#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 1.30 0.54 0.03 1.02 -1.26 -5.07 119.74 116.30 1vj6 s LYS 9 Ca 0.00 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.50 1vj6 s LYS 9 Cb 0.00 -1.60 -0.07 0.00 -0.52 0.00 0.00 37.83 35.64 1vj6 s LYS 9 CO 0.00 0.36 1.00 -1.25 -0.92 0.00 0.00 175.35 174.55 1vj6 s PRO 10 N -2.25 3.78 -1.23 -1.68 0.04 -1.26 -4.08 135.00 128.32 1vj6 s PRO 10 Ca 0.13 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 1vj6 s PRO 10 Cb -0.09 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1vj6 s PRO 10 CO 0.06 -0.41 0.77 0.41 0.04 0.00 0.00 177.00 177.87 1vj6 n GLY 11 N -1.48 -0.53 3.06 0.56 0.00 -1.26 -4.99 105.19 100.54 1vj6 n GLY 11 Ca 0.07 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.08 4.94 -0.13 1.61 2.15 -1.26 -5.07 116.67 114.83 1vj6 s ASP 12 Ca 0.14 -2.23 -0.15 0.00 0.43 0.00 0.00 52.55 50.74 1vj6 s ASP 12 Cb -0.04 -1.72 -0.05 0.00 -0.30 0.00 0.00 42.92 40.82 1vj6 s ASP 12 CO 0.80 -0.43 0.35 0.42 -0.17 0.00 0.00 175.17 176.14 1vj6 s THR 13 N 0.82 5.25 -0.15 1.71 -4.23 -1.26 -2.30 115.64 115.49 1vj6 s THR 13 Ca 0.11 0.68 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1vj6 s THR 13 Cb -0.21 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1vj6 s THR 13 CO -0.06 0.40 -0.16 0.72 -0.54 0.00 0.00 174.62 174.99 1vj6 s PHE 14 N 0.29 2.26 -1.13 3.99 -0.71 0.25 -4.98 117.98 117.95 1vj6 s PHE 14 Ca 0.20 -1.24 -0.09 0.00 -1.04 0.00 0.00 56.93 54.76 1vj6 s PHE 14 Cb -0.14 -1.63 0.27 0.00 -1.21 0.00 0.00 43.02 40.31 1vj6 s PHE 14 CO 0.07 -0.65 1.18 0.39 -1.34 0.00 0.00 175.22 174.87 1vj6 n GLU 15 N 4.59 3.58 -2.63 1.99 1.02 -1.26 -1.12 120.64 126.81 1vj6 n GLU 15 Ca -0.18 -4.39 -0.43 0.00 -0.02 0.00 0.00 57.16 52.14 1vj6 n GLU 15 Cb 0.50 -2.61 -0.02 0.00 -0.02 0.00 0.00 31.44 29.29 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 -1.04 4.46 -0.30 2.62 1.01 -0.16 -4.83 120.40 122.17 1vj6 s VAL 16 Ca 0.32 1.66 -0.09 0.00 0.00 0.00 0.00 61.98 63.88 1vj6 s VAL 16 Cb -0.08 -4.44 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 1vj6 s VAL 16 CO -0.06 -0.55 0.12 -1.83 0.00 0.00 0.00 175.10 172.78 1vj6 s GLU 17 N 3.77 3.25 0.28 2.72 -1.05 -1.26 0.50 118.70 126.92 1vj6 s GLU 17 Ca 0.46 -0.76 0.11 0.00 -0.15 0.00 0.00 54.97 54.62 1vj6 s GLU 17 Cb -0.12 -3.49 -0.05 0.00 -0.44 0.00 0.00 34.13 30.04 1vj6 s GLU 17 CO 0.18 -0.42 -0.11 -0.51 0.95 0.00 0.00 175.26 175.35 1vj6 s LEU 18 N 1.57 2.84 -0.31 1.83 1.43 0.06 -4.95 118.68 121.14 1vj6 s LEU 18 Ca 0.04 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1vj6 s LEU 18 Cb -0.17 -1.33 0.08 0.00 0.03 0.00 0.00 46.19 44.80 1vj6 s LEU 18 CO 0.05 -0.01 -0.01 0.00 0.23 0.00 0.00 176.35 176.61 1vj6 s ALA 19 N -2.45 2.77 0.47 4.21 0.00 -1.26 -0.60 121.76 124.90 1vj6 s ALA 19 Ca 0.31 -2.13 -0.23 0.00 0.00 0.00 0.00 51.96 49.91 1vj6 s ALA 19 Cb -0.05 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.17 1vj6 s ALA 19 CO 0.17 -1.45 1.23 -1.59 0.00 0.00 0.00 175.76 174.13 1vj6 s LYS 