#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om2 s ALA 2 N 0.00 -0.30 0.20 2.89 0.00 -1.26 -5.20 121.76 118.10 1om2 s ALA 2 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1om2 s ALA 2 Cb 0.00 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1om2 s ALA 2 CO 0.00 -0.92 0.29 0.20 0.00 0.00 0.00 175.76 175.33 1om2 s GLY 3 N -3.10 0.79 0.07 0.00 0.00 -1.26 -5.19 107.32 98.64 1om2 s GLY 3 Ca 0.20 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 43.55 1om2 s GLY 3 CO 0.13 -0.95 0.56 -2.27 0.00 0.00 0.00 173.10 170.57 1om2 s LEU 4 N -3.04 -0.28 0.00 0.66 0.20 -1.26 -5.04 118.68 109.92 1om2 s LEU 4 Ca 0.25 0.18 -0.00 0.00 0.69 0.00 0.00 54.13 55.25 1om2 s LEU 4 Cb 0.03 2.31 0.00 0.00 -0.43 0.00 0.00 46.19 48.10 1om2 s LEU 4 CO 0.06 -0.78 0.00 -0.24 -0.29 0.00 0.00 176.35 175.10 1om2 n SER 5 N 0.22 -0.00 -4.70 3.68 2.88 -1.26 -5.08 113.62 109.35 1om2 n SER 5 Ca -0.18 -1.00 -0.42 0.00 -1.33 0.00 0.00 58.87 55.94 1om2 n SER 5 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 1om2 n SER 5 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1om2 s LYS 6 N -2.00 4.29 -0.77 -1.46 1.02 -1.26 -3.87 119.74 115.68 1om2 s LYS 6 Ca 0.00 2.05 -0.01 0.00 0.02 0.00 0.00 55.97 58.03 1om2 s LYS 6 Cb -0.00 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1om2 s LYS 6 CO 0.00 -0.53 0.65 1.28 -0.92 0.00 0.00 175.35 175.83 1om2 n LEU 7 N 4.80 -4.35 0.00 3.17 4.77 -1.26 -5.01 117.00 119.11 1om2 n LEU 7 Ca 0.13 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1om2 n LEU 7 Cb 0.43 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 1om2 n LEU 7 CO 0.59 -0.39 0.00 -0.81 -1.33 0.00 0.00 177.39 175.45 1om2 n PRO 8 N -2.14 0.00 0.18 3.23 -0.04 -1.25 -4.71 135.00 130.28 1om2 n PRO 8 Ca -0.16 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1om2 n PRO 8 Cb 0.60 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.17 1om2 n PRO 8 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1om2 h ASP 9 N 0.00 0.00 0.00 3.54 3.58 -1.95 -3.48 116.42 118.12 1om2 h ASP 9 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1om2 h ASP 9 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1om2 h ASP 9 CO 0.00 0.14 0.00 0.18 -2.88 0.00 0.00 179.24 176.68 1om2 n LEU 10 N -3.08 0.00 0.14 2.28 4.77 -1.26 -4.74 117.00 115.11 1om2 n LEU 10 Ca 0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1om2 n LEU 10 Cb 0.59 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 42.07 1om2 n LEU 10 CO 0.36 0.00 0.86 0.11 -1.33 0.00 0.00 177.39 177.40 1om2 h LYS 11 N 0.26 0.19 -6.69 3.23 1.79 -2.00 -3.44 116.57 109.89 1om2 h LYS 11 Ca 0.00 -0.05 -0.50 0.00 -2.18 0.00 0.00 60.65 57.92 1om2 h LYS 11 Cb 0.00 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1om2 h LYS 11 CO 0.00 0.37 0.37 -0.51 -1.08 0.00 0.00 179.45 178.60 1om2 s ASP 12 N -6.90 7.55 0.13 0.86 1.11 -1.26 -4.96 116.67 113.20 1om2 s ASP 12 Ca -0.05 1.93 -0.10 0.00 0.18 0.00 0.00 52.55 54.51 1om2 s ASP 12 Cb 0.15 -2.60 -0.08 0.00 1.07 0.00 0.00 42.92 41.46 1om2 s ASP 12 CO 0.73 0.05 1.38 0.00 1.18 0.00 0.00 175.17 178.51 1om2 h ALA 13 N 4.63 0.44 -0.36 5.23 0.00 -1.98 -2.08 119.26 125.13 1om2 h ALA 13 Ca -0.44 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1om2 h ALA 13 Cb 1.