#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 2.79 -1.58 7.54 0.00 -1.26 -4.87 121.76 124.38 1om2 s ALA 2 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1om2 s ALA 2 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 1om2 s ALA 2 CO 0.00 -2.71 2.79 0.41 0.00 0.00 0.00 175.76 176.24 1om2 n GLY 3 N 5.62 4.33 3.51 0.00 0.00 -1.26 -4.69 105.19 112.70 1om2 n GLY 3 Ca 0.27 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 1om2 n GLY 3 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1om2 s LEU 4 N 0.47 -0.94 -0.30 0.99 0.20 -1.26 -5.13 118.68 112.71 1om2 s LEU 4 Ca 0.64 1.36 0.00 0.00 0.69 0.00 0.00 54.13 56.83 1om2 s LEU 4 Cb 0.17 1.96 0.19 0.00 -0.43 0.00 0.00 46.19 48.09 1om2 s LEU 4 CO -0.07 -0.22 0.59 -0.55 -0.29 0.00 0.00 176.35 175.81 1om2 s SER 5 N 2.71 -1.36 -1.01 3.68 0.15 -1.26 -5.10 113.70 111.50 1om2 s SER 5 Ca -0.05 0.72 -0.04 0.00 0.70 0.00 0.00 55.95 57.29 1om2 s SER 5 Cb -0.12 2.10 0.28 0.00 -1.71 0.00 0.00 66.02 66.57 1om2 s SER 5 CO -0.17 -0.27 1.19 0.29 1.20 0.00 0.00 173.24 175.48 1om2 n LYS 6 N 5.43 3.71 -3.76 5.44 5.02 -1.26 -4.54 118.16 128.19 1om2 n LYS 6 Ca -0.00 -4.54 -0.29 0.00 -2.02 0.00 0.00 58.31 51.46 1om2 n LYS 6 Cb 0.51 -2.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.07 1om2 n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1om2 n LEU 7 N 1.77 -2.23 0.00 -0.35 4.77 -1.26 -4.97 117.00 114.72 1om2 n LEU 7 Ca 0.25 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1om2 n LEU 7 Cb 0.36 -1.98 0.00 0.00 -2.33 0.00 0.00 43.42 39.47 1om2 n LEU 7 CO 0.56 0.34 0.09 -0.81 -1.33 0.00 0.00 177.39 176.24 1om2 n PRO 8 N -3.50 0.00 0.06 3.23 -0.04 -1.26 -4.53 135.00 128.96 1om2 n PRO 8 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1om2 n PRO 8 Cb 0.62 -0.65 -0.14 0.00 -0.04 0.00 0.00 33.50 33.29 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 0.25 0.00 3.54 3.58 -1.97 -3.48 116.42 118.34 1om2 h ASP 9 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1om2 h ASP 9 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1om2 h ASP 9 CO 0.00 1.27 0.00 -0.11 -2.88 0.00 0.00 179.24 177.52 1om2 n LEU 10 N -3.38 0.00 -0.10 2.28 0.00 -1.26 -4.73 117.00 109.80 1om2 n LEU 10 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.85 1om2 n LEU 10 Cb 1.02 0.00 0.17 0.00 0.00 0.00 0.00 43.42 44.61 1om2 n LEU 10 CO 0.49 0.00 0.89 0.11 0.00 0.00 0.00 177.39 178.88 1om2 h LYS 11 N 0.35 0.77 -6.77 1.96 1.79 -1.98 -3.43 116.57 109.26 1om2 h LYS 11 Ca 0.00 -0.20 -0.49 0.00 -2.18 0.00 0.00 60.65 57.78 1om2 h LYS 11 Cb 0.00 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1om2 h LYS 11 CO 0.00 0.78 0.36 -0.51 -1.08 0.00 0.00 179.45 179.00 1om2 s ASP 12 N -6.65 7.58 0.07 0.86 1.01 -1.26 -4.98 116.67 113.30 1om2 s ASP 12 Ca -0.09 1.98 -0.13 0.00 0.71 0.00 0.00 52.55 55.02 1om2 s ASP 12 Cb 0.15 -2.61 -0.25 0.00 1.01 0.00 0.00 42.92 41.22 1om2 s ASP 12 CO 0.81 0.11 1.16 0.00 0.21 0.00 0.00 175.17 177.45 1om2 h ALA 13 N 4.04 0.09 -0.77 5.23 0.00 -1.99 -3.06 119.26 122.80 1om2 h ALA 13 Ca -0.45 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 53.66 1om2 h ALA 13 Cb 1.