#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 1.05 0.04 0.03 1.02 -1.26 -5.12 119.74 115.49 1vj6 s LYS 9 Ca 0.00 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.39 1vj6 s LYS 9 Cb 0.00 -0.87 -0.05 0.00 -0.52 0.00 0.00 37.83 36.40 1vj6 s LYS 9 CO 0.00 0.16 1.15 -1.25 -0.92 0.00 0.00 175.35 174.48 1vj6 s PRO 10 N -2.91 4.46 -0.98 -1.68 0.04 -1.26 -4.27 135.00 128.40 1vj6 s PRO 10 Ca 0.11 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 1vj6 s PRO 10 Cb -0.03 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1vj6 s PRO 10 CO 0.03 -0.22 0.86 0.41 0.04 0.00 0.00 177.00 178.11 1vj6 n GLY 11 N 3.15 -0.13 3.65 0.56 0.00 -1.13 -4.97 105.19 106.32 1vj6 n GLY 11 Ca 0.08 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.26 6.99 -0.03 1.61 2.15 -1.26 -4.70 116.67 118.17 1vj6 s ASP 12 Ca 0.41 1.18 -0.18 0.00 0.43 0.00 0.00 52.55 54.39 1vj6 s ASP 12 Cb -0.18 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 39.86 1vj6 s ASP 12 CO 0.53 -0.73 0.51 0.42 -0.17 0.00 0.00 175.17 175.73 1vj6 s THR 13 N 3.32 4.99 -0.02 1.71 -4.23 -1.26 -1.12 115.64 119.03 1vj6 s THR 13 Ca 0.43 1.06 0.03 0.00 -1.18 0.00 0.00 61.69 62.03 1vj6 s THR 13 Cb -0.14 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 69.86 1vj6 s THR 13 CO 0.10 0.45 -0.11 0.72 -0.54 0.00 0.00 174.62 175.24 1vj6 s PHE 14 N -0.29 1.06 -0.84 3.99 -0.71 -0.62 -5.00 117.98 115.57 1vj6 s PHE 14 Ca 0.27 -0.24 0.01 0.00 -1.04 0.00 0.00 56.93 55.93 1vj6 s PHE 14 Cb -0.17 -0.72 0.23 0.00 -1.21 0.00 0.00 43.02 41.15 1vj6 s PHE 14 CO 0.15 -0.07 0.84 0.39 -1.34 0.00 0.00 175.22 175.19 1vj6 n GLU 15 N 3.06 2.78 -3.13 1.99 1.02 -1.25 -1.39 120.64 123.73 1vj6 n GLU 15 Ca -0.16 -4.54 -0.40 0.00 -0.02 0.00 0.00 57.16 52.04 1vj6 n GLU 15 Cb 0.55 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.53 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 -1.85 5.01 -0.32 2.62 1.01 0.01 -4.80 120.40 122.07 1vj6 s VAL 16 Ca 0.31 1.13 -0.13 0.00 0.00 0.00 0.00 61.98 63.29 1vj6 s VAL 16 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1vj6 s VAL 16 CO -0.07 0.07 0.25 -0.70 0.00 0.00 0.00 175.10 174.65 1vj6 s GLU 17 N 2.19 3.62 0.22 2.72 2.12 -1.26 0.65 118.70 128.97 1vj6 s GLU 17 Ca 0.27 -0.52 -0.04 0.00 0.36 0.00 0.00 54.97 55.04 1vj6 s GLU 17 Cb -0.16 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 1vj6 s GLU 17 CO 0.09 -0.39 0.24 -0.48 -0.54 0.00 0.00 175.26 174.18 1vj6 s LEU 18 N 1.78 0.96 -0.01 2.70 2.34 -0.72 -4.98 118.68 120.74 1vj6 s LEU 18 Ca 0.07 -1.29 0.08 0.00 0.06 0.00 0.00 54.13 53.05 1vj6 s LEU 18 Cb -0.17 0.78 -0.02 0.00 -0.56 0.00 0.00 46.19 46.22 1vj6 s LEU 18 CO 0.11 -0.94 -0.25 0.00 -1.06 0.00 0.00 176.35 174.20 1vj6 s ALA 19 N -4.06 2.23 0.50 1.48 0.00 -1.26 -0.43 121.76 120.23 1vj6 s ALA 19 Ca 0.35 -1.14 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1vj6 s ALA 19 Cb 0.05 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 1vj6 s ALA 19 CO 0.12 0.53 1.29 -1.59 0.00 0.00 0.00 