#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 2.84 -0.14 0.03 1.02 -1.26 -5.06 119.74 117.17 1vj6 s LYS 9 Ca 0.00 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 1vj6 s LYS 9 Cb 0.00 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1vj6 s LYS 9 CO 0.00 -0.63 1.42 -1.25 -0.92 0.00 0.00 175.35 173.98 1vj6 s PRO 10 N 1.50 4.17 0.00 -1.68 0.04 -1.26 -2.31 135.00 135.47 1vj6 s PRO 10 Ca 0.01 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1vj6 s PRO 10 Cb -0.19 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1vj6 s PRO 10 CO 0.05 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1vj6 n GLY 11 N 3.89 0.62 3.69 0.56 0.00 -1.26 -5.04 105.19 107.66 1vj6 n GLY 11 Ca 0.15 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.42 7.05 -0.14 1.61 2.15 -0.98 -4.82 116.67 119.13 1vj6 s ASP 12 Ca 0.00 1.88 -0.15 0.00 0.43 0.00 0.00 52.55 54.71 1vj6 s ASP 12 Cb 0.00 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1vj6 s ASP 12 CO 0.00 -0.55 0.36 0.42 -0.17 0.00 0.00 175.17 175.22 1vj6 s THR 13 N 1.90 5.26 -0.26 1.71 -4.23 -1.26 -0.99 115.64 117.77 1vj6 s THR 13 Ca 0.57 0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 61.76 1vj6 s THR 13 Cb -0.26 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 69.91 1vj6 s THR 13 CO 0.24 0.37 -0.04 0.72 -0.54 0.00 0.00 174.62 175.37 1vj6 s PHE 14 N 0.47 3.12 -1.15 3.99 -0.71 0.17 -4.98 117.98 118.89 1vj6 s PHE 14 Ca 0.20 -1.63 -0.14 0.00 -1.04 0.00 0.00 56.93 54.32 1vj6 s PHE 14 Cb -0.14 -2.07 0.18 0.00 -1.21 0.00 0.00 43.02 39.78 1vj6 s PHE 14 CO 0.06 -0.75 1.33 -1.21 -1.34 0.00 0.00 175.22 173.32 1vj6 s GLU 15 N 1.31 4.02 0.26 1.99 2.02 -1.26 -1.39 118.70 125.65 1vj6 s GLU 15 Ca -0.01 -2.55 -0.24 0.00 0.02 0.00 0.00 54.97 52.19 1vj6 s GLU 15 Cb -0.17 -4.96 -0.09 0.00 0.10 0.00 0.00 34.13 29.01 1vj6 s GLU 15 CO -0.03 -1.69 0.84 0.08 0.02 0.00 0.00 175.26 174.48 1vj6 s VAL 16 N 1.32 4.36 -0.10 2.63 1.01 -0.40 -4.90 120.40 124.31 1vj6 s VAL 16 Ca 0.39 1.62 0.03 0.00 0.00 0.00 0.00 61.98 64.03 1vj6 s VAL 16 Cb -0.04 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1vj6 s VAL 16 CO -0.03 0.24 -0.21 -1.83 0.00 0.00 0.00 175.10 173.27 1vj6 s GLU 17 N -1.85 3.09 0.21 2.72 4.04 -1.26 0.36 118.70 126.01 1vj6 s GLU 17 Ca 0.45 -0.83 0.10 0.00 0.04 0.00 0.00 54.97 54.72 1vj6 s GLU 17 Cb -0.19 -2.37 -0.05 0.00 0.02 0.00 0.00 34.13 31.55 1vj6 s GLU 17 CO 0.24 0.21 -0.18 -0.51 -1.84 0.00 0.00 175.26 173.17 1vj6 s LEU 18 N 0.29 2.51 -0.34 1.83 1.43 0.27 -4.96 118.68 119.72 1vj6 s LEU 18 Ca -0.16 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 51.98 1vj6 s LEU 18 Cb -0.17 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.23 1vj6 s LEU 18 CO 0.08 -0.03 0.07 0.00 0.23 0.00 0.00 176.35 176.69 1vj6 s ALA 19 N -2.37 2.93 0.24 4.21 0.00 -1.26 -0.25 121.76 125.26 1vj6 s ALA 19 Ca 0.22 -2.09 -0.31 0.00 0.00 0.00 0.00 51.96 49.78 1vj6 s ALA 19 Cb -0.04 -2.09 -0.13 0.00 0.00 0.00 0.00 23.12 20.85 1vj6 s ALA 