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1om2 h ALA 13 CO 0.68 0.71 0.26 1.05 0.00 0.00 0.00 179.25 181.94 1om2 h GLU 14 N 0.32 1.18 -0.59 0.00 -0.00 -1.98 0.21 114.58 113.73 1om2 h GLU 14 Ca -0.15 -0.24 -0.03 0.00 -0.00 0.00 0.00 59.36 58.93 1om2 h GLU 14 Cb 1.80 -0.18 -0.03 0.00 -0.00 0.00 0.00 28.75 30.34 1om2 h GLU 14 CO 0.22 0.99 0.23 0.00 -0.00 0.00 0.00 179.01 180.44 1om2 h ALA 15 N 1.14 1.30 -0.07 1.06 0.00 -1.97 0.17 119.26 120.89 1om2 h ALA 15 Ca 0.25 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1om2 h ALA 15 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1om2 h ALA 15 CO -0.01 0.52 -0.83 0.28 0.00 0.00 0.00 179.25 179.21 1om2 h VAL 16 N 0.84 1.35 -0.50 0.00 2.07 -1.33 -1.93 116.25 116.76 1om2 h VAL 16 Ca 0.20 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 65.50 1om2 h VAL 16 Cb 0.18 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1om2 h VAL 16 CO -0.02 0.67 0.16 -0.61 0.02 0.00 0.00 177.57 177.79 1om2 h GLN 17 N 0.34 0.78 0.11 1.57 4.15 0.20 0.13 115.11 122.40 1om2 h GLN 17 Ca -0.06 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1om2 h GLN 17 Cb 1.44 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1om2 h GLN 17 CO 0.15 0.72 -0.05 0.87 -1.93 0.00 0.00 178.83 178.59 1om2 h LYS 18 N 0.68 -0.15 -0.53 1.69 1.57 -0.63 -0.80 116.57 118.40 1om2 h LYS 18 Ca 0.16 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1om2 h LYS 18 Cb 0.27 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1om2 h LYS 18 CO -0.01 0.00 0.32 0.35 -0.57 0.00 0.00 179.45 179.54 1om2 h PHE 19 N -0.27 0.71 -0.14 -1.35 3.04 -1.25 0.22 116.94 117.90 1om2 h PHE 19 Ca -0.02 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.97 1om2 h PHE 19 Cb 0.22 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 1om2 h PHE 19 CO -0.03 0.50 -0.10 0.35 -2.02 0.00 0.00 178.31 177.01 1om2 h PHE 20 N 0.72 -0.24 -0.37 0.41 3.57 -0.57 -0.55 116.94 119.90 1om2 h PHE 20 Ca 0.19 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1om2 h PHE 20 Cb 0.00 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1om2 h PHE 20 CO -0.02 -0.15 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.82 1om2 h LEU 21 N -0.10 0.56 -1.39 0.59 3.38 -0.96 -1.02 115.31 116.37 1om2 h LEU 21 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1om2 h LEU 21 Cb 0.23 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1om2 h LEU 21 CO -0.21 0.64 0.39 -0.08 0.09 0.00 0.00 178.44 179.27 1om2 h GLU 22 N 0.56 0.80 0.05 1.13 4.81 0.84 -0.21 114.58 122.57 1om2 h GLU 22 Ca 0.12 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1om2 h GLU 22 Cb 0.38 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1om2 h GLU 22 CO 0.01 0.54 -0.42 0.93 -0.73 0.00 0.00 179.01 179.34 1om2 h GLU 23 N 0.82 0.20 -0.53 1.92 5.08 -0.60 0.16 114.58 121.63 1om2 h GLU 23 Ca 0.22 -0.28 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1om2 h GLU 23 Cb -0.07 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1om2 h GLU 23 CO -0.05 1.07 -0.13 0.82 -1.00 0.00 0.00 179.01 179.73 1om2 h ILE 24 N -0.54 0.47 0.01 3.13 2.04 -0.99 0.11 117.51 121.74 1om2 h ILE 24 Ca -0.07 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1om2 h ILE 24 Cb 1.26 