#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 n ILE 6 N 0.00 1.25 -1.58 5.15 5.41 -1.19 -4.64 119.36 123.77 1vs7 n ILE 6 Ca 0.00 -4.77 -0.45 0.00 1.00 0.00 0.00 62.75 58.53 1vs7 n ILE 6 Cb 0.00 -2.05 -0.04 0.00 -0.71 0.00 0.00 39.64 36.84 1vs7 n ILE 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1vs7 n ARG 7 N 1.09 1.84 -3.85 0.38 0.63 0.98 -3.87 116.66 113.86 1vs7 n ARG 7 Ca 0.27 0.52 -0.34 0.00 -0.92 0.00 0.00 57.85 57.38 1vs7 n ARG 7 Cb 0.45 -3.06 -0.12 0.00 0.45 0.00 0.00 32.46 30.18 1vs7 n ARG 7 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1vs7 s ILE 8 N 7.78 3.02 0.57 5.15 -4.36 -1.26 0.26 121.20 132.36 1vs7 s ILE 8 Ca 1.02 -2.49 -0.18 0.00 -0.26 0.00 0.00 60.65 58.74 1vs7 s ILE 8 Cb -0.46 -3.08 -0.04 0.00 1.25 0.00 0.00 42.46 40.13 1vs7 s ILE 8 CO 0.39 -0.72 1.11 -0.13 0.24 0.00 0.00 174.94 175.82 1vs7 s ARG 9 N 0.64 3.25 -0.31 0.37 1.81 -1.26 -4.47 118.95 118.98 1vs7 s ARG 9 Ca 0.12 1.48 0.00 0.00 -1.72 0.00 0.00 55.73 55.61 1vs7 s ARG 9 Cb -0.22 -2.00 0.14 0.00 -0.45 0.00 0.00 34.95 32.42 1vs7 s ARG 9 CO -0.04 -0.91 0.30 -0.51 -0.68 0.00 0.00 175.30 173.46 1vs7 s LEU 10 N -4.14 -0.11 -0.41 2.53 1.43 -1.07 -3.95 118.68 112.97 1vs7 s LEU 10 Ca 0.69 -1.02 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1vs7 s LEU 10 Cb -0.21 0.44 0.08 0.00 0.03 0.00 0.00 46.19 46.53 1vs7 s LEU 10 CO 0.31 -0.36 0.22 -0.54 0.23 0.00 0.00 176.35 176.21 1vs7 s LYS 11 N 2.10 2.46 -0.04 1.70 1.02 -0.49 -0.77 119.74 125.72 1vs7 s LYS 11 Ca 0.11 -1.52 0.05 0.00 0.02 0.00 0.00 55.97 54.64 1vs7 s LYS 11 Cb -0.15 -3.68 -0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1vs7 s LYS 11 CO -0.26 -0.95 -0.20 0.00 -0.92 0.00 0.00 175.35 173.02 1vs7 s ALA 12 N 1.35 1.75 0.17 5.17 0.00 0.47 -2.10 121.76 128.56 1vs7 s ALA 12 Ca 0.03 -0.83 0.26 0.00 0.00 0.00 0.00 51.96 51.42 1vs7 s ALA 12 Cb -0.23 -0.54 1.08 0.00 0.00 0.00 0.00 23.12 23.43 1vs7 s ALA 12 CO 0.00 0.35 1.89 0.74 0.00 0.00 0.00 175.76 178.74 1vs7 h PHE 13 N 6.07 0.00 -3.14 0.00 0.05 -1.79 -1.70 116.94 116.44 1vs7 h PHE 13 Ca -0.34 0.00 -0.67 0.00 3.82 0.00 0.00 57.97 60.79 1vs7 h PHE 13 Cb 1.17 0.00 -0.34 0.00 2.00 0.00 0.00 35.95 38.78 1vs7 h PHE 13 CO 0.43 0.17 -0.83 0.34 -0.18 0.00 0.00 178.31 178.23 1vs7 s ASP 14 N -6.09 3.39 0.26 2.17 2.15 -1.26 -4.58 116.67 112.71 1vs7 s ASP 14 Ca 0.00 -0.62 -0.03 0.00 0.43 0.00 0.00 52.55 52.32 1vs7 s ASP 14 Cb 0.10 -1.53 0.33 0.00 -0.30 0.00 0.00 42.92 41.52 1vs7 s ASP 14 CO 0.61 -0.01 1.84 1.12 -0.17 0.00 0.00 175.17 178.56 1vs7 h HIS 15 N 7.97 1.00 0.00 -5.34 2.07 -1.92 0.12 115.15 119.05 1vs7 h HIS 15 Ca -0.44 -0.07 -0.00 0.00 -2.85 0.00 0.00 60.37 57.01 1vs7 h HIS 15 Cb 1.14 -0.30 -0.00 0.00 2.57 0.00 0.00 27.41 30.82 1vs7 h HIS 15 CO 0.50 0.77 -0.02 -0.09 -3.07 0.00 0.00 177.93 176.02 1vs7 h ARG 16 N 0.97 0.00 0.06 5.12 2.43 -1.97 0.02 114.38 121.00 1vs7 h ARG 16 Ca 0.23 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 59.03 1vs7 h ARG 16 Cb 0.20 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1vs7 h ARG 16 CO -0.02 0.02 -2.18 -0.11 -1.51 0.00 0.00 179.97 176.18 1vs7 n LEU 17 N -3.23 2.38 0.20 3.80 -0.00 -0.47 -3.95 117.00 115.73 1vs7 n LEU 17 Ca -0.02 0.09 0.05 0.00 -0.00 0.00 0.00 56.01 56.13 1vs7 n LEU 17 Cb 0.17 -0.79 0.42 0.00 -0.00 0.00 0.00 43.42 43.22 1vs7 n LEU 17 CO 0.24 0.81 