#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 3.69 0.19 0.03 3.01 -1.26 -4.93 119.74 120.47 1vj6 s LYS 9 Ca 0.00 0.34 -0.33 0.00 -1.01 0.00 0.00 55.97 54.97 1vj6 s LYS 9 Cb 0.00 -2.41 -0.13 0.00 -1.01 0.00 0.00 37.83 34.28 1vj6 s LYS 9 CO 0.00 -0.07 1.68 -2.30 0.51 0.00 0.00 175.35 175.17 1vj6 n PRO 10 N -1.57 2.56 0.00 -1.68 -0.02 -1.26 -3.45 135.00 129.57 1vj6 n PRO 10 Ca 0.01 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1vj6 n PRO 10 Cb 0.54 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1vj6 n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vj6 n GLY 11 N 3.80 1.19 0.32 -1.23 0.00 -1.26 -4.74 105.19 103.27 1vj6 n GLY 11 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.56 -3.60 1.61 5.75 -1.22 -4.12 116.55 115.53 1vj6 n ASP 12 Ca 0.00 -1.75 -0.19 0.00 -0.01 0.00 0.00 54.79 52.83 1vj6 n ASP 12 Cb 0.00 -0.28 -0.15 0.00 -1.03 0.00 0.00 41.12 39.66 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 -1.36 -0.24 -0.17 2.12 -4.23 -1.25 -3.94 115.64 106.56 1vj6 s THR 13 Ca 0.00 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.59 1vj6 s THR 13 Cb 0.00 -0.48 0.05 0.00 1.34 0.00 0.00 72.50 73.41 1vj6 s THR 13 CO 0.00 -0.06 -0.02 0.72 -0.54 0.00 0.00 174.62 174.72 1vj6 s PHE 14 N 2.27 1.52 -1.18 3.99 -0.71 -0.33 -4.99 117.98 118.55 1vj6 s PHE 14 Ca 0.04 -1.02 -0.07 0.00 -1.04 0.00 0.00 56.93 54.83 1vj6 s PHE 14 Cb -0.14 -1.23 0.24 0.00 -1.21 0.00 0.00 43.02 40.68 1vj6 s PHE 14 CO -0.08 -0.61 1.62 0.39 -1.34 0.00 0.00 175.22 175.20 1vj6 n GLU 15 N 4.92 3.97 -2.22 1.99 1.02 -1.26 -1.10 120.64 127.97 1vj6 n GLU 15 Ca -0.11 -4.06 -0.42 0.00 -0.02 0.00 0.00 57.16 52.55 1vj6 n GLU 15 Cb 0.47 -2.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.14 1vj6 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1vj6 s VAL 16 N -1.02 3.86 -0.31 2.62 1.01 -0.00 -4.69 120.40 121.87 1vj6 s VAL 16 Ca 0.35 1.11 -0.09 0.00 0.00 0.00 0.00 61.98 63.36 1vj6 s VAL 16 Cb 0.05 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1vj6 s VAL 16 CO 0.04 -0.07 0.14 -1.83 0.00 0.00 0.00 175.10 173.38 1vj6 s GLU 17 N 3.35 3.27 0.06 2.72 -1.05 -1.26 0.64 118.70 126.43 1vj6 s GLU 17 Ca 0.64 -0.76 0.07 0.00 -0.15 0.00 0.00 54.97 54.78 1vj6 s GLU 17 Cb -0.29 -3.52 -0.03 0.00 -0.44 0.00 0.00 34.13 29.85 1vj6 s GLU 17 CO 0.23 -0.43 -0.17 -0.51 0.95 0.00 0.00 175.26 175.33 1vj6 s LEU 18 N 1.59 2.67 -0.36 1.83 1.43 0.25 -4.93 118.68 121.15 1vj6 s LEU 18 Ca 0.04 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 1vj6 s LEU 18 Cb -0.17 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.54 1vj6 s LEU 18 CO 0.05 0.24 0.17 0.00 0.23 0.00 0.00 176.35 177.04 1vj6 s ALA 19 N -0.99 3.18 0.67 4.21 0.00 -1.26 -0.09 121.76 127.48 1vj6 s ALA 19 Ca 0.16 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1vj6 s ALA 19 Cb -0.11 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1vj6 s ALA 19 CO 0.07 -1.39 0.79 0.36 0.00 0.00 0.00 175.76 175.58 1vj6 n LYS 20 N 4.91 0.55 -3.72 0.00 2.85 -1.25 -4.73 118.16 116.78 