#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 0.54 0.25 3.17 1.02 -1.26 -5.14 119.74 118.32 1vj6 s LYS 9 Ca 0.00 -0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.58 1vj6 s LYS 9 Cb 0.00 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.46 1vj6 s LYS 9 CO 0.00 -0.13 1.19 -1.25 -0.92 0.00 0.00 175.35 174.24 1vj6 s PRO 10 N -1.02 4.51 -0.29 -1.68 0.04 -1.26 -3.84 135.00 131.46 1vj6 s PRO 10 Ca -0.11 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1vj6 s PRO 10 Cb -0.05 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1vj6 s PRO 10 CO 0.03 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.47 1vj6 n GLY 11 N 1.54 0.59 3.72 0.56 0.00 -1.24 -5.01 105.19 105.35 1vj6 n GLY 11 Ca 0.02 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.93 7.23 -0.19 1.61 -1.08 -1.25 -4.75 116.67 115.32 1vj6 s ASP 12 Ca 0.00 1.49 -0.11 0.00 -0.52 0.00 0.00 52.55 53.40 1vj6 s ASP 12 Cb 0.00 -2.51 -0.05 0.00 -1.46 0.00 0.00 42.92 38.90 1vj6 s ASP 12 CO 0.00 -0.17 0.19 0.42 0.52 0.00 0.00 175.17 176.13 1vj6 s THR 13 N 0.75 5.37 -0.19 1.71 -4.23 -1.26 -0.87 115.64 116.92 1vj6 s THR 13 Ca 0.45 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1vj6 s THR 13 Cb -0.20 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1vj6 s THR 13 CO 0.24 0.41 -0.14 0.72 -0.54 0.00 0.00 174.62 175.32 1vj6 s PHE 14 N 0.45 2.51 -1.07 3.99 -0.71 0.19 -4.98 117.98 118.36 1vj6 s PHE 14 Ca 0.11 -1.57 -0.19 0.00 -1.04 0.00 0.00 56.93 54.24 1vj6 s PHE 14 Cb -0.12 -1.72 0.10 0.00 -1.21 0.00 0.00 43.02 40.07 1vj6 s PHE 14 CO 0.00 -0.75 1.39 -1.21 -1.34 0.00 0.00 175.22 173.32 1vj6 s GLU 15 N 1.37 3.75 -0.21 1.99 8.01 -1.26 -1.69 118.70 130.66 1vj6 s GLU 15 Ca 0.01 -1.73 -0.26 0.00 0.01 0.00 0.00 54.97 53.00 1vj6 s GLU 15 Cb -0.15 -5.20 -0.00 0.00 -4.31 0.00 0.00 34.13 24.47 1vj6 s GLU 15 CO -0.10 -2.00 0.90 0.08 0.01 0.00 0.00 175.26 174.15 1vj6 s VAL 16 N 3.53 4.80 -0.19 2.63 1.01 -0.44 -4.87 120.40 126.87 1vj6 s VAL 16 Ca 0.43 1.74 0.01 0.00 0.00 0.00 0.00 61.98 64.16 1vj6 s VAL 16 Cb -0.01 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1vj6 s VAL 16 CO -0.05 -0.08 -0.13 -1.83 0.00 0.00 0.00 175.10 173.01 1vj6 s GLU 17 N 2.74 2.32 0.22 2.72 -1.05 -1.26 0.50 118.70 124.90 1vj6 s GLU 17 Ca 0.39 -0.81 -0.13 0.00 -0.15 0.00 0.00 54.97 54.27 1vj6 s GLU 17 Cb -0.16 -2.40 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 1vj6 s GLU 17 CO 0.09 -0.34 0.46 -0.48 0.95 0.00 0.00 175.26 175.93 1vj6 s LEU 18 N 1.37 0.37 -0.11 1.83 2.34 -0.87 -4.94 118.68 118.67 1vj6 s LEU 18 Ca 0.01 -0.80 -0.04 0.00 0.06 0.00 0.00 54.13 53.36 1vj6 s LEU 18 Cb -0.15 1.77 -0.04 0.00 -0.56 0.00 0.00 46.19 47.22 1vj6 s LEU 18 CO -0.10 -1.08 0.06 0.00 -1.06 0.00 0.00 176.35 174.17 1vj6 s ALA 19 N -3.97 3.50 0.70 1.48 0.00 -1.26 -0.33 121.76 121.88 1vj6 s ALA 19 Ca 0.18 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 1vj6 s ALA 19 Cb -0.00 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.44 1vj6 s ALA 19 CO 0.04 0.55 1.06 0.15 0.00 