0.77 -0.29 -0.00 0.00 0.00 177.39 178.92 1vs7 h ILE 18 N 0.03 1.08 -0.00 1.96 2.10 -0.39 -1.59 117.51 120.69 1vs7 h ILE 18 Ca -0.48 -1.17 -0.09 0.00 1.08 0.00 0.00 64.86 64.21 1vs7 h ILE 18 Cb 2.00 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 39.38 1vs7 h ILE 18 CO 0.02 0.32 -0.41 0.44 -1.08 0.00 0.00 178.15 177.44 1vs7 h ASP 19 N 0.00 0.00 0.02 2.19 3.45 -1.16 0.55 116.42 121.47 1vs7 h ASP 19 Ca -0.00 -0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.24 1vs7 h ASP 19 Cb 0.63 -0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.42 1vs7 h ASP 19 CO 0.04 0.41 -0.87 1.56 -1.57 0.00 0.00 179.24 178.81 1vs7 h GLN 20 N 0.00 0.55 -0.12 3.56 4.20 -1.44 -2.94 115.11 118.91 1vs7 h GLN 20 Ca -0.00 -0.62 -0.19 0.00 0.06 0.00 0.00 58.65 57.90 1vs7 h GLN 20 Cb 0.72 0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.69 1vs7 h GLN 20 CO 0.05 1.24 -0.65 0.00 -0.67 0.00 0.00 178.83 178.80 1vs7 h ALA 21 N 0.33 0.24 -0.77 3.87 0.00 -1.13 -1.09 119.26 120.71 1vs7 h ALA 21 Ca -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.27 1vs7 h ALA 21 Cb 1.56 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1vs7 h ALA 21 CO 0.17 0.53 0.51 0.00 0.00 0.00 0.00 179.25 180.46 1vs7 h THR 22 N 0.32 1.13 0.08 0.00 1.03 0.01 -1.71 112.91 113.77 1vs7 h THR 22 Ca -0.05 -0.33 -0.26 0.00 -0.01 0.00 0.00 66.41 65.76 1vs7 h THR 22 Cb 1.30 0.08 0.01 0.00 -1.07 0.00 0.00 68.15 68.47 1vs7 h THR 22 CO 0.14 0.18 -1.12 0.00 -0.01 0.00 0.00 175.52 174.70 1vs7 h ALA 23 N 1.54 0.19 -0.73 0.00 0.00 -1.51 -2.53 119.26 116.22 1vs7 h ALA 23 Ca 0.30 -0.79 0.18 0.00 0.00 0.00 0.00 54.91 54.60 1vs7 h ALA 23 Cb 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1vs7 h ALA 23 CO -0.09 0.85 0.50 1.49 0.00 0.00 0.00 179.25 182.01 1vs7 h GLU 24 N 0.17 0.21 0.00 0.00 4.57 -0.30 0.81 114.58 120.04 1vs7 h GLU 24 Ca -0.12 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.81 1vs7 h GLU 24 Cb 1.80 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 30.30 1vs7 h GLU 24 CO 0.19 0.14 -1.43 0.82 -1.18 0.00 0.00 179.01 177.56 1vs7 h ILE 25 N 0.22 0.94 -0.02 2.32 2.04 -1.38 -3.16 117.51 118.46 1vs7 h ILE 25 Ca 0.36 -2.65 -0.03 0.00 1.00 0.00 0.00 64.86 63.54 1vs7 h ILE 25 Cb 1.09 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1vs7 h ILE 25 CO -0.07 0.53 -0.09 0.58 0.00 0.00 0.00 178.15 179.10 1vs7 h VAL 26 N 0.00 1.49 0.27 1.67 2.07 -0.13 -2.47 116.25 119.14 1vs7 h VAL 26 Ca -0.19 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1vs7 h VAL 26 Cb 1.83 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 34.05 1vs7 h VAL 26 CO 0.08 0.42 -0.25 -0.08 0.02 0.00 0.00 177.57 177.76 1vs7 h GLU 27 N -0.50 -0.52 0.00 1.57 4.81 0.30 -1.58 114.58 118.66 1vs7 h GLU 27 Ca -0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1vs7 h GLU 27 Cb 0.73 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 1vs7 h GLU 27 CO 0.02 -0.35 -0.04 1.15 -0.73 0.00 0.00 179.01 179.06 1vs7 h THR 28 N -0.54 0.89 0.09 0.32 2.02 -1.65 -2.68 112.91 111.35 1vs7 h THR 28 Ca -0.01 -0.15 -0.25 0.00 0.77 0.00 0.00 66.41 66.76 1vs7 h THR 28 Cb 0.49 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1vs7 h THR 28 CO -0.04 0.04 -1.15 0.00 0.37 0.00 0.00 175.52 174.74 1vs7 h ALA 29 N 1.96 0.19 0.00 6.16 0.00 -1.04 -3.18 119.26 123.35 1vs7 h ALA 29 