#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 1.52 -0.16 0.03 3.01 -1.26 -5.10 119.74 117.78 1vj6 s LYS 9 Ca 0.00 -0.63 -0.29 0.00 -1.01 0.00 0.00 55.97 54.04 1vj6 s LYS 9 Cb 0.00 -1.43 -0.01 0.00 -1.01 0.00 0.00 37.83 35.38 1vj6 s LYS 9 CO 0.00 0.35 1.19 -1.25 0.51 0.00 0.00 175.35 176.15 1vj6 s PRO 10 N -0.31 4.26 -0.76 -1.68 0.04 -1.26 -3.37 135.00 131.92 1vj6 s PRO 10 Ca 0.04 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 1vj6 s PRO 10 Cb -0.08 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1vj6 s PRO 10 CO -0.00 -0.63 0.51 0.41 0.04 0.00 0.00 177.00 177.32 1vj6 n GLY 11 N 3.49 0.12 3.71 0.56 0.00 -1.01 -5.00 105.19 107.05 1vj6 n GLY 11 Ca 0.13 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.04 7.34 -0.15 1.61 2.15 -1.22 -4.66 116.67 118.70 1vj6 s ASP 12 Ca 0.25 1.62 -0.27 0.00 0.43 0.00 0.00 52.55 54.59 1vj6 s ASP 12 Cb -0.11 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 1vj6 s ASP 12 CO 0.31 -0.25 0.89 0.42 -0.17 0.00 0.00 175.17 176.37 1vj6 s THR 13 N 1.02 4.85 -0.14 1.71 -4.23 -1.26 -1.48 115.64 116.11 1vj6 s THR 13 Ca 0.51 1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 62.77 1vj6 s THR 13 Cb -0.21 -4.19 -0.02 0.00 1.34 0.00 0.00 72.50 69.42 1vj6 s THR 13 CO 0.27 0.02 -0.11 0.72 -0.54 0.00 0.00 174.62 174.98 1vj6 s PHE 14 N 2.09 2.86 -1.01 3.99 -0.71 -0.51 -5.02 117.98 119.68 1vj6 s PHE 14 Ca 0.42 -0.60 -0.12 0.00 -1.04 0.00 0.00 56.93 55.59 1vj6 s PHE 14 Cb -0.17 -1.88 0.24 0.00 -1.21 0.00 0.00 43.02 40.00 1vj6 s PHE 14 CO 0.14 -0.20 1.01 -1.21 -1.34 0.00 0.00 175.22 173.63 1vj6 s GLU 15 N 0.42 3.94 -0.53 1.99 2.02 -1.26 -2.22 118.70 123.06 1vj6 s GLU 15 Ca -0.09 -2.80 -0.27 0.00 0.02 0.00 0.00 54.97 51.83 1vj6 s GLU 15 Cb -0.15 -4.58 0.03 0.00 0.10 0.00 0.00 34.13 29.53 1vj6 s GLU 15 CO 0.05 -1.34 1.10 0.08 0.02 0.00 0.00 175.26 175.16 1vj6 s VAL 16 N -0.25 4.20 -0.38 2.63 1.01 0.08 -4.80 120.40 122.88 1vj6 s VAL 16 Ca 0.27 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 62.97 1vj6 s VAL 16 Cb -0.09 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1vj6 s VAL 16 CO -0.08 -1.14 0.34 -1.83 0.00 0.00 0.00 175.10 172.40 1vj6 s GLU 17 N 4.47 3.29 0.12 2.72 -1.05 -1.26 0.25 118.70 127.25 1vj6 s GLU 17 Ca 0.41 -0.69 0.09 0.00 -0.15 0.00 0.00 54.97 54.64 1vj6 s GLU 17 Cb -0.08 -3.89 -0.04 0.00 -0.44 0.00 0.00 34.13 29.68 1vj6 s GLU 17 CO 0.26 -0.64 -0.23 -0.51 0.95 0.00 0.00 175.26 175.09 1vj6 s LEU 18 N 1.91 2.33 -0.32 1.83 1.43 -0.28 -4.97 118.68 120.61 1vj6 s LEU 18 Ca 0.09 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 1vj6 s LEU 18 Cb -0.17 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.07 1vj6 s LEU 18 CO 0.12 0.10 0.06 0.00 0.23 0.00 0.00 176.35 176.85 1vj6 s ALA 19 N -1.24 2.95 0.60 4.21 0.00 -1.26 -0.95 121.76 126.08 1vj6 s ALA 19 Ca 0.11 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.15 1vj6 s ALA 19 Cb -0.09 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1vj6 s ALA 19 CO 0.05 -1.27 1.32 0.15 0.00 