20 N 1.04 3.62 -0.40 0.00 0.00 -1.10 -4.97 119.74 117.93 1vj6 s LYS 20 Ca 0.01 1.94 -0.15 0.00 0.00 0.00 0.00 55.97 57.77 1vj6 s LYS 20 Cb -0.20 -2.41 0.02 0.00 0.00 0.00 0.00 37.83 35.23 1vj6 s LYS 20 CO -0.06 -0.71 0.31 -0.08 0.00 0.00 0.00 175.35 174.82 1vj6 s THR 21 N -1.44 5.24 -2.00 3.79 -1.32 0.18 -4.42 115.64 115.65 1vj6 s THR 21 Ca 0.65 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1vj6 s THR 21 Cb -0.33 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 66.74 1vj6 s THR 21 CO 0.40 -0.29 0.00 -0.67 -2.21 0.00 0.00 174.62 171.85 1vj6 n ASP 22 N 5.22 -5.03 -0.90 8.08 2.03 -1.26 -2.23 116.55 122.46 1vj6 n ASP 22 Ca -0.11 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1vj6 n ASP 22 Cb 0.47 -4.47 0.00 0.00 -0.72 0.00 0.00 41.12 36.40 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 -0.38 0.81 3.19 0.27 0.00 -1.26 -5.10 105.19 102.72 1vj6 n GLY 23 Ca -0.19 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.44 1vj6 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vj6 s SER 24 N -2.57 -0.40 0.08 1.61 1.04 -0.95 -4.99 113.70 107.52 1vj6 s SER 24 Ca 0.00 0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 1vj6 s SER 24 Cb 0.00 1.37 -0.20 0.00 0.10 0.00 0.00 66.02 67.29 1vj6 s SER 24 CO 0.00 -0.08 1.23 -0.07 0.98 0.00 0.00 173.24 175.31 1vj6 h LEU 25 N 7.81 0.92 0.00 2.42 3.38 -1.92 0.53 115.31 128.46 1vj6 h LEU 25 Ca -0.14 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.14 1vj6 h LEU 25 Cb 1.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1vj6 h LEU 25 CO -0.06 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.56 1vj6 n GLY 26 N 0.93 0.99 2.94 0.83 0.00 -1.26 -0.26 105.19 109.35 1vj6 n GLY 26 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 0.82 -0.16 -0.61 -4.36 -1.26 -1.92 121.20 111.81 1vj6 s ILE 27 Ca 0.00 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 1vj6 s ILE 27 Cb 0.00 -0.80 -0.00 0.00 1.25 0.00 0.00 42.46 42.90 1vj6 s ILE 27 CO 0.00 0.29 1.00 -0.44 0.24 0.00 0.00 174.94 176.04 1vj6 s SER 28 N 0.99 7.17 0.32 4.36 0.01 -0.24 -4.99 113.70 121.31 1vj6 s SER 28 Ca -0.09 1.44 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 1vj6 s SER 28 Cb -0.15 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 1vj6 s SER 28 CO 0.00 -0.52 0.88 0.68 0.41 0.00 0.00 173.24 174.69 1vj6 s VAL 29 N 2.46 4.36 0.21 3.43 -7.23 -1.26 -0.11 120.40 122.26 1vj6 s VAL 29 Ca 0.46 1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 62.20 1vj6 s VAL 29 Cb -0.17 -3.88 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 1vj6 s VAL 29 CO 0.13 0.05 0.17 0.28 -0.31 0.00 0.00 175.10 175.42 1vj6 s THR 30 N -1.72 0.00 0.00 5.32 -1.32 -0.01 -4.72 115.64 113.19 1vj6 s THR 30 Ca 0.51 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 1vj6 s THR 30 Cb -0.16 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 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 -0.31 0.60 0.00 6.08 0.00 -1.26 -0.93 105.19 109.37 1vj6 n GLY 31 