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1om2 h ILE 24 CO 0.08 0.00 -0.00 1.56 0.00 0.00 0.00 178.15 179.79 1om2 h GLN 25 N 0.00 -0.01 -0.56 2.37 4.20 -1.10 -2.46 115.11 117.55 1om2 h GLN 25 Ca 0.26 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.07 1om2 h GLN 25 Cb 0.39 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 1om2 h GLN 25 CO -0.55 0.63 0.08 1.25 -0.67 0.00 0.00 178.83 179.57 1om2 h LEU 26 N -0.67 -0.07 0.63 1.46 7.12 -0.43 0.12 115.31 123.46 1om2 h LEU 26 Ca -0.00 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 1om2 h LEU 26 Cb 0.65 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1om2 h LEU 26 CO 0.00 -0.02 -0.36 1.23 -0.13 0.00 0.00 178.44 179.16 1om2 h GLY 27 N 0.21 -1.07 -0.28 3.75 0.00 -0.86 0.17 103.07 104.99 1om2 h GLY 27 Ca 0.29 0.43 0.22 0.00 0.00 0.00 0.00 47.33 48.26 1om2 h GLY 27 CO -0.40 -0.37 0.30 -2.09 0.00 0.00 0.00 176.54 173.98 1om2 h GLU 28 N -0.92 0.30 -0.60 4.80 4.81 -0.91 0.34 114.58 122.40 1om2 h GLU 28 Ca -0.08 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1om2 h GLU 28 Cb 0.73 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1om2 h GLU 28 CO 0.10 0.20 0.13 1.49 -0.73 0.00 0.00 179.01 180.20 1om2 h GLU 29 N 0.31 0.97 -0.53 1.92 4.81 -0.54 0.21 114.58 121.73 1om2 h GLU 29 Ca 0.54 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1om2 h GLU 29 Cb 1.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1om2 h GLU 29 CO -0.57 0.90 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.44 1om2 h LEU 30 N 0.88 0.96 -1.22 1.64 3.38 0.86 -2.01 115.31 119.80 1om2 h LEU 30 Ca 0.19 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1om2 h LEU 30 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1om2 h LEU 30 CO 0.00 1.07 -0.18 -0.07 0.09 0.00 0.00 178.44 179.35 1om2 h LEU 31 N 0.87 0.30 -2.62 1.67 4.07 -0.67 0.13 115.31 119.06 1om2 h LEU 31 Ca 0.14 -0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.03 1om2 h LEU 31 Cb 0.63 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 1om2 h LEU 31 CO 0.04 0.50 0.11 0.00 -1.08 0.00 0.00 178.44 178.02 1om2 h ALA 32 N 1.53 1.21 0.07 1.53 0.00 0.18 0.28 119.26 124.05 1om2 h ALA 32 Ca 0.05 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.59 1om2 h ALA 32 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1om2 h ALA 32 CO 0.03 -0.12 -2.18 0.94 0.00 0.00 0.00 179.25 177.92 1om2 n GLN 33 N -3.16 0.71 0.00 0.00 0.00 0.01 -5.01 117.38 109.93 1om2 n GLN 33 Ca -0.02 0.21 0.00 0.00 -0.00 0.00 0.00 57.00 57.19 1om2 n GLN 33 Cb 0.18 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 28.78 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 2.06 0.25 2.49 1.69 0.00 0.24 -5.08 105.19 106.85 1om2 n GLY 34 Ca -0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 7.80 -0.32 1.61 -0.08 -0.40 -4.74 116.55 120.42 1om2 n ASP 35 Ca 0.00 -2.99 0.20 0.00 -1.51 0.00 0.00 54.79 50.49 1om2 n ASP 35 Cb 0.00 -1.43 0.41 0.00 2.34 0.00 0.00 41.12 42.44 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 4.86 0.69 -0.19 -0.67 0.05 -1.88 0.13 116.97 119.96 1om2 h TYR 36 Ca 0.71 0.04 0.04 0.00 0.05 0.00 0.00 58.73 59.58 1om2 h TYR 36 Cb 0.34 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 