175.76 176.12 1vj6 s LYS 20 N -0.77 3.42 -0.50 0.00 -2.85 -1.18 -4.77 119.74 113.09 1vj6 s LYS 20 Ca 0.11 2.09 -0.14 0.00 -1.00 0.00 0.00 55.97 57.02 1vj6 s LYS 20 Cb -0.10 -2.36 0.11 0.00 -2.06 0.00 0.00 37.83 33.42 1vj6 s LYS 20 CO -0.00 -0.92 0.43 -0.08 0.10 0.00 0.00 175.35 174.88 1vj6 s THR 21 N -1.38 4.96 0.00 3.79 -1.32 0.81 -4.58 115.64 117.93 1vj6 s THR 21 Ca 0.67 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 1vj6 s THR 21 Cb -0.36 -4.13 0.00 0.00 -1.51 0.00 0.00 72.50 66.50 1vj6 s THR 21 CO 0.44 -0.75 0.00 0.47 -2.21 0.00 0.00 174.62 172.56 1vj6 n ASP 22 N 5.15 0.00 0.00 8.08 9.92 -1.26 -3.23 116.55 135.21 1vj6 n ASP 22 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1vj6 n ASP 22 Cb 0.41 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vj6 n GLY 23 N -1.11 0.00 3.61 0.44 0.00 -1.26 -5.14 105.19 101.73 1vj6 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.28 0.03 1.61 1.04 -1.20 -5.01 113.70 109.88 1vj6 s SER 24 Ca 0.00 0.45 -0.16 0.00 0.48 0.00 0.00 55.95 56.72 1vj6 s SER 24 Cb 0.00 1.14 -0.32 0.00 0.10 0.00 0.00 66.02 66.94 1vj6 s SER 24 CO 0.00 -0.07 1.03 -0.07 0.98 0.00 0.00 173.24 175.11 1vj6 h LEU 25 N 5.75 0.83 0.00 2.42 3.38 -1.90 0.23 115.31 126.02 1vj6 h LEU 25 Ca -0.26 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.83 1vj6 h LEU 25 Cb 1.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1vj6 h LEU 25 CO 0.20 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.98 1vj6 n GLY 26 N 1.56 0.98 3.26 0.83 0.00 -1.26 0.10 105.19 110.66 1vj6 n GLY 26 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.40 2.03 -0.31 -0.61 -4.36 -1.26 -1.33 121.20 113.96 1vj6 s ILE 27 Ca 0.00 -1.05 -0.15 0.00 -0.26 0.00 0.00 60.65 59.19 1vj6 s ILE 27 Cb 0.00 -1.72 -0.02 0.00 1.25 0.00 0.00 42.46 41.96 1vj6 s ILE 27 CO 0.00 0.56 0.39 -0.44 0.24 0.00 0.00 174.94 175.69 1vj6 s SER 28 N -0.10 6.22 0.14 4.36 0.01 -0.36 -5.01 113.70 118.97 1vj6 s SER 28 Ca -0.05 0.00 -0.19 0.00 1.31 0.00 0.00 55.95 57.02 1vj6 s SER 28 Cb -0.14 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.80 1vj6 s SER 28 CO 0.04 -0.30 0.64 0.68 0.41 0.00 0.00 173.24 174.72 1vj6 s VAL 29 N 2.09 4.65 0.12 3.43 -7.23 -1.26 -0.57 120.40 121.63 1vj6 s VAL 29 Ca 0.14 1.24 0.03 0.00 -1.81 0.00 0.00 61.98 61.58 1vj6 s VAL 29 Cb -0.16 -3.90 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 1vj6 s VAL 29 CO 0.11 0.40 -0.08 0.28 -0.31 0.00 0.00 175.10 175.50 1vj6 s THR 30 N -1.29 0.90 0.00 5.32 -1.32 -0.37 -4.81 115.64 114.07 1vj6 s THR 30 Ca 0.35 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 1vj6 s THR 30 Cb -0.19 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 1vj6 s THR 30 CO 0.21 -0.79 0.00 0.61 -2.21 0.00 0.00 174.62 172.44 1vj6 n GLY 31 N -0.04 0.48 3.35 6.08 0.00 -1.26 -0.20 105.19 113.60 1vj6 n GLY 31 Ca -0.12 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.99 0.19 -0.02 0.00 -0.98 -3.99 105.19 98.40 1vj6 n GLY 32 Ca 0.00 