#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 4.23 -0.30 0.03 3.01 -1.26 -4.95 119.74 120.49 1vj6 s LYS 9 Ca 0.00 2.40 -0.29 0.00 -1.01 0.00 0.00 55.97 57.07 1vj6 s LYS 9 Cb 0.00 -3.03 -0.01 0.00 -1.01 0.00 0.00 37.83 33.77 1vj6 s LYS 9 CO 0.00 -0.40 1.57 -2.14 0.51 0.00 0.00 175.35 174.90 1vj6 s PRO 10 N -1.55 3.64 0.00 -1.68 0.02 -1.26 -3.13 135.00 131.05 1vj6 s PRO 10 Ca 0.53 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1vj6 s PRO 10 Cb -0.43 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.03 1vj6 s PRO 10 CO 0.55 -1.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 1vj6 n GLY 11 N 4.92 1.06 0.24 0.52 0.00 -1.26 -4.64 105.19 106.02 1vj6 n GLY 11 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1vj6 n GLY 11 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vj6 n ASP 12 N 1.01 0.21 -3.74 1.61 5.75 -1.18 -4.23 116.55 115.97 1vj6 n ASP 12 Ca 0.00 -0.87 -0.15 0.00 -0.01 0.00 0.00 54.79 53.76 1vj6 n ASP 12 Cb 0.28 -0.10 -0.15 0.00 -1.03 0.00 0.00 41.12 40.11 1vj6 n ASP 12 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1vj6 s THR 13 N -1.52 -0.07 -0.15 2.12 -4.23 -1.25 -3.99 115.64 106.55 1vj6 s THR 13 Ca 0.00 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 1vj6 s THR 13 Cb 0.00 -0.19 0.04 0.00 1.34 0.00 0.00 72.50 73.70 1vj6 s THR 13 CO 0.00 0.09 -0.01 0.72 -0.54 0.00 0.00 174.62 174.88 1vj6 s PHE 14 N 1.29 1.20 -0.93 3.99 -0.71 -0.11 -4.98 117.98 117.73 1vj6 s PHE 14 Ca -0.07 -0.75 -0.21 0.00 -1.04 0.00 0.00 56.93 54.86 1vj6 s PHE 14 Cb -0.12 -1.08 0.09 0.00 -1.21 0.00 0.00 43.02 40.69 1vj6 s PHE 14 CO -0.05 -0.53 1.26 -2.00 -1.34 0.00 0.00 175.22 172.56 1vj6 s GLU 15 N 1.80 3.53 0.49 1.99 2.12 -1.26 -1.17 118.70 126.19 1vj6 s GLU 15 Ca 0.02 -1.33 -0.16 0.00 0.36 0.00 0.00 54.97 53.86 1vj6 s GLU 15 Cb -0.15 -5.00 -0.08 0.00 0.26 0.00 0.00 34.13 29.16 1vj6 s GLU 15 CO -0.07 -1.98 0.94 0.08 -0.54 0.00 0.00 175.26 173.69 1vj6 s VAL 16 N 3.93 4.57 -0.18 3.70 1.01 0.06 -4.90 120.40 128.59 1vj6 s VAL 16 Ca 0.37 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 1vj6 s VAL 16 Cb -0.04 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1vj6 s VAL 16 CO -0.07 -0.63 -0.02 -1.83 0.00 0.00 0.00 175.10 172.56 1vj6 s GLU 17 N -3.95 1.13 0.16 2.72 -1.05 -1.26 -0.42 118.70 116.02 1vj6 s GLU 17 Ca 0.58 -0.49 0.11 0.00 -0.15 0.00 0.00 54.97 55.01 1vj6 s GLU 17 Cb -0.10 -2.03 -0.04 0.00 -0.44 0.00 0.00 34.13 31.52 1vj6 s GLU 17 CO 0.30 -0.51 -0.25 -0.51 0.95 0.00 0.00 175.26 175.24 1vj6 s LEU 18 N 1.70 2.42 -0.28 1.83 1.43 0.05 -4.95 118.68 120.87 1vj6 s LEU 18 Ca -0.00 -0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 1vj6 s LEU 18 Cb -0.16 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 1vj6 s LEU 18 CO -0.07 0.15 0.12 0.00 0.23 0.00 0.00 176.35 176.77 1vj6 s ALA 19 N -1.38 3.24 0.28 4.21 0.00 -1.26 -0.22 121.76 126.63 1vj6 s ALA 19 Ca 0.18 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 1vj6 s ALA 19 Cb -0.09 -2.