#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 3.21 0.00 7.54 0.00 -1.26 -4.83 121.76 126.42 1om2 s ALA 2 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1om2 s ALA 2 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1om2 s ALA 2 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1om2 n GLY 3 N -1.79 3.89 0.97 0.00 0.00 -1.26 -4.99 105.19 102.02 1om2 n GLY 3 Ca 0.04 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1om2 n GLY 3 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1om2 n LEU 4 N 0.00 -0.64 -0.75 0.99 7.94 -1.26 -5.07 117.00 118.21 1om2 n LEU 4 Ca 0.00 1.48 0.10 0.00 -1.11 0.00 0.00 56.01 56.48 1om2 n LEU 4 Cb 0.00 -2.63 -0.04 0.00 0.53 0.00 0.00 43.42 41.29 1om2 n LEU 4 CO 0.00 -1.75 -0.26 -1.20 -1.11 0.00 0.00 177.39 173.08 1om2 n SER 5 N -3.65 -4.47 -3.88 1.96 7.64 -1.26 -4.88 113.62 105.07 1om2 n SER 5 Ca -0.04 0.58 -0.29 0.00 1.01 0.00 0.00 58.87 60.12 1om2 n SER 5 Cb 0.46 -2.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.19 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 -3.41 -2.36 -3.28 1.43 4.01 -1.26 -3.39 118.16 109.90 1om2 n LYS 6 Ca -0.03 0.39 -0.15 0.00 -0.51 0.00 0.00 58.31 58.02 1om2 n LYS 6 Cb 0.35 -4.22 0.01 0.00 -0.51 0.00 0.00 35.03 30.66 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 -4.39 -5.07 0.00 -0.35 4.77 -1.26 -5.02 117.00 105.68 1om2 n LEU 7 Ca -0.23 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1om2 n LEU 7 Cb 0.65 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 1om2 n LEU 7 CO 0.73 -0.82 0.00 -0.81 -1.33 0.00 0.00 177.39 175.16 1om2 n PRO 8 N -1.43 0.00 0.14 3.23 -0.04 -1.22 -4.67 135.00 131.00 1om2 n PRO 8 Ca -0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1om2 n PRO 8 Cb 0.57 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.18 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 -3.47 116.42 118.12 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 0.61 0.00 -0.11 -2.88 0.00 0.00 179.24 176.86 1om2 n LEU 10 N -3.58 0.01 0.07 2.28 0.00 -1.26 -4.83 117.00 109.69 1om2 n LEU 10 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.93 1om2 n LEU 10 Cb 0.66 -0.17 -0.10 0.00 0.00 0.00 0.00 43.42 43.81 1om2 n LEU 10 CO 0.41 -0.01 0.15 0.11 0.00 0.00 0.00 177.39 178.06 1om2 h LYS 11 N 1.42 0.02 -6.81 1.96 6.56 -2.00 -3.46 116.57 114.25 1om2 h LYS 11 Ca 0.00 -0.03 -0.48 0.00 -1.06 0.00 0.00 60.65 59.08 1om2 h LYS 11 Cb 0.00 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1om2 h LYS 11 CO 0.00 0.99 0.36 -0.51 -2.06 0.00 0.00 179.45 178.24 1om2 s ASP 12 N -6.75 7.46 0.07 0.86 1.01 -1.26 -4.98 116.67 113.08 1om2 s ASP 12 Ca 0.01 1.95 -0.15 0.00 0.71 0.00 0.00 52.55 55.06 1om2 s ASP 12 Cb 0.10 -2.60 -0.18 0.00 1.01 0.00 0.00 42.92 41.25 1om2 s ASP 12 CO 0.82 0.02 1.25 0.00 0.21 0.00 0.00 175.17 177.47 1om2 h ALA 13 N 3.70 0.24 -0.55 5.23 0.00 -1.99 -2.67 119.26 123.22 1om2 h ALA 13 Ca -0.46 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 53.82 1om2 h ALA 13 Cb 1.