0.00 0.00 175.76 177.57 1vj6 s LYS 20 N -0.79 2.87 -1.21 0.00 1.02 -1.24 -4.94 119.74 115.45 1vj6 s LYS 20 Ca 0.13 0.87 -0.09 0.00 0.02 0.00 0.00 55.97 56.90 1vj6 s LYS 20 Cb -0.12 -1.99 0.21 0.00 -0.52 0.00 0.00 37.83 35.41 1vj6 s LYS 20 CO 0.03 -1.13 1.69 2.41 -0.92 0.00 0.00 175.35 177.43 1vj6 n THR 21 N -3.14 4.60 -3.44 2.17 -1.04 0.47 -4.58 114.28 109.32 1vj6 n THR 21 Ca 0.07 -4.87 -0.19 0.00 -2.04 0.00 0.00 64.05 57.02 1vj6 n THR 21 Cb 0.54 -2.31 0.03 0.00 -1.82 0.00 0.00 70.33 66.77 1vj6 n THR 21 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1vj6 n ASP 22 N 3.38 -6.19 -0.40 8.00 8.00 -1.26 -3.93 116.55 124.15 1vj6 n ASP 22 Ca 0.35 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1vj6 n ASP 22 Cb 0.36 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vj6 n GLY 23 N -1.59 0.89 3.15 0.44 0.00 -1.26 -5.04 105.19 101.78 1vj6 n GLY 23 Ca -0.09 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.33 1vj6 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vj6 s SER 24 N -2.93 -0.18 0.05 1.61 0.01 -1.25 -5.02 113.70 106.00 1vj6 s SER 24 Ca 0.00 0.10 -0.22 0.00 1.31 0.00 0.00 55.95 57.14 1vj6 s SER 24 Cb 0.00 1.14 -0.13 0.00 0.21 0.00 0.00 66.02 67.24 1vj6 s SER 24 CO 0.00 -0.03 1.49 -0.07 0.41 0.00 0.00 173.24 175.04 1vj6 h LEU 25 N 7.88 0.21 0.00 2.44 3.38 -1.92 0.14 115.31 127.43 1vj6 h LEU 25 Ca -0.11 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1vj6 h LEU 25 Cb 1.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1vj6 h LEU 25 CO -0.20 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1vj6 n GLY 26 N -0.31 1.32 3.18 0.83 0.00 -1.26 -0.79 105.19 108.16 1vj6 n GLY 26 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.69 1.87 -0.15 -0.61 -4.36 -1.26 -2.51 121.20 112.49 1vj6 s ILE 27 Ca 0.00 -0.91 -0.29 0.00 -0.26 0.00 0.00 60.65 59.19 1vj6 s ILE 27 Cb 0.00 -1.63 -0.01 0.00 1.25 0.00 0.00 42.46 42.07 1vj6 s ILE 27 CO 0.00 0.52 1.08 -0.44 0.24 0.00 0.00 174.94 176.34 1vj6 s SER 28 N 0.44 7.13 -0.03 4.36 0.01 -0.62 -5.00 113.70 119.98 1vj6 s SER 28 Ca -0.17 1.55 -0.19 0.00 1.31 0.00 0.00 55.95 58.44 1vj6 s SER 28 Cb -0.17 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 1vj6 s SER 28 CO 0.07 -0.58 0.54 0.68 0.41 0.00 0.00 173.24 174.36 1vj6 s VAL 29 N 2.63 5.00 0.27 3.43 -7.23 -1.26 -0.33 120.40 122.91 1vj6 s VAL 29 Ca 0.49 1.12 0.03 0.00 -1.81 0.00 0.00 61.98 61.81 1vj6 s VAL 29 Cb -0.19 -3.87 -0.06 0.00 0.56 0.00 0.00 36.38 32.82 1vj6 s VAL 29 CO 0.14 0.41 0.04 0.28 -0.31 0.00 0.00 175.10 175.66 1vj6 s THR 30 N -0.09 1.00 0.00 5.32 -1.32 0.21 -4.81 115.64 115.95 1vj6 s THR 30 Ca 0.29 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 1vj6 s THR 30 Cb -0.17 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 1vj6 s THR 30 CO 0.15 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1vj6 n GLY 31 N -0.53 -0.02 0.00 6.08 0.00 -1.26 -0.65 105.19 108.81 1vj6 n GLY 31 Ca -0.03 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.35 0.33 -0.02 0.00 -0.62 -4.23 