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.82 0.14 -0.02 0.00 -1.16 -4.50 105.19 100.47 1vj6 n GLY 32 Ca 0.00 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.33 1vj6 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vj6 n VAL 33 N 0.87 1.06 -0.06 1.61 0.24 -0.23 -3.09 118.33 118.75 1vj6 n VAL 33 Ca 0.00 0.61 -0.11 0.00 -2.04 0.00 0.00 64.34 62.80 1vj6 n VAL 33 Cb 0.00 -1.60 -0.05 0.00 -1.47 0.00 0.00 33.84 30.73 1vj6 n VAL 33 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1vj6 h ASN 34 N 0.00 0.28 -1.84 -1.34 -1.24 -1.82 -3.45 115.58 106.16 1vj6 h ASN 34 Ca 0.00 -0.19 0.10 0.00 0.71 0.00 0.00 56.30 56.92 1vj6 h ASN 34 Cb 0.08 -0.07 -0.21 0.00 0.73 0.00 0.00 38.32 38.85 1vj6 h ASN 34 CO 0.00 0.39 -0.07 -0.89 -1.29 0.00 0.00 177.43 175.57 1vj6 s THR 35 N -5.46 -0.90 -0.28 -3.57 2.01 -1.18 -5.08 115.64 101.19 1vj6 s THR 35 Ca -0.14 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 1vj6 s THR 35 Cb 0.07 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.59 1vj6 s THR 35 CO 0.71 0.00 0.34 -0.24 -0.69 0.00 0.00 174.62 174.74 1vj6 n SER 36 N 5.35 -5.24 -0.60 3.53 2.88 -1.26 -4.59 113.62 113.70 1vj6 n SER 36 Ca -0.12 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1vj6 n SER 36 Cb 0.50 -3.39 0.00 0.00 -0.75 0.00 0.00 64.21 60.56 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 -0.67 0.00 0.03 2.46 0.24 -1.26 -4.72 118.33 114.40 1vj6 n VAL 37 Ca 0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.32 1vj6 n VAL 37 Cb 0.32 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.68 1vj6 n VAL 37 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1vj6 h ARG 38 N 0.00 -0.15 0.00 7.34 9.65 -1.97 -3.48 114.38 125.78 1vj6 h ARG 38 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1vj6 h ARG 38 Cb 0.00 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1vj6 h ARG 38 CO 0.00 -0.10 0.00 0.72 2.80 0.00 0.00 179.97 183.39 1vj6 n HIS 39 N -3.98 0.00 0.00 2.20 8.25 -1.26 -5.11 115.22 115.33 1vj6 n HIS 39 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1vj6 n HIS 39 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.49 3.88 -1.41 0.00 -1.26 -4.80 105.19 101.11 1vj6 n GLY 40 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 1vj6 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vj6 s GLY 41 N 0.00 0.10 0.25 -0.02 0.00 -1.25 -4.57 107.32 101.83 1vj6 s GLY 41 Ca 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 44.72 44.52 1vj6 s GLY 41 CO 0.00 2.46 -0.18 -1.50 0.00 0.00 0.00 173.10 173.88 1vj6 s ILE 42 N -2.20 2.62 0.10 0.90 1.10 -0.88 -2.98 121.20 119.87 1vj6 s ILE 42 Ca 0.22 -2.20 0.02 0.00 -0.51 0.00 0.00 60.65 58.19 1vj6 s ILE 42 Cb -0.02 -2.34 -0.04 0.00 0.15 0.00 0.00 42.46 40.20 1vj6 s ILE 42 CO 0.05 -0.30 -0.08 -0.31 -2.11 0.00 0.00 174.94 172.19 1vj6 s TYR 43 N -2.21 0.93 0.09 3.50 1.51 -0.10 -0.78 117.35 120.29 1vj6 s TYR 43 Ca 0.27 -0.81 -0.22 0.00 -1.01 0.00 0.00 57.07 55.30 1vj6 s TYR 43 Cb -0.06 -0.53 -0.07 0.00 -0.11 0.00 0.00 41.96 