#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vj6 n LYS 9 N 0.00 2.54 -1.80 0.03 5.02 -1.26 -5.04 118.16 117.64 1vj6 n LYS 9 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1vj6 n LYS 9 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1vj6 n LYS 9 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1vj6 s PRO 10 N 1.09 3.46 0.00 1.97 0.02 -1.26 -4.31 135.00 135.96 1vj6 s PRO 10 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1vj6 s PRO 10 Cb 0.00 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1vj6 s PRO 10 CO 0.00 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.36 1vj6 n GLY 11 N 5.29 -0.14 3.53 0.52 0.00 -1.26 -4.02 105.19 109.12 1vj6 n GLY 11 Ca 0.25 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -0.43 0.62 1.61 2.15 -1.22 -4.21 116.67 115.18 1vj6 s ASP 12 Ca 0.00 -0.23 -0.17 0.00 0.43 0.00 0.00 52.55 52.58 1vj6 s ASP 12 Cb 0.00 0.62 -0.02 0.00 -0.30 0.00 0.00 42.92 43.22 1vj6 s ASP 12 CO 0.00 -1.07 1.13 0.42 -0.17 0.00 0.00 175.17 175.49 1vj6 s THR 13 N -3.81 3.09 -0.04 1.71 -4.23 -1.26 -2.16 115.64 108.94 1vj6 s THR 13 Ca 0.05 0.59 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 1vj6 s THR 13 Cb -0.02 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.70 1vj6 s THR 13 CO -0.07 -0.24 -0.02 0.72 -0.54 0.00 0.00 174.62 174.48 1vj6 s PHE 14 N -2.04 0.51 -1.00 3.99 -0.71 -0.06 -4.91 117.98 113.77 1vj6 s PHE 14 Ca 0.71 -0.09 -0.05 0.00 -1.04 0.00 0.00 56.93 56.46 1vj6 s PHE 14 Cb -0.23 -0.54 0.25 0.00 -1.21 0.00 0.00 43.02 41.29 1vj6 s PHE 14 CO 0.36 -0.16 0.94 0.39 -1.34 0.00 0.00 175.22 175.40 1vj6 n GLU 15 N 4.16 3.06 -1.70 1.99 1.02 -1.26 -1.12 120.64 126.79 1vj6 n GLU 15 Ca -0.25 -4.47 -0.31 0.00 -0.02 0.00 0.00 57.16 52.11 1vj6 n GLU 15 Cb 0.51 -2.47 0.04 0.00 -0.02 0.00 0.00 31.44 29.49 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 -1.38 4.18 -0.08 2.62 1.01 -0.59 -4.84 120.40 121.33 1vj6 s VAL 16 Ca 0.29 0.74 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1vj6 s VAL 16 Cb -0.08 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1vj6 s VAL 16 CO -0.10 -0.89 -0.16 -0.70 0.00 0.00 0.00 175.10 173.24 1vj6 s GLU 17 N -4.96 2.16 0.28 2.72 -6.30 -1.26 -0.34 118.70 111.00 1vj6 s GLU 17 Ca 0.58 -0.57 0.06 0.00 -2.50 0.00 0.00 54.97 52.54 1vj6 s GLU 17 Cb -0.13 -1.71 -0.06 0.00 0.00 0.00 0.00 34.13 32.22 1vj6 s GLU 17 CO 0.52 0.08 -0.05 -0.51 0.02 0.00 0.00 175.26 175.32 1vj6 s LEU 18 N 0.56 2.47 -0.19 2.70 1.43 0.34 -4.97 118.68 121.02 1vj6 s LEU 18 Ca -0.16 -1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 51.74 1vj6 s LEU 18 Cb -0.17 -0.62 0.05 0.00 0.03 0.00 0.00 46.19 45.48 1vj6 s LEU 18 CO 0.05 -0.35 -0.04 0.00 0.23 0.00 0.00 176.35 176.24 1vj6 s ALA 19 N -3.03 1.52 0.48 4.21 0.00 -1.26 -1.31 121.76 122.37 1vj6 s ALA 19 Ca 0.30 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 1vj6 s ALA 19 Cb 0.04 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 1vj6 s ALA 19 CO 0.12 -0.96 1.20 0.36 0.00 0.00 0.00 175.76 176.48 1vj6 n LYS 20 