#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 2.19 0.48 2.12 -0.14 -1.26 -5.12 119.74 118.01 1vj6 s LYS 9 Ca 0.00 -0.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.45 1vj6 s LYS 9 Cb 0.00 -2.31 -0.09 0.00 -1.68 0.00 0.00 37.83 33.76 1vj6 s LYS 9 CO 0.00 0.54 1.04 -1.25 -0.76 0.00 0.00 175.35 174.92 1vj6 s PRO 10 N -1.82 3.82 -1.58 -1.68 0.04 -1.26 -4.16 135.00 128.36 1vj6 s PRO 10 Ca 0.18 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 1vj6 s PRO 10 Cb -0.11 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1vj6 s PRO 10 CO 0.10 -0.42 0.21 0.41 0.04 0.00 0.00 177.00 177.34 1vj6 n GLY 11 N -0.21 -0.51 3.60 0.56 0.00 -1.20 -4.94 105.19 102.49 1vj6 n GLY 11 Ca 0.09 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.28 6.14 0.11 1.61 2.15 -1.26 -4.77 116.67 118.37 1vj6 s ASP 12 Ca 0.11 0.14 -0.30 0.00 0.43 0.00 0.00 52.55 52.93 1vj6 s ASP 12 Cb -0.05 -2.16 -0.06 0.00 -0.30 0.00 0.00 42.92 40.35 1vj6 s ASP 12 CO 0.14 -0.10 0.97 0.42 -0.17 0.00 0.00 175.17 176.43 1vj6 s THR 13 N 1.83 4.49 -0.08 1.71 -4.23 -1.26 -0.35 115.64 117.76 1vj6 s THR 13 Ca 0.11 2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 62.67 1vj6 s THR 13 Cb -0.16 -4.31 0.02 0.00 1.34 0.00 0.00 72.50 69.39 1vj6 s THR 13 CO 0.10 0.31 -0.04 0.72 -0.54 0.00 0.00 174.62 175.16 1vj6 s PHE 14 N 0.04 1.04 -1.04 3.99 -0.71 -0.05 -4.99 117.98 116.25 1vj6 s PHE 14 Ca 0.47 -0.41 -0.17 0.00 -1.04 0.00 0.00 56.93 55.78 1vj6 s PHE 14 Cb -0.23 -0.95 0.13 0.00 -1.21 0.00 0.00 43.02 40.76 1vj6 s PHE 14 CO 0.30 -0.37 1.28 -2.00 -1.34 0.00 0.00 175.22 173.09 1vj6 s GLU 15 N 1.59 3.77 0.28 1.99 2.12 -1.26 -1.69 118.70 125.50 1vj6 s GLU 15 Ca 0.01 -1.98 -0.26 0.00 0.36 0.00 0.00 54.97 53.10 1vj6 s GLU 15 Cb -0.13 -5.03 -0.09 0.00 0.26 0.00 0.00 34.13 29.14 1vj6 s GLU 15 CO -0.05 -1.83 0.90 0.08 -0.54 0.00 0.00 175.26 173.82 1vj6 s VAL 16 N 2.59 4.25 -0.17 3.70 1.01 -0.58 -4.91 120.40 126.29 1vj6 s VAL 16 Ca 0.38 1.78 0.01 0.00 0.00 0.00 0.00 61.98 64.15 1vj6 s VAL 16 Cb -0.03 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1vj6 s VAL 16 CO -0.06 0.24 -0.13 -0.70 0.00 0.00 0.00 175.10 174.45 1vj6 s GLU 17 N -1.82 2.25 0.29 2.72 -6.30 -1.26 0.11 118.70 114.68 1vj6 s GLU 17 Ca 0.46 -0.69 0.11 0.00 -2.50 0.00 0.00 54.97 52.35 1vj6 s GLU 17 Cb -0.20 -2.26 -0.05 0.00 0.00 0.00 0.00 34.13 31.62 1vj6 s GLU 17 CO 0.25 -0.31 -0.17 -0.51 0.02 0.00 0.00 175.26 174.54 1vj6 s LEU 18 N 1.43 2.61 -0.19 2.70 1.43 0.04 -4.97 118.68 121.74 1vj6 s LEU 18 Ca 0.03 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 1vj6 s LEU 18 Cb -0.14 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.09 1vj6 s LEU 18 CO -0.10 -0.05 -0.15 0.00 0.23 0.00 0.00 176.35 176.28 1vj6 s ALA 19 N -2.59 2.17 0.49 4.21 0.00 -1.26 -0.83 121.76 123.94 1vj6 s ALA 19 Ca 0.30 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 1vj6 s ALA 19 Cb -0.03 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.80 1vj6 s ALA 19 CO 0.14 -0.58 1.31 0.15 