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.69 1vj6 s ALA 19 CO 0.08 -0.69 1.29 0.15 0.00 0.00 0.00 175.76 176.59 1vj6 s LYS 20 N 1.62 4.40 -0.58 0.00 3.01 -1.16 -4.80 119.74 122.22 1vj6 s LYS 20 Ca 0.05 2.12 -0.22 0.00 -1.01 0.00 0.00 55.97 56.92 1vj6 s LYS 20 Cb -0.16 -3.12 0.06 0.00 -1.01 0.00 0.00 37.83 33.60 1vj6 s LYS 20 CO 0.05 -0.17 0.84 -0.08 0.51 0.00 0.00 175.35 176.50 1vj6 s THR 21 N -0.70 4.54 -1.47 2.17 -1.32 0.29 -4.27 115.64 114.88 1vj6 s THR 21 Ca 0.51 -0.25 -0.08 0.00 -1.21 0.00 0.00 61.69 60.66 1vj6 s THR 21 Cb -0.38 -4.51 0.06 0.00 -1.51 0.00 0.00 72.50 66.15 1vj6 s THR 21 CO 0.46 -1.14 0.78 0.47 -2.21 0.00 0.00 174.62 172.98 1vj6 n ASP 22 N 7.08 -2.79 -1.97 8.08 9.92 -1.26 -2.33 116.55 133.27 1vj6 n ASP 22 Ca -0.03 -0.86 -0.07 0.00 -0.53 0.00 0.00 54.79 53.29 1vj6 n ASP 22 Cb 0.46 -3.64 0.04 0.00 -0.64 0.00 0.00 41.12 37.34 1vj6 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vj6 n GLY 23 N -1.67 0.14 3.22 0.44 0.00 -1.26 -5.05 105.19 101.00 1vj6 n GLY 23 Ca -0.11 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.51 -1.23 0.02 1.61 0.15 -0.98 -4.99 113.70 104.77 1vj6 s SER 24 Ca 0.03 0.90 -0.20 0.00 0.70 0.00 0.00 55.95 57.38 1vj6 s SER 24 Cb -0.01 2.08 -0.19 0.00 -1.71 0.00 0.00 66.02 66.19 1vj6 s SER 24 CO 0.30 -0.23 1.19 -0.07 1.20 0.00 0.00 173.24 175.63 1vj6 h LEU 25 N 7.99 0.46 0.00 3.45 3.38 -1.92 0.84 115.31 129.51 1vj6 h LEU 25 Ca -0.21 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1vj6 h LEU 25 Cb 1.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1vj6 h LEU 25 CO 0.19 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.37 1vj6 n GLY 26 N 0.71 1.24 3.16 0.83 0.00 -1.26 -0.35 105.19 109.52 1vj6 n GLY 26 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.35 2.01 -0.35 -0.61 -4.36 -1.26 -2.01 121.20 113.27 1vj6 s ILE 27 Ca 0.00 -0.95 -0.29 0.00 -0.26 0.00 0.00 60.65 59.15 1vj6 s ILE 27 Cb 0.00 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.94 1vj6 s ILE 27 CO 0.00 0.54 1.15 -0.44 0.24 0.00 0.00 174.94 176.43 1vj6 s SER 28 N 0.83 6.78 -0.13 4.36 0.01 -0.62 -5.01 113.70 119.93 1vj6 s SER 28 Ca -0.07 0.95 -0.21 0.00 1.31 0.00 0.00 55.95 57.93 1vj6 s SER 28 Cb -0.15 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1vj6 s SER 28 CO -0.02 -1.03 0.60 0.68 0.41 0.00 0.00 173.24 173.88 1vj6 s VAL 29 N 4.06 5.08 0.44 3.43 -7.23 -1.26 -0.49 120.40 124.44 1vj6 s VAL 29 Ca 0.49 1.20 0.03 0.00 -1.81 0.00 0.00 61.98 61.89 1vj6 s VAL 29 Cb -0.12 -3.94 -0.01 0.00 0.56 0.00 0.00 36.38 32.87 1vj6 s VAL 29 CO 0.21 0.22 0.11 1.07 -0.31 0.00 0.00 175.10 176.41 1vj6 n THR 30 N 4.08 0.00 0.00 5.32 5.66 -0.30 -4.85 114.28 124.18 1vj6 n THR 30 Ca -0.03 -2.42 0.00 0.00 -3.05 0.00 0.00 64.05 58.54 1vj6 n THR 30 Cb 0.51 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 1vj6 n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vj6 n GLY 31 N -0.93 1.15 0.00 1.09 0.00 -1.26 -0.64 105.19 104.61 1vj6 n GLY 31 