N 4.85 1.62 -3.92 0.00 2.85 -1.24 -4.78 118.16 117.54 1vj6 n LYS 20 Ca -0.11 0.59 -0.35 0.00 -1.05 0.00 0.00 58.31 57.38 1vj6 n LYS 20 Cb 0.47 -2.34 -0.14 0.00 -0.65 0.00 0.00 35.03 32.37 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 -1.28 3.20 -1.20 0.58 -1.32 0.03 -4.61 115.64 111.03 1vj6 s THR 21 Ca 0.66 -0.71 -0.05 0.00 -1.21 0.00 0.00 61.69 60.38 1vj6 s THR 21 Cb -0.48 -2.52 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 1vj6 s THR 21 CO 0.54 0.32 0.09 -0.67 -2.21 0.00 0.00 174.62 172.70 1vj6 n ASP 22 N 4.75 0.07 -1.82 8.08 2.03 -1.26 -2.43 116.55 125.97 1vj6 n ASP 22 Ca -0.17 -1.03 -0.07 0.00 0.52 0.00 0.00 54.79 54.04 1vj6 n ASP 22 Cb 0.49 -1.27 0.03 0.00 -0.72 0.00 0.00 41.12 39.65 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 -2.21 0.21 3.17 0.27 0.00 -1.26 -5.04 105.19 100.33 1vj6 n GLY 23 Ca -0.23 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1vj6 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vj6 s SER 24 N -3.41 -0.51 0.07 1.61 0.15 -1.02 -5.00 113.70 105.58 1vj6 s SER 24 Ca 0.04 0.36 -0.18 0.00 0.70 0.00 0.00 55.95 56.87 1vj6 s SER 24 Cb -0.02 1.45 -0.10 0.00 -1.71 0.00 0.00 66.02 65.64 1vj6 s SER 24 CO 0.26 -0.10 1.43 -0.07 1.20 0.00 0.00 173.24 175.97 1vj6 h LEU 25 N 7.92 0.49 0.00 3.45 3.38 -1.91 0.13 115.31 128.77 1vj6 h LEU 25 Ca -0.14 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1vj6 h LEU 25 Cb 1.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1vj6 h LEU 25 CO -0.05 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1vj6 n GLY 26 N -0.03 0.82 3.24 0.83 0.00 -1.26 -0.04 105.19 108.74 1vj6 n GLY 26 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.47 1.88 -0.37 -0.61 -4.36 -1.26 -1.48 121.20 113.54 1vj6 s ILE 27 Ca 0.00 -0.98 -0.25 0.00 -0.26 0.00 0.00 60.65 59.17 1vj6 s ILE 27 Cb 0.00 -1.59 0.01 0.00 1.25 0.00 0.00 42.46 42.13 1vj6 s ILE 27 CO 0.00 0.53 0.86 -0.44 0.24 0.00 0.00 174.94 176.13 1vj6 s SER 28 N -0.16 6.61 0.13 4.36 0.01 -0.05 -5.01 113.70 119.59 1vj6 s SER 28 Ca -0.02 0.46 -0.27 0.00 1.31 0.00 0.00 55.95 57.43 1vj6 s SER 28 Cb -0.13 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1vj6 s SER 28 CO 0.03 -0.80 0.83 0.68 0.41 0.00 0.00 173.24 174.38 1vj6 s VAL 29 N 3.31 4.47 0.27 3.43 -7.23 -1.26 -0.61 120.40 122.78 1vj6 s VAL 29 Ca 0.35 1.80 0.05 0.00 -1.81 0.00 0.00 61.98 62.37 1vj6 s VAL 29 Cb -0.12 -4.19 -0.06 0.00 0.56 0.00 0.00 36.38 32.57 1vj6 s VAL 29 CO 0.18 0.43 -0.02 0.28 -0.31 0.00 0.00 175.10 175.66 1vj6 s THR 30 N -0.58 1.36 0.00 5.32 -1.32 -0.12 -4.80 115.64 115.51 1vj6 s THR 30 Ca 0.39 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1vj6 s THR 30 Cb -0.23 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 1vj6 s THR 30 CO 0.27 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1vj6 n GLY 31 N -0.54 0.05 0.00 6.08 0.00 -1.26 -1.86 105.19 107.67 1vj6 n GLY 31 Ca -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 2.75 0.30 -0.02 0.00 -1.26 -4.22 105.19 102.75 1vj6 n GLY 32 Ca 0.00 -2.08 0.18 