0.00 0.00 0.00 175.76 176.78 1vj6 s LYS 20 N 1.34 3.51 -0.50 0.00 3.01 -1.22 -4.78 119.74 121.08 1vj6 s LYS 20 Ca 0.02 2.12 -0.17 0.00 -1.01 0.00 0.00 55.97 56.93 1vj6 s LYS 20 Cb -0.15 -2.43 0.08 0.00 -1.01 0.00 0.00 37.83 34.32 1vj6 s LYS 20 CO -0.10 -0.86 0.51 -0.08 0.51 0.00 0.00 175.35 175.33 1vj6 s THR 21 N -1.35 5.07 -1.62 2.17 -1.32 0.52 -4.40 115.64 114.72 1vj6 s THR 21 Ca 0.66 -0.93 -0.16 0.00 -1.21 0.00 0.00 61.69 60.04 1vj6 s THR 21 Cb -0.37 -4.25 0.12 0.00 -1.51 0.00 0.00 72.50 66.50 1vj6 s THR 21 CO 0.45 -0.75 0.87 0.47 -2.21 0.00 0.00 174.62 173.46 1vj6 n ASP 22 N 5.64 -4.07 -1.79 8.08 8.00 -1.26 -3.14 116.55 128.00 1vj6 n ASP 22 Ca -0.10 -0.88 -0.01 0.00 0.71 0.00 0.00 54.79 54.50 1vj6 n ASP 22 Cb 0.44 -3.28 0.01 0.00 -0.02 0.00 0.00 41.12 38.26 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 -1.52 -0.01 0.00 0.44 0.00 -1.26 -5.09 105.19 97.75 1vj6 n GLY 23 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.43 0.00 0.06 1.61 2.88 -1.19 -5.01 113.62 110.54 1vj6 n SER 24 Ca -0.01 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.35 1vj6 n SER 24 Cb 0.51 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.75 0.00 2.46 3.38 -1.93 0.15 115.31 120.12 1vj6 h LEU 25 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 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 1.44 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1vj6 n GLY 26 N 1.12 1.98 3.10 0.83 0.00 -1.26 -0.24 105.19 110.72 1vj6 n GLY 26 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1vj6 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vj6 s ILE 27 N -2.00 1.59 -0.45 -0.61 -4.36 -1.26 -2.82 121.20 111.29 1vj6 s ILE 27 Ca 0.00 -0.72 -0.29 0.00 -0.26 0.00 0.00 60.65 59.38 1vj6 s ILE 27 Cb 0.00 -1.43 0.03 0.00 1.25 0.00 0.00 42.46 42.31 1vj6 s ILE 27 CO 0.00 0.46 1.18 -0.44 0.24 0.00 0.00 174.94 176.38 1vj6 s SER 28 N 0.76 6.61 0.01 4.36 0.01 -0.94 -5.00 113.70 119.51 1vj6 s SER 28 Ca -0.11 0.59 -0.30 0.00 1.31 0.00 0.00 55.95 57.43 1vj6 s SER 28 Cb -0.16 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1vj6 s SER 28 CO 0.02 -1.25 1.08 0.68 0.41 0.00 0.00 173.24 174.18 1vj6 s VAL 29 N 4.55 4.50 0.34 3.43 -7.23 -1.26 -0.51 120.40 124.22 1vj6 s VAL 29 Ca 0.50 1.80 0.06 0.00 -1.81 0.00 0.00 61.98 62.53 1vj6 s VAL 29 Cb -0.09 -4.15 -0.07 0.00 0.56 0.00 0.00 36.38 32.63 1vj6 s VAL 29 CO 0.30 0.12 -0.01 0.28 -0.31 0.00 0.00 175.10 175.49 1vj6 s THR 30 N 1.17 1.66 0.00 5.32 -1.32 0.58 -4.85 115.64 118.21 1vj6 s THR 30 Ca 0.55 -2.06 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 1vj6 s THR 30 Cb -0.24 -2.73 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 1vj6 s THR 30 CO 0.27 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 1vj6 n GLY 31 N -0.74 -0.28 0.00 6.08 0.00 -1.26 -1.21 105.19 107.77 1vj6 n GLY 31 Ca -0.04 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 2.29 0.26 -0.02 0.00 -1.26 -4.21 105.19 102.25 1vj6 n GLY 32 Ca 0.00 