105.19 100.30 1vj6 n GLY 32 Ca 0.00 -1.74 0.20 0.00 0.00 0.00 0.00 46.02 44.48 1vj6 n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1vj6 h VAL 33 N 0.00 0.16 0.00 1.61 -1.51 -0.85 -2.47 116.25 113.18 1vj6 h VAL 33 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1vj6 h VAL 33 Cb 0.00 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1vj6 h VAL 33 CO 0.00 0.00 -0.05 -1.13 -1.23 0.00 0.00 177.57 175.16 1vj6 h ASN 34 N 0.00 0.00 -1.79 4.19 -1.24 -1.83 -3.44 115.58 111.48 1vj6 h ASN 34 Ca 0.01 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.48 1vj6 h ASN 34 Cb 0.15 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.12 1vj6 h ASN 34 CO -0.00 0.05 -0.51 0.42 -1.29 0.00 0.00 177.43 176.09 1vj6 s THR 35 N -3.60 2.87 -0.72 -3.57 -4.23 -0.93 -5.07 115.64 100.38 1vj6 s THR 35 Ca 0.02 -1.65 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 1vj6 s THR 35 Cb 0.09 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.99 1vj6 s THR 35 CO 0.58 -0.13 1.12 -0.44 -0.54 0.00 0.00 174.62 175.21 1vj6 s SER 36 N -3.89 6.20 -0.37 3.99 0.01 -1.26 -4.81 113.70 113.57 1vj6 s SER 36 Ca 0.39 -0.83 0.13 0.00 1.31 0.00 0.00 55.95 56.95 1vj6 s SER 36 Cb -0.01 -2.48 0.40 0.00 0.21 0.00 0.00 66.02 64.13 1vj6 s SER 36 CO 0.23 -1.59 0.98 0.55 0.41 0.00 0.00 173.24 173.82 1vj6 n VAL 37 N 6.13 0.34 0.00 3.43 3.14 -1.26 -5.00 118.33 125.11 1vj6 n VAL 37 Ca 0.02 -3.02 0.00 0.00 -2.96 0.00 0.00 64.34 58.38 1vj6 n VAL 37 Cb 0.47 0.57 0.00 0.00 -1.06 0.00 0.00 33.84 33.82 1vj6 n VAL 37 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1vj6 n ARG 38 N -0.00 0.00 0.00 1.45 3.00 -1.26 -4.20 116.66 115.65 1vj6 n ARG 38 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 1vj6 n ARG 38 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.22 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1vj6 n HIS 39 N 0.00 0.00 -1.00 -1.55 -0.00 -1.26 -5.10 115.22 106.32 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 0.83 0.25 3.92 1.57 0.00 -1.26 -4.30 105.19 106.20 1vj6 n GLY 40 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.73 0.14 -0.02 0.00 -1.26 -3.69 107.32 104.23 1vj6 s GLY 41 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.72 1vj6 s GLY 41 CO 0.00 -0.36 -0.07 -1.50 0.00 0.00 0.00 173.10 171.17 1vj6 s ILE 42 N -3.80 3.43 0.07 0.90 1.10 -0.98 -1.59 121.20 120.34 1vj6 s ILE 42 Ca 0.71 -1.38 0.02 0.00 -0.51 0.00 0.00 60.65 59.49 1vj6 s ILE 42 Cb -0.06 -2.66 -0.03 0.00 0.15 0.00 0.00 42.46 39.86 1vj6 s ILE 42 CO 0.52 0.01 -0.07 -0.31 -2.11 0.00 0.00 174.94 172.98 1vj6 s TYR 43 N -1.44 0.78 0.12 3.50 1.51 0.18 0.09 117.35 122.09 1vj6 s TYR 43 Ca 0.24 -0.72 -0.27 0.00 -1.01 0.00 0.00 57.07 55.31 1vj6 s TYR 43 Cb -0.10 -0.46 -0.07 0.00 -0.11 0.00 0.00 41.96 41.22 1vj6 s TYR 43 CO 0.15 -0.12 0.85 0.08 -1.11 0.00 0.00 175.55 175.40 1vj6 s VAL 44 N -2.54 4.48 -0.21 0.71 1.01 -1.13 -0.62 120.40 122.09 1vj6 s VAL 44 Ca 0.01 1.84 -0.18 0.00 0.00 0.00 0.00 61.98 63.65 1vj6 s VAL 44 Cb -0.02 -4.21 