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1om2 h ALA 13 CO 0.69 0.69 0.24 1.49 0.00 0.00 0.00 179.25 182.36 1om2 h GLU 14 N 0.58 0.48 -0.49 0.00 4.22 -1.98 0.20 114.58 117.59 1om2 h GLU 14 Ca -0.01 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.29 1om2 h GLU 14 Cb 1.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1om2 h GLU 14 CO 0.14 0.32 -0.12 0.00 -2.18 0.00 0.00 179.01 177.17 1om2 h ALA 15 N 1.13 0.87 -0.29 2.92 0.00 -1.95 0.33 119.26 122.26 1om2 h ALA 15 Ca 0.13 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1om2 h ALA 15 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1om2 h ALA 15 CO -0.03 0.64 -0.40 0.28 0.00 0.00 0.00 179.25 179.74 1om2 h VAL 16 N 0.82 1.29 -0.40 0.00 2.07 -1.08 -0.82 116.25 118.12 1om2 h VAL 16 Ca 0.13 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 1om2 h VAL 16 Cb 0.65 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1om2 h VAL 16 CO 0.05 0.51 -0.14 -0.61 0.02 0.00 0.00 177.57 177.39 1om2 h GLN 17 N 0.57 0.80 0.40 1.57 5.75 -0.28 0.87 115.11 124.80 1om2 h GLN 17 Ca 0.05 -0.33 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1om2 h GLN 17 Cb 0.94 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1om2 h GLN 17 CO 0.09 0.95 -0.19 0.87 -2.65 0.00 0.00 178.83 177.90 1om2 h LYS 18 N 0.61 -0.51 -0.49 1.69 1.79 -0.72 -0.64 116.57 118.30 1om2 h LYS 18 Ca 0.10 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1om2 h LYS 18 Cb 0.68 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1om2 h LYS 18 CO 0.05 -0.31 0.25 0.35 -1.08 0.00 0.00 179.45 178.71 1om2 h PHE 19 N -0.60 0.70 -0.24 -1.35 3.04 -1.17 0.83 116.94 118.15 1om2 h PHE 19 Ca -0.05 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.91 1om2 h PHE 19 Cb 0.45 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 1om2 h PHE 19 CO -0.03 0.54 -0.04 0.35 -2.02 0.00 0.00 178.31 177.11 1om2 h PHE 20 N 0.65 -0.08 -0.81 0.41 3.57 -0.71 0.49 116.94 120.46 1om2 h PHE 20 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1om2 h PHE 20 Cb 0.09 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1om2 h PHE 20 CO -0.01 -0.08 0.34 -0.07 -2.23 0.00 0.00 178.31 176.26 1om2 h LEU 21 N 0.03 1.11 -2.00 0.59 3.38 -0.92 0.23 115.31 117.72 1om2 h LEU 21 Ca 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1om2 h LEU 21 Cb 0.17 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1om2 h LEU 21 CO -0.23 0.97 0.03 -0.08 0.09 0.00 0.00 178.44 179.23 1om2 h GLU 22 N 1.18 0.00 0.05 1.13 4.81 0.39 -0.46 114.58 121.67 1om2 h GLU 22 Ca 0.27 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1om2 h GLU 22 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1om2 h GLU 22 CO -0.02 0.00 -0.02 1.49 -0.73 0.00 0.00 179.01 179.72 1om2 h GLU 23 N 0.00 -0.06 -0.92 1.92 4.81 0.14 -0.01 114.58 120.46 1om2 h GLU 23 Ca 0.02 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1om2 h GLU 23 Cb 0.09 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.34 1om2 h GLU 23 CO -0.00 0.43 -0.39 -0.89 -0.73 0.00 0.00 179.01 177.44 1om2 n ILE 24 N -4.76 -0.51 -0.02 2.32 5.41 -0.04 -0.82 119.36 120.95 1om2 n ILE 24 Ca -0.06 2.17 -0.16 0.00 1.00 0.00 0.00 62.75 65.70 1om2 n ILE 24 Cb 0.26 -2.84 -0.10 0.00 -0.71 0.00 0.00 39.64 36.25 