1om2 h TYR 36 CO 1.64 -0.22 -0.09 1.49 -1.05 0.00 0.00 178.16 179.92 1om2 h GLU 37 N 0.25 -0.07 -0.10 4.88 4.57 -1.99 -1.00 114.58 121.11 1om2 h GLU 37 Ca 0.68 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.78 1om2 h GLU 37 Cb 1.51 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 1om2 h GLU 37 CO -0.65 -0.05 -0.33 0.87 -1.18 0.00 0.00 179.01 177.67 1om2 h LYS 38 N -0.08 0.20 -0.61 1.92 1.79 -1.17 -2.53 116.57 116.09 1om2 h LYS 38 Ca 0.10 -0.08 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 1om2 h LYS 38 Cb 0.23 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 1om2 h LYS 38 CO -0.24 0.51 0.11 0.78 -1.08 0.00 0.00 179.45 179.54 1om2 h GLY 39 N 1.08 1.05 0.86 3.86 0.00 -0.42 0.83 103.07 110.34 1om2 h GLY 39 Ca 0.02 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1om2 h GLY 39 CO 0.05 0.62 0.01 -2.08 0.00 0.00 0.00 176.54 175.13 1om2 h VAL 40 N 0.93 1.12 0.52 4.60 2.07 -0.86 0.50 116.25 125.12 1om2 h VAL 40 Ca 0.19 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1om2 h VAL 40 Cb 0.38 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1om2 h VAL 40 CO 0.01 0.09 -0.25 -0.78 0.02 0.00 0.00 177.57 176.66 1om2 h ASP 41 N -0.13 -0.59 -0.27 0.57 3.58 -1.28 0.33 116.42 118.64 1om2 h ASP 41 Ca 0.00 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1om2 h ASP 41 Cb 0.15 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1om2 h ASP 41 CO -0.00 -0.39 0.05 0.45 -2.88 0.00 0.00 179.24 176.48 1om2 h HIS 42 N -0.74 0.55 -0.26 0.28 3.86 -0.86 -0.32 115.15 117.66 1om2 h HIS 42 Ca -0.07 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 58.95 1om2 h HIS 42 Cb 0.55 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 1om2 h HIS 42 CO -0.03 0.50 -0.43 1.25 0.86 0.00 0.00 177.93 180.08 1om2 h LEU 43 N 0.52 0.83 -1.20 2.43 5.85 -0.76 -1.11 115.31 121.87 1om2 h LEU 43 Ca 0.12 -0.52 0.14 0.00 0.84 0.00 0.00 57.88 58.46 1om2 h LEU 43 Cb 0.26 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1om2 h LEU 43 CO 0.00 1.19 0.59 0.74 -0.34 0.00 0.00 178.44 180.63 1om2 h THR 44 N 0.50 0.84 -0.44 1.05 2.02 0.10 0.11 112.91 117.09 1om2 h THR 44 Ca 0.02 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 1om2 h THR 44 Cb 1.03 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1om2 h THR 44 CO 0.10 0.14 -0.21 0.78 0.37 0.00 0.00 175.52 176.70 1om2 h ASN 45 N 0.77 0.94 -0.68 4.18 2.35 -0.81 -1.37 115.58 120.97 1om2 h ASN 45 Ca 0.47 -0.40 0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1om2 h ASN 45 Cb 0.68 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.72 1om2 h ASN 45 CO -0.23 1.14 0.30 0.00 -1.65 0.00 0.00 177.43 176.98 1om2 h ALA 46 N 0.84 0.92 -0.50 -0.83 0.00 0.47 0.46 119.26 120.62 1om2 h ALA 46 Ca 0.10 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1om2 h ALA 46 Cb 0.78 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1om2 h ALA 46 CO 0.06 -0.13 0.06 0.82 0.00 0.00 0.00 179.25 180.06 1om2 h ILE 47 N 0.50 1.23 -0.03 0.00 5.03 -0.94 0.03 117.51 123.34 1om2 h ILE 47 Ca 0.35 -0.91 -0.04 0.00 -0.12 0.00 0.00 64.86 64.13 1om2 h ILE 47 Cb 0.42 0.79 -0.01 0.00 -3.03 0.00 0.00 36.82 34.99 1om2 h ILE 47 CO -0.31 0.33 -0.17 