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 1vj6 s VAL 44 CO -0.02 0.41 0.01 1.17 0.00 0.00 0.00 175.10 176.67 1vj6 n LYS 45 N 2.31 0.55 -3.96 2.72 3.00 0.55 -4.40 118.16 118.93 1vj6 n LYS 45 Ca -0.02 0.49 -0.13 0.00 -0.00 0.00 0.00 58.31 58.65 1vj6 n LYS 45 Cb 0.49 -1.67 -0.14 0.00 0.00 0.00 0.00 35.03 33.71 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 -2.47 0.15 -0.19 3.14 0.00 -1.23 -4.83 121.76 116.33 1vj6 s ALA 46 Ca -0.29 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 1vj6 s ALA 46 Cb 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1vj6 s ALA 46 CO 0.51 0.00 0.07 0.42 0.00 0.00 0.00 175.76 176.77 1vj6 s ILE 47 N -0.29 4.79 0.17 0.00 -1.09 -1.26 -1.58 121.20 121.94 1vj6 s ILE 47 Ca -0.02 -0.03 -0.26 0.00 -2.23 0.00 0.00 60.65 58.11 1vj6 s ILE 47 Cb -0.02 -3.17 -0.08 0.00 -1.58 0.00 0.00 42.46 37.61 1vj6 s ILE 47 CO -0.00 0.44 0.80 0.27 -1.23 0.00 0.00 174.94 175.22 1vj6 s ILE 48 N 0.54 4.35 -1.43 2.92 -4.36 -1.05 -4.97 121.20 117.20 1vj6 s ILE 48 Ca 0.04 1.75 -0.12 0.00 -0.26 0.00 0.00 60.65 62.05 1vj6 s ILE 48 Cb -0.13 -4.16 0.06 0.00 1.25 0.00 0.00 42.46 39.48 1vj6 s ILE 48 CO 0.01 0.51 2.22 -0.81 0.24 0.00 0.00 174.94 177.12 1vj6 n PRO 49 N 1.64 3.14 0.00 0.37 -0.04 -1.26 -4.49 135.00 134.36 1vj6 n PRO 49 Ca -0.05 -2.79 0.00 0.00 -0.04 0.00 0.00 63.50 60.62 1vj6 n PRO 49 Cb 0.49 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 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 5.26 0.00 0.00 0.54 5.02 -1.26 -5.13 118.16 122.59 1vj6 n LYS 50 Ca 0.52 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1vj6 n LYS 50 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 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 4.46 0.00 0.14 0.72 0.00 -1.26 -4.93 105.19 104.32 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 0.00 1.08 -0.11 4.61 0.00 -1.25 -4.55 120.51 120.30 1vj6 n ALA 52 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1vj6 n ALA 52 Cb 0.00 0.00 -0.02 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 -1.05 0.42 -1.00 0.00 0.00 -1.29 -2.17 119.26 114.16 1vj6 h ALA 53 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1vj6 h ALA 53 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 1vj6 h ALA 53 CO 0.00 0.04 0.62 1.49 0.00 0.00 0.00 179.25 181.40 1vj6 h GLU 54 N 0.37 0.89 0.00 0.00 4.81 -1.85 -2.81 114.58 115.99 1vj6 h GLU 54 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1vj6 h GLU 54 Cb 0.21 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1vj6 h GLU 54 CO -0.01 0.59 0.00 1.03 -0.73 0.00 0.00 179.01 179.89 1vj6 h SER 55 N 0.92 0.00 0.20 1.04 0.87 -1.65 -3.40 113.55 111.54 1vj6 h SER 55 Ca 0.52 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.07 1vj6 h SER 55 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1vj6 h SER 55 CO -0.30 0.00 -0.10 -0.78 -0.53 0.00 0.00 176.83 175.12 1vj6 h ASP 56 N 0.00 -0.23 0.00 6.23 3.58 -1.16 -3.48 116.42 121.36 1vj6 h ASP 56 Ca 0.00 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1vj6 