#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 0.74 0.46 2.12 1.02 -1.26 -5.14 119.74 117.68 1vj6 s LYS 9 Ca 0.00 -0.90 -0.22 0.00 0.02 0.00 0.00 55.97 54.87 1vj6 s LYS 9 Cb 0.00 -0.68 -0.08 0.00 -0.52 0.00 0.00 37.83 36.55 1vj6 s LYS 9 CO 0.00 0.15 1.07 -1.25 -0.92 0.00 0.00 175.35 174.39 1vj6 s PRO 10 N -1.70 3.86 -1.51 -1.68 0.04 -1.26 -4.16 135.00 128.59 1vj6 s PRO 10 Ca -0.04 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1vj6 s PRO 10 Cb -0.10 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1vj6 s PRO 10 CO 0.02 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1vj6 n GLY 11 N 0.06 -0.22 3.68 0.56 0.00 -1.03 -4.91 105.19 103.33 1vj6 n GLY 11 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.09 6.86 0.10 1.61 2.15 -1.25 -4.59 116.67 119.46 1vj6 s ASP 12 Ca 0.00 1.04 -0.30 0.00 0.43 0.00 0.00 52.55 53.72 1vj6 s ASP 12 Cb 0.00 -2.40 -0.06 0.00 -0.30 0.00 0.00 42.92 40.17 1vj6 s ASP 12 CO 0.00 -0.25 1.01 0.42 -0.17 0.00 0.00 175.17 176.18 1vj6 s THR 13 N 1.59 4.39 -0.04 1.71 -4.23 -1.26 -0.56 115.64 117.23 1vj6 s THR 13 Ca 0.34 1.92 0.02 0.00 -1.18 0.00 0.00 61.69 62.79 1vj6 s THR 13 Cb -0.17 -4.23 0.01 0.00 1.34 0.00 0.00 72.50 69.46 1vj6 s THR 13 CO 0.13 0.27 -0.10 0.72 -0.54 0.00 0.00 174.62 175.10 1vj6 s PHE 14 N 0.21 1.11 -0.80 3.99 -0.71 -0.27 -4.99 117.98 116.51 1vj6 s PHE 14 Ca 0.49 -0.34 -0.07 0.00 -1.04 0.00 0.00 56.93 55.98 1vj6 s PHE 14 Cb -0.25 -0.83 0.20 0.00 -1.21 0.00 0.00 43.02 40.94 1vj6 s PHE 14 CO 0.31 -0.18 0.69 -1.21 -1.34 0.00 0.00 175.22 173.48 1vj6 s GLU 15 N 0.49 3.22 -0.21 1.99 2.02 -1.26 -0.87 118.70 124.08 1vj6 s GLU 15 Ca -0.09 -2.74 -0.19 0.00 0.02 0.00 0.00 54.97 51.97 1vj6 s GLU 15 Cb -0.12 -4.09 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 1vj6 s GLU 15 CO 0.02 -1.24 0.57 0.08 0.02 0.00 0.00 175.26 174.71 1vj6 s VAL 16 N -0.39 5.06 -0.27 2.63 1.01 -0.28 -4.87 120.40 123.29 1vj6 s VAL 16 Ca 0.21 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 63.15 1vj6 s VAL 16 Cb -0.13 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1vj6 s VAL 16 CO -0.07 0.12 0.10 -1.83 0.00 0.00 0.00 175.10 173.41 1vj6 s GLU 17 N 1.93 3.52 0.29 2.72 1.03 -1.26 0.55 118.70 127.49 1vj6 s GLU 17 Ca 0.25 -0.57 0.11 0.00 0.03 0.00 0.00 54.97 54.80 1vj6 s GLU 17 Cb -0.16 -3.40 -0.05 0.00 -0.80 0.00 0.00 34.13 29.72 1vj6 s GLU 17 CO 0.10 -0.27 -0.18 -0.51 -1.33 0.00 0.00 175.26 173.06 1vj6 s LEU 18 N 1.61 2.61 -0.32 1.83 1.43 -0.14 -4.94 118.68 120.76 1vj6 s LEU 18 Ca 0.06 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.13 1vj6 s LEU 18 Cb -0.16 -1.08 0.09 0.00 0.03 0.00 0.00 46.19 45.08 1vj6 s LEU 18 CO 0.04 -0.01 0.01 0.00 0.23 0.00 0.00 176.35 176.63 1vj6 s ALA 19 N -2.54 2.67 0.46 4.21 0.00 -1.26 -0.36 121.76 124.95 1vj6 s ALA 19 Ca 0.30 -2.24 -0.25 0.00 0.00 0.00 0.00 51.96 49.77 1vj6 s ALA 19 Cb -0.04 -1.