41.19 1vj6 s TYR 43 CO 0.14 -0.09 0.67 0.08 -1.11 0.00 0.00 175.55 175.24 1vj6 s VAL 44 N -3.13 4.63 0.00 0.71 1.01 -0.49 -0.83 120.40 122.30 1vj6 s VAL 44 Ca 0.09 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1vj6 s VAL 44 Cb 0.02 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1vj6 s VAL 44 CO -0.03 0.50 0.00 1.17 0.00 0.00 0.00 175.10 176.74 1vj6 n LYS 45 N 1.95 0.00 -4.02 2.72 0.00 0.84 -3.24 118.16 116.42 1vj6 n LYS 45 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.89 1vj6 n LYS 45 Cb 0.50 -0.28 -0.12 0.00 0.00 0.00 0.00 35.03 35.13 1vj6 n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vj6 s ALA 46 N -3.67 3.12 -0.04 3.14 0.00 -1.21 -4.46 121.76 118.64 1vj6 s ALA 46 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 1vj6 s ALA 46 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1vj6 s ALA 46 CO 0.00 -0.15 0.54 0.42 0.00 0.00 0.00 175.76 176.57 1vj6 s ILE 47 N 0.99 5.01 0.16 0.00 -1.09 -1.26 -1.08 121.20 123.93 1vj6 s ILE 47 Ca 0.02 1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 1vj6 s ILE 47 Cb -0.14 -3.87 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 1vj6 s ILE 47 CO 0.02 0.40 0.96 -0.63 -1.23 0.00 0.00 174.94 174.46 1vj6 s ILE 48 N -0.02 4.34 -0.29 2.92 1.01 -0.81 -4.99 121.20 123.36 1vj6 s ILE 48 Ca 0.29 2.07 -0.27 0.00 0.00 0.00 0.00 60.65 62.73 1vj6 s ILE 48 Cb -0.17 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.93 1vj6 s ILE 48 CO 0.15 0.38 2.28 -0.81 0.00 0.00 0.00 174.94 176.93 1vj6 n PRO 49 N 2.34 1.72 -2.99 2.79 -0.04 -1.26 -3.83 135.00 133.72 1vj6 n PRO 49 Ca 0.01 0.39 -0.17 0.00 -0.04 0.00 0.00 63.50 63.69 1vj6 n PRO 49 Cb 0.48 -3.30 0.01 0.00 -0.04 0.00 0.00 33.50 30.65 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 8.84 -0.96 0.00 0.54 5.02 -1.26 -4.99 118.16 125.34 1vj6 n LYS 50 Ca 0.32 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1vj6 n LYS 50 Cb 0.48 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.82 0.99 1.03 0.72 0.00 -1.25 -4.93 105.19 100.93 1vj6 n GLY 51 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.00 2.53 -0.07 4.61 0.00 -0.17 -4.94 120.51 121.47 1vj6 n ALA 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1vj6 n ALA 52 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 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 0.27 -0.76 0.00 0.00 -0.93 -3.00 119.26 114.83 1vj6 h ALA 53 Ca 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.70 1vj6 h ALA 53 Cb 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1vj6 h ALA 53 CO 0.00 0.13 0.50 1.49 0.00 0.00 0.00 179.25 181.38 1vj6 h GLU 54 N 0.09 0.65 0.00 0.00 4.81 -1.81 -1.91 114.58 116.41 1vj6 h GLU 54 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vj6 h GLU 54 Cb 0.64 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1vj6 h GLU 54 CO 0.04 0.43 0.00 0.45 -0.73 0.00 0.00 179.01 179.20 1vj6 n SER 55 N -4.50 0.00 0.00 1.04 2.88 -1.14 -3.47 113.62 108.43 1vj6 n SER 55 Ca 0.13 