#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 0.23 0.77 2.12 1.02 -1.26 -5.15 119.74 117.47 1vj6 s LYS 9 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 55.97 55.44 1vj6 s LYS 9 Cb 0.00 0.05 0.05 0.00 -0.52 0.00 0.00 37.83 37.42 1vj6 s LYS 9 CO 0.00 -0.03 1.09 -1.25 -0.92 0.00 0.00 175.35 174.24 1vj6 s PRO 10 N -1.02 2.30 -1.20 -1.68 0.04 -1.26 -4.12 135.00 128.06 1vj6 s PRO 10 Ca -0.11 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 1vj6 s PRO 10 Cb -0.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1vj6 s PRO 10 CO -0.01 -1.50 0.05 0.41 0.04 0.00 0.00 177.00 176.00 1vj6 n GLY 11 N -2.02 -0.21 3.56 0.56 0.00 -1.26 -5.01 105.19 100.81 1vj6 n GLY 11 Ca 0.07 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 5.10 -0.06 1.61 -1.08 -1.26 -5.06 116.67 113.51 1vj6 s ASP 12 Ca 0.03 -0.03 0.04 0.00 -0.52 0.00 0.00 52.55 52.07 1vj6 s ASP 12 Cb -0.01 -1.80 -0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1vj6 s ASP 12 CO 0.03 0.20 -0.18 0.42 0.52 0.00 0.00 175.17 176.16 1vj6 s THR 13 N 0.21 1.56 -0.23 1.71 -4.23 -1.26 -2.56 115.64 110.83 1vj6 s THR 13 Ca 0.00 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1vj6 s THR 13 Cb -0.13 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1vj6 s THR 13 CO 0.02 0.45 -0.07 0.72 -0.54 0.00 0.00 174.62 175.20 1vj6 s PHE 14 N 0.14 2.98 -0.83 3.99 -0.71 -0.05 -4.98 117.98 118.52 1vj6 s PHE 14 Ca -0.07 -1.27 -0.17 0.00 -1.04 0.00 0.00 56.93 54.38 1vj6 s PHE 14 Cb -0.13 -2.07 0.16 0.00 -1.21 0.00 0.00 43.02 39.77 1vj6 s PHE 14 CO 0.03 -0.65 0.92 -1.21 -1.34 0.00 0.00 175.22 172.97 1vj6 s GLU 15 N 1.40 3.49 -0.13 1.99 8.01 -1.26 -1.33 118.70 130.87 1vj6 s GLU 15 Ca 0.04 -1.92 -0.21 0.00 0.01 0.00 0.00 54.97 52.89 1vj6 s GLU 15 Cb -0.15 -4.61 -0.04 0.00 -4.31 0.00 0.00 34.13 25.03 1vj6 s GLU 15 CO -0.05 -1.56 0.59 0.08 0.01 0.00 0.00 175.26 174.33 1vj6 s VAL 16 N 1.80 5.09 -0.22 2.63 1.01 -0.26 -4.87 120.40 125.58 1vj6 s VAL 16 Ca 0.23 1.17 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 1vj6 s VAL 16 Cb -0.11 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1vj6 s VAL 16 CO -0.06 0.24 0.01 -0.70 0.00 0.00 0.00 175.10 174.59 1vj6 s GLU 17 N 1.08 3.59 0.19 2.72 -6.30 -1.26 0.75 118.70 119.47 1vj6 s GLU 17 Ca 0.30 -0.52 0.08 0.00 -2.50 0.00 0.00 54.97 52.33 1vj6 s GLU 17 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 34.13 30.78 1vj6 s GLU 17 CO 0.13 -0.08 -0.16 -0.51 0.02 0.00 0.00 175.26 174.65 1vj6 s LEU 18 N 1.26 2.50 -0.26 2.70 1.43 -0.30 -4.97 118.68 121.04 1vj6 s LEU 18 Ca 0.04 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1vj6 s LEU 18 Cb -0.15 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.36 1vj6 s LEU 18 CO 0.01 -0.10 -0.06 0.00 0.23 0.00 0.00 176.35 176.43 1vj6 s ALA 19 N -2.51 2.69 0.22 4.21 0.00 -1.26 -0.69 121.76 124.41 1vj6 s ALA 19 Ca 0.19 -1.58 -0.32 0.00 0.00 0.00 0.00 51.96 50.25 1vj6 s ALA 19 Cb -0.03 -1.71 -0.13 0.00 0.00 0.00 0.00 23.12 21.24 1vj6 s ALA 19 CO 0.07 -0.97 1.54 0.36 0.00 0.00 0.00 175.76 176.76 1vj6 n LYS 20 N 4.62 2.28 -3.36 0.00 2.85 -1.24 -4.84 118.16 118.46 1vj6 n LYS 20 Ca -0.15 0.82 -0.43 0.00 -1.05 0.00 0.00 58.31 57.49 1vj6 n LYS 20 Cb 0.45 -2.56 -0.09 0.00 -0.65 0.00 0.00 35.03 32.18 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 0.46 5.14 -1.29 0.58 -1.32 -0.21 -4.38 115.64 114.62 1vj6 s THR 21 Ca 0.72 -0.44 -0.15 0.00 -1.21 0.00 0.00 61.69 60.62 1vj6 s THR 21 Cb -0.62 -4.00 0.01 0.00 -1.51 0.00 0.00 72.50 66.38 1vj6 s THR 21 CO 0.43 -0.38 0.55 0.47 -2.21 0.00 0.00 174.62 173.47 1vj6 n ASP 22 N 5.46 -2.62 -2.12 8.08 8.00 -1.26 -3.33 116.55 128.76 1vj6 n ASP 22 Ca -0.08 -1.11 -0.08 0.00 0.71 0.00 0.00 54.79 54.23 1vj6 n ASP 22 Cb 0.47 -2.68 0.04 0.00 -0.02 0.00 0.00 41.12 38.94 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vj6 n GLY 23 N -1.99 0.07 3.16 0.44 0.00 -1.26 -5.03 105.19 100.57 1vj6 n GLY 23 Ca -0.20 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.56 -0.12 0.01 1.61 1.04 -1.21 -5.02 113.70 106.45 1vj6 s SER 24 Ca 0.03 0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.29 1vj6 s SER 24 Cb -0.00 1.10 -0.17 0.00 0.10 0.00 0.00 66.02 67.05 1vj6 s SER 24 CO 0.33 -0.02 1.29 -0.07 0.98 0.00 0.00 173.24 175.75 1vj6 h LEU 25 N 7.86 -0.27 0.00 2.42 3.38 -1.90 -0.54 115.31 126.25 1vj6 h LEU 25 Ca -0.11 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1vj6 h LEU 25 Cb 1.17 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1vj6 h LEU 25 CO -0.18 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1vj6 n GLY 26 N -0.31 0.60 3.15 0.83 0.00 -1.26 -0.64 105.19 107.56 1vj6 n GLY 26 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.60 1.40 -0.25 -0.61 -4.36 -1.26 -1.77 121.20 113.75 1vj6 s ILE 27 Ca 0.00 -0.73 -0.22 0.00 -0.26 0.00 0.00 60.65 59.43 1vj6 s ILE 27 Cb 0.00 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.51 1vj6 s ILE 27 CO 0.00 0.40 0.73 -0.44 0.24 0.00 0.00 174.94 175.87 1vj6 s SER 28 N -0.18 6.70 0.17 4.36 0.01 -0.72 -5.02 113.70 119.02 1vj6 s SER 28 Ca 0.01 0.86 -0.24 0.00 1.31 0.00 0.00 55.95 57.89 1vj6 s SER 28 Cb -0.09 -2.39 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 1vj6 s SER 28 CO 0.01 -0.45 0.76 0.68 0.41 0.00 0.00 173.24 174.64 1vj6 s VAL 29 N 2.69 4.42 0.32 3.43 -7.23 -1.26 -0.90 120.40 121.86 1vj6 s VAL 29 Ca 0.31 1.62 0.06 0.00 -1.81 0.00 0.00 61.98 62.16 1vj6 s VAL 29 Cb -0.15 -4.09 -0.03 0.00 0.56 0.00 0.00 36.38 32.67 1vj6 s VAL 29 CO 0.08 0.48 0.26 0.28 -0.31 0.00 0.00 175.10 175.90 1vj6 s THR 30 N -1.20 0.00 0.00 5.32 -1.32 0.20 -4.79 115.64 113.85 1vj6 s THR 30 Ca 0.36 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1vj6 s THR 30 Cb -0.22 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 1vj6 s THR 30 CO 0.25 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.27 1vj6 n GLY 31 N -0.58 1.80 0.00 6.08 0.00 -1.26 -0.66 105.19 110.57 1vj6 n GLY 31 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.17 0.33 -0.02 0.00 -1.00 -4.03 