1om2 n ILE 24 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1om2 h GLN 25 N 0.00 0.39 0.02 0.38 4.20 -1.18 -2.35 115.11 116.57 1om2 h GLN 25 Ca 0.30 -0.35 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1om2 h GLN 25 Cb 0.53 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1om2 h GLN 25 CO -0.91 1.00 -0.28 1.25 -0.67 0.00 0.00 178.83 179.23 1om2 h LEU 26 N -0.11 -0.82 0.93 1.46 7.12 -0.05 0.75 115.31 124.59 1om2 h LEU 26 Ca -0.04 0.11 -0.05 0.00 0.13 0.00 0.00 57.88 58.03 1om2 h LEU 26 Cb 1.12 0.33 0.01 0.00 -0.53 0.00 0.00 40.66 41.58 1om2 h LEU 26 CO 0.09 -0.35 -0.45 1.23 -0.13 0.00 0.00 178.44 178.83 1om2 h GLY 27 N -0.44 -1.30 -1.00 3.75 0.00 -1.10 -1.40 103.07 101.59 1om2 h GLY 27 Ca 0.06 0.48 0.28 0.00 0.00 0.00 0.00 47.33 48.15 1om2 h GLY 27 CO -0.22 -0.47 0.04 -2.21 0.00 0.00 0.00 176.54 173.68 1om2 n GLU 28 N -5.46 -0.08 -0.05 4.80 2.13 -0.88 -0.37 120.64 120.73 1om2 n GLU 28 Ca -0.16 1.49 -0.11 0.00 0.66 0.00 0.00 57.16 59.04 1om2 n GLU 28 Cb 0.49 -2.37 -0.04 0.00 0.27 0.00 0.00 31.44 29.79 1om2 n GLU 28 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1om2 h GLU 29 N 0.00 0.28 -0.36 5.31 4.57 -0.54 0.26 114.58 124.10 1om2 h GLU 29 Ca 0.61 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.70 1om2 h GLU 29 Cb 1.29 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1om2 h GLU 29 CO -0.93 0.33 0.03 -0.07 -1.18 0.00 0.00 179.01 177.19 1om2 h LEU 30 N 0.17 0.51 -1.05 1.64 3.38 0.42 -0.67 115.31 119.72 1om2 h LEU 30 Ca 0.07 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1om2 h LEU 30 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1om2 h LEU 30 CO -0.01 0.56 -0.28 -0.07 0.09 0.00 0.00 178.44 178.73 1om2 h LEU 31 N 0.53 0.33 -2.43 1.67 4.07 -0.56 0.17 115.31 119.09 1om2 h LEU 31 Ca 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1om2 h LEU 31 Cb 0.29 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1om2 h LEU 31 CO 0.01 0.61 0.06 0.00 -1.08 0.00 0.00 178.44 178.04 1om2 h ALA 32 N 1.41 1.57 0.09 1.53 0.00 0.11 0.29 119.26 124.25 1om2 h ALA 32 Ca 0.04 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 1om2 h ALA 32 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1om2 h ALA 32 CO 0.05 -0.09 -1.74 0.37 0.00 0.00 0.00 179.25 177.85 1om2 h GLN 33 N 0.00 0.19 0.00 0.00 4.15 -0.38 -3.49 115.11 115.58 1om2 h GLN 33 Ca 0.02 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1om2 h GLN 33 Cb 0.14 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1om2 h GLN 33 CO -0.00 0.98 0.00 0.41 -1.93 0.00 0.00 178.83 178.29 1om2 n GLY 34 N 1.75 0.66 1.89 2.39 0.00 0.37 -5.06 105.19 107.18 1om2 n GLY 34 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1om2 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1om2 n ASP 35 N 0.00 5.29 -0.34 1.61 -0.08 -0.05 -4.64 116.55 118.35 1om2 n ASP 35 Ca 0.00 -2.48 0.19 0.00 -1.51 0.00 0.00 54.79 50.99 1om2 n ASP 35 Cb 0.00 -1.35 0.42 0.00 2.34 0.00 0.00 41.12 42.53 1om2 n ASP 35 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1om2 h TYR 36 N 2.53 0.90 -0.61 -0.67 0.05 -1.87 0.63 116.97 117.93 1om2 h TYR 36 Ca 0.15 0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.01 1om2 h TYR 36 Cb 1.38 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.81 