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.78 1vj6 n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vj6 h VAL 33 N -0.21 0.00 0.00 1.61 2.07 -1.05 -2.09 116.25 116.58 1vj6 h VAL 33 Ca 0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1vj6 h VAL 33 Cb 0.21 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1vj6 h VAL 33 CO 0.00 0.00 -0.09 -1.13 0.02 0.00 0.00 177.57 176.37 1vj6 h ASN 34 N 0.00 0.00 -1.37 0.57 -1.24 -1.81 -3.44 115.58 108.29 1vj6 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1vj6 h ASN 34 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1vj6 h ASN 34 CO 0.00 0.09 0.00 1.07 -1.29 0.00 0.00 177.43 177.30 1vj6 n THR 35 N -4.26 0.00 -3.65 -3.57 5.66 -0.79 -5.06 114.28 102.61 1vj6 n THR 35 Ca -0.03 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.58 1vj6 n THR 35 Cb 0.17 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.84 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1vj6 s SER 36 N 0.28 5.54 0.00 1.09 1.04 -1.26 -4.84 113.70 115.55 1vj6 s SER 36 Ca 0.00 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1vj6 s SER 36 Cb 0.00 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.17 1vj6 s SER 36 CO 0.00 -0.49 0.00 1.33 0.98 0.00 0.00 173.24 175.06 1vj6 n VAL 37 N 4.87 0.00 -0.02 5.02 0.24 -1.26 -5.04 118.33 122.14 1vj6 n VAL 37 Ca -0.10 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.18 1vj6 n VAL 37 Cb 0.43 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.00 0.14 -2.81 7.34 0.63 -1.26 -4.93 116.66 115.77 1vj6 n ARG 38 Ca 0.00 0.28 -0.10 0.00 -0.92 0.00 0.00 57.85 57.10 1vj6 n ARG 38 Cb 0.00 -0.98 0.06 0.00 0.45 0.00 0.00 32.46 31.99 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 -2.99 -2.52 -1.00 -0.14 -0.00 -1.26 -4.98 115.22 102.33 1vj6 n HIS 39 Ca -0.03 -2.30 0.00 0.00 -0.00 0.00 0.00 57.72 55.39 1vj6 n HIS 39 Cb 0.09 1.30 0.00 0.00 -0.00 0.00 0.00 29.99 31.38 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 0.68 0.56 3.91 1.57 0.00 -1.26 -4.77 105.19 105.88 1vj6 n GLY 40 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 1.47 0.30 -0.02 0.00 -1.26 -3.76 107.32 102.04 1vj6 s GLY 41 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.21 1vj6 s GLY 41 CO 0.00 -0.44 0.20 -1.50 0.00 0.00 0.00 173.10 171.36 1vj6 s ILE 42 N -2.66 3.81 0.09 0.90 1.10 -0.87 -2.33 121.20 121.24 1vj6 s ILE 42 Ca 0.46 -1.49 -0.01 0.00 -0.51 0.00 0.00 60.65 59.10 1vj6 s ILE 42 Cb -0.10 -3.20 -0.04 0.00 0.15 0.00 0.00 42.46 39.27 1vj6 s ILE 42 CO 0.43 -0.27 -0.00 -0.31 -2.11 0.00 0.00 174.94 172.68 1vj6 s TYR 43 N -2.26 0.72 -0.22 3.50 1.51 0.72 -0.19 117.35 121.14 1vj6 s TYR 43 Ca 0.36 -1.11 -0.14 0.00 -1.01 0.00 0.00 57.07 55.18 1vj6 s TYR 43 Cb -0.06 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1vj6 s TYR 43 CO 0.25 -0.39 0.30 0.08 -1.11 0.00 0.00 175.55 174.67 1vj6 s VAL 44 N -3.91 5.26 -0.11 0.71 1.01 -0.46 -1.24 120.40 121.66 1vj6 s VAL 44 Ca 0.15 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.69 1vj6 