105.19 99.30 1vj6 n GLY 32 Ca 0.00 -1.59 0.22 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.03 0.00 1.61 3.04 -1.13 -1.18 116.25 118.63 1vj6 h VAL 33 Ca 0.00 -0.09 -0.03 0.00 -1.01 0.00 0.00 66.70 65.57 1vj6 h VAL 33 Cb 0.00 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1vj6 h VAL 33 CO 0.00 0.00 -0.15 -1.13 -1.01 0.00 0.00 177.57 175.28 1vj6 h ASN 34 N 0.00 0.00 -2.32 3.17 -0.73 -1.81 -3.43 115.58 110.47 1vj6 h ASN 34 Ca -0.00 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.68 1vj6 h ASN 34 Cb 0.08 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1vj6 h ASN 34 CO 0.00 0.15 -0.45 -0.89 -0.37 0.00 0.00 177.43 175.88 1vj6 s THR 35 N -3.56 5.24 -1.38 -3.57 2.01 -0.44 -5.01 115.64 108.93 1vj6 s THR 35 Ca 0.02 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 1vj6 s THR 35 Cb 0.09 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1vj6 s THR 35 CO 0.62 -0.25 2.33 -1.54 -0.69 0.00 0.00 174.62 175.09 1vj6 n SER 36 N -1.11 4.73 -1.57 3.53 3.41 -1.26 -4.78 113.62 116.57 1vj6 n SER 36 Ca -0.08 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1vj6 n SER 36 Cb 0.56 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1vj6 n VAL 37 N 4.87 0.00 -0.74 -3.33 0.24 -1.26 -4.94 118.33 113.17 1vj6 n VAL 37 Ca 0.57 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.80 1vj6 n VAL 37 Cb 0.35 -1.51 -0.06 0.00 -1.47 0.00 0.00 33.84 31.15 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 -0.06 1.45 -2.89 7.34 5.12 -1.26 -4.74 116.66 121.62 1vj6 n ARG 38 Ca 0.00 -0.54 -0.19 0.00 -1.93 0.00 0.00 57.85 55.19 1vj6 n ARG 38 Cb 0.00 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 1vj6 n ARG 38 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1vj6 n HIS 39 N 1.75 -1.64 0.00 -1.55 8.25 -1.26 -4.81 115.22 115.96 1vj6 n HIS 39 Ca 0.19 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 1vj6 n HIS 39 Cb 0.65 -3.34 0.00 0.00 1.12 0.00 0.00 29.99 28.42 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 -1.12 3.27 0.00 -1.41 0.00 -1.26 -4.41 105.19 100.25 1vj6 n GLY 40 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 4.12 3.77 -0.02 0.00 -1.15 -4.87 105.19 107.03 1vj6 n GLY 41 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.07 4.25 0.08 -0.61 1.10 -0.85 -2.37 121.20 121.74 1vj6 s ILE 42 Ca 0.00 -1.28 0.02 0.00 -0.51 0.00 0.00 60.65 58.88 1vj6 s ILE 42 Cb 0.00 -3.20 -0.04 0.00 0.15 0.00 0.00 42.46 39.37 1vj6 s ILE 42 CO 0.00 -0.18 -0.07 -0.31 -2.11 0.00 0.00 174.94 172.27 1vj6 s TYR 43 N -1.88 0.83 -0.05 3.50 1.51 0.17 0.28 117.35 121.71 1vj6 s TYR 43 Ca 0.31 -0.82 -0.23 0.00 -1.01 0.00 0.00 57.07 55.33 1vj6 s TYR 43 Cb -0.09 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1vj6 s TYR 43 CO 0.23 -0.14 0.67 0.08 -1.11 0.00 0.00 175.55 175.27 1vj6 s VAL 44 N -3.08 5.01 -0.20 0.71 1.01 -0.94 -0.63 120.40 122.27 1vj6 s VAL 44 Ca 0.06 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.38 1vj6 s VAL 44 Cb 0.02 -4.01 -0.21 0.00 0.00 0.00 0.00 36.38 