0.00 -0.68 0.00 0.00 178.15 177.32 1om2 h ALA 48 N 1.30 1.67 0.00 1.87 0.00 0.20 0.60 119.26 124.89 1om2 h ALA 48 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1om2 h ALA 48 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1om2 h ALA 48 CO 0.01 0.25 -1.75 1.33 0.00 0.00 0.00 179.25 179.09 1om2 n VAL 49 N -4.32 0.04 -0.08 0.00 0.24 -0.68 -4.50 118.33 109.03 1om2 n VAL 49 Ca -0.02 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.34 61.70 1om2 n VAL 49 Cb 0.25 0.15 -0.11 0.00 -1.47 0.00 0.00 33.84 32.66 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 1.54 0.75 2.49 0.00 0.00 0.17 -4.89 105.19 105.25 1om2 n GLY 51 Ca -0.19 0.00 -0.23 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 -2.11 1.93 -0.03 1.61 -0.06 -1.26 -4.98 117.38 112.47 1om2 n GLN 52 Ca 0.00 -4.03 -0.08 0.00 -2.00 0.00 0.00 57.00 50.88 1om2 n GLN 52 Cb 0.02 -1.91 -0.02 0.00 -4.06 0.00 0.00 30.24 24.27 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 3.18 -0.21 -0.85 3.69 0.13 -1.90 -2.79 132.00 133.24 1om2 h PRO 53 Ca 0.12 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.39 1om2 h PRO 53 Cb 0.76 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 31.85 1om2 h PRO 53 CO 0.64 -0.14 0.46 1.96 -0.23 0.00 0.00 178.00 180.69 1om2 h GLN 54 N -0.22 0.67 -0.68 0.86 4.20 -1.98 0.32 115.11 118.28 1om2 h GLN 54 Ca 0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1om2 h GLN 54 Cb 0.41 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1om2 h GLN 54 CO -0.34 0.44 0.43 0.37 -0.67 0.00 0.00 178.83 179.07 1om2 h GLN 55 N 0.69 0.91 -0.48 1.46 5.75 -1.93 -1.12 115.11 120.39 1om2 h GLN 55 Ca 0.45 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.75 1om2 h GLN 55 Cb 0.58 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1om2 h GLN 55 CO -0.33 0.62 -0.22 1.25 -2.65 0.00 0.00 178.83 177.50 1om2 h LEU 56 N 0.92 1.02 -1.05 -2.39 5.85 -0.99 -2.66 115.31 116.01 1om2 h LEU 56 Ca 0.25 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1om2 h LEU 56 Cb -0.08 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 1om2 h LEU 56 CO -0.05 1.19 0.54 -0.07 -0.34 0.00 0.00 178.44 179.71 1om2 h LEU 57 N 0.84 1.05 -0.68 2.25 3.38 0.28 0.18 115.31 122.61 1om2 h LEU 57 Ca 0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1om2 h LEU 57 Cb 0.80 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1om2 h LEU 57 CO 0.07 0.80 -0.05 0.06 0.09 0.00 0.00 178.44 179.41 1om2 h GLN 58 N 1.21 0.97 -0.62 1.13 3.07 -1.16 -0.31 115.11 119.40 1om2 h GLN 58 Ca 0.32 -0.32 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1om2 h GLN 58 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.38 1om2 h GLN 58 CO -0.06 0.98 0.38 -0.24 0.09 0.00 0.00 178.83 179.98 1om2 h VAL 59 N 0.88 1.17 0.01 1.86 3.04 -0.82 0.40 116.25 122.80 1om2 h VAL 59 Ca 0.15 -0.38 -0.21 0.00 -1.01 0.00 0.00 66.70 65.25 1om2 h VAL 59 Cb 0.58 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 1om2 h VAL 59 CO 0.04 0.18 -0.98 -0.07 -1.01 0.00 0.00 177.57 175.73 1om2 h LEU 60 N 0.85 0.06 -0.09 3.16 -0.00 -0.31 -1.92 115.31 117.06 1om2 h LEU 60 Ca 0.22 -0.06 -0.24 0.00 -0.00 0.00 0.00 57.88 57.80 1om2 h LEU 60 Cb -0.04 