#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 3.96 0.80 7.54 0.00 -1.26 -5.05 121.76 127.74 1om2 s ALA 2 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.06 1om2 s ALA 2 Cb 0.00 -1.89 0.07 0.00 0.00 0.00 0.00 23.12 21.30 1om2 s ALA 2 CO 0.00 -1.24 1.09 0.20 0.00 0.00 0.00 175.76 175.81 1om2 s GLY 3 N -4.68 1.64 0.11 0.00 0.00 -1.26 -4.99 107.32 98.14 1om2 s GLY 3 Ca 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1om2 s GLY 3 CO 0.42 0.33 0.00 -0.10 0.00 0.00 0.00 173.10 173.76 1om2 n LEU 4 N -3.48 -0.66 0.00 0.66 0.00 -1.26 -5.14 117.00 107.12 1om2 n LEU 4 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 56.01 56.29 1om2 n LEU 4 Cb 0.55 0.82 0.00 0.00 0.00 0.00 0.00 43.42 44.79 1om2 n LEU 4 CO 0.56 -0.42 0.00 -1.54 0.00 0.00 0.00 177.39 175.99 1om2 n SER 5 N -2.78 1.80 -4.79 1.96 3.41 -1.26 -5.10 113.62 106.86 1om2 n SER 5 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1om2 n SER 5 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1om2 n SER 5 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1om2 s LYS 6 N 4.46 3.99 -1.31 4.33 1.02 -1.26 -4.46 119.74 126.52 1om2 s LYS 6 Ca 0.00 0.16 -0.22 0.00 0.02 0.00 0.00 55.97 55.93 1om2 s LYS 6 Cb 0.00 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1om2 s LYS 6 CO 0.00 0.48 0.51 1.28 -0.92 0.00 0.00 175.35 176.70 1om2 n LEU 7 N 2.72 -0.84 0.00 3.17 4.77 -1.26 -4.96 117.00 120.59 1om2 n LEU 7 Ca -0.14 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 1om2 n LEU 7 Cb 0.53 -1.74 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 1om2 n LEU 7 CO 0.37 0.67 0.00 -0.81 -1.33 0.00 0.00 177.39 176.29 1om2 n PRO 8 N -4.81 0.00 -0.22 3.23 -0.04 -1.26 -4.67 135.00 127.23 1om2 n PRO 8 Ca -0.18 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 1om2 n PRO 8 Cb 0.61 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.10 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 0.82 0.00 3.54 3.58 -1.94 -3.46 116.42 118.96 1om2 h ASP 9 Ca 0.00 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1om2 h ASP 9 Cb 0.00 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1om2 h ASP 9 CO 0.00 0.72 0.00 0.18 -2.88 0.00 0.00 179.24 177.26 1om2 n LEU 10 N -4.50 0.00 0.08 2.28 4.77 -1.26 -4.69 117.00 113.69 1om2 n LEU 10 Ca 0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1om2 n LEU 10 Cb 0.13 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1om2 n LEU 10 CO 0.38 0.00 0.32 0.11 -1.33 0.00 0.00 177.39 176.87 1om2 h LYS 11 N 0.36 0.21 -6.77 3.23 6.56 -1.98 -3.45 116.57 114.73 1om2 h LYS 11 Ca 0.00 -0.21 -0.49 0.00 -1.06 0.00 0.00 60.65 58.89 1om2 h LYS 11 Cb 0.00 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1om2 h LYS 11 CO 0.00 0.90 0.38 -0.51 -2.06 0.00 0.00 179.45 178.16 1om2 s ASP 12 N -6.92 7.55 0.07 0.86 1.01 -1.26 -4.97 116.67 113.01 1om2 s ASP 12 Ca -0.03 2.01 -0.19 0.00 0.71 0.00 0.00 52.55 55.05 1om2 s ASP 12 Cb 0.11 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.32 1om2 s ASP 12 CO 0.82 0.08 1.46 0.00 0.21 0.00 0.00 175.17 177.74 1om2 h ALA 13 N 4.03 0.28 -0.61 5.23 0.00 -1.99 -2.99 119.26 123.21 1om2 h ALA 13 Ca -0.45 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.25 1om2 h ALA 13 Cb 1.