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1vs7 h ALA 29 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vs7 h ALA 29 CO 0.01 0.97 0.00 1.17 0.00 0.00 0.00 179.25 181.39 1vs7 n LYS 30 N -3.56 0.33 -0.93 0.00 0.00 -0.63 -1.91 118.16 111.46 1vs7 n LYS 30 Ca -0.07 0.03 -0.07 0.00 0.00 0.00 0.00 58.31 58.20 1vs7 n LYS 30 Cb 0.97 -1.50 0.18 0.00 0.00 0.00 0.00 35.03 34.68 1vs7 n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vs7 n ARG 31 N -1.04 2.00 0.00 1.64 1.74 -1.20 -4.84 116.66 114.96 1vs7 n ARG 31 Ca 0.08 -3.31 0.00 0.00 -0.77 0.00 0.00 57.85 53.86 1vs7 n ARG 31 Cb 0.05 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 1vs7 n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1vs7 n THR 32 N -1.08 0.00 0.00 0.55 5.66 -0.80 -5.10 114.28 113.51 1vs7 n THR 32 Ca 0.34 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 1vs7 n THR 32 Cb 0.98 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 1vs7 n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vs7 n GLY 33 N -1.44 -2.58 0.00 1.09 0.00 -1.02 -4.97 105.19 96.28 1vs7 n GLY 33 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1vs7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs7 n ALA 34 N -3.00 0.00 -0.33 4.61 0.00 -1.26 -5.00 120.51 115.52 1vs7 n ALA 34 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1vs7 n ALA 34 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 1vs7 n ALA 34 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1vs7 h GLN 35 N 0.00 -0.00 -5.17 0.00 4.15 -1.94 -3.48 115.11 108.67 1vs7 h GLN 35 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1vs7 h GLN 35 Cb 0.00 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.58 1vs7 h GLN 35 CO 0.00 -0.00 -1.39 0.28 -1.93 0.00 0.00 178.83 175.79 1vs7 n VAL 36 N -5.59-11.40 0.00 2.39 0.31 -1.26 -4.90 118.33 97.89 1vs7 n VAL 36 Ca 0.14 2.41 0.00 0.00 -0.01 0.00 0.00 64.34 66.88 1vs7 n VAL 36 Cb 0.47 -6.07 0.00 0.00 -0.91 0.00 0.00 33.84 27.33 1vs7 n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vs7 n ARG 37 N 1.77 0.00 0.00 5.55 0.00 -1.26 -4.98 116.66 117.74 1vs7 n ARG 37 Ca -0.35 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1vs7 n ARG 37 Cb 0.55 -0.81 0.00 0.00 0.00 0.00 0.00 32.46 32.20 1vs7 n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vs7 n GLY 38 N -0.65 4.19 3.55 5.14 0.00 -1.26 -5.05 105.19 111.10 1vs7 n GLY 38 Ca 0.00 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1vs7 n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vs7 s PRO 39 N -3.09 2.85 -0.22 1.61 0.04 -1.26 -3.59 135.00 131.35 1vs7 s PRO 39 Ca 0.00 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 60.95 1vs7 s PRO 39 Cb 0.00 -4.55 -0.04 0.00 0.04 0.00 0.00 34.50 29.94 1vs7 s PRO 39 CO 0.00 -2.65 0.33 0.96 0.04 0.00 0.00 177.00 175.69 1vs7 s ILE 40 N 7.99 5.24 -0.01 0.56 -4.36 -1.26 -4.91 121.20 124.45 1vs7 s ILE 40 Ca 0.57 0.56 -0.24 0.00 -0.26 0.00 0.00 60.65 61.29 1vs7 s ILE 40 Cb -0.09 -3.67 -0.16 0.00 1.25 0.00 0.00 42.46 39.79 1vs7 s ILE 40 CO 0.12 0.27 1.11 1.55 0.24 0.00 0.00 174.94 178.24 1vs7 h PRO 41 N 7.46 -0.36 -1.96 0.37 0.13 -1.94 -2.29 132.00 133.41 1vs7 h PRO 41 Ca -0.36 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 64.99 1vs7 h PRO 41 Cb 1.16 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1vs7 h PRO 41 CO 0.70 -0.02 -0.68 1.28 -0.23 0.00 0.00 