#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vj6 s LYS 9 N 0.00 1.08 0.40 3.17 -0.14 -1.26 -5.14 119.74 117.85 1vj6 s LYS 9 Ca 0.00 -1.43 -0.23 0.00 -1.36 0.00 0.00 55.97 52.95 1vj6 s LYS 9 Cb 0.00 -0.73 -0.10 0.00 -1.68 0.00 0.00 37.83 35.32 1vj6 s LYS 9 CO 0.00 0.11 1.00 -1.25 -0.76 0.00 0.00 175.35 174.45 1vj6 s PRO 10 N -3.53 4.22 -0.18 -1.68 0.04 -1.26 -4.51 135.00 128.09 1vj6 s PRO 10 Ca 0.16 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1vj6 s PRO 10 Cb 0.01 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1vj6 s PRO 10 CO 0.02 -0.07 0.16 0.41 0.04 0.00 0.00 177.00 177.56 1vj6 n GLY 11 N 0.08 0.38 2.61 0.56 0.00 -1.26 -5.00 105.19 102.56 1vj6 n GLY 11 Ca 0.05 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.94 2.88 0.01 1.61 2.15 -1.26 -5.06 116.67 114.06 1vj6 s ASP 12 Ca 0.07 -1.18 -0.26 0.00 0.43 0.00 0.00 52.55 51.62 1vj6 s ASP 12 Cb -0.01 -0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.50 1vj6 s ASP 12 CO 0.14 -0.41 0.80 0.42 -0.17 0.00 0.00 175.17 175.95 1vj6 s THR 13 N 2.11 4.83 -0.15 1.71 -4.23 -1.26 -3.65 115.64 115.01 1vj6 s THR 13 Ca 0.10 1.69 0.00 0.00 -1.18 0.00 0.00 61.69 62.30 1vj6 s THR 13 Cb -0.16 -4.15 -0.01 0.00 1.34 0.00 0.00 72.50 69.53 1vj6 s THR 13 CO -0.33 0.29 -0.15 0.72 -0.54 0.00 0.00 174.62 174.61 1vj6 s PHE 14 N 0.41 2.79 -0.97 3.99 -0.71 0.25 -4.98 117.98 118.75 1vj6 s PHE 14 Ca 0.41 -0.93 -0.12 0.00 -1.04 0.00 0.00 56.93 55.25 1vj6 s PHE 14 Cb -0.20 -1.88 0.24 0.00 -1.21 0.00 0.00 43.02 39.98 1vj6 s PHE 14 CO 0.23 -0.41 0.94 -1.21 -1.34 0.00 0.00 175.22 173.44 1vj6 s GLU 15 N 0.70 3.89 -0.34 1.99 2.02 -1.26 -1.15 118.70 124.55 1vj6 s GLU 15 Ca -0.07 -2.80 -0.28 0.00 0.02 0.00 0.00 54.97 51.84 1vj6 s GLU 15 Cb -0.16 -4.50 0.02 0.00 0.10 0.00 0.00 34.13 29.59 1vj6 s GLU 15 CO 0.02 -1.28 1.04 0.08 0.02 0.00 0.00 175.26 175.13 1vj6 s VAL 16 N -0.44 4.51 -0.26 2.63 1.01 -0.17 -4.84 120.40 122.85 1vj6 s VAL 16 Ca 0.24 1.56 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 1vj6 s VAL 16 Cb -0.10 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 1vj6 s VAL 16 CO -0.08 -0.53 0.07 -1.83 0.00 0.00 0.00 175.10 172.73 1vj6 s GLU 17 N 3.66 3.48 0.42 2.72 -1.05 -1.26 0.54 118.70 127.20 1vj6 s GLU 17 Ca 0.44 -0.59 0.02 0.00 -0.15 0.00 0.00 54.97 54.68 1vj6 s GLU 17 Cb -0.12 -3.32 -0.01 0.00 -0.44 0.00 0.00 34.13 30.24 1vj6 s GLU 17 CO 0.17 -0.26 0.08 1.28 0.95 0.00 0.00 175.26 177.48 1vj6 n LEU 18 N 4.90 0.00 -3.86 1.83 4.77 0.59 -4.96 117.00 120.27 1vj6 n LEU 18 Ca -0.16 -2.92 -0.21 0.00 -0.03 0.00 0.00 56.01 52.69 1vj6 n LEU 18 Cb 0.50 0.69 -0.17 0.00 -2.33 0.00 0.00 43.42 42.11 1vj6 n LEU 18 CO 0.31 -0.43 -0.40 0.00 -1.33 0.00 0.00 177.39 175.53 1vj6 s ALA 19 N -2.93 0.71 0.48 -1.18 0.00 -1.26 -1.63 121.76 115.94 1vj6 s ALA 19 Ca 0.11 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.75 1vj6 s ALA 19 Cb 0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 1vj6 s ALA 19 CO 0.08 -0.14 1.20 0.15 0.00 0.00 