19 CO 0.09 -1.48 1.38 0.36 0.00 0.00 0.00 175.76 176.11 1vj6 n LYS 20 N 4.57 1.98 -3.50 0.00 2.85 -1.16 -4.78 118.16 118.12 1vj6 n LYS 20 Ca -0.08 0.70 -0.42 0.00 -1.05 0.00 0.00 58.31 57.46 1vj6 n LYS 20 Cb 0.43 -2.34 -0.10 0.00 -0.65 0.00 0.00 35.03 32.36 1vj6 n LYS 20 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1vj6 s THR 21 N -0.14 4.96 -1.53 0.58 -1.32 0.04 -4.33 115.64 113.91 1vj6 s THR 21 Ca 0.68 -0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 60.27 1vj6 s THR 21 Cb -0.66 -3.83 0.02 0.00 -1.51 0.00 0.00 72.50 66.52 1vj6 s THR 21 CO 0.51 -0.36 0.19 0.47 -2.21 0.00 0.00 174.62 173.21 1vj6 n ASP 22 N 5.10 0.28 -1.65 8.08 8.00 -1.26 -2.68 116.55 132.42 1vj6 n ASP 22 Ca -0.11 -1.19 -0.06 0.00 0.71 0.00 0.00 54.79 54.14 1vj6 n ASP 22 Cb 0.46 -2.08 0.03 0.00 -0.02 0.00 0.00 41.12 39.51 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 -2.28 0.31 3.50 0.44 0.00 -1.26 -5.06 105.19 100.84 1vj6 n GLY 23 Ca -0.29 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.29 -1.15 0.17 1.61 1.04 -1.09 -4.99 113.70 105.99 1vj6 s SER 24 Ca 0.08 1.32 -0.04 0.00 0.48 0.00 0.00 55.95 57.79 1vj6 s SER 24 Cb -0.03 2.21 0.03 0.00 0.10 0.00 0.00 66.02 68.32 1vj6 s SER 24 CO 0.23 -0.22 1.42 -0.07 0.98 0.00 0.00 173.24 175.59 1vj6 h LEU 25 N 7.96 0.58 0.00 2.42 3.38 -1.91 0.16 115.31 127.91 1vj6 h LEU 25 Ca -0.19 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1vj6 h LEU 25 Cb 1.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1vj6 h LEU 25 CO 0.13 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.39 1vj6 n GLY 26 N 0.53 1.50 3.10 0.83 0.00 -1.26 -0.37 105.19 109.52 1vj6 n GLY 26 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 1.26 -0.42 -0.61 -4.36 -1.26 -2.49 121.20 111.32 1vj6 s ILE 27 Ca 0.00 -0.62 -0.29 0.00 -0.26 0.00 0.00 60.65 59.48 1vj6 s ILE 27 Cb 0.00 -1.09 0.02 0.00 1.25 0.00 0.00 42.46 42.64 1vj6 s ILE 27 CO 0.00 0.37 1.18 -0.44 0.24 0.00 0.00 174.94 176.28 1vj6 s SER 28 N 0.09 6.67 -0.00 4.36 0.01 -0.84 -5.00 113.70 118.99 1vj6 s SER 28 Ca -0.04 0.72 -0.26 0.00 1.31 0.00 0.00 55.95 57.68 1vj6 s SER 28 Cb -0.11 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1vj6 s SER 28 CO 0.02 -1.18 0.81 0.68 0.41 0.00 0.00 173.24 173.98 1vj6 s VAL 29 N 4.39 4.87 0.33 3.43 -7.23 -1.26 -0.27 120.40 124.66 1vj6 s VAL 29 Ca 0.50 1.70 0.03 0.00 -1.81 0.00 0.00 61.98 62.40 1vj6 s VAL 29 Cb -0.10 -4.15 -0.04 0.00 0.56 0.00 0.00 36.38 32.64 1vj6 s VAL 29 CO 0.27 0.27 0.13 0.28 -0.31 0.00 0.00 175.10 175.74 1vj6 s THR 30 N 0.55 0.57 -0.77 5.32 -1.32 -0.12 -4.84 115.64 115.01 1vj6 s THR 30 Ca 0.42 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.88 1vj6 s THR 30 Cb -0.20 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 1vj6 s THR 30 CO 0.23 0.00 0.66 0.61 -2.21 0.00 0.00 174.62 173.91 1vj6 n GLY 31 N -0.67 -0.00 3.92 6.08 0.00 -1.26 -0.52 105.19 112.73 1vj6 n GLY 31 Ca -0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1vj6 