178.00 179.05 1vs7 n LEU 42 N -5.08 -0.57 -4.64 1.56 4.32 -1.26 -4.09 117.00 107.24 1vs7 n LEU 42 Ca -0.09 1.32 -0.36 0.00 -0.02 0.00 0.00 56.01 56.86 1vs7 n LEU 42 Cb 0.26 -1.92 0.08 0.00 -1.62 0.00 0.00 43.42 40.23 1vs7 n LEU 42 CO 0.29 -1.31 0.60 -0.81 -1.22 0.00 0.00 177.39 174.94 1vs7 n PRO 43 N -3.36 0.68 -3.58 3.23 -0.04 -1.26 -4.85 135.00 125.82 1vs7 n PRO 43 Ca -0.05 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.30 1vs7 n PRO 43 Cb 0.38 -2.27 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 1vs7 n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1vs7 s THR 44 N -1.68 4.33 -0.12 0.52 2.01 -1.26 -4.69 115.64 114.74 1vs7 s THR 44 Ca 0.76 -2.59 -0.30 0.00 0.31 0.00 0.00 61.69 59.86 1vs7 s THR 44 Cb -0.37 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.29 1vs7 s THR 44 CO 0.48 -0.90 2.10 0.54 -0.69 0.00 0.00 174.62 176.14 1vs7 n ARG 45 N 3.90 2.24 -3.97 4.92 1.74 -1.26 -4.74 116.66 119.50 1vs7 n ARG 45 Ca 0.06 0.73 -0.32 0.00 -0.77 0.00 0.00 57.85 57.55 1vs7 n ARG 45 Cb 0.41 -3.03 -0.14 0.00 -1.02 0.00 0.00 32.46 28.68 1vs7 n ARG 45 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1vs7 s LYS 46 N 5.43 1.63 -0.31 5.56 -2.85 -1.26 -1.91 119.74 126.03 1vs7 s LYS 46 Ca 0.97 -1.93 -0.23 0.00 -1.00 0.00 0.00 55.97 53.77 1vs7 s LYS 46 Cb -0.45 -3.29 -0.00 0.00 -2.06 0.00 0.00 37.83 32.02 1vs7 s LYS 46 CO 0.41 -0.98 0.77 -1.21 0.10 0.00 0.00 175.35 174.43 1vs7 s GLU 47 N 0.85 3.94 0.45 1.78 0.41 -1.25 -4.87 118.70 120.01 1vs7 s GLU 47 Ca 0.11 0.54 0.07 0.00 -0.41 0.00 0.00 54.97 55.28 1vs7 s GLU 47 Cb -0.20 -3.73 -0.02 0.00 -1.78 0.00 0.00 34.13 28.40 1vs7 s GLU 47 CO -0.07 -0.67 0.33 -0.98 -0.49 0.00 0.00 175.26 173.38 1vs7 s ARG 48 N 2.92 2.38 0.22 1.61 1.70 -1.26 -2.65 118.95 123.87 1vs7 s ARG 48 Ca 0.31 -1.73 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 1vs7 s ARG 48 Cb -0.14 -2.21 -0.04 0.00 -0.57 0.00 0.00 34.95 31.99 1vs7 s ARG 48 CO 0.13 -0.27 0.14 -0.06 -1.08 0.00 0.00 175.30 174.15 1vs7 s PHE 49 N -2.58 1.27 -0.03 5.89 0.08 0.37 -4.93 117.98 118.05 1vs7 s PHE 49 Ca 0.43 -1.38 0.01 0.00 0.12 0.00 0.00 56.93 56.12 1vs7 s PHE 49 Cb -0.01 -0.62 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 1vs7 s PHE 49 CO 0.25 -0.62 -0.05 0.99 -0.10 0.00 0.00 175.22 175.69 1vs7 s THR 50 N -4.04 0.51 -0.14 0.64 2.01 -1.26 -0.25 115.64 113.12 1vs7 s THR 50 Ca 0.39 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.04 1vs7 s THR 50 Cb 0.07 -0.49 0.04 0.00 0.01 0.00 0.00 72.50 72.13 1vs7 s THR 50 CO 0.14 0.18 0.44 0.54 -0.69 0.00 0.00 174.62 175.24 1vs7 s VAL 51 N 0.43 0.01 0.03 3.82 0.11 -1.24 -4.92 120.40 118.63 1vs7 s VAL 51 Ca -0.05 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 1vs7 s VAL 51 Cb -0.09 -0.65 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1vs7 s VAL 51 CO -0.00 -0.04 1.49 -0.76 -3.33 0.00 0.00 175.10 172.45 1vs7 s LEU 52 N -0.11 4.34 0.24 2.54 1.02 -1.26 0.45 118.68 125.89 1vs7 s LEU 52 Ca -0.03 2.26 0.12 0.00 0.02 0.00 0.00 54.13 56.50 1vs7 s LEU 52 Cb -0.03 -3.56 0.11 0.00 0.02 0.00 0.00 46.19 42.73 1vs7 s LEU 52 CO 0.02 -0.77 1.46 -0.29 0.02 0.00 0.00 176.35 176.78 1vs7 h ILE 53 N 4.84 1.25 -3.08 -0.59 2.10 -1.86 -3.45 117.51 116.71 1vs7 h ILE 53 Ca -0.40 -2.51 -0.62 0.00 1.08 0.00 0.00 64.86 62.41 1vs7 h ILE 53 Cb 1.19 2.45 -0.10 0.00 -1.09 0.00 