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1om2 h ALA 13 CO 0.67 0.56 0.14 1.05 0.00 0.00 0.00 179.25 181.67 1om2 h GLU 14 N 0.35 0.84 -0.19 0.00 4.11 -1.98 0.22 114.58 117.93 1om2 h GLU 14 Ca -0.06 -0.17 -0.16 0.00 0.07 0.00 0.00 59.36 59.05 1om2 h GLU 14 Cb 1.35 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1om2 h GLU 14 CO 0.14 0.75 -0.53 0.00 0.07 0.00 0.00 179.01 179.45 1om2 h ALA 15 N 1.34 0.72 -0.06 1.06 0.00 -1.98 0.20 119.26 120.54 1om2 h ALA 15 Ca 0.18 -0.50 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 1om2 h ALA 15 Cb 0.29 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1om2 h ALA 15 CO -0.00 0.68 -0.92 0.28 0.00 0.00 0.00 179.25 179.29 1om2 h VAL 16 N 0.43 1.29 -0.19 0.00 2.07 -1.13 -1.58 116.25 117.15 1om2 h VAL 16 Ca 0.01 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 1om2 h VAL 16 Cb 1.07 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1om2 h VAL 16 CO 0.10 0.67 -0.00 -0.61 0.02 0.00 0.00 177.57 177.75 1om2 h GLN 17 N 0.43 0.34 -0.41 1.57 5.75 -0.49 0.83 115.11 123.13 1om2 h GLN 17 Ca -0.09 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.22 1om2 h GLN 17 Cb 1.56 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.06 1om2 h GLN 17 CO 0.18 0.55 -0.07 1.57 -2.65 0.00 0.00 178.83 178.41 1om2 h LYS 18 N 0.09 0.70 -0.13 1.69 5.09 -0.97 -1.12 116.57 121.92 1om2 h LYS 18 Ca 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 60.65 60.55 1om2 h LYS 18 Cb 0.40 -0.07 -0.00 0.00 0.10 0.00 0.00 32.23 32.65 1om2 h LYS 18 CO 0.01 0.76 -0.09 0.35 -2.09 0.00 0.00 179.45 178.40 1om2 h PHE 19 N 0.65 0.33 -0.35 0.07 3.57 -1.18 0.13 116.94 120.16 1om2 h PHE 19 Ca 0.12 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1om2 h PHE 19 Cb 0.50 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1om2 h PHE 19 CO 0.02 0.65 -0.06 0.35 -2.23 0.00 0.00 178.31 177.04 1om2 h PHE 20 N -0.08 -0.14 -0.28 0.41 3.57 -0.63 0.63 116.94 120.43 1om2 h PHE 20 Ca 0.03 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1om2 h PHE 20 Cb 0.58 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1om2 h PHE 20 CO 0.08 -0.13 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.79 1om2 h LEU 21 N 0.03 0.48 -1.11 0.59 3.38 -1.21 -1.03 115.31 116.44 1om2 h LEU 21 Ca 0.17 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1om2 h LEU 21 Cb 0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1om2 h LEU 21 CO -0.34 0.66 0.60 -0.08 0.09 0.00 0.00 178.44 179.38 1om2 h GLU 22 N 0.45 1.06 0.18 1.13 4.81 0.15 -0.32 114.58 122.04 1om2 h GLU 22 Ca 0.08 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.01 1om2 h GLU 22 Cb 0.55 -0.24 0.03 0.00 0.63 0.00 0.00 28.75 29.72 1om2 h GLU 22 CO 0.04 0.70 -1.03 0.93 -0.73 0.00 0.00 179.01 178.92 1om2 h GLU 23 N 1.10 0.38 -0.53 1.92 5.08 -0.83 0.15 114.58 121.84 1om2 h GLU 23 Ca 0.39 -0.65 0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1om2 h GLU 23 Cb 0.14 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 1om2 h GLU 23 CO -0.14 1.31 0.07 0.82 -1.00 0.00 0.00 179.01 180.07 1om2 h ILE 24 N -0.21 0.65 0.00 3.13 2.04 -0.96 0.19 117.51 122.35 1om2 h ILE 24 Ca -0.18 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1om2 h ILE 24 Cb 1.81 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1om2 h ILE 24 CO 0.19 0.04 -0.04 1.56 0.00 0.00 0.00 