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1om2 h ALA 13 CO 0.68 0.06 0.40 0.93 0.00 0.00 0.00 179.25 181.32 1om2 h GLU 14 N 0.12 0.65 0.00 0.00 5.08 -1.98 0.30 114.58 118.75 1om2 h GLU 14 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1om2 h GLU 14 Cb 0.49 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1om2 h GLU 14 CO 0.02 0.43 -0.10 0.00 -1.00 0.00 0.00 179.01 178.36 1om2 h ALA 15 N 1.66 1.00 0.08 3.43 0.00 -1.93 -0.83 119.26 122.66 1om2 h ALA 15 Ca 0.25 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.73 1om2 h ALA 15 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1om2 h ALA 15 CO -0.07 0.13 -1.91 0.28 0.00 0.00 0.00 179.25 177.68 1om2 n VAL 16 N -3.22 1.71 -0.00 0.00 0.31 -0.11 -3.58 118.33 113.44 1om2 n VAL 16 Ca 0.01 -0.71 -0.13 0.00 -0.01 0.00 0.00 64.34 63.50 1om2 n VAL 16 Cb 0.39 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.78 1om2 n VAL 16 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1om2 h GLN 17 N 0.04 0.04 -0.40 5.55 5.75 -0.30 0.94 115.11 126.73 1om2 h GLN 17 Ca -0.38 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.18 1om2 h GLN 17 Cb 2.03 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 30.51 1om2 h GLN 17 CO 0.08 0.36 -0.01 1.57 -2.65 0.00 0.00 178.83 178.18 1om2 h LYS 18 N -0.28 0.09 -0.18 1.69 5.09 -1.32 -0.20 116.57 121.46 1om2 h LYS 18 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 60.69 1om2 h LYS 18 Cb 0.34 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 1om2 h LYS 18 CO 0.00 0.06 -0.07 0.35 -2.09 0.00 0.00 179.45 177.70 1om2 h PHE 19 N 0.10 0.42 -0.11 0.07 3.04 -1.60 0.45 116.94 119.31 1om2 h PHE 19 Ca 0.20 -0.10 0.04 0.00 3.98 0.00 0.00 57.97 62.09 1om2 h PHE 19 Cb 0.28 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 1om2 h PHE 19 CO -0.28 0.66 -0.13 0.35 -2.02 0.00 0.00 178.31 176.89 1om2 h PHE 20 N 0.07 -0.34 -0.48 0.41 3.57 -0.40 0.32 116.94 120.09 1om2 h PHE 20 Ca 0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1om2 h PHE 20 Cb 0.54 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1om2 h PHE 20 CO 0.06 -0.20 0.02 -0.07 -2.23 0.00 0.00 178.31 175.89 1om2 h LEU 21 N -0.17 0.74 -1.46 0.59 3.38 -1.06 -0.40 115.31 116.93 1om2 h LEU 21 Ca 0.08 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1om2 h LEU 21 Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1om2 h LEU 21 CO -0.21 0.80 0.37 -0.08 0.09 0.00 0.00 178.44 179.41 1om2 h GLU 22 N 0.73 0.72 0.07 1.13 4.81 0.29 -0.27 114.58 122.06 1om2 h GLU 22 Ca 0.15 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1om2 h GLU 22 Cb 0.42 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.65 1om2 h GLU 22 CO 0.02 0.48 -0.57 1.49 -0.73 0.00 0.00 179.01 179.69 1om2 