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.17 1vj6 s ALA 19 CO 0.15 -1.56 1.35 -1.59 0.00 0.00 0.00 175.76 174.12 1vj6 s LYS 20 N 1.03 3.65 -0.66 0.00 0.00 -1.24 -4.88 119.74 117.65 1vj6 s LYS 20 Ca 0.06 2.25 -0.11 0.00 0.00 0.00 0.00 55.97 58.17 1vj6 s LYS 20 Cb -0.19 -2.58 0.17 0.00 0.00 0.00 0.00 37.83 35.23 1vj6 s LYS 20 CO -0.09 -0.78 0.56 -0.08 0.00 0.00 0.00 175.35 174.96 1vj6 s THR 21 N -1.27 4.80 -1.19 3.79 -1.32 0.07 -4.51 115.64 116.01 1vj6 s THR 21 Ca 0.62 -2.28 -0.11 0.00 -1.21 0.00 0.00 61.69 58.72 1vj6 s THR 21 Cb -0.40 -4.05 -0.02 0.00 -1.51 0.00 0.00 72.50 66.52 1vj6 s THR 21 CO 0.51 -0.91 0.76 -0.67 -2.21 0.00 0.00 174.62 172.09 1vj6 n ASP 22 N 4.27 -4.01 -2.78 8.08 2.03 -1.26 -3.63 116.55 119.26 1vj6 n ASP 22 Ca 0.03 -0.91 -0.11 0.00 0.52 0.00 0.00 54.79 54.32 1vj6 n ASP 22 Cb 0.42 -3.86 0.05 0.00 -0.72 0.00 0.00 41.12 37.02 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 -1.60 -0.61 3.15 0.27 0.00 -1.26 -5.03 105.19 100.11 1vj6 n GLY 23 Ca -0.16 0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.28 -0.32 -0.05 1.61 0.15 -1.24 -4.99 113.70 105.57 1vj6 s SER 24 Ca 0.34 0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.82 1vj6 s SER 24 Cb -0.04 1.23 -0.22 0.00 -1.71 0.00 0.00 66.02 65.28 1vj6 s SER 24 CO 0.54 -0.06 1.14 -0.07 1.20 0.00 0.00 173.24 175.99 1vj6 h LEU 25 N 7.56 0.00 0.00 3.45 3.38 -1.92 0.24 115.31 128.02 1vj6 h LEU 25 Ca -0.11 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1vj6 h LEU 25 Cb 1.17 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1vj6 h LEU 25 CO -0.13 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.63 1vj6 n GLY 26 N 0.57 0.55 3.18 0.83 0.00 -1.26 -0.53 105.19 108.54 1vj6 n GLY 26 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.90 1.84 -0.36 -0.61 -4.36 -1.26 -2.48 121.20 113.07 1vj6 s ILE 27 Ca 0.00 -0.90 -0.29 0.00 -0.26 0.00 0.00 60.65 59.20 1vj6 s ILE 27 Cb 0.00 -1.60 0.00 0.00 1.25 0.00 0.00 42.46 42.11 1vj6 s ILE 27 CO 0.00 0.51 1.49 -0.44 0.24 0.00 0.00 174.94 176.74 1vj6 s SER 28 N 0.35 6.31 -0.16 4.36 0.01 -0.72 -5.00 113.70 118.84 1vj6 s SER 28 Ca -0.16 1.04 -0.26 0.00 1.31 0.00 0.00 55.95 57.89 1vj6 s SER 28 Cb -0.17 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1vj6 s SER 28 CO 0.07 -1.42 0.84 0.68 0.41 0.00 0.00 173.24 173.83 1vj6 s VAL 29 N 5.52 4.88 0.41 3.43 -7.23 -1.26 -0.35 120.40 125.79 1vj6 s VAL 29 Ca 0.65 1.66 0.07 0.00 -1.81 0.00 0.00 61.98 62.55 1vj6 s VAL 29 Cb -0.17 -4.15 -0.08 0.00 0.56 0.00 0.00 36.38 32.55 1vj6 s VAL 29 CO 0.31 0.03 0.02 0.28 -0.31 0.00 0.00 175.10 175.43 1vj6 s THR 30 N 2.09 2.04 0.00 5.32 -1.32 -0.38 -4.88 115.64 118.50 1vj6 s THR 30 Ca 0.39 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 1vj6 s THR 30 Cb -0.17 -2.