0.00 0.00 0.00 0.00 46.02 44.12 1vj6 n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1vj6 h VAL 33 N 0.08 0.19 0.00 1.61 3.04 -1.12 -1.65 116.25 118.41 1vj6 h VAL 33 Ca 0.00 -0.27 -0.11 0.00 -1.01 0.00 0.00 66.70 65.31 1vj6 h VAL 33 Cb 0.00 1.22 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 1vj6 h VAL 33 CO 0.00 0.03 -0.52 -0.55 -1.01 0.00 0.00 177.57 175.52 1vj6 h ASN 34 N 0.00 0.00 -2.68 3.17 -1.07 -1.88 -3.30 115.58 109.83 1vj6 h ASN 34 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.74 1vj6 h ASN 34 Cb 0.21 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.06 1vj6 h ASN 34 CO 0.00 0.52 -0.43 0.41 0.07 0.00 0.00 177.43 178.01 1vj6 n THR 35 N -3.80 2.42 -0.34 6.14 -1.04 -0.62 -5.03 114.28 112.00 1vj6 n THR 35 Ca -0.01 -5.15 -0.14 0.00 -2.04 0.00 0.00 64.05 56.71 1vj6 n THR 35 Cb 0.55 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.87 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1vj6 n SER 36 N 1.42 0.15 0.00 8.00 7.64 -1.24 -4.30 113.62 125.29 1vj6 n SER 36 Ca 0.25 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1vj6 n SER 36 Cb 0.38 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1vj6 n VAL 37 N 1.73 0.00 0.00 0.44 0.24 -1.26 -5.02 118.33 114.47 1vj6 n VAL 37 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1vj6 n VAL 37 Cb -0.00 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 0.00 -4.64 7.34 0.63 -1.26 -5.06 116.66 113.67 1vj6 n ARG 38 Ca 0.00 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.69 1vj6 n ARG 38 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1vj6 n ARG 38 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1vj6 s HIS 39 N -0.04 1.67 0.00 -0.14 5.04 -1.26 -5.05 115.29 115.50 1vj6 s HIS 39 Ca 0.00 -0.36 0.00 0.00 -1.54 0.00 0.00 55.06 53.16 1vj6 s HIS 39 Cb 0.00 -1.01 0.00 0.00 0.04 0.00 0.00 32.58 31.61 1vj6 s HIS 39 CO 0.00 0.06 0.00 0.41 -2.34 0.00 0.00 174.74 172.87 1vj6 n GLY 40 N 2.02 0.00 1.73 1.59 0.00 -1.26 -4.86 105.19 104.41 1vj6 n GLY 40 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.99 3.97 -0.02 0.00 -1.18 -3.50 105.19 103.46 1vj6 n GLY 41 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.58 3.30 0.09 -0.61 1.10 -0.27 -4.46 121.20 119.77 1vj6 s ILE 42 Ca 0.32 -0.64 0.01 0.00 -0.51 0.00 0.00 60.65 59.84 1vj6 s ILE 42 Cb -0.45 -3.22 -0.04 0.00 0.15 0.00 0.00 42.46 38.91 1vj6 s ILE 42 CO 0.29 -0.14 -0.06 -0.31 -2.11 0.00 0.00 174.94 172.61 1vj6 s TYR 43 N -2.62 0.81 -0.11 3.50 1.51 -0.77 -0.18 117.35 119.48 1vj6 s TYR 43 Ca 0.53 -0.88 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1vj6 s TYR 43 Cb -0.10 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1vj6 s TYR 43 CO 0.37 -0.17 0.58 0.08 -1.11 0.00 0.00 175.55 175.31 1vj6 s VAL 44 N -3.39 5.11 -0.09 0.71 1.01 -0.60 -0.94 120.40 122.20 1vj6 s VAL 44 Ca 0.09 1.17 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 1vj6 s VAL 44 Cb 0.04 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1vj6 s VAL 44 CO -0.05 0.26 -0.10 0.50 0.00 0.00 0.00 