h GLU 23 N 0.75 0.26 -0.27 1.92 4.81 -0.39 0.16 114.58 121.82 1om2 h GLU 23 Ca 0.21 -0.38 0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1om2 h GLU 23 Cb -0.06 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 1om2 h GLU 23 CO -0.05 1.13 -0.38 0.82 -0.73 0.00 0.00 179.01 179.80 1om2 h ILE 24 N -0.42 0.18 -0.09 2.32 2.04 -0.90 0.51 117.51 121.16 1om2 h ILE 24 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1om2 h ILE 24 Cb 1.39 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1om2 h ILE 24 CO 0.11 0.00 0.01 1.56 0.00 0.00 0.00 178.15 179.83 1om2 h GLN 25 N -0.37 0.14 -0.53 2.37 4.20 -1.10 -2.09 115.11 117.74 1om2 h GLN 25 Ca 0.12 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.86 1om2 h GLN 25 Cb 0.58 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 1om2 h GLN 25 CO -0.47 0.38 0.19 1.25 -0.67 0.00 0.00 178.83 179.50 1om2 h LEU 26 N -0.11 0.19 0.67 1.46 7.12 -0.38 0.16 115.31 124.43 1om2 h LEU 26 Ca 0.03 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.07 1om2 h LEU 26 Cb 0.30 0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1om2 h LEU 26 CO 0.00 0.13 -0.32 1.23 -0.13 0.00 0.00 178.44 179.35 1om2 h GLY 27 N 0.37 -0.94 -0.58 3.75 0.00 -0.88 0.11 103.07 104.89 1om2 h GLY 27 Ca 0.26 0.35 0.32 0.00 0.00 0.00 0.00 47.33 48.25 1om2 h GLY 27 CO -0.26 -0.34 0.49 0.83 0.00 0.00 0.00 176.54 177.26 1om2 h GLU 28 N -0.93 0.25 -0.35 4.80 5.08 -1.09 0.20 114.58 122.54 1om2 h GLU 28 Ca -0.09 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1om2 h GLU 28 Cb 0.69 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1om2 h GLU 28 CO 0.15 0.16 -0.26 1.49 -1.00 0.00 0.00 179.01 179.56 1om2 h GLU 29 N 0.26 0.79 -0.58 2.33 4.81 -0.46 0.50 114.58 122.22 1om2 h GLU 29 Ca 0.71 -0.38 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1om2 h GLU 29 Cb 1.64 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 1om2 h GLU 29 CO -0.65 1.01 0.08 -0.07 -0.73 0.00 0.00 179.01 178.65 1om2 h LEU 30 N 0.57 0.90 -1.25 1.64 3.38 0.20 -1.46 115.31 119.29 1om2 h LEU 30 Ca 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1om2 h LEU 30 Cb 0.82 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1om2 h LEU 30 CO 0.07 0.92 -0.37 -0.07 0.09 0.00 0.00 178.44 179.07 1om2 h LEU 31 N 0.89 0.00 -2.80 1.67 4.07 -0.75 0.12 115.31 118.52 1om2 h LEU 31 Ca 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 1om2 h LEU 31 Cb 0.41 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 1om2 h LEU 31 CO 0.01 0.37 -0.00 0.00 -1.08 0.00 0.00 178.44 177.75 1om2 h ALA 32 N 1.63 1.19 0.09 1.53 0.00 0.20 -0.05 119.26 123.84 1om2 h ALA 32 Ca -0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1om2 h ALA 32 Cb 0.66 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1om2 h ALA 32 CO 0.05 0.00 -1.98 0.94 0.00 0.00 0.00 179.25 178.26 1om2 n GLN 33 N -3.36 0.73 0.00 0.00 0.00 0.09 -5.00 117.38 109.84 1om2 n GLN 33 Ca -0.03 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 