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1vj6 n SER 55 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.85 0.00 0.00 -3.46 2.03 -0.72 -5.04 116.55 108.51 1vj6 n ASP 56 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1vj6 n ASP 56 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1vj6 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vj6 n GLY 57 N 0.25 0.86 0.10 0.27 0.00 -1.23 -5.00 105.19 100.45 1vj6 n GLY 57 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.56 1.61 3.08 -1.92 -3.46 114.38 107.13 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 0.03 0.00 0.08 0.00 0.00 29.97 30.08 1vj6 h ARG 58 CO 0.00 0.51 0.86 0.42 -1.07 0.00 0.00 179.97 180.69 1vj6 s ILE 59 N -2.86 2.88 0.38 2.04 1.01 -1.26 -5.03 121.20 118.36 1vj6 s ILE 59 Ca -0.00 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.28 1vj6 s ILE 59 Cb 0.08 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1vj6 s ILE 59 CO 0.79 0.04 0.16 -1.00 0.00 0.00 0.00 174.94 174.93 1vj6 s HIS 60 N 1.40 1.75 -1.09 3.97 3.76 -1.26 -4.86 115.29 118.97 1vj6 s HIS 60 Ca 0.69 -1.38 -0.22 0.00 -0.15 0.00 0.00 55.06 54.01 1vj6 s HIS 60 Cb -0.41 -1.02 -0.09 0.00 1.11 0.00 0.00 32.58 32.17 1vj6 s HIS 60 CO 0.31 -0.45 1.92 1.63 -0.85 0.00 0.00 174.74 177.30 1vj6 n LYS 61 N -0.80 1.73 0.00 1.40 5.02 -1.26 -3.40 118.16 120.85 1vj6 n LYS 61 Ca -0.02 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 1vj6 n LYS 61 Cb 0.64 -3.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.18 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 5.37 -0.04 3.91 0.72 0.00 -1.20 -4.93 105.19 109.03 1vj6 n GLY 62 Ca 0.47 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 5.54 -0.23 1.61 1.01 -1.22 -4.45 116.67 118.93 1vj6 s ASP 63 Ca 0.00 0.74 -0.06 0.00 0.71 0.00 0.00 52.55 53.95 1vj6 s ASP 63 Cb 0.00 -1.70 -0.02 0.00 1.01 0.00 0.00 42.92 42.21 1vj6 s ASP 63 CO 0.00 -1.12 0.02 -0.60 0.21 0.00 0.00 175.17 173.68 1vj6 s ARG 64 N -5.04 3.54 -0.24 8.23 3.00 -0.70 -1.39 118.95 126.34 1vj6 s ARG 64 Ca 0.55 -0.54 -0.15 0.00 -1.00 0.00 0.00 55.73 54.59 1vj6 s ARG 64 Cb -0.11 -3.17 -0.04 0.00 0.00 0.00 0.00 34.95 31.64 1vj6 s ARG 64 CO 0.46 -0.16 0.35 0.54 0.00 0.00 0.00 175.30 176.49 1vj6 s VAL 65 N 1.47 5.21 -0.16 7.11 0.11 0.04 0.37 120.40 134.55 1vj6 s VAL 65 Ca 0.05 0.56 0.04 0.00 -2.93 0.00 0.00 61.98 59.71 1vj6 s VAL 65 Cb -0.15 -3.68 -0.23 0.00 -1.53 0.00 0.00 36.38 30.80 1vj6 s VAL 65 CO 0.01 0.22 0.18 0.00 -3.33 0.00 0.00 175.10 172.18 1vj6 n LEU 66 N 4.87 1.96 -3.88 2.54 -0.00 0.12 -2.07 117.00 120.54 1vj6 n LEU 66 Ca -0.09 0.10 -0.10 0.00 -0.00 0.00 0.00 56.01 55.92 1vj6 n LEU 66 Cb 0.51 -0.54 -0.09 0.00 -0.00 0.00 0.00 43.42 43.31 1vj6 n LEU 66 CO 0.38 0.73 -0.14 0.00 -0.00 0.00 0.00 177.39 178.36 1vj6 s ALA 67 N -2.54 -0.21 -0.12 1.47 0.00 -1.07 -1.38 121.76 117.90 1vj6 s ALA 67 Ca -0.21 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1vj6 s ALA 67 Cb 0.07 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.53 1vj6 s ALA 