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 44.11 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 0.81 0.00 1.61 3.04 -1.17 -0.87 116.25 119.67 1vj6 h VAL 33 Ca 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1vj6 h VAL 33 Cb 0.00 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1vj6 h VAL 33 CO 0.00 0.08 -0.04 0.59 -1.01 0.00 0.00 177.57 177.19 1vj6 n ASN 34 N -4.09 0.31 0.09 3.17 3.02 -1.26 -2.50 115.26 114.00 1vj6 n ASN 34 Ca -0.03 0.48 0.07 0.00 -0.03 0.00 0.00 54.58 55.07 1vj6 n ASN 34 Cb 0.16 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.78 1vj6 n ASN 34 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1vj6 h THR 35 N 0.00 0.24 -3.25 3.41 2.02 -1.43 -3.50 112.91 110.41 1vj6 h THR 35 Ca 0.00 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1vj6 h THR 35 Cb 0.58 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1vj6 h THR 35 CO 0.00 0.14 -0.10 -1.20 0.37 0.00 0.00 175.52 174.72 1vj6 n SER 36 N -2.83 -2.68 0.00 4.18 7.64 -1.04 -5.00 113.62 113.89 1vj6 n SER 36 Ca -0.03 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1vj6 n SER 36 Cb 0.66 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1vj6 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1vj6 n VAL 37 N -0.04 0.00 0.00 0.44 0.24 -1.26 -5.01 118.33 112.71 1vj6 n VAL 37 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vj6 n VAL 37 Cb 0.01 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 0.00 0.00 -0.08 7.34 5.12 -1.26 -4.95 116.66 122.82 1vj6 n ARG 38 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1vj6 n ARG 38 Cb 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.20 1vj6 n ARG 38 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1vj6 n HIS 39 N 0.00 0.00 0.00 -1.55 1.44 -1.26 -5.07 115.22 108.78 1vj6 n HIS 39 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1vj6 n HIS 39 Cb 0.00 -0.71 0.00 0.00 0.12 0.00 0.00 29.99 29.40 1vj6 n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1vj6 n GLY 40 N 2.37 0.25 3.52 -1.39 0.00 -1.26 -4.37 105.19 104.30 1vj6 n GLY 40 Ca -0.28 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.06 3.14 -0.02 0.00 -0.34 -4.69 105.19 101.23 1vj6 n GLY 41 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1vj6 n GLY 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vj6 s ILE 42 N -0.62 0.15 0.07 -0.61 1.10 -0.92 -4.01 121.20 116.36 1vj6 s ILE 42 Ca 0.00 -1.79 0.02 0.00 -0.51 0.00 0.00 60.65 58.37 1vj6 s ILE 42 Cb 0.00 -1.79 -0.03 0.00 0.15 0.00 0.00 42.46 40.79 1vj6 s ILE 42 CO 0.00 -0.67 -0.07 -0.31 -2.11 0.00 0.00 174.94 171.78 1vj6 s TYR 43 N -3.98 0.81 -0.26 3.50 1.51 -0.35 0.09 117.35 118.66 1vj6 s TYR 43 Ca 0.16 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.37 1vj6 s TYR 43 Cb 0.07 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 1vj6 s TYR 43 CO -0.04 -0.11 0.31 0.08 -1.11 0.00 0.00 175.55 174.68 1vj6 s VAL 44 N -2.57 5.23 -0.03 0.71 1.01 -0.54 -0.31 120.40 123.90 1vj6 s VAL 44 Ca 0.02 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1vj6 