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1om2 h LEU 60 CO -0.04 1.00 -1.01 -0.61 -0.00 0.00 0.00 178.44 177.78 1om2 h GLN 61 N 0.02 0.50 -0.31 1.13 4.15 -0.55 -2.35 115.11 117.70 1om2 h GLN 61 Ca -0.03 -0.56 -0.11 0.00 0.77 0.00 0.00 58.65 58.73 1om2 h GLN 61 Cb 1.71 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.55 1om2 h GLN 61 CO 0.13 1.19 -0.23 0.37 -1.93 0.00 0.00 178.83 178.37 1om2 h GLN 62 N 0.27 0.70 0.16 1.69 4.15 -0.99 -3.24 115.11 117.85 1om2 h GLN 62 Ca -0.10 -0.34 -0.29 0.00 0.77 0.00 0.00 58.65 58.68 1om2 h GLN 62 Cb 1.65 -0.00 0.02 0.00 0.21 0.00 0.00 27.48 29.36 1om2 h GLN 62 CO 0.18 0.95 -1.30 0.00 -1.93 0.00 0.00 178.83 176.73 1om2 h THR 63 N 0.46 1.42 -0.20 2.39 1.03 -1.41 -3.47 112.91 113.13 1om2 h THR 63 Ca 0.06 -2.89 0.26 0.00 -0.01 0.00 0.00 66.41 63.83 1om2 h THR 63 Cb 0.78 2.93 -0.20 0.00 -1.07 0.00 0.00 68.15 70.59 1om2 h THR 63 CO 0.06 0.85 0.17 -0.22 -0.01 0.00 0.00 175.52 176.37 1om2 s LEU 64 N -7.36 -0.28 -0.42 0.00 2.96 -0.88 -5.09 118.68 107.60 1om2 s LEU 64 Ca -0.06 0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 1om2 s LEU 64 Cb 0.06 1.22 -0.09 0.00 0.50 0.00 0.00 46.19 47.89 1om2 s LEU 64 CO 0.91 -0.05 2.33 -0.81 -1.32 0.00 0.00 176.35 177.40 1om2 n PRO 65 N 5.40 1.22 -2.66 0.98 -0.04 -1.22 -4.47 135.00 134.19 1om2 n PRO 65 Ca -0.04 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 1om2 n PRO 65 Cb 0.55 -2.95 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 1om2 n PRO 65 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1om2 s PRO 66 N 7.26 4.42 0.26 0.54 0.02 -1.26 -4.92 135.00 141.31 1om2 s PRO 66 Ca 1.06 1.42 0.06 0.00 0.02 0.00 0.00 61.00 63.56 1om2 s PRO 66 Cb -0.50 -3.54 0.33 0.00 0.02 0.00 0.00 34.50 30.81 1om2 s PRO 66 CO 0.37 -0.31 1.61 -1.00 -0.33 0.00 0.00 177.00 177.33 1om2 h PRO 67 N 7.11 0.19 -0.50 5.54 0.13 -2.01 -2.95 132.00 139.51 1om2 h PRO 67 Ca -0.32 -0.12 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 1om2 h PRO 67 Cb 1.15 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1om2 h PRO 67 CO 0.85 0.70 0.19 0.28 -0.23 0.00 0.00 178.00 179.78 1om2 h VAL 68 N 0.14 0.84 -0.78 1.56 2.07 -1.99 -1.72 116.25 116.37 1om2 h VAL 68 Ca -0.00 -0.13 0.18 0.00 0.82 0.00 0.00 66.70 67.57 1om2 h VAL 68 Cb 1.03 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 1om2 h VAL 68 CO 0.08 0.07 0.22 0.15 0.02 0.00 0.00 177.57 178.11 1om2 h PHE 69 N 0.37 0.35 -0.56 1.57 3.57 -1.92 0.29 116.94 120.60 1om2 h PHE 69 Ca 0.24 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1om2 h PHE 69 Cb 0.25 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1om2 h PHE 69 CO -0.16 -0.09 0.25 0.37 -2.23 0.00 0.00 178.31 176.46 1om2 h GLN 70 N 0.29 0.79 -0.02 1.11 4.15 -1.39 -0.64 115.11 119.41 1om2 h GLN 70 Ca 0.46 -0.10 -0.16 0.00 0.77 0.00 0.00 58.65 59.61 1om2 h GLN 70 Cb 0.81 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1om2 h GLN 70 CO -0.53 0.63 -0.74 0.00 -1.93 0.00 0.00 178.83 176.25 1om2 h MET 71 N 0.79 0.12 -0.66 1.69 -0.00 -0.47 -2.15 114.93 114.25 1om2 h MET 71 Ca 0.19 -0.11 -0.03 0.00 -0.00 0.00 0.00 59.70 59.76 1om2 h MET 71 Cb 0.11 0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 31.70 1om2 h MET 71 CO -0.02 0.80 0.31 1.25 -0.00 0.00 0.00 176.91 179.25 1om2 h LEU 72 N 0.08 0.86 -1.55 -0.10 5.85 0.36 0.34 115.31 121.14 1om2 h LEU 72 Ca -0.02 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1om2 h LEU 72 Cb 1.