1om2 h TYR 36 CO 1.42 0.07 0.34 0.93 -1.05 0.00 0.00 178.16 179.87 1om2 h GLU 37 N 0.53 0.62 -0.08 4.88 4.39 -2.00 -0.37 114.58 122.54 1om2 h GLU 37 Ca 0.63 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 60.11 1om2 h GLU 37 Cb 1.30 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1om2 h GLU 37 CO -0.41 0.41 -0.71 0.87 -1.16 0.00 0.00 179.01 178.01 1om2 h LYS 38 N 0.64 0.40 -0.86 2.33 1.79 -1.36 -3.20 116.57 116.31 1om2 h LYS 38 Ca 0.27 -0.32 0.20 0.00 -2.18 0.00 0.00 60.65 58.62 1om2 h LYS 38 Cb 0.15 0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 30.74 1om2 h LYS 38 CO -0.16 0.96 0.36 0.78 -1.08 0.00 0.00 179.45 180.30 1om2 h GLY 39 N 1.28 1.42 1.01 3.86 0.00 0.66 0.19 103.07 111.48 1om2 h GLY 39 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1om2 h GLY 39 CO 0.12 -0.23 0.45 -2.08 0.00 0.00 0.00 176.54 174.81 1om2 h VAL 40 N 0.40 1.19 -0.02 4.60 2.07 -1.33 0.34 116.25 123.51 1om2 h VAL 40 Ca 0.52 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1om2 h VAL 40 Cb 0.94 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1om2 h VAL 40 CO -0.51 0.19 -0.01 -0.78 0.02 0.00 0.00 177.57 176.48 1om2 h ASP 41 N 0.96 0.04 -0.54 0.57 3.58 -1.17 -1.42 116.42 118.45 1om2 h ASP 41 Ca 0.26 -0.46 0.09 0.00 0.42 0.00 0.00 57.03 57.34 1om2 h ASP 41 Cb -0.07 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 40.89 1om2 h ASP 41 CO -0.05 0.49 0.14 1.12 -2.88 0.00 0.00 179.24 178.06 1om2 h HIS 42 N -0.41 0.24 -0.24 0.28 2.07 -0.56 -0.14 115.15 116.39 1om2 h HIS 42 Ca 0.00 0.03 -0.18 0.00 -2.85 0.00 0.00 60.37 57.37 1om2 h HIS 42 Cb 0.48 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.44 1om2 h HIS 42 CO 0.08 0.02 -0.57 1.25 -3.07 0.00 0.00 177.93 175.65 1om2 h LEU 43 N 0.29 0.92 -1.30 6.12 5.85 -0.94 -1.64 115.31 124.62 1om2 h LEU 43 Ca 0.27 -0.56 0.18 0.00 0.84 0.00 0.00 57.88 58.62 1om2 h LEU 43 Cb 0.36 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 1om2 h LEU 43 CO -0.33 1.31 0.60 0.74 -0.34 0.00 0.00 178.44 180.42 1om2 h THR 44 N 0.57 0.73 -0.28 1.05 2.02 -0.15 0.11 112.91 116.96 1om2 h THR 44 Ca -0.00 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1om2 h THR 44 Cb 1.18 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1om2 h THR 44 CO 0.12 0.11 -0.30 0.78 0.37 0.00 0.00 175.52 176.60 1om2 h ASN 45 N 0.60 0.75 -0.89 4.18 2.35 -0.68 -1.32 115.58 120.58 1om2 h ASN 45 Ca 0.50 -0.48 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1om2 h ASN 45 Cb 0.96 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.06 1om2 h ASN 45 CO -0.24 1.08 0.56 0.00 -1.65 0.00 0.00 177.43 177.17 1om2 h ALA 46 N 0.70 1.23 -0.43 -0.83 0.00 0.10 0.72 119.26 120.75 1om2 h ALA 46 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1om2 h ALA 46 Cb 0.87 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1om2 h ALA 46 CO 0.07 0.30 0.02 0.82 0.00 0.00 0.00 179.25 180.47 1om2 h ILE 47 N 1.00 1.22 -0.26 0.00 5.03 -0.88 -0.22 117.51 123.41 1om2 h ILE 47 Ca 0.39 -0.88 -0.02 0.00 -0.12 0.00 0.00 64.86 64.23 1om2 h ILE 47 Cb 0.19 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 34.83 1om2 h ILE 47 CO -0.18 0.31 0.07 0.00 -0.68 0.00 0.00 178.15 177.67 1om2 h ALA 48 N 1.38 1.64 0.00 1.87 0.00 