32.18 1vj6 s VAL 44 CO -0.04 0.30 0.04 1.17 0.00 0.00 0.00 175.10 176.57 1vj6 n LYS 45 N 3.49 0.69 -3.79 2.72 0.00 -0.07 -3.75 118.16 117.44 1vj6 n LYS 45 Ca -0.03 0.23 -0.13 0.00 0.00 0.00 0.00 58.31 58.39 1vj6 n LYS 45 Cb 0.51 -1.61 -0.13 0.00 0.00 0.00 0.00 35.03 33.80 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 -2.52 -0.38 -0.10 3.14 0.00 -1.23 -4.79 121.76 115.88 1vj6 s ALA 46 Ca -0.30 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 1vj6 s ALA 46 Cb 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1vj6 s ALA 46 CO 0.66 -0.11 0.24 0.42 0.00 0.00 0.00 175.76 176.97 1vj6 s ILE 47 N 0.53 5.33 0.09 0.00 -1.09 -1.26 -1.76 121.20 123.04 1vj6 s ILE 47 Ca -0.04 0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 58.53 1vj6 s ILE 47 Cb -0.05 -3.54 -0.06 0.00 -1.58 0.00 0.00 42.46 37.24 1vj6 s ILE 47 CO -0.03 0.55 1.07 -0.63 -1.23 0.00 0.00 174.94 174.67 1vj6 s ILE 48 N -0.65 4.29 -0.78 2.92 1.01 -0.73 -4.97 121.20 122.29 1vj6 s ILE 48 Ca 0.17 1.78 -0.25 0.00 0.00 0.00 0.00 60.65 62.35 1vj6 s ILE 48 Cb -0.13 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1vj6 s ILE 48 CO 0.06 0.22 1.95 -2.16 0.00 0.00 0.00 174.94 175.01 1vj6 s PRO 49 N 0.41 2.52 0.00 2.79 0.04 -1.26 -3.48 135.00 136.02 1vj6 s PRO 49 Ca 0.52 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1vj6 s PRO 49 Cb -0.26 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1vj6 s PRO 49 CO 0.31 -3.20 0.00 1.63 0.04 0.00 0.00 177.00 175.78 1vj6 n LYS 50 N 8.98 0.00 -2.85 4.56 4.76 -1.26 -5.11 118.16 127.24 1vj6 n LYS 50 Ca 0.33 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.59 1vj6 n LYS 50 Cb 0.49 -1.89 0.06 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.02 1.94 0.37 0.72 0.00 -1.23 -4.96 105.19 101.02 1vj6 n GLY 51 Ca 0.00 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.88 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 0.13 1.59 0.38 4.61 0.00 -1.38 -1.39 119.26 123.20 1vj6 h ALA 52 Ca -0.25 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1vj6 h ALA 52 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1vj6 h ALA 52 CO 0.36 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 1vj6 h ALA 53 N 1.55 -0.51 0.00 0.00 0.00 -1.19 -2.46 119.26 116.66 1vj6 h ALA 53 Ca 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1vj6 h ALA 53 Cb 0.50 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vj6 h ALA 53 CO -0.23 -0.78 -0.12 1.49 0.00 0.00 0.00 179.25 179.60 1vj6 h GLU 54 N -0.52 0.00 0.00 0.00 4.57 -1.71 -1.60 114.58 115.32 1vj6 h GLU 54 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1vj6 h GLU 54 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1vj6 h GLU 54 CO 0.09 0.12 0.00 1.03 -1.18 0.00 0.00 179.01 179.07 1vj6 h SER 55 N 0.00 0.00 0.00 1.04 0.87 -0.82 -2.72 113.55 111.92 1vj6 h SER 55 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vj6 h SER 55 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1vj6 h SER 55 CO 0.02 0.00 0.00 -0.67 -0.53 