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1vj6 s THR 30 CO 0.13 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 1vj6 n GLY 31 N -0.98 2.00 0.00 6.08 0.00 -1.26 -1.69 105.19 109.34 1vj6 n GLY 31 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.00 0.04 -0.02 0.00 -0.98 -4.04 105.19 102.20 1vj6 n GLY 32 Ca 0.00 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.38 1vj6 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vj6 n VAL 33 N 1.88 1.43 -0.00 1.61 0.24 -0.06 -4.11 118.33 119.32 1vj6 n VAL 33 Ca 0.00 0.43 -0.03 0.00 -2.04 0.00 0.00 64.34 62.70 1vj6 n VAL 33 Cb 0.00 -1.35 -0.02 0.00 -1.47 0.00 0.00 33.84 31.00 1vj6 n VAL 33 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1vj6 h ASN 34 N 0.00 -0.38 0.00 -1.34 -1.24 -1.86 -3.34 115.58 107.42 1vj6 h ASN 34 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1vj6 h ASN 34 Cb 0.11 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1vj6 h ASN 34 CO 0.00 -0.11 0.00 0.35 -1.29 0.00 0.00 177.43 176.38 1vj6 n THR 35 N -3.20 0.00 0.14 -3.57 -2.24 -1.26 -4.87 114.28 99.28 1vj6 n THR 35 Ca -0.01 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.96 1vj6 n THR 35 Cb 0.08 -0.08 0.74 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.00 0.22 3.42 0.02 -1.89 -1.27 113.55 114.05 1vj6 h SER 36 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vj6 h SER 36 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1vj6 h SER 36 CO 0.00 0.00 -0.08 1.33 -1.14 0.00 0.00 176.83 176.94 1vj6 n VAL 37 N -3.50 0.00 -1.62 2.27 0.24 -1.26 -4.90 118.33 109.56 1vj6 n VAL 37 Ca 0.06 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 1vj6 n VAL 37 Cb 0.60 -0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 1vj6 n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vj6 n ARG 38 N -0.73 -0.67 -0.39 7.34 1.74 -0.48 -4.56 116.66 118.92 1vj6 n ARG 38 Ca 0.17 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1vj6 n ARG 38 Cb 0.27 -4.60 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1vj6 n HIS 39 N -3.24 -0.49 0.00 -1.55 -0.00 -1.25 -5.10 115.22 103.58 1vj6 n HIS 39 Ca -0.10 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1vj6 n HIS 39 Cb 0.41 -1.91 0.00 0.00 -0.12 0.00 0.00 29.99 28.37 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1vj6 n GLY 40 N -0.15 0.05 0.00 1.57 0.00 -1.26 -5.02 105.19 100.38 1vj6 n GLY 40 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 3.43 3.72 -0.02 0.00 -1.26 -4.83 105.19 106.23 1vj6 n GLY 41 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.99 4.02 0.05 -0.61 1.10 -0.99 -2.31 121.20 121.48 1vj6 s ILE 42 Ca 0.00 -1.33 0.02 0.00 -0.51 0.00 0.00 60.65 58.83 1vj6 s ILE 42 Cb 0.00 -3.05 -0.03 0.00 0.15 0.00 0.00 42.46 39.53 1vj6 s ILE 42 CO 0.00 -0.14 -0.07 -0.31 -2.11 0.00 0.00 174.94 172.31 1vj6 s TYR 43 N -1.80 0.66 0.02 3.50 1.51 -0.68 0.15 117.35 120.71 1vj6 s TYR 43 Ca 0.29 -0.63 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 1vj6 s TYR 43 Cb -0.09 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.32 1vj6 s TYR 43 CO 0.21 -0.13 0.98 0.08 -1.11 0.00 0.00 175.55 175.58 1vj6 s VAL 44 N -2.07 4.80 -0.21 0.71 1.01 -0.49 -1.25 120.40 122.90 1vj6 s VAL 44 Ca -0.05 2.05 -0.21 0.00 0.00 0.00 0.00 61.98 63.78 1vj6 s VAL 44 Cb -0.05 