0.00 175.76 177.05 1vj6 s LYS 20 N 1.20 3.61 -0.78 0.00 3.01 -1.09 -4.88 119.74 120.82 1vj6 s LYS 20 Ca -0.07 1.86 -0.16 0.00 -1.01 0.00 0.00 55.97 56.59 1vj6 s LYS 20 Cb -0.14 -2.36 0.17 0.00 -1.01 0.00 0.00 37.83 34.50 1vj6 s LYS 20 CO -0.02 -0.69 0.79 -0.08 0.51 0.00 0.00 175.35 175.86 1vj6 s THR 21 N -1.51 5.28 -1.45 2.17 -1.32 0.78 -4.47 115.64 115.12 1vj6 s THR 21 Ca 0.66 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1vj6 s THR 21 Cb -0.31 -4.51 0.00 0.00 -1.51 0.00 0.00 72.50 66.17 1vj6 s THR 21 CO 0.37 -1.11 0.00 -0.67 -2.21 0.00 0.00 174.62 170.99 1vj6 n ASP 22 N 4.97 -4.72 -0.88 8.08 2.03 -1.26 -3.36 116.55 121.42 1vj6 n ASP 22 Ca 0.09 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1vj6 n ASP 22 Cb 0.46 -3.74 0.00 0.00 -0.72 0.00 0.00 41.12 37.12 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 -1.05 0.51 0.00 0.27 0.00 -1.26 -5.11 105.19 98.55 1vj6 n GLY 23 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.72 0.00 0.10 1.61 2.88 -1.21 -4.99 113.62 111.29 1vj6 n SER 24 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1vj6 n SER 24 Cb 0.29 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.55 0.00 2.46 3.38 -1.92 0.22 115.31 120.00 1vj6 h LEU 25 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1vj6 h LEU 25 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1vj6 h LEU 25 CO 0.00 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.53 1vj6 n GLY 26 N 1.37 0.82 3.07 0.83 0.00 -1.26 0.04 105.19 110.06 1vj6 n GLY 26 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.57 1.19 -0.49 -0.61 -4.36 -1.26 -2.97 121.20 111.12 1vj6 s ILE 27 Ca 0.00 -0.56 -0.22 0.00 -0.26 0.00 0.00 60.65 59.61 1vj6 s ILE 27 Cb 0.00 -1.05 0.04 0.00 1.25 0.00 0.00 42.46 42.70 1vj6 s ILE 27 CO 0.00 0.36 0.78 -0.44 0.24 0.00 0.00 174.94 175.88 1vj6 s SER 28 N 0.28 6.35 0.20 4.36 0.01 -0.61 -5.00 113.70 119.28 1vj6 s SER 28 Ca -0.07 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 1vj6 s SER 28 Cb -0.12 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.65 1vj6 s SER 28 CO 0.02 -0.98 1.01 0.68 0.41 0.00 0.00 173.24 174.39 1vj6 s VAL 29 N 3.29 4.02 0.22 3.43 -7.23 -1.26 -1.02 120.40 121.86 1vj6 s VAL 29 Ca 0.26 1.86 0.02 0.00 -1.81 0.00 0.00 61.98 62.32 1vj6 s VAL 29 Cb -0.14 -4.19 -0.05 0.00 0.56 0.00 0.00 36.38 32.57 1vj6 s VAL 29 CO 0.19 0.37 0.02 0.28 -0.31 0.00 0.00 175.10 175.66 1vj6 s THR 30 N -0.65 0.81 0.00 5.32 -1.32 -0.10 -4.80 115.64 114.90 1vj6 s THR 30 Ca 0.45 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 1vj6 s THR 30 Cb -0.27 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1vj6 s THR 30 CO 0.34 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1vj6 n GLY 31 N -0.38 0.56 0.00 6.08 0.00 -1.26 -0.96 105.19 109.23 1vj6 n GLY 31 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.74 0.09 -0.02 0.00 -0.97 -4.20 105.19 98.36 1vj6 n GLY 32 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.32 0.00 -0.10 1.61 0.24 0.13 -2.46 