0.00 0.00 176.83 175.65 1vj6 n ASP 56 N -2.89 0.00 0.00 6.23 2.03 -0.66 -4.98 116.55 116.28 1vj6 n ASP 56 Ca 0.01 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.97 1vj6 n ASP 56 Cb 0.29 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.69 0.76 0.20 0.27 0.00 -0.89 -4.90 105.19 101.32 1vj6 n GLY 57 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 3.67 0.00 -7.09 1.61 3.08 -1.87 -3.44 114.38 110.34 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 0.13 0.00 0.08 0.00 0.00 29.97 30.18 1vj6 h ARG 58 CO 0.00 0.00 0.51 0.96 -1.07 0.00 0.00 179.97 180.37 1vj6 s ILE 59 N -3.21 2.36 0.00 2.04 -4.36 -1.26 -5.08 121.20 111.70 1vj6 s ILE 59 Ca 0.07 0.24 0.00 0.00 -0.26 0.00 0.00 60.65 60.70 1vj6 s ILE 59 Cb 0.06 -3.10 0.00 0.00 1.25 0.00 0.00 42.46 40.67 1vj6 s ILE 59 CO 0.67 -0.04 0.00 0.00 0.24 0.00 0.00 174.94 175.81 1vj6 n HIS 60 N -1.56 0.00 -1.14 1.37 1.44 -1.26 -5.04 115.22 109.04 1vj6 n HIS 60 Ca 0.14 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.65 1vj6 n HIS 60 Cb 0.48 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.56 1vj6 n HIS 60 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1vj6 n LYS 61 N 0.00 2.03 0.00 -1.40 5.02 -1.26 -3.87 118.16 118.68 1vj6 n LYS 61 Ca 0.00 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 1vj6 n LYS 61 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 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 0.90 0.00 3.86 0.72 0.00 -1.25 -4.75 105.19 104.67 1vj6 n GLY 62 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.01 5.83 -0.22 1.61 1.01 -1.25 -4.20 116.67 119.44 1vj6 s ASP 63 Ca 0.00 1.40 -0.08 0.00 0.71 0.00 0.00 52.55 54.58 1vj6 s ASP 63 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1vj6 s ASP 63 CO 0.00 -1.12 0.08 -0.60 0.21 0.00 0.00 175.17 173.74 1vj6 s ARG 64 N -5.18 3.85 -0.31 8.23 3.52 -0.60 -2.22 118.95 126.24 1vj6 s ARG 64 Ca 0.56 -0.39 -0.23 0.00 -0.13 0.00 0.00 55.73 55.54 1vj6 s ARG 64 Cb -0.12 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1vj6 s ARG 64 CO 0.54 0.03 0.76 0.08 -0.81 0.00 0.00 175.30 175.90 1vj6 s VAL 65 N 1.06 4.82 -0.22 7.11 1.01 0.14 0.36 120.40 134.68 1vj6 s VAL 65 Ca 0.05 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.23 1vj6 s VAL 65 Cb -0.14 -4.12 -0.21 0.00 0.00 0.00 0.00 36.38 31.91 1vj6 s VAL 65 CO 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 175.10 174.85 1vj6 n LEU 66 N 6.14 1.86 -3.77 3.92 -0.00 -0.06 -2.01 117.00 123.08 1vj6 n LEU 66 Ca 0.03 -0.05 -0.12 0.00 -0.00 0.00 0.00 56.01 55.87 1vj6 n LEU 66 Cb 0.48 -0.40 -0.08 0.00 -0.00 0.00 0.00 43.42 43.43 1vj6 n LEU 66 CO 0.49 0.76 0.00 0.00 -0.00 0.00 0.00 177.39 178.65 1vj6 s ALA 67 N -2.52 -0.63 -0.07 1.47 0.00 -1.07 -1.09 121.76 117.85 1vj6 s ALA 67 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 1vj6 s ALA 67 Cb 0.08 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1vj6 s ALA 67 CO 0.70 -0.38 -0.01 0.08 0.00 0.00 0.00 175.76 176.15 1vj6 s VAL 68 N -2.39 0.43 -1.76 0.00 1.01 0.99 -0.21 120.40 118.47 1vj6 s VAL 68 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1vj6 s VAL 68 Cb -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1vj6 s VAL 68 CO -0.02 0.26 0.00 -3.20 0.00 0.00 0.00 175.10 172.14 1vj6 n ASN 69 N 4.99 -5.05 0.00 3.32 5.15 0.45 -0.50 115.26 123.62 1vj6 n ASN 69 Ca -0.10 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1vj6 n ASN 69 Cb 0.50 -4.