0.00 36.82 39.27 1vs7 h ILE 53 CO 0.91 0.66 -0.45 -0.55 -1.08 0.00 0.00 178.15 177.63 1vs7 s SER 54 N -6.59 6.32 -0.16 2.19 0.15 -1.26 -5.04 113.70 109.31 1vs7 s SER 54 Ca 0.02 0.37 -0.29 0.00 0.70 0.00 0.00 55.95 56.74 1vs7 s SER 54 Cb 0.10 -2.10 -0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1vs7 s SER 54 CO 0.76 0.24 1.04 -2.16 1.20 0.00 0.00 173.24 174.32 1vs7 s PRO 55 N -0.09 4.34 0.29 5.44 0.04 -1.26 -4.74 135.00 139.02 1vs7 s PRO 55 Ca 0.12 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1vs7 s PRO 55 Cb -0.12 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1vs7 s PRO 55 CO 0.01 -0.47 0.00 1.58 0.04 0.00 0.00 177.00 178.16 1vs7 n HIS 56 N 5.65 -2.85 -2.52 0.56 -0.00 -1.26 -4.98 115.22 109.82 1vs7 n HIS 56 Ca 0.10 1.50 0.04 0.00 -0.00 0.00 0.00 57.72 59.37 1vs7 n HIS 56 Cb 0.47 -2.70 -0.01 0.00 -0.00 0.00 0.00 29.99 27.75 1vs7 n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1vs7 n VAL 57 N -0.46 0.00 -2.41 3.57 3.14 -1.26 -5.01 118.33 115.90 1vs7 n VAL 57 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1vs7 n VAL 57 Cb 0.00 -0.10 -0.01 0.00 -1.06 0.00 0.00 33.84 32.66 1vs7 n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1vs7 n ASN 58 N -3.67 -4.65 0.10 6.55 3.02 -1.26 -4.86 115.26 110.48 1vs7 n ASN 58 Ca 0.00 1.09 -0.06 0.00 -0.03 0.00 0.00 54.58 55.58 1vs7 n ASN 58 Cb 0.14 -4.35 -0.03 0.00 -0.61 0.00 0.00 39.78 34.93 1vs7 n ASN 58 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1vs7 h LYS 59 N 2.63 -0.32 0.00 3.52 3.64 -1.97 -3.30 116.57 120.77 1vs7 h LYS 59 Ca -0.15 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1vs7 h LYS 59 Cb 0.34 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1vs7 h LYS 59 CO 0.05 -0.15 0.00 -0.25 -2.27 0.00 0.00 179.45 176.83 1vs7 n ASP 60 N -5.00 0.00 0.00 4.20 8.00 -1.26 -4.12 116.55 118.37 1vs7 n ASP 60 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1vs7 n ASP 60 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1vs7 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vs7 n ALA 61 N -0.44 0.00 -1.47 2.24 0.00 -1.24 -5.01 120.51 114.59 1vs7 n ALA 61 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1vs7 n ALA 61 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1vs7 n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs7 n ARG 62 N 0.00 -3.35 -3.00 0.00 5.12 -1.24 -4.76 116.66 109.43 1vs7 n ARG 62 Ca 0.00 2.70 0.03 0.00 -1.93 0.00 0.00 57.85 58.65 1vs7 n ARG 62 Cb 0.00 -3.94 0.00 0.00 -1.16 0.00 0.00 32.46 27.36 1vs7 n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1vs7 s ASP 63 N -7.31 -0.67 -0.28 0.55 3.68 0.17 -4.21 116.67 108.60 1vs7 s ASP 63 Ca 0.00 -0.16 -0.37 0.00 2.13 0.00 0.00 52.55 54.15 1vs7 s ASP 63 Cb 0.00 1.09 -0.13 0.00 -1.45 0.00 0.00 42.92 42.43 1vs7 s ASP 63 CO 0.00 -0.10 1.95 0.00 0.13 0.00 0.00 175.17 177.15 1vs7 n GLN 64 N 4.43 1.29 -3.85 4.34 1.13 -1.26 -3.67 117.38 119.79 1vs7 n GLN 64 Ca 0.08 0.44 -0.36 0.00 -1.94 0.00 0.00 57.00 55.21 1vs7 n GLN 64 Cb 0.60 -2.32 -0.13 0.00 0.11 0.00 0.00 30.24 28.49 1vs7 n GLN 64 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1vs7 s TYR 65 N 5.10 3.23 0.51 1.08 4.12 0.66 -4.91 117.35 127.13 1vs7 s TYR 65 Ca 1.02 -1.62 0.05 0.00 0.02 0.00 0.00 57.07 56.54 1vs7 s TYR 65 Cb -0.93 -2.17 0.03 0.00 -1.52 0.00 0.00 41.96 37.37 1vs7 s TYR 65 CO 