178.15 179.90 1om2 h GLN 25 N 0.19 0.03 -0.51 2.37 4.20 -1.12 -2.34 115.11 117.93 1om2 h GLN 25 Ca 0.27 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.03 1om2 h GLN 25 Cb 0.40 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 1om2 h GLN 25 CO -0.39 0.82 0.17 1.25 -0.67 0.00 0.00 178.83 180.01 1om2 h LEU 26 N -0.76 0.15 0.64 1.46 7.12 -0.57 0.69 115.31 124.04 1om2 h LEU 26 Ca -0.01 0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 1om2 h LEU 26 Cb 0.84 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1om2 h LEU 26 CO 0.01 0.11 -0.33 1.23 -0.13 0.00 0.00 178.44 179.33 1om2 h GLY 27 N 0.33 -0.96 -0.37 3.75 0.00 -0.72 0.11 103.07 105.20 1om2 h GLY 27 Ca 0.25 0.37 0.23 0.00 0.00 0.00 0.00 47.33 48.18 1om2 h GLY 27 CO -0.26 -0.34 0.30 -2.09 0.00 0.00 0.00 176.54 174.14 1om2 h GLU 28 N -0.88 0.26 -0.32 4.80 4.81 -1.10 0.28 114.58 122.43 1om2 h GLU 28 Ca -0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1om2 h GLU 28 Cb 0.68 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1om2 h GLU 28 CO 0.13 0.17 0.16 1.49 -0.73 0.00 0.00 179.01 180.24 1om2 h GLU 29 N 0.27 0.46 -0.90 1.92 4.81 -0.61 0.27 114.58 120.80 1om2 h GLU 29 Ca 0.56 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1om2 h GLU 29 Cb 1.12 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 1om2 h GLU 29 CO -0.61 0.41 0.48 -0.07 -0.73 0.00 0.00 179.01 178.49 1om2 h LEU 30 N 0.39 1.13 -1.23 1.64 3.38 0.11 -0.84 115.31 119.88 1om2 h LEU 30 Ca 0.11 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1om2 h LEU 30 Cb 0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1om2 h LEU 30 CO -0.02 0.91 -0.30 -0.07 0.09 0.00 0.00 178.44 179.05 1om2 h LEU 31 N 1.26 0.14 -2.82 1.67 4.07 -0.62 0.12 115.31 119.12 1om2 h LEU 31 Ca 0.31 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1om2 h LEU 31 Cb 0.04 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1om2 h LEU 31 CO -0.05 0.44 0.01 0.00 -1.08 0.00 0.00 178.44 177.76 1om2 h ALA 32 N 1.57 1.16 0.08 1.53 0.00 0.99 -0.19 119.26 124.40 1om2 h ALA 32 Ca 0.02 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 1om2 h ALA 32 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1om2 h ALA 32 CO 0.04 -0.01 -2.04 0.94 0.00 0.00 0.00 179.25 178.18 1om2 n GLN 33 N -3.29 0.72 0.00 0.00 0.00 0.02 -5.01 117.38 109.82 1om2 n GLN 33 Ca -0.03 0.24 0.00 0.00 -0.00 0.00 0.00 57.00 57.21 1om2 n GLN 33 Cb 0.08 -1.69 0.00 0.00 0.00 0.00 0.00 30.24 28.64 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 1.95 0.66 2.36 1.69 0.00 0.19 -5.07 105.19 106.98 1om2 n GLY 34 Ca -0.31 0.00 -0.30 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 7.13 -0.33 1.61 -0.08 -0.41 -4.74 116.55 119.73 1om2 n ASP 35 Ca 0.00 -2.94 0.17 0.00 -1.51 0.00 0.00 54.79 50.51 1om2 n ASP 35 Cb 0.00 -1.36 0.34 0.00 2.34 0.00 0.00 41.12 42.43 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 3.84 0.13 -0.96 -0.67 0.05 -1.88 0.77 116.97 118.26 1om2 h TYR 36 Ca 0.54 0.06 0.01 0.00 0.05 0.00 0.00 58.73 59.39 1om2 h TYR 36 Cb 0.66 0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.46 1om2 h TYR 36 CO 1.64 -0.41 0.63 0.93 -1.05 0.00 0.00 178.16 179.89 1om2 