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.69 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vj6 n GLY 70 N -0.90 0.44 3.08 8.20 0.00 -1.26 -4.99 105.19 109.76 1vj6 n GLY 70 Ca -0.17 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 2.18 0.40 1.61 1.01 0.34 -5.10 120.40 118.84 1vj6 s VAL 71 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.12 1vj6 s VAL 71 Cb 0.00 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 1vj6 s VAL 71 CO 0.00 0.01 1.38 -1.20 0.00 0.00 0.00 175.10 175.29 1vj6 n SER 72 N 4.45 3.17 -1.93 3.32 7.64 -1.26 -0.01 113.62 129.00 1vj6 n SER 72 Ca -0.14 1.17 -0.11 0.00 1.01 0.00 0.00 58.87 60.80 1vj6 n SER 72 Cb 0.43 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 61.95 1vj6 n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1vj6 n LEU 73 N 0.33 5.39 -4.63 -3.43 4.77 -0.25 -4.89 117.00 114.29 1vj6 n LEU 73 Ca 0.04 -3.09 -0.43 0.00 -0.03 0.00 0.00 56.01 52.50 1vj6 n LEU 73 Cb 0.39 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1vj6 n LEU 73 CO 0.61 1.54 0.86 -0.70 -1.33 0.00 0.00 177.39 178.37 1vj6 s GLU 74 N 0.50 4.06 -0.18 3.23 2.12 -1.26 -2.94 118.70 124.23 1vj6 s GLU 74 Ca 0.51 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.82 1vj6 s GLU 74 Cb 0.26 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1vj6 s GLU 74 CO -0.02 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1vj6 n GLY 75 N 3.89 0.43 3.75 -1.50 0.00 -1.26 -4.99 105.19 105.51 1vj6 n GLY 75 Ca 0.10 -0.12 -0.38 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 -1.71 3.53 0.00 4.61 0.00 -1.16 -4.88 121.76 122.15 1vj6 s ALA 76 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1vj6 s ALA 76 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1vj6 s ALA 76 CO 0.00 0.13 0.00 -2.37 0.00 0.00 0.00 175.76 173.52 1vj6 n THR 77 N 3.15 0.00 0.10 0.00 5.66 -1.26 -0.78 114.28 121.15 1vj6 n THR 77 Ca -0.09 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 1vj6 n THR 77 Cb 0.52 -0.48 -0.06 0.00 -1.55 0.00 0.00 70.33 68.76 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 0.26 -0.33 -0.18 1.09 -0.00 -1.93 0.14 115.15 114.20 1vj6 h HIS 78 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 1vj6 h HIS 78 Cb 0.00 0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1vj6 h HIS 78 CO 0.00 -0.19 -0.25 -0.22 -0.00 0.00 0.00 177.93 177.27 1vj6 h LYS 79 N -0.27 0.49 -0.68 5.26 3.64 -2.00 -2.44 116.57 120.58 1vj6 h LYS 79 Ca 0.01 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1vj6 h LYS 79 Cb 0.27 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1vj6 