1om2 n GLN 33 Cb 0.08 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 28.61 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 1.92 0.70 2.31 1.69 0.00 0.20 -5.07 105.19 106.95 1om2 n GLY 34 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 7.31 -0.33 1.61 -0.08 -0.40 -4.68 116.55 119.98 1om2 n ASP 35 Ca 0.00 -2.81 0.20 0.00 -1.51 0.00 0.00 54.79 50.67 1om2 n ASP 35 Cb 0.00 -1.42 0.45 0.00 2.34 0.00 0.00 41.12 42.49 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 4.04 0.81 -0.42 -0.67 -1.99 -1.89 0.96 116.97 117.82 1om2 h TYR 36 Ca 0.58 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.41 1om2 h TYR 36 Cb 0.67 -0.24 -0.06 0.00 2.00 0.00 0.00 36.73 39.10 1om2 h TYR 36 CO 1.72 0.09 0.05 0.93 -0.00 0.00 0.00 178.16 180.95 1om2 h GLU 37 N 0.50 0.16 -0.05 4.88 3.07 -2.00 -1.14 114.58 120.00 1om2 h GLU 37 Ca 0.60 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 59.28 1om2 h GLU 37 Cb 1.33 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 1om2 h GLU 37 CO -0.35 0.11 -0.71 0.87 -1.40 0.00 0.00 179.01 177.52 1om2 h LYS 38 N 0.17 0.27 -0.87 2.33 1.79 -1.28 -3.17 116.57 115.81 1om2 h LYS 38 Ca 0.21 -0.22 0.10 0.00 -2.18 0.00 0.00 60.65 58.56 1om2 h LYS 38 Cb 0.27 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.89 1om2 h LYS 38 CO -0.30 0.87 0.51 0.78 -1.08 0.00 0.00 179.45 180.23 1om2 h GLY 39 N 1.52 1.37 1.00 3.86 0.00 0.07 0.55 103.07 111.44 1om2 h GLY 39 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1om2 h GLY 39 CO 0.11 0.13 0.14 -2.08 0.00 0.00 0.00 176.54 174.84 1om2 h VAL 40 N 0.83 1.06 0.10 4.60 2.07 -1.29 0.10 116.25 123.72 1om2 h VAL 40 Ca 0.43 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 1om2 h VAL 40 Cb 0.41 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1om2 h VAL 40 CO -0.26 0.06 -0.05 -0.78 0.02 0.00 0.00 177.57 176.56 1om2 h ASP 41 N 0.28 -0.11 -0.35 0.57 3.58 -1.39 0.72 116.42 119.72 1om2 h ASP 41 Ca 0.08 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 1om2 h ASP 41 Cb -0.03 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1om2 h ASP 41 CO -0.02 0.03 -0.03 0.45 -2.88 0.00 0.00 179.24 176.80 1om2 h HIS 42 N -0.26 0.79 -0.22 0.28 3.86 -0.87 -0.02 115.15 118.72 1om2 h HIS 42 Ca -0.01 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.03 1om2 h HIS 42 Cb 0.21 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1om2 h HIS 42 CO -0.03 0.75 -0.08 1.25 0.86 0.00 0.00 177.93 180.68 1om2 h LEU 43 N 0.69 0.45 -1.09 2.43 5.85 -0.67 -0.78 115.31 122.18 1om2 h LEU 43 Ca 0.13 -0.39 0.21 0.00 0.84 0.00 0.00 57.88 58.67 1om2 h LEU 43 Cb 0.46 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1om2 h LEU 43 CO 0.02 0.73 0.61 0.74 -0.34 0.00 0.00 178.44 180.21 1om2 h THR 44 N 0.16 0.66 -0.34 1.05 2.02 -0.21 0.15 112.91 116.41 1om2 h THR 44 Ca 0.05 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 1om2 h THR 44 Cb 0.55 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1om2 h THR 44 CO 0.03 