s VAL 44 Cb 0.07 -3.63 -0.24 0.00 0.00 0.00 0.00 36.38 32.58 1vj6 s VAL 44 CO -0.04 0.29 0.42 1.17 0.00 0.00 0.00 175.10 176.93 1vj6 n LYS 45 N 4.40 0.68 -3.78 2.72 3.00 0.26 -0.43 118.16 125.01 1vj6 n LYS 45 Ca -0.11 0.23 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 1vj6 n LYS 45 Cb 0.51 -1.71 -0.12 0.00 0.00 0.00 0.00 35.03 33.72 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 -2.56 -0.54 -0.04 3.14 0.00 -1.20 -4.70 121.76 115.85 1vj6 s ALA 46 Ca -0.13 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 1vj6 s ALA 46 Cb 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1vj6 s ALA 46 CO 0.79 -0.13 0.29 0.42 0.00 0.00 0.00 175.76 177.14 1vj6 s ILE 47 N 0.39 5.24 0.01 0.00 -1.09 -1.26 -1.22 121.20 123.27 1vj6 s ILE 47 Ca -0.02 0.54 -0.27 0.00 -2.23 0.00 0.00 60.65 58.67 1vj6 s ILE 47 Cb -0.04 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1vj6 s ILE 47 CO -0.02 0.57 0.86 -0.63 -1.23 0.00 0.00 174.94 174.49 1vj6 s ILE 48 N -1.08 4.81 -0.46 2.92 1.01 -0.44 -5.00 121.20 122.96 1vj6 s ILE 48 Ca 0.21 1.81 -0.26 0.00 0.00 0.00 0.00 60.65 62.40 1vj6 s ILE 48 Cb -0.15 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 1vj6 s ILE 48 CO 0.10 0.26 2.40 -2.65 0.00 0.00 0.00 174.94 175.05 1vj6 n PRO 49 N 3.40 1.15 -2.79 2.79 -0.02 -1.26 -3.69 135.00 134.58 1vj6 n PRO 49 Ca 0.02 0.06 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1vj6 n PRO 49 Cb 0.51 -3.40 0.05 0.00 -0.02 0.00 0.00 33.50 30.64 1vj6 n PRO 49 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vj6 n LYS 50 N 8.97 -3.64 0.00 -0.52 4.76 -1.26 -5.03 118.16 121.43 1vj6 n LYS 50 Ca 0.37 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.28 1vj6 n LYS 50 Cb 0.53 -4.36 0.00 0.00 -1.84 0.00 0.00 35.03 29.35 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 51 N -1.08 1.69 0.00 0.72 0.00 -1.24 -4.94 105.19 100.34 1vj6 n GLY 51 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.96 -0.06 4.61 0.00 0.12 -4.71 120.51 119.43 1vj6 n ALA 52 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1vj6 n ALA 52 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 0.28 -0.40 0.00 0.00 -1.05 -1.99 119.26 116.10 1vj6 h ALA 53 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1vj6 h ALA 53 Cb 0.70 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1vj6 h ALA 53 CO 0.00 0.32 0.27 1.49 0.00 0.00 0.00 179.25 181.32 1vj6 h GLU 54 N 0.18 0.36 0.00 0.00 4.81 -1.81 -1.90 114.58 116.22 1vj6 h GLU 54 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1vj6 h GLU 54 Cb 0.92 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1vj6 h GLU 54 CO 0.07 0.24 0.00 0.45 -0.73 0.00 0.00 179.01 179.04 1vj6 n SER 55 N -4.48 0.00 0.00 1.04 2.88 -0.77 -2.89 113.62 109.39 1vj6 n SER 55 Ca 0.04 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.50 1vj6 n SER 55 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.72 0.00 0.00 -3.46 2.03 -0.71 -5.02 116.55 108.67 1vj6 n ASP 56 Ca 0.07 