#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v48 s ILE 4 N 0.00 5.02 -0.14 -0.18 1.09 -1.24 -0.48 121.20 125.27 2v48 s ILE 4 Ca 0.00 0.55 -0.02 0.00 -1.10 0.00 0.00 60.65 60.08 2v48 s ILE 4 Cb 0.00 -3.67 0.04 0.00 -1.06 0.00 0.00 42.46 37.77 2v48 s ILE 4 CO 0.00 0.25 0.02 -0.60 -0.10 0.00 0.00 174.94 174.51 2v48 s ARG 5 N -2.00 0.63 -0.21 2.79 3.52 -1.24 -1.88 118.95 120.55 2v48 s ARG 5 Ca 0.36 -0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 2v48 s ARG 5 Cb -0.14 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.68 2v48 s ARG 5 CO 0.19 -0.48 -0.09 0.96 -0.81 0.00 0.00 175.30 175.07 2v48 s ILE 6 N 1.92 2.96 -0.40 4.11 -5.25 -0.71 -2.09 121.20 121.74 2v48 s ILE 6 Ca 0.02 -0.67 -0.12 0.00 -0.99 0.00 0.00 60.65 58.90 2v48 s ILE 6 Cb -0.15 -2.34 0.05 0.00 2.95 0.00 0.00 42.46 42.97 2v48 s ILE 6 CO -0.07 0.43 0.26 -0.54 -1.79 0.00 0.00 174.94 173.23 2v48 s LYS 7 N 1.41 2.80 -0.47 0.37 1.02 -0.99 -2.51 119.74 121.38 2v48 s LYS 7 Ca 0.05 -1.21 -0.20 0.00 0.02 0.00 0.00 55.97 54.63 2v48 s LYS 7 Cb -0.14 -3.83 0.04 0.00 -0.52 0.00 0.00 37.83 33.38 2v48 s LYS 7 CO -0.06 -0.81 0.66 -0.51 -0.92 0.00 0.00 175.35 173.70 2v48 s LEU 8 N 1.55 4.64 0.00 3.17 1.02 0.38 -2.99 118.68 126.45 2v48 s LEU 8 Ca 0.03 -0.56 0.00 0.00 0.02 0.00 0.00 54.13 53.61 2v48 s LEU 8 Cb -0.21 -2.62 0.00 0.00 0.02 0.00 0.00 46.19 43.38 2v48 s LEU 8 CO 0.06 -0.86 0.00 0.54 0.02 0.00 0.00 176.35 176.11 2v48 n ARG 9 N 6.33 3.41 0.00 1.70 1.74 0.79 -1.79 116.66 128.83 2v48 n ARG 9 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2v48 n ARG 9 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 2v48 n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2v48 n GLY 10 N 5.00 0.53 1.53 -0.13 0.00 -1.20 -3.71 105.19 107.21 2v48 n GLY 10 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2v48 n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2v48 n PHE 11 N 2.87 -1.02 -2.86 1.61 0.99 -1.26 -3.62 117.46 114.17 2v48 n PHE 11 Ca 0.00 0.18 -0.42 0.00 -0.00 0.00 0.00 57.45 57.21 2v48 n PHE 11 Cb 0.00 0.29 -0.04 0.00 -1.00 0.00 0.00 39.48 38.74 2v48 n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2v48 s ASP 12 N -5.24 6.97 0.36 4.37 3.68 -1.26 -4.59 116.67 120.96 2v48 s ASP 12 Ca 0.00 1.19 0.14 0.00 2.13 0.00 0.00 52.55 56.01 2v48 s ASP 12 Cb 0.00 -2.47 0.68 0.00 -1.45 0.00 0.00 42.92 39.68 2v48 s ASP 12 CO 0.00 -0.44 1.78 1.12 0.13 0.00 0.00 175.17 177.76 2v48 h HIS 13 N 7.38 0.00 -0.52 -5.34 2.07 -1.97 -2.85 115.15 113.92 2v48 h HIS 13 Ca -0.28 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.22 2v48 h HIS 13 Cb 1.12 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.08 2v48 h HIS 13 CO 0.73 0.41 0.23 -0.22 -3.07 0.00 0.00 177.93 176.01 2v48 h LYS 14 N 0.00 0.76 0.00 5.12 3.64 -1.99 0.21 116.57 124.31 2v48 h LYS 14 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2v48 h LYS 14 Cb 0.77 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2v48 h LYS 14 CO 0.05 0.64 0.00 0.25 -2.27 0.00 0.00 179.45 178.13 2v48 n THR 15 N -4.57 0.77 0.33 1.00 -2.24 -1.11 -2.99 114.28 105.47 2v48 n THR 15 Ca 0.02 0.13 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 2v48 n THR 15 Cb 0.13 -0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 2v48 n THR 15 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2v48 n LEU 16 N -2.02 0.33 0.00 3.22 -0.00 -0.87 -3.71 