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1om2 h LEU 72 CO 0.11 0.76 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.66 1om2 h LEU 73 N 0.91 0.00 0.00 2.25 3.38 -0.84 -1.89 115.31 119.12 1om2 h LEU 73 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1om2 h LEU 73 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1om2 h LEU 73 CO -0.03 0.23 -1.10 0.00 0.09 0.00 0.00 178.44 177.63 1om2 h THR 74 N 0.00 0.38 0.10 0.22 1.03 -0.71 -3.36 112.91 110.57 1om2 h THR 74 Ca -0.00 -1.69 -0.28 0.00 -0.01 0.00 0.00 66.41 64.43 1om2 h THR 74 Cb 0.47 1.93 0.02 0.00 -1.07 0.00 0.00 68.15 69.50 1om2 h THR 74 CO 0.03 0.22 -1.19 0.11 -0.01 0.00 0.00 175.52 174.68 1om2 h LYS 75 N 0.00 0.47 0.22 0.00 1.79 0.04 -3.36 116.57 115.72 1om2 h LYS 75 Ca -0.09 -0.65 0.01 0.00 -2.18 0.00 0.00 60.65 57.74 1om2 h LYS 75 Cb 1.36 0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 32.19 1om2 h LYS 75 CO 0.03 1.27 -0.52 -0.07 -1.08 0.00 0.00 179.45 179.08 1om2 h LEU 76 N 0.20 -1.54-10.56 2.94 3.38 -1.50 -3.44 115.31 104.79 1om2 h LEU 76 Ca -0.15 0.15 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1om2 h LEU 76 Cb 1.87 0.56 0.16 0.00 0.09 0.00 0.00 40.66 43.33 1om2 h LEU 76 CO 0.21 -0.59 0.28 -2.16 0.09 0.00 0.00 178.44 176.28 1om2 s PRO 77 N -5.77 0.21 0.00 1.13 0.04 -1.26 -5.02 135.00 124.33 1om2 s PRO 77 Ca -0.17 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1om2 s PRO 77 Cb 0.06 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1om2 s PRO 77 CO 0.60 -2.76 0.00 2.41 0.04 0.00 0.00 177.00 177.29 1om2 n THR 78 N -4.09 0.00 -0.06 1.26 -1.04 -1.26 -4.81 114.28 104.27 1om2 n THR 78 Ca 0.11 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.04 1om2 n THR 78 Cb 0.59 -0.17 -0.02 0.00 -1.82 0.00 0.00 70.33 68.92 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 1.00 -0.47 12.58 5.03 -1.99 -1.98 117.51 131.68 1om2 h ILE 79 Ca 0.00 -0.09 0.09 0.00 -0.12 0.00 0.00 64.86 64.74 1om2 h ILE 79 Cb 0.00 0.71 -0.08 0.00 -3.03 0.00 0.00 36.82 34.42 1om2 h ILE 79 CO 0.00 0.05 0.00 -1.28 -0.68 0.00 0.00 178.15 176.24 1om2 h SER 80 N 0.27 -0.19 -0.84 1.72 0.87 -1.99 -0.27 113.55 113.12 1om2 h SER 80 Ca 0.10 0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 1om2 h SER 80 Cb 0.02 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 1om2 h SER 80 CO -0.07 -0.06 0.51 -0.61 -0.53 0.00 0.00 176.83 176.07 1om2 h GLN 81 N 0.12 0.87 -0.65 2.24 4.15 -1.77 -2.39 115.11 117.68 1om2 h GLN 81 Ca 0.23 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 1om2 h GLN 81 Cb 0.34 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1om2 h GLN 81 CO -0.38 0.58 0.21 -0.09 -1.93 0.00 0.00 178.83 177.22 1om2 h ARG 82 N 0.90 1.01 0.08 1.69 2.43 -0.35 0.07 114.38 120.21 1om2 h ARG 82 Ca 0.38 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1om2 h ARG 82 Cb 0.23 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1om2 h ARG 82 CO -0.20 0.88 -0.04 0.82 -1.51 