#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 0.79 0.31 7.54 0.00 -1.26 -5.10 121.76 124.04 1om2 s ALA 2 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 1om2 s ALA 2 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 1om2 s ALA 2 CO 0.00 -3.19 0.39 0.20 0.00 0.00 0.00 175.76 173.16 1om2 s GLY 3 N -3.69 1.49 0.40 0.00 0.00 -1.26 -5.11 107.32 99.15 1om2 s GLY 3 Ca 0.68 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1om2 s GLY 3 CO 0.57 -1.08 0.00 -0.10 0.00 0.00 0.00 173.10 172.48 1om2 n LEU 4 N -0.51 -3.21 0.00 0.66 -0.00 -1.26 -5.18 117.00 107.51 1om2 n LEU 4 Ca 0.02 0.75 0.05 0.00 -0.00 0.00 0.00 56.01 56.83 1om2 n LEU 4 Cb 0.62 3.06 -0.01 0.00 -0.00 0.00 0.00 43.42 47.09 1om2 n LEU 4 CO 0.30 0.06 -0.07 -1.20 -0.00 0.00 0.00 177.39 176.48 1om2 n SER 5 N -3.35 -5.15 -3.20 1.96 7.64 -1.26 -5.00 113.62 105.26 1om2 n SER 5 Ca 0.00 0.38 -0.06 0.00 1.01 0.00 0.00 58.87 60.21 1om2 n SER 5 Cb 0.00 -1.08 0.01 0.00 -1.01 0.00 0.00 64.21 62.13 1om2 n SER 5 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1om2 n LYS 6 N -2.14 -1.43 -3.60 1.43 4.01 -1.26 -3.78 118.16 111.40 1om2 n LYS 6 Ca 0.00 1.31 -0.28 0.00 -0.51 0.00 0.00 58.31 58.82 1om2 n LYS 6 Cb 0.16 -5.24 0.05 0.00 -0.51 0.00 0.00 35.03 29.49 1om2 n LYS 6 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1om2 n LEU 7 N -2.10 -3.35 0.06 -0.35 4.77 -1.26 -4.97 117.00 109.80 1om2 n LEU 7 Ca -0.05 -0.95 -0.06 0.00 -0.03 0.00 0.00 56.01 54.92 1om2 n LEU 7 Cb 0.54 -2.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.07 1om2 n LEU 7 CO 0.55 0.38 0.17 1.55 -1.33 0.00 0.00 177.39 178.72 1om2 h PRO 8 N -1.70 -0.24 0.00 3.23 0.13 -1.88 -3.42 132.00 128.13 1om2 h PRO 8 Ca -0.64 0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.39 1om2 h PRO 8 Cb 1.35 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 1om2 h PRO 8 CO 0.47 -0.04 -0.84 0.22 -0.23 0.00 0.00 178.00 177.58 1om2 h ASP 9 N -1.04 0.00 0.00 1.44 3.58 -1.93 -3.48 116.42 114.99 1om2 h ASP 9 Ca -0.03 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1om2 h ASP 9 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1om2 h ASP 9 CO 0.04 1.12 0.00 0.18 -2.88 0.00 0.00 179.24 177.70 1om2 n LEU 10 N -4.53 0.00 -0.07 2.28 4.77 -1.26 -4.70 117.00 113.49 1om2 n LEU 10 Ca -0.19 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.64 1om2 n LEU 10 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1om2 n LEU 10 CO 0.15 0.00 0.43 0.11 -1.33 0.00 0.00 177.39 176.76 1om2 h LYS 11 N 0.27 0.78 -6.93 3.23 1.79 -1.98 -3.45 116.57 110.29 1om2 h LYS 11 Ca 0.00 -0.51 -0.46 0.00 -2.18 0.00 0.00 60.65 57.50 1om2 h LYS 11 Cb 0.00 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1om2 h LYS 11 CO 0.00 1.14 0.35 -0.51 -1.08 0.00 0.00 179.45 179.34 1om2 s ASP 12 N -6.84 7.23 0.11 0.86 1.01 -1.26 -4.98 116.67 112.80 1om2 s ASP 12 Ca -0.11 1.81 -0.14 0.00 0.71 0.00 0.00 52.55 54.82 1om2 s ASP 12 Cb 0.09 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 1om2 s ASP 12 CO 0.87 -0.15 1.44 0.00 0.21 0.00 0.00 175.17 177.54 1om2 h ALA 13 N 2.86 0.47 -0.77 5.23 0.00 -1.99 -2.78 119.26 122.27 1om2 h ALA 13 Ca -0.47 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 1om2 h ALA 13 Cb 1.