117.00 113.94 2v48 n LEU 16 Ca 0.03 -0.27 0.13 0.00 -0.00 0.00 0.00 56.01 55.90 2v48 n LEU 16 Cb 0.26 0.00 0.67 0.00 -0.00 0.00 0.00 43.42 44.34 2v48 n LEU 16 CO 0.21 0.08 0.95 -0.67 -0.00 0.00 0.00 177.39 177.96 2v48 n ASP 17 N -1.60 0.00 -0.05 1.96 2.03 0.68 -3.05 116.55 116.51 2v48 n ASP 17 Ca 0.00 -0.04 -0.07 0.00 0.52 0.00 0.00 54.79 55.20 2v48 n ASP 17 Cb 0.27 -0.30 -0.04 0.00 -0.72 0.00 0.00 41.12 40.32 2v48 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2v48 n ALA 18 N -1.30 1.82 0.20 -1.67 0.00 -1.25 -3.99 120.51 114.31 2v48 n ALA 18 Ca 0.12 -0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.30 2v48 n ALA 18 Cb 0.22 0.28 0.75 0.00 0.00 0.00 0.00 19.45 20.71 2v48 n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2v48 h SER 19 N -0.02 0.00 0.03 0.00 4.64 -1.64 0.77 113.55 117.34 2v48 h SER 19 Ca -0.21 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.83 2v48 h SER 19 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 2v48 h SER 19 CO -0.04 0.00 -1.49 0.00 -0.87 0.00 0.00 176.83 174.43 2v48 n ALA 20 N -2.46 0.82 -0.30 5.18 0.00 -1.17 -3.09 120.51 119.48 2v48 n ALA 20 Ca 0.01 -0.53 0.10 0.00 0.00 0.00 0.00 53.44 53.03 2v48 n ALA 20 Cb 0.26 -0.58 0.33 0.00 0.00 0.00 0.00 19.45 19.46 2v48 n ALA 20 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2v48 h GLN 21 N -0.71 0.77 0.72 0.00 4.15 -1.55 -1.94 115.11 116.55 2v48 h GLN 21 Ca -0.38 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 58.96 2v48 h GLN 21 Cb 1.51 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 29.03 2v48 h GLN 21 CO -0.13 0.51 -0.34 -0.22 -1.93 0.00 0.00 178.83 176.71 2v48 h LYS 22 N 0.79 -0.93 -2.84 1.69 3.11 0.40 -3.12 116.57 115.67 2v48 h LYS 22 Ca 0.47 0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 58.29 2v48 h LYS 22 Cb 0.65 0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 2v48 h LYS 22 CO -0.23 -0.62 0.47 -0.89 -2.81 0.00 0.00 179.45 175.37 2v48 n ILE 23 N -5.10 0.96 0.09 2.00 5.41 -0.73 -2.41 119.36 119.58 2v48 n ILE 23 Ca -0.12 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.13 2v48 n ILE 23 Cb 0.38 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 2v48 n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2v48 n VAL 24 N 3.10 0.00 -0.07 1.39 0.31 -1.18 -4.73 118.33 117.16 2v48 n VAL 24 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 2v48 n VAL 24 Cb 0.25 -0.29 -0.06 0.00 -0.91 0.00 0.00 33.84 32.83 2v48 n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2v48 h GLU 25 N 0.00 0.52 -0.06 5.55 5.08 -1.47 1.63 114.58 125.84 2v48 h GLU 25 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2v48 h GLU 25 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2v48 h GLU 25 CO 0.00 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 178.89 2v48 n ALA 26 N -2.47 2.58 -0.05 3.43 0.00 -1.19 -2.53 120.51 120.28 2v48 n ALA 26 Ca -0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 2v48 n ALA 26 Cb 0.44 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 2v48 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v48 n ALA 27 N -0.34 0.93 0.33 0.00 0.00 -0.89 -4.49 120.51 116.05 2v48 n ALA 27 Ca 0.16 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 2v48 n ALA 27 Cb 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 2v48 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v48 h ARG 28 N -0.65 -0.84 -0.51 