175.10 175.71 1vj6 h LYS 45 N 6.87 0.00 -5.47 2.72 1.63 -1.17 -2.33 116.57 118.82 1vj6 h LYS 45 Ca -0.39 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 58.79 1vj6 h LYS 45 Cb 1.18 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 32.49 1vj6 h LYS 45 CO 0.76 0.00 -0.86 0.00 -3.45 0.00 0.00 179.45 175.90 1vj6 s ALA 46 N -2.79 1.83 -0.12 5.00 0.00 -1.21 -4.47 121.76 119.99 1vj6 s ALA 46 Ca -0.09 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1vj6 s ALA 46 Cb 0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 1vj6 s ALA 46 CO 0.13 0.31 0.22 0.42 0.00 0.00 0.00 175.76 176.84 1vj6 s ILE 47 N 0.09 5.35 0.10 0.00 -1.09 -1.26 -0.87 121.20 123.52 1vj6 s ILE 47 Ca -0.08 0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 58.45 1vj6 s ILE 47 Cb -0.14 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 1vj6 s ILE 47 CO 0.04 0.53 1.14 -0.63 -1.23 0.00 0.00 174.94 174.78 1vj6 s ILE 48 N -0.44 4.06 -0.68 2.92 1.01 -0.55 -4.96 121.20 122.56 1vj6 s ILE 48 Ca 0.16 1.58 -0.26 0.00 0.00 0.00 0.00 60.65 62.13 1vj6 s ILE 48 Cb -0.13 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 1vj6 s ILE 48 CO 0.05 0.18 2.33 -2.84 0.00 0.00 0.00 174.94 174.66 1vj6 s PRO 49 N 0.47 1.93 -0.33 2.79 0.02 -1.26 -3.64 135.00 134.98 1vj6 s PRO 49 Ca 0.54 0.77 -0.00 0.00 0.02 0.00 0.00 61.00 62.33 1vj6 s PRO 49 Cb -0.29 -4.71 -0.00 0.00 0.02 0.00 0.00 34.50 29.52 1vj6 s PRO 49 CO 0.31 -3.82 0.28 1.63 -0.33 0.00 0.00 177.00 175.07 1vj6 n LYS 50 N 8.92 -1.69 0.00 5.54 5.02 -1.26 -5.07 118.16 129.61 1vj6 n LYS 50 Ca 0.41 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1vj6 n LYS 50 Cb 0.48 -3.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.15 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 -1.09 0.84 0.10 0.72 0.00 -1.24 -4.95 105.19 99.58 1vj6 n GLY 51 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 1.73 -0.04 4.61 0.00 0.94 -4.49 120.51 120.25 1vj6 n ALA 52 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1vj6 n ALA 52 Cb 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.04 0.12 -0.53 0.00 0.00 -1.23 -2.80 119.26 114.79 1vj6 h ALA 53 Ca -0.31 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.34 1vj6 h ALA 53 Cb 1.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1vj6 h ALA 53 CO -0.06 -0.04 0.35 1.49 0.00 0.00 0.00 179.25 180.98 1vj6 h GLU 54 N -0.22 0.54 0.00 0.00 4.81 -1.82 -2.29 114.58 115.60 1vj6 h GLU 54 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1vj6 h GLU 54 Cb 0.61 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1vj6 h GLU 54 CO 0.02 0.36 0.00 0.43 -0.73 0.00 0.00 179.01 179.09 1vj6 n SER 55 N -4.47 0.00 0.00 1.04 7.64 -1.07 -2.26 113.62 114.50 1vj6 n SER 55 Ca 0.06 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1vj6 n SER 55 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.94 0.00 0.00 6.43 2.03 -0.86 -5.03 116.55 118.18 1vj6 n ASP 56 Ca 0.13 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1vj6 n ASP 56 Cb 0.06 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 