h ASP 56 Cb 0.79 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.90 1vj6 h ASP 56 CO 0.00 0.24 0.00 0.61 -2.88 0.00 0.00 179.24 177.21 1vj6 n GLY 57 N 0.21 -2.07 0.02 -0.78 0.00 -1.26 -5.03 105.19 96.28 1vj6 n GLY 57 Ca -0.08 0.63 0.14 0.00 0.00 0.00 0.00 46.02 46.71 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 -1.10 0.25 -2.36 1.61 1.74 -1.26 -4.89 116.66 110.64 1vj6 n ARG 58 Ca 0.00 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.62 1vj6 n ARG 58 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.78 3.98 0.00 0.55 1.01 -1.26 -5.02 121.20 117.68 1vj6 s ILE 59 Ca 0.21 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.22 1vj6 s ILE 59 Cb 0.19 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1vj6 s ILE 59 CO 0.52 0.03 0.00 1.57 0.00 0.00 0.00 174.94 177.05 1vj6 n HIS 60 N 4.92 0.00 -2.44 3.97 -0.00 -1.26 -4.76 115.22 115.65 1vj6 n HIS 60 Ca 0.11 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.87 1vj6 n HIS 60 Cb 0.45 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.33 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 4.19 -1.94 1.57 2.85 -1.26 -4.48 118.16 119.09 1vj6 n LYS 61 Ca 0.00 -3.85 -0.01 0.00 -1.05 0.00 0.00 58.31 53.40 1vj6 n LYS 61 Cb 0.00 -2.73 0.01 0.00 -0.65 0.00 0.00 35.03 31.66 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 1.98 -0.65 3.76 2.58 0.00 -1.26 -4.90 105.19 106.70 1vj6 n GLY 62 Ca 0.42 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.15 4.28 -0.13 1.61 1.01 -1.26 -3.07 116.67 118.96 1vj6 s ASP 63 Ca 0.02 -1.36 0.01 0.00 0.71 0.00 0.00 52.55 51.92 1vj6 s ASP 63 Cb 0.06 0.07 -0.01 0.00 1.01 0.00 0.00 42.92 44.04 1vj6 s ASP 63 CO -0.02 -0.75 -0.15 -0.60 0.21 0.00 0.00 175.17 173.86 1vj6 s ARG 64 N -3.94 3.31 -0.28 8.23 3.00 -0.73 -2.85 118.95 125.68 1vj6 s ARG 64 Ca 0.26 -0.73 -0.11 0.00 -1.00 0.00 0.00 55.73 54.15 1vj6 s ARG 64 Cb 0.03 -2.56 -0.05 0.00 0.00 0.00 0.00 34.95 32.37 1vj6 s ARG 64 CO 0.15 0.19 0.19 0.54 0.00 0.00 0.00 175.30 176.37 1vj6 s VAL 65 N 0.38 5.29 -0.18 7.11 0.11 0.11 -0.24 120.40 132.98 1vj6 s VAL 65 Ca -0.12 0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1vj6 s VAL 65 Cb -0.16 -3.53 -0.22 0.00 -1.53 0.00 0.00 36.38 30.94 1vj6 s VAL 65 CO 0.06 0.24 0.10 0.00 -3.33 0.00 0.00 175.10 172.17 1vj6 n LEU 66 N 5.06 2.58 -3.96 2.54 -0.00 0.36 -2.31 117.00 121.27 1vj6 n LEU 66 Ca -0.14 0.05 -0.09 0.00 -0.00 0.00 0.00 56.01 55.83 1vj6 n LEU 66 Cb 0.52 -0.88 -0.11 0.00 -0.00 0.00 0.00 43.42 42.95 1vj6 n LEU 66 CO 0.33 0.85 -0.31 0.00 -0.00 0.00 0.00 177.39 178.26 1vj6 s ALA 67 N -2.54 0.02 -0.12 1.47 0.00 -1.08 -1.24 121.76 118.26 1vj6 s ALA 67 Ca -0.27 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1vj6 s ALA 67 Cb 0.08 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.38 1vj6 s ALA 67 CO 0.70 -0.18 -0.01 0.08 0.00 0.00 0.00 175.76 176.34 1vj6 s VAL 68 N -1.53 0.65 -1.73 0.00 1.01 0.42 -0.37 120.40 118.84 1vj6 s VAL 68 Ca -0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1vj6 