0.00 3.08 0.23 -3.11 114.38 112.56 2v48 h ARG 28 Ca 0.00 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.26 2v48 h ARG 28 Cb 0.65 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2v48 h ARG 28 CO 0.00 -0.56 0.79 -0.09 -1.07 0.00 0.00 179.97 179.04 2v48 h ARG 29 N -0.88 0.00 -0.86 0.04 2.43 -1.66 -0.93 114.38 112.53 2v48 h ARG 29 Ca -0.08 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.50 2v48 h ARG 29 Cb 0.69 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 29.91 2v48 h ARG 29 CO 0.11 0.00 0.20 -1.13 -1.51 0.00 0.00 179.97 177.64 2v48 n SER 30 N -3.23 6.07 0.00 -3.80 3.41 -1.18 -5.03 113.62 109.87 2v48 n SER 30 Ca 0.11 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 2v48 n SER 30 Cb 0.97 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2v48 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2v48 n GLY 31 N -0.88 0.35 3.62 5.00 0.00 -0.35 -3.73 105.19 109.20 2v48 n GLY 31 Ca 0.54 -1.53 -0.60 0.00 0.00 0.00 0.00 46.02 44.43 2v48 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2v48 n ALA 32 N -1.08 -2.01 -0.54 4.61 0.00 -1.26 -4.71 120.51 115.51 2v48 n ALA 32 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 53.44 53.77 2v48 n ALA 32 Cb 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 19.45 17.54 2v48 n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2v48 n GLN 33 N 2.94 0.00 -4.43 0.00 6.02 -1.26 -4.13 117.38 116.52 2v48 n GLN 33 Ca 0.24 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 57.02 2v48 n GLN 33 Cb 0.07 -0.54 -0.10 0.00 1.02 0.00 0.00 30.24 30.68 2v48 n GLN 33 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2v48 s VAL 34 N -1.08 1.00 -0.31 5.09 1.01 -1.26 -0.30 120.40 124.54 2v48 s VAL 34 Ca 0.21 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.08 2v48 s VAL 34 Cb -0.08 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2v48 s VAL 34 CO 0.44 0.00 0.19 -0.94 0.00 0.00 0.00 175.10 174.79 2v48 s SER 35 N -3.47 5.79 0.44 3.32 1.04 0.31 -4.90 113.70 116.24 2v48 s SER 35 Ca 0.35 -0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2v48 s SER 35 Cb 0.08 -2.07 0.03 0.00 0.10 0.00 0.00 66.02 64.16 2v48 s SER 35 CO 0.15 -0.18 0.08 0.61 0.98 0.00 0.00 173.24 174.88 2v48 n GLY 36 N 5.04 -0.56 3.55 7.32 0.00 -1.26 -3.20 105.19 116.08 2v48 n GLY 36 Ca -0.14 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2v48 n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2v48 s PRO 37 N -1.64 2.42 -0.23 1.61 0.02 -1.26 -4.42 135.00 131.50 2v48 s PRO 37 Ca 0.06 0.81 0.02 0.00 0.02 0.00 0.00 61.00 61.91 2v48 s PRO 37 Cb -0.01 -4.50 0.04 0.00 0.02 0.00 0.00 34.50 30.05 2v48 s PRO 37 CO 0.05 -3.00 -0.14 0.96 -0.33 0.00 0.00 177.00 174.55 2v48 s ILE 38 N 10.32 2.20 -0.32 2.83 -4.36 0.04 -4.98 121.20 126.93 2v48 s ILE 38 Ca 0.78 -1.34 -0.18 0.00 -0.26 0.00 0.00 60.65 59.65 2v48 s ILE 38 Cb -0.14 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.41 2v48 s ILE 38 CO 0.21 0.19 0.52 -2.16 0.24 0.00 0.00 174.94 173.93 2v48 s PRO 39 N 1.19 3.78 0.79 0.37 0.04 -1.26 0.18 135.00 140.09 2v48 s PRO 39 Ca -0.03 0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.90 2v48 s PRO 39 Cb -0.17 -3.75 0.07 0.00 0.04 0.00 0.00 34.50 30.68 2v48 s PRO 39 CO -0.08 -0.55 1.12 -0.48 0.04 0.00 0.00 177.00 177.05 2v48 s LEU 40 N 2.38 2.57 0.21 -3.56 0.05 0.86 -4.93 118.68 116.25 2v48 s LEU 40 Ca 0.20 1.12 -0.30 