118.33 116.43 1vj6 n VAL 33 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1vj6 n VAL 33 Cb 0.00 -0.24 -0.01 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.09 0.95 -1.08 -1.34 -0.73 -1.83 -3.46 115.58 108.18 1vj6 h ASN 34 Ca 0.00 -0.45 0.00 0.00 1.87 0.00 0.00 56.30 57.72 1vj6 h ASN 34 Cb 0.05 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.37 1vj6 h ASN 34 CO 0.00 1.23 0.00 0.35 -0.37 0.00 0.00 177.43 178.64 1vj6 n THR 35 N -4.04 0.00 -3.88 -3.57 -2.24 -1.03 -5.06 114.28 94.45 1vj6 n THR 35 Ca -0.03 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1vj6 n THR 35 Cb 0.56 -0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1vj6 n THR 35 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1vj6 s SER 36 N -1.00 4.86 -0.72 3.42 0.01 -1.26 -5.00 113.70 114.01 1vj6 s SER 36 Ca 0.00 -3.70 0.03 0.00 1.31 0.00 0.00 55.95 53.60 1vj6 s SER 36 Cb 0.00 -1.67 0.17 0.00 0.21 0.00 0.00 66.02 64.74 1vj6 s SER 36 CO 0.00 -0.12 0.52 0.54 0.41 0.00 0.00 173.24 174.59 1vj6 s VAL 37 N -1.24 3.16 0.00 3.43 0.11 -1.26 -4.96 120.40 119.64 1vj6 s VAL 37 Ca 0.24 -4.07 0.00 0.00 -2.93 0.00 0.00 61.98 55.22 1vj6 s VAL 37 Cb -0.08 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1vj6 s VAL 37 CO -0.13 -0.99 0.00 0.54 -3.33 0.00 0.00 175.10 171.18 1vj6 n ARG 38 N 2.20 0.00 -2.75 1.54 5.12 -1.26 -2.64 116.66 118.87 1vj6 n ARG 38 Ca 0.18 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.00 1vj6 n ARG 38 Cb 0.35 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.70 1vj6 n ARG 38 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1vj6 n HIS 39 N 0.00 -0.26 0.00 -1.55 -0.00 -1.26 -5.11 115.22 107.04 1vj6 n HIS 39 Ca 0.00 -2.66 0.00 0.00 0.46 0.00 0.00 57.72 55.52 1vj6 n HIS 39 Cb 0.00 0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 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 -0.12 2.55 0.00 1.57 0.00 -1.08 -4.96 105.19 103.15 1vj6 n GLY 40 Ca 0.08 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 1.44 -0.24 3.55 -0.02 0.00 -1.26 -4.95 105.19 103.71 1vj6 n GLY 41 Ca 0.00 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 3.06 0.02 -0.61 1.10 -1.02 -2.28 121.20 119.47 1vj6 s ILE 42 Ca 0.00 -1.76 0.01 0.00 -0.51 0.00 0.00 60.65 58.39 1vj6 s ILE 42 Cb 0.00 -2.52 -0.02 0.00 0.15 0.00 0.00 42.46 40.07 1vj6 s ILE 42 CO 0.00 -0.14 -0.04 -0.31 -2.11 0.00 0.00 174.94 172.34 1vj6 s TYR 43 N -1.77 0.35 0.02 3.50 1.51 -0.13 -0.80 117.35 120.03 1vj6 s TYR 43 Ca 0.25 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 1vj6 s TYR 43 Cb -0.08 -0.23 -0.05 0.00 -0.11 0.00 0.00 41.96 41.48 1vj6 s TYR 43 CO 0.15 -0.14 1.26 0.08 -1.11 0.00 0.00 175.55 175.79 1vj6 s VAL 44 N -1.26 3.97 -0.05 0.71 1.01 -0.52 -0.93 120.40 123.33 1vj6 s VAL 44 Ca -0.12 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.20 1vj6 s VAL 44 Cb -0.09 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1vj6 s VAL 44 CO -0.01 0.05 -0.06 0.50 0.00 0.00 0.00 175.10 175.59 1vj6 h LYS 45 N 7.22 