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vj6 s GLY 32 N -3.52 1.65 0.63 -0.02 0.00 -1.26 -4.07 107.32 100.73 1vj6 s GLY 32 Ca 0.17 -0.82 0.33 0.00 0.00 0.00 0.00 44.72 44.41 1vj6 s GLY 32 CO 0.44 -0.39 2.02 -0.39 0.00 0.00 0.00 173.10 174.78 1vj6 h VAL 33 N -0.75 0.00 -0.05 1.40 -1.51 -1.15 -3.35 116.25 110.84 1vj6 h VAL 33 Ca -0.45 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.04 1vj6 h VAL 33 Cb 1.32 0.74 -0.03 0.00 -2.13 0.00 0.00 31.29 31.19 1vj6 h VAL 33 CO 0.62 0.00 -0.29 -0.55 -1.23 0.00 0.00 177.57 176.13 1vj6 h ASN 34 N 0.00 -0.90 0.00 4.19 -1.07 -1.92 -3.26 115.58 112.62 1vj6 h ASN 34 Ca 0.00 0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.48 1vj6 h ASN 34 Cb 0.41 0.35 0.00 0.00 -2.07 0.00 0.00 38.32 37.01 1vj6 h ASN 34 CO 0.00 -0.26 0.00 0.35 0.07 0.00 0.00 177.43 177.59 1vj6 n THR 35 N -4.07 0.00 -0.32 6.14 -2.24 -1.26 -4.85 114.28 107.70 1vj6 n THR 35 Ca -0.03 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1vj6 n THR 35 Cb 0.20 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.58 1vj6 n THR 35 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vj6 h SER 36 N 0.00 -0.73 0.03 3.42 0.02 -1.88 -2.02 113.55 112.39 1vj6 h SER 36 Ca 0.00 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1vj6 h SER 36 Cb 0.00 0.52 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1vj6 h SER 36 CO 0.00 -0.29 -0.08 1.33 -1.14 0.00 0.00 176.83 176.65 1vj6 n VAL 37 N -5.54 0.00 -3.10 2.27 0.24 -1.26 -4.93 118.33 106.01 1vj6 n VAL 37 Ca 0.15 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1vj6 n VAL 37 Cb 0.50 0.70 0.07 0.00 -1.47 0.00 0.00 33.84 33.64 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 0.21 -5.10 -0.58 7.34 0.63 -0.76 -4.71 116.66 113.69 1vj6 n ARG 38 Ca 0.16 0.65 0.07 0.00 -0.92 0.00 0.00 57.85 57.82 1vj6 n ARG 38 Cb 0.40 -5.09 -0.03 0.00 0.45 0.00 0.00 32.46 28.19 1vj6 n ARG 38 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1vj6 n HIS 39 N -3.41 -1.55 0.00 -0.14 8.25 -1.23 -5.10 115.22 112.04 1vj6 n HIS 39 Ca -0.22 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 1vj6 n HIS 39 Cb 0.63 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 30.33 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 -3.09 -1.73 0.00 -1.41 0.00 -1.26 -4.83 105.19 92.87 1vj6 n GLY 40 Ca -0.03 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.41 3.23 -0.02 0.00 -1.26 -4.76 105.19 101.97 1vj6 n GLY 41 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.12 0.14 -0.61 1.10 -0.94 -3.95 121.20 117.06 1vj6 s ILE 42 Ca 0.00 -1.38 -0.02 0.00 -0.51 0.00 0.00 60.65 58.74 1vj6 s ILE 42 Cb 0.00 -1.58 -0.04 0.00 0.15 0.00 0.00 42.46 40.99 1vj6 s ILE 42 CO 0.00 -0.56 0.09 -0.31 -2.11 0.00 0.00 174.94 172.05 1vj6 s TYR 43 N -3.92 0.82 0.19 3.50 1.51 0.32 -0.24 117.35 119.54 1vj6 s TYR 43 Ca 0.11 -1.19 -0.30 0.00 -1.01 0.00 0.00 57.07 54.68 1vj6 s TYR 43 Cb 0.05 -0.43 -0.08 0.00 -0.11 0.00 0.00 41.96 41.39 1vj6 s TYR 43 CO -0.06 -0.55 0.93 0.08 -1.11 0.00 0.00 175.55 174.84 1vj6 s VAL 44 N -4.05 4.23 -0.18 0.71 1.01 -1.26 -0.95 120.40 119.91 1vj6 s VAL 44 Ca 0.24 2.06 -0.15 0.00 0.00 0.00 0.00 61.98 64.13 1vj6 s VAL 44 Cb 0.07 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1vj6 s VAL 44 CO 0.02 0.44 -0.22 1.17 0.00 0.00 0.00 175.10 176.51 1vj6 n LYS 45 N 1.93 0.51 -4.92 2.72 0.00 0.63 -4.27 118.16 114.77 1vj6 n LYS 45 Ca -0.01 0.38 -0.27 0.00 0.00 0.00 0.00 58.31 58.41 1vj6 n LYS 45 Cb 0.48 -1.57 -0.16 0.00 0.00 0.00 0.00 35.03 33.77 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 -2.73 1.66 -0.09 3.14 0.00 -1.24 -4.78 121.76 117.72 1vj6 s ALA 46 Ca -0.25 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 1vj6 s ALA 46 Cb 0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1vj6 s ALA 46 CO 0.38 0.29 0.41 0.42 0.00 0.00 0.00 175.76 177.27 1vj6 s ILE 47 N 0.05 5.16 0.13 0.00 -1.09 -1.26 -1.98 121.20 122.22 1vj6 s ILE 47 Ca -0.05 0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 59.10 1vj6 s ILE 47 Cb -0.12 -3.74 -0.06 0.00 -1.58 0.00 0.00 42.46 36.96 1vj6 s ILE 47 CO 0.03 0.43 0.45 0.27 -1.23 0.00 0.00 174.94 174.88 1vj6 s ILE 48 N 0.00 5.04 -0.32 2.92 -4.36 -1.04 -5.03 121.20 118.41 1vj6 s ILE 48 Ca 0.23 0.41 -0.29 0.00 -0.26 0.00 0.00 60.65 60.74 1vj6 s ILE 48 Cb -0.15 -3.65 -0.01 0.00 1.25 0.00 0.00 42.46 39.90 1vj6 s ILE 48 CO 0.10 0.15 1.57 -2.16 0.24 0.00 0.00 174.94 174.84 1vj6 s PRO 49 N -2.28 3.59 -0.55 0.37 0.04 -1.26 -4.02 135.00 130.89 1vj6 s PRO 49 Ca 0.38 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 1vj6 s PRO 49 Cb -0.13 -4.07 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1vj6 s PRO 49 CO 0.20 -1.54 0.50 1.63 0.04 0.00 0.00 177.00 177.83 1vj6 n LYS 50 N 8.00 -1.12 0.00 4.56 5.02 -1.26 -5.06 118.16 128.30 1vj6 n LYS 50 Ca 0.19 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1vj6 n LYS 50 Cb 0.47 -4.09 0.00 0.00 -0.02 0.00 0.00 35.03 31.39 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vj6 n GLY 51 N -1.39 -0.10 0.00 0.72 0.00 -1.26 -5.06 105.19 98.10 1vj6 n GLY 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.86 -0.04 4.61 0.00 0.50 -4.89 120.51 119.55 1vj6 n ALA 52 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1vj6 n ALA 52 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 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 0.30 -0.90 0.00 0.00 -1.16 -2.81 119.26 114.69 1vj6 h ALA 53 Ca 0.00 -0.51 0.16 0.00 0.00 0.00 0.00 54.91 54.56 1vj6 h ALA 53 Cb 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1vj6 h ALA 53 CO 0.00 0.51 0.58 1.49 0.00 0.00 0.00 179.25 181.83 1vj6 h GLU 54 N 0.36 0.61 0.00 0.00 4.81 -1.82 -2.01 114.58 116.52 1vj6 h GLU 54 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1vj6 h GLU 54 Cb 1.