0.00 0.05 0.00 0.00 54.13 55.19 2v48 s LEU 40 Cb -0.15 -3.71 -0.16 0.00 -2.05 0.00 0.00 46.19 40.11 2v48 s LEU 40 CO 0.12 -1.89 0.93 -0.81 -0.55 0.00 0.00 176.35 174.15 2v48 n PRO 41 N -3.35 0.83 -2.65 1.48 -0.04 -1.26 -4.39 135.00 125.61 2v48 n PRO 41 Ca 0.07 0.29 -0.30 0.00 -0.04 0.00 0.00 63.50 63.52 2v48 n PRO 41 Cb 0.58 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2v48 n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2v48 s THR 42 N -0.69 4.77 0.49 0.52 2.01 -1.26 -4.63 115.64 116.84 2v48 s THR 42 Ca 0.67 0.65 0.07 0.00 0.31 0.00 0.00 61.69 63.39 2v48 s THR 42 Cb -0.85 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 67.93 2v48 s THR 42 CO 0.56 -0.67 0.67 -0.13 -0.69 0.00 0.00 174.62 174.36 2v48 s ARG 43 N -4.19 2.61 -0.28 4.92 1.81 -0.78 -4.99 118.95 118.05 2v48 s ARG 43 Ca 0.52 -1.26 -0.25 0.00 -1.72 0.00 0.00 55.73 53.03 2v48 s ARG 43 Cb -0.10 -2.67 0.11 0.00 -0.45 0.00 0.00 34.95 31.83 2v48 s ARG 43 CO 0.36 -0.53 0.94 0.54 -0.68 0.00 0.00 175.30 175.93 2v48 s VAL 44 N -2.52 0.00 -0.41 3.52 0.11 -1.26 -2.96 120.40 116.88 2v48 s VAL 44 Ca 0.57 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.64 2v48 s VAL 44 Cb -0.09 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.87 2v48 s VAL 44 CO 0.36 0.00 0.17 -0.13 -3.33 0.00 0.00 175.10 172.16 2v48 s ARG 45 N 0.33 1.82 -0.52 1.54 1.81 -1.14 -4.94 118.95 117.84 2v48 s ARG 45 Ca 0.02 -2.02 -0.02 0.00 -1.72 0.00 0.00 55.73 51.98 2v48 s ARG 45 Cb -0.05 -3.40 0.26 0.00 -0.45 0.00 0.00 34.95 31.31 2v48 s ARG 45 CO -0.05 -1.03 2.21 0.54 -0.68 0.00 0.00 175.30 176.29 2v48 n ARG 46 N 4.14 2.32 -2.31 3.54 1.74 -1.26 -2.46 116.66 122.38 2v48 n ARG 46 Ca 0.02 -2.50 -0.41 0.00 -0.77 0.00 0.00 57.85 54.20 2v48 n ARG 46 Cb 0.40 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 2v48 n ARG 46 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2v48 s PHE 47 N -2.66 3.34 0.43 -1.55 -0.12 -1.15 -4.71 117.98 111.56 2v48 s PHE 47 Ca 0.50 1.53 0.06 0.00 -0.05 0.00 0.00 56.93 58.98 2v48 s PHE 47 Cb 0.38 -3.47 -0.06 0.00 -0.63 0.00 0.00 43.02 39.24 2v48 s PHE 47 CO -0.12 -1.20 0.08 0.99 -0.05 0.00 0.00 175.22 174.92 2v48 s THR 48 N -0.98 1.95 -0.05 -4.49 2.01 -1.26 -1.96 115.64 110.86 2v48 s THR 48 Ca 0.48 -1.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.35 2v48 s THR 48 Cb -0.35 -2.83 0.05 0.00 0.01 0.00 0.00 72.50 69.37 2v48 s THR 48 CO 0.45 0.00 0.53 -0.69 -0.69 0.00 0.00 174.62 174.22 2v48 s VAL 49 N -2.71 0.02 -0.42 3.82 1.01 -1.08 -4.97 120.40 116.08 2v48 s VAL 49 Ca 0.32 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2v48 s VAL 49 Cb 0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 2v48 s VAL 49 CO 0.17 -0.10 1.69 0.27 0.00 0.00 0.00 175.10 177.13 2v48 s ILE 50 N -1.13 3.57 0.00 2.22 -0.00 -1.26 -0.94 121.20 123.66 2v48 s ILE 50 Ca -0.11 0.54 0.00 0.00 -0.00 0.00 0.00 60.65 61.08 2v48 s ILE 50 Cb -0.02 -3.89 0.00 0.00 -0.00 0.00 0.00 42.46 38.55 2v48 s ILE 50 CO 0.07 -0.64 0.48 0.54 -0.00 0.00 0.00 174.94 175.38 2v48 n ARG 51 N 8.51 0.00 -1.26 0.37 1.74 -1.22 -4.53 116.66 120.27 2v48 n ARG 51 Ca 0.20 0.48 -0.36 0.00 -0.77 0.00 0.00 57.85 57.40 2v48 n ARG 51 Cb 0.48 -0.78 0.08 0.00 -1.02 0.00 0.00 32.46 31.23 2v48 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2v48 n GLY 52 N -0.92 -1.05 0.08 -0.13 0.00 -1.26 -4.96 105.19 96.95 2v48 n GLY 52 