1.08 0.84 0.05 0.27 0.00 -0.96 -4.99 105.19 101.49 1vj6 n GLY 57 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1vj6 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vj6 n ARG 58 N 0.00 0.36 -2.77 1.61 1.74 -1.26 -4.87 116.66 111.47 1vj6 n ARG 58 Ca 0.00 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1vj6 n ARG 58 Cb 0.00 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 1vj6 n ARG 58 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vj6 s ILE 59 N -3.24 4.61 0.32 0.55 1.01 -1.26 -5.02 121.20 118.17 1vj6 s ILE 59 Ca 0.03 1.99 0.01 0.00 0.00 0.00 0.00 60.65 62.68 1vj6 s ILE 59 Cb 0.13 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1vj6 s ILE 59 CO 0.79 0.30 0.36 -1.00 0.00 0.00 0.00 174.94 175.40 1vj6 s HIS 60 N 0.17 1.31 -0.43 3.97 3.76 -1.26 -4.86 115.29 117.95 1vj6 s HIS 60 Ca 0.46 -1.42 -0.27 0.00 -0.15 0.00 0.00 55.06 53.68 1vj6 s HIS 60 Cb -0.22 -0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1vj6 s HIS 60 CO 0.28 -0.98 2.12 0.15 -0.85 0.00 0.00 174.74 175.47 1vj6 s LYS 61 N -3.37 2.68 0.00 1.40 1.02 -1.26 -2.61 119.74 117.60 1vj6 s LYS 61 Ca 0.35 1.36 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1vj6 s LYS 61 Cb 0.01 -4.42 0.00 0.00 -0.52 0.00 0.00 37.83 32.91 1vj6 s LYS 61 CO 0.22 -2.62 0.00 0.41 -0.92 0.00 0.00 175.35 172.43 1vj6 n GLY 62 N 5.77 1.90 3.79 -3.33 0.00 -0.88 -5.02 105.19 107.42 1vj6 n GLY 62 Ca 0.29 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.02 4.77 -0.15 1.61 1.01 -1.07 -4.69 116.67 118.13 1vj6 s ASP 63 Ca 0.00 1.63 -0.10 0.00 0.71 0.00 0.00 52.55 54.79 1vj6 s ASP 63 Cb 0.00 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1vj6 s ASP 63 CO 0.00 -1.84 0.19 -0.60 0.21 0.00 0.00 175.17 173.13 1vj6 s ARG 64 N -5.00 3.91 -0.31 8.23 3.52 -0.88 -1.56 118.95 126.86 1vj6 s ARG 64 Ca 0.60 -0.07 -0.08 0.00 -0.13 0.00 0.00 55.73 56.05 1vj6 s ARG 64 Cb -0.15 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1vj6 s ARG 64 CO 0.55 0.49 0.11 0.08 -0.81 0.00 0.00 175.30 175.72 1vj6 s VAL 65 N -0.24 4.12 -0.15 7.11 1.01 0.74 -0.15 120.40 132.84 1vj6 s VAL 65 Ca 0.13 -0.70 0.17 0.00 0.00 0.00 0.00 61.98 61.59 1vj6 s VAL 65 Cb -0.12 -3.15 -0.25 0.00 0.00 0.00 0.00 36.38 32.86 1vj6 s VAL 65 CO 0.03 0.03 0.14 0.00 0.00 0.00 0.00 175.10 175.29 1vj6 n LEU 66 N 4.89 0.00 -3.73 3.92 -0.00 -0.04 -1.11 117.00 120.93 1vj6 n LEU 66 Ca -0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.78 1vj6 n LEU 66 Cb 0.48 0.36 -0.02 0.00 -0.00 0.00 0.00 43.42 44.23 1vj6 n LEU 66 CO 0.32 0.36 0.42 0.00 -0.00 0.00 0.00 177.39 178.49 1vj6 s ALA 67 N -2.65 -1.27 -0.09 1.47 0.00 -1.04 -1.60 121.76 116.58 1vj6 s ALA 67 Ca -0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1vj6 s ALA 67 Cb 0.07 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.09 1vj6 s ALA 67 CO 0.77 -0.94 0.23 0.54 0.00 0.00 0.00 175.76 176.37 1vj6 s VAL 68 N -3.87 -0.02 -1.82 0.00 0.11 -0.05 -0.58 120.40 114.16 1vj6 s VAL 68 Ca 0.08 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1vj6 