s VAL 68 Cb -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1vj6 s VAL 68 CO -0.01 0.15 0.13 -3.20 0.00 0.00 0.00 175.10 172.17 1vj6 n ASN 69 N 5.04 -5.96 -0.40 3.32 5.15 -0.09 -1.51 115.26 120.81 1vj6 n ASN 69 Ca -0.09 -0.08 -0.03 0.00 -0.60 0.00 0.00 54.58 53.78 1vj6 n ASN 69 Cb 0.49 -4.93 -0.00 0.00 -0.53 0.00 0.00 39.78 34.81 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 -1.13 0.29 2.80 8.20 0.00 -1.26 -4.96 105.19 109.14 1vj6 n GLY 70 Ca -0.22 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.23 1.21 0.25 1.61 1.01 -0.57 -5.11 120.40 116.56 1vj6 s VAL 71 Ca 0.01 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 1vj6 s VAL 71 Cb -0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 1vj6 s VAL 71 CO 0.01 -0.65 1.25 -0.55 0.00 0.00 0.00 175.10 175.15 1vj6 s SER 72 N 1.45 6.97 -1.15 3.32 0.15 -1.26 -0.43 113.70 122.75 1vj6 s SER 72 Ca 0.10 2.43 -0.08 0.00 0.70 0.00 0.00 55.95 59.09 1vj6 s SER 72 Cb -0.18 -2.62 -0.12 0.00 -1.71 0.00 0.00 66.02 61.39 1vj6 s SER 72 CO -0.21 -0.42 3.09 0.18 1.20 0.00 0.00 173.24 177.08 1vj6 n LEU 73 N 1.78 7.74 -4.48 3.45 4.77 -0.37 -4.87 117.00 125.02 1vj6 n LEU 73 Ca 0.03 -4.09 -0.43 0.00 -0.03 0.00 0.00 56.01 51.49 1vj6 n LEU 73 Cb 0.43 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1vj6 n LEU 73 CO 0.57 1.97 1.01 -1.61 -1.33 0.00 0.00 177.39 178.00 1vj6 s GLU 74 N 1.49 3.38 0.00 3.23 0.41 -1.26 -3.57 118.70 122.37 1vj6 s GLU 74 Ca 0.68 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 1vj6 s GLU 74 Cb 0.22 -4.67 0.00 0.00 -1.78 0.00 0.00 34.13 27.90 1vj6 s GLU 74 CO -0.05 -1.91 0.00 0.41 -0.49 0.00 0.00 175.26 173.22 1vj6 n GLY 75 N 5.68 0.70 3.55 -1.39 0.00 -1.26 -5.11 105.19 107.36 1vj6 n GLY 75 Ca 0.13 -0.25 -0.31 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 -2.14 2.89 0.00 4.61 0.00 -1.23 -4.99 121.76 120.89 1vj6 s ALA 76 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1vj6 s ALA 76 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1vj6 s ALA 76 CO 0.00 0.62 0.00 -2.37 0.00 0.00 0.00 175.76 174.01 1vj6 n THR 77 N 1.08 0.00 0.04 0.00 5.66 -1.26 -0.38 114.28 119.43 1vj6 n THR 77 Ca -0.14 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.74 1vj6 n THR 77 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 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 0.53 -0.87 0.05 1.09 2.76 -1.92 0.61 115.15 117.40 1vj6 h HIS 78 Ca 0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1vj6 h HIS 78 Cb 0.00 0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1vj6 h HIS 78 CO 0.00 -0.40 -0.02 -0.22 -1.30 0.00 0.00 177.93 175.98 1vj6 h LYS 79 N -0.45 -0.06 -0.61 5.26 3.64 -1.97 -1.68 116.57 120.70 1vj6 h LYS 79 Ca 0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1vj6 h LYS 79 Cb 0.55 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1vj6 h LYS 79 CO -0.29 0.08 0.25 0.37 -2.27 0.00 0.00 179.45 177.59 1vj6 h GLN 80 N -0.19 0.90 -0.63 1.90 -0.00 -1.94 -2.61 115.11 112.54 1vj6 h GLN 80 Ca -0.01 