0.00 -5.36 2.72 3.11 -1.39 -3.29 116.57 119.58 1vj6 h LYS 45 Ca -0.39 0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 56.85 1vj6 h LYS 45 Cb 1.19 0.00 -0.32 0.00 -1.00 0.00 0.00 32.23 32.10 1vj6 h LYS 45 CO 0.86 0.00 -0.85 0.00 -2.81 0.00 0.00 179.45 176.64 1vj6 s ALA 46 N -2.88 1.75 -0.04 5.00 0.00 -1.18 -4.62 121.76 119.78 1vj6 s ALA 46 Ca -0.05 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1vj6 s ALA 46 Cb 0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 1vj6 s ALA 46 CO 0.07 0.29 0.40 0.42 0.00 0.00 0.00 175.76 176.94 1vj6 s ILE 47 N 0.14 5.09 0.31 0.00 -1.09 -1.26 -1.57 121.20 122.82 1vj6 s ILE 47 Ca -0.08 0.82 -0.27 0.00 -2.23 0.00 0.00 60.65 58.89 1vj6 s ILE 47 Cb -0.14 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 36.93 1vj6 s ILE 47 CO 0.04 0.51 0.98 -0.63 -1.23 0.00 0.00 174.94 174.61 1vj6 s ILE 48 N -0.60 4.02 -0.69 2.92 1.01 -1.16 -4.97 121.20 121.73 1vj6 s ILE 48 Ca 0.23 1.77 -0.26 0.00 0.00 0.00 0.00 60.65 62.39 1vj6 s ILE 48 Cb -0.16 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 1vj6 s ILE 48 CO 0.12 0.23 2.24 -2.16 0.00 0.00 0.00 174.94 175.37 1vj6 s PRO 49 N -1.85 2.08 -0.12 2.79 0.04 -1.26 -4.00 135.00 132.68 1vj6 s PRO 49 Ca 0.49 0.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 1vj6 s PRO 49 Cb -0.22 -4.71 0.01 0.00 0.04 0.00 0.00 34.50 29.61 1vj6 s PRO 49 CO 0.28 -3.64 0.11 1.63 0.04 0.00 0.00 177.00 175.42 1vj6 n LYS 50 N 8.94 -1.07 0.00 4.56 5.02 -1.26 -5.09 118.16 129.27 1vj6 n LYS 50 Ca 0.38 1.22 0.00 0.00 -2.02 0.00 0.00 58.31 57.89 1vj6 n LYS 50 Cb 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.96 1.54 0.11 0.72 0.00 -1.26 -5.00 105.19 102.27 1vj6 n GLY 51 Ca -0.01 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.88 -0.07 -0.14 4.61 0.00 -1.45 -3.35 119.26 117.98 1vj6 h ALA 52 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 1vj6 h ALA 52 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vj6 h ALA 52 CO 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 179.25 179.34 1vj6 h ALA 53 N 0.07 0.23 -0.09 0.00 0.00 -0.68 -3.08 119.26 115.70 1vj6 h ALA 53 Ca -0.15 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1vj6 h ALA 53 Cb 1.63 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1vj6 h ALA 53 CO 0.14 0.26 0.09 1.49 0.00 0.00 0.00 179.25 181.23 1vj6 h GLU 54 N 0.07 0.00 -0.35 0.00 4.81 -1.81 -1.58 114.58 115.72 1vj6 h GLU 54 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1vj6 h GLU 54 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1vj6 h GLU 54 CO 0.07 0.00 0.32 0.66 -0.73 0.00 0.00 179.01 179.33 1vj6 h SER 55 N 0.00 0.00 0.00 1.04 4.64 -1.67 -2.81 113.55 114.75 1vj6 h SER 55 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1vj6 h SER 55 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1vj6 h SER 55 CO -0.00 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.29 1vj6 n ASP 56 N -4.00 0.00 0.00 4.97 2.03 -0.60 -4.97 116.55 113.99 1vj6 n ASP 56 Ca 0.06 0.81 