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.82 1vj6 s VAL 44 CO -0.02 0.18 0.20 1.17 0.00 0.00 0.00 175.10 176.63 1vj6 n LYS 45 N 3.74 0.58 -3.94 2.72 0.00 0.53 -2.22 118.16 119.56 1vj6 n LYS 45 Ca 0.06 0.55 -0.14 0.00 0.00 0.00 0.00 58.31 58.78 1vj6 n LYS 45 Cb 0.51 -1.74 -0.15 0.00 0.00 0.00 0.00 35.03 33.66 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 -2.38 0.16 -0.06 3.14 0.00 -1.24 -4.49 121.76 116.88 1vj6 s ALA 46 Ca -0.29 -0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1vj6 s ALA 46 Cb 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1vj6 s ALA 46 CO 0.60 0.01 0.33 0.42 0.00 0.00 0.00 175.76 177.12 1vj6 s ILE 47 N 0.18 5.19 0.19 0.00 -1.09 -1.26 -1.76 121.20 122.64 1vj6 s ILE 47 Ca -0.01 0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 59.03 1vj6 s ILE 47 Cb -0.03 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1vj6 s ILE 47 CO -0.00 0.54 0.42 0.27 -1.23 0.00 0.00 174.94 174.93 1vj6 s ILE 48 N -0.66 5.14 -1.49 2.92 -4.36 -1.03 -5.00 121.20 116.72 1vj6 s ILE 48 Ca 0.21 -0.08 -0.13 0.00 -0.26 0.00 0.00 60.65 60.39 1vj6 s ILE 48 Cb -0.15 -3.68 0.02 0.00 1.25 0.00 0.00 42.46 39.90 1vj6 s ILE 48 CO 0.09 -0.10 2.36 -0.81 0.24 0.00 0.00 174.94 176.72 1vj6 n PRO 49 N -0.36 3.01 0.00 0.37 -0.04 -1.26 -4.41 135.00 132.31 1vj6 n PRO 49 Ca -0.03 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1vj6 n PRO 49 Cb 0.53 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 5.63 0.00 0.00 0.54 4.76 -1.26 -5.16 118.16 122.67 1vj6 n LYS 50 Ca 0.57 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 1vj6 n LYS 50 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vj6 n GLY 51 N 3.50 -1.10 0.29 0.72 0.00 -1.26 -5.05 105.19 102.29 1vj6 n GLY 51 Ca 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 46.02 46.62 1vj6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 h ALA 52 N 2.00 -0.01 0.00 4.61 0.00 -1.84 0.91 119.26 124.93 1vj6 h ALA 52 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1vj6 h ALA 52 Cb 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1vj6 h ALA 52 CO 0.00 -0.63 -0.61 0.00 0.00 0.00 0.00 179.25 178.01 1vj6 h ALA 53 N 1.00 0.88 -0.41 0.00 0.00 -1.14 -2.58 119.26 117.01 1vj6 h ALA 53 Ca 0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1vj6 h ALA 53 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1vj6 h ALA 53 CO -0.52 0.77 -0.17 1.49 0.00 0.00 0.00 179.25 180.82 1vj6 h GLU 54 N 0.00 0.77 0.00 0.00 4.81 -1.44 -3.20 114.58 115.51 1vj6 h GLU 54 Ca -0.01 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1vj6 h GLU 54 Cb 1.