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.41 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 1.53 2.60 0.17 0.27 0.00 -1.14 -4.99 105.19 103.63 1vj6 n GLY 57 Ca 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.92 1.61 -0.00 -1.90 -3.46 114.38 103.71 1vj6 h ARG 58 Ca 0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.98 58.98 1vj6 h ARG 58 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 29.97 30.01 1vj6 h ARG 58 CO 0.00 0.00 0.47 0.42 0.00 0.00 0.00 179.97 180.86 1vj6 s ILE 59 N -3.18 3.38 0.31 2.04 1.01 -1.26 -5.04 121.20 118.46 1vj6 s ILE 59 Ca 0.08 1.17 0.05 0.00 0.00 0.00 0.00 60.65 61.95 1vj6 s ILE 59 Cb 0.08 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1vj6 s ILE 59 CO 0.64 0.12 0.31 1.57 0.00 0.00 0.00 174.94 177.57 1vj6 n HIS 60 N 0.26 -0.89 -2.74 3.97 -0.00 -1.26 -4.97 115.22 109.59 1vj6 n HIS 60 Ca 0.03 -2.46 -0.41 0.00 0.46 0.00 0.00 57.72 55.35 1vj6 n HIS 60 Cb 0.47 0.33 -0.05 0.00 -0.12 0.00 0.00 29.99 30.62 1vj6 n HIS 60 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1vj6 s LYS 61 N -3.11 4.71 0.00 1.57 -2.85 -1.26 -3.29 119.74 115.51 1vj6 s LYS 61 Ca 0.34 1.44 0.00 0.00 -1.00 0.00 0.00 55.97 56.75 1vj6 s LYS 61 Cb 0.01 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.42 1vj6 s LYS 61 CO 0.24 0.25 0.00 0.41 0.10 0.00 0.00 175.35 176.35 1vj6 n GLY 62 N 2.17 2.44 3.79 0.59 0.00 0.43 -5.01 105.19 109.59 1vj6 n GLY 62 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.46 4.84 -0.15 1.61 1.01 -1.21 -4.67 116.67 116.65 1vj6 s ASP 63 Ca 0.00 1.77 -0.07 0.00 0.71 0.00 0.00 52.55 54.95 1vj6 s ASP 63 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1vj6 s ASP 63 CO 0.00 -1.81 0.11 -0.60 0.21 0.00 0.00 175.17 173.08 1vj6 s ARG 64 N -4.89 3.73 -0.30 8.23 3.52 -0.78 -1.36 118.95 127.10 1vj6 s ARG 64 Ca 0.60 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.94 1vj6 s ARG 64 Cb -0.16 -3.22 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1vj6 s ARG 64 CO 0.55 0.52 0.02 0.08 -0.81 0.00 0.00 175.30 175.66 1vj6 s VAL 65 N -0.30 3.30 -0.19 7.11 1.01 0.74 -0.20 120.40 131.87 1vj6 s VAL 65 Ca 0.10 -1.15 0.10 0.00 0.00 0.00 0.00 61.98 61.04 1vj6 s VAL 65 Cb -0.12 -2.82 -0.19 0.00 0.00 0.00 0.00 36.38 33.26 1vj6 s VAL 65 CO 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.04 1vj6 n LEU 66 N 4.71 1.09 -3.61 3.92 -0.00 -0.36 -2.06 117.00 120.71 1vj6 n LEU 66 Ca -0.14 -0.04 -0.12 0.00 -0.00 0.00 0.00 56.01 55.71 1vj6 n LEU 66 Cb 0.45 -0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 1vj6 n LEU 66 CO 0.28 0.59 0.20 0.00 -0.00 0.00 0.00 177.39 178.47 1vj6 s ALA 67 N -2.43 -1.08 -0.06 1.47 0.00 -1.02 -2.00 121.76 116.63 1vj6 s ALA 67 Ca -0.16 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1vj6 s ALA 67 Cb 0.06 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1vj6 s ALA 67 CO 0.64 -0.59 -0.10 0.08 0.00 0.00 0.00 175.76 175.78 1vj6 s VAL 68 N -3.30 1.01 -1.72 0.00 1.01 -0.44 -0.05 120.40 116.91 1vj6 s VAL 68 