0.00 0.00 179.97 179.93 1om2 h ILE 83 N 0.94 0.96 -0.52 1.20 1.08 -0.80 -2.49 117.51 117.88 1om2 h ILE 83 Ca 0.21 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.63 1om2 h ILE 83 Cb 0.28 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 1om2 h ILE 83 CO -0.01 0.03 0.24 0.58 -0.69 0.00 0.00 178.15 178.30 1om2 h VAL 84 N -0.15 0.91 0.00 1.67 2.07 -1.37 -1.29 116.25 118.09 1om2 h VAL 84 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1om2 h VAL 84 Cb 0.12 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1om2 h VAL 84 CO 0.02 0.08 0.00 -1.20 0.02 0.00 0.00 177.57 176.49 1om2 n SER 85 N -4.92 4.62 -1.92 0.57 7.64 0.00 -2.81 113.62 116.80 1om2 n SER 85 Ca 0.05 -2.27 -0.01 0.00 1.01 0.00 0.00 58.87 57.65 1om2 n SER 85 Cb 0.16 -0.94 0.05 0.00 -1.01 0.00 0.00 64.21 62.48 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 1.23 0.51 -1.24 -0.43 0.00 -0.50 -4.91 120.51 115.17 1om2 n ALA 86 Ca 0.00 -0.48 -0.36 0.00 0.00 0.00 0.00 53.44 52.60 1om2 n ALA 86 Cb 0.49 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.68 2.70 0.00 0.00 7.27 -1.12 -1.58 117.38 123.97 1om2 n GLN 87 Ca -0.09 -2.04 0.00 0.00 0.07 0.00 0.00 57.00 54.93 1om2 n GLN 87 Cb 0.66 -2.85 0.00 0.00 2.41 0.00 0.00 30.24 30.46 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 5.03 0.00 -2.35 1.69 7.64 -1.26 -4.98 113.62 119.39 1om2 n SER 88 Ca 0.58 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 60.17 1om2 n SER 88 Cb 0.27 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.50 1om2 n SER 88 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1om2 n LEU 89 N 0.00 5.69 0.00 -3.43 4.77 -0.88 -4.74 117.00 118.41 1om2 n LEU 89 Ca 0.00 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 1om2 n LEU 89 Cb 0.00 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1om2 n LEU 89 CO 0.00 2.00 0.00 0.61 -1.33 0.00 0.00 177.39 178.67 1om2 n GLY 90 N -0.65 -0.03 3.82 -0.72 0.00 -0.61 -4.88 105.19 102.12 1om2 n GLY 90 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 1om2 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1om2 s GLU 91 N -0.52 4.14 -0.30 1.61 2.12 -1.26 -5.03 118.70 119.46 1om2 s GLU 91 Ca 0.00 1.12 -0.23 0.00 0.36 0.00 0.00 54.97 56.22 1om2 s GLU 91 Cb 0.00 -2.16 -0.00 0.00 0.26 0.00 0.00 34.13 32.22 1om2 s GLU 91 CO 0.00 -0.11 0.75 0.34 -0.54 0.00 0.00 175.26 175.70 1om2 s ASP 92 N -2.30 6.62 0.83 -1.70 2.15 -1.26 -4.90 116.67 116.11 1om2 s ASP 92 Ca 0.62 0.61 -0.12 0.00 0.43 0.00 0.00 52.55 54.09 1om2 s ASP 92 Cb -0.10 -2.39 0.10 0.00 -0.30 0.00 0.00 42.92 40.23 1om2 s ASP 92 CO 0.17 -0.57 1.19 1.51 -0.17 0.00 0.00 175.17 177.30 1om2 s ASP 93 N 1.61 4.29 -0.04 -0.34 -4.77 -1.26 -5.10 116.67 111.06 1om2 s ASP 93 Ca 0.30 0.73 -0.01 0.00 -3.30 0.00 0.00 52.55 50.27 1om2 s ASP 93 Cb -0.14 -1.17 0.03 0.00 -1.09 0.00 0.00 42.92 40.54 1om2 s ASP 93 CO 0.12 -2.04 0.03 -0.69 0.70 0.00 0.00 175.17 173.30 1om2 s VAL 94 N -3.60 0.06 0.00 2.11 1.01 -1.26 -5.28 120.40 113.44 1om2 s VAL 94 Ca 0.63 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1om2 s VAL 94 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1om2 s VAL 94 CO 0.50 0.19 0.00 -0.62 0.00 0.00 0.00 175.10 175.16