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 2v48 n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2v48 h PRO 53 N -0.43 -0.06 0.00 1.61 0.13 -2.01 -3.45 132.00 127.78 2v48 h PRO 53 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2v48 h PRO 53 Cb 1.34 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2v48 h PRO 53 CO 0.44 0.52 0.00 0.34 -0.23 0.00 0.00 178.00 179.07 2v48 n PHE 54 N -4.82 0.00 -3.63 1.56 7.35 -1.26 -4.99 117.46 111.67 2v48 n PHE 54 Ca -0.09 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.42 2v48 n PHE 54 Cb 0.30 -0.20 -0.16 0.00 0.35 0.00 0.00 39.48 39.78 2v48 n PHE 54 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2v48 s LYS 55 N -0.54 0.05 -0.33 -4.13 1.02 -1.26 -4.98 119.74 109.57 2v48 s LYS 55 Ca 0.00 0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.42 2v48 s LYS 55 Cb 0.00 -0.73 0.24 0.00 -0.52 0.00 0.00 37.83 36.82 2v48 s LYS 55 CO 0.00 -0.43 1.20 0.72 -0.92 0.00 0.00 175.35 175.92 2v48 n HIS 56 N 5.31 -1.46 -0.07 3.18 8.25 -1.26 -5.02 115.22 124.15 2v48 n HIS 56 Ca -0.05 -1.30 0.08 0.00 -0.26 0.00 0.00 57.72 56.19 2v48 n HIS 56 Cb 0.50 1.36 0.13 0.00 1.12 0.00 0.00 29.99 33.09 2v48 n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2v48 n LYS 57 N -0.64 0.00 -2.78 -0.41 4.76 -1.26 -4.29 118.16 113.54 2v48 n LYS 57 Ca -0.14 0.27 -0.21 0.00 -2.87 0.00 0.00 58.31 55.36 2v48 n LYS 57 Cb 0.75 -0.65 0.08 0.00 -1.84 0.00 0.00 35.03 33.36 2v48 n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2v48 s ASP 58 N -3.26 4.82 0.00 4.39 1.01 -1.26 -4.83 116.67 117.55 2v48 s ASP 58 Ca -0.01 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.75 2v48 s ASP 58 Cb 0.04 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.92 2v48 s ASP 58 CO 0.14 -1.51 0.00 -1.54 0.21 0.00 0.00 175.17 172.47 2v48 n SER 59 N -2.49 -6.72 0.00 0.27 3.41 -1.26 -4.71 113.62 102.12 2v48 n SER 59 Ca 0.14 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2v48 n SER 59 Cb 0.61 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2v48 n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2v48 n ARG 60 N 1.79 3.74 -3.45 4.33 1.74 -1.26 -3.42 116.66 120.12 2v48 n ARG 60 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 2v48 n ARG 60 Cb 0.27 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.67 2v48 n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2v48 s GLU 61 N 2.66 0.35 0.01 5.56 2.12 -0.12 -4.55 118.70 124.73 2v48 s GLU 61 Ca 0.00 0.86 0.02 0.00 0.36 0.00 0.00 54.97 56.21 2v48 s GLU 61 Cb 0.00 0.50 -0.04 0.00 0.26 0.00 0.00 34.13 34.86 2v48 s GLU 61 CO 0.00 -0.12 0.01 -3.38 -0.54 0.00 0.00 175.26 171.23 2v48 s HIS 62 N 2.49 3.09 0.30 5.30 0.00 -1.26 -2.65 115.29 122.56 2v48 s HIS 62 Ca -0.03 0.08 0.10 0.00 -3.00 0.00 0.00 55.06 52.20 2v48 s HIS 62 Cb -0.07 -1.66 -0.05 0.00 -4.00 0.00 0.00 32.58 26.80 2v48 s HIS 62 CO -0.18 0.47 -0.06 -0.06 -1.00 0.00 0.00 174.74 173.92 2v48 s PHE 63 N -1.14 2.51 -0.05 0.38 0.08 -0.83 -4.97 117.98 113.97 2v48 s PHE 63 Ca 0.21 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 2v48 s PHE 63 Cb -0.12 -1.25 0.04 0.00 -0.57 0.00 0.00 43.02 41.12 2v48 s PHE 63 CO 0.12 0.59 0.09 -1.83 -0.10 0.00 0.00 175.22 174.09 2v48 s GLU 64 N -3.64 -0.01 -0.64 0.44 -1.05 -1.23 -2.93 118.70 109.63 2v48 s GLU 64 Ca 0.32 0.36 -0.24 0.00 -0.15 0.00 0.00 54.97 55.26 2v48 s GLU 64 Cb -0.03 -0.32 0.05 0.00 -0.44 0.00 0.00 34.13 33.39 2v48 s GLU 64 CO 0.18 -0.25 1.01 -1.17 0.95 0.00 0.00 175.26 175.99 2v48 s LEU 65 N 1.68 4.09 -0.85 1.83 2.96 -1.03 -4.86 118.68 122.51 2v48 s LEU 65 Ca -0.02 -0.70 -0.25 0.00 -0.22 0.00 0.00 54.13 52.94 2v48 s LEU 65 Cb -0.12 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.04 2v48 s LEU 65 CO -0.04 -1.45 1.32 -0.13 -1.32 0.00 0.00 176.35 174.73 2v48 s ARG 66 N 4.32 3.35 -0.78 1.98 0.52 -1.26 -2.89 118.95 124.18 2v48 s ARG 66 Ca 0.27 -0.65 -0.19 0.00 -0.52 0.00 0.00 55.73 54.64 2v48 s ARG 66 Cb -0.14 -4.64 0.12 0.00 0.52 0.00 0.00 34.95 30.81 2v48 s ARG 66 CO 0.14 -2.14 0.94 0.99 0.02 0.00 0.00 175.30 175.25 2v48 s THR 67 N 5.26 4.80 0.59 0.02 2.01 -1.15 -4.51 115.64 122.65 2v48 s THR 67 Ca 0.38 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 2v48 s THR 67 Cb -0.05 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.77 2v48 s THR 67 CO 0.05 -1.34 1.05 -1.00 -0.69 0.00 0.00 174.62 172.69 2v48 s HIS 68 N 2.60 3.08 -0.32 4.92 3.76 -1.24 -1.86 115.29 126.24 2v48 s HIS 68 Ca 0.23 1.50 -0.02 0.00 -0.15 0.00 0.00 55.06 56.62 2v48 s HIS 68 Cb -0.13 -2.96 0.12 0.00 1.11 0.00 0.00 32.58 30.72 2v48 s HIS 68 CO -0.02 -0.99 0.19 -0.80 -0.85 0.00 0.00 174.74 172.27 2v48 s ASN 69 N -2.91 3.02 -0.15 1.40 0.01 -1.26 -3.26 114.94 111.79 2v48 s ASN 69 Ca 0.62 -1.65 -0.07 0.00 -0.71 0.00 0.00 52.86 51.06 2v48 s ASN 69 Cb -0.15 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 2v48 s ASN 69 CO 0.37 -0.37 0.08 -0.60 -1.51 0.00 0.00 177.10 175.07 2v48 s ARG 70 N 1.64 3.71 0.18 -0.60 3.52 -0.74 -0.10 118.95 126.56 2v48 s ARG 70 Ca 0.13 -0.29 0.10 0.00 -0.13 0.00 0.00 55.73 55.54 2v48 s ARG 70 Cb -0.19 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 2v48 s ARG 70 CO -0.19 0.47 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.40 2v48 s LEU 71 N -0.18 2.44 -0.27 -0.88 2.96 0.48 -0.47 118.68 122.76 2v48 s LEU 71 Ca 0.08 -0.87 -0.19 0.00 -0.22 0.00 0.00 54.13 52.93 2v48 s LEU 71 Cb -0.12 -0.96 0.07 0.00 0.50 0.00 0.00 46.19 45.69 2v48 s LEU 71 CO 0.01 0.02 0.68 -0.69 -1.32 0.00 0.00 176.35 175.05 2v48 s VAL 72 N -1.94 -0.00 0.00 1.68 1.01 -1.04 -0.78 120.40 119.33 2v48 s VAL 72 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2v48 s VAL 72 Cb -0.06 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 2v48 s VAL 72 CO 0.08 0.00 -0.01 -1.81 0.00 0.00 0.00 175.10 173.36 2v48 s ASP 73 N 1.12 0.11 0.31 3.32 1.01 -1.20 -1.73 116.67 119.61 2v48 s ASP 73 Ca -0.06 -0.07 -0.09 0.00 0.71 0.00 0.00 52.55 53.04 2v48 s ASP 73 Cb -0.05 0.00 -0.07 0.00 1.01 0.00 0.00 42.92 43.81 2v48 s ASP 73 CO -0.11 -0.02 0.64 0.27 0.21 0.00 0.00 175.17 176.15 2v48 s ILE 74 N -0.17 4.89 -0.00 0.77 -4.36 -0.79 0.11 121.20 121.65 2v48 s ILE 74 Ca -0.01 0.44 -0.21 0.00 -0.26 0.00 0.00 60.65 60.60 2v48 s ILE 74 Cb -0.01 -3.69 -0.21 0.00 1.25 0.00 0.00 42.46 39.81 2v48 s ILE 74 CO -0.00 -0.29 1.15 0.16 0.24 0.00 0.00 174.94 176.19 2v48 h ILE 75 N 1.53 1.44 -3.40 8.37 3.07 -0.81 -0.84 117.51 126.88 2v48 h ILE 75 Ca -0.47 -1.81 -0.22 0.00 1.55 0.00 0.00 64.86 63.90 2v48 h ILE 75 Cb 1.18 2.44 -0.29 0.00 -0.27 0.00 0.00 36.82 39.88 2v48 h ILE 75 CO 0.66 0.52 -0.60 0.21 -1.05 0.00 0.00 178.15 177.88 2v48 s ASN 76 N -6.43 -0.10 -0.76 2.16 2.47 -1.26 -0.91 114.94 110.11 2v48 s ASN 76 Ca -0.14 0.23 -0.26 0.00 0.42 0.00 0.00 52.86 53.11 2v48 s ASN 76 Cb 