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1om2 h ALA 13 CO 0.64 0.50 0.40 1.49 0.00 0.00 0.00 179.25 182.27 1om2 h GLU 14 N 0.53 1.09 -0.10 0.00 4.22 -1.98 0.28 114.58 118.62 1om2 h GLU 14 Ca 0.05 -0.14 -0.04 0.00 0.08 0.00 0.00 59.36 59.31 1om2 h GLU 14 Cb 0.88 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1om2 h GLU 14 CO 0.08 0.82 -0.13 0.00 -2.18 0.00 0.00 179.01 177.60 1om2 h ALA 15 N 1.21 1.61 0.16 2.92 0.00 -1.94 0.46 119.26 123.67 1om2 h ALA 15 Ca 0.27 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 1om2 h ALA 15 Cb 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1om2 h ALA 15 CO -0.04 0.29 -1.38 0.28 0.00 0.00 0.00 179.25 178.40 1om2 h VAL 16 N 0.14 1.36 -0.47 0.00 2.07 -1.09 -3.18 116.25 115.08 1om2 h VAL 16 Ca 0.03 -2.90 -0.07 0.00 0.82 0.00 0.00 66.70 64.58 1om2 h VAL 16 Cb 0.32 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1om2 h VAL 16 CO 0.02 0.86 0.00 -0.61 0.02 0.00 0.00 177.57 177.86 1om2 h GLN 17 N 0.09 0.82 0.18 1.57 5.75 0.18 0.72 115.11 124.42 1om2 h GLN 17 Ca -0.19 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.06 1om2 h GLN 17 Cb 2.04 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 30.47 1om2 h GLN 17 CO 0.21 0.87 -0.42 0.87 -2.65 0.00 0.00 178.83 177.71 1om2 h LYS 18 N 0.68 -0.67 -0.29 1.69 1.79 -1.01 -0.82 116.57 117.93 1om2 h LYS 18 Ca 0.13 0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 1om2 h LYS 18 Cb 0.50 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1om2 h LYS 18 CO 0.02 -0.45 0.04 0.35 -1.08 0.00 0.00 179.45 178.34 1om2 h PHE 19 N -0.70 0.52 -0.38 -1.35 3.57 -1.52 0.41 116.94 117.48 1om2 h PHE 19 Ca 0.01 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.51 1om2 h PHE 19 Cb 0.70 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 1om2 h PHE 19 CO -0.34 0.58 -0.12 0.35 -2.23 0.00 0.00 178.31 176.55 1om2 h PHE 20 N 0.30 -0.28 -0.58 0.41 3.57 -0.66 0.12 116.94 119.83 1om2 h PHE 20 Ca 0.09 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1om2 h PHE 20 Cb 0.35 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1om2 h PHE 20 CO 0.02 -0.20 0.13 -0.07 -2.23 0.00 0.00 178.31 175.96 1om2 h LEU 21 N -0.04 0.89 -1.27 0.59 3.38 -1.11 -1.47 115.31 116.27 1om2 h LEU 21 Ca 0.19 -0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.10 1om2 h LEU 21 Cb 0.32 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1om2 h LEU 21 CO -0.41 0.90 0.61 -0.08 0.09 0.00 0.00 178.44 179.54 1om2 h GLU 22 N 0.83 0.58 0.07 1.13 4.81 0.85 0.98 114.58 123.83 1om2 h GLU 22 Ca 0.18 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 1om2 h GLU 22 Cb 0.37 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1om2 h GLU 22 CO 0.00 0.39 -0.55 1.49 -0.73 0.00 0.00 179.01 179.62 1om2 h GLU 23 N 0.60 0.25 -0.57 1.92 4.57 -0.65 0.41 114.58 121.10 1om2 h GLU 23 Ca 0.51 -0.36 0.11 0.00 -1.18 0.00 0.00 59.36 58.45 1om2 h GLU 23 Cb 1.00 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.63 1om2 h GLU 23 CO -0.26 1.13 0.08 0.82 -1.18 0.00 0.00 179.01 179.60 1om2 h ILE 24 N -0.46 0.62 -0.02 2.32 2.04 -0.56 0.64 117.51 122.08 1om2 h ILE 