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1vj6 n ASP 56 Cb 0.49 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.85 1.30 0.10 0.27 0.00 -1.06 -4.93 105.19 100.03 1vj6 n GLY 57 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.51 0.00 -7.01 1.61 3.08 -1.91 -3.46 114.38 107.20 1vj6 h ARG 58 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1vj6 h ARG 58 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 1vj6 h ARG 58 CO 0.00 0.74 0.48 0.42 -1.07 0.00 0.00 179.97 180.53 1vj6 s ILE 59 N -2.91 3.14 0.06 2.04 1.01 -1.26 -5.07 121.20 118.20 1vj6 s ILE 59 Ca 0.02 0.84 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 1vj6 s ILE 59 Cb 0.09 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1vj6 s ILE 59 CO 0.78 -0.02 0.08 0.00 0.00 0.00 0.00 174.94 175.77 1vj6 n HIS 60 N -0.54 -0.60 -2.46 3.97 1.44 -1.26 -5.02 115.22 110.75 1vj6 n HIS 60 Ca 0.08 -0.39 -0.39 0.00 -2.01 0.00 0.00 57.72 55.01 1vj6 n HIS 60 Cb 0.48 0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.65 1vj6 n HIS 60 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1vj6 s LYS 61 N -2.13 3.28 0.00 -1.40 1.02 -1.26 -3.60 119.74 115.65 1vj6 s LYS 61 Ca 0.05 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1vj6 s LYS 61 Cb -0.00 -4.90 0.00 0.00 -0.52 0.00 0.00 37.83 32.41 1vj6 s LYS 61 CO 0.03 -2.36 0.00 0.41 -0.92 0.00 0.00 175.35 172.51 1vj6 n GLY 62 N 6.34 0.03 3.77 -3.33 0.00 -1.24 -5.03 105.19 105.74 1vj6 n GLY 62 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 5.34 -0.24 1.61 1.01 -1.24 -4.12 116.67 119.03 1vj6 s ASP 63 Ca 0.00 2.04 -0.07 0.00 0.71 0.00 0.00 52.55 55.23 1vj6 s ASP 63 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1vj6 s ASP 63 CO 0.00 -1.47 0.08 0.00 0.21 0.00 0.00 175.17 173.98 1vj6 s ARG 64 N -3.84 3.71 -0.45 8.23 1.04 0.21 -1.43 118.95 126.42 1vj6 s ARG 64 Ca 0.69 -0.45 -0.22 0.00 -1.04 0.00 0.00 55.73 54.70 1vj6 s ARG 64 Cb -0.21 -3.33 0.03 0.00 -2.04 0.00 0.00 34.95 29.40 1vj6 s ARG 64 CO 0.37 -0.13 0.72 0.08 -0.04 0.00 0.00 175.30 176.30 1vj6 s VAL 65 N 1.46 4.73 -0.23 4.99 1.01 0.02 -0.71 120.40 131.67 1vj6 s VAL 65 Ca 0.06 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1vj6 s VAL 65 Cb -0.15 -4.28 -0.20 0.00 0.00 0.00 0.00 36.38 31.75 1vj6 s VAL 65 CO 0.04 -0.69 -0.09 0.00 0.00 0.00 0.00 175.10 174.36 1vj6 n LEU 66 N 6.52 2.11 -3.82 3.92 -0.00 -0.62 -2.44 117.00 122.67 1vj6 n LEU 66 Ca -0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 56.01 55.85 1vj6 n LEU 66 Cb 0.48 -0.52 -0.04 0.00 -0.00 0.00 0.00 43.42 43.34 1vj6 n LEU 66 CO 0.56 0.80 0.26 0.00 -0.00 0.00 0.00 177.39 179.02 1vj6 s ALA 67 N -2.52 -0.77 -0.07 1.47 0.00 -1.07 -1.15 121.76 117.66 1vj6 s ALA 67 Ca -0.27 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1vj6 s ALA 67 Cb 0.08 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.14 1vj6 s ALA 67 CO 0.68 -0.84 0.13 0.54 0.00 0.00 0.00 175.76 176.27 1vj6 s VAL 68 N -3.92 -0.16 -0.90 0.00 0.11 -0.12 -0.94 120.40 