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.44 0.39 -0.02 0.00 -1.21 -4.21 105.19 98.70 1vj6 n GLY 32 Ca 0.00 -1.57 0.19 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 0.74 0.00 1.61 3.04 -1.10 -2.22 116.25 118.32 1vj6 h VAL 33 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1vj6 h VAL 33 Cb 0.00 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 1vj6 h VAL 33 CO 0.00 0.04 0.00 -0.55 -1.01 0.00 0.00 177.57 176.05 1vj6 h ASN 34 N 0.22 0.00 -0.01 3.17 -1.07 -1.81 -2.45 115.58 113.63 1vj6 h ASN 34 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.71 1vj6 h ASN 34 Cb 1.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.26 1vj6 h ASN 34 CO -0.07 0.00 -0.60 0.35 0.07 0.00 0.00 177.43 177.18 1vj6 n THR 35 N -3.05 0.00 -2.33 6.14 -2.24 -0.84 -5.03 114.28 106.92 1vj6 n THR 35 Ca 0.02 -0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1vj6 n THR 35 Cb 0.36 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1vj6 n SER 36 N -0.39 -5.83 -0.95 3.42 2.88 -0.92 -5.00 113.62 106.83 1vj6 n SER 36 Ca 0.08 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1vj6 n SER 36 Cb 0.43 -3.80 0.21 0.00 -0.75 0.00 0.00 64.21 60.29 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1vj6 n VAL 37 N -0.06 2.41 -1.97 2.46 0.24 -1.26 -4.90 118.33 115.26 1vj6 n VAL 37 Ca 0.05 -2.64 -0.00 0.00 -2.04 0.00 0.00 64.34 59.70 1vj6 n VAL 37 Cb 0.18 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 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 -1.05 -0.45 0.00 7.34 0.63 -1.26 -4.56 116.66 117.31 1vj6 n ARG 38 Ca 0.28 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 1vj6 n ARG 38 Cb 0.93 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 31.05 1vj6 n ARG 38 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1vj6 n HIS 39 N -1.12 0.00 -1.47 -0.14 8.25 -1.26 -4.75 115.22 114.73 1vj6 n HIS 39 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1vj6 n HIS 39 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 0.00 1.97 0.00 -1.41 0.00 -1.26 -4.48 105.19 100.01 1vj6 n GLY 40 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.66 3.60 -0.02 0.00 -0.91 -4.81 105.19 101.39 1vj6 n GLY 41 Ca 0.00 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.24 2.93 0.15 -0.61 1.10 0.21 -3.35 121.20 118.39 1vj6 s ILE 42 Ca 0.00 -2.03 0.03 0.00 -0.51 0.00 0.00 60.65 58.13 1vj6 s ILE 42 Cb 0.00 -2.71 -0.04 0.00 0.15 0.00 0.00 42.46 39.85 1vj6 s ILE 42 CO 0.00 -0.31 -0.05 -0.31 -2.11 0.00 0.00 174.94 172.16 1vj6 s TYR 43 N -2.44 1.16 0.01 3.50 1.51 0.19 0.13 117.35 121.42 1vj6 s TYR 43 Ca 0.33 -0.91 -0.26 0.00 -1.01 0.00 0.00 57.07 55.21 1vj6 s TYR 43 Cb -0.04 -0.65 -0.05 0.00 -0.11 0.00 0.00 41.96 41.12 1vj6 s TYR 43 CO 0.19 -0.10 0.80 0.08 -1.11 0.00 0.00 175.55 175.41 1vj6 s VAL 44 N -3.54 4.82 -0.19 0.71 1.01 -0.04 -1.15 120.40 122.02 1vj6 s VAL 44 Ca 0.19 1.70 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 1vj6 s VAL 44 Cb 0.05 