24 Ca -0.09 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1om2 h ILE 24 Cb 1.37 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1om2 h ILE 24 CO 0.10 0.04 -0.29 1.56 0.00 0.00 0.00 178.15 179.56 1om2 h GLN 25 N 0.21 0.24 -0.47 2.37 4.20 -0.90 -2.24 115.11 118.52 1om2 h GLN 25 Ca 0.30 -0.23 0.08 0.00 0.06 0.00 0.00 58.65 58.86 1om2 h GLN 25 Cb 0.45 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 1om2 h GLN 25 CO -0.42 0.91 0.07 1.25 -0.67 0.00 0.00 178.83 179.98 1om2 h LEU 26 N -0.35 -0.05 0.50 1.46 7.12 -0.65 0.20 115.31 123.54 1om2 h LEU 26 Ca -0.03 0.09 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 1om2 h LEU 26 Cb 1.00 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1om2 h LEU 26 CO 0.06 0.01 -0.24 1.23 -0.13 0.00 0.00 178.44 179.37 1om2 h GLY 27 N 0.20 -0.70 -0.12 3.75 0.00 -0.94 0.39 103.07 105.65 1om2 h GLY 27 Ca 0.23 0.26 0.29 0.00 0.00 0.00 0.00 47.33 48.11 1om2 h GLY 27 CO -0.33 -0.25 0.72 0.83 0.00 0.00 0.00 176.54 177.51 1om2 h GLU 28 N -0.67 0.19 -0.21 4.80 4.39 -1.14 0.13 114.58 122.07 1om2 h GLU 28 Ca -0.07 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1om2 h GLU 28 Cb 0.51 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1om2 h GLU 28 CO 0.11 0.12 -0.27 1.49 -1.16 0.00 0.00 179.01 179.30 1om2 h GLU 29 N 0.19 0.55 -0.74 2.33 4.57 -0.38 0.10 114.58 121.20 1om2 h GLU 29 Ca 0.55 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 1om2 h GLU 29 Cb 1.77 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.35 1om2 h GLU 29 CO -0.14 0.91 0.30 -0.07 -1.18 0.00 0.00 179.01 178.83 1om2 h LEU 30 N 0.22 1.01 -1.27 1.64 3.38 0.14 -1.06 115.31 119.38 1om2 h LEU 30 Ca 0.02 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1om2 h LEU 30 Cb 0.84 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1om2 h LEU 30 CO 0.06 0.90 -0.33 -0.07 0.09 0.00 0.00 178.44 179.10 1om2 h LEU 31 N 1.08 0.06 -2.59 1.67 4.07 -0.83 0.11 115.31 118.87 1om2 h LEU 31 Ca 0.25 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.20 1om2 h LEU 31 Cb 0.20 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1om2 h LEU 31 CO -0.02 0.39 0.07 0.00 -1.08 0.00 0.00 178.44 177.80 1om2 h ALA 32 N 1.62 1.36 0.09 1.53 0.00 0.55 0.01 119.26 124.41 1om2 h ALA 32 Ca 0.01 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.56 1om2 h ALA 32 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1om2 h ALA 32 CO 0.04 -0.08 -2.00 0.94 0.00 0.00 0.00 179.25 178.15 1om2 n GLN 33 N -3.46 0.73 0.00 0.00 0.00 0.09 -5.00 117.38 109.73 1om2 n GLN 33 Ca -0.02 0.25 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 1om2 n GLN 33 Cb 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.69 1om2 n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1om2 n GLY 34 N 1.94 0.69 2.35 1.69 0.00 0.14 -5.07 105.19 106.94 1om2 n GLY 34 Ca -0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 7.33 -0.32 1.61 -0.08 -0.46 -4.74 116.55 119.89 1om2 n ASP 35 Ca 0.00 -2.90 0.17 0.00 -1.51 0.00 0.00 54.79 50.54 1om2 n ASP 35 Cb 0.00 -1.39 0.34 0.00 2.34 0.00 0.00 41.12 42.41 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 4.01 0.31 -0.86 -0.67 0.05 -1.88 0.90 