1vj6 n LYS 20 Ca -0.12 0.23 -0.38 0.00 -1.05 0.00 0.00 58.31 56.99 1vj6 n LYS 20 Cb 0.45 -2.03 -0.11 0.00 -0.65 0.00 0.00 35.03 32.69 1vj6 n LYS 20 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1vj6 s THR 21 N -1.75 3.71 -1.26 0.58 -1.32 0.47 -4.69 115.64 111.38 1vj6 s THR 21 Ca 0.72 -1.56 -0.18 0.00 -1.21 0.00 0.00 61.69 59.45 1vj6 s THR 21 Cb -0.38 -3.31 0.01 0.00 -1.51 0.00 0.00 72.50 67.31 1vj6 s THR 21 CO 0.52 -0.47 0.60 -0.67 -2.21 0.00 0.00 174.62 172.39 1vj6 n ASP 22 N 4.77 -3.24 -2.57 8.08 2.03 -1.26 -3.41 116.55 120.95 1vj6 n ASP 22 Ca -0.09 -1.12 -0.08 0.00 0.52 0.00 0.00 54.79 54.02 1vj6 n ASP 22 Cb 0.43 -2.65 0.04 0.00 -0.72 0.00 0.00 41.12 38.22 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 -1.96 -0.43 0.00 0.27 0.00 -1.26 -5.05 105.19 96.76 1vj6 n GLY 23 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vj6 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vj6 n SER 24 N -2.44 0.00 0.03 1.61 2.88 -1.22 -5.01 113.62 109.47 1vj6 n SER 24 Ca -0.04 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.31 1vj6 n SER 24 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 1vj6 n SER 24 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1vj6 h LEU 25 N 0.00 0.74 0.00 2.46 3.38 -1.92 0.13 115.31 120.10 1vj6 h LEU 25 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1vj6 h LEU 25 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1vj6 h LEU 25 CO 0.00 1.42 0.00 0.61 0.09 0.00 0.00 178.44 180.56 1vj6 n GLY 26 N 1.16 1.62 3.30 0.83 0.00 -1.26 -0.81 105.19 110.03 1vj6 n GLY 26 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 2.36 -0.40 -0.61 -4.36 -1.26 -2.71 121.20 112.23 1vj6 s ILE 27 Ca 0.00 -0.94 -0.27 0.00 -0.26 0.00 0.00 60.65 59.18 1vj6 s ILE 27 Cb 0.00 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.83 1vj6 s ILE 27 CO 0.00 0.56 0.98 -0.44 0.24 0.00 0.00 174.94 176.29 1vj6 s SER 28 N -0.03 6.67 -0.07 4.36 0.01 -0.92 -5.02 113.70 118.70 1vj6 s SER 28 Ca -0.06 0.55 -0.25 0.00 1.31 0.00 0.00 55.95 57.49 1vj6 s SER 28 Cb -0.15 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1vj6 s SER 28 CO 0.05 -0.96 0.76 0.68 0.41 0.00 0.00 173.24 174.18 1vj6 s VAL 29 N 3.72 5.00 0.33 3.43 -7.23 -1.26 -0.76 120.40 123.62 1vj6 s VAL 29 Ca 0.41 1.56 0.06 0.00 -1.81 0.00 0.00 61.98 62.21 1vj6 s VAL 29 Cb -0.11 -4.10 -0.06 0.00 0.56 0.00 0.00 36.38 32.67 1vj6 s VAL 29 CO 0.22 0.20 -0.02 0.28 -0.31 0.00 0.00 175.10 175.47 1vj6 s THR 30 N 1.04 1.71 0.00 5.32 -1.32 -0.04 -4.86 115.64 117.49 1vj6 s THR 30 Ca 0.40 -2.08 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1vj6 s THR 30 Cb -0.18 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1vj6 s THR 30 CO 0.19 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1vj6 n GLY 31 N -0.72 0.52 0.00 6.08 0.00 -1.26 -0.94 105.19 108.87 1vj6 n GLY 31 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 2.44 0.36 -0.02 0.00 -0.96 -4.39 105.19 102.62 1vj6 n GLY 32 Ca 0.00 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.21 