0.31 0.57 119.26 125.02 1om2 h ALA 48 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1om2 h ALA 48 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1om2 h ALA 48 CO 0.01 0.28 -1.59 1.33 0.00 0.00 0.00 179.25 179.28 1om2 n VAL 49 N -4.40 0.03 -0.07 0.00 0.24 -0.79 -4.46 118.33 108.88 1om2 n VAL 49 Ca 0.01 -0.32 -0.18 0.00 -2.04 0.00 0.00 64.34 61.80 1om2 n VAL 49 Cb 0.15 0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 32.72 1om2 n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1om2 n GLY 51 N 1.55 0.49 2.30 0.00 0.00 0.16 -4.89 105.19 104.79 1om2 n GLY 51 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1om2 n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1om2 n GLN 52 N -2.06 1.28 -0.04 1.61 -0.06 -1.26 -5.00 117.38 111.84 1om2 n GLN 52 Ca 0.00 -3.60 -0.10 0.00 -2.00 0.00 0.00 57.00 51.30 1om2 n GLN 52 Cb 0.08 -1.66 -0.03 0.00 -4.06 0.00 0.00 30.24 24.57 1om2 n GLN 52 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1om2 h PRO 53 N 3.39 -0.33 -0.93 3.69 0.13 -1.90 -2.48 132.00 133.57 1om2 h PRO 53 Ca 0.10 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.39 1om2 h PRO 53 Cb 0.86 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 31.98 1om2 h PRO 53 CO 0.55 -0.22 0.55 1.96 -0.23 0.00 0.00 178.00 180.61 1om2 h GLN 54 N -0.34 0.81 -0.28 0.86 4.20 -1.98 0.25 115.11 118.62 1om2 h GLN 54 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1om2 h GLN 54 Cb 0.54 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1om2 h GLN 54 CO -0.41 0.53 0.15 0.37 -0.67 0.00 0.00 178.83 178.80 1om2 h GLN 55 N 0.83 0.39 -0.81 1.46 5.75 -1.89 -1.28 115.11 119.56 1om2 h GLN 55 Ca 0.48 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.90 1om2 h GLN 55 Cb 0.56 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1om2 h GLN 55 CO -0.30 0.35 0.38 1.25 -2.65 0.00 0.00 178.83 177.86 1om2 h LEU 56 N 0.33 1.07 -0.46 -2.39 5.85 -0.81 -1.39 115.31 117.52 1om2 h LEU 56 Ca 0.10 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1om2 h LEU 56 Cb 0.07 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1om2 h LEU 56 CO -0.02 0.92 0.29 -0.07 -0.34 0.00 0.00 178.44 179.22 1om2 h LEU 57 N 1.16 0.55 -0.60 2.25 3.38 -0.02 0.20 115.31 122.23 1om2 h LEU 57 Ca 0.28 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1om2 h LEU 57 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1om2 h LEU 57 CO -0.03 0.43 0.09 0.06 0.09 0.00 0.00 178.44 179.08 1om2 h GLN 58 N 0.62 1.00 -0.02 1.13 -0.00 -1.07 -1.47 115.11 115.29 1om2 h GLN 58 Ca 0.17 -0.27 -0.01 0.00 -0.00 0.00 0.00 58.65 58.54 1om2 h GLN 58 Cb -0.02 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.34 1om2 h GLN 58 CO -0.03 0.94 -0.01 -0.24 -0.00 0.00 0.00 178.83 179.48 1om2 h VAL 59 N 0.90 1.03 0.14 1.86 3.04 -0.57 -0.58 116.25 122.07 1om2 h VAL 59 Ca 0.18 -0.11 -0.30 0.00 -1.01 0.00 0.00 66.70 65.46 1om2 h VAL 59 Cb 0.43 1.03 0.03 0.00 -2.01 0.00 0.00 31.29 30.77 1om2 h VAL 59 CO 0.01 0.04 -1.26 -0.07 -1.01 0.00 0.00 177.57 175.28 1om2 h LEU 60 N 0.03 0.86 -1.51 3.16 -0.00 -0.20 -3.03 115.31 114.61 1om2 h LEU 60 Ca 0.01 -0.85 -0.05 0.00 -0.00 0.00 0.00 57.88 56.99 1om2 h LEU 60 Cb 0.05 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.43 1om2 h