Ca -0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1vj6 s VAL 68 Cb 0.01 -0.94 0.16 0.00 0.00 0.00 0.00 36.38 35.60 1vj6 s VAL 68 CO -0.08 0.33 0.40 -0.46 0.00 0.00 0.00 175.10 175.29 1vj6 n ASN 69 N 3.91 -0.94 0.00 3.32 2.04 0.11 -0.25 115.26 123.44 1vj6 n ASN 69 Ca -0.23 -1.21 0.00 0.00 -0.44 0.00 0.00 54.58 52.70 1vj6 n ASN 69 Cb 0.51 -1.54 0.00 0.00 -2.53 0.00 0.00 39.78 36.23 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1vj6 n GLY 70 N -1.49 0.52 3.17 4.83 0.00 -1.26 -5.00 105.19 105.95 1vj6 n GLY 70 Ca -0.02 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 4.00 0.61 1.61 1.01 0.65 -5.07 120.40 121.21 1vj6 s VAL 71 Ca 0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 61.98 59.50 1vj6 s VAL 71 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1vj6 s VAL 71 CO 0.00 -0.82 1.09 -0.94 0.00 0.00 0.00 175.10 174.43 1vj6 s SER 72 N 1.77 5.48 -1.39 3.32 1.04 -1.26 -1.32 113.70 121.35 1vj6 s SER 72 Ca 0.11 1.97 -0.15 0.00 0.48 0.00 0.00 55.95 58.36 1vj6 s SER 72 Cb -0.22 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.41 1vj6 s SER 72 CO -0.03 -1.37 2.01 0.18 0.98 0.00 0.00 173.24 175.00 1vj6 n LEU 73 N -2.03 6.07 -4.56 2.42 4.77 -0.85 -4.92 117.00 117.91 1vj6 n LEU 73 Ca 0.10 -4.08 -0.43 0.00 -0.03 0.00 0.00 56.01 51.57 1vj6 n LEU 73 Cb 0.52 -1.69 -0.04 0.00 -2.33 0.00 0.00 43.42 39.89 1vj6 n LEU 73 CO 0.46 0.74 0.83 -1.83 -1.33 0.00 0.00 177.39 176.25 1vj6 s GLU 74 N 3.47 3.47 -0.05 3.23 4.04 -1.26 -3.76 118.70 127.83 1vj6 s GLU 74 Ca 0.49 0.06 0.00 0.00 0.04 0.00 0.00 54.97 55.57 1vj6 s GLU 74 Cb 0.10 -3.98 0.00 0.00 0.02 0.00 0.00 34.13 30.26 1vj6 s GLU 74 CO -0.02 -1.40 0.00 0.41 -1.84 0.00 0.00 175.26 172.41 1vj6 n GLY 75 N 5.01 0.43 3.77 -3.83 0.00 -1.26 -5.00 105.19 104.32 1vj6 n GLY 75 Ca 0.05 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 3.32 0.04 4.61 0.00 -1.25 -4.73 121.76 121.91 1vj6 s ALA 76 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1vj6 s ALA 76 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1vj6 s ALA 76 CO 0.00 0.22 0.00 0.25 0.00 0.00 0.00 175.76 176.23 1vj6 n THR 77 N 1.14 0.00 0.09 0.00 -2.24 -1.26 -0.57 114.28 111.43 1vj6 n THR 77 Ca -0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1vj6 n THR 77 Cb 0.49 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.24 -0.33 4.78 -0.00 -1.91 -2.30 115.15 115.15 1vj6 h HIS 78 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.21 1vj6 h HIS 78 Cb 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1vj6 h HIS 78 CO 0.00 0.15 -0.40 -0.22 -0.00 0.00 0.00 177.93 177.46 1vj6 h LYS 79 N -0.72 0.82 -0.50 5.26 3.64 -1.95 -1.00 116.57 122.12 1vj6 h LYS 79 Ca -0.03 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1vj6 h LYS 79 Cb 0.50 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1vj6 h LYS 79 CO 0.04 1.07 -0.00 0.37 -2.27 0.00 0.00 179.45 178.66 1vj6 h GLN 80 N 0.67 0.84 -0.42 1.90 4.15 -1.93 -1.19 115.11 119.13 1vj6 h GLN 80 Ca 0.05 