00 2.41 0.00 0.00 30.24 31.11 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 -2.51 4.56 -0.28 1.69 1.01 -1.26 -3.12 120.40 120.49 1vj6 s VAL 91 Ca -0.37 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1vj6 s VAL 91 Cb 0.13 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.36 1vj6 s VAL 91 CO 0.50 -0.05 -0.02 -0.69 0.00 0.00 0.00 175.10 174.83 1vj6 s VAL 92 N 2.48 2.99 -0.31 2.92 1.01 0.24 -4.92 120.40 124.82 1vj6 s VAL 92 Ca 0.50 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1vj6 s VAL 92 Cb -0.20 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1vj6 s VAL 92 CO 0.16 0.03 1.15 -1.00 0.00 0.00 0.00 175.10 175.45 1vj6 s HIS 93 N 1.30 2.99 -0.41 5.22 3.76 -1.26 -0.25 115.29 126.63 1vj6 s HIS 93 Ca -0.03 1.08 -0.16 0.00 -0.15 0.00 0.00 55.06 55.81 1vj6 s HIS 93 Cb -0.18 -3.76 0.02 0.00 1.11 0.00 0.00 32.58 29.77 1vj6 s HIS 93 CO -0.02 -1.11 0.35 -0.51 -0.85 0.00 0.00 174.74 172.60 1vj6 s LEU 94 N 3.87 5.01 -0.67 0.89 1.43 0.36 -0.84 118.68 128.73 1vj6 s LEU 94 Ca 0.49 -0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 1vj6 s LEU 94 Cb -0.14 -2.25 0.07 0.00 0.03 0.00 0.00 46.19 43.90 1vj6 s LEU 94 CO 0.18 -0.50 0.98 -0.22 0.23 0.00 0.00 176.35 177.02 1vj6 s LEU 95 N 1.86 4.33 -0.03 1.79 0.20 0.55 -1.23 118.68 126.14 1vj6 s LEU 95 Ca 0.08 -0.98 0.00 0.00 0.69 0.00 0.00 54.13 53.92 1vj6 s LEU 95 Cb -0.18 -2.42 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 1vj6 s LEU 95 CO 0.11 -1.46 0.00 -0.76 -0.29 0.00 0.00 176.35 173.96 1vj6 s LEU 96 N 4.13 3.53 0.14 -0.68 1.43 -0.61 -0.89 118.68 125.74 1vj6 s LEU 96 Ca 0.23 0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1vj6 s LEU 96 Cb -0.16 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1vj6 s LEU 96 CO 0.10 0.32 -0.24 -0.70 0.23 0.00 0.00 176.35 176.06 1vj6 s GLU 97 N -1.30 1.35 -0.07 1.70 2.12 0.48 -1.00 118.70 121.97 1vj6 s GLU 97 Ca 0.17 -1.35 -0.37 0.00 0.36 0.00 0.00 54.97 53.78 1vj6 s GLU 97 Cb -0.11 -1.70 -0.14 0.00 0.26 0.00 0.00 34.13 32.43 1vj6 s GLU 97 CO 0.07 0.39 1.67 0.36 -0.54 0.00 0.00 175.26 177.21 1vj6 n LYS 98 N 0.73 1.63 -1.92 4.30 0.00 -0.94 -2.40 118.16 119.56 1vj6 n LYS 98 Ca -0.16 0.59 -0.37 0.00 -0.00 0.00 0.00 58.31 58.37 1vj6 n LYS 98 Cb 0.54 -2.33 -0.01 0.00 -0.00 0.00 0.00 35.03 33.23 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vj6 n GLY 99 N 3.78 5.09 3.30 2.58 0.00 -1.26 -4.62 105.19 114.06 1vj6 n GLY 99 Ca 0.22 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 1vj6 n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vj6 s GLN 100 N -1.56 0.79 0.46 1.61 0.74 -1.26 -4.72 119.66 115.71 1vj6 s GLN 100 Ca 0.54 -0.18 -0.12 0.00 0.05 0.00 0.00 55.36 55.66 1vj6 s GLN 100 Cb 0.24 0.35 -0.06 0.00 1.10 0.00 0.00 33.01 34.63 1vj6 s GLN 100 CO -0.13 -0.24 0.85 0.14 -0.55 0.00 0.00 175.29 175.36 1vj6 s VAL 101 N -1.61 4.71 -2.00 1.34 -7.23 -1.26 -4.87 120.40 109.49 1vj6 s VAL 101 Ca -0.11 0.79 0.09 0.00 -1.81 0.00 0.00 61.98 60.94 1vj6 s VAL 101 Cb -0.03 -3.75 0.26 0.00 0.56 0.00 0.00 36.38 33.42 1vj6 s VAL 101 CO 0.03 -0.64 1.00 -2.65 -0.31 0.00 0.00 175.10 172.53