0.00 0.00 175.76 176.02 1vj6 s LYS 20 N 1.36 2.82 -0.59 0.00 3.01 -1.23 -4.95 119.74 120.16 1vj6 s LYS 20 Ca -0.03 2.15 -0.13 0.00 -1.01 0.00 0.00 55.97 56.95 1vj6 s LYS 20 Cb -0.19 -2.03 0.15 0.00 -1.01 0.00 0.00 37.83 34.74 1vj6 s LYS 20 CO 0.01 -1.41 0.52 -0.08 0.51 0.00 0.00 175.35 174.90 1vj6 s THR 21 N -1.35 4.98 -1.17 2.17 -1.32 0.17 -4.53 115.64 114.59 1vj6 s THR 21 Ca 0.78 -1.88 -0.00 0.00 -1.21 0.00 0.00 61.69 59.38 1vj6 s THR 21 Cb -0.39 -4.18 -0.00 0.00 -1.51 0.00 0.00 72.50 66.42 1vj6 s THR 21 CO 0.43 -0.88 0.97 -0.67 -2.21 0.00 0.00 174.62 172.26 1vj6 n ASP 22 N 4.77 -2.09 -3.04 8.08 -0.08 -1.26 -3.11 116.55 119.82 1vj6 n ASP 22 Ca -0.05 -0.61 -0.14 0.00 -1.51 0.00 0.00 54.79 52.49 1vj6 n ASP 22 Cb 0.42 -5.02 0.07 0.00 2.34 0.00 0.00 41.12 38.93 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1vj6 n GLY 23 N -1.13 -0.61 3.23 0.27 0.00 -1.26 -5.04 105.19 100.66 1vj6 n GLY 23 Ca -0.28 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.69 -0.94 0.01 1.61 1.04 -1.18 -4.98 113.70 105.56 1vj6 s SER 24 Ca 0.23 0.74 -0.25 0.00 0.48 0.00 0.00 55.95 57.15 1vj6 s SER 24 Cb -0.03 1.85 -0.18 0.00 0.10 0.00 0.00 66.02 67.76 1vj6 s SER 24 CO 0.63 -0.18 1.39 -0.07 0.98 0.00 0.00 173.24 176.00 1vj6 h LEU 25 N 7.93 0.04 0.00 2.42 3.38 -1.93 0.51 115.31 127.66 1vj6 h LEU 25 Ca -0.18 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1vj6 h LEU 25 Cb 1.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1vj6 h LEU 25 CO 0.10 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1vj6 n GLY 26 N -0.11 1.09 3.15 0.83 0.00 -1.26 -0.55 105.19 108.35 1vj6 n GLY 26 Ca -0.08 0.00 -0.28 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 -2.00 1.65 -0.26 -0.61 -4.36 -1.26 -1.56 121.20 112.80 1vj6 s ILE 27 Ca 0.00 -0.80 -0.29 0.00 -0.26 0.00 0.00 60.65 59.29 1vj6 s ILE 27 Cb 0.00 -1.43 0.00 0.00 1.25 0.00 0.00 42.46 42.28 1vj6 s ILE 27 CO 0.00 0.47 1.20 -0.44 0.24 0.00 0.00 174.94 176.41 1vj6 s SER 28 N 0.26 6.87 -0.09 4.36 0.01 -0.33 -4.97 113.70 119.82 1vj6 s SER 28 Ca -0.11 1.33 -0.24 0.00 1.31 0.00 0.00 55.95 58.24 1vj6 s SER 28 Cb -0.15 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1vj6 s SER 28 CO 0.05 -0.89 0.72 0.68 0.41 0.00 0.00 173.24 174.21 1vj6 s VAL 29 N 3.80 5.02 0.30 3.43 -7.23 -1.26 -0.37 120.40 124.09 1vj6 s VAL 29 Ca 0.52 1.46 0.03 0.00 -1.81 0.00 0.00 61.98 62.18 1vj6 s VAL 29 Cb -0.17 -4.05 -0.06 0.00 0.56 0.00 0.00 36.38 32.66 1vj6 s VAL 29 CO 0.17 0.21 0.07 0.28 -0.31 0.00 0.00 175.10 175.51 1vj6 s THR 30 N 1.09 0.99 -0.70 5.32 -1.32 -0.16 -4.86 115.64 116.00 1vj6 s THR 30 Ca 0.37 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.81 1vj6 s THR 30 Cb -0.17 -2.72 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 1vj6 s THR 30 CO 0.17 -0.02 0.61 0.61 -2.21 0.00 0.00 174.62 173.78 1vj6 n GLY 31 N -0.60 -0.42 2.67 6.08 0.00 -1.26 0.03 105.19 111.69 1vj6 n GLY 31 Ca -0.02 0.25 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.30 1.54 0.41 -0.02 0.00 -1.26 -3.94 105.19 100.62 1vj6 n GLY 32 Ca -0.06 -2.13 0.23 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.13 0.67 -0.21 1.61 3.04 -1.29 -2.54 116.25 117.39 1vj6 h VAL 33 Ca -0.20 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.38 1vj6 h VAL 33 Cb 0.85 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1vj6 h VAL 33 CO 0.26 0.00 -0.35 -0.55 -1.01 0.00 0.00 177.57 175.92 1vj6 h ASN 34 N 0.00 0.47 -0.49 3.17 -1.07 -1.89 -3.08 115.58 112.69 1vj6 h ASN 34 Ca 0.31 -0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.49 1vj6 h ASN 34 Cb 1.25 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.37 1vj6 h ASN 34 CO -0.00 0.79 0.00 0.35 0.07 0.00 0.00 177.43 178.64 1vj6 n THR 35 N -4.06 1.36 -2.53 6.14 -2.24 -0.96 -4.95 114.28 107.05 1vj6 n THR 35 Ca -0.01 -0.88 -0.06 0.00 -2.27 0.00 0.00 64.05 60.83 1vj6 n THR 35 Cb 0.47 0.03 0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1vj6 n THR 35 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vj6 n SER 36 N 0.80 -5.07 0.00 3.42 7.64 -1.17 -4.99 113.62 114.26 1vj6 n SER 36 Ca 0.19 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1vj6 n SER 36 Cb 0.70 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.44 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 -2.20 0.00 -0.06 0.44 0.24 -1.26 -5.02 118.33 110.47 1vj6 n VAL 37 Ca -0.03 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.22 1vj6 n VAL 37 Cb 0.55 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 1vj6 n VAL 37 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1vj6 h ARG 38 N 0.00 0.00 0.00 7.34 2.43 -1.92 -3.48 114.38 118.74 1vj6 h ARG 38 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vj6 h ARG 38 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1vj6 h ARG 38 CO 0.00 0.29 0.00 0.72 -1.51 0.00 0.00 179.97 179.47 1vj6 n HIS 39 N -4.68 0.00 0.00 2.20 8.25 -1.26 -5.13 115.22 114.59 1vj6 n HIS 39 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1vj6 n HIS 39 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vj6 n GLY 40 N 0.95 1.36 1.97 -1.41 0.00 -1.26 -4.22 105.19 102.57 1vj6 n GLY 40 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 5.00 -2.24 3.26 -0.02 0.00 -0.50 -4.66 105.19 106.03 1vj6 n GLY 41 Ca 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.23 0.11 0.12 -0.61 1.10 -0.94 -4.29 121.20 116.46 1vj6 s ILE 42 Ca 0.00 -1.15 0.02 0.00 -0.51 0.00 0.00 60.65 59.01 1vj6 s ILE 42 Cb 0.00 -1.44 -0.04 0.00 0.15 0.00 0.00 42.46 41.12 1vj6 s ILE 42 CO 0.00 -0.52 -0.05 -0.31 -2.11 0.00 0.00 174.94 171.96 1vj6 s TYR 43 N -3.88 0.97 -0.14 3.50 1.51 0.10 -0.06 117.35 119.36 1vj6 s TYR 43 Ca 0.08 -0.95 -0.18 0.00 -1.01 0.00 0.00 57.07 55.01 1vj6 s TYR 43 Cb 0.04 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1vj6 s TYR 43 CO -0.08 -0.18 0.46 0.08 -1.11 0.00 0.00 175.55 174.72 1vj6 s VAL 44 N -3.65 5.19 -0.19 0.71 1.01 -0.94 -0.99 120.40 121.54 1vj6 s VAL 44 Ca 0.15 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 1vj6 s VAL 44 Cb 