116.97 118.83 1om2 h TYR 36 Ca 0.58 0.06 -0.00 0.00 0.05 0.00 0.00 58.73 59.41 1om2 h TYR 36 Cb 0.62 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.34 1om2 h TYR 36 CO 1.67 -0.32 0.52 1.49 -1.05 0.00 0.00 178.16 180.47 1om2 h GLU 37 N 0.11 1.16 -0.16 4.88 4.81 -1.99 -1.22 114.58 122.17 1om2 h GLU 37 Ca 0.62 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.62 1om2 h GLU 37 Cb 1.34 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1om2 h GLU 37 CO -0.76 0.81 -0.45 0.87 -0.73 0.00 0.00 179.01 178.75 1om2 h LYS 38 N 1.17 0.38 -0.74 1.92 1.79 -1.26 -2.77 116.57 117.07 1om2 h LYS 38 Ca 0.31 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1om2 h LYS 38 Cb -0.05 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 1om2 h LYS 38 CO -0.06 0.76 0.47 0.78 -1.08 0.00 0.00 179.45 180.33 1om2 h GLY 39 N 1.19 1.05 0.99 3.86 0.00 -0.20 -0.20 103.07 109.77 1om2 h GLY 39 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1om2 h GLY 39 CO 0.08 0.40 0.23 -2.08 0.00 0.00 0.00 176.54 175.17 1om2 h VAL 40 N 1.01 1.08 0.31 4.60 2.07 -1.02 0.20 116.25 124.50 1om2 h VAL 40 Ca 0.27 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1om2 h VAL 40 Cb -0.08 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1om2 h VAL 40 CO -0.05 0.09 -0.15 -0.78 0.02 0.00 0.00 177.57 176.70 1om2 h ASP 41 N 0.48 -0.35 -0.25 0.57 3.58 -1.35 0.72 116.42 119.82 1om2 h ASP 41 Ca 0.13 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1om2 h ASP 41 Cb -0.05 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1om2 h ASP 41 CO -0.03 -0.15 0.01 0.45 -2.88 0.00 0.00 179.24 176.64 1om2 h HIS 42 N -0.53 0.57 -0.15 0.28 3.86 -0.96 -0.34 115.15 117.89 1om2 h HIS 42 Ca -0.04 -0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 1om2 h HIS 42 Cb 0.39 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1om2 h HIS 42 CO -0.03 0.54 -0.38 1.25 0.86 0.00 0.00 177.93 180.18 1om2 h LEU 43 N 0.53 0.59 -1.11 2.43 5.85 -0.52 -2.25 115.31 120.83 1om2 h LEU 43 Ca 0.11 -0.58 0.19 0.00 0.84 0.00 0.00 57.88 58.45 1om2 h LEU 43 Cb 0.32 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1om2 h LEU 43 CO 0.01 1.07 0.61 0.74 -0.34 0.00 0.00 178.44 180.53 1om2 h THR 44 N 0.14 0.70 -0.34 1.05 2.02 -0.03 0.18 112.91 116.63 1om2 h THR 44 Ca -0.01 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1om2 h THR 44 Cb 1.00 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1om2 h THR 44 CO 0.08 0.13 0.08 0.78 0.37 0.00 0.00 175.52 176.96 1om2 h ASN 45 N 0.70 0.52 -0.48 4.18 2.35 -0.93 -0.81 115.58 121.11 1om2 h ASN 45 Ca 0.56 -0.24 0.08 0.00 -0.55 0.00 0.00 56.30 56.16 1om2 h ASN 45 Cb 0.96 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 39.12 1om2 h ASN 45 CO -0.34 0.62 0.08 0.00 -1.65 0.00 0.00 177.43 176.14 1om2 h ALA 46 N 0.92 0.53 -0.66 -0.83 0.00 -0.09 -0.22 119.26 118.90 1om2 h ALA 46 Ca 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1om2 h ALA 46 Cb 0.31 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1om2 h ALA 46 CO 0.00 -0.33 0.30 0.82 0.00 0.00 0.00 179.25 180.05 1om2 h ILE 47 N 0.21 1.22 -0.21 0.00 5.03 -0.91 0.25 117.51 123.10 1om2 h ILE 47 Ca 0.24 -0.64 -0.02 0.00 -0.12 