114.48 1vj6 s VAL 68 Ca 0.13 0.31 -0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1vj6 s VAL 68 Cb -0.01 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.61 1vj6 s VAL 68 CO 0.01 0.13 0.08 0.59 -3.33 0.00 0.00 175.10 172.58 1vj6 n ASN 69 N 4.92 -3.35 -0.11 3.54 3.02 -0.27 -0.54 115.26 122.48 1vj6 n ASN 69 Ca -0.12 0.15 -0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1vj6 n ASN 69 Cb 0.50 -2.86 -0.00 0.00 -0.61 0.00 0.00 39.78 36.81 1vj6 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vj6 n GLY 70 N -0.81 0.44 3.13 7.41 0.00 -1.26 -5.02 105.19 109.08 1vj6 n GLY 70 Ca -0.10 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.05 3.52 0.28 1.61 1.01 0.30 -5.08 120.40 119.99 1vj6 s VAL 71 Ca 0.00 -2.12 -0.29 0.00 0.00 0.00 0.00 61.98 59.57 1vj6 s VAL 71 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 1vj6 s VAL 71 CO 0.00 -0.73 1.34 -0.44 0.00 0.00 0.00 175.10 175.27 1vj6 s SER 72 N 1.85 6.76 -1.26 3.32 0.01 -1.26 -0.94 113.70 122.18 1vj6 s SER 72 Ca 0.09 2.63 -0.09 0.00 1.31 0.00 0.00 55.95 59.89 1vj6 s SER 72 Cb -0.23 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.30 1vj6 s SER 72 CO -0.04 -0.58 2.49 0.18 0.41 0.00 0.00 173.24 175.71 1vj6 n LEU 73 N 1.56 6.72 -4.60 2.44 4.77 -0.30 -4.91 117.00 122.68 1vj6 n LEU 73 Ca 0.03 -3.63 -0.43 0.00 -0.03 0.00 0.00 56.01 51.95 1vj6 n LEU 73 Cb 0.42 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 1vj6 n LEU 73 CO 0.59 1.25 1.40 -0.70 -1.33 0.00 0.00 177.39 178.59 1vj6 s GLU 74 N 2.93 3.46 -1.36 3.23 2.12 -1.26 -3.18 118.70 124.65 1vj6 s GLU 74 Ca 0.54 1.23 -0.00 0.00 0.36 0.00 0.00 54.97 57.10 1vj6 s GLU 74 Cb 0.14 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.42 1vj6 s GLU 74 CO -0.04 -1.70 0.05 0.41 -0.54 0.00 0.00 175.26 173.44 1vj6 n GLY 75 N 5.24 -0.29 3.82 -1.50 0.00 -1.26 -5.00 105.19 106.20 1vj6 n GLY 75 Ca 0.20 -0.19 -0.38 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 -2.83 3.62 0.10 4.61 0.00 -1.19 -4.80 121.76 121.28 1vj6 s ALA 76 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1vj6 s ALA 76 Cb -0.01 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1vj6 s ALA 76 CO 0.03 0.43 0.00 0.25 0.00 0.00 0.00 175.76 176.47 1vj6 n THR 77 N 1.66 0.00 -0.04 0.00 -2.24 -1.26 -0.70 114.28 111.70 1vj6 n THR 77 Ca -0.11 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1vj6 n THR 77 Cb 0.51 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.53 0.27 4.78 -0.00 -1.88 -1.44 115.15 117.40 1vj6 h HIS 78 Ca 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.37 60.15 1vj6 h HIS 78 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1vj6 h HIS 78 CO 0.00 0.92 -0.13 -0.22 -0.00 0.00 0.00 177.93 178.50 1vj6 h LYS 79 N -0.01 -0.35 0.00 5.26 3.11 -1.95 -2.15 116.57 120.49 1vj6 h LYS 79 Ca -0.00 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.79 1vj6 h LYS 79 Cb 0.91 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 1vj6 h LYS 79 CO 0.06 -0.11 -0.35 0.37 -2.81 0.00 