0.06 -3.79 -0.20 0.00 0.00 0.00 0.00 36.38 32.44 1vj6 s VAL 44 CO -0.02 0.31 0.29 0.50 0.00 0.00 0.00 175.10 176.18 1vj6 h LYS 45 N 6.85 0.02 -3.86 2.72 3.64 -1.04 -2.28 116.57 122.61 1vj6 h LYS 45 Ca -0.40 -0.04 -0.40 0.00 -1.27 0.00 0.00 60.65 58.54 1vj6 h LYS 45 Cb 1.17 0.01 -0.35 0.00 -0.41 0.00 0.00 32.23 32.66 1vj6 h LYS 45 CO 0.75 1.02 -0.76 0.00 -2.27 0.00 0.00 179.45 178.18 1vj6 s ALA 46 N -2.36 0.60 -0.27 5.00 0.00 -1.22 -4.69 121.76 118.82 1vj6 s ALA 46 Ca -0.27 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 1vj6 s ALA 46 Cb 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1vj6 s ALA 46 CO 0.62 -0.15 0.36 0.42 0.00 0.00 0.00 175.76 177.00 1vj6 s ILE 47 N 1.24 5.18 0.27 0.00 -1.09 -1.26 -1.18 121.20 124.36 1vj6 s ILE 47 Ca -0.06 0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 58.68 1vj6 s ILE 47 Cb -0.14 -3.69 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1vj6 s ILE 47 CO -0.02 0.15 0.78 0.27 -1.23 0.00 0.00 174.94 174.89 1vj6 s ILE 48 N 2.05 4.51 -1.29 2.92 -4.36 -0.60 -4.97 121.20 119.46 1vj6 s ILE 48 Ca 0.14 1.34 -0.18 0.00 -0.26 0.00 0.00 60.65 61.69 1vj6 s ILE 48 Cb -0.16 -3.83 0.03 0.00 1.25 0.00 0.00 42.46 39.75 1vj6 s ILE 48 CO 0.10 0.10 1.86 -0.81 0.24 0.00 0.00 174.94 176.44 1vj6 n PRO 49 N 0.45 2.81 0.00 0.37 -0.04 -1.26 -4.53 135.00 132.79 1vj6 n PRO 49 Ca -0.00 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.49 1vj6 n PRO 49 Cb 0.51 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 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 7.92 0.00 0.00 0.54 5.02 -1.26 -5.13 118.16 125.25 1vj6 n LYS 50 Ca 0.49 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1vj6 n LYS 50 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 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 3.64 -1.37 1.45 0.72 0.00 -1.26 -4.88 105.19 103.49 1vj6 n GLY 51 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 3.00 0.05 4.61 0.00 -1.23 -4.67 120.51 122.27 1vj6 n ALA 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1vj6 n ALA 52 Cb 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.10 -0.62 0.00 0.00 -1.15 -2.78 119.26 114.61 1vj6 h ALA 53 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1vj6 h ALA 53 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1vj6 h ALA 53 CO 0.00 -0.44 0.41 1.49 0.00 0.00 0.00 179.25 180.71 1vj6 h GLU 54 N -0.33 0.50 0.00 0.00 4.81 -1.80 -1.73 114.58 116.03 1vj6 h GLU 54 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1vj6 h GLU 54 Cb 0.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1vj6 h GLU 54 CO 0.02 0.33 0.00 0.45 -0.73 0.00 0.00 179.01 179.08 1vj6 n SER 55 N -4.48 0.00 0.00 1.04 2.88 -1.07 -3.17 113.62 108.83 1vj6 n SER 55 Ca 0.09 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1vj6 n SER 55 Cb 0.31 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.32 0.00 0.00 -3.46 2.03 -0.65 -4.99 116.55 108.17 1vj6 n ASP 56 Ca 0.08 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1vj6 n ASP 