LEU 60 CO 0.00 1.62 -0.25 -0.61 -0.00 0.00 0.00 178.44 179.20 1om2 h GLN 61 N 0.22 0.00 -0.24 1.13 5.75 -0.46 -1.32 115.11 120.19 1om2 h GLN 61 Ca -0.20 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.11 1om2 h GLN 61 Cb 1.94 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.49 1om2 h GLN 61 CO 0.24 0.25 -0.58 1.96 -2.65 0.00 0.00 178.83 178.05 1om2 h GLN 62 N 0.00 0.82 0.19 1.69 1.08 -1.14 -3.32 115.11 114.43 1om2 h GLN 62 Ca -0.00 -0.56 -0.27 0.00 -1.45 0.00 0.00 58.65 56.37 1om2 h GLN 62 Cb 0.51 0.08 0.03 0.00 -0.05 0.00 0.00 27.48 28.05 1om2 h GLN 62 CO 0.03 1.19 -1.17 0.00 -0.95 0.00 0.00 178.83 177.93 1om2 h THR 63 N 0.58 1.38 -1.63 -0.54 1.03 -1.37 -3.48 112.91 108.87 1om2 h THR 63 Ca -0.00 -2.59 0.06 0.00 -0.01 0.00 0.00 66.41 63.86 1om2 h THR 63 Cb 1.20 3.06 -0.23 0.00 -1.07 0.00 0.00 68.15 71.11 1om2 h THR 63 CO 0.13 0.76 0.47 -1.48 -0.01 0.00 0.00 175.52 175.39 1om2 s LEU 64 N -7.76 -0.43 -0.14 0.00 2.34 -0.52 -5.12 118.68 107.04 1om2 s LEU 64 Ca -0.11 0.57 -0.29 0.00 0.06 0.00 0.00 54.13 54.36 1om2 s LEU 64 Cb 0.03 1.97 -0.05 0.00 -0.56 0.00 0.00 46.19 47.58 1om2 s LEU 64 CO 0.90 -0.33 1.86 -2.16 -1.06 0.00 0.00 176.35 175.55 1om2 s PRO 65 N -0.80 3.74 -0.46 1.48 0.04 -1.26 -4.06 135.00 133.68 1om2 s PRO 65 Ca -0.02 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 1om2 s PRO 65 Cb -0.01 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 30.40 1om2 s PRO 65 CO 0.01 -1.38 0.80 -1.25 0.04 0.00 0.00 177.00 175.22 1om2 s PRO 66 N 4.99 3.40 0.17 0.56 0.04 -1.26 -4.92 135.00 137.98 1om2 s PRO 66 Ca 0.83 -0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.73 1om2 s PRO 66 Cb -0.32 -3.95 0.03 0.00 0.04 0.00 0.00 34.50 30.30 1om2 s PRO 66 CO 0.34 -1.15 1.41 -1.00 0.04 0.00 0.00 177.00 176.64 1om2 h PRO 67 N 9.01 0.41 -0.26 0.56 0.13 -2.02 -3.22 132.00 136.61 1om2 h PRO 67 Ca -0.25 -0.35 0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1om2 h PRO 67 Cb 1.08 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1om2 h PRO 67 CO 0.97 0.99 -0.02 0.28 -0.23 0.00 0.00 178.00 180.00 1om2 h VAL 68 N 0.27 0.79 -0.80 1.56 2.07 -1.98 -2.04 116.25 116.12 1om2 h VAL 68 Ca -0.04 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.65 1om2 h VAL 68 Cb 1.35 0.74 -0.14 0.00 -1.52 0.00 0.00 31.29 31.72 1om2 h VAL 68 CO 0.13 0.01 0.05 0.15 0.02 0.00 0.00 177.57 177.93 1om2 h PHE 69 N 0.05 0.02 -0.38 1.57 3.57 -1.97 0.26 116.94 120.05 1om2 h PHE 69 Ca 0.12 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1om2 h PHE 69 Cb 0.17 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1om2 h PHE 69 CO -0.22 -0.25 0.23 0.37 -2.23 0.00 0.00 178.31 176.21 1om2 h GLN 70 N 0.12 0.51 0.08 1.11 5.75 -1.45 0.07 115.11 121.30 1om2 h GLN 70 Ca 0.45 -0.04 -0.25 0.00 -0.15 0.00 0.00 58.65 58.66 1om2 h GLN 70 Cb 0.83 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1om2 h GLN 70 CO -0.69 0.36 -1.13 0.52 -2.65 0.00 0.00 178.83 175.24 1om2 h MET 71 N 0.52 0.29 -0.60 1.69 2.86 -0.57 -2.74 114.93 116.38 1om2 h MET 71 Ca 0.14 -0.42 0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1om2 h MET 71 Cb -0.03 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1om2 h MET 71 CO -0.03 1.16 0.37 1.25 1.06 0.00 0.00 176.91 180.72 