0.00 179.45 176.61 1vj6 h GLN 80 N -0.54 0.00 -0.43 1.90 4.15 -1.92 -1.66 115.11 116.60 1vj6 h GLN 80 Ca -0.04 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.24 1vj6 h GLN 80 Cb 0.40 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1vj6 h GLN 80 CO 0.06 0.35 -0.31 0.00 -1.93 0.00 0.00 178.83 177.00 1vj6 h ALA 81 N 1.65 0.62 0.13 3.38 0.00 -1.27 -2.07 119.26 121.69 1vj6 h ALA 81 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1vj6 h ALA 81 Cb 0.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1vj6 h ALA 81 CO 0.05 0.67 -0.15 0.28 0.00 0.00 0.00 179.25 180.10 1vj6 h VAL 82 N 0.81 0.67 -0.92 0.00 2.07 -0.71 -2.29 116.25 115.87 1vj6 h VAL 82 Ca 0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.73 1vj6 h VAL 82 Cb 0.90 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.25 1vj6 h VAL 82 CO 0.08 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 177.89 1vj6 h GLU 83 N -0.31 0.82 -0.96 1.57 5.08 -1.35 0.14 114.58 119.57 1vj6 h GLU 83 Ca 0.01 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1vj6 h GLU 83 Cb 0.31 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1vj6 h GLU 83 CO -0.05 0.54 0.62 1.15 -1.00 0.00 0.00 179.01 180.27 1vj6 h THR 84 N 0.85 1.07 0.00 1.13 2.02 -1.01 -1.60 112.91 115.37 1vj6 h THR 84 Ca 0.47 -0.38 -0.26 0.00 0.77 0.00 0.00 66.41 67.01 1vj6 h THR 84 Cb 0.52 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 1vj6 h THR 84 CO -0.29 0.20 -1.75 0.18 0.37 0.00 0.00 175.52 174.23 1vj6 n LEU 85 N -4.50 0.69 -0.06 2.58 4.77 -0.67 -4.55 117.00 115.26 1vj6 n LEU 85 Ca 0.15 0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 56.25 1vj6 n LEU 85 Cb 0.20 0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1vj6 n LEU 85 CO 0.32 0.32 -0.30 0.08 -1.33 0.00 0.00 177.39 176.49 1vj6 h ARG 86 N 0.00 0.07 -1.67 3.23 -0.00 -0.67 -3.38 114.38 111.97 1vj6 h ARG 86 Ca -0.29 -0.13 -0.43 0.00 -0.00 0.00 0.00 59.98 59.14 1vj6 h ARG 86 Cb 1.89 0.05 -0.17 0.00 -0.00 0.00 0.00 29.97 31.74 1vj6 h ARG 86 CO 0.06 1.06 0.46 -1.71 -0.00 0.00 0.00 179.97 179.84 1vj6 n ASN 87 N -4.30 6.60 -0.61 0.08 5.15 -0.61 -4.78 115.26 116.79 1vj6 n ASN 87 Ca -0.25 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.53 1vj6 n ASN 87 Cb 0.71 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1vj6 n THR 88 N 0.43 0.00 0.00 -0.44 -2.24 -1.26 -4.99 114.28 105.78 1vj6 n THR 88 Ca 0.40 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 1vj6 n THR 88 Cb 0.57 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 5.00 1.46 0.11 3.38 0.00 -1.26 -5.05 105.19 108.82 1vj6 n GLY 89 Ca 0.00 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 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 0.56 -2.46 1.61 7.27 -1.26 -4.89 117.38 118.20 1vj6 n GLN 90 Ca 0.00 0.48 -0.42 0.00 0.07 0.00 0.00 57.00 57.13 1vj6 n GLN 90 Cb 0.00 -1.66 -0.03 0.00 2.41 0.00 0.00 30.24 30.95 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 -2.41 3.96 -0.23 1.69 1.01 -1.26 -2.69 120.40 120.47 1vj6 s VAL 91 Ca -0.30 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.22 1vj6 s VAL 91 Cb 0.08 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.53 1vj6 s VAL 91 CO 0.52 0.19 -0.08 -0.69 0.00 0.00 0.00 175.10 175.03 1vj6 s VAL 92 N 0.44 1.70 -0.64 2.92 1.01 -0.65 -4.92 120.40 120.26 1vj6 s VAL 92 Ca 0.54 -1.