h GLU 37 N 0.03 1.27 -0.02 4.88 5.08 -2.00 -0.61 114.58 123.21 1om2 h GLU 37 Ca 0.63 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.76 1om2 h GLU 37 Cb 1.37 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1om2 h GLU 37 CO -0.87 0.85 -0.67 0.87 -1.00 0.00 0.00 179.01 178.19 1om2 h LYS 38 N 1.31 0.12 -0.46 2.33 1.79 -1.27 -2.90 116.57 117.48 1om2 h LYS 38 Ca 0.35 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.66 1om2 h LYS 38 Cb -0.13 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1om2 h LYS 38 CO -0.07 0.74 -0.01 0.78 -1.08 0.00 0.00 179.45 179.81 1om2 h GLY 39 N 1.78 0.83 1.00 3.86 0.00 -0.53 -0.24 103.07 109.77 1om2 h GLY 39 Ca -0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1om2 h GLY 39 CO 0.10 0.51 0.38 -2.08 0.00 0.00 0.00 176.54 175.45 1om2 h VAL 40 N 0.72 1.18 0.30 4.60 2.07 -0.97 0.22 116.25 124.38 1om2 h VAL 40 Ca 0.14 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1om2 h VAL 40 Cb 0.45 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1om2 h VAL 40 CO 0.02 0.19 -0.15 -0.78 0.02 0.00 0.00 177.57 176.87 1om2 h ASP 41 N 0.86 -0.34 -0.18 0.57 3.58 -1.33 0.05 116.42 119.61 1om2 h ASP 41 Ca 0.23 -0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 1om2 h ASP 41 Cb -0.03 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1om2 h ASP 41 CO -0.04 -0.08 -0.05 0.45 -2.88 0.00 0.00 179.24 176.64 1om2 h HIS 42 N -0.61 0.53 -0.11 0.28 3.86 -0.94 0.63 115.15 118.77 1om2 h HIS 42 Ca -0.04 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 1om2 h HIS 42 Cb 0.44 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1om2 h HIS 42 CO -0.00 0.55 -0.23 1.25 0.86 0.00 0.00 177.93 180.36 1om2 h LEU 43 N 0.47 0.40 -1.09 2.43 5.85 -0.53 -1.20 115.31 121.64 1om2 h LEU 43 Ca 0.10 -0.56 0.18 0.00 0.84 0.00 0.00 57.88 58.43 1om2 h LEU 43 Cb 0.39 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 1om2 h LEU 43 CO 0.02 0.89 0.61 0.74 -0.34 0.00 0.00 178.44 180.36 1om2 h THR 44 N -0.07 0.75 -0.38 1.05 2.02 -0.27 0.93 112.91 116.94 1om2 h THR 44 Ca 0.00 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1om2 h THR 44 Cb 0.82 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1om2 h THR 44 CO 0.05 0.14 0.01 0.78 0.37 0.00 0.00 175.52 176.87 1om2 h ASN 45 N 0.76 0.65 -0.56 4.18 2.35 -0.74 -0.83 115.58 121.40 1om2 h ASN 45 Ca 0.54 -0.30 0.08 0.00 -0.55 0.00 0.00 56.30 56.07 1om2 h ASN 45 Cb 0.84 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 1om2 h ASN 45 CO -0.32 0.79 0.21 0.00 -1.65 0.00 0.00 177.43 176.46 1om2 h ALA 46 N 0.88 0.70 -0.61 -0.83 0.00 0.41 0.08 119.26 119.89 1om2 h ALA 46 Ca 0.11 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1om2 h ALA 46 Cb 0.45 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1om2 h ALA 46 CO 0.02 -0.19 0.24 0.82 0.00 0.00 0.00 179.25 180.13 1om2 h ILE 47 N 0.39 1.22 -0.10 0.00 5.03 -0.94 -0.05 117.51 123.06 1om2 h ILE 47 Ca 0.27 -0.68 -0.04 0.00 -0.12 0.00 0.00 64.86 64.30 1om2 h ILE 47 Cb 0.31 0.49 -0.01 0.00 -3.03 0.00 0.00 36.82 34.58 1om2 h ILE 47 CO -0.27 0.27 -0.11 0.00 -0.68 0.00 0.00 178.15 177.36 1om2 h ALA 48 N 1.39 1.63 0.00 1.87 0.00 0.47 0.50 119.26 