0.00 0.00 64.86 64.33 1om2 h ILE 47 Cb 0.33 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.50 1om2 h ILE 47 CO -0.33 0.26 0.05 0.00 -0.68 0.00 0.00 178.15 177.45 1om2 h ALA 48 N 1.39 1.70 0.00 1.87 0.00 0.43 0.82 119.26 125.47 1om2 h ALA 48 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1om2 h ALA 48 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1om2 h ALA 48 CO -0.03 0.23 -1.49 1.33 0.00 0.00 0.00 179.25 179.30 1om2 n VAL 49 N -4.41 0.01 -0.10 0.00 0.24 -0.73 -4.50 118.33 108.85 1om2 n VAL 49 Ca 0.00 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 61.85 1om2 n VAL 49 Cb 0.15 0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.48 1.39 2.42 0.00 0.00 0.24 -4.92 105.19 105.80 1om2 n GLY 51 Ca -0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 2.08 0.01 1.61 -0.06 -1.26 -4.98 117.38 112.78 1om2 n GLN 52 Ca 0.00 -4.26 -0.10 0.00 -2.00 0.00 0.00 57.00 50.64 1om2 n GLN 52 Cb 0.00 -1.96 -0.03 0.00 -4.06 0.00 0.00 30.24 24.19 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 3.89 -0.20 -0.36 3.69 0.13 -1.91 -2.97 132.00 134.27 1om2 h PRO 53 Ca 0.15 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.36 1om2 h PRO 53 Cb 0.71 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 1om2 h PRO 53 CO 0.72 -0.13 -0.02 1.96 -0.23 0.00 0.00 178.00 180.30 1om2 h GLN 54 N -0.20 0.07 -0.65 0.86 4.20 -1.98 0.27 115.11 117.68 1om2 h GLN 54 Ca 0.09 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1om2 h GLN 54 Cb 0.33 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1om2 h GLN 54 CO -0.23 0.05 0.39 0.37 -0.67 0.00 0.00 178.83 178.74 1om2 h GLN 55 N 0.08 0.73 -0.54 1.46 4.15 -1.99 -0.64 115.11 118.35 1om2 h GLN 55 Ca 0.18 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 1om2 h GLN 55 Cb 0.25 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1om2 h GLN 55 CO -0.31 0.48 0.14 1.25 -1.93 0.00 0.00 178.83 178.46 1om2 h LEU 56 N 0.75 0.82 -1.14 -2.39 5.85 -1.12 0.55 115.31 118.64 1om2 h LEU 56 Ca 0.27 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1om2 h LEU 56 Cb 0.08 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1om2 h LEU 56 CO -0.13 0.84 0.32 -0.07 -0.34 0.00 0.00 178.44 179.06 1om2 h LEU 57 N 0.76 0.83 -0.19 2.25 3.38 0.18 0.71 115.31 123.24 1om2 h LEU 57 Ca 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1om2 h LEU 57 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1om2 h LEU 57 CO 0.00 0.70 -0.01 -0.61 0.09 0.00 0.00 178.44 178.61 1om2 h GLN 58 N 0.92 0.34 -0.44 1.13 5.75 -0.74 -1.39 115.11 120.67 1om2 h GLN 58 Ca 0.23 -0.11 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 1om2 h GLN 58 Cb 0.09 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1om2 h GLN 58 CO -0.03 0.56 0.31 -0.24 -2.65 0.00 0.00 178.83 176.78 1om2 h VAL 59 N 0.08 0.87 0.10 2.39 3.04 -0.02 0.16 116.25 122.86 1om2 h VAL 59 Ca 0.05 -0.07 -0.28 0.00 -1.01 0.00 0.00 66.70 65.40 1om2 h VAL 59 Cb 0.42 0.66 0.02 0.00 -2.01 0.00 0.00 31.29 30.38 1om2 h VAL 59 CO 0.01 0.04 -1.18 -0.07 -1.01 0.00 0.00 177.57 175.36 1om2 h LEU 60 N 0.19 0.70 -0.75 3.16 -0.00 -0.70 -3.07 115.31 114.84 1om2 h LEU 60 Ca 0.21 -0.65 -0.13 0.00 -0.00 