56 Cb 0.16 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 1.30 1.42 0.15 0.27 0.00 -1.19 -4.92 105.19 102.23 1vj6 n GLY 57 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.25 0.00 -6.82 1.61 3.08 -1.90 -3.46 114.38 107.14 1vj6 h ARG 58 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1vj6 h ARG 58 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 1vj6 h ARG 58 CO 0.00 0.34 0.53 0.42 -1.07 0.00 0.00 179.97 180.19 1vj6 s ILE 59 N -3.03 3.26 0.00 2.04 1.01 -1.26 -5.03 121.20 118.18 1vj6 s ILE 59 Ca 0.04 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1vj6 s ILE 59 Cb 0.07 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1vj6 s ILE 59 CO 0.74 0.29 0.00 1.57 0.00 0.00 0.00 174.94 177.54 1vj6 n HIS 60 N 1.16 0.00 -2.27 3.97 -0.00 -1.26 -4.99 115.22 111.82 1vj6 n HIS 60 Ca -0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1vj6 n HIS 60 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1vj6 n HIS 60 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vj6 n LYS 61 N 0.00 3.09 0.00 1.57 5.02 -1.26 -3.64 118.16 122.94 1vj6 n LYS 61 Ca 0.00 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1vj6 n LYS 61 Cb 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 35.03 31.63 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 4.77 -0.12 3.87 0.72 0.00 -0.86 -4.89 105.19 108.68 1vj6 n GLY 62 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1vj6 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vj6 s ASP 63 N 0.00 6.31 -0.35 1.61 1.01 -1.24 -4.59 116.67 119.42 1vj6 s ASP 63 Ca 0.00 1.31 -0.12 0.00 0.71 0.00 0.00 52.55 54.45 1vj6 s ASP 63 Cb 0.00 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.51 1vj6 s ASP 63 CO 0.00 -0.74 0.22 -0.60 0.21 0.00 0.00 175.17 174.26 1vj6 s ARG 64 N -4.86 3.31 -0.29 8.23 3.00 -0.77 -2.23 118.95 125.34 1vj6 s ARG 64 Ca 0.54 -0.76 -0.24 0.00 -1.00 0.00 0.00 55.73 54.27 1vj6 s ARG 64 Cb -0.11 -3.76 -0.00 0.00 0.00 0.00 0.00 34.95 31.09 1vj6 s ARG 64 CO 0.48 -0.50 0.81 0.08 0.00 0.00 0.00 175.30 176.16 1vj6 s VAL 65 N 1.67 4.79 -0.22 7.11 1.01 0.92 0.04 120.40 135.72 1vj6 s VAL 65 Ca 0.05 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1vj6 s VAL 65 Cb -0.18 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 1vj6 s VAL 65 CO 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 175.10 174.93 1vj6 n LEU 66 N 6.19 2.74 -3.78 3.92 -0.00 -0.31 -2.21 117.00 123.55 1vj6 n LEU 66 Ca 0.04 -0.03 -0.09 0.00 -0.00 0.00 0.00 56.01 55.93 1vj6 n LEU 66 Cb 0.48 -0.90 -0.04 0.00 -0.00 0.00 0.00 43.42 42.97 1vj6 n LEU 66 CO 0.50 0.89 0.30 0.00 -0.00 0.00 0.00 177.39 179.09 1vj6 s ALA 67 N -2.53 -0.93 -0.07 1.47 0.00 -1.06 -1.02 121.76 117.63 1vj6 s ALA 67 Ca -0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1vj6 s ALA 67 Cb 0.08 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.11 1vj6 s ALA 67 CO 0.66 -0.86 -0.01 0.08 0.00 0.00 0.00 175.76 175.63 1vj6 s VAL 68 N -3.90 0.42 -0.88 0.00 1.01 -0.85 -0.53 120.40 115.67 1vj6 s VAL 