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1vj6 h GLU 54 CO 0.12 0.40 0.00 0.43 -0.73 0.00 0.00 179.01 179.23 1vj6 n SER 55 N -4.56 0.00 0.00 1.04 7.64 -1.06 -2.37 113.62 114.31 1vj6 n SER 55 Ca 0.18 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1vj6 n SER 55 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1vj6 n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vj6 n ASP 56 N -0.68 0.00 0.00 6.43 2.03 -0.76 -5.04 116.55 118.54 1vj6 n ASP 56 Ca 0.06 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1vj6 n ASP 56 Cb 0.03 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.58 1.68 0.12 0.27 0.00 -1.00 -4.95 105.19 102.89 1vj6 n GLY 57 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.61 1.61 3.08 -1.88 -3.45 114.38 107.14 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 0.04 0.00 0.08 0.00 0.00 29.97 30.09 1vj6 h ARG 58 CO 0.00 0.05 0.80 0.42 -1.07 0.00 0.00 179.97 180.16 1vj6 s ILE 59 N -3.29 2.90 0.26 2.04 1.01 -1.26 -4.97 121.20 117.89 1vj6 s ILE 59 Ca -0.00 0.67 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 1vj6 s ILE 59 Cb 0.09 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 39.14 1vj6 s ILE 59 CO 0.78 0.06 0.58 -2.28 0.00 0.00 0.00 174.94 174.08 1vj6 s HIS 60 N 0.92 0.12 -1.35 3.97 2.46 -1.26 -4.78 115.29 115.37 1vj6 s HIS 60 Ca 0.66 -0.52 -0.17 0.00 0.47 0.00 0.00 55.06 55.50 1vj6 s HIS 60 Cb -0.41 0.41 0.06 0.00 -0.13 0.00 0.00 32.58 32.52 1vj6 s HIS 60 CO 0.33 -1.09 1.88 1.63 -2.47 0.00 0.00 174.74 175.02 1vj6 n LYS 61 N -0.41 3.10 0.00 2.88 5.02 -1.26 -3.79 118.16 123.70 1vj6 n LYS 61 Ca -0.03 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 1vj6 n LYS 61 Cb 0.61 -3.44 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 5.01 -0.44 0.00 0.72 0.00 -1.26 -5.03 105.19 104.19 1vj6 n GLY 62 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1vj6 n GLY 62 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vj6 n ASP 63 N 0.00 0.00 -3.65 1.61 5.75 -1.25 -4.05 116.55 114.96 1vj6 n ASP 63 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1vj6 n ASP 63 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1vj6 n ASP 63 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1vj6 s ARG 64 N 3.00 0.59 -0.21 0.11 3.00 -1.01 -4.32 118.95 120.11 1vj6 s ARG 64 Ca 0.00 1.43 -0.21 0.00 -1.00 0.00 0.00 55.73 55.95 1vj6 s ARG 64 Cb 0.00 0.80 -0.02 0.00 0.00 0.00 0.00 34.95 35.73 1vj6 s ARG 64 CO 0.00 -0.19 0.66 0.08 0.00 0.00 0.00 175.30 175.85 1vj6 s VAL 65 N 2.77 4.99 -0.14 7.11 1.01 0.67 -0.14 120.40 136.67 1vj6 s VAL 65 Ca -0.06 1.24 0.12 0.00 0.00 0.00 0.00 61.98 63.28 1vj6 s VAL 65 Cb -0.11 -3.97 -0.17 0.00 0.00 0.00 0.00 36.38 32.13 1vj6 s VAL 65 CO -0.19 0.08 0.04 0.00 0.00 0.00 0.00 175.10 175.03 1vj6 n LEU 66 N 5.22 0.09 -3.62 3.92 -0.00 -0.04 -2.21 117.00 120.36 1vj6 n LEU 66 Ca -0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.89 1vj6 n LEU 66 Cb 0.49 0.32 -0.05 0.00 -0.00 0.00 0.00 43.42 44.18 1vj6 n LEU 66 CO 0.44 0.36 0.18 0.00 -0.00 0.00 0.00 177.39 178.38 1vj6 s ALA 67 N -2.34 -1.02 -0.06 1.47 0.00 -1.05 -1.72 121.76 117.04 1vj6 s ALA 67 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 