1vj6 n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vj6 h VAL 33 N 0.00 0.86 0.00 1.61 2.07 -1.35 -3.09 116.25 116.35 1vj6 h VAL 33 Ca 0.00 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1vj6 h VAL 33 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1vj6 h VAL 33 CO 0.00 0.05 -0.41 0.78 0.02 0.00 0.00 177.57 178.01 1vj6 h ASN 34 N 0.30 0.00 -0.22 0.57 4.21 -1.86 -3.05 115.58 115.52 1vj6 h ASN 34 Ca 0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 1vj6 h ASN 34 Cb 0.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 1vj6 h ASN 34 CO -0.06 0.41 0.00 0.35 -1.29 0.00 0.00 177.43 176.84 1vj6 n THR 35 N -3.74 0.34 -2.27 2.81 -2.24 -1.17 -5.02 114.28 103.00 1vj6 n THR 35 Ca -0.01 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 1vj6 n THR 35 Cb 0.49 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.14 -5.58 -1.79 3.42 2.88 -1.15 -5.05 113.62 107.48 1vj6 n SER 36 Ca 0.14 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1vj6 n SER 36 Cb 0.51 -3.61 0.00 0.00 -0.75 0.00 0.00 64.21 60.36 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 -0.00 0.00 0.11 2.46 0.24 -1.25 -5.03 118.33 114.86 1vj6 n VAL 37 Ca 0.04 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.28 1vj6 n VAL 37 Cb 0.15 -1.47 -0.03 0.00 -1.47 0.00 0.00 33.84 31.02 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 -0.33 -1.08 7.34 2.43 -1.95 -3.45 114.38 117.34 1vj6 h ARG 38 Ca 0.00 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.35 1vj6 h ARG 38 Cb 0.00 0.08 -0.22 0.00 -0.42 0.00 0.00 29.97 29.40 1vj6 h ARG 38 CO 0.00 -0.22 0.06 -1.58 -1.51 0.00 0.00 179.97 176.72 1vj6 s HIS 39 N -3.89 -0.93 -0.07 2.20 5.65 -1.26 -5.13 115.29 111.86 1vj6 s HIS 39 Ca -0.06 1.38 -0.06 0.00 0.25 0.00 0.00 55.06 56.58 1vj6 s HIS 39 Cb 0.01 0.47 0.02 0.00 -1.18 0.00 0.00 32.58 31.91 1vj6 s HIS 39 CO 0.19 -0.48 0.11 0.41 -0.65 0.00 0.00 174.74 174.32 1vj6 n GLY 40 N 5.22 -5.62 0.00 1.59 0.00 -1.26 -5.05 105.19 100.07 1vj6 n GLY 40 Ca -0.08 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 1.77 0.63 3.61 -0.02 0.00 -1.23 -4.84 105.19 105.10 1vj6 n GLY 41 Ca -0.19 -2.11 -0.25 0.00 0.00 0.00 0.00 46.02 43.47 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 2.61 0.04 -0.61 1.10 -1.01 -2.27 121.20 119.99 1vj6 s ILE 42 Ca 0.00 -2.02 -0.02 0.00 -0.51 0.00 0.00 60.65 58.11 1vj6 s ILE 42 Cb 0.00 -2.76 -0.03 0.00 0.15 0.00 0.00 42.46 39.82 1vj6 s ILE 42 CO 0.00 -0.22 -0.01 -0.31 -2.11 0.00 0.00 174.94 172.30 1vj6 s TYR 43 N -2.52 0.40 -0.26 3.50 1.51 -0.11 -1.26 117.35 118.61 1vj6 s TYR 43 Ca 0.34 -0.84 -0.19 0.00 -1.01 0.00 0.00 57.07 55.37 1vj6 s TYR 43 Cb -0.00 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1vj6 s TYR 43 CO 0.19 -0.33 0.56 0.08 -1.11 0.00 0.00 175.55 174.93 1vj6 s VAL 44 N -3.11 5.04 -0.03 0.71 1.01 -0.49 -0.86 120.40 122.67 1vj6 s VAL 44 Ca -0.01 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 1vj6 s VAL 44 Cb 0.02 -3.87 -0.32 0.00 0.00 0.00 0.00 36.38 32.21 1vj6 s VAL 