0.12 -0.21 0.78 0.37 0.00 0.00 175.52 176.61 1om2 h ASN 45 N 0.67 0.78 -0.66 4.18 2.35 -0.63 -1.17 115.58 121.10 1om2 h ASN 45 Ca 0.58 -0.42 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 1om2 h ASN 45 Cb 1.04 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 39.13 1om2 h ASN 45 CO -0.37 1.03 0.33 0.00 -1.65 0.00 0.00 177.43 176.77 1om2 h ALA 46 N 0.77 0.88 -0.57 -0.83 0.00 0.72 0.12 119.26 120.36 1om2 h ALA 46 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1om2 h ALA 46 Cb 0.76 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1om2 h ALA 46 CO 0.06 -0.05 0.28 0.82 0.00 0.00 0.00 179.25 180.36 1om2 h ILE 47 N 0.58 1.19 0.00 0.00 5.03 -0.84 -0.36 117.51 123.10 1om2 h ILE 47 Ca 0.31 -0.51 -0.03 0.00 -0.12 0.00 0.00 64.86 64.52 1om2 h ILE 47 Cb 0.29 0.44 -0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1om2 h ILE 47 CO -0.24 0.21 -0.14 0.00 -0.68 0.00 0.00 178.15 177.31 1om2 h ALA 48 N 1.52 1.70 0.00 1.87 0.00 0.47 0.84 119.26 125.66 1om2 h ALA 48 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1om2 h ALA 48 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1om2 h ALA 48 CO -0.03 0.17 -1.49 1.33 0.00 0.00 0.00 179.25 179.24 1om2 n VAL 49 N -4.27 0.03 -0.08 0.00 0.24 -0.76 -4.50 118.33 108.99 1om2 n VAL 49 Ca -0.03 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.34 61.79 1om2 n VAL 49 Cb 0.21 0.41 -0.12 0.00 -1.47 0.00 0.00 33.84 32.87 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 1.53 1.64 2.45 0.00 0.00 0.24 -4.93 105.19 106.12 1om2 n GLY 51 Ca -0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 2.33 -0.06 1.61 -0.06 -1.26 -4.97 117.38 112.97 1om2 n GLN 52 Ca 0.00 -4.46 -0.10 0.00 -2.00 0.00 0.00 57.00 50.43 1om2 n GLN 52 Cb 0.00 -2.09 -0.04 0.00 -4.06 0.00 0.00 30.24 24.04 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 3.95 -0.37 -1.01 3.69 0.13 -1.91 -2.18 132.00 134.30 1om2 h PRO 53 Ca 0.17 0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.40 1om2 h PRO 53 Cb 0.68 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 31.82 1om2 h PRO 53 CO 0.77 -0.25 0.65 1.96 -0.23 0.00 0.00 178.00 180.90 1om2 h GLN 54 N -0.39 1.12 -0.32 0.86 4.20 -1.98 0.20 115.11 118.80 1om2 h GLN 54 Ca 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1om2 h GLN 54 Cb 0.58 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1om2 h GLN 54 CO -0.46 0.74 0.15 0.37 -0.67 0.00 0.00 178.83 178.96 1om2 h GLN 55 N 1.15 0.47 -0.72 1.46 5.75 -1.87 0.06 115.11 121.41 1om2 h GLN 55 Ca 0.44 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.83 1om2 h GLN 55 Cb 0.22 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1om2 h GLN 55 CO -0.19 0.43 0.27 1.25 -2.65 0.00 0.00 178.83 177.94 1om2 h LEU 56 N 0.39 1.01 -0.92 -2.39 5.85 -0.61 0.94 115.31 119.58 1om2 h LEU 56 Ca 0.11 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1om2 h LEU 56 Cb 0.12 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1om2 h LEU 56 CO -0.01 0.92 0.19 -0.07 -0.34 0.00 0.00 178.44 179.13 1om2 h LEU 57 N 1.04 0.91 -0.06 2.25 3.38 -0.31 0.91 115.31 123.44 1om2 h LEU 57 Ca 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1om2 h LEU 57 Cb 0.24 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1om2 h LEU 57 CO -0.02 0.86 0.02 -0.61 0.09 0.00 0.00 178.44 178.79 1om2 h GLN 58 N 0.95 0.09 -0.38 1.13 4.15 -0.60 -0.57 115.11 119.88 1om2 h GLN 58 Ca 0.21 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.63 1om2 h GLN 58 Cb 0.28 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1om2 h GLN 58 CO -0.01 0.23 0.25 -0.24 -1.93 0.00 0.00 178.83 177.13 1om2 h VAL 59 N -0.07 1.07 0.05 2.39 3.04 -0.33 -1.77 116.25 120.63 1om2 h VAL 59 Ca 0.02 -0.16 -0.23 0.00 -1.01 0.00 0.00 66.70 65.32 1om2 h VAL 59 Cb 0.17 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.00 1om2 h VAL 59 CO -0.00 0.09 -1.05 -0.07 -1.01 0.00 0.00 177.57 175.52 1om2 h LEU 60 N 0.47 0.26 0.00 3.16 -0.00 -0.62 -3.11 115.31 115.47 1om2 h LEU 60 Ca 0.15 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1om2 h LEU 60 Cb 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1om2 h LEU 60 CO -0.03 1.15 0.00 1.67 -0.00 0.00 0.00 178.44 181.22 1om2 n GLN 61 N -3.53 0.99 -0.07 1.13 7.27 -0.24 -3.26 117.38 119.66 1om2 n GLN 61 Ca -0.05 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.93 1om2 n GLN 61 Cb 0.93 -1.40 -0.09 0.00 2.41 0.00 0.00 30.24 32.09 1om2 n GLN 61 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1om2 n GLN 62 N -0.90 1.05 -0.06 3.69 1.13 -1.01 -4.79 117.38 116.50 1om2 n GLN 62 Ca 0.19 0.05 -0.04 0.00 -1.94 0.00 0.00 57.00 55.26 1om2 n GLN 62 Cb 0.09 -1.33 -0.04 0.00 0.11 0.00 0.00 30.24 29.07 1om2 n GLN 62 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1om2 h THR 63 N 0.00 0.49 -3.73 5.09 1.03 -1.56 -3.48 112.91 110.74 1om2 h THR 63 Ca -0.36 -1.37 -0.17 0.00 -0.01 0.00 0.00 66.41 64.51 1om2 h THR 63 Cb 1.66 0.93 -0.22 0.00 -1.07 0.00 0.00 68.15 69.45 1om2 h THR 63 CO -0.02 0.17 -0.61 -0.76 -0.01 0.00 0.00 175.52 174.28 1om2 s LEU 64 N -8.46 1.90 -0.17 0.00 2.01 -1.20 -5.12 118.68 107.64 1om2 s LEU 64 Ca -0.05 -0.27 -0.29 0.00 0.01 0.00 0.00 54.13 53.53 1om2 s LEU 64 Cb -0.01 0.33 -0.04 0.00 0.01 0.00 0.00 46.19 46.47 1om2 s LEU 64 CO 0.19 -0.27 1.84 -2.16 1.01 0.00 0.00 176.35 176.96 1om2 s PRO 65 N -1.14 3.69 -0.43 1.29 0.04 -1.26 -4.43 135.00 132.76 1om2 s PRO 65 Ca -0.12 1.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 1om2 s PRO 65 Cb -0.07 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.34 1om2 s PRO 65 CO 0.00 -1.44 0.77 -1.25 0.04 0.00 0.00 177.00 175.12 1om2 s PRO 66 N 5.07 3.45 0.05 0.56 0.04 -1.26 -4.93 135.00 137.97 1om2 s PRO 66 Ca 0.82 -0.