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1vj6 h GLU 54 CO 0.08 0.89 0.00 0.43 -0.73 0.00 0.00 179.01 179.68 1vj6 n SER 55 N -4.14 0.00 0.00 1.04 7.64 0.18 -3.58 113.62 114.77 1vj6 n SER 55 Ca 0.01 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1vj6 n SER 55 Cb 0.40 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.09 0.00 0.00 6.43 2.03 -1.21 -5.04 116.55 117.68 1vj6 n ASP 56 Ca 0.10 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1vj6 n ASP 56 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 1.40 3.64 0.14 0.27 0.00 -1.23 -4.96 105.19 104.45 1vj6 n GLY 57 Ca 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -6.38 1.61 3.08 -1.91 -3.45 114.38 107.33 1vj6 h ARG 58 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1vj6 h ARG 58 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1vj6 h ARG 58 CO 0.00 0.00 0.63 0.42 -1.07 0.00 0.00 179.97 179.95 1vj6 s ILE 59 N -3.25 4.22 0.42 2.04 1.01 -1.26 -5.03 121.20 119.36 1vj6 s ILE 59 Ca 0.05 1.57 0.03 0.00 0.00 0.00 0.00 60.65 62.30 1vj6 s ILE 59 Cb 0.09 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 1vj6 s ILE 59 CO 0.71 0.05 0.12 1.41 0.00 0.00 0.00 174.94 177.23 1vj6 n HIS 60 N 4.67 0.31 -1.57 3.97 8.25 -1.26 -4.92 115.22 124.67 1vj6 n HIS 60 Ca 0.10 -2.57 -0.42 0.00 -0.26 0.00 0.00 57.72 54.57 1vj6 n HIS 60 Cb 0.47 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 1vj6 n HIS 60 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1vj6 n LYS 61 N -0.97 2.37 0.00 -0.41 5.02 -1.26 -3.42 118.16 119.50 1vj6 n LYS 61 Ca -0.08 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1vj6 n LYS 61 Cb 0.61 -3.18 0.00 0.00 -0.02 0.00 0.00 35.03 32.44 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 4.33 0.00 3.78 0.72 0.00 -0.94 -4.86 105.19 108.22 1vj6 n GLY 62 Ca 0.51 0.00 -0.32 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 5.06 -0.12 1.61 1.01 -1.22 -4.62 116.67 118.39 1vj6 s ASP 63 Ca 0.00 1.85 -0.17 0.00 0.71 0.00 0.00 52.55 54.94 1vj6 s ASP 63 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1vj6 s ASP 63 CO 0.00 -1.66 0.43 -0.60 0.21 0.00 0.00 175.17 173.55 1vj6 s ARG 64 N -4.51 4.31 -0.25 8.23 3.52 -0.68 -1.40 118.95 128.18 1vj6 s ARG 64 Ca 0.63 0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 56.45 1vj6 s ARG 64 Cb -0.18 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1vj6 s ARG 64 CO 0.48 0.19 0.34 0.08 -0.81 0.00 0.00 175.30 175.57 1vj6 s VAL 65 N 0.53 5.22 -0.17 7.11 1.01 0.12 0.05 120.40 134.28 1vj6 s VAL 65 Ca 0.24 0.52 0.11 0.00 0.00 0.00 0.00 61.98 62.84 1vj6 s VAL 65 Cb -0.15 -3.67 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 1vj6 s VAL 65 CO 0.09 0.22 -0.01 0.00 0.00 0.00 0.00 175.10 175.40 1vj6 n LEU 66 N 4.90 0.85 -3.72 3.92 -0.00 -0.08 -2.35 117.00 120.52 1vj6 n LEU 66 Ca -0.10 -0.03 -0.10 0.00 -0.00 0.00 0.00 56.01 55.78 1vj6 n LEU 66 Cb 0.51 0.08 -0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1vj6 n LEU 66 CO 0.37 0.52 0.06 0.00 -0.00 0.00 0.00 177.39 178.34 1vj6 s ALA 67 N -2.39 -0.66 -0.05 1.47 0.00 -1.04 -1.06 121.76 118.03 1vj6 s ALA 67 Ca -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1vj6 s ALA 67 Cb 0.05 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1vj6 s ALA 67 CO 0.60 -0.58 0.08 0.08 0.00 0.00 0.00 175.76 175.94 1vj6 s VAL 68 N -3.76 -0.12 -1.62 0.00 1.01 1.00 -0.14 120.40 116.78 