44 CO -0.07 0.06 0.76 0.50 0.00 0.00 0.00 175.10 176.35 1vj6 h LYS 45 N 7.98 0.43 -2.98 2.72 3.11 -1.28 -1.55 116.57 125.00 1vj6 h LYS 45 Ca -0.28 -0.73 -0.18 0.00 -2.81 0.00 0.00 60.65 56.65 1vj6 h LYS 45 Cb 1.13 0.27 -0.29 0.00 -1.00 0.00 0.00 32.23 32.35 1vj6 h LYS 45 CO 0.74 1.35 -0.44 0.00 -2.81 0.00 0.00 179.45 178.28 1vj6 s ALA 46 N -2.57 -0.65 -0.27 5.00 0.00 -1.23 -4.64 121.76 117.40 1vj6 s ALA 46 Ca -0.14 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 1vj6 s ALA 46 Cb 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1vj6 s ALA 46 CO 0.87 -0.20 0.30 0.42 0.00 0.00 0.00 175.76 177.16 1vj6 s ILE 47 N 1.08 5.23 0.51 0.00 -1.09 -1.26 -2.17 121.20 123.49 1vj6 s ILE 47 Ca -0.08 0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 58.58 1vj6 s ILE 47 Cb -0.09 -3.63 -0.08 0.00 -1.58 0.00 0.00 42.46 37.08 1vj6 s ILE 47 CO -0.08 0.20 1.01 0.27 -1.23 0.00 0.00 174.94 175.11 1vj6 s ILE 48 N 1.92 4.17 -0.89 2.92 -4.36 -1.10 -4.93 121.20 118.93 1vj6 s ILE 48 Ca 0.12 1.18 -0.25 0.00 -0.26 0.00 0.00 60.65 61.44 1vj6 s ILE 48 Cb -0.16 -3.56 0.00 0.00 1.25 0.00 0.00 42.46 40.00 1vj6 s ILE 48 CO 0.10 -0.46 1.67 -2.16 0.24 0.00 0.00 174.94 174.33 1vj6 s PRO 49 N -3.67 3.02 0.00 0.37 0.04 -1.26 -4.23 135.00 129.27 1vj6 s PRO 49 Ca 0.63 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1vj6 s PRO 49 Cb -0.13 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1vj6 s PRO 49 CO 0.26 -2.72 0.00 1.63 0.04 0.00 0.00 177.00 176.21 1vj6 n LYS 50 N 8.98 0.00 -2.19 4.56 5.02 -1.26 -5.15 118.16 128.11 1vj6 n LYS 50 Ca 0.30 0.18 -0.04 0.00 -2.02 0.00 0.00 58.31 56.74 1vj6 n LYS 50 Cb 0.49 -0.40 -0.01 0.00 -0.02 0.00 0.00 35.03 35.10 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 -0.03 2.55 0.27 0.72 0.00 -1.26 -5.04 105.19 102.39 1vj6 n GLY 51 Ca 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 1.71 0.87 -0.22 4.61 0.00 -1.23 -2.10 119.26 122.90 1vj6 h ALA 52 Ca -0.09 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1vj6 h ALA 52 Cb 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vj6 h ALA 52 CO 0.12 0.63 -0.62 0.00 0.00 0.00 0.00 179.25 179.38 1vj6 h ALA 53 N 1.07 0.37 0.00 0.00 0.00 -1.34 -2.33 119.26 117.03 1vj6 h ALA 53 Ca 0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1vj6 h ALA 53 Cb 0.72 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vj6 h ALA 53 CO 0.06 0.64 -0.08 1.49 0.00 0.00 0.00 179.25 181.35 1vj6 h GLU 54 N 0.56 0.00 0.00 0.00 4.57 -1.79 -2.92 114.58 114.99 1vj6 h GLU 54 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1vj6 h GLU 54 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1vj6 h GLU 54 CO 0.13 0.08 0.00 0.45 -1.18 0.00 0.00 179.01 178.49 1vj6 n SER 55 N -4.26 0.44 0.00 1.04 2.88 -0.79 -4.19 113.62 108.75 1vj6 n SER 55 Ca -0.03 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1vj6 n SER 55 Cb 0.16 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 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 -1.96 0.00 0.00 -3.46 2.03 -1.10 -5.01 116.55 107.04 1vj6 n ASP 56 Ca 0.04 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1vj6 n ASP 56 Cb 0.27 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.49 0.91 0.13 0.27 0.00 -1.26 -4.99 105.19 100.73 1vj6 n GLY 57 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.31 -6.74 1.61 -0.00 -1.92 -3.46 114.38 104.17 1vj6 h ARG 58 Ca 0.00 -0.52 -0.53 0.00 -0.50 0.00 0.00 59.98 58.43 1vj6 h ARG 58 Cb 0.00 0.20 0.06 0.00 0.00 0.00 0.00 29.97 30.22 1vj6 h ARG 58 CO 0.00 1.25 0.77 0.42 0.00 0.00 0.00 179.97 182.41 1vj6 s ILE 59 N -2.49 2.65 0.11 2.04 1.01 -1.26 -5.04 121.20 118.21 1vj6 s ILE 59 Ca -0.17 0.54 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1vj6 s ILE 59 Cb 0.04 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1vj6 s ILE 59 CO 0.81 0.08 0.05 0.00 0.00 0.00 0.00 174.94 175.89 1vj6 n HIS 60 N 2.39 -0.04 -2.89 3.97 1.44 -1.26 -4.91 115.22 113.92 1vj6 n HIS 60 Ca 0.07 -0.75 -0.42 0.00 -2.01 0.00 0.00 57.72 54.61 1vj6 n HIS 60 Cb 0.40 0.02 -0.04 0.00 0.12 0.00 0.00 29.99 30.49 1vj6 n HIS 60 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1vj6 s LYS 61 N -2.42 4.26 0.00 -1.40 -2.85 -1.26 -3.48 119.74 112.58 1vj6 s LYS 61 Ca 0.07 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.04 1vj6 s LYS 61 Cb 0.00 -3.60 0.00 0.00 -2.06 0.00 0.00 37.83 32.17 1vj6 s LYS 61 CO 0.05 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1vj6 n GLY 62 N 3.56 1.49 3.79 0.59 0.00 -0.58 -5.00 105.19 109.03 1vj6 n GLY 62 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.20 4.51 -0.18 1.61 1.01 -1.23 -4.64 116.67 117.56 1vj6 s ASP 63 Ca 0.00 1.50 -0.07 0.00 0.71 0.00 0.00 52.55 54.70 1vj6 s ASP 63 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1vj6 s ASP 63 CO 0.00 -1.98 0.04 -0.60 0.21 0.00 0.00 175.17 172.83 1vj6 s ARG 64 N -5.04 3.90 -0.33 8.23 3.52 -0.73 -1.39 118.95 127.10 1vj6 s ARG 64 Ca 0.61 -0.39 -0.11 0.00 -0.13 0.00 0.00 55.73 55.71 1vj6 s ARG 64 Cb -0.15 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 1vj6 s ARG 64 CO 0.55 0.27 0.20 0.54 -0.81 0.00 0.00 175.30 176.05 1vj6 s VAL 65 N 0.37 4.91 -0.19 7.11 0.11 -0.39 -0.07 120.40 132.26 1vj6 s VAL 65 Ca 0.01 -0.39 0.14 0.00 -2.93 0.00 0.00 61.98 58.81 1vj6 s VAL 65 Cb -0.13 -3.55 -0.23 0.00 -1.53 0.00 0.00 36.38 30.94 1vj6 s VAL 65 CO 0.01 -0.01 0.11 0.00 -3.33 0.00 0.00 175.10 171.87 1vj6 n LEU 66 N 5.04 0.71 -3.85 2.54 -0.00 0.05 -2.41 117.00 119.08 1vj6 n LEU 66 Ca -0.13 0.04 -0.09 0.00 -0.00 0.00 0.00 56.01 55.83 1vj6 n LEU 66 Cb 0.49 0.16 -0.07 0.00 -0.00 0.00 0.00 43.42 44.00 1vj6 n LEU 66 CO 0.36 0.57 -0.09 0.00 -0.00 0.00 0.00 177.39 178.23 1vj6 s ALA 67 N -2.51 -0.26 -0.05 1.47 0.00 -1.04 -0.54 121.76 118.83 1vj6 s ALA 67 Ca -0.14 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1vj6 s ALA 67 Cb 0.07 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.68 1vj6 s ALA 67 CO 0.79 -0.49 -0.01 0.08 0.00 0.00 0.00 175.76 176.12 1vj6 s VAL 68 N -3.69 0.35 -1.99 0.00 1.01 0.17 -0.29 120.40 115.95 1vj6 