1vj6 s ALA 67 Cb 0.04 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1vj6 s ALA 67 CO 0.57 -0.62 0.02 0.08 0.00 0.00 0.00 175.76 175.81 1vj6 s VAL 68 N -3.55 0.20 -1.41 0.00 1.01 0.63 -0.22 120.40 117.05 1vj6 s VAL 68 Ca 0.01 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 1vj6 s VAL 68 Cb 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1vj6 s VAL 68 CO -0.10 0.21 0.46 0.59 0.00 0.00 0.00 175.10 176.26 1vj6 n ASN 69 N 5.20 -4.96 0.00 3.32 3.02 0.45 -0.86 115.26 121.43 1vj6 n ASN 69 Ca -0.06 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 1vj6 n ASN 69 Cb 0.50 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vj6 n GLY 70 N -1.28 1.83 3.46 7.41 0.00 -1.26 -5.00 105.19 110.35 1vj6 n GLY 70 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.33 4.85 0.33 1.61 1.01 -0.04 -4.99 120.40 119.85 1vj6 s VAL 71 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 1vj6 s VAL 71 Cb 0.00 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 1vj6 s VAL 71 CO 0.00 -0.78 1.54 -0.94 0.00 0.00 0.00 175.10 174.92 1vj6 s SER 72 N 2.58 6.37 -0.01 3.32 1.04 -1.26 -0.27 113.70 125.47 1vj6 s SER 72 Ca 0.17 2.98 -0.24 0.00 0.48 0.00 0.00 55.95 59.34 1vj6 s SER 72 Cb -0.18 -2.65 -0.19 0.00 0.10 0.00 0.00 66.02 63.10 1vj6 s SER 72 CO 0.13 -0.89 1.27 -0.07 0.98 0.00 0.00 173.24 174.66 1vj6 h LEU 73 N 4.07 0.12 -1.32 2.42 3.38 -1.68 -3.47 115.31 118.83 1vj6 h LEU 73 Ca -0.49 -0.51 -0.46 0.00 0.09 0.00 0.00 57.88 56.52 1vj6 h LEU 73 Cb 1.23 -0.03 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 1vj6 h LEU 73 CO 0.73 0.61 -0.67 1.21 0.09 0.00 0.00 178.44 180.41 1vj6 n GLU 74 N -4.75 -0.82 0.00 1.13 4.07 -1.26 -0.70 120.64 118.31 1vj6 n GLU 74 Ca -0.08 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1vj6 n GLU 74 Cb 0.30 -3.27 0.00 0.00 -0.06 0.00 0.00 31.44 28.41 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 -1.13 0.74 3.73 8.31 0.00 -1.26 -5.12 105.19 110.45 1vj6 n GLY 75 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 3.49 0.32 4.61 0.00 0.12 -4.77 121.76 125.52 1vj6 s ALA 76 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.01 1vj6 s ALA 76 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.69 1vj6 s ALA 76 CO 0.00 -0.49 0.35 -2.37 0.00 0.00 0.00 175.76 173.25 1vj6 n THR 77 N 3.25 0.00 -0.15 0.00 5.66 -1.26 -0.92 114.28 120.86 1vj6 n THR 77 Ca 0.08 -1.15 -0.05 0.00 -3.05 0.00 0.00 64.05 59.88 1vj6 n THR 77 Cb 0.44 -0.50 0.01 0.00 -1.55 0.00 0.00 70.33 68.73 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 0.30 -0.69 -0.07 1.09 2.76 -1.92 0.31 115.15 116.94 1vj6 h HIS 78 Ca -0.17 0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 57.91 1vj6 h HIS 78 Cb 0.71 0.37 0.01 0.00 1.55 0.00 0.00 27.41 30.05 1vj6 h HIS 78 CO 0.00 -0.34 -0.52 -0.22 -1.30 0.00 0.00 177.93 175.55 1vj6 h LYS 79 N -0.15 0.47 -0.69 5.26 3.64 -1.98 -2.55 116.57 120.57 1vj6 h LYS 79 Ca 0.22 -0.42 0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1vj6 