h LYS 79 CO -0.05 0.88 0.21 0.37 -2.27 0.00 0.00 179.45 178.59 1vj6 h GLN 80 N 0.15 1.05 -0.80 1.90 -0.00 -1.94 -2.17 115.11 113.29 1vj6 h GLN 80 Ca 0.02 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.42 1vj6 h GLN 80 Cb 0.82 -0.16 -0.04 0.00 0.00 0.00 0.00 27.48 28.11 1vj6 h GLN 80 CO 0.06 0.89 0.35 0.00 0.00 0.00 0.00 178.83 180.13 1vj6 h ALA 81 N 1.22 1.04 0.34 3.38 0.00 -0.63 -0.46 119.26 124.14 1vj6 h ALA 81 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1vj6 h ALA 81 Cb 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1vj6 h ALA 81 CO -0.01 0.64 -0.24 0.28 0.00 0.00 0.00 179.25 179.92 1vj6 h VAL 82 N 1.15 0.50 -0.98 0.00 2.07 -1.28 -1.97 116.25 115.74 1vj6 h VAL 82 Ca 0.27 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.01 1vj6 h VAL 82 Cb 0.17 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 1vj6 h VAL 82 CO -0.03 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 178.11 1vj6 h GLU 83 N -0.57 0.51 -0.03 1.57 4.81 -1.14 0.52 114.58 120.25 1vj6 h GLU 83 Ca -0.03 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1vj6 h GLU 83 Cb 0.48 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1vj6 h GLU 83 CO 0.01 0.34 -0.62 1.15 -0.73 0.00 0.00 179.01 179.17 1vj6 h THR 84 N 0.53 1.42 0.11 0.32 2.02 -0.84 -2.44 112.91 114.02 1vj6 h THR 84 Ca 0.55 -2.06 -0.35 0.00 0.77 0.00 0.00 66.41 65.32 1vj6 h THR 84 Cb 1.18 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 1vj6 h THR 84 CO -0.29 0.60 -1.87 -0.07 0.37 0.00 0.00 175.52 174.26 1vj6 h LEU 85 N 0.09 0.38 0.10 2.58 3.38 -0.46 -3.43 115.31 117.94 1vj6 h LEU 85 Ca -0.01 -0.76 -0.20 0.00 0.09 0.00 0.00 57.88 57.01 1vj6 h LEU 85 Cb 1.11 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1vj6 h LEU 85 CO 0.09 1.67 -0.95 -0.09 0.09 0.00 0.00 178.44 179.25 1vj6 h ARG 86 N 0.07 0.21 -1.33 1.13 1.12 -0.07 -3.36 114.38 112.15 1vj6 h ARG 86 Ca -0.37 -0.36 -0.35 0.00 -1.11 0.00 0.00 59.98 57.79 1vj6 h ARG 86 Cb 2.04 0.14 -0.16 0.00 -0.01 0.00 0.00 29.97 31.97 1vj6 h ARG 86 CO 0.11 1.17 0.45 -1.71 -3.11 0.00 0.00 179.97 176.88 1vj6 n ASN 87 N -4.14 5.77 -4.79 -3.80 5.15 -0.92 -4.93 115.26 107.59 1vj6 n ASN 87 Ca -0.19 -3.08 -0.24 0.00 -0.60 0.00 0.00 54.58 50.47 1vj6 n ASN 87 Cb 0.79 -0.95 0.08 0.00 -0.53 0.00 0.00 39.78 39.17 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 -2.41 2.33 -0.41 -0.44 -4.23 -1.26 -4.98 115.64 104.24 1vj6 s THR 88 Ca 0.34 -0.50 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 1vj6 s THR 88 Cb 0.27 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 71.21 1vj6 s THR 88 CO 0.01 0.00 3.10 0.61 -0.54 0.00 0.00 174.62 177.80 1vj6 n GLY 89 N -2.76 3.87 5.00 3.99 0.00 -1.26 -4.84 105.19 109.19 1vj6 n GLY 89 Ca 0.11 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 1.76 0.00 -2.55 1.61 -0.06 -1.26 -4.87 117.38 112.02 1vj6 n GLN 90 Ca 0.49 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 55.07 1vj6 n GLN 90 Cb 0.66 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.81 