125.12 1om2 h ALA 48 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1om2 h ALA 48 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1om2 h ALA 48 CO -0.02 0.27 -1.59 1.33 0.00 0.00 0.00 179.25 179.24 1om2 n VAL 49 N -4.33 0.02 -0.09 0.00 0.24 -0.69 -4.52 118.33 108.97 1om2 n VAL 49 Ca -0.01 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.34 61.79 1om2 n VAL 49 Cb 0.23 0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 32.82 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 1.52 0.69 2.40 0.00 0.00 0.13 -4.93 105.19 105.00 1om2 n GLY 51 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.59 1.67 -0.01 1.61 -0.06 -1.26 -4.99 117.38 111.75 1om2 n GLN 52 Ca 0.00 -3.89 -0.10 0.00 -2.00 0.00 0.00 57.00 51.02 1om2 n GLN 52 Cb 0.00 -1.79 -0.03 0.00 -4.06 0.00 0.00 30.24 24.36 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 3.44 -0.32 -0.37 3.69 0.13 -1.92 -2.80 132.00 133.85 1om2 h PRO 53 Ca 0.12 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.32 1om2 h PRO 53 Cb 0.79 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 1om2 h PRO 53 CO 0.62 -0.21 0.10 1.96 -0.23 0.00 0.00 178.00 180.24 1om2 h GLN 54 N -0.33 0.23 -0.66 0.86 4.20 -1.98 0.22 115.11 117.64 1om2 h GLN 54 Ca 0.11 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1om2 h GLN 54 Cb 0.50 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1om2 h GLN 54 CO -0.34 0.15 0.37 0.37 -0.67 0.00 0.00 178.83 178.72 1om2 h GLN 55 N 0.24 0.68 -0.55 1.46 5.75 -1.97 -0.41 115.11 120.30 1om2 h GLN 55 Ca 0.17 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1om2 h GLN 55 Cb 0.18 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1om2 h GLN 55 CO -0.20 0.45 0.18 1.25 -2.65 0.00 0.00 178.83 177.86 1om2 h LEU 56 N 0.70 0.79 -1.17 -2.39 5.85 -1.05 -0.30 115.31 117.74 1om2 h LEU 56 Ca 0.29 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1om2 h LEU 56 Cb 0.16 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1om2 h LEU 56 CO -0.17 0.78 0.27 -0.07 -0.34 0.00 0.00 178.44 178.91 1om2 h LEU 57 N 0.76 0.77 -0.29 2.25 3.38 0.35 0.14 115.31 122.67 1om2 h LEU 57 Ca 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1om2 h LEU 57 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1om2 h LEU 57 CO -0.01 0.67 0.08 1.56 0.09 0.00 0.00 178.44 180.83 1om2 h GLN 58 N 0.84 0.45 -0.80 1.13 1.08 -0.77 -0.35 115.11 116.70 1om2 h GLN 58 Ca 0.21 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 1om2 h GLN 58 Cb 0.12 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1om2 h GLN 58 CO -0.02 0.52 0.53 -0.24 -0.95 0.00 0.00 178.83 178.66 1om2 h VAL 59 N 0.30 1.08 0.00 -0.54 3.04 -0.04 -1.34 116.25 118.74 1om2 h VAL 59 Ca 0.09 -0.32 -0.08 0.00 -1.01 0.00 0.00 66.70 65.38 1om2 h VAL 59 Cb 0.26 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.60 1om2 h VAL 59 CO -0.00 0.17 -0.40 -0.07 -1.01 0.00 0.00 177.57 176.26 1om2 h LEU 60 N 0.92 0.00 0.00 3.16 -0.00 -0.46 -2.99 115.31 115.94 1om2 h LEU 60 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1om2 h LEU 60 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1om2 h LEU 60 CO -0.11 0.40 -0.16 1.67 -0.00 0.00 0.00 178.44 