0.57 -0.75 0.70 -2.00 0.02 0.00 0.00 175.55 174.09 1vs7 s GLU 66 N 1.33 2.59 -0.36 -0.62 2.12 -1.26 0.14 118.70 122.64 1vs7 s GLU 66 Ca -0.03 -1.09 -0.04 0.00 0.36 0.00 0.00 54.97 54.17 1vs7 s GLU 66 Cb -0.19 -2.61 0.23 0.00 0.26 0.00 0.00 34.13 31.82 1vs7 s GLU 66 CO 0.00 -0.58 1.10 1.51 -0.54 0.00 0.00 175.26 176.75 1vs7 n ILE 67 N -2.15 0.00 -0.13 -3.70 3.06 -1.08 -4.90 119.36 110.46 1vs7 n ILE 67 Ca 0.09 -0.44 -0.14 0.00 -2.50 0.00 0.00 62.75 59.76 1vs7 n ILE 67 Cb 0.60 0.80 0.13 0.00 0.54 0.00 0.00 39.64 41.71 1vs7 n ILE 67 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1vs7 n ARG 68 N 2.27 -3.03 -2.89 9.51 1.85 -1.26 -3.80 116.66 119.31 1vs7 n ARG 68 Ca 0.09 -0.66 -0.07 0.00 -1.00 0.00 0.00 57.85 56.21 1vs7 n ARG 68 Cb 0.66 -0.90 -0.01 0.00 -1.05 0.00 0.00 32.46 31.16 1vs7 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1vs7 s THR 69 N -1.49 -0.80 0.17 8.89 2.01 -0.80 -4.82 115.64 118.79 1vs7 s THR 69 Ca 0.30 -1.16 -0.31 0.00 0.31 0.00 0.00 61.69 60.83 1vs7 s THR 69 Cb -0.05 -0.19 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 1vs7 s THR 69 CO 0.25 -0.18 1.43 -1.00 -0.69 0.00 0.00 174.62 174.43 1vs7 s HIS 70 N 0.83 3.15 0.18 4.92 3.76 -0.64 -4.01 115.29 123.48 1vs7 s HIS 70 Ca 0.29 0.95 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 1vs7 s HIS 70 Cb -0.00 -3.76 -0.05 0.00 1.11 0.00 0.00 32.58 29.89 1vs7 s HIS 70 CO -0.07 -2.59 0.01 -0.48 -0.85 0.00 0.00 174.74 170.76 1vs7 s LEU 71 N 0.52 2.06 0.20 0.89 2.34 -1.26 -0.40 118.68 123.03 1vs7 s LEU 71 Ca 0.63 -1.19 -0.05 0.00 0.06 0.00 0.00 54.13 53.58 1vs7 s LEU 71 Cb -0.40 -0.04 -0.03 0.00 -0.56 0.00 0.00 46.19 45.16 1vs7 s LEU 71 CO 0.35 -0.59 0.23 -0.13 -1.06 0.00 0.00 176.35 175.15 1vs7 s ARG 72 N -3.93 1.26 0.19 1.48 1.81 0.05 -4.57 118.95 115.24 1vs7 s ARG 72 Ca 0.25 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 1vs7 s ARG 72 Cb 0.06 0.33 0.00 0.00 -0.45 0.00 0.00 34.95 34.89 1vs7 s ARG 72 CO 0.05 -0.45 0.00 -0.11 -0.68 0.00 0.00 175.30 174.11 1vs7 n LEU 73 N -0.28 0.44 0.00 2.53 -0.00 -0.86 -2.60 117.00 116.23 1vs7 n LEU 73 Ca -0.01 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1vs7 n LEU 73 Cb 0.64 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 1vs7 n LEU 73 CO 0.29 -0.75 0.00 0.52 -0.00 0.00 0.00 177.39 177.45 1vs7 n VAL 74 N -3.46 0.00 -2.92 1.96 0.31 -1.24 -4.06 118.33 108.93 1vs7 n VAL 74 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1vs7 n VAL 74 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1vs7 n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1vs7 n ASP 75 N 3.18 -7.44 -4.83 4.52 4.64 -1.26 -4.29 116.55 111.07 1vs7 n ASP 75 Ca 0.00 0.97 -0.35 0.00 -1.38 0.00 0.00 54.79 54.03 1vs7 n ASP 75 Cb 0.00 -3.90 -0.06 0.00 -1.04 0.00 0.00 41.12 36.12 1vs7 n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1vs7 s ILE 76 N -1.46 4.62 0.00 5.18 1.01 -1.25 -4.54 121.20 124.76 1vs7 s ILE 76 Ca 0.03 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1vs7 s ILE 76 Cb -0.01 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1vs7 s ILE 76 CO 0.51 0.12 0.00 0.52 0.00 0.00 0.00 174.94 176.10 1vs7 n VAL 77 N 0.49 0.00 -3.72 2.92 0.31 -1.26 -3.17 118.33 113.90 1vs7 n VAL 77 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.29 1vs7 n VAL 77 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1vs7 