s VAL 68 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1vj6 s VAL 68 Cb 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1vj6 s VAL 68 CO -0.10 0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.80 1vj6 n ASN 69 N 4.48 -5.24 0.00 3.32 4.13 0.21 -0.21 115.26 121.95 1vj6 n ASN 69 Ca -0.19 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1vj6 n ASN 69 Cb 0.50 -4.60 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vj6 n GLY 70 N -0.50 0.91 3.37 7.41 0.00 -1.26 -4.99 105.19 110.13 1vj6 n GLY 70 Ca -0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.37 1vj6 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vj6 s VAL 71 N -2.80 5.14 0.40 1.61 1.01 0.70 -5.04 120.40 121.42 1vj6 s VAL 71 Ca 0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 1vj6 s VAL 71 Cb 0.00 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1vj6 s VAL 71 CO 0.00 -0.76 1.40 -0.55 0.00 0.00 0.00 175.10 175.19 1vj6 s SER 72 N 3.04 6.27 -1.41 3.32 0.15 -1.26 -0.66 113.70 123.15 1vj6 s SER 72 Ca 0.06 2.87 -0.15 0.00 0.70 0.00 0.00 55.95 59.43 1vj6 s SER 72 Cb -0.26 -2.65 0.05 0.00 -1.71 0.00 0.00 66.02 61.45 1vj6 s SER 72 CO 0.06 -0.90 2.09 0.18 1.20 0.00 0.00 173.24 175.87 1vj6 n LEU 73 N 0.25 6.39 -4.53 3.45 4.77 0.30 -4.91 117.00 122.73 1vj6 n LEU 73 Ca 0.03 -4.12 -0.43 0.00 -0.03 0.00 0.00 56.01 51.46 1vj6 n LEU 73 Cb 0.41 -1.67 -0.07 0.00 -2.33 0.00 0.00 43.42 39.76 1vj6 n LEU 73 CO 0.60 0.89 0.38 -1.61 -1.33 0.00 0.00 177.39 176.32 1vj6 s GLU 74 N 3.29 3.38 0.00 3.23 0.41 -1.26 -3.57 118.70 124.17 1vj6 s GLU 74 Ca 0.48 -0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 1vj6 s GLU 74 Cb 0.11 -3.92 0.00 0.00 -1.78 0.00 0.00 34.13 28.55 1vj6 s GLU 74 CO -0.05 -0.94 0.00 0.41 -0.49 0.00 0.00 175.26 174.19 1vj6 n GLY 75 N 4.95 1.46 3.73 -1.39 0.00 -1.26 -5.01 105.19 107.66 1vj6 n GLY 75 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.27 3.30 0.02 4.61 0.00 -1.25 -4.75 121.76 120.42 1vj6 s ALA 76 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1vj6 s ALA 76 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1vj6 s ALA 76 CO 0.00 -0.20 0.00 0.25 0.00 0.00 0.00 175.76 175.81 1vj6 n THR 77 N 3.06 0.00 -0.02 0.00 -2.24 -1.26 -1.23 114.28 112.58 1vj6 n THR 77 Ca 0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1vj6 n THR 77 Cb 0.48 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.00 -0.02 -0.37 4.78 2.76 -1.91 -2.08 115.15 118.31 1vj6 h HIS 78 Ca 0.00 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1vj6 h HIS 78 Cb 0.00 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1vj6 h HIS 78 CO 0.00 0.58 -0.13 0.87 -1.30 0.00 0.00 177.93 177.95 1vj6 h LYS 79 N -0.64 0.74 -0.38 5.26 6.56 -1.96 -2.33 116.57 123.81 1vj6 h LYS 79 Ca -0.00 -0.30 -0.08 0.00 -1.06 0.00 0.00 60.65 59.21 1vj6 h LYS 79 Cb 0.61 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 1vj6 h LYS 79 CO 0.00 0.90 -0.08 0.37 -2.06 0.00 0.00 179.45 178.58 1vj6 h GLN 80 N 0.53 0.65 -0.83 3.15 4.15 -1.93 -2.07 115.11 