s VAL 44 Cb -0.02 -3.64 -0.25 0.00 0.00 0.00 0.00 36.38 32.47 1vj6 s VAL 44 CO -0.02 0.21 0.71 0.50 0.00 0.00 0.00 175.10 176.50 1vj6 h LYS 45 N 8.02 0.16 -3.01 2.72 1.63 -1.13 -0.22 116.57 124.74 1vj6 h LYS 45 Ca -0.34 -0.27 -0.18 0.00 -0.85 0.00 0.00 60.65 59.02 1vj6 h LYS 45 Cb 1.17 0.10 -0.28 0.00 -0.60 0.00 0.00 32.23 32.62 1vj6 h LYS 45 CO 0.64 0.93 -0.45 0.00 -3.45 0.00 0.00 179.45 177.11 1vj6 s ALA 46 N -2.60 -0.63 -0.18 5.00 0.00 -1.24 -4.66 121.76 117.44 1vj6 s ALA 46 Ca -0.10 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 1vj6 s ALA 46 Cb 0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1vj6 s ALA 46 CO 0.82 -0.18 0.43 0.42 0.00 0.00 0.00 175.76 177.25 1vj6 s ILE 47 N 0.98 5.19 0.64 0.00 -1.09 -1.26 -2.22 121.20 123.43 1vj6 s ILE 47 Ca -0.07 0.79 -0.11 0.00 -2.23 0.00 0.00 60.65 59.03 1vj6 s ILE 47 Cb -0.08 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1vj6 s ILE 47 CO -0.07 0.26 1.04 0.27 -1.23 0.00 0.00 174.94 175.22 1vj6 s ILE 48 N 1.19 4.46 -0.51 2.92 -4.36 -1.13 -4.99 121.20 118.78 1vj6 s ILE 48 Ca 0.21 0.80 -0.28 0.00 -0.26 0.00 0.00 60.65 61.12 1vj6 s ILE 48 Cb -0.15 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 39.79 1vj6 s ILE 48 CO 0.08 -1.04 1.53 -2.16 0.24 0.00 0.00 174.94 173.59 1vj6 s PRO 49 N -5.20 3.27 -0.19 0.37 0.04 -1.26 -4.54 135.00 127.49 1vj6 s PRO 49 Ca 0.56 0.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 1vj6 s PRO 49 Cb -0.11 -4.15 0.04 0.00 0.04 0.00 0.00 34.50 30.32 1vj6 s PRO 49 CO 0.54 -1.96 0.20 0.36 0.04 0.00 0.00 177.00 176.17 1vj6 n LYS 50 N 8.58 -4.16 0.00 4.56 2.85 -1.26 -5.10 118.16 123.63 1vj6 n LYS 50 Ca 0.16 3.18 0.00 0.00 -1.05 0.00 0.00 58.31 60.60 1vj6 n LYS 50 Cb 0.49 -4.74 0.00 0.00 -0.65 0.00 0.00 35.03 30.13 1vj6 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vj6 n GLY 51 N 1.64 1.79 0.20 2.58 0.00 -1.26 -5.07 105.19 105.07 1vj6 n GLY 51 Ca -0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 1vj6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vj6 n ALA 52 N -3.00 2.11 -0.13 4.61 0.00 0.66 -4.86 120.51 119.89 1vj6 n ALA 52 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1vj6 n ALA 52 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1vj6 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vj6 h ALA 53 N -0.03 0.57 -0.55 0.00 0.00 -1.11 -2.78 119.26 115.37 1vj6 h ALA 53 Ca -0.07 -0.40 0.15 0.00 0.00 0.00 0.00 54.91 54.59 1vj6 h ALA 53 Cb 1.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1vj6 h ALA 53 CO -0.02 0.57 0.39 1.49 0.00 0.00 0.00 179.25 181.68 1vj6 h GLU 54 N 0.69 0.05 0.00 0.00 4.81 -1.87 -0.86 114.58 117.40 1vj6 h GLU 54 Ca 0.08 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1vj6 h GLU 54 Cb 0.82 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1vj6 h GLU 54 CO 0.07 0.03 0.00 0.45 -0.73 0.00 0.00 179.01 178.83 1vj6 n SER 55 N -4.39 0.00 0.00 1.04 2.88 -1.05 -4.04 113.62 108.07 1vj6 n SER 55 Ca 0.10 