0.03 0.19 -0.08 0.00 -1.45 0.00 0.00 41.25 39.94 2v48 s ASN 76 CO 0.78 -0.08 2.19 -2.16 -3.72 0.00 0.00 177.10 174.10 2v48 s PRO 77 N 0.52 2.12 -0.23 0.43 0.04 -1.26 -4.36 135.00 132.26 2v48 s PRO 77 Ca -0.04 0.39 -0.24 0.00 0.04 0.00 0.00 61.00 61.16 2v48 s PRO 77 Cb -0.05 -4.79 -0.01 0.00 0.04 0.00 0.00 34.50 29.68 2v48 s PRO 77 CO -0.02 -3.70 0.79 -0.80 0.04 0.00 0.00 177.00 173.31 2v48 s ASN 78 N 9.80 6.81 0.00 6.66 0.01 -1.26 -4.87 114.94 132.08 2v48 s ASN 78 Ca 0.83 1.00 0.00 0.00 -0.71 0.00 0.00 52.86 53.97 2v48 s ASN 78 Cb -0.11 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2v48 s ASN 78 CO 0.10 -0.46 0.20 0.54 -1.51 0.00 0.00 177.10 175.97 2v48 n ARG 79 N 5.78 0.21 -0.82 -0.60 5.12 -1.26 -0.55 116.66 124.54 2v48 n ARG 79 Ca 0.04 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.99 2v48 n ARG 79 Cb 0.48 -1.00 0.33 0.00 -1.16 0.00 0.00 32.46 31.11 2v48 n ARG 79 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2v48 n LYS 80 N -0.49 3.87 0.00 5.56 3.00 -1.26 -4.16 118.16 124.67 2v48 n LYS 80 Ca 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 58.31 55.24 2v48 n LYS 80 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 32.91 2v48 n LYS 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2v48 n THR 81 N -0.01 0.00 0.18 3.15 -2.24 0.29 -4.52 114.28 111.14 2v48 n THR 81 Ca 0.31 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.13 2v48 n THR 81 Cb 1.17 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 69.61 2v48 n THR 81 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2v48 n ILE 82 N -0.13 1.50 -0.11 2.28 2.08 -1.15 -1.50 119.36 122.34 2v48 n ILE 82 Ca 0.00 0.45 -0.22 0.00 0.56 0.00 0.00 62.75 63.54 2v48 n ILE 82 Cb 0.00 -1.38 -0.08 0.00 -0.75 0.00 0.00 39.64 37.42 2v48 n ILE 82 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2v48 n GLU 83 N -1.68 0.48 0.00 0.38 2.13 -1.26 -4.10 120.64 116.59 2v48 n GLU 83 Ca 0.01 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2v48 n GLU 83 Cb 0.07 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.47 2v48 n GLU 83 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2v48 n GLN 84 N -3.84 0.00 0.15 5.31 3.00 -0.75 -3.57 117.38 117.69 2v48 n GLN 84 Ca -0.43 0.16 -0.13 0.00 -0.01 0.00 0.00 57.00 56.60 2v48 n GLN 84 Cb 0.83 -0.86 -0.08 0.00 0.00 0.00 0.00 30.24 30.13 2v48 n GLN 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2v48 h LEU 85 N 0.00 -0.36 -1.36 1.08 3.38 -1.55 -2.62 115.31 113.88 2v48 h LEU 85 Ca 0.00 -0.18 0.39 0.00 0.09 0.00 0.00 57.88 58.18 2v48 h LEU 85 Cb 0.00 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2v48 h LEU 85 CO 0.00 0.05 0.99 0.80 0.09 0.00 0.00 178.44 180.37 2v48 n MET 86 N -5.11 0.00 -2.70 1.13 1.56 -1.21 -0.81 117.12 109.97 2v48 n MET 86 Ca -0.09 0.75 -0.06 0.00 -0.27 0.00 0.00 57.70 58.03 2v48 n MET 86 Cb 0.27 -1.74 0.06 0.00 2.15 0.00 0.00 33.22 33.95 2v48 n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2v48 n THR 87 N -3.31 0.76 -1.21 1.12 -2.24 -1.23 -4.83 114.28 103.34 2v48 n THR 87 Ca 0.31 -2.54 0.08 0.00 -2.27 0.00 0.00 64.05 59.63 2v48 n THR 87 Cb 1.40 0.89 0.17 0.00 -2.10 0.00 0.00 70.33 70.68 2v48 n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2v48 n LEU 88 N -0.39 2.65 -4.47 3.22 7.94 0.01 -4.96 117.00 121.00 2v48 n LEU 88 Ca 0.04 -3.31 -0.60 0.00 -1.11 0.00 0.00 56.01 51.03 2v48 n LEU 88 Cb 0.83 -0.47 -0.10 0.00 0.53 0.00 0.00 43.42 44.20 2v48 n LEU 88 CO 0.12 0.90 1.55 0.47 -1.11 0.00 0.00 177.39 179.32 2v48 n ASP 89 N -1.27 1.35 -2.75 1.96 8.00 -1.26 -4.87 116.55 117.72 2v48 n ASP 89 Ca 0.18 0.81 -0.09 0.00 0.71 0.00 0.00 54.79 56.40 2v48 n ASP 89 Cb 0.69 -0.99 0.07 0.00 -0.02 0.00 0.00 41.12 40.87 2v48 n ASP 89 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2v48 n LEU 90 N 6.78 -2.55 0.00 0.64 7.94 -1.26 -5.12 117.00 123.42 2v48 n LEU 90 Ca 0.43 -3.55 0.00 0.00 -1.11 0.00 0.00 56.01 51.78 2v48 n LEU 90 Cb 0.03 0.89 0.00 0.00 0.53 0.00 0.00 43.42 44.87 2v48 n LEU 90 CO 0.85 2.05 0.00 -0.81 -1.11 0.00 0.00 177.39 178.37 2v48 n PRO 91 N 0.93 0.00 0.00 1.96 -0.04 -1.26 -5.02 135.00 131.57 2v48 n PRO 91 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2v48 n PRO 91 Cb 0.67 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.13 2v48 n PRO 91 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2v48 n THR 92 N 0.00 0.00 -2.10 0.52 5.66 -1.26 -4.96 114.28 112.15 2v48 n THR 92 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2v48 n THR 92 Cb 0.00 -0.05 0.01 0.00 -1.55 0.00 0.00 70.33 68.74 2v48 n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2v48 n GLY 93 N -0.93 -0.35 3.94 1.09 0.00 -1.26 -5.15 105.19 102.53 2v48 n GLY 93 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2v48 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2v48 s VAL 94 N 0.01 3.78 -0.07 1.61 1.01 -1.26 -4.74 120.40 120.74 2v48 s VAL 94 Ca 0.01 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2v48 s VAL 94 Cb 0.05 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2v48 s VAL 94 CO -0.01 -0.35 -0.10 -0.70 0.00 0.00 0.00 175.10 173.93 2v48 s GLU 95 N -4.71 1.52 0.01 2.72 2.56 -1.24 -4.99 118.70 114.56 2v48 s GLU 95 Ca 0.51 -0.34 0.03 0.00 0.00 0.00 0.00 54.97 55.17 2v48 s GLU 95 Cb -0.10 -1.32 -0.01 0.00 2.00 0.00 0.00 34.13 34.69 2v48 s GLU 95 CO 0.40 -0.03 -0.09 0.96 -0.56 0.00 0.00 175.26 175.94 2v48 s ILE 96 N 0.84 0.72 0.31 -3.70 -0.00 -1.25 -0.15 121.20 117.97 2v48 s ILE 96 Ca -0.12 -0.65 0.08 0.00 -0.00 0.00 0.00 60.65 59.96 2v48 s ILE 96 Cb -0.15 -0.66 -0.06 0.00 -0.00 0.00 0.00 42.46 41.59 2v48 s ILE 96 CO 0.02 0.02 -0.07 -1.61 -0.00 0.00 0.00 174.94 173.30 2v48 s GLU 97 N -0.70 1.66 0.05 0.37 0.41 -1.16 -4.91 118.70 114.43 2v48 s GLU 97 Ca 0.00 -1.85 0.01 0.00 -0.41 0.00 0.00 54.97 52.72 2v48 s GLU 97 Cb -0.06 -1.37 -0.03 0.00 -1.78 0.00 0.00 34.13 30.89 2v48 s GLU 97 CO 0.00 0.07 -0.06 0.42 -0.49 0.00 0.00 175.26 175.20 2v48 s ILE 98 N -2.85 0.47 0.14 -1.63 1.09 -1.22 -2.34 121.20 114.86 2v48 s ILE 98 Ca 0.31 -1.32 0.03 0.00 -1.10 0.00 0.00 60.65 58.57 2v48 s ILE 98 Cb 0.03 -0.89 -0.01 0.00 -1.06 0.00 0.00 42.46 40.54 2v48 s ILE 98 CO 0.14 -0.58 0.11 0.29 -0.10 0.00 0.00 174.94 174.80 2v48 n LYS 99 N 1.01 0.28 -3.18 2.79 4.76 -0.89 -4.88 118.16 118.04 2v48 n LYS 99 Ca -0.20 -1.40 -0.19 0.00 -2.87 0.00 0.00 58.31 53.65 2v48 n LYS 99 Cb 0.57 1.08 -0.04 0.00 -1.84 0.00 0.00 35.03 34.81 2v48 n LYS 99 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2v48 n THR 100 N -0.29 -0.03 0.00 -0.18 -2.24 -1.18 -3.63 114.28 106.73 2v48 n THR 100 Ca 0.02 -4.59 0.00 0.00 -2.27 0.00 0.00 64.05 57.22 2v48 n THR 100 Cb 0.25 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2v48 n THR 100 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83