1om2 h LEU 72 N 0.11 0.60 -1.64 1.22 5.85 0.55 0.21 115.31 122.22 1om2 h LEU 72 Ca -0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1om2 h LEU 72 Cb 1.82 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 1om2 h LEU 72 CO 0.18 0.42 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.56 1om2 h LEU 73 N 0.73 0.00 0.00 2.25 3.38 -1.00 -2.59 115.31 118.08 1om2 h LEU 73 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1om2 h LEU 73 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1om2 h LEU 73 CO -0.10 0.07 -1.48 1.07 0.09 0.00 0.00 178.44 178.09 1om2 n THR 74 N -3.25 0.70 -0.02 0.22 5.66 -0.57 -4.13 114.28 112.88 1om2 n THR 74 Ca -0.00 -0.60 -0.17 0.00 -3.05 0.00 0.00 64.05 60.22 1om2 n THR 74 Cb 0.30 -0.39 -0.08 0.00 -1.55 0.00 0.00 70.33 68.61 1om2 n THR 74 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1om2 h LYS 75 N 0.00 0.63 0.04 1.09 1.63 -0.32 -3.36 116.57 116.28 1om2 h LYS 75 Ca -0.09 -0.54 0.01 0.00 -0.85 0.00 0.00 60.65 59.18 1om2 h LYS 75 Cb 1.27 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.99 1om2 h LYS 75 CO 0.02 1.16 -0.33 -0.07 -3.45 0.00 0.00 179.45 176.78 1om2 h LEU 76 N 0.28 -1.00 0.00 5.20 3.38 -1.63 -3.44 115.31 118.11 1om2 h LEU 76 Ca -0.05 0.11 -0.44 0.00 0.09 0.00 0.00 57.88 57.59 1om2 h LEU 76 Cb 1.30 0.37 0.18 0.00 0.09 0.00 0.00 40.66 42.61 1om2 h LEU 76 CO 0.14 -0.33 0.40 -0.81 0.09 0.00 0.00 178.44 177.92 1om2 n PRO 77 N -4.31 -1.52 0.02 1.13 -0.04 -1.26 -5.03 135.00 123.99 1om2 n PRO 77 Ca -0.05 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1om2 n PRO 77 Cb 0.25 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1om2 n PRO 77 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1om2 n THR 78 N -3.99 0.00 -0.06 0.52 -1.04 -1.26 -4.86 114.28 103.59 1om2 n THR 78 Ca 0.17 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.08 1om2 n THR 78 Cb 0.59 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.86 1om2 n THR 78 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1om2 h ILE 79 N 0.00 1.07 -0.52 12.58 5.03 -1.99 -2.38 117.51 131.30 1om2 h ILE 79 Ca 0.00 -0.15 0.10 0.00 -0.12 0.00 0.00 64.86 64.69 1om2 h ILE 79 Cb 0.00 0.73 -0.09 0.00 -3.03 0.00 0.00 36.82 34.43 1om2 h ILE 79 CO 0.00 0.07 -0.04 0.28 -0.68 0.00 0.00 178.15 177.79 1om2 h SER 80 N 0.33 -0.30 -0.75 1.72 0.02 -2.00 -0.01 113.55 112.56 1om2 h SER 80 Ca 0.09 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1om2 h SER 80 Cb -0.02 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 1om2 h SER 80 CO -0.02 -0.11 0.43 -0.61 -1.14 0.00 0.00 176.83 175.38 1om2 h GLN 81 N 0.08 0.73 -0.58 3.45 -0.00 -1.81 -2.08 115.11 114.90 1om2 h GLN 81 Ca 0.26 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.82 1om2 h GLN 81 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 1om2 h GLN 81 CO -0.47 0.49 0.18 -0.09 0.00 0.00 0.00 178.83 178.94 1om2 h ARG 82 N 0.76 0.90 0.20 1.69 1.12 -0.55 -1.08 114.38 117.41 1om2 h ARG 82 Ca 0.35 -0.19 -0.01 0.00 -1.11 0.00 0.00 59.98 59.01 1om2 h ARG 82 Cb 0.25 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.09 1om2 h ARG 82 CO -0.21 0.81 -0.10 0.82 -3.11 0.00 0.00 179.97 178.19 1om2 h ILE 83 N 0.81 0.84 -0.83 1.20 1.08 -0.65 -2.78 117.51 117.19 1om2 h ILE 