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1vj6 h GLN 80 Cb 0.97 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 1vj6 h GLN 80 CO 0.09 0.84 -0.04 0.00 -1.93 0.00 0.00 178.83 177.79 1vj6 h ALA 81 N 1.21 1.14 0.50 3.38 0.00 -1.22 -1.19 119.26 123.08 1vj6 h ALA 81 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1vj6 h ALA 81 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1vj6 h ALA 81 CO 0.02 0.55 -0.38 0.28 0.00 0.00 0.00 179.25 179.72 1vj6 h VAL 82 N 0.65 0.23 -1.02 0.00 2.07 -0.94 -2.31 116.25 114.93 1vj6 h VAL 82 Ca 0.12 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.90 1vj6 h VAL 82 Cb 0.47 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 30.35 1vj6 h VAL 82 CO 0.02 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.15 1vj6 h GLU 83 N -0.86 0.50 -0.22 1.57 4.81 -1.01 0.49 114.58 119.85 1vj6 h GLU 83 Ca -0.05 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1vj6 h GLU 83 Cb 0.73 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1vj6 h GLU 83 CO 0.01 0.33 -0.15 1.15 -0.73 0.00 0.00 179.01 179.62 1vj6 h THR 84 N 0.52 1.22 0.00 0.32 2.02 -0.99 -0.44 112.91 115.56 1vj6 h THR 84 Ca 0.64 -0.96 -0.29 0.00 0.77 0.00 0.00 66.41 66.57 1vj6 h THR 84 Cb 1.34 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 1vj6 h THR 84 CO -0.43 0.31 -1.73 0.18 0.37 0.00 0.00 175.52 174.22 1vj6 n LEU 85 N -4.22 0.81 -0.07 2.58 4.77 -0.21 -4.68 117.00 115.98 1vj6 n LEU 85 Ca -0.00 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 1vj6 n LEU 85 Cb 0.31 0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1vj6 n LEU 85 CO 0.39 0.37 -0.32 -0.09 -1.33 0.00 0.00 177.39 176.42 1vj6 h ARG 86 N 0.00 0.05 -1.51 3.23 1.12 0.03 -3.37 114.38 113.93 1vj6 h ARG 86 Ca -0.29 -0.08 -0.23 0.00 -1.11 0.00 0.00 59.98 58.26 1vj6 h ARG 86 Cb 1.99 0.03 -0.11 0.00 -0.01 0.00 0.00 29.97 31.88 1vj6 h ARG 86 CO 0.07 1.04 0.30 -1.71 -3.11 0.00 0.00 179.97 176.56 1vj6 n ASN 87 N -4.35 5.59 -4.95 -3.80 5.15 -0.19 -4.88 115.26 107.83 1vj6 n ASN 87 Ca -0.26 -2.84 -0.24 0.00 -0.60 0.00 0.00 54.58 50.64 1vj6 n ASN 87 Cb 0.69 -0.98 -0.02 0.00 -0.53 0.00 0.00 39.78 38.94 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 -1.62 5.14 -1.36 -0.44 -4.23 -1.26 -5.01 115.64 106.85 1vj6 s THR 88 Ca 0.23 -0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1vj6 s THR 88 Cb 0.18 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 70.27 1vj6 s THR 88 CO 0.01 -0.48 2.32 0.61 -0.54 0.00 0.00 174.62 176.53 1vj6 n GLY 89 N -1.61 4.92 5.00 3.99 0.00 -1.26 -4.80 105.19 111.43 1vj6 n GLY 89 Ca -0.06 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1vj6 n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vj6 n GLN 90 N 2.80 0.00 -2.71 1.61 7.27 -1.26 -4.84 117.38 120.25 1vj6 n GLN 90 Ca 0.58 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 57.23 1vj6 n GLN 90 Cb 0.28 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.91 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 