n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vs7 n GLU 78 N 0.00 -1.02 -1.67 5.55 4.71 -1.26 -4.82 120.64 122.14 1vs7 n GLU 78 Ca 0.00 -0.48 -0.34 0.00 -0.01 0.00 0.00 57.16 56.33 1vs7 n GLU 78 Cb 0.00 0.74 0.06 0.00 -1.01 0.00 0.00 31.44 31.23 1vs7 n GLU 78 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1vs7 s PRO 79 N -5.09 2.58 0.00 3.49 0.04 -1.26 -4.51 135.00 130.25 1vs7 s PRO 79 Ca 0.03 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1vs7 s PRO 79 Cb -0.02 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1vs7 s PRO 79 CO 0.05 -1.45 0.00 0.25 0.04 0.00 0.00 177.00 175.90 1vs7 n THR 80 N -2.46 0.00 0.77 1.26 -2.24 -1.26 -5.03 114.28 105.32 1vs7 n THR 80 Ca 0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1vs7 n THR 80 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1vs7 n THR 80 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vs7 n GLU 81 N 0.00 1.60 0.07 -0.78 -0.58 -1.26 -4.37 120.64 115.32 1vs7 n GLU 81 Ca 0.00 -0.50 0.11 0.00 -0.42 0.00 0.00 57.16 56.35 1vs7 n GLU 81 Cb 0.00 -1.30 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 1vs7 n GLU 81 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1vs7 n LYS 82 N -0.63 0.56 0.17 3.49 4.01 -1.26 -3.98 118.16 120.53 1vs7 n LYS 82 Ca 0.05 0.05 0.10 0.00 -0.51 0.00 0.00 58.31 58.01 1vs7 n LYS 82 Cb 0.32 -1.74 0.54 0.00 -0.51 0.00 0.00 35.03 33.63 1vs7 n LYS 82 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1vs7 h THR 83 N 0.00 0.00 -0.20 -0.18 2.02 -1.99 -1.42 112.91 111.14 1vs7 h THR 83 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1vs7 h THR 83 Cb 0.96 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1vs7 h THR 83 CO 0.00 0.00 0.36 0.58 0.37 0.00 0.00 175.52 176.83 1vs7 h VAL 84 N 0.00 0.22 0.00 3.16 2.07 -1.88 -2.72 116.25 117.09 1vs7 h VAL 84 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1vs7 h VAL 84 Cb 0.22 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1vs7 h VAL 84 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 1vs7 n ASP 85 N -3.36 0.38 -0.08 0.57 -0.08 -0.55 -2.82 116.55 110.60 1vs7 n ASP 85 Ca 0.02 0.12 -0.01 0.00 -1.51 0.00 0.00 54.79 53.41 1vs7 n ASP 85 Cb 0.47 -0.06 -0.00 0.00 2.34 0.00 0.00 41.12 43.86 1vs7 n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vs7 n ALA 86 N -2.99 -0.06 -0.03 -1.67 0.00 -1.11 0.58 120.51 115.21 1vs7 n ALA 86 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.64 1vs7 n ALA 86 Cb 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 1vs7 n ALA 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vs7 n LEU 87 N -4.28 0.00 0.00 0.00 7.99 -1.22 -4.36 117.00 115.12 1vs7 n LEU 87 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1vs7 n LEU 87 Cb 0.07 0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1vs7 n LEU 87 CO -0.03 0.15 0.00 0.80 -1.51 0.00 0.00 177.39 176.80 1vs7 n MET 88 N -2.25 0.00 0.11 3.23 1.56 0.38 -4.63 117.12 115.52 1vs7 n MET 88 Ca -0.12 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.19 1vs7 n MET 88 Cb 0.64 -0.17 -0.06 0.00 2.15 0.00 0.00 33.22 35.79 1vs7 n MET 88 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1vs7 h ARG 89 N 0.00 -0.44 -4.72 2.12 3.08 -1.13 -3.28 114.38 110.01 1vs7 h ARG 89 Ca 0.00 0.03 -0.58 0.00 0.07 0.00 0.00 59.98 59.50 1vs7 h ARG 89 Cb 0.00 0.10 0.03 0.00 0.08 