67 CO 0.74 -0.37 -0.04 0.08 0.00 0.00 0.00 175.76 176.16 1vj6 s VAL 68 N -2.83 0.83 -1.63 0.00 1.01 0.74 -0.38 120.40 118.14 1vj6 s VAL 68 Ca -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1vj6 s VAL 68 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1vj6 s VAL 68 CO -0.05 0.26 0.09 -3.20 0.00 0.00 0.00 175.10 172.19 1vj6 n ASN 69 N 4.99 -5.59 -0.53 3.32 2.85 0.96 -1.09 115.26 120.18 1vj6 n ASN 69 Ca -0.11 -0.03 -0.07 0.00 -0.11 0.00 0.00 54.58 54.27 1vj6 n ASN 69 Cb 0.49 -4.64 -0.03 0.00 1.24 0.00 0.00 39.78 36.85 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vj6 n GLY 70 N -1.05 0.86 3.14 8.20 0.00 -1.26 -4.96 105.19 110.12 1vj6 n GLY 70 Ca -0.21 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.25 3.08 0.47 1.61 1.01 -0.25 -5.09 120.40 118.98 1vj6 s VAL 71 Ca 0.00 -1.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.00 1vj6 s VAL 71 Cb 0.00 -2.95 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 1vj6 s VAL 71 CO 0.00 -0.40 1.31 -0.94 0.00 0.00 0.00 175.10 175.07 1vj6 s SER 72 N 1.47 5.87 -0.21 3.32 1.04 -1.26 -0.19 113.70 123.74 1vj6 s SER 72 Ca 0.02 2.65 -0.01 0.00 0.48 0.00 0.00 55.95 59.09 1vj6 s SER 72 Cb -0.21 -2.63 0.13 0.00 0.10 0.00 0.00 66.02 63.41 1vj6 s SER 72 CO -0.03 -1.15 2.04 0.18 0.98 0.00 0.00 173.24 175.26 1vj6 n LEU 73 N -0.44 6.08 -4.65 2.42 4.77 -0.48 -4.91 117.00 119.79 1vj6 n LEU 73 Ca 0.07 -3.01 -0.43 0.00 -0.03 0.00 0.00 56.01 52.61 1vj6 n LEU 73 Cb 0.45 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1vj6 n LEU 73 CO 0.53 1.17 1.17 -0.70 -1.33 0.00 0.00 177.39 178.22 1vj6 s GLU 74 N -1.18 4.12 0.00 3.23 2.12 -1.26 -2.26 118.70 123.47 1vj6 s GLU 74 Ca 0.21 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.20 1vj6 s GLU 74 Cb 0.16 -3.85 0.00 0.00 0.26 0.00 0.00 34.13 30.70 1vj6 s GLU 74 CO -0.01 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 1vj6 n GLY 75 N 3.94 0.99 3.80 -1.50 0.00 -1.26 -5.02 105.19 106.13 1vj6 n GLY 75 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.79 3.49 0.23 4.61 0.00 -0.96 -4.82 121.76 120.52 1vj6 s ALA 76 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1vj6 s ALA 76 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1vj6 s ALA 76 CO 0.00 0.34 0.05 -2.37 0.00 0.00 0.00 175.76 173.78 1vj6 n THR 77 N 1.48 0.00 -0.23 0.00 5.66 -1.26 -1.06 114.28 118.86 1vj6 n THR 77 Ca -0.07 -1.01 -0.01 0.00 -3.05 0.00 0.00 64.05 59.91 1vj6 n THR 77 Cb 0.50 0.06 0.06 0.00 -1.55 0.00 0.00 70.33 69.40 1vj6 n THR 77 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1vj6 h HIS 78 N 0.95 -0.49 -0.21 1.09 2.76 -1.93 0.25 115.15 117.57 1vj6 h HIS 78 Ca -0.17 0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 57.97 1vj6 h HIS 78 Cb 0.55 0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1vj6 h HIS 78 CO 0.00 -0.32 -0.24 0.87 -1.30 0.00 0.00 177.93 176.94 1vj6 h LYS 79 N -0.04 0.53 -0.30 5.26 6.56 -1.98 -1.99 116.57 124.62 1vj6 h LYS 79 Ca 0.31 -0.29 -0.15 0.00 -1.06 0.00 0.00 60.65 