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 1vj6 s VAL 44 CO 0.01 0.29 0.06 1.17 0.00 0.00 0.00 175.10 176.63 1vj6 n LYS 45 N 3.25 0.53 -3.82 2.72 3.00 0.36 -3.78 118.16 120.42 1vj6 n LYS 45 Ca -0.00 0.55 -0.13 0.00 -0.00 0.00 0.00 58.31 58.73 1vj6 n LYS 45 Cb 0.51 -1.72 -0.14 0.00 0.00 0.00 0.00 35.03 33.67 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 -2.50 -0.05 -0.13 3.14 0.00 -1.23 -4.53 121.76 116.45 1vj6 s ALA 46 Ca -0.24 0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 1vj6 s ALA 46 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1vj6 s ALA 46 CO 0.46 -0.06 0.53 0.42 0.00 0.00 0.00 175.76 177.11 1vj6 s ILE 47 N 0.49 5.14 0.61 0.00 -1.09 -1.26 -1.59 121.20 123.50 1vj6 s ILE 47 Ca -0.04 1.05 -0.14 0.00 -2.23 0.00 0.00 60.65 59.29 1vj6 s ILE 47 Cb -0.06 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1vj6 s ILE 47 CO -0.02 0.28 1.04 0.27 -1.23 0.00 0.00 174.94 175.28 1vj6 s ILE 48 N 0.89 4.13 -0.79 2.92 -4.36 -0.85 -4.94 121.20 118.21 1vj6 s ILE 48 Ca 0.28 0.87 -0.25 0.00 -0.26 0.00 0.00 60.65 61.29 1vj6 s ILE 48 Cb -0.16 -3.51 -0.01 0.00 1.25 0.00 0.00 42.46 40.03 1vj6 s ILE 48 CO 0.11 -0.73 1.71 -2.16 0.24 0.00 0.00 174.94 174.12 1vj6 s PRO 49 N -4.50 2.87 0.00 0.37 0.04 -1.26 -4.30 135.00 128.22 1vj6 s PRO 49 Ca 0.60 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1vj6 s PRO 49 Cb -0.14 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.70 1vj6 s PRO 49 CO 0.43 -2.73 0.00 1.63 0.04 0.00 0.00 177.00 176.37 1vj6 n LYS 50 N 9.08 0.00 0.00 4.56 5.02 -1.26 -5.13 118.16 130.42 1vj6 n LYS 50 Ca 0.25 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1vj6 n LYS 50 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 -0.49 6.08 0.24 0.72 0.00 -1.26 -5.04 105.19 105.44 1vj6 n GLY 51 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 1.00 0.44 -0.49 4.61 0.00 -1.42 -2.73 119.26 120.67 1vj6 h ALA 52 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1vj6 h ALA 52 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1vj6 h ALA 52 CO 0.00 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.80 1vj6 h ALA 53 N 0.67 0.67 -0.81 0.00 0.00 -1.04 -2.32 119.26 116.43 1vj6 h ALA 53 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1vj6 h ALA 53 Cb 1.13 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1vj6 h ALA 53 CO 0.12 0.55 0.52 1.49 0.00 0.00 0.00 179.25 181.93 1vj6 h GLU 54 N 0.77 1.08 0.00 0.00 4.81 -1.80 -2.67 114.58 116.78 1vj6 h GLU 54 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1vj6 h GLU 54 Cb 0.64 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1vj6 h GLU 54 CO 0.04 0.73 0.00 0.45 -0.73 0.00 0.00 179.01 179.50 1vj6 n SER 55 N -4.40 0.00 0.00 1.04 2.88 -0.89 -2.06 113.62 110.19 1vj6 n SER 55 Ca 0.09 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 1vj6 n SER 55 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.97 0.00 0.00 -3.46 2.03 -1.01 -5.03 116.55 108.11 1vj6 n ASP 56 Ca 0.12 