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1vj6 s VAL 92 Cb -0.29 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1vj6 s VAL 92 CO 0.32 0.02 1.20 -1.00 0.00 0.00 0.00 175.10 175.64 1vj6 s HIS 93 N 1.34 2.49 -0.50 5.22 3.76 -1.26 -0.30 115.29 126.04 1vj6 s HIS 93 Ca -0.05 0.18 -0.27 0.00 -0.15 0.00 0.00 55.06 54.78 1vj6 s HIS 93 Cb -0.18 -4.53 0.03 0.00 1.11 0.00 0.00 32.58 29.01 1vj6 s HIS 93 CO -0.07 -1.77 1.02 -0.51 -0.85 0.00 0.00 174.74 172.57 1vj6 s LEU 94 N 5.17 3.85 -0.65 0.89 1.43 0.19 -1.11 118.68 128.44 1vj6 s LEU 94 Ca 0.38 0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.35 1vj6 s LEU 94 Cb -0.08 -3.22 0.04 0.00 0.03 0.00 0.00 46.19 42.96 1vj6 s LEU 94 CO 0.21 -1.20 1.14 -0.22 0.23 0.00 0.00 176.35 176.51 1vj6 s LEU 95 N 4.14 3.64 0.06 1.79 0.20 -0.11 -1.00 118.68 127.40 1vj6 s LEU 95 Ca 0.40 -0.40 0.04 0.00 0.69 0.00 0.00 54.13 54.86 1vj6 s LEU 95 Cb -0.09 -2.73 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 1vj6 s LEU 95 CO 0.27 -1.56 -0.03 -0.76 -0.29 0.00 0.00 176.35 173.97 1vj6 s LEU 96 N 4.90 3.36 0.10 -0.68 1.43 -0.30 -1.59 118.68 125.91 1vj6 s LEU 96 Ca 0.34 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1vj6 s LEU 96 Cb -0.10 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1vj6 s LEU 96 CO 0.17 0.21 -0.15 -0.70 0.23 0.00 0.00 176.35 176.11 1vj6 s GLU 97 N -2.00 0.98 0.32 1.70 2.56 0.11 -0.59 118.70 121.79 1vj6 s GLU 97 Ca 0.22 -1.13 -0.28 0.00 0.00 0.00 0.00 54.97 53.78 1vj6 s GLU 97 Cb -0.11 -0.98 -0.09 0.00 2.00 0.00 0.00 34.13 34.94 1vj6 s GLU 97 CO 0.14 0.21 1.11 0.15 -0.56 0.00 0.00 175.26 176.31 1vj6 s LYS 98 N -2.21 4.47 0.00 4.30 -0.14 -1.24 -0.62 119.74 124.30 1vj6 s LYS 98 Ca 0.05 1.78 0.28 0.00 -1.36 0.00 0.00 55.97 56.72 1vj6 s LYS 98 Cb -0.08 -3.01 1.10 0.00 -1.68 0.00 0.00 37.83 34.17 1vj6 s LYS 98 CO 0.03 0.07 1.79 0.41 -0.76 0.00 0.00 175.35 176.89 1vj6 n GLY 99 N 0.95 -1.06 2.54 -3.33 0.00 -1.26 -4.30 105.19 98.74 1vj6 n GLY 99 Ca 0.01 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1vj6 n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vj6 n GLN 100 N -1.11 3.25 -1.16 1.61 6.02 -1.26 -4.89 117.38 119.83 1vj6 n GLN 100 Ca 0.12 -2.44 -0.30 0.00 -0.01 0.00 0.00 57.00 54.37 1vj6 n GLN 100 Cb 0.30 -3.07 0.14 0.00 1.02 0.00 0.00 30.24 28.63 1vj6 n GLN 100 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1vj6 s VAL 101 N 2.69 2.71 -2.00 5.09 -7.23 -1.26 -4.06 120.40 116.34 1vj6 s VAL 101 Ca 0.57 0.23 0.04 0.00 -1.81 0.00 0.00 61.98 61.01 1vj6 s VAL 101 Cb 0.16 -2.67 0.11 0.00 0.56 0.00 0.00 36.38 34.53 1vj6 s VAL 101 CO -0.08 -0.30 0.70 -2.65 -0.31 0.00 0.00 175.10 172.46