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1vj6 n SER 55 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.89 0.00 0.00 -3.46 2.03 -0.33 -5.07 116.55 108.83 1vj6 n ASP 56 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1vj6 n ASP 56 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 2.42 0.11 0.21 0.27 0.00 -1.26 -4.98 105.19 101.96 1vj6 n GLY 57 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.37 -6.38 1.61 3.08 -1.94 -3.46 114.38 107.66 1vj6 h ARG 58 Ca 0.00 -0.18 -0.63 0.00 0.07 0.00 0.00 59.98 59.24 1vj6 h ARG 58 Cb 0.00 -0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.10 1vj6 h ARG 58 CO 0.00 0.72 0.68 -0.89 -1.07 0.00 0.00 179.97 179.41 1vj6 n ILE 59 N -4.02 0.04 -4.16 2.04 5.41 -1.26 -5.00 119.36 112.41 1vj6 n ILE 59 Ca -0.02 -0.01 -0.16 0.00 1.00 0.00 0.00 62.75 63.57 1vj6 n ILE 59 Cb 0.49 -1.25 -0.06 0.00 -0.71 0.00 0.00 39.64 38.12 1vj6 n ILE 59 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 1vj6 s HIS 60 N 1.01 1.28 -0.10 1.39 -3.43 -1.26 -4.98 115.29 109.20 1vj6 s HIS 60 Ca 0.83 -1.41 -0.30 0.00 -0.80 0.00 0.00 55.06 53.38 1vj6 s HIS 60 Cb -0.81 -0.32 -0.03 0.00 -1.43 0.00 0.00 32.58 29.99 1vj6 s HIS 60 CO 0.43 -1.01 1.39 -1.59 -2.00 0.00 0.00 174.74 171.97 1vj6 s LYS 61 N -3.30 4.23 0.00 -0.38 -2.85 -1.26 -3.37 119.74 112.82 1vj6 s LYS 61 Ca 0.34 1.86 0.00 0.00 -1.00 0.00 0.00 55.97 57.18 1vj6 s LYS 61 Cb 0.01 -3.78 0.00 0.00 -2.06 0.00 0.00 37.83 32.00 1vj6 s LYS 61 CO 0.22 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.37 1vj6 n GLY 62 N 3.75 0.94 3.84 0.59 0.00 -0.09 -5.01 105.19 109.21 1vj6 n GLY 62 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.18 5.99 -0.20 1.61 1.01 -1.22 -4.24 116.67 119.45 1vj6 s ASP 63 Ca 0.00 1.54 -0.10 0.00 0.71 0.00 0.00 52.55 54.70 1vj6 s ASP 63 Cb 0.00 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 1vj6 s ASP 63 CO 0.00 -1.03 0.12 -0.60 0.21 0.00 0.00 175.17 173.87 1vj6 s ARG 64 N -4.87 4.15 -0.31 8.23 3.52 -0.58 -1.47 118.95 127.62 1vj6 s ARG 64 Ca 0.57 -0.24 -0.15 0.00 -0.13 0.00 0.00 55.73 55.78 1vj6 s ARG 64 Cb -0.12 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1vj6 s ARG 64 CO 0.49 0.29 0.36 0.08 -0.81 0.00 0.00 175.30 175.72 1vj6 s VAL 65 N 0.37 5.17 -0.24 7.11 1.01 0.11 -0.13 120.40 133.80 1vj6 s VAL 65 Ca 0.07 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1vj6 s VAL 65 Cb -0.11 -3.76 -0.19 0.00 0.00 0.00 0.00 36.38 32.33 1vj6 s VAL 65 CO -0.02 0.03 -0.14 0.00 0.00 0.00 0.00 175.10 174.97 1vj6 n LEU 66 N 5.36 2.70 -3.80 3.92 -0.00 0.29 -2.18 117.00 123.29 1vj6 n LEU 66 Ca -0.09 -0.09 -0.09 0.00 -0.00 0.00 0.00 56.01 55.73 1vj6 n LEU 66 Cb 0.50 -0.81 -0.07 0.00 -0.00 0.00 0.00 43.42 43.04 1vj6 n LEU 66 CO 0.39 0.89 -0.03 0.00 -0.00 0.00 0.00 177.39 178.64 1vj6 s ALA 67 N -2.52 -0.42 -0.13 1.47 0.00 -1.03 -1.07 121.76 118.06 1vj6 s ALA 67 Ca -0.32 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1vj6 s ALA 67 Cb 0.09 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.74 