68 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1vj6 s VAL 68 Cb -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1vj6 s VAL 68 CO 0.00 0.25 0.07 0.59 0.00 0.00 0.00 175.10 176.01 1vj6 n ASN 69 N 4.85 -3.31 -0.24 3.32 3.02 -0.24 -0.93 115.26 121.73 1vj6 n ASN 69 Ca -0.12 0.17 -0.02 0.00 -0.03 0.00 0.00 54.58 54.58 1vj6 n ASN 69 Cb 0.50 -2.83 -0.00 0.00 -0.61 0.00 0.00 39.78 36.83 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 -0.80 0.34 3.06 7.41 0.00 -1.26 -5.00 105.19 108.94 1vj6 n GLY 70 Ca -0.10 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.11 3.30 0.32 1.61 1.01 -0.11 -5.08 120.40 119.35 1vj6 s VAL 71 Ca 0.00 -2.90 -0.29 0.00 0.00 0.00 0.00 61.98 58.79 1vj6 s VAL 71 Cb 0.00 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 1vj6 s VAL 71 CO 0.00 -0.82 1.56 -0.44 0.00 0.00 0.00 175.10 175.40 1vj6 s SER 72 N 0.60 6.36 -0.53 3.32 0.01 -1.26 -2.01 113.70 120.20 1vj6 s SER 72 Ca 0.15 2.98 -0.07 0.00 1.31 0.00 0.00 55.95 60.33 1vj6 s SER 72 Cb -0.22 -2.65 -0.19 0.00 0.21 0.00 0.00 66.02 63.18 1vj6 s SER 72 CO -0.03 -0.90 3.35 0.18 0.41 0.00 0.00 173.24 176.25 1vj6 n LEU 73 N 1.60 6.40 -4.63 2.44 4.77 -0.19 -4.89 117.00 122.50 1vj6 n LEU 73 Ca 0.06 -3.62 -0.42 0.00 -0.03 0.00 0.00 56.01 51.99 1vj6 n LEU 73 Cb 0.38 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 1vj6 n LEU 73 CO 0.64 1.82 0.75 -1.61 -1.33 0.00 0.00 177.39 177.66 1vj6 s GLU 74 N 1.10 4.08 0.00 3.23 2.02 -1.26 -1.40 118.70 126.46 1vj6 s GLU 74 Ca 0.67 0.91 0.00 0.00 0.02 0.00 0.00 54.97 56.57 1vj6 s GLU 74 Cb 0.28 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1vj6 s GLU 74 CO -0.03 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.95 1vj6 n GLY 75 N 3.88 0.44 3.80 -1.39 0.00 -1.26 -5.02 105.19 105.65 1vj6 n GLY 75 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.92 3.55 0.00 4.61 0.00 -1.21 -4.91 121.76 121.88 1vj6 s ALA 76 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1vj6 s ALA 76 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1vj6 s ALA 76 CO 0.00 0.37 0.00 0.25 0.00 0.00 0.00 175.76 176.38 1vj6 n THR 77 N 1.62 0.00 0.40 0.00 -2.24 -1.26 -1.12 114.28 111.69 1vj6 n THR 77 Ca -0.09 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 1vj6 n THR 77 Cb 0.50 -0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 67.67 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 0.01 -0.92 -0.48 4.78 2.76 -1.91 -0.86 115.15 118.53 1vj6 h HIS 78 Ca 0.00 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1vj6 h HIS 78 Cb 0.00 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1vj6 h HIS 78 CO 0.00 -0.57 0.17 -0.22 -1.30 0.00 0.00 177.93 176.01 1vj6 h LYS 79 N -1.00 0.73 -0.52 5.26 3.64 -1.98 -2.41 116.57 120.29 1vj6 h LYS 79 Ca -0.10 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1vj6 h LYS 79 Cb 0.77 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1vj6 h LYS 79 CO 0.17 0.68 0.08 0.37 -2.27 0.00 0.00 179.45 178.47 1vj6 h GLN 80 N 0.64 0.82 -0.79 1.90 4.15 -1.93 -2.22 115.11 117.68 1vj6 h GLN 80 Ca 0.16 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1vj6 h GLN 80 Cb 0.23 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1vj6 h GLN 80 CO -0.01 0.77 0.40 0.00 -1.93 0.00 0.00 178.83 178.06 1vj6 h ALA 81 N 1.31 1.22 0.18 3.38 0.00 -1.02 -2.13 119.26 122.21 1vj6 h ALA 81 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vj6 h ALA 81 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vj6 h ALA 81 CO 0.01 0.61 -0.18 0.28 0.00 0.00 0.00 179.25 179.97 1vj6 h VAL 82 N 1.11 0.61 -0.85 0.00 2.07 -0.91 -2.17 116.25 116.11 1vj6 h VAL 82 Ca 0.28 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.85 1vj6 h VAL 82 Cb 0.07 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1vj6 h VAL 82 CO -0.04 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 177.77 1vj6 h GLU 83 N -0.39 0.94 -0.01 1.57 5.08 -1.34 0.29 114.58 120.71 1vj6 h GLU 83 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1vj6 h GLU 83 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1vj6 h GLU 83 CO -0.04 0.62 -0.20 1.15 -1.00 0.00 0.00 179.01 179.53 1vj6 h THR 84 N 0.96 1.15 0.10 1.13 2.02 -1.16 -1.54 112.91 115.57 1vj6 h THR 84 Ca 0.36 -0.73 -0.30 0.00 0.77 0.00 0.00 66.41 66.51 1vj6 h THR 84 Cb 0.18 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1vj6 h THR 84 CO -0.13 0.21 -1.61 -0.07 0.37 0.00 0.00 175.52 174.30 1vj6 h LEU 85 N 0.02 0.31 0.04 2.58 3.38 -0.69 -3.45 115.31 117.50 1vj6 h LEU 85 Ca 0.00 -0.82 -0.09 0.00 0.09 0.00 0.00 57.88 57.07 1vj6 h LEU 85 Cb 0.37 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1vj6 h LEU 85 CO 0.03 1.69 -0.43 -0.09 0.09 0.00 0.00 178.44 179.72 1vj6 h ARG 86 N -0.31 0.08 -0.88 1.13 1.12 -0.31 -3.36 114.38 111.85 1vj6 h ARG 86 Ca -0.36 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 1vj6 h ARG 86 Cb 1.77 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.78 1vj6 h ARG 86 CO 0.01 1.06 0.00 0.09 -3.11 0.00 0.00 179.97 178.03 1vj6 n ASN 87 N -4.44 1.16 -4.42 -3.80 4.13 -0.59 -4.85 115.26 102.45 1vj6 n ASN 87 Ca -0.15 -2.05 -0.27 0.00 1.68 0.00 0.00 54.58 53.79 1vj6 n ASN 87 Cb 0.61 -0.46 0.14 0.00 -1.54 0.00 0.00 39.78 38.53 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1vj6 s THR 88 N -1.19 2.07 0.00 3.41 -4.23 -1.26 -5.07 115.64 109.38 1vj6 s THR 88 Ca 0.03 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1vj6 s THR 88 Cb 0.02 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1vj6 s THR 88 CO 0.01 0.00 0.40 0.61 -0.54 0.00 0.00 174.62 175.10 1vj6 n GLY 89 N -3.33 -1.43 2.08 3.99 0.00 -1.26 -4.99 105.19 100.25 1vj6 n GLY 89 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.83 0.00 -2.37 1.61 7.27 -1.26 -5.08 117.38 116.72 1vj6 n GLN 90 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1vj6 n GLN 90 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1vj6 n GLN 90 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1vj6 s VAL 91 N -2.00 3.97 -0.25 1.69 1.01 -1.26 -3.46 120.40 120.09 1vj6 s