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.65 58.44 1vj6 h GLN 80 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 1vj6 h GLN 80 CO 0.01 0.76 0.21 0.00 0.00 0.00 0.00 178.83 179.80 1vj6 h ALA 81 N 1.10 1.17 0.25 3.38 0.00 -0.84 -1.77 119.26 122.55 1vj6 h ALA 81 Ca 0.20 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1vj6 h ALA 81 Cb 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1vj6 h ALA 81 CO -0.02 0.58 -0.36 0.28 0.00 0.00 0.00 179.25 179.73 1vj6 h VAL 82 N 0.93 0.25 0.00 0.00 2.07 -0.99 -2.24 116.25 116.28 1vj6 h VAL 82 Ca 0.21 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.66 1vj6 h VAL 82 Cb 0.25 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1vj6 h VAL 82 CO -0.01 0.00 -0.35 -0.33 0.02 0.00 0.00 177.57 176.90 1vj6 h GLU 83 N -0.67 0.00 0.00 1.57 5.08 -1.37 0.32 114.58 119.51 1vj6 h GLU 83 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1vj6 h GLU 83 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1vj6 h GLU 83 CO -0.13 0.35 -0.19 1.15 -1.00 0.00 0.00 179.01 179.18 1vj6 h THR 84 N 0.00 0.80 0.05 1.13 2.02 -1.15 -0.16 112.91 115.59 1vj6 h THR 84 Ca -0.00 -0.75 -0.28 0.00 0.77 0.00 0.00 66.41 66.14 1vj6 h THR 84 Cb 0.74 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 1vj6 h THR 84 CO 0.05 0.19 -1.52 -0.07 0.37 0.00 0.00 175.52 174.53 1vj6 h LEU 85 N 0.00 0.15 -0.11 2.58 3.38 -0.80 -3.44 115.31 117.07 1vj6 h LEU 85 Ca -0.00 -0.66 -0.08 0.00 0.09 0.00 0.00 57.88 57.22 1vj6 h LEU 85 Cb 0.44 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1vj6 h LEU 85 CO 0.02 1.62 -0.25 0.08 0.09 0.00 0.00 178.44 180.01 1vj6 h ARG 86 N -0.62 0.37 -1.69 1.13 -0.00 -0.20 -3.32 114.38 110.06 1vj6 h ARG 86 Ca -0.38 -0.25 -0.53 0.00 -0.00 0.00 0.00 59.98 58.83 1vj6 h ARG 86 Cb 1.57 0.03 -0.20 0.00 -0.00 0.00 0.00 29.97 31.37 1vj6 h ARG 86 CO -0.10 0.85 0.61 -1.71 -0.00 0.00 0.00 179.97 179.61 1vj6 n ASN 87 N -4.46 6.89 -4.95 0.08 5.15 -0.09 -4.85 115.26 113.03 1vj6 n ASN 87 Ca -0.07 -3.39 -0.24 0.00 -0.60 0.00 0.00 54.58 50.28 1vj6 n ASN 87 Cb 0.45 -1.11 -0.02 0.00 -0.53 0.00 0.00 39.78 38.56 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 -3.23 5.23 0.01 -0.44 -4.23 -1.25 -4.97 115.64 106.77 1vj6 s THR 88 Ca 0.51 -0.65 -0.19 0.00 -1.18 0.00 0.00 61.69 60.18 1vj6 s THR 88 Cb 0.38 -3.80 -0.10 0.00 1.34 0.00 0.00 72.50 70.32 1vj6 s THR 88 CO -0.16 -0.27 1.05 1.23 -0.54 0.00 0.00 174.62 175.94 1vj6 h GLY 89 N 1.57 -0.71 0.00 3.99 0.00 -1.93 -3.48 103.07 102.51 1vj6 h GLY 89 Ca -0.50 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1vj6 h GLY 89 CO 0.65 -0.26 0.00 -0.18 0.00 0.00 0.00 176.54 176.75 1vj6 n GLN 90 N -4.25 0.00 -2.53 4.80 -0.06 -1.26 -5.07 117.38 109.01 1vj6 n GLN 90 Ca -0.08 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.49 1vj6 n GLN 90 Cb 0.27 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.42 1vj6 n GLN 90 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1vj6 s VAL 91 N -2.00 4.41 -0.37 1.69 1.01 -1.26 -3.63 120.40 120.25 1vj6 s VAL 91 Ca 0.00 1.