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.63 1om2 s PRO 66 Cb -0.30 -3.92 -0.23 0.00 0.04 0.00 0.00 34.50 30.09 1om2 s PRO 66 CO 0.33 -1.06 1.16 -1.00 0.04 0.00 0.00 177.00 176.47 1om2 h PRO 67 N 8.89 0.58 -0.72 0.56 0.13 -2.00 -3.27 132.00 136.17 1om2 h PRO 67 Ca -0.25 -0.61 0.08 0.00 -0.87 0.00 0.00 66.00 64.36 1om2 h PRO 67 Cb 1.09 0.17 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 1om2 h PRO 67 CO 0.94 1.22 0.38 0.28 -0.23 0.00 0.00 178.00 180.59 1om2 h VAL 68 N 0.18 0.89 -1.04 1.56 2.07 -1.94 -0.90 116.25 117.06 1om2 h VAL 68 Ca -0.10 -0.22 0.30 0.00 0.82 0.00 0.00 66.70 67.49 1om2 h VAL 68 Cb 1.50 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 31.32 1om2 h VAL 68 CO 0.16 0.12 0.63 0.15 0.02 0.00 0.00 177.57 178.65 1om2 h PHE 69 N 0.65 0.87 -0.20 1.57 3.57 -1.97 0.39 116.94 121.82 1om2 h PHE 69 Ca 0.35 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.78 1om2 h PHE 69 Cb 0.32 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1om2 h PHE 69 CO -0.09 -0.05 -0.32 0.37 -2.23 0.00 0.00 178.31 175.99 1om2 h GLN 70 N 0.40 0.40 0.06 1.11 -0.00 -1.28 -1.04 115.11 114.77 1om2 h GLN 70 Ca 0.69 -0.17 -0.26 0.00 -0.00 0.00 0.00 58.65 58.90 1om2 h GLN 70 Cb 1.58 -0.02 0.01 0.00 0.00 0.00 0.00 27.48 29.06 1om2 h GLN 70 CO -0.48 0.68 -1.10 0.52 0.00 0.00 0.00 178.83 178.45 1om2 h MET 71 N 0.35 0.50 -0.36 1.69 0.00 -0.45 -2.15 114.93 114.51 1om2 h MET 71 Ca 0.04 -0.62 0.07 0.00 0.00 0.00 0.00 59.70 59.20 1om2 h MET 71 Cb 0.74 0.19 -0.07 0.00 0.00 0.00 0.00 31.60 32.46 1om2 h MET 71 CO 0.06 1.24 -0.06 1.25 0.00 0.00 0.00 176.91 179.40 1om2 h LEU 72 N 0.25 -0.27 -1.07 1.22 6.46 -0.16 0.49 115.31 122.22 1om2 h LEU 72 Ca -0.13 0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 1om2 h LEU 72 Cb 1.76 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.87 1om2 h LEU 72 CO 0.20 -0.09 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.81 1om2 h LEU 73 N 0.03 0.58 -0.26 2.25 4.07 -1.17 -2.65 115.31 118.16 1om2 h LEU 73 Ca 0.17 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.89 1om2 h LEU 73 Cb 0.26 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1om2 h LEU 73 CO -0.35 0.68 -0.52 0.00 -1.08 0.00 0.00 178.44 177.17 1om2 h THR 74 N 0.57 0.96 -0.12 0.22 1.03 -0.53 -3.23 112.91 111.80 1om2 h THR 74 Ca 0.11 -2.17 -0.05 0.00 -0.01 0.00 0.00 66.41 64.30 1om2 h THR 74 Cb 0.43 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 69.84 1om2 h THR 74 CO 0.02 0.51 -0.14 0.11 -0.01 0.00 0.00 175.52 176.01 1om2 h LYS 75 N 0.00 0.20 0.12 0.00 1.79 0.31 -3.28 116.57 115.72 1om2 h LYS 75 Ca -0.01 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1om2 h LYS 75 Cb 1.30 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 1om2 h LYS 75 CO 0.07 0.35 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.53 1om2 h LEU 76 N 0.19 -0.54 -9.01 2.94 4.07 -1.59 -3.40 115.31 107.98 1om2 h LEU 76 Ca 0.04 0.05 -0.57 0.00 0.08 0.00 0.00 57.88 57.48 1om2 h LEU 76 Cb 0.38 0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1om2 h LEU 76 CO 0.02 -0.23 1.14 -2.16 -1.08 0.00 0.00 178.44 176.14 1om2 s PRO 77 N -4.02 3.73 -0.09 1.13 0.04 -1.24 -4.84 135.00 129.72 1om2 s PRO 77 Ca -0.06 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.53 