180.24 1om2 n GLN 61 N -3.25 0.03 -0.05 1.13 7.27 -0.17 -3.67 117.38 118.68 1om2 n GLN 61 Ca 0.02 0.02 -0.13 0.00 0.07 0.00 0.00 57.00 56.98 1om2 n GLN 61 Cb 0.66 -1.53 -0.14 0.00 2.41 0.00 0.00 30.24 31.64 1om2 n GLN 61 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1om2 n GLN 62 N -1.58 0.68 0.09 3.69 7.27 -0.76 -4.49 117.38 122.27 1om2 n GLN 62 Ca 0.06 0.19 -0.22 0.00 0.07 0.00 0.00 57.00 57.10 1om2 n GLN 62 Cb 0.35 -1.67 -0.15 0.00 2.41 0.00 0.00 30.24 31.19 1om2 n GLN 62 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1om2 h THR 63 N 0.01 1.40 -1.89 1.69 1.03 -1.64 -3.48 112.91 110.04 1om2 h THR 63 Ca -0.42 -2.55 0.04 0.00 -0.01 0.00 0.00 66.41 63.46 1om2 h THR 63 Cb 2.07 3.05 -0.20 0.00 -1.07 0.00 0.00 68.15 72.00 1om2 h THR 63 CO 0.05 0.75 0.41 -1.48 -0.01 0.00 0.00 175.52 175.23 1om2 s LEU 64 N -7.82 -0.47 -0.18 0.00 -0.00 -1.24 -5.13 118.68 103.84 1om2 s LEU 64 Ca -0.11 0.42 -0.29 0.00 -0.00 0.00 0.00 54.13 54.14 1om2 s LEU 64 Cb 0.03 2.14 -0.03 0.00 -0.00 0.00 0.00 46.19 48.32 1om2 s LEU 64 CO 0.88 -0.50 1.63 -2.16 -0.00 0.00 0.00 176.35 176.20 1om2 s PRO 65 N -1.58 3.88 -0.51 1.48 0.04 -1.26 -4.34 135.00 132.70 1om2 s PRO 65 Ca -0.04 1.80 -0.25 0.00 0.04 0.00 0.00 61.00 62.56 1om2 s PRO 65 Cb -0.00 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.54 1om2 s PRO 65 CO 0.02 -1.19 0.94 -1.25 0.04 0.00 0.00 177.00 175.55 1om2 s PRO 66 N 4.54 3.42 0.13 0.56 0.04 -1.26 -4.91 135.00 137.52 1om2 s PRO 66 Ca 0.72 -0.06 0.27 0.00 0.04 0.00 0.00 61.00 61.97 1om2 s PRO 66 Cb -0.27 -3.99 0.91 0.00 0.04 0.00 0.00 34.50 31.19 1om2 s PRO 66 CO 0.29 -1.37 1.78 -0.35 0.04 0.00 0.00 177.00 177.40 1om2 n PRO 67 N 7.34 0.17 -0.01 0.56 -0.04 -1.26 -3.47 135.00 138.29 1om2 n PRO 67 Ca 0.04 0.13 -0.17 0.00 -0.04 0.00 0.00 63.50 63.46 1om2 n PRO 67 Cb 0.48 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 1om2 n PRO 67 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1om2 h VAL 68 N 0.00 1.64 -0.97 0.52 2.07 -1.98 -3.35 116.25 114.17 1om2 h VAL 68 Ca 0.00 -2.37 0.18 0.00 0.82 0.00 0.00 66.70 65.33 1om2 h VAL 68 Cb 0.65 3.22 -0.17 0.00 -1.52 0.00 0.00 31.29 33.46 1om2 h VAL 68 CO 0.00 0.64 -0.30 0.33 0.02 0.00 0.00 177.57 178.27 1om2 n PHE 69 N -4.39 0.23 0.04 1.57 7.35 -1.23 0.22 117.46 121.25 1om2 n PHE 69 Ca -0.12 1.19 0.04 0.00 -0.76 0.00 0.00 57.45 57.81 1om2 n PHE 69 Cb 0.63 -0.99 0.44 0.00 0.35 0.00 0.00 39.48 39.91 1om2 n PHE 69 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1om2 h GLN 70 N 0.00 0.45 0.02 -4.13 3.07 -1.70 -0.22 115.11 112.60 1om2 h GLN 70 Ca 0.42 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 58.92 1om2 h GLN 70 Cb 0.66 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.11 1om2 h GLN 70 CO -0.99 0.33 -0.94 0.52 0.09 0.00 0.00 178.83 177.84 1om2 h MET 71 N 0.46 0.10 -0.51 0.06 2.86 -0.37 -2.24 114.93 115.28 1om2 h MET 71 Ca 0.12 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1om2 h MET 71 Cb 0.01 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1om2 h MET 71 CO -0.02 0.96 0.26 1.25 1.06 0.00 0.00 176.91 180.42 1om2 h LEU 72 N 0.05 0.66 -1.51 1.22 5.85 0.55 0.35 115.31 122.48 1om2 h