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.89 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 1.23 1.24 0.14 0.27 0.00 -0.88 -4.96 105.19 102.24 1vj6 n GLY 57 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.59 1.61 3.08 -1.88 -3.45 114.38 107.16 1vj6 h ARG 58 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1vj6 h ARG 58 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1vj6 h ARG 58 CO 0.00 0.47 0.59 0.42 -1.07 0.00 0.00 179.97 180.38 1vj6 s ILE 59 N -2.97 3.66 0.30 2.04 1.01 -1.26 -5.04 121.20 118.94 1vj6 s ILE 59 Ca 0.04 1.29 0.06 0.00 0.00 0.00 0.00 60.65 62.04 1vj6 s ILE 59 Cb 0.07 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1vj6 s ILE 59 CO 0.75 0.16 0.22 1.57 0.00 0.00 0.00 174.94 177.63 1vj6 n HIS 60 N 3.19 -0.54 -1.59 3.97 -0.00 -1.26 -4.88 115.22 114.11 1vj6 n HIS 60 Ca 0.07 -2.41 -0.42 0.00 0.46 0.00 0.00 57.72 55.42 1vj6 n HIS 60 Cb 0.45 0.21 -0.01 0.00 -0.12 0.00 0.00 29.99 30.51 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 -0.60 2.68 0.00 1.57 5.02 -1.26 -2.95 118.16 122.62 1vj6 n LYS 61 Ca 0.05 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 1vj6 n LYS 61 Cb 0.53 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 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 4.13 0.00 3.91 0.72 0.00 -1.25 -4.88 105.19 107.82 1vj6 n GLY 62 Ca 0.53 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 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 4.22 -0.09 1.61 1.01 -1.15 -4.51 116.67 117.76 1vj6 s ASP 63 Ca 0.00 0.65 -0.01 0.00 0.71 0.00 0.00 52.55 53.89 1vj6 s ASP 63 Cb 0.00 -1.05 -0.03 0.00 1.01 0.00 0.00 42.92 42.85 1vj6 s ASP 63 CO 0.00 -2.07 -0.02 -0.60 0.21 0.00 0.00 175.17 172.69 1vj6 s ARG 64 N -5.63 2.97 -0.28 8.23 3.52 -0.47 -0.86 118.95 126.42 1vj6 s ARG 64 Ca 0.64 -0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1vj6 s ARG 64 Cb -0.09 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.57 1vj6 s ARG 64 CO 0.50 0.65 0.06 0.08 -0.81 0.00 0.00 175.30 175.77 1vj6 s VAL 65 N -0.75 3.81 -0.22 7.11 1.01 0.12 0.04 120.40 131.53 1vj6 s VAL 65 Ca 0.12 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.49 1vj6 s VAL 65 Cb -0.11 -2.95 -0.22 0.00 0.00 0.00 0.00 36.38 33.10 1vj6 s VAL 65 CO 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 175.10 175.21 1vj6 n LEU 66 N 4.84 1.33 -3.85 3.92 -0.00 0.24 -0.62 117.00 122.86 1vj6 n LEU 66 Ca -0.15 -0.04 -0.11 0.00 -0.00 0.00 0.00 56.01 55.71 1vj6 n LEU 66 Cb 0.48 -0.14 -0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1vj6 n LEU 66 CO 0.31 0.69 -0.12 0.00 -0.00 0.00 0.00 177.39 178.27 1vj6 s ALA 67 N -2.51 -0.37 -0.06 1.47 0.00 -1.03 -0.79 121.76 118.47 1vj6 s ALA 67 Ca -0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1vj6 s ALA 67 Cb 0.07 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1vj6 s ALA 67 CO 0.73 -0.30 -0.00 0.08 0.00 0.00 0.00 175.76 176.27 1vj6 s VAL 68 N -2.05 0.37 -1.79 0.00 1.01 -0.67 -0.13 120.40 117.14 1vj6 s VAL 68 