s VAL 68 Cb -0.04 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1vj6 s VAL 68 CO 0.00 0.03 0.00 0.59 -3.33 0.00 0.00 175.10 172.39 1vj6 n ASN 69 N 3.55 -4.55 0.00 3.54 4.13 -0.39 0.30 115.26 121.84 1vj6 n ASN 69 Ca -0.19 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.49 1vj6 n ASN 69 Cb 0.56 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.70 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vj6 n GLY 70 N -0.33 0.59 3.24 7.41 0.00 -1.26 -5.03 105.19 109.81 1vj6 n GLY 70 Ca -0.17 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 3.81 0.40 1.61 1.01 0.15 -5.08 120.40 120.30 1vj6 s VAL 71 Ca 0.00 -1.41 -0.27 0.00 0.00 0.00 0.00 61.98 60.30 1vj6 s VAL 71 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 1vj6 s VAL 71 CO 0.00 -0.39 1.41 -0.94 0.00 0.00 0.00 175.10 175.18 1vj6 s SER 72 N 1.75 6.21 -0.15 3.32 1.04 -1.26 -0.87 113.70 123.74 1vj6 s SER 72 Ca 0.02 2.89 0.00 0.00 0.48 0.00 0.00 55.95 59.34 1vj6 s SER 72 Cb -0.21 -2.66 0.16 0.00 0.10 0.00 0.00 66.02 63.41 1vj6 s SER 72 CO 0.01 -0.95 1.58 0.18 0.98 0.00 0.00 173.24 175.04 1vj6 n LEU 73 N 0.19 4.87 -4.57 2.42 4.77 -0.63 -4.90 117.00 119.16 1vj6 n LEU 73 Ca 0.03 -2.44 -0.40 0.00 -0.03 0.00 0.00 56.01 53.17 1vj6 n LEU 73 Cb 0.41 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1vj6 n LEU 73 CO 0.60 0.86 1.43 -1.61 -1.33 0.00 0.00 177.39 177.34 1vj6 s GLU 74 N -0.95 3.01 0.00 3.23 2.02 -1.26 -1.90 118.70 122.85 1vj6 s GLU 74 Ca 0.16 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1vj6 s GLU 74 Cb 0.13 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 30.11 1vj6 s GLU 74 CO 0.02 -2.28 0.00 0.41 0.02 0.00 0.00 175.26 173.43 1vj6 n GLY 75 N 5.48 0.76 3.80 -1.39 0.00 -1.26 -4.99 105.19 107.58 1vj6 n GLY 75 Ca 0.16 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.54 0.25 4.61 0.00 -0.80 -4.85 121.76 122.51 1vj6 s ALA 76 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1vj6 s ALA 76 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1vj6 s ALA 76 CO 0.00 0.36 0.00 0.25 0.00 0.00 0.00 175.76 176.37 1vj6 n THR 77 N 1.66 0.00 0.26 0.00 -2.24 -1.26 -1.04 114.28 111.67 1vj6 n THR 77 Ca -0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 1vj6 n THR 77 Cb 0.50 -1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 67.40 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 -0.09 -0.56 -0.28 4.78 2.76 -1.92 0.29 115.15 120.13 1vj6 h HIS 78 Ca 0.00 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 1vj6 h HIS 78 Cb 0.00 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1vj6 h HIS 78 CO 0.00 -0.35 -0.06 0.87 -1.30 0.00 0.00 177.93 177.09 1vj6 h LYS 79 N -0.60 0.54 -0.19 5.26 1.57 -1.95 -2.28 116.57 118.92 1vj6 h LYS 79 Ca -0.06 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1vj6 h LYS 79 Cb 0.46 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1vj6 h LYS 79 CO 0.10 0.74 -0.33 0.37 -0.57 0.00 0.00 179.45 179.76 1vj6 h GLN 80 N 0.30 0.39 -0.65 3.15 4.15 -1.92 0.00 115.11 120.54 