0.00 0.00 29.97 30.18 1vs7 h ARG 89 CO 0.00 -0.29 2.03 1.28 -1.07 0.00 0.00 179.97 181.91 1vs7 n LEU 90 N -5.37 3.89 -4.08 3.04 4.77 0.19 -4.85 117.00 114.59 1vs7 n LEU 90 Ca -0.07 -2.98 -0.12 0.00 -0.03 0.00 0.00 56.01 52.81 1vs7 n LEU 90 Cb 0.28 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 39.99 1vs7 n LEU 90 CO 0.25 -0.68 -0.40 1.51 -1.33 0.00 0.00 177.39 176.75 1vs7 s ASP 91 N 5.31 0.91 -0.27 -1.43 -4.77 -1.24 -4.46 116.67 110.71 1vs7 s ASP 91 Ca 0.60 -0.65 -0.26 0.00 -3.30 0.00 0.00 52.55 48.94 1vs7 s ASP 91 Cb 0.11 0.05 0.13 0.00 -1.09 0.00 0.00 42.92 42.12 1vs7 s ASP 91 CO 0.12 -0.26 1.09 -1.48 0.70 0.00 0.00 175.17 175.34 1vs7 s LEU 92 N -1.89 -0.38 0.00 2.11 2.34 -1.26 -5.14 118.68 114.46 1vs7 s LEU 92 Ca -0.05 0.69 0.00 0.00 0.06 0.00 0.00 54.13 54.83 1vs7 s LEU 92 Cb -0.07 1.75 0.00 0.00 -0.56 0.00 0.00 46.19 47.32 1vs7 s LEU 92 CO -0.01 -0.15 0.00 0.00 -1.06 0.00 0.00 176.35 175.13 1vs7 n ALA 93 N 1.92 0.00 0.02 1.48 0.00 -1.26 -5.07 120.51 117.61 1vs7 n ALA 93 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1vs7 n ALA 93 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1vs7 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 n ALA 94 N 0.00 0.00 0.43 0.00 0.00 -1.26 -4.94 120.51 114.74 1vs7 n ALA 94 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1vs7 n ALA 94 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 1vs7 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs7 n GLY 95 N -1.40 -1.00 3.96 0.00 0.00 -1.26 -4.75 105.19 100.74 1vs7 n GLY 95 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1vs7 n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vs7 s VAL 96 N -3.07 2.13 -0.16 1.61 -7.23 -1.26 -4.00 120.40 108.42 1vs7 s VAL 96 Ca 0.06 -0.32 -0.06 0.00 -1.81 0.00 0.00 61.98 59.85 1vs7 s VAL 96 Cb 0.08 -2.82 0.07 0.00 0.56 0.00 0.00 36.38 34.28 1vs7 s VAL 96 CO 0.26 0.00 0.34 -0.62 -0.31 0.00 0.00 175.10 174.77 1vs7 s ASP 97 N -4.73 0.01 -0.43 4.85 2.15 -0.89 -4.88 116.67 112.74 1vs7 s ASP 97 Ca 0.67 0.77 0.02 0.00 0.43 0.00 0.00 52.55 54.45 1vs7 s ASP 97 Cb -0.06 0.95 0.12 0.00 -0.30 0.00 0.00 42.92 43.62 1vs7 s ASP 97 CO 0.47 -0.23 0.18 0.68 -0.17 0.00 0.00 175.17 176.10 1vs7 s VAL 98 N 2.35 2.68 -0.52 1.11 -7.23 -1.25 -1.39 120.40 116.14 1vs7 s VAL 98 Ca -0.01 -2.66 -0.02 0.00 -1.81 0.00 0.00 61.98 57.48 1vs7 s VAL 98 Cb -0.12 -2.89 0.31 0.00 0.56 0.00 0.00 36.38 34.25 1vs7 s VAL 98 CO -0.11 -0.70 2.09 0.00 -0.31 0.00 0.00 175.10 176.08 1vs7 n GLN 99 N 3.89 2.31 -1.08 4.82 6.02 -1.25 -4.87 117.38 127.21 1vs7 n GLN 99 Ca 0.04 -2.53 -0.37 0.00 -0.01 0.00 0.00 57.00 54.13 1vs7 n GLN 99 Cb 0.38 -2.00 0.04 0.00 1.02 0.00 0.00 30.24 29.68 1vs7 n GLN 99 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1vs7 n ILE 100 N -0.23 0.11 -3.43 5.09 -5.35 -1.26 -4.51 119.36 109.78 1vs7 n ILE 100 Ca 0.48 -0.48 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1vs7 n ILE 100 Cb 0.59 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1vs7 n ILE 100 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1vs7 n SER 101 N 2.73 -0.12 0.00 7.28 3.41 0.14 -4.93 113.62 122.13 1vs7 n SER 101 Ca 0.02 -1.06 0.08 0.00 -0.26 0.00 0.00 58.87 57.65 1vs7 n SER 101 Cb 0.53 0.19 0.50 0.00 -0.26 0.00 0.00 64.21 65.17 1vs7 n SER 101 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06