0.00 0.00 57.88 57.31 1om2 h LEU 60 Cb 0.56 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1om2 h LEU 60 CO -0.03 1.47 -0.47 -0.61 -0.00 0.00 0.00 178.44 178.80 1om2 h GLN 61 N 0.22 0.37 -0.36 1.13 4.15 0.04 -2.35 115.11 118.31 1om2 h GLN 61 Ca -0.15 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.02 1om2 h GLN 61 Cb 1.85 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.54 1om2 h GLN 61 CO 0.21 0.76 0.07 1.96 -1.93 0.00 0.00 178.83 179.91 1om2 h GLN 62 N 0.30 0.59 0.04 1.69 1.08 -0.80 -3.23 115.11 114.77 1om2 h GLN 62 Ca 0.02 -0.15 -0.23 0.00 -1.45 0.00 0.00 58.65 56.84 1om2 h GLN 62 Cb 0.94 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 1om2 h GLN 62 CO 0.08 0.65 -1.06 0.00 -0.95 0.00 0.00 178.83 177.56 1om2 h THR 63 N 0.43 1.64 -1.69 -0.54 1.03 -1.53 -3.48 112.91 108.78 1om2 h THR 63 Ca 0.11 -3.26 0.04 0.00 -0.01 0.00 0.00 66.41 63.29 1om2 h THR 63 Cb 0.34 2.85 -0.23 0.00 -1.07 0.00 0.00 68.15 70.04 1om2 h THR 63 CO 0.01 0.94 0.42 -1.48 -0.01 0.00 0.00 175.52 175.39 1om2 s LEU 64 N -6.89 -0.48 -0.23 0.00 0.05 -0.89 -5.12 118.68 105.13 1om2 s LEU 64 Ca -0.01 0.66 -0.29 0.00 0.05 0.00 0.00 54.13 54.55 1om2 s LEU 64 Cb 0.09 2.05 -0.04 0.00 -2.05 0.00 0.00 46.19 46.25 1om2 s LEU 64 CO 0.84 -0.34 1.84 -2.16 -0.55 0.00 0.00 176.35 175.97 1om2 s PRO 65 N -0.69 3.55 -0.52 1.48 0.04 -1.26 -3.97 135.00 133.62 1om2 s PRO 65 Ca -0.02 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 1om2 s PRO 65 Cb -0.02 -4.17 0.08 0.00 0.04 0.00 0.00 34.50 30.43 1om2 s PRO 65 CO 0.01 -1.61 0.57 -1.25 0.04 0.00 0.00 177.00 174.76 1om2 s PRO 66 N 5.32 3.06 0.19 0.56 0.04 -1.26 -4.92 135.00 137.98 1om2 s PRO 66 Ca 0.82 -1.17 -0.02 0.00 0.04 0.00 0.00 61.00 60.67 1om2 s PRO 66 Cb -0.28 -4.16 0.11 0.00 0.04 0.00 0.00 34.50 30.21 1om2 s PRO 66 CO 0.33 -1.24 1.49 -1.00 0.04 0.00 0.00 177.00 176.62 1om2 h PRO 67 N 8.96 0.49 -0.36 0.56 0.13 -2.01 -3.18 132.00 136.59 1om2 h PRO 67 Ca -0.28 -0.34 0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1om2 h PRO 67 Cb 1.10 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1om2 h PRO 67 CO 0.97 0.95 -0.01 0.28 -0.23 0.00 0.00 178.00 179.96 1om2 h VAL 68 N 0.37 0.73 -0.86 1.56 2.07 -1.97 -1.56 116.25 116.59 1om2 h VAL 68 Ca -0.01 -0.03 0.22 0.00 0.82 0.00 0.00 66.70 67.71 1om2 h VAL 68 Cb 1.15 0.63 -0.14 0.00 -1.52 0.00 0.00 31.29 31.41 1om2 h VAL 68 CO 0.11 0.02 0.16 0.15 0.02 0.00 0.00 177.57 178.03 1om2 h PHE 69 N 0.09 0.22 -0.26 1.57 3.04 -1.97 0.30 116.94 119.93 1om2 h PHE 69 Ca 0.17 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.13 1om2 h PHE 69 Cb 0.24 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1om2 h PHE 69 CO -0.25 -0.23 -0.04 0.37 -2.02 0.00 0.00 178.31 176.13 1om2 h GLN 70 N 0.17 0.41 0.02 1.11 5.75 -1.38 -0.31 115.11 120.88 1om2 h GLN 70 Ca 0.52 -0.09 -0.22 0.00 -0.15 0.00 0.00 58.65 58.71 1om2 h GLN 70 Cb 1.02 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 1om2 h GLN 70 CO -0.68 0.47 -0.96 0.52 -2.65 0.00 0.00 178.83 175.53 1om2 h MET 71 N 0.39 0.27 -0.34 1.69 2.86 -0.46 -1.98 114.93 117.36 1om2 h MET 71 Ca 0.08 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1om2 