1vj6 s VAL 68 Ca 0.03 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1vj6 s VAL 68 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.24 1vj6 s VAL 68 CO -0.11 0.14 0.05 -3.20 0.00 0.00 0.00 175.10 171.98 1vj6 n ASN 69 N 4.90 -5.51 -0.37 3.32 2.85 0.43 -0.59 115.26 120.29 1vj6 n ASN 69 Ca -0.12 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.30 1vj6 n ASN 69 Cb 0.50 -4.59 -0.02 0.00 1.24 0.00 0.00 39.78 36.92 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vj6 n GLY 70 N -1.01 0.69 3.05 8.20 0.00 -1.26 -4.96 105.19 109.90 1vj6 n GLY 70 Ca -0.22 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.18 2.07 0.54 1.61 1.01 0.25 -5.11 120.40 118.59 1vj6 s VAL 71 Ca 0.00 -1.59 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 1vj6 s VAL 71 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1vj6 s VAL 71 CO 0.00 -0.06 1.36 -0.44 0.00 0.00 0.00 175.10 175.97 1vj6 s SER 72 N 1.14 5.29 -1.49 3.32 0.01 -1.26 -0.00 113.70 120.71 1vj6 s SER 72 Ca -0.08 2.78 -0.12 0.00 1.31 0.00 0.00 55.95 59.84 1vj6 s SER 72 Cb -0.20 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.36 1vj6 s SER 72 CO -0.05 -1.56 2.55 0.18 0.41 0.00 0.00 173.24 174.77 1vj6 n LEU 73 N -1.00 7.56 -4.51 2.44 4.77 -0.22 -4.88 117.00 121.16 1vj6 n LEU 73 Ca 0.10 -4.15 -0.42 0.00 -0.03 0.00 0.00 56.01 51.52 1vj6 n LEU 73 Cb 0.45 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1vj6 n LEU 73 CO 0.53 1.48 1.03 -1.61 -1.33 0.00 0.00 177.39 177.49 1vj6 s GLU 74 N 2.81 3.21 0.00 3.23 2.02 -1.26 -3.18 118.70 125.53 1vj6 s GLU 74 Ca 0.58 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1vj6 s GLU 74 Cb 0.16 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 30.06 1vj6 s GLU 74 CO -0.07 -2.02 0.00 0.41 0.02 0.00 0.00 175.26 173.61 1vj6 n GLY 75 N 5.49 0.74 3.71 -1.39 0.00 -1.26 -5.03 105.19 107.44 1vj6 n GLY 75 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.46 3.28 0.33 4.61 0.00 -1.19 -4.81 121.76 121.53 1vj6 s ALA 76 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1vj6 s ALA 76 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1vj6 s ALA 76 CO 0.00 -0.37 0.00 0.25 0.00 0.00 0.00 175.76 175.64 1vj6 n THR 77 N 4.03 0.00 0.01 0.00 -2.24 -1.26 -0.88 114.28 113.94 1vj6 n THR 77 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1vj6 n THR 77 Cb 0.49 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.33 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 -0.17 -0.04 -0.18 4.78 2.76 -1.89 -0.86 115.15 119.56 1vj6 h HIS 78 Ca 0.00 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1vj6 h HIS 78 Cb 0.00 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1vj6 h HIS 78 CO 0.00 -0.03 -0.18 0.87 -1.30 0.00 0.00 177.93 177.29 1vj6 h LYS 79 N 0.00 0.44 -0.12 5.26 1.57 -1.95 -2.14 116.57 119.63 1vj6 h LYS 79 Ca 0.03 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 1vj6 h LYS 79 Cb 0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1vj6 h LYS 79 CO -0.07 0.80 -0.42 