1vj6 h GLN 80 Ca 0.07 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1vj6 h GLN 80 Cb 0.54 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1vj6 h GLN 80 CO 0.03 0.68 0.12 0.00 -1.93 0.00 0.00 178.83 177.73 1vj6 h ALA 81 N 1.31 0.97 0.08 3.38 0.00 -0.94 -0.34 119.26 123.73 1vj6 h ALA 81 Ca 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1vj6 h ALA 81 Cb 0.75 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1vj6 h ALA 81 CO 0.06 0.65 -0.24 0.28 0.00 0.00 0.00 179.25 180.00 1vj6 h VAL 82 N 1.00 0.46 0.00 0.00 2.07 -1.03 -2.56 116.25 116.20 1vj6 h VAL 82 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 1vj6 h VAL 82 Cb 0.41 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1vj6 h VAL 82 CO 0.01 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.26 1vj6 h GLU 83 N -0.42 0.00 -0.47 1.57 5.08 -0.80 0.65 114.58 120.20 1vj6 h GLU 83 Ca 0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1vj6 h GLU 83 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1vj6 h GLU 83 CO -0.16 0.01 0.08 1.15 -1.00 0.00 0.00 179.01 179.09 1vj6 h THR 84 N 0.00 1.21 0.13 1.13 2.02 -0.81 -1.47 112.91 115.12 1vj6 h THR 84 Ca -0.00 -0.80 -0.37 0.00 0.77 0.00 0.00 66.41 66.01 1vj6 h THR 84 Cb 0.48 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1vj6 h THR 84 CO 0.00 0.29 -2.00 0.18 0.37 0.00 0.00 175.52 174.36 1vj6 n LEU 85 N -4.28 2.64 -0.04 2.58 4.77 -0.42 -4.55 117.00 117.71 1vj6 n LEU 85 Ca 0.03 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 1vj6 n LEU 85 Cb 0.23 -1.12 -0.08 0.00 -2.33 0.00 0.00 43.42 40.12 1vj6 n LEU 85 CO 0.40 0.86 0.40 0.08 -1.33 0.00 0.00 177.39 177.79 1vj6 h ARG 86 N 0.07 0.55 -1.90 3.23 -0.00 0.21 -3.34 114.38 113.20 1vj6 h ARG 86 Ca -0.42 -0.42 -0.38 0.00 -0.00 0.00 0.00 59.98 58.76 1vj6 h ARG 86 Cb 2.04 0.08 -0.14 0.00 -0.00 0.00 0.00 29.97 31.94 1vj6 h ARG 86 CO 0.09 1.04 0.23 -1.71 -0.00 0.00 0.00 179.97 179.62 1vj6 n ASN 87 N -4.24 6.18 -4.99 0.08 5.15 -0.55 -4.86 115.26 112.02 1vj6 n ASN 87 Ca -0.07 -3.00 -0.20 0.00 -0.60 0.00 0.00 54.58 50.71 1vj6 n ASN 87 Cb 0.58 -1.23 0.03 0.00 -0.53 0.00 0.00 39.78 38.63 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 -1.52 2.37 -0.90 -0.44 -4.23 -1.26 -4.97 115.64 104.69 1vj6 s THR 88 Ca 0.52 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 1vj6 s THR 88 Cb 0.32 -2.47 0.25 0.00 1.34 0.00 0.00 72.50 71.95 1vj6 s THR 88 CO -0.12 0.00 0.97 0.61 -0.54 0.00 0.00 174.62 175.54 1vj6 n GLY 89 N -2.00 4.53 5.00 3.99 0.00 -1.26 -4.95 105.19 110.51 1vj6 n GLY 89 Ca 0.10 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.47 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 1.77 0.00 -3.48 1.61 -0.06 -1.26 -4.82 117.38 111.14 1vj6 n GLN 90 Ca 0.25 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.87 1vj6 n GLN 90 Cb 0.37 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.49 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 0.00 5.15 -0.29 1.69 1.01 -1.26 -3.67 120.40 123.04 1vj6 s VAL 91 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1vj6 s VAL 91 Cb 0.00 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.74 1vj6 s VAL 91 CO 0.00 0.47 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1vj6 s VAL 92 N -0.29 2.30 -0.65 2.92 1.01 -0.43 -4.92 120.40 120.34 1vj6 s VAL 92 Ca 0.22 -1.