118.75 1vj6 h GLN 80 Ca 0.09 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1vj6 h GLN 80 Cb 0.66 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1vj6 h GLN 80 CO 0.04 0.73 0.45 0.00 -1.93 0.00 0.00 178.83 178.12 1vj6 h ALA 81 N 1.31 1.07 0.32 3.38 0.00 -1.28 -0.37 119.26 123.69 1vj6 h ALA 81 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vj6 h ALA 81 Cb 0.50 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1vj6 h ALA 81 CO 0.03 0.58 -0.34 0.28 0.00 0.00 0.00 179.25 179.80 1vj6 h VAL 82 N 1.16 0.29 -0.64 0.00 2.07 -1.17 -2.40 116.25 115.57 1vj6 h VAL 82 Ca 0.29 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.93 1vj6 h VAL 82 Cb 0.04 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.01 1vj6 h VAL 82 CO -0.05 0.00 0.14 -0.33 0.02 0.00 0.00 177.57 177.36 1vj6 h GLU 83 N -0.70 0.26 -0.08 1.57 4.39 -1.22 0.28 114.58 119.08 1vj6 h GLU 83 Ca -0.02 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1vj6 h GLU 83 Cb 0.64 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1vj6 h GLU 83 CO -0.08 0.17 0.05 1.15 -1.16 0.00 0.00 179.01 179.15 1vj6 h THR 84 N 0.27 0.99 0.12 1.13 2.02 -0.86 0.26 112.91 116.84 1vj6 h THR 84 Ca 0.34 -0.02 -0.35 0.00 0.77 0.00 0.00 66.41 67.15 1vj6 h THR 84 Cb 0.52 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1vj6 h THR 84 CO -0.42 0.01 -1.91 -0.07 0.37 0.00 0.00 175.52 173.49 1vj6 h LEU 85 N 0.05 0.40 0.12 2.58 3.38 -0.80 -3.41 115.31 117.63 1vj6 h LEU 85 Ca 0.03 -0.83 -0.28 0.00 0.09 0.00 0.00 57.88 56.89 1vj6 h LEU 85 Cb 0.07 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vj6 h LEU 85 CO -0.00 1.74 -1.26 -0.09 0.09 0.00 0.00 178.44 178.91 1vj6 h ARG 86 N 0.07 0.37 -0.41 1.13 1.12 -0.02 -3.35 114.38 113.29 1vj6 h ARG 86 Ca -0.39 -0.59 0.00 0.00 -1.11 0.00 0.00 59.98 57.89 1vj6 h ARG 86 Cb 2.04 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 32.21 1vj6 h ARG 86 CO 0.10 1.27 0.00 0.27 -3.11 0.00 0.00 179.97 178.50 1vj6 n ASN 87 N -3.61 0.41 -4.92 -3.80 2.04 0.87 -4.85 115.26 101.39 1vj6 n ASN 87 Ca -0.10 -1.60 -0.26 0.00 -0.44 0.00 0.00 54.58 52.18 1vj6 n ASN 87 Cb 1.02 -0.21 -0.01 0.00 -2.53 0.00 0.00 39.78 38.05 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1vj6 s THR 88 N -1.49 5.02 -0.05 5.53 -4.23 -1.26 -5.06 115.64 114.11 1vj6 s THR 88 Ca 0.00 -0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.28 1vj6 s THR 88 Cb 0.00 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 1vj6 s THR 88 CO 0.00 -0.60 0.40 1.23 -0.54 0.00 0.00 174.62 175.11 1vj6 h GLY 89 N 0.78 -0.32 0.00 3.99 0.00 -1.93 -3.49 103.07 102.10 1vj6 h GLY 89 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1vj6 h GLY 89 CO 0.62 -0.12 0.00 -0.18 0.00 0.00 0.00 176.54 176.87 1vj6 n GLN 90 N -4.52 0.00 -2.36 4.80 7.27 -1.26 -5.09 117.38 116.22 1vj6 n GLN 90 Ca -0.04 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.61 1vj6 n GLN 90 Cb 0.12 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.74 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 -1.52 3.90 -0.34 1.69 1.01 -1.26 -3.79 120.40 120.10 1vj6 s VAL 91 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 1vj6 s VAL 91 Cb 0.00 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.59 1vj6 s VAL 91 CO 0.00 0.08 0.06 -0.69 0.00 0.00 0.00 175.10 174.55 1vj6 s VAL 92 N 1.31 2.89 -0.56 2.92 1.01 0.87 -4.94 120.40 123.89 1vj6 s VAL 92 Ca 0.60 -1.77 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 1vj6 s VAL 92 Cb -0.30 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1vj6 s VAL 92 CO 0.28 -0.36 1.26 -1.00 0.00 0.00 0.00 175.10 175.29 1vj6 s HIS 93 N 1.15 2.51 -0.45 5.22 3.76 -1.26 -0.58 115.29 125.64 1vj6 s HIS 93 Ca 0.01 0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 55.14 1vj6 s HIS 93 Cb -0.21 -4.47 0.02 0.00 1.11 0.00 0.00 32.58 29.04 1vj6 s HIS 93 CO -0.04 -1.71 0.82 -0.51 -0.85 0.00 0.00 174.74 172.46 1vj6 s LEU 94 N 5.27 4.17 -0.64 0.89 1.43 0.21 -0.62 118.68 129.39 1vj6 s LEU 94 Ca 0.47 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 53.32 1vj6 s LEU 94 Cb -0.09 -3.03 0.05 0.00 0.03 0.00 0.00 46.19 43.15 1vj6 s LEU 94 CO 0.26 -0.94 1.02 -0.22 0.23 0.00 0.00 176.35 176.70 1vj6 s LEU 95 N 3.41 4.06 -0.03 1.79 0.20 0.60 -0.82 118.68 127.87 1vj6 s LEU 95 Ca 0.32 -0.68 -0.01 0.00 0.69 0.00 0.00 54.13 54.46 1vj6 s LEU 95 Cb -0.12 -2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 1vj6 s LEU 95 CO 0.23 -1.45 0.04 -0.76 -0.29 0.00 0.00 176.35 174.12 1vj6 s LEU 96 N 4.36 3.72 0.00 -0.68 1.43 -0.26 -0.77 118.68 126.48 1vj6 s LEU 96 Ca 0.27 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1vj6 s LEU 96 Cb -0.14 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1vj6 s LEU 96 CO 0.14 0.31 -0.14 -0.70 0.23 0.00 0.00 176.35 176.20 1vj6 s GLU 97 N -1.39 2.34 0.00 1.70 2.12 0.90 -1.19 118.70 123.20 1vj6 s GLU 97 Ca 0.19 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1vj6 s GLU 97 Cb -0.12 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.91 1vj6 s GLU 97 CO 0.09 0.58 1.04 0.15 -0.54 0.00 0.00 175.26 176.58 1vj6 s LYS 98 N -1.19 4.51 0.00 4.30 -0.14 -1.25 -1.77 119.74 124.19 1vj6 s LYS 98 Ca 0.14 1.50 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 1vj6 s LYS 98 Cb -0.11 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.60 1vj6 s LYS 98 CO 0.04 -0.13 0.56 0.41 -0.76 0.00 0.00 175.35 175.47 1vj6 n GLY 99 N 3.00 -1.75 0.00 -3.33 0.00 -1.26 -4.34 105.19 97.52 1vj6 n GLY 99 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.38 0.00 -3.53 1.61 10.64 -1.26 -4.58 117.38 118.88 1vj6 n GLN 100 Ca 0.00 -0.01 -0.39 0.00 -1.83 0.00 0.00 57.00 54.77 1vj6 n GLN 100 Cb 0.00 -0.02 -0.10 0.00 -0.86 0.00 0.00 30.24 29.26 1vj6 n GLN 100 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1vj6 s VAL 101 N 0.00 5.27 -2.00 -0.39 1.01 -1.26 -4.96 120.40 118.07 1vj6 s VAL 101 Ca 0.00 0.12 0.14 0.00 0.00 0.00 0.00 61.98 62.24 1vj6 s VAL 101 Cb 0.00 -3.63 0.41 0.00 0.00 0.00 0.00 36.38 33.16 1vj6 s VAL 101 CO 0.00 0.14 1.28 -2.65 0.00 0.00 0.00 175.10 173.87