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1vj6 s VAL 68 Cb -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1vj6 s VAL 68 CO -0.01 0.24 0.00 -3.20 0.00 0.00 0.00 175.10 172.13 1vj6 n ASN 69 N 4.85 -5.62 0.00 3.32 5.15 -0.48 -1.33 115.26 121.15 1vj6 n ASN 69 Ca -0.12 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1vj6 n ASN 69 Cb 0.50 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.01 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 -0.87 0.66 2.88 8.20 0.00 -1.26 -4.98 105.19 109.81 1vj6 n GLY 70 Ca -0.23 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 1.80 0.39 1.61 1.01 -0.44 -5.11 120.40 117.65 1vj6 s VAL 71 Ca 0.00 -2.30 -0.26 0.00 0.00 0.00 0.00 61.98 59.42 1vj6 s VAL 71 Cb 0.00 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 1vj6 s VAL 71 CO 0.00 -0.71 1.26 -0.94 0.00 0.00 0.00 175.10 174.71 1vj6 s SER 72 N 0.79 6.47 -1.37 3.32 1.04 -1.26 -1.67 113.70 121.02 1vj6 s SER 72 Ca 0.13 2.56 -0.11 0.00 0.48 0.00 0.00 55.95 59.02 1vj6 s SER 72 Cb -0.21 -2.63 0.10 0.00 0.10 0.00 0.00 66.02 63.38 1vj6 s SER 72 CO -0.10 -0.73 2.12 0.18 0.98 0.00 0.00 173.24 175.69 1vj6 n LEU 73 N 0.26 7.01 -4.70 2.42 4.77 0.03 -4.94 117.00 121.86 1vj6 n LEU 73 Ca 0.03 -4.49 -0.42 0.00 -0.03 0.00 0.00 56.01 51.10 1vj6 n LEU 73 Cb 0.44 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1vj6 n LEU 73 CO 0.55 1.41 0.82 -1.61 -1.33 0.00 0.00 177.39 177.23 1vj6 s GLU 74 N 1.27 4.45 0.00 3.23 8.01 -1.26 -2.14 118.70 132.26 1vj6 s GLU 74 Ca 0.45 1.57 0.00 0.00 0.01 0.00 0.00 54.97 57.01 1vj6 s GLU 74 Cb 0.13 -3.47 0.00 0.00 -4.31 0.00 0.00 34.13 26.48 1vj6 s GLU 74 CO -0.04 -0.25 0.00 0.41 0.01 0.00 0.00 175.26 175.39 1vj6 n GLY 75 N 3.14 1.31 3.76 -1.39 0.00 -1.26 -5.00 105.19 105.74 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 -3.49 3.42 0.00 4.61 0.00 -1.26 -4.82 121.76 120.23 1vj6 s ALA 76 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1vj6 s ALA 76 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1vj6 s ALA 76 CO 0.00 0.15 0.00 -2.37 0.00 0.00 0.00 175.76 173.54 1vj6 n THR 77 N 2.50 0.00 -0.00 0.00 5.66 -1.26 -0.66 114.28 120.52 1vj6 n THR 77 Ca -0.04 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.81 1vj6 n THR 77 Cb 0.50 -0.53 -0.08 0.00 -1.55 0.00 0.00 70.33 68.66 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 0.45 -1.46 -0.18 1.09 2.76 -1.93 0.22 115.15 116.09 1vj6 h HIS 78 Ca 0.00 0.06 -0.16 0.00 -2.20 0.00 0.00 60.37 58.06 1vj6 h HIS 78 Cb 0.00 0.66 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1vj6 h HIS 78 CO 0.00 -0.53 -0.51 -0.22 -1.30 0.00 0.00 177.93 175.37 1vj6 h LYS 79 N -0.56 0.67 -0.30 5.26 3.11 -1.97 -2.39 116.57 120.39 1vj6 h LYS 79 Ca 0.05 -0.48 0.01 0.00 -2.81 0.00 0.00 60.65 57.42 1vj6 h LYS 79 Cb 0.67 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.96 1vj6 h LYS 79 CO -0.42 1.10 0.17 0.37 -2.81 0.00 0.00 179.45 177.86 1vj6 h GLN 80 N 0.37 0.34 -0.62 1.90 4.15 -1.94 -2.52 