h MET 71 Cb 0.33 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1om2 h MET 71 CO 0.01 1.05 0.21 1.25 1.06 0.00 0.00 176.91 180.49 1om2 h LEU 72 N 0.14 0.40 -1.50 1.22 5.85 0.14 0.23 115.31 121.78 1om2 h LEU 72 Ca -0.07 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1om2 h LEU 72 Cb 1.62 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1om2 h LEU 72 CO 0.15 0.31 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.24 1om2 h LEU 73 N 0.44 0.00 0.00 2.25 3.38 -0.98 -2.42 115.31 117.98 1om2 h LEU 73 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1om2 h LEU 73 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1om2 h LEU 73 CO -0.02 0.26 -0.69 0.00 0.09 0.00 0.00 178.44 178.07 1om2 h THR 74 N 0.00 0.59 0.64 0.22 1.03 -0.59 -3.38 112.91 111.42 1om2 h THR 74 Ca -0.00 -1.89 -0.03 0.00 -0.01 0.00 0.00 66.41 64.47 1om2 h THR 74 Cb 0.47 2.19 0.01 0.00 -1.07 0.00 0.00 68.15 69.75 1om2 h THR 74 CO 0.03 0.33 -0.31 0.11 -0.01 0.00 0.00 175.52 175.68 1om2 h LYS 75 N 0.00 -0.83 -0.41 0.00 6.56 -0.04 -3.35 116.57 118.50 1om2 h LYS 75 Ca -0.04 0.06 0.05 0.00 -1.06 0.00 0.00 60.65 59.66 1om2 h LYS 75 Cb 1.34 0.19 -0.08 0.00 -0.57 0.00 0.00 32.23 33.11 1om2 h LYS 75 CO 0.05 -0.51 -0.56 -0.07 -2.06 0.00 0.00 179.45 176.30 1om2 h LEU 76 N -1.11 -1.86 -7.39 2.94 4.07 -1.71 -3.24 115.31 107.00 1om2 h LEU 76 Ca -0.09 0.24 -0.60 0.00 0.08 0.00 0.00 57.88 57.51 1om2 h LEU 76 Cb 0.70 0.76 -0.05 0.00 1.08 0.00 0.00 40.66 43.15 1om2 h LEU 76 CO 0.14 -0.41 2.14 -0.81 -1.08 0.00 0.00 178.44 178.43 1om2 n PRO 77 N -5.38 2.60 -0.07 1.13 -0.04 -1.26 -4.60 135.00 127.38 1om2 n PRO 77 Ca -0.03 -2.82 -0.11 0.00 -0.04 0.00 0.00 63.50 60.49 1om2 n PRO 77 Cb 0.34 -3.45 -0.09 0.00 -0.04 0.00 0.00 33.50 30.26 1om2 n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1om2 h THR 78 N 5.29 1.13 -0.97 0.52 1.03 -1.78 -3.35 112.91 114.78 1om2 h THR 78 Ca 0.42 -1.92 0.20 0.00 -0.01 0.00 0.00 66.41 65.10 1om2 h THR 78 Cb 0.82 2.21 -0.11 0.00 -1.07 0.00 0.00 68.15 70.00 1om2 h THR 78 CO 1.54 0.38 0.56 0.40 -0.01 0.00 0.00 175.52 178.40 1om2 h ILE 79 N -1.00 0.65 -1.05 0.00 5.03 -1.92 -0.32 117.51 118.89 1om2 h ILE 79 Ca -0.05 -0.23 0.28 0.00 -0.12 0.00 0.00 64.86 64.74 1om2 h ILE 79 Cb 0.77 -0.08 -0.10 0.00 -3.03 0.00 0.00 36.82 34.38 1om2 h ILE 79 CO -0.03 0.12 0.67 0.28 -0.68 0.00 0.00 178.15 178.51 1om2 h SER 80 N 0.67 0.46 -0.64 1.72 0.02 -1.94 0.74 113.55 114.58 1om2 h SER 80 Ca 0.58 0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.72 1om2 h SER 80 Cb 0.96 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.44 1om2 h SER 80 CO -0.42 0.07 0.26 -0.61 -1.14 0.00 0.00 176.83 174.99 1om2 h GLN 81 N 0.39 0.43 0.00 3.45 5.75 -1.23 -1.46 115.11 122.44 1om2 h GLN 81 Ca 0.62 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 59.06 1om2 h GLN 81 Cb 1.55 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 30.00 1om2 h GLN 81 CO -0.33 0.29 -0.16 0.07 -2.65 0.00 0.00 178.83 176.05 1om2 h ARG 82 N 0.45 0.00 0.04 1.69 -0.00 -0.98 0.14 114.38 115.71 1om2 h ARG 82 Ca 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.30 1om2 h ARG 82 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 