1vj6 s ALA 67 CO 0.64 -0.52 -0.01 0.08 0.00 0.00 0.00 175.76 175.95 1vj6 s VAL 68 N -3.64 0.64 -1.20 0.00 1.01 -0.25 -0.43 120.40 116.53 1vj6 s VAL 68 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1vj6 s VAL 68 Cb 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1vj6 s VAL 68 CO -0.10 0.09 0.00 0.59 0.00 0.00 0.00 175.10 175.68 1vj6 n ASN 69 N 5.04 -3.91 0.00 3.32 3.02 -0.49 -0.37 115.26 121.86 1vj6 n ASN 69 Ca -0.09 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1vj6 n ASN 69 Cb 0.49 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 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 -0.66 0.75 3.39 7.41 0.00 -1.26 -5.02 105.19 109.80 1vj6 n GLY 70 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.57 5.02 0.20 1.61 1.01 0.50 -5.02 120.40 121.15 1vj6 s VAL 71 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 1vj6 s VAL 71 Cb 0.00 -4.59 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 1vj6 s VAL 71 CO 0.00 -1.24 1.24 -0.94 0.00 0.00 0.00 175.10 174.16 1vj6 s SER 72 N 3.19 7.01 -1.09 3.32 1.04 -1.26 -1.09 113.70 124.82 1vj6 s SER 72 Ca 0.21 2.31 -0.09 0.00 0.48 0.00 0.00 55.95 58.86 1vj6 s SER 72 Cb -0.13 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.23 1vj6 s SER 72 CO -0.04 -0.43 3.18 0.18 0.98 0.00 0.00 173.24 177.11 1vj6 n LEU 73 N 2.46 7.61 -4.58 2.42 4.77 -0.23 -4.88 117.00 124.57 1vj6 n LEU 73 Ca 0.05 -3.98 -0.33 0.00 -0.03 0.00 0.00 56.01 51.72 1vj6 n LEU 73 Cb 0.44 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 1vj6 n LEU 73 CO 0.57 1.95 1.62 -1.61 -1.33 0.00 0.00 177.39 178.59 1vj6 s GLU 74 N 1.74 3.00 0.00 3.23 0.41 -1.26 -1.20 118.70 124.62 1vj6 s GLU 74 Ca 0.69 -1.29 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 1vj6 s GLU 74 Cb 0.23 -5.31 0.00 0.00 -1.78 0.00 0.00 34.13 27.26 1vj6 s GLU 74 CO -0.04 -3.31 0.00 0.41 -0.49 0.00 0.00 175.26 171.83 1vj6 n GLY 75 N 5.89 1.02 3.81 -1.39 0.00 -1.26 -5.00 105.19 108.26 1vj6 n GLY 75 Ca 0.45 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 2.96 0.00 4.61 0.00 -1.17 -4.73 121.76 121.43 1vj6 s ALA 76 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1vj6 s ALA 76 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1vj6 s ALA 76 CO 0.00 -0.10 0.00 0.25 0.00 0.00 0.00 175.76 175.91 1vj6 n THR 77 N -0.78 0.00 0.14 0.00 -2.24 -1.26 -0.73 114.28 109.41 1vj6 n THR 77 Ca 0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1vj6 n THR 77 Cb 0.53 -0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.08 -0.35 -0.25 4.78 2.76 -1.92 -1.38 115.15 118.86 1vj6 h HIS 78 Ca 0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1vj6 h HIS 78 Cb 0.00 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1vj6 h HIS 78 CO 0.00 -0.02 0.07 -0.22 -1.30 0.00 0.00 177.93 176.46 1vj6 h LYS 79 N -0.71 0.40 -0.66 5.26 3.64 -1.96 -1.55 116.57 120.99 1vj6 h LYS 79 Ca -0.04 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1vj6 h LYS 79 Cb 0.48 