h LYS 79 Cb 0.50 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1vj6 h LYS 79 CO -0.58 1.06 0.41 0.37 -2.27 0.00 0.00 179.45 178.44 1vj6 h GLN 80 N 0.03 0.75 -0.85 1.90 4.15 -1.92 -2.51 115.11 116.65 1vj6 h GLN 80 Ca -0.05 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1vj6 h GLN 80 Cb 1.19 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 1vj6 h GLN 80 CO 0.11 0.49 0.47 0.00 -1.93 0.00 0.00 178.83 177.97 1vj6 h ALA 81 N 1.33 1.09 -0.75 3.38 0.00 -0.37 -1.47 119.26 122.47 1vj6 h ALA 81 Ca 0.29 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1vj6 h ALA 81 Cb 0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1vj6 h ALA 81 CO -0.15 0.59 0.45 0.28 0.00 0.00 0.00 179.25 180.43 1vj6 h VAL 82 N 1.19 1.03 -0.51 0.00 2.07 -1.15 -1.30 116.25 117.57 1vj6 h VAL 82 Ca 0.30 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1vj6 h VAL 82 Cb 0.02 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1vj6 h VAL 82 CO -0.05 0.15 0.27 -0.33 0.02 0.00 0.00 177.57 177.63 1vj6 h GLU 83 N 0.84 0.73 -0.07 1.57 5.08 -1.02 0.16 114.58 121.87 1vj6 h GLU 83 Ca 0.32 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1vj6 h GLU 83 Cb 0.14 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1vj6 h GLU 83 CO -0.16 0.58 0.07 1.15 -1.00 0.00 0.00 179.01 179.65 1vj6 h THR 84 N 0.68 0.62 0.04 1.13 2.02 -0.59 0.57 112.91 117.37 1vj6 h THR 84 Ca 0.18 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 67.06 1vj6 h THR 84 Cb 0.08 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1vj6 h THR 84 CO -0.03 0.00 -1.65 0.18 0.37 0.00 0.00 175.52 174.39 1vj6 n LEU 85 N -4.00 2.15 0.10 2.58 4.77 -0.55 -4.59 117.00 117.45 1vj6 n LEU 85 Ca -0.01 0.33 -0.15 0.00 -0.03 0.00 0.00 56.01 56.14 1vj6 n LEU 85 Cb 0.17 -1.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.13 1vj6 n LEU 85 CO 0.29 0.51 -0.01 -0.09 -1.33 0.00 0.00 177.39 176.76 1vj6 h ARG 86 N -0.63 0.28 -1.34 3.23 1.12 -0.49 -3.33 114.38 113.22 1vj6 h ARG 86 Ca -0.41 -0.45 -0.21 0.00 -1.11 0.00 0.00 59.98 57.80 1vj6 h ARG 86 Cb 1.58 0.16 -0.10 0.00 -0.01 0.00 0.00 29.97 31.60 1vj6 h ARG 86 CO -0.13 1.20 0.26 -1.71 -3.11 0.00 0.00 179.97 176.48 1vj6 n ASN 87 N -3.56 4.77 -4.06 -3.80 5.15 0.17 -4.75 115.26 109.18 1vj6 n ASN 87 Ca -0.08 -2.72 -0.14 0.00 -0.60 0.00 0.00 54.58 51.04 1vj6 n ASN 87 Cb 0.99 -0.86 0.05 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 0.32 0.00 0.00 -0.44 -2.24 -1.25 -4.99 114.28 105.68 1vj6 n THR 88 Ca 0.21 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1vj6 n THR 88 Cb 0.72 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.00 1.21 0.23 3.38 0.00 -1.26 -5.01 105.19 103.74 1vj6 n GLY 89 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 0.45 -2.66 1.61 7.27 -1.26 -4.92 117.38 117.86 1vj6 n GLN 90 Ca 0.00 0.15 -0.42 0.00 0.07 0.00 0.00 57.00 56.79 1vj6 n GLN 90 Cb 0.00 -1.29 -0.03 0.00 2.41 0.00 0.00 30.24 31.33 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 -2.37 4.72 -0.34 1.69 1.01 -1.26 -2.98 120.40 120.86 1vj6 s VAL 91 Ca -0.27 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 1vj6 s VAL 91 Cb 0.09 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1vj6 s VAL 91 CO 0.39 -0.01 0.07 -0.69 0.00 0.00 0.00 175.10 174.87 1vj6 s VAL 92 N 2.12 3.12 -0.67 2.92 1.01 0.65 -4.93 120.40 124.62 1vj6 s VAL 92 Ca 0.49 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 1vj6 s VAL 92 Cb -0.19 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.32 1vj6 s VAL 92 CO 0.18 -0.31 1.12 -2.28 0.00 0.00 0.00 175.10 173.81 1vj6 s HIS 93 N 1.22 2.52 -0.33 5.22 2.46 -1.26 -0.56 115.29 124.55 1vj6 s HIS 93 Ca -0.00 -0.13 -0.22 0.00 0.47 0.00 0.00 55.06 55.17 1vj6 s HIS 93 Cb -0.21 -4.43 0.00 0.00 -0.13 0.00 0.00 32.58 27.81 1vj6 s HIS 93 CO -0.02 -1.78 0.73 -0.51 -2.47 0.00 0.00 174.74 170.69 1vj6 s LEU 94 N 4.87 4.14 -0.66 8.88 1.43 0.16 -0.42 118.68 137.08 1vj6 s LEU 94 Ca 0.31 0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1vj6 s LEU 94 Cb -0.11 -2.96 0.08 0.00 0.03 0.00 0.00 46.19 43.23 1vj6 s LEU 94 CO 0.16 -0.62 0.91 -0.22 0.23 0.00 0.00 176.35 176.80 1vj6 s LEU 95 N 2.90 4.66 0.05 1.79 0.20 0.69 -1.28 118.68 127.68 1vj6 s LEU 95 Ca 0.29 -1.15 0.01 0.00 0.69 0.00 0.00 54.13 53.97 1vj6 s LEU 95 Cb -0.14 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 43.19 1vj6 s LEU 95 CO 0.14 -1.35 0.13 -0.76 -0.29 0.00 0.00 176.35 174.22 1vj6 s LEU 96 N 3.67 4.04 0.02 -0.68 1.43 -0.48 -0.86 118.68 125.82 1vj6 s LEU 96 Ca 0.20 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 1vj6 s LEU 96 Cb -0.18 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1vj6 s LEU 96 CO 0.08 0.20 -0.09 -0.70 0.23 0.00 0.00 176.35 176.08 1vj6 s GLU 97 N -2.24 2.43 -0.73 1.70 2.12 0.80 -0.66 118.70 122.12 1vj6 s GLU 97 Ca 0.29 -0.80 -0.27 0.00 0.36 0.00 0.00 54.97 54.56 1vj6 s GLU 97 Cb -0.12 -2.43 0.02 0.00 0.26 0.00 0.00 34.13 31.86 1vj6 s GLU 97 CO 0.22 0.58 1.39 0.21 -0.54 0.00 0.00 175.26 177.11 1vj6 s LYS 98 N -1.53 3.11 -1.47 4.30 2.47 -0.16 -2.39 119.74 124.07 1vj6 s LYS 98 Ca 0.17 -0.15 -0.10 0.00 -1.56 0.00 0.00 55.97 54.33 1vj6 s LYS 98 Cb -0.11 -4.28 0.02 0.00 -1.46 0.00 0.00 37.83 32.00 1vj6 s LYS 98 CO 0.08 -2.26 2.48 0.41 0.16 0.00 0.00 175.35 176.22 1vj6 n GLY 99 N 5.52 4.55 2.93 5.54 0.00 -1.26 -4.10 105.19 118.37 1vj6 n GLY 99 Ca 0.08 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 1.64 0.46 0.65 1.61 -1.52 -1.26 -4.78 119.66 116.47 1vj6 s GLN 100 Ca 0.56 -0.14 -0.12 0.00 -1.95 0.00 0.00 55.36 53.70 1vj6 s GLN 100 Cb 0.16 -0.47 -0.01 0.00 -0.22 0.00 0.00 33.01 32.46 1vj6 s GLN 100 CO -0.07 0.06 1.05 0.14 -0.25 0.00 0.00 175.29 176.22 1vj6 s VAL 101 N 0.15 4.10 -2.00 1.09 -7.23 -1.26 -4.66 120.40 110.59 1vj6 s VAL 101 Ca -0.01 0.76 0.06 0.00 -1.81 0.00 0.00 61.98 60.97 1vj6 s VAL 101 Cb -0.05 -3.47 0.16 0.00 0.56 0.00 0.00 36.38 33.58 1vj6 s VAL 101 CO -0.00 -0.82 0.81 -2.65 -0.31 0.00 0.00 175.10 172.13