1om2 h ARG 82 CO -0.31 0.16 -0.02 0.82 -0.00 0.00 0.00 179.97 180.63 1om2 h ILE 83 N 0.00 1.31 -0.75 0.08 1.08 -1.30 -3.29 117.51 114.64 1om2 h ILE 83 Ca -0.00 -1.69 0.07 0.00 -0.39 0.00 0.00 64.86 62.85 1om2 h ILE 83 Cb 0.32 2.35 -0.05 0.00 -3.07 0.00 0.00 36.82 36.37 1om2 h ILE 83 CO 0.02 0.40 0.49 0.58 -0.69 0.00 0.00 178.15 178.95 1om2 h VAL 84 N -0.87 1.01 0.00 1.67 2.07 -1.21 0.95 116.25 119.87 1om2 h VAL 84 Ca -0.01 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1om2 h VAL 84 Cb 0.69 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1om2 h VAL 84 CO 0.01 0.14 -0.23 -1.20 0.02 0.00 0.00 177.57 176.31 1om2 n SER 85 N -4.48 4.63 0.00 0.57 7.64 0.02 -2.87 113.62 119.13 1om2 n SER 85 Ca 0.11 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.65 1om2 n SER 85 Cb 0.24 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 2.36 0.00 -1.45 -0.43 0.00 -1.02 -4.95 120.51 115.02 1om2 n ALA 86 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 1om2 n ALA 86 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.48 2.60 0.00 0.00 0.00 0.30 -0.77 117.38 118.03 1om2 n GLN 87 Ca 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 57.00 54.73 1om2 n GLN 87 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 30.24 27.18 1om2 n GLN 87 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1om2 n SER 88 N 5.90 0.00 -2.32 1.69 7.64 -1.26 -4.77 113.62 120.50 1om2 n SER 88 Ca 0.55 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.12 1om2 n SER 88 Cb 0.35 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.50 6.31 -4.26 -3.43 -0.00 0.05 -4.93 117.00 110.23 1om2 n LEU 89 Ca 0.00 -4.65 -0.44 0.00 -0.00 0.00 0.00 56.01 50.92 1om2 n LEU 89 Cb 0.00 -0.70 -0.05 0.00 -0.00 0.00 0.00 43.42 42.67 1om2 n LEU 89 CO 0.00 1.84 0.25 -0.83 -0.00 0.00 0.00 177.39 178.65 1om2 s GLY 90 N -2.58 2.48 0.68 1.47 0.00 -0.78 -4.92 107.32 103.67 1om2 s GLY 90 Ca 0.56 -3.11 -0.16 0.00 0.00 0.00 0.00 44.72 42.02 1om2 s GLY 90 CO -0.07 1.20 1.16 1.85 0.00 0.00 0.00 173.10 177.23 1om2 s GLU 91 N 0.46 2.58 0.37 2.90 2.56 -1.26 -5.06 118.70 121.24 1om2 s GLU 91 Ca 0.14 1.59 0.08 0.00 0.00 0.00 0.00 54.97 56.78 1om2 s GLU 91 Cb -0.17 -1.90 -0.04 0.00 2.00 0.00 0.00 34.13 34.01 1om2 s GLU 91 CO -0.05 -1.46 0.17 0.34 -0.56 0.00 0.00 175.26 173.70 1om2 s ASP 92 N -2.23 4.64 0.07 -1.70 2.15 -1.26 -5.16 116.67 113.19 1om2 s ASP 92 Ca 0.71 -0.86 -0.26 0.00 0.43 0.00 0.00 52.55 52.57 1om2 s ASP 92 Cb -0.25 -0.64 0.08 0.00 -0.30 0.00 0.00 42.92 41.82 1om2 s ASP 92 CO 0.41 -0.40 0.81 -0.62 -0.17 0.00 0.00 175.17 175.20 1om2 s ASP 93 N -3.89 -0.40 -0.04 -0.34 2.15 -1.26 -5.19 116.67 107.71 1om2 s ASP 93 Ca 0.40 -0.08 -0.05 0.00 0.43 0.00 0.00 52.55 53.25 1om2 s ASP 93 Cb -0.01 0.47 0.01 0.00 -0.30 0.00 0.00 42.92 43.10 1om2 s ASP 93 CO 0.23 -0.79 0.14 -0.69 -0.17 0.00 0.00 175.17 173.89 1om2 s VAL 94 N -3.35 0.02 -2.00 1.11 1.01 -1.26 -5.35 120.40 110.57 1om2 s VAL 94 Ca 0.05 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.98 1om2 s VAL 94 Cb -0.01 -0.24 0.25 0.00 0.00 0.00 0.00 36.38 36.38 1om2 s VAL 94 CO -0.08 -0.07 0.98 -0.62 0.00 0.00 0.00 175.10 175.30