59.46 1vj6 h LYS 79 Cb 0.52 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 1vj6 h LYS 79 CO -0.71 0.88 -0.42 1.96 -2.06 0.00 0.00 179.45 179.10 1vj6 h GLN 80 N 0.21 0.73 -0.73 3.15 4.20 -1.87 -2.54 115.11 118.27 1vj6 h GLN 80 Ca 0.03 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 1vj6 h GLN 80 Cb 0.79 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1vj6 h GLN 80 CO 0.06 1.01 0.45 0.00 -0.67 0.00 0.00 178.83 179.68 1vj6 h ALA 81 N 0.93 0.93 0.16 3.87 0.00 -0.50 -0.79 119.26 123.87 1vj6 h ALA 81 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vj6 h ALA 81 Cb 0.97 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1vj6 h ALA 81 CO 0.09 0.39 -0.21 0.28 0.00 0.00 0.00 179.25 179.81 1vj6 h VAL 82 N 1.00 0.54 -0.28 0.00 2.07 -1.27 -2.12 116.25 116.19 1vj6 h VAL 82 Ca 0.26 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.83 1vj6 h VAL 82 Cb -0.05 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1vj6 h VAL 82 CO -0.05 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.40 1vj6 h GLU 83 N -0.42 0.17 0.00 1.57 5.08 -1.24 0.40 114.58 120.13 1vj6 h GLU 83 Ca 0.01 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1vj6 h GLU 83 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1vj6 h GLU 83 CO -0.08 0.11 -0.36 1.15 -1.00 0.00 0.00 179.01 178.83 1vj6 h THR 84 N 0.18 0.88 0.04 1.13 2.02 -0.71 -0.68 112.91 115.76 1vj6 h THR 84 Ca 0.12 -1.45 -0.29 0.00 0.77 0.00 0.00 66.41 65.56 1vj6 h THR 84 Cb 0.27 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1vj6 h THR 84 CO -0.02 0.35 -1.57 0.18 0.37 0.00 0.00 175.52 174.83 1vj6 n LEU 85 N -3.56 2.13 0.04 2.58 4.77 -0.76 -4.74 117.00 117.45 1vj6 n LEU 85 Ca -0.00 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1vj6 n LEU 85 Cb 0.49 -1.01 -0.14 0.00 -2.33 0.00 0.00 43.42 40.43 1vj6 n LEU 85 CO 0.36 0.48 -0.28 -0.09 -1.33 0.00 0.00 177.39 176.54 1vj6 h ARG 86 N -0.64 0.12 -1.52 3.23 1.12 -0.24 -3.32 114.38 113.13 1vj6 h ARG 86 Ca -0.39 -0.21 -0.41 0.00 -1.11 0.00 0.00 59.98 57.86 1vj6 h ARG 86 Cb 1.56 0.08 -0.17 0.00 -0.01 0.00 0.00 29.97 31.43 1vj6 h ARG 86 CO -0.12 0.92 0.49 0.09 -3.11 0.00 0.00 179.97 178.24 1vj6 n ASN 87 N -3.32 6.68 -4.90 -3.80 3.02 -0.27 -4.87 115.26 107.80 1vj6 n ASN 87 Ca -0.13 -3.21 -0.21 0.00 -0.03 0.00 0.00 54.58 51.00 1vj6 n ASN 87 Cb 1.02 -1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vj6 s THR 88 N -2.70 4.69 0.00 3.41 -4.23 -1.25 -4.98 115.64 110.58 1vj6 s THR 88 Ca 0.41 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1vj6 s THR 88 Cb 0.31 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1vj6 s THR 88 CO -0.04 -0.31 0.71 0.61 -0.54 0.00 0.00 174.62 175.05 1vj6 n GLY 89 N -1.33 -1.92 2.05 3.99 0.00 -1.26 -4.95 105.19 101.76 1vj6 n GLY 89 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.95 0.00 -2.32 1.61 7.27 -1.26 -5.05 117.38 115.68 1vj6 n GLN 90 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1vj6 n GLN 90 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 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 -2.00 3.72 -0.23 1.69 1.01 -1.26 -2.71 120.40 120.61 1vj6 s VAL 91 Ca 0.00 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1vj6 s VAL 91 Cb 0.00 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.64 1vj6 s VAL 91 CO 0.00 0.11 -0.05 -0.69 0.00 0.00 0.00 175.10 174.47 1vj6 s VAL 92 N 0.96 1.47 -0.48 2.92 1.01 0.23 -4.94 120.40 121.57 1vj6 s VAL 92 Ca 0.60 -1.