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 1vj6 s VAL 91 Cb 0.00 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1vj6 s VAL 91 CO 0.00 -0.02 0.14 -0.69 0.00 0.00 0.00 175.10 174.53 1vj6 s VAL 92 N 2.29 3.39 -0.59 2.92 1.01 0.55 -4.85 120.40 125.11 1vj6 s VAL 92 Ca 0.53 -1.65 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1vj6 s VAL 92 Cb -0.22 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1vj6 s VAL 92 CO 0.20 -0.43 1.31 -1.00 0.00 0.00 0.00 175.10 175.17 1vj6 s HIS 93 N 1.24 2.42 -0.49 5.22 3.76 -1.26 -2.05 115.29 124.13 1vj6 s HIS 93 Ca 0.02 0.38 -0.21 0.00 -0.15 0.00 0.00 55.06 55.10 1vj6 s HIS 93 Cb -0.21 -4.48 0.04 0.00 1.11 0.00 0.00 32.58 29.04 1vj6 s HIS 93 CO -0.02 -1.83 0.73 -0.51 -0.85 0.00 0.00 174.74 172.27 1vj6 s LEU 94 N 5.57 4.53 -0.78 0.89 1.43 0.18 -0.91 118.68 129.59 1vj6 s LEU 94 Ca 0.46 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.83 1vj6 s LEU 94 Cb -0.09 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.53 1vj6 s LEU 94 CO 0.24 -0.95 1.08 -0.22 0.23 0.00 0.00 176.35 176.73 1vj6 s LEU 95 N 3.10 4.45 -0.06 1.79 0.20 0.50 -1.33 118.68 127.32 1vj6 s LEU 95 Ca 0.23 -1.34 -0.03 0.00 0.69 0.00 0.00 54.13 53.68 1vj6 s LEU 95 Cb -0.15 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 1vj6 s LEU 95 CO 0.17 -1.35 0.11 -0.76 -0.29 0.00 0.00 176.35 174.23 1vj6 s LEU 96 N 3.80 4.13 -0.07 -0.68 1.43 -0.68 -0.49 118.68 126.13 1vj6 s LEU 96 Ca 0.28 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1vj6 s LEU 96 Cb -0.11 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1vj6 s LEU 96 CO 0.02 0.33 -0.16 -0.70 0.23 0.00 0.00 176.35 176.08 1vj6 s GLU 97 N -1.41 2.74 -0.05 1.70 2.12 0.67 -0.64 118.70 123.83 1vj6 s GLU 97 Ca 0.20 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 1vj6 s GLU 97 Cb -0.12 -2.41 -0.07 0.00 0.26 0.00 0.00 34.13 31.79 1vj6 s GLU 97 CO 0.10 0.48 1.91 0.21 -0.54 0.00 0.00 175.26 177.41 1vj6 s LYS 98 N -0.35 3.95 -1.22 4.30 2.47 -0.05 -1.78 119.74 127.05 1vj6 s LYS 98 Ca 0.03 2.34 -0.04 0.00 -1.56 0.00 0.00 55.97 56.73 1vj6 s LYS 98 Cb -0.12 -4.15 0.19 0.00 -1.46 0.00 0.00 37.83 32.29 1vj6 s LYS 98 CO 0.02 -1.15 2.13 0.41 0.16 0.00 0.00 175.35 176.92 1vj6 n GLY 99 N 4.67 5.43 3.48 5.54 0.00 -1.17 -3.62 105.19 119.51 1vj6 n GLY 99 Ca 0.21 -2.24 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 1vj6 n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vj6 s GLN 100 N -1.99 1.72 0.30 1.61 -0.21 -1.26 -4.77 119.66 115.06 1vj6 s GLN 100 Ca 0.47 -1.33 -0.14 0.00 0.02 0.00 0.00 55.36 54.39 1vj6 s GLN 100 Cb 0.17 -2.02 -0.09 0.00 1.00 0.00 0.00 33.01 32.08 1vj6 s GLN 100 CO -0.08 0.44 0.70 0.14 -2.12 0.00 0.00 175.29 174.37 1vj6 s VAL 101 N -1.42 4.73 -2.00 1.09 -7.23 -1.26 -4.48 120.40 109.82 1vj6 s VAL 101 Ca 0.20 0.86 0.12 0.00 -1.81 0.00 0.00 61.98 61.35 1vj6 s VAL 101 Cb -0.09 -3.61 0.33 0.00 0.56 0.00 0.00 36.38 33.57 1vj6 s VAL 101 CO 0.11 -0.16 1.13 -2.65 -0.31 0.00 0.00 175.10 173.22