83 Ca 0.19 -0.19 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 1om2 h ILE 83 Cb 0.29 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 34.93 1om2 h ILE 83 CO -0.01 0.04 0.48 0.58 -0.69 0.00 0.00 178.15 178.56 1om2 h VAL 84 N -0.36 0.90 0.00 1.67 2.07 -1.33 0.12 116.25 119.32 1om2 h VAL 84 Ca -0.03 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1om2 h VAL 84 Cb 0.28 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1om2 h VAL 84 CO 0.04 0.14 -0.14 -1.20 0.02 0.00 0.00 177.57 176.44 1om2 n SER 85 N -4.74 4.63 0.00 0.57 7.64 -0.42 -3.25 113.62 118.04 1om2 n SER 85 Ca 0.14 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1om2 n SER 85 Cb 0.29 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1om2 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1om2 n ALA 86 N 2.07 0.00 -1.30 -0.43 0.00 -0.91 -4.95 120.51 114.99 1om2 n ALA 86 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.26 1om2 n ALA 86 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 1om2 n ALA 86 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1om2 n GLN 87 N -1.64 3.05 0.00 0.00 7.27 0.39 -1.44 117.38 125.01 1om2 n GLN 87 Ca 0.00 -2.14 0.00 0.00 0.07 0.00 0.00 57.00 54.93 1om2 n GLN 87 Cb 0.00 -2.86 0.00 0.00 2.41 0.00 0.00 30.24 29.79 1om2 n GLN 87 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1om2 n SER 88 N 4.59 0.00 -1.97 1.69 7.64 -1.26 -4.84 113.62 119.47 1om2 n SER 88 Ca 0.64 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 60.32 1om2 n SER 88 Cb 0.26 0.02 0.09 0.00 -1.01 0.00 0.00 64.21 63.57 1om2 n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1om2 n LEU 89 N -1.07 6.34 -3.60 -3.43 -0.00 -0.52 -4.87 117.00 109.85 1om2 n LEU 89 Ca 0.00 -3.36 -0.04 0.00 -0.00 0.00 0.00 56.01 52.61 1om2 n LEU 89 Cb 0.00 -0.90 -0.02 0.00 -0.00 0.00 0.00 43.42 42.50 1om2 n LEU 89 CO 0.00 1.12 1.03 -0.83 -0.00 0.00 0.00 177.39 178.71 1om2 s GLY 90 N -0.60 -0.29 0.21 1.47 0.00 -1.18 -5.00 107.32 101.92 1om2 s GLY 90 Ca 0.42 1.60 0.07 0.00 0.00 0.00 0.00 44.72 46.81 1om2 s GLY 90 CO 0.03 0.53 0.08 1.85 0.00 0.00 0.00 173.10 175.59 1om2 s GLU 91 N -2.38 2.63 -0.45 2.90 2.56 -1.26 -4.86 118.70 117.84 1om2 s GLU 91 Ca 0.10 -1.09 0.07 0.00 0.00 0.00 0.00 54.97 54.05 1om2 s GLU 91 Cb -0.01 -2.44 0.30 0.00 2.00 0.00 0.00 34.13 33.98 1om2 s GLU 91 CO -0.04 0.43 0.98 -3.47 -0.56 0.00 0.00 175.26 172.60 1om2 n ASP 92 N -0.55 -1.92 -3.69 -1.70 2.03 -1.26 -5.05 116.55 104.40 1om2 n ASP 92 Ca -0.08 -3.47 -0.42 0.00 0.52 0.00 0.00 54.79 51.33 1om2 n ASP 92 Cb 0.56 1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 42.38 1om2 n ASP 92 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1om2 n ASP 93 N 0.71 3.39 -4.39 1.67 2.03 -1.26 -4.89 116.55 113.81 1om2 n ASP 93 Ca 0.10 -2.78 -0.38 0.00 0.52 0.00 0.00 54.79 52.25 1om2 n ASP 93 Cb 0.67 -1.45 -0.12 0.00 -0.72 0.00 0.00 41.12 39.50 1om2 n ASP 93 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1om2 s VAL 94 N 3.87 4.29 0.00 5.18 1.01 -1.26 -5.38 120.40 128.11 1om2 s VAL 94 Ca 0.51 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1om2 s VAL 94 Cb 0.14 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1om2 s VAL 94 CO -0.01 0.05 0.00 1.21 0.00 0.00 0.00 175.10 176.35