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1vj6 h LYS 79 CO 0.06 0.49 0.25 0.37 -2.27 0.00 0.00 179.45 178.35 1vj6 h GLN 80 N 0.24 0.99 -0.52 1.90 4.15 -1.94 -1.00 115.11 118.93 1vj6 h GLN 80 Ca 0.08 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 1vj6 h GLN 80 Cb 0.26 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1vj6 h GLN 80 CO -0.00 0.83 -0.05 0.00 -1.93 0.00 0.00 178.83 177.68 1vj6 h ALA 81 N 1.11 0.94 0.14 3.38 0.00 -1.22 -0.23 119.26 123.37 1vj6 h ALA 81 Ca 0.22 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1vj6 h ALA 81 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1vj6 h ALA 81 CO -0.02 0.63 -0.36 0.28 0.00 0.00 0.00 179.25 179.79 1vj6 h VAL 82 N 0.83 0.25 0.00 0.00 2.07 -1.01 -2.28 116.25 116.11 1vj6 h VAL 82 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1vj6 h VAL 82 Cb 0.56 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1vj6 h VAL 82 CO 0.03 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 177.18 1vj6 h GLU 83 N -0.60 0.00 -0.35 1.57 5.08 -1.02 0.43 114.58 119.70 1vj6 h GLU 83 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1vj6 h GLU 83 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1vj6 h GLU 83 CO -0.20 0.11 -0.07 1.15 -1.00 0.00 0.00 179.01 179.00 1vj6 h THR 84 N 0.00 1.23 0.14 1.13 2.02 -0.66 -0.91 112.91 115.86 1vj6 h THR 84 Ca -0.00 -0.96 -0.35 0.00 0.77 0.00 0.00 66.41 65.87 1vj6 h THR 84 Cb 0.30 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1vj6 h THR 84 CO 0.01 0.32 -1.81 -0.07 0.37 0.00 0.00 175.52 174.35 1vj6 h LEU 85 N 0.53 0.47 0.13 2.58 3.38 -0.72 -3.42 115.31 118.26 1vj6 h LEU 85 Ca 0.10 -0.92 -0.29 0.00 0.09 0.00 0.00 57.88 56.86 1vj6 h LEU 85 Cb 0.45 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1vj6 h LEU 85 CO 0.02 1.79 -1.41 0.08 0.09 0.00 0.00 178.44 179.02 1vj6 h ARG 86 N -0.00 0.27 -1.94 1.13 -0.00 -0.18 -3.34 114.38 110.31 1vj6 h ARG 86 Ca -0.38 -0.46 -0.07 0.00 -0.00 0.00 0.00 59.98 59.06 1vj6 h ARG 86 Cb 2.00 0.17 -0.03 0.00 -0.00 0.00 0.00 29.97 32.11 1vj6 h ARG 86 CO 0.11 1.17 0.00 0.09 -0.00 0.00 0.00 179.97 181.34 1vj6 n ASN 87 N -3.50 5.49 -1.80 0.08 3.02 -0.35 -4.81 115.26 113.39 1vj6 n ASN 87 Ca -0.13 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 1vj6 n ASN 87 Cb 1.04 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1vj6 n ASN 87 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1vj6 n THR 88 N 1.49 0.00 0.00 3.41 -2.24 -1.26 -5.00 114.28 110.68 1vj6 n THR 88 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1vj6 n THR 88 Cb 0.57 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.93 0.03 3.38 0.00 -1.26 -5.08 105.19 108.19 1vj6 n GLY 89 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.17 -2.63 1.61 -0.06 -1.26 -4.88 117.38 110.33 1vj6 n GLN 90 Ca 0.00 0.30 -0.42 0.00 -2.00 0.00 0.00 57.00 54.88 1vj6 n GLN 90 Cb 0.00 -1.04 -0.03 0.00 -4.06 0.00 0.00 30.24 25.11 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 -1.50 4.64 -0.29 1.69 1.01 -1.26 -3.46 120.40 121.23 1vj6 s VAL 91 Ca -0.06 1.90 0.03 0.00 0.00 0.00 0.00 61.98 63.84 1vj6 s VAL 91 Cb 0.01 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.25 1vj6 s VAL 91 CO 0.09 0.13 -0.04 -0.69 0.00 0.00 0.00 175.10 174.60 1vj6 s VAL 92 N 1.13 2.07 -0.70 2.92 1.01 -0.01 -4.94 120.40 121.88 1vj6 s VAL 92 Ca 0.53 -1.