LEU 72 Ca -0.04 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1om2 h LEU 72 Cb 1.62 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1om2 h LEU 72 CO 0.13 0.59 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.50 1om2 h LEU 73 N 0.68 0.00 0.00 2.25 3.38 -0.96 -2.60 115.31 118.06 1om2 h LEU 73 Ca 0.18 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1om2 h LEU 73 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1om2 h LEU 73 CO -0.03 0.25 -1.11 0.00 0.09 0.00 0.00 178.44 177.65 1om2 h THR 74 N 0.00 0.44 -0.07 0.22 1.03 -0.83 -3.34 112.91 110.36 1om2 h THR 74 Ca -0.00 -1.79 -0.15 0.00 -0.01 0.00 0.00 66.41 64.46 1om2 h THR 74 Cb 0.48 1.99 -0.01 0.00 -1.07 0.00 0.00 68.15 69.54 1om2 h THR 74 CO 0.03 0.25 -0.60 0.11 -0.01 0.00 0.00 175.52 175.30 1om2 h LYS 75 N 0.00 0.25 0.10 0.00 1.79 0.06 -3.33 116.57 115.44 1om2 h LYS 75 Ca -0.09 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1om2 h LYS 75 Cb 1.41 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.07 1om2 h LYS 75 CO 0.04 0.78 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.97 1om2 h LEU 76 N 0.18 -0.42 -8.20 2.94 3.38 -1.61 -3.34 115.31 108.25 1om2 h LEU 76 Ca -0.01 0.04 -0.43 0.00 0.09 0.00 0.00 57.88 57.57 1om2 h LEU 76 Cb 1.11 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1om2 h LEU 76 CO 0.09 -0.18 1.07 -2.16 0.09 0.00 0.00 178.44 177.35 1om2 s PRO 77 N -3.79 2.97 -0.21 1.13 0.04 -1.25 -4.62 135.00 129.27 1om2 s PRO 77 Ca -0.05 -0.56 -0.10 0.00 0.04 0.00 0.00 61.00 60.33 1om2 s PRO 77 Cb 0.01 -5.11 -0.09 0.00 0.04 0.00 0.00 34.50 29.35 1om2 s PRO 77 CO 0.17 -2.86 -0.27 2.41 0.04 0.00 0.00 177.00 176.49 1om2 n THR 78 N 7.42 1.14 -0.15 1.26 -1.04 -1.26 -4.48 114.28 117.17 1om2 n THR 78 Ca 0.35 -0.29 -0.08 0.00 -2.04 0.00 0.00 64.05 61.99 1om2 n THR 78 Cb 0.49 -1.77 0.07 0.00 -1.82 0.00 0.00 70.33 67.29 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 -0.73 1.26 -0.66 12.58 5.03 -1.93 -3.13 117.51 129.93 1om2 h ILE 79 Ca -0.53 -1.21 0.14 0.00 -0.12 0.00 0.00 64.86 63.15 1om2 h ILE 79 Cb 1.47 0.96 -0.11 0.00 -3.03 0.00 0.00 36.82 36.12 1om2 h ILE 79 CO -0.32 0.42 0.07 -1.28 -0.68 0.00 0.00 178.15 176.37 1om2 h SER 80 N 0.84 -0.15 0.14 1.72 0.87 -1.92 0.13 113.55 115.16 1om2 h SER 80 Ca 0.14 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1om2 h SER 80 Cb 0.62 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1om2 h SER 80 CO 0.04 -0.08 -0.08 -0.61 -0.53 0.00 0.00 176.83 175.57 1om2 h GLN 81 N 0.18 0.00 0.00 2.24 5.75 -1.77 -0.74 115.11 120.77 1om2 h GLN 81 Ca 0.36 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.84 1om2 h GLN 81 Cb 0.59 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 1om2 h GLN 81 CO -0.51 0.08 -0.10 -0.09 -2.65 0.00 0.00 178.83 175.56 1om2 h ARG 82 N 0.00 0.00 0.00 1.69 2.43 -0.82 -3.40 114.38 114.28 1om2 h ARG 82 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1om2 h ARG 82 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1om2 h ARG 82 CO 0.01 0.10 0.00 -0.89 -1.51 0.00 0.00 179.97 177.68 1om2 n ILE 83 N -3.37 0.00 0.00 1.20 2.08 -0.28 -4.75 119.36 114.23 1om2 n ILE 83 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1om2 