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 1vj6 s VAL 92 Cb -0.32 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1vj6 s VAL 92 CO 0.30 -0.12 1.02 -1.00 0.00 0.00 0.00 175.10 175.30 1vj6 s HIS 93 N 1.42 2.86 -0.44 5.22 3.76 -1.26 -0.76 115.29 126.09 1vj6 s HIS 93 Ca -0.05 0.50 -0.22 0.00 -0.15 0.00 0.00 55.06 55.13 1vj6 s HIS 93 Cb -0.19 -4.18 0.02 0.00 1.11 0.00 0.00 32.58 29.35 1vj6 s HIS 93 CO -0.06 -1.19 0.74 -0.51 -0.85 0.00 0.00 174.74 172.86 1vj6 s LEU 94 N 4.08 4.33 -0.83 0.89 1.43 0.18 -0.03 118.68 128.73 1vj6 s LEU 94 Ca 0.41 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1vj6 s LEU 94 Cb -0.09 -2.89 0.11 0.00 0.03 0.00 0.00 46.19 43.35 1vj6 s LEU 94 CO 0.28 -0.87 1.06 -0.22 0.23 0.00 0.00 176.35 176.84 1vj6 s LEU 95 N 3.13 4.84 -0.03 1.79 0.20 0.49 -0.98 118.68 128.12 1vj6 s LEU 95 Ca 0.27 -1.69 -0.05 0.00 0.69 0.00 0.00 54.13 53.35 1vj6 s LEU 95 Cb -0.13 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.19 1vj6 s LEU 95 CO 0.21 -1.19 0.21 -0.76 -0.29 0.00 0.00 176.35 174.53 1vj6 s LEU 96 N 3.15 4.38 0.00 -0.68 1.43 -0.28 -0.70 118.68 125.98 1vj6 s LEU 96 Ca 0.29 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1vj6 s LEU 96 Cb -0.09 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1vj6 s LEU 96 CO -0.03 0.29 -0.08 -0.70 0.23 0.00 0.00 176.35 176.06 1vj6 s GLU 97 N -1.66 2.51 0.15 1.70 2.12 0.16 -0.58 118.70 123.10 1vj6 s GLU 97 Ca 0.25 -0.74 -0.34 0.00 0.36 0.00 0.00 54.97 54.49 1vj6 s GLU 97 Cb -0.13 -2.47 -0.14 0.00 0.26 0.00 0.00 34.13 31.65 1vj6 s GLU 97 CO 0.14 0.60 1.51 0.36 -0.54 0.00 0.00 175.26 177.33 1vj6 n LYS 98 N 1.60 1.91 -1.02 4.30 -0.00 -0.97 -1.73 118.16 122.25 1vj6 n LYS 98 Ca -0.16 0.69 -0.17 0.00 -0.00 0.00 0.00 58.31 58.67 1vj6 n LYS 98 Cb 0.52 -2.42 -0.01 0.00 -0.00 0.00 0.00 35.03 33.12 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 3.11 3.86 3.39 2.58 0.00 -1.26 -4.72 105.19 112.14 1vj6 n GLY 99 Ca 0.17 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.27 2.02 -0.09 1.61 2.00 -1.26 -4.91 119.66 117.76 1vj6 s GLN 100 Ca 0.39 -0.99 -0.27 0.00 -2.00 0.00 0.00 55.36 52.49 1vj6 s GLN 100 Cb 0.26 -2.10 -0.02 0.00 0.80 0.00 0.00 33.01 31.95 1vj6 s GLN 100 CO -0.06 0.54 0.88 0.08 -0.50 0.00 0.00 175.29 176.23 1vj6 s VAL 101 N -0.80 4.89 -2.00 1.34 1.01 -1.26 -4.90 120.40 118.68 1vj6 s VAL 101 Ca 0.12 1.78 0.18 0.00 0.00 0.00 0.00 61.98 64.06 1vj6 s VAL 101 Cb -0.10 -4.20 0.51 0.00 0.00 0.00 0.00 36.38 32.60 1vj6 s VAL 101 CO 0.02 0.10 1.48 -2.65 0.00 0.00 0.00 175.10 174.05