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 1vj6 s VAL 92 Cb -0.23 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1vj6 s VAL 92 CO 0.27 -0.27 1.42 -1.00 0.00 0.00 0.00 175.10 175.52 1vj6 s HIS 93 N 1.09 2.14 -0.42 5.22 3.76 -1.26 -0.78 115.29 125.04 1vj6 s HIS 93 Ca -0.01 0.18 -0.26 0.00 -0.15 0.00 0.00 55.06 54.83 1vj6 s HIS 93 Cb -0.19 -4.49 0.02 0.00 1.11 0.00 0.00 32.58 29.03 1vj6 s HIS 93 CO -0.07 -2.12 0.93 -0.51 -0.85 0.00 0.00 174.74 172.12 1vj6 s LEU 94 N 6.51 3.99 -0.66 0.89 1.43 0.12 -1.40 118.68 129.56 1vj6 s LEU 94 Ca 0.44 0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1vj6 s LEU 94 Cb -0.09 -3.23 0.08 0.00 0.03 0.00 0.00 46.19 42.98 1vj6 s LEU 94 CO 0.17 -0.97 0.93 -0.22 0.23 0.00 0.00 176.35 176.49 1vj6 s LEU 95 N 3.65 4.56 -0.03 1.79 0.20 0.43 -1.53 118.68 127.75 1vj6 s LEU 95 Ca 0.38 -1.10 -0.01 0.00 0.69 0.00 0.00 54.13 54.09 1vj6 s LEU 95 Cb -0.11 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1vj6 s LEU 95 CO 0.23 -1.38 0.07 -0.76 -0.29 0.00 0.00 176.35 174.22 1vj6 s LEU 96 N 3.81 3.88 -0.18 -0.68 1.43 -0.68 -0.54 118.68 125.71 1vj6 s LEU 96 Ca 0.21 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1vj6 s LEU 96 Cb -0.17 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1vj6 s LEU 96 CO 0.09 0.30 -0.06 -0.70 0.23 0.00 0.00 176.35 176.21 1vj6 s GLU 97 N -1.54 3.46 0.01 1.70 2.12 0.81 -0.87 118.70 124.39 1vj6 s GLU 97 Ca 0.21 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1vj6 s GLU 97 Cb -0.12 -2.89 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 1vj6 s GLU 97 CO 0.11 0.03 1.68 0.21 -0.54 0.00 0.00 175.26 176.75 1vj6 s LYS 98 N 0.89 4.19 -1.26 4.30 2.47 0.53 -1.52 119.74 129.32 1vj6 s LYS 98 Ca -0.01 2.29 -0.10 0.00 -1.56 0.00 0.00 55.97 56.59 1vj6 s LYS 98 Cb -0.15 -3.85 0.17 0.00 -1.46 0.00 0.00 37.83 32.55 1vj6 s LYS 98 CO 0.01 -0.81 1.80 0.41 0.16 0.00 0.00 175.35 176.92 1vj6 n GLY 99 N 4.11 4.58 2.99 5.54 0.00 -1.26 -3.22 105.19 117.94 1vj6 n GLY 99 Ca 0.17 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 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 0.43 0.34 0.22 1.61 2.00 -1.26 -4.65 119.66 118.35 1vj6 s GLN 100 Ca 0.40 -0.52 -0.17 0.00 -2.00 0.00 0.00 55.36 53.07 1vj6 s GLN 100 Cb 0.08 -0.09 -0.08 0.00 0.80 0.00 0.00 33.01 33.72 1vj6 s GLN 100 CO 0.01 0.01 0.68 0.08 -0.50 0.00 0.00 175.29 175.56 1vj6 s VAL 101 N -1.07 4.67 -2.00 1.34 1.01 -1.26 -3.94 120.40 119.14 1vj6 s VAL 101 Ca -0.10 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.05 1vj6 s VAL 101 Cb -0.08 -3.79 0.22 0.00 0.00 0.00 0.00 36.38 32.73 1vj6 s VAL 101 CO -0.00 0.16 0.91 -2.65 0.00 0.00 0.00 175.10 173.51