4.80 -0.38 1.69 1.01 -1.26 -3.13 120.40 123.14 1vj6 s VAL 91 Ca 0.00 2.02 -0.08 0.00 0.00 0.00 0.00 61.98 63.91 1vj6 s VAL 91 Cb 0.00 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.13 1vj6 s VAL 91 CO 0.00 0.03 0.19 -0.69 0.00 0.00 0.00 175.10 174.62 1vj6 s VAL 92 N 1.88 4.08 -0.74 2.92 1.01 0.43 -4.93 120.40 125.05 1vj6 s VAL 92 Ca 0.48 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1vj6 s VAL 92 Cb -0.18 -3.39 0.10 0.00 0.00 0.00 0.00 36.38 32.90 1vj6 s VAL 92 CO 0.19 -0.33 0.98 -2.28 0.00 0.00 0.00 175.10 173.66 1vj6 s HIS 93 N 1.43 2.87 -0.19 5.22 2.46 -1.26 -1.76 115.29 124.06 1vj6 s HIS 93 Ca 0.01 -0.89 -0.20 0.00 0.47 0.00 0.00 55.06 54.44 1vj6 s HIS 93 Cb -0.21 -4.25 -0.03 0.00 -0.13 0.00 0.00 32.58 27.96 1vj6 s HIS 93 CO 0.03 -1.55 0.61 -0.51 -2.47 0.00 0.00 174.74 170.85 1vj6 s LEU 94 N 3.40 4.16 -0.61 8.88 1.43 0.21 0.03 118.68 136.18 1vj6 s LEU 94 Ca 0.24 0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 53.96 1vj6 s LEU 94 Cb -0.14 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.30 1vj6 s LEU 94 CO 0.03 -0.24 0.83 -0.22 0.23 0.00 0.00 176.35 176.98 1vj6 s LEU 95 N 1.74 4.81 0.02 1.79 0.20 0.93 -0.81 118.68 127.36 1vj6 s LEU 95 Ca 0.28 -1.12 -0.01 0.00 0.69 0.00 0.00 54.13 53.97 1vj6 s LEU 95 Cb -0.16 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.16 1vj6 s LEU 95 CO 0.11 -1.25 0.17 -0.76 -0.29 0.00 0.00 176.35 174.33 1vj6 s LEU 96 N 3.39 4.27 -0.03 -0.68 1.43 -0.49 -1.22 118.68 125.36 1vj6 s LEU 96 Ca 0.18 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 1vj6 s LEU 96 Cb -0.20 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1vj6 s LEU 96 CO 0.09 0.23 -0.21 -0.70 0.23 0.00 0.00 176.35 175.99 1vj6 s GLU 97 N -2.13 1.85 -0.19 1.70 2.12 0.72 -1.59 118.70 121.19 1vj6 s GLU 97 Ca 0.29 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 1vj6 s GLU 97 Cb -0.13 -1.71 -0.01 0.00 0.26 0.00 0.00 34.13 32.54 1vj6 s GLU 97 CO 0.21 0.40 1.31 0.21 -0.54 0.00 0.00 175.26 176.86 1vj6 s LYS 98 N -0.35 4.15 -0.75 4.30 2.47 -0.28 -1.86 119.74 127.42 1vj6 s LYS 98 Ca 0.04 1.61 -0.05 0.00 -1.56 0.00 0.00 55.97 56.02 1vj6 s LYS 98 Cb -0.10 -3.81 0.03 0.00 -1.46 0.00 0.00 37.83 32.49 1vj6 s LYS 98 CO 0.00 -0.83 2.76 0.41 0.16 0.00 0.00 175.35 177.86 1vj6 n GLY 99 N 3.83 4.46 3.10 5.54 0.00 -1.26 -2.83 105.19 118.03 1vj6 n GLY 99 Ca 0.14 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.98 1.09 0.29 1.61 -0.21 -1.26 -4.75 119.66 115.45 1vj6 s GLN 100 Ca 0.59 -0.48 -0.02 0.00 0.02 0.00 0.00 55.36 55.46 1vj6 s GLN 100 Cb 0.30 -1.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.21 1vj6 s GLN 100 CO -0.15 0.29 0.52 0.14 -2.12 0.00 0.00 175.29 173.97 1vj6 s VAL 101 N -0.32 5.09 -2.00 1.09 -7.23 -1.26 -3.25 120.40 112.51 1vj6 s VAL 101 Ca 0.05 -0.19 0.21 0.00 -1.81 0.00 0.00 61.98 60.24 1vj6 s VAL 101 Cb -0.05 -3.77 0.58 0.00 0.56 0.00 0.00 36.38 33.70 1vj6 s VAL 101 CO -0.00 -0.37 1.61 -0.81 -0.31 0.00 0.00 175.10 175.22