0.37 -0.57 0.00 0.00 179.45 179.56 1vj6 h GLN 80 N 0.09 0.28 -0.57 3.15 4.15 -1.93 -2.59 115.11 117.69 1vj6 h GLN 80 Ca 0.03 -0.14 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 1vj6 h GLN 80 Cb 0.72 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1vj6 h GLN 80 CO 0.04 0.66 -0.01 0.00 -1.93 0.00 0.00 178.83 177.59 1vj6 h ALA 81 N 1.33 0.90 0.03 3.38 0.00 -1.13 -1.31 119.26 122.46 1vj6 h ALA 81 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1vj6 h ALA 81 Cb 0.84 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1vj6 h ALA 81 CO 0.07 0.65 -0.18 0.28 0.00 0.00 0.00 179.25 180.06 1vj6 h VAL 82 N 0.91 0.56 -0.94 0.00 2.07 -1.21 -1.71 116.25 115.94 1vj6 h VAL 82 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1vj6 h VAL 82 Cb 0.54 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1vj6 h VAL 82 CO 0.03 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.89 1vj6 h GLU 83 N -0.32 1.05 0.00 1.57 5.08 -1.28 0.58 114.58 121.27 1vj6 h GLU 83 Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1vj6 h GLU 83 Cb 0.37 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1vj6 h GLU 83 CO -0.15 0.70 -0.11 1.15 -1.00 0.00 0.00 179.01 179.60 1vj6 h THR 84 N 1.08 0.95 0.12 1.13 2.02 -0.95 0.24 112.91 117.51 1vj6 h THR 84 Ca 0.41 -0.38 -0.36 0.00 0.77 0.00 0.00 66.41 66.85 1vj6 h THR 84 Cb 0.17 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1vj6 h THR 84 CO -0.17 0.10 -1.94 0.18 0.37 0.00 0.00 175.52 174.06 1vj6 n LEU 85 N -4.24 2.58 0.00 2.58 4.77 -0.67 -4.62 117.00 117.41 1vj6 n LEU 85 Ca -0.03 0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 1vj6 n LEU 85 Cb 0.18 -1.11 -0.11 0.00 -2.33 0.00 0.00 43.42 40.05 1vj6 n LEU 85 CO 0.34 0.81 0.27 -0.09 -1.33 0.00 0.00 177.39 177.39 1vj6 h ARG 86 N -0.01 0.41 -1.52 3.23 1.12 0.22 -3.36 114.38 114.47 1vj6 h ARG 86 Ca -0.42 -0.43 -0.26 0.00 -1.11 0.00 0.00 59.98 57.76 1vj6 h ARG 86 Cb 1.98 0.12 -0.12 0.00 -0.01 0.00 0.00 29.97 31.94 1vj6 h ARG 86 CO 0.07 1.09 0.34 -1.71 -3.11 0.00 0.00 179.97 176.64 1vj6 n ASN 87 N -4.23 5.87 -4.80 -3.80 5.15 0.06 -4.87 115.26 108.65 1vj6 n ASN 87 Ca -0.10 -2.91 -0.22 0.00 -0.60 0.00 0.00 54.58 50.74 1vj6 n ASN 87 Cb 0.66 -1.01 -0.05 0.00 -0.53 0.00 0.00 39.78 38.85 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 -1.83 3.05 0.00 -0.44 -4.23 -1.26 -4.99 115.64 105.94 1vj6 s THR 88 Ca 0.25 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1vj6 s THR 88 Cb 0.20 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1vj6 s THR 88 CO 0.00 -0.13 0.01 0.61 -0.54 0.00 0.00 174.62 174.58 1vj6 n GLY 89 N -1.30 0.56 1.89 3.99 0.00 -1.26 -5.02 105.19 104.05 1vj6 n GLY 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.05 0.00 -2.45 1.61 7.27 -1.26 -5.03 117.38 117.48 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 -0.04 -0.03 0.00 2.41 0.00 0.00 30.24 32.58 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 -1.75 4.21 -0.36 1.69 1.01 -1.26 -3.61 120.40 120.33 1vj6 s VAL 91 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 1vj6 s VAL 91 Cb 0.00 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1vj6 s VAL 91 CO 0.00 0.01 0.11 -0.69 0.00 0.00 0.00 175.10 174.53 1vj6 s VAL 92 N 2.09 3.08 -0.62 2.92 1.01 0.52 -4.87 120.40 124.53 1vj6 s VAL 92 Ca 0.57 -1.