n ILE 83 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 1om2 n ILE 83 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 1om2 n VAL 84 N 0.00 0.00 -1.03 1.39 3.14 -1.25 -4.59 118.33 115.99 1om2 n VAL 84 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 1om2 n VAL 84 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1om2 n VAL 84 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1om2 n SER 85 N 1.63 6.15 0.00 6.55 7.64 -1.26 -3.35 113.62 130.97 1om2 n SER 85 Ca 0.00 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1om2 n SER 85 Cb 0.00 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 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 0.96 0.00 -0.02 -0.43 0.00 -1.26 -4.50 120.51 115.26 1om2 n ALA 86 Ca 0.33 0.00 0.23 0.00 0.00 0.00 0.00 53.44 54.00 1om2 n ALA 86 Cb 0.61 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.78 1om2 n ALA 86 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1om2 h GLN 87 N 0.00 0.00 -0.26 0.00 4.15 -1.90 -0.35 115.11 116.76 1om2 h GLN 87 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 1om2 h GLN 87 Cb 0.00 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 27.33 1om2 h GLN 87 CO 0.00 0.00 -1.00 0.45 -1.93 0.00 0.00 178.83 176.35 1om2 n SER 88 N -4.01 1.72 -2.83 -0.69 2.88 -1.25 -5.00 113.62 104.43 1om2 n SER 88 Ca 0.12 -2.38 -0.12 0.00 -1.33 0.00 0.00 58.87 55.16 1om2 n SER 88 Cb 0.75 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 1om2 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1om2 n LEU 89 N -0.24 -0.24 -3.89 2.46 -0.00 -0.14 -0.94 117.00 114.01 1om2 n LEU 89 Ca 0.12 -0.08 -0.27 0.00 -0.00 0.00 0.00 56.01 55.78 1om2 n LEU 89 Cb 0.94 -1.02 0.01 0.00 -0.00 0.00 0.00 43.42 43.36 1om2 n LEU 89 CO 0.05 0.03 -0.06 0.61 -0.00 0.00 0.00 177.39 178.02 1om2 n GLY 90 N -0.61 -0.35 3.66 1.47 0.00 -1.26 -4.85 105.19 103.24 1om2 n GLY 90 Ca 0.03 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1om2 n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1om2 n GLU 91 N -4.44 1.38 -3.79 1.61 2.13 -0.12 -5.04 120.64 112.38 1om2 n GLU 91 Ca -0.16 0.51 -0.09 0.00 0.66 0.00 0.00 57.16 58.07 1om2 n GLU 91 Cb 0.62 -2.27 -0.06 0.00 0.27 0.00 0.00 31.44 30.00 1om2 n GLU 91 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1om2 s ASP 92 N -0.91 0.01 -1.48 4.31 2.15 -1.26 -5.06 116.67 114.42 1om2 s ASP 92 Ca 0.69 -0.55 -0.09 0.00 0.43 0.00 0.00 52.55 53.03 1om2 s ASP 92 Cb -0.47 0.38 0.02 0.00 -0.30 0.00 0.00 42.92 42.55 1om2 s ASP 92 CO 0.52 -0.77 2.59 -0.67 -0.17 0.00 0.00 175.17 176.67 1om2 n ASP 93 N -0.11 7.51 -4.77 -0.34 2.03 -1.26 -4.95 116.55 114.67 1om2 n ASP 93 Ca -0.15 -2.83 -0.39 0.00 0.52 0.00 0.00 54.79 51.93 1om2 n ASP 93 Cb 0.63 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.46 1om2 n ASP 93 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1om2 s VAL 94 N 1.16 4.25 0.00 5.18 0.11 -1.26 -5.38 120.40 124.46 1om2 s VAL 94 Ca 0.59 1.84 0.00 0.00 -2.93 0.00 0.00 61.98 61.48 1om2 s VAL 94 Cb 0.17 -4.20 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 1om2 s VAL 94 CO -0.07 0.49 0.00 1.21 -3.33 0.00 0.00 175.10 173.40