VAL 91 Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.37 1vj6 s VAL 91 Cb 0.00 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1vj6 s VAL 91 CO 0.00 0.06 -0.10 0.68 0.00 0.00 0.00 175.10 175.75 1vj6 s VAL 92 N 1.56 2.39 -0.86 2.92 -7.23 -0.12 -4.94 120.40 114.12 1vj6 s VAL 92 Ca 0.59 -1.41 -0.25 0.00 -1.81 0.00 0.00 61.98 59.11 1vj6 s VAL 92 Cb -0.29 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.36 1vj6 s VAL 92 CO 0.27 0.07 1.42 -1.00 -0.31 0.00 0.00 175.10 175.56 1vj6 s HIS 93 N 1.19 2.32 -0.22 2.82 3.76 -1.26 -1.12 115.29 122.78 1vj6 s HIS 93 Ca -0.05 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.27 1vj6 s HIS 93 Cb -0.18 -4.60 -0.01 0.00 1.11 0.00 0.00 32.58 28.90 1vj6 s HIS 93 CO -0.05 -2.02 1.36 -0.51 -0.85 0.00 0.00 174.74 172.67 1vj6 s LEU 94 N 5.85 4.03 -0.80 0.89 1.43 0.14 -1.08 118.68 129.14 1vj6 s LEU 94 Ca 0.43 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.84 1vj6 s LEU 94 Cb -0.05 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.71 1vj6 s LEU 94 CO 0.04 -0.97 1.13 -0.76 0.23 0.00 0.00 176.35 176.02 1vj6 s LEU 95 N 4.13 4.26 -0.17 1.79 1.43 0.31 -0.74 118.68 129.69 1vj6 s LEU 95 Ca 0.59 -1.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1vj6 s LEU 95 Cb -0.21 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1vj6 s LEU 95 CO 0.21 -1.41 0.05 -0.76 0.23 0.00 0.00 176.35 174.68 1vj6 s LEU 96 N 4.07 3.77 -0.09 1.79 1.43 -0.94 -1.16 118.68 127.56 1vj6 s LEU 96 Ca 0.31 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1vj6 s LEU 96 Cb -0.10 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1vj6 s LEU 96 CO 0.02 0.19 0.02 -0.70 0.23 0.00 0.00 176.35 176.11 1vj6 s GLU 97 N 0.27 3.04 -0.33 1.70 2.12 0.11 -1.43 118.70 124.18 1vj6 s GLU 97 Ca 0.03 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 1vj6 s GLU 97 Cb -0.12 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 1vj6 s GLU 97 CO 0.00 0.71 1.61 0.21 -0.54 0.00 0.00 175.26 177.26 1vj6 s LYS 98 N -0.94 3.55 -1.29 4.30 2.47 -0.55 -1.85 119.74 125.43 1vj6 s LYS 98 Ca 0.14 1.33 -0.10 0.00 -1.56 0.00 0.00 55.97 55.78 1vj6 s LYS 98 Cb -0.11 -4.09 0.16 0.00 -1.46 0.00 0.00 37.83 32.32 1vj6 s LYS 98 CO 0.03 -1.60 1.88 0.41 0.16 0.00 0.00 175.35 176.24 1vj6 n GLY 99 N 5.09 4.70 3.18 5.54 0.00 -1.26 -2.41 105.19 120.03 1vj6 n GLY 99 Ca 0.20 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1vj6 n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vj6 s GLN 100 N 0.60 0.97 0.25 1.61 0.74 -1.26 -4.84 119.66 117.72 1vj6 s GLN 100 Ca 0.40 -1.46 -0.30 0.00 0.05 0.00 0.00 55.36 54.06 1vj6 s GLN 100 Cb 0.10 0.04 -0.09 0.00 1.10 0.00 0.00 33.01 34.15 1vj6 s GLN 100 CO -0.00 -0.20 0.96 0.08 -0.55 0.00 0.00 175.29 175.58 1vj6 s VAL 101 N -3.88 4.00 -2.00 1.34 1.01 -1.26 -4.54 120.40 115.07 1vj6 s VAL 101 Ca 0.22 2.00 0.06 0.00 0.00 0.00 0.00 61.98 64.27 1vj6 s VAL 101 Cb 0.07 -4.26 0.18 0.00 0.00 0.00 0.00 36.38 32.37 1vj6 s VAL 101 CO 0.02 0.46 0.85 -2.65 0.00 0.00 0.00 175.10 173.77