115.11 116.79 1vj6 h GLN 80 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1vj6 h GLN 80 Cb 1.13 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 1vj6 h GLN 80 CO 0.11 0.22 0.34 0.00 -1.93 0.00 0.00 178.83 177.58 1vj6 h ALA 81 N 1.13 1.44 0.07 3.38 0.00 -0.50 -1.96 119.26 122.83 1vj6 h ALA 81 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1vj6 h ALA 81 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1vj6 h ALA 81 CO -0.06 0.46 -0.11 0.28 0.00 0.00 0.00 179.25 179.82 1vj6 h VAL 82 N 0.85 0.73 -0.78 0.00 2.07 -1.19 -1.92 116.25 116.02 1vj6 h VAL 82 Ca 0.22 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.82 1vj6 h VAL 82 Cb 0.01 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1vj6 h VAL 82 CO -0.04 0.00 0.51 -0.33 0.02 0.00 0.00 177.57 177.73 1vj6 h GLU 83 N -0.23 0.74 0.00 1.57 5.08 -1.02 0.34 114.58 121.06 1vj6 h GLU 83 Ca 0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1vj6 h GLU 83 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1vj6 h GLU 83 CO -0.07 0.49 -0.20 1.15 -1.00 0.00 0.00 179.01 179.39 1vj6 h THR 84 N 0.77 0.57 0.07 1.13 2.02 -1.04 -1.14 112.91 115.29 1vj6 h THR 84 Ca 0.35 -0.96 -0.31 0.00 0.77 0.00 0.00 66.41 66.27 1vj6 h THR 84 Cb 0.35 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1vj6 h THR 84 CO -0.13 0.20 -1.66 -0.07 0.37 0.00 0.00 175.52 174.23 1vj6 h LEU 85 N 0.00 0.24 0.10 2.58 3.38 -0.51 -3.44 115.31 117.67 1vj6 h LEU 85 Ca -0.00 -0.76 -0.18 0.00 0.09 0.00 0.00 57.88 57.02 1vj6 h LEU 85 Cb 0.63 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.32 1vj6 h LEU 85 CO 0.03 1.70 -0.78 -0.09 0.09 0.00 0.00 178.44 179.38 1vj6 h ARG 86 N -0.40 0.35 -0.36 1.13 1.12 -0.34 -3.35 114.38 112.53 1vj6 h ARG 86 Ca -0.39 -0.51 0.00 0.00 -1.11 0.00 0.00 59.98 57.97 1vj6 h ARG 86 Cb 1.72 0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.85 1vj6 h ARG 86 CO -0.04 1.21 0.00 -1.71 -3.11 0.00 0.00 179.97 176.32 1vj6 n ASN 87 N -4.13 0.61 -3.38 -3.80 2.85 -0.44 -4.78 115.26 102.20 1vj6 n ASN 87 Ca -0.13 -2.02 -0.18 0.00 -0.11 0.00 0.00 54.58 52.14 1vj6 n ASN 87 Cb 0.79 -0.19 0.12 0.00 1.24 0.00 0.00 39.78 41.73 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1vj6 n THR 88 N -0.22 0.00 0.00 -0.44 -2.24 -1.26 -5.08 114.28 105.04 1vj6 n THR 88 Ca 0.02 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1vj6 n THR 88 Cb 0.13 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1vj6 n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vj6 n GLY 89 N -0.45 0.70 0.08 3.38 0.00 -1.26 -5.04 105.19 102.60 1vj6 n GLY 89 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1vj6 n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vj6 n GLN 90 N 0.00 0.48 -2.48 1.61 7.27 -1.26 -4.87 117.38 118.13 1vj6 n GLN 90 Ca 0.00 0.36 -0.43 0.00 0.07 0.00 0.00 57.00 57.00 1vj6 n GLN 90 Cb 0.00 -1.53 -0.02 0.00 2.41 0.00 0.00 30.24 31.10 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 -2.55 4.36 -0.32 1.69 1.01 -1.26 -3.01 120.40 120.32 1vj6 s VAL 91 Ca -0.22 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.37 1vj6 s VAL 91 Cb 0.03 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1vj6 s VAL 91 CO 0.32 -0.12 0.07 -0.69 0.00 0.00 0.00 175.10 174.68 1vj6 s VAL 92 N 3.20 3.54 -0.64 2.92 1.01 0.70 -4.91 120.40 126.22 1vj6 s VAL 92 Ca 0.53 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 1vj6 s VAL 92 Cb -0.21 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1vj6 s VAL 92 CO 0.14 -0.12 1.38 -1.00 0.00 0.00 0.00 175.10 175.51 1vj6 s HIS 93 N 1.37 2.26 -0.39 5.22 3.76 -1.26 -0.77 115.29 125.48 1vj6 s HIS 93 Ca -0.02 0.30 -0.23 0.00 -0.15 0.00 0.00 55.06 54.96 1vj6 s HIS 93 Cb -0.19 -4.47 0.01 0.00 1.11 0.00 0.00 32.58 29.04 1vj6 s HIS 93 CO 0.01 -1.99 0.79 -0.51 -0.85 0.00 0.00 174.74 172.19 1vj6 s LEU 94 N 6.10 4.16 -0.52 0.89 1.43 0.44 -1.39 118.68 129.78 1vj6 s LEU 94 Ca 0.46 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.58 1vj6 s LEU 94 Cb -0.09 -3.01 0.05 0.00 0.03 0.00 0.00 46.19 43.17 1vj6 s LEU 94 CO 0.21 -0.79 0.72 -0.22 0.23 0.00 0.00 176.35 176.50 1vj6 s LEU 95 N 3.16 4.72 0.00 1.79 0.20 0.82 -0.76 118.68 128.62 1vj6 s LEU 95 Ca 0.31 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.36 1vj6 s LEU 95 Cb -0.13 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.04 1vj6 s LEU 95 CO 0.19 -1.00 0.07 -0.76 -0.29 0.00 0.00 176.35 174.56 1vj6 s LEU 96 N 3.02 3.85 0.05 -0.68 1.43 -0.32 -0.59 118.68 125.45 1vj6 s LEU 96 Ca 0.19 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 1vj6 s LEU 96 Cb -0.17 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1vj6 s LEU 96 CO 0.14 0.26 -0.17 -0.70 0.23 0.00 0.00 176.35 176.11 1vj6 s GLU 97 N -1.78 2.06 0.37 1.70 2.12 0.11 -0.93 118.70 122.34 1vj6 s GLU 97 Ca 0.23 -1.00 -0.26 0.00 0.36 0.00 0.00 54.97 54.31 1vj6 s GLU 97 Cb -0.12 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 31.98 1vj6 s GLU 97 CO 0.14 0.53 1.12 0.15 -0.54 0.00 0.00 175.26 176.67 1vj6 s LYS 98 N -1.57 4.24 0.00 4.30 -0.14 -1.26 -1.37 119.74 123.94 1vj6 s LYS 98 Ca 0.16 1.75 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 1vj6 s LYS 98 Cb -0.11 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 1vj6 s LYS 98 CO 0.06 -0.13 0.92 0.41 -0.76 0.00 0.00 175.35 175.85 1vj6 n GLY 99 N 0.69 -2.55 0.00 -3.33 0.00 -1.26 -4.71 105.19 94.03 1vj6 n GLY 99 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.79 0.00 -2.51 1.61 10.64 -1.26 -4.90 117.38 119.16 1vj6 n GLN 100 Ca 0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 1vj6 n GLN 100 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1vj6 n GLN 100 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1vj6 s VAL 101 N -0.91 4.33 -2.00 -0.39 -7.23 -1.26 -4.15 120.40 108.78 1vj6 s VAL 101 Ca 0.00 1.25 0.07 0.00 -1.81 0.00 0.00 61.98 61.49 1vj6 s VAL 101 Cb 0.00 -3.61 0.20 0.00 0.56 0.00 0.00 36.38 33.53 1vj6 s VAL 101 CO 0.00 -0.50 0.88 -2.65 -0.31 0.00 0.00 175.10 172.52