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 4.42 -0.34 1.69 1.01 -1.26 -3.65 120.40 122.27 1vj6 s VAL 91 Ca 0.00 1.73 0.04 0.00 0.00 0.00 0.00 61.98 63.75 1vj6 s VAL 91 Cb 0.00 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.37 1vj6 s VAL 91 CO 0.00 0.09 0.05 -0.69 0.00 0.00 0.00 175.10 174.55 1vj6 s VAL 92 N 1.40 2.27 -0.76 2.92 1.01 0.13 -4.88 120.40 122.50 1vj6 s VAL 92 Ca 0.55 -2.33 -0.25 0.00 0.00 0.00 0.00 61.98 59.95 1vj6 s VAL 92 Cb -0.25 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.50 1vj6 s VAL 92 CO 0.26 -0.59 1.22 -2.28 0.00 0.00 0.00 175.10 173.71 1vj6 s HIS 93 N 0.91 2.43 -0.40 5.22 2.46 -1.26 -1.15 115.29 123.50 1vj6 s HIS 93 Ca 0.11 -0.31 -0.23 0.00 0.47 0.00 0.00 55.06 55.09 1vj6 s HIS 93 Cb -0.19 -4.55 0.02 0.00 -0.13 0.00 0.00 32.58 27.73 1vj6 s HIS 93 CO -0.08 -1.94 0.80 -0.51 -2.47 0.00 0.00 174.74 170.54 1vj6 s LEU 94 N 5.14 4.15 -0.67 8.88 1.43 0.23 -0.42 118.68 137.43 1vj6 s LEU 94 Ca 0.33 0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 53.39 1vj6 s LEU 94 Cb -0.09 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.17 1vj6 s LEU 94 CO 0.10 -0.81 1.03 -0.22 0.23 0.00 0.00 176.35 176.68 1vj6 s LEU 95 N 3.21 4.11 -0.12 1.79 0.20 0.71 -1.10 118.68 127.48 1vj6 s LEU 95 Ca 0.31 -0.82 -0.04 0.00 0.69 0.00 0.00 54.13 54.28 1vj6 s LEU 95 Cb -0.13 -2.49 -0.03 0.00 -0.43 0.00 0.00 46.19 43.11 1vj6 s LEU 95 CO 0.19 -1.51 0.02 -0.76 -0.29 0.00 0.00 176.35 174.01 1vj6 s LEU 96 N 4.40 3.67 0.23 -0.68 1.43 -0.44 -0.89 118.68 126.40 1vj6 s LEU 96 Ca 0.25 0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1vj6 s LEU 96 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1vj6 s LEU 96 CO 0.12 0.32 0.11 -1.61 0.23 0.00 0.00 176.35 175.52 1vj6 s GLU 97 N -0.53 2.69 0.16 1.70 2.02 0.16 -0.87 118.70 124.03 1vj6 s GLU 97 Ca 0.09 -1.11 -0.34 0.00 0.02 0.00 0.00 54.97 53.63 1vj6 s GLU 97 Cb -0.12 -2.45 -0.15 0.00 0.10 0.00 0.00 34.13 31.51 1vj6 s GLU 97 CO 0.02 0.42 1.40 0.36 0.02 0.00 0.00 175.26 177.48 1vj6 n LYS 98 N -0.79 1.67 -0.36 1.61 0.00 -1.06 -1.55 118.16 117.67 1vj6 n LYS 98 Ca -0.08 0.60 0.06 0.00 -0.00 0.00 0.00 58.31 58.89 1vj6 n LYS 98 Cb 0.57 -2.26 0.22 0.00 -0.00 0.00 0.00 35.03 33.56 1vj6 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vj6 n GLY 99 N 2.66 1.66 3.33 2.58 0.00 -1.26 -4.47 105.19 109.69 1vj6 n GLY 99 Ca 0.16 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.69 3.41 0.59 1.61 0.74 -1.26 -4.79 119.66 118.27 1vj6 s GLN 100 Ca 0.31 -0.62 -0.16 0.00 0.05 0.00 0.00 55.36 54.95 1vj6 s GLN 100 Cb 0.20 -2.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 1vj6 s GLN 100 CO 0.16 -0.13 1.05 0.14 -0.55 0.00 0.00 175.29 175.96 1vj6 s VAL 101 N 1.30 3.92 -2.00 1.34 -7.23 -1.26 -4.85 120.40 111.61 1vj6 s VAL 101 Ca 0.04 0.89 0.15 0.00 -1.81 0.00 0.00 61.98 61.25 1vj6 s VAL 101 Cb -0.14 -3.43 0.43 0.00 0.56 0.00 0.00 36.38 33.79 1vj6 s VAL 101 CO -0.02 -0.55 1.31 -2.65 -0.31 0.00 0.00 175.10 172.88