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 1vj6 s VAL 92 Cb -0.25 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1vj6 s VAL 92 CO 0.23 -0.45 1.10 -1.00 0.00 0.00 0.00 175.10 174.98 1vj6 s HIS 93 N 1.16 2.60 -0.27 5.22 3.76 -1.26 -0.97 115.29 125.54 1vj6 s HIS 93 Ca 0.03 0.05 -0.23 0.00 -0.15 0.00 0.00 55.06 54.76 1vj6 s HIS 93 Cb -0.21 -4.37 -0.01 0.00 1.11 0.00 0.00 32.58 29.10 1vj6 s HIS 93 CO -0.03 -1.63 0.77 -0.51 -0.85 0.00 0.00 174.74 172.49 1vj6 s LEU 94 N 4.68 4.08 -0.59 0.89 1.43 0.19 -0.43 118.68 128.93 1vj6 s LEU 94 Ca 0.34 0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 54.03 1vj6 s LEU 94 Cb -0.10 -3.06 0.07 0.00 0.03 0.00 0.00 46.19 43.12 1vj6 s LEU 94 CO 0.19 -0.53 0.86 -0.22 0.23 0.00 0.00 176.35 176.88 1vj6 s LEU 95 N 2.82 4.57 -0.03 1.79 0.20 0.81 -1.13 118.68 127.70 1vj6 s LEU 95 Ca 0.32 -0.88 -0.03 0.00 0.69 0.00 0.00 54.13 54.23 1vj6 s LEU 95 Cb -0.15 -2.51 -0.04 0.00 -0.43 0.00 0.00 46.19 43.06 1vj6 s LEU 95 CO 0.10 -1.24 0.13 -0.76 -0.29 0.00 0.00 176.35 174.30 1vj6 s LEU 96 N 3.56 4.18 -0.13 -0.68 1.43 -0.05 -0.90 118.68 126.10 1vj6 s LEU 96 Ca 0.21 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1vj6 s LEU 96 Cb -0.17 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 1vj6 s LEU 96 CO 0.12 0.30 -0.07 -0.70 0.23 0.00 0.00 176.35 176.23 1vj6 s GLU 97 N -1.66 3.38 -0.11 1.70 2.12 0.11 -1.12 118.70 123.12 1vj6 s GLU 97 Ca 0.23 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1vj6 s GLU 97 Cb -0.12 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 1vj6 s GLU 97 CO 0.14 0.33 1.29 0.21 -0.54 0.00 0.00 175.26 176.68 1vj6 s LYS 98 N 0.10 4.26 -1.47 4.30 2.47 0.27 -1.69 119.74 127.99 1vj6 s LYS 98 Ca -0.03 1.73 -0.13 0.00 -1.56 0.00 0.00 55.97 55.98 1vj6 s LYS 98 Cb -0.14 -3.71 0.03 0.00 -1.46 0.00 0.00 37.83 32.55 1vj6 s LYS 98 CO 0.03 -0.64 2.32 0.41 0.16 0.00 0.00 175.35 177.64 1vj6 n GLY 99 N 3.59 4.44 3.17 5.54 0.00 -1.26 -2.47 105.19 118.20 1vj6 n GLY 99 Ca 0.13 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 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 2.70 0.82 -0.17 1.61 -1.52 -1.26 -4.92 119.66 116.91 1vj6 s GLN 100 Ca 0.50 -0.97 -0.11 0.00 -1.95 0.00 0.00 55.36 52.83 1vj6 s GLN 100 Cb 0.14 -0.78 -0.05 0.00 -0.22 0.00 0.00 33.01 32.10 1vj6 s GLN 100 CO -0.08 0.17 0.19 0.54 -0.25 0.00 0.00 175.29 175.87 1vj6 s VAL 101 N -1.40 5.38 -2.00 1.09 0.11 -1.26 -3.18 120.40 119.14 1vj6 s VAL 101 Ca -0.01 0.33 0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1vj6 s VAL 101 Cb -0.09 -3.52 0.21 0.00 -1.53 0.00 0.00 36.38 31.44 1vj6 s VAL 101 CO 0.02 0.46 0.90 -2.65 -3.33 0.00 0.00 175.10 170.49