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.13 1vj6 s VAL 92 Cb -0.15 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1vj6 s VAL 92 CO 0.10 -0.19 1.29 -1.00 0.00 0.00 0.00 175.10 175.30 1vj6 s HIS 93 N 1.07 2.37 -0.30 5.22 3.76 -1.26 -0.50 115.29 125.65 1vj6 s HIS 93 Ca -0.03 0.23 -0.24 0.00 -0.15 0.00 0.00 55.06 54.87 1vj6 s HIS 93 Cb -0.20 -4.53 0.00 0.00 1.11 0.00 0.00 32.58 28.96 1vj6 s HIS 93 CO -0.05 -1.89 0.84 -0.51 -0.85 0.00 0.00 174.74 172.27 1vj6 s LEU 94 N 5.64 4.07 -0.58 0.89 1.43 0.54 -1.26 118.68 129.39 1vj6 s LEU 94 Ca 0.42 0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 54.07 1vj6 s LEU 94 Cb -0.08 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 43.04 1vj6 s LEU 94 CO 0.21 -0.64 0.85 -0.22 0.23 0.00 0.00 176.35 176.77 1vj6 s LEU 95 N 3.05 4.56 -0.00 1.79 0.20 0.25 -1.54 118.68 126.99 1vj6 s LEU 95 Ca 0.35 -0.84 -0.00 0.00 0.69 0.00 0.00 54.13 54.32 1vj6 s LEU 95 Cb -0.14 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.05 1vj6 s LEU 95 CO 0.12 -1.21 0.07 -0.76 -0.29 0.00 0.00 176.35 174.28 1vj6 s LEU 96 N 3.54 3.85 -0.23 -0.68 1.43 -0.28 -0.86 118.68 125.45 1vj6 s LEU 96 Ca 0.22 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1vj6 s LEU 96 Cb -0.17 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1vj6 s LEU 96 CO 0.13 0.27 0.02 -1.61 0.23 0.00 0.00 176.35 175.39 1vj6 s GLU 97 N -1.71 3.54 -0.05 1.70 2.02 0.79 -0.88 118.70 124.11 1vj6 s GLU 97 Ca 0.22 -0.54 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 1vj6 s GLU 97 Cb -0.12 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1vj6 s GLU 97 CO 0.13 -0.16 1.14 0.21 0.02 0.00 0.00 175.26 176.61 1vj6 s LYS 98 N 1.46 4.39 0.00 1.61 2.47 -0.92 -2.07 119.74 126.68 1vj6 s LYS 98 Ca 0.05 1.60 0.00 0.00 -1.56 0.00 0.00 55.97 56.07 1vj6 s LYS 98 Cb -0.15 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.70 1vj6 s LYS 98 CO 0.01 -0.37 0.69 0.41 0.16 0.00 0.00 175.35 176.25 1vj6 n GLY 99 N 3.25 -3.25 0.00 5.54 0.00 -1.26 -3.43 105.19 106.04 1vj6 n GLY 99 Ca 0.10 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1vj6 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vj6 n GLN 100 N -1.52 0.00 -3.36 1.61 10.64 -1.26 -4.75 117.38 118.74 1vj6 n GLN 100 Ca 0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 1vj6 n GLN 100 Cb 0.00 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.29 1vj6 n GLN 100 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1vj6 s VAL 101 N 0.00 5.15 -2.00 -0.39 1.01 -1.26 -4.72 120.40 118.19 1vj6 s VAL 101 Ca 0.00 0.52 0.20 0.00 0.00 0.00 0.00 61.98 62.70 1vj6 s VAL 101 Cb 0.00 -3.75 0.57 0.00 0.00 0.00 0.00 36.38 33.19 1vj6 s VAL 101 CO 0.00 0.08 1.57 -2.65 0.00 0.00 0.00 175.10 174.11