1om2 s PRO 77 Cb 0.02 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1om2 s PRO 77 CO 0.22 -1.37 -0.13 2.41 0.04 0.00 0.00 177.00 178.17 1om2 n THR 78 N 6.55 0.61 -0.06 1.26 -1.04 -1.26 -4.45 114.28 115.88 1om2 n THR 78 Ca 0.19 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.05 61.97 1om2 n THR 78 Cb 0.46 -1.65 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 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 -0.36 1.29 -0.69 12.58 5.03 -1.98 -3.06 117.51 130.32 1om2 h ILE 79 Ca -0.24 -1.04 0.14 0.00 -0.12 0.00 0.00 64.86 63.60 1om2 h ILE 79 Cb 1.17 1.60 -0.10 0.00 -3.03 0.00 0.00 36.82 36.46 1om2 h ILE 79 CO -0.15 0.31 0.18 0.28 -0.68 0.00 0.00 178.15 178.09 1om2 h SER 80 N 0.06 0.05 -0.71 1.72 0.02 -1.96 0.16 113.55 112.88 1om2 h SER 80 Ca 0.04 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1om2 h SER 80 Cb 0.50 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 1om2 h SER 80 CO 0.02 0.00 0.39 -0.61 -1.14 0.00 0.00 176.83 175.49 1om2 h GLN 81 N 0.29 0.67 -0.66 3.45 5.75 -1.76 -2.00 115.11 120.86 1om2 h GLN 81 Ca 0.38 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.82 1om2 h GLN 81 Cb 0.60 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1om2 h GLN 81 CO -0.45 0.45 0.35 -0.09 -2.65 0.00 0.00 178.83 176.43 1om2 h ARG 82 N 0.70 0.93 0.22 1.69 2.43 -0.89 -0.89 114.38 118.56 1om2 h ARG 82 Ca 0.33 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1om2 h ARG 82 Cb 0.26 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1om2 h ARG 82 CO -0.21 0.71 -0.11 0.82 -1.51 0.00 0.00 179.97 179.67 1om2 h ILE 83 N 0.90 0.84 -0.76 1.20 1.08 -0.81 -2.99 117.51 116.98 1om2 h ILE 83 Ca 0.23 -0.36 0.10 0.00 -0.39 0.00 0.00 64.86 64.44 1om2 h ILE 83 Cb 0.06 1.06 -0.08 0.00 -3.07 0.00 0.00 36.82 34.80 1om2 h ILE 83 CO -0.03 0.08 0.39 0.58 -0.69 0.00 0.00 178.15 178.48 1om2 h VAL 84 N -0.48 0.83 0.00 1.67 2.07 -1.28 0.19 116.25 119.25 1om2 h VAL 84 Ca -0.03 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1om2 h VAL 84 Cb 0.36 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1om2 h VAL 84 CO 0.05 0.12 -0.04 -1.20 0.02 0.00 0.00 177.57 176.52 1om2 n SER 85 N -4.84 4.24 0.00 0.57 7.64 -0.35 -3.16 113.62 117.72 1om2 n SER 85 Ca 0.13 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.86 1om2 n SER 85 Cb 0.31 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 1.79 0.00 -0.34 -0.43 0.00 -0.83 -4.66 120.51 116.05 1om2 n ALA 86 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1om2 n ALA 86 Cb 0.46 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.63 -0.08 -1.19 0.00 7.27 0.59 -1.01 117.38 122.34 1om2 n GLN 87 Ca 0.00 1.46 0.04 0.00 0.07 0.00 0.00 57.00 58.58 1om2 n GLN 87 Cb 0.00 -2.32 0.07 0.00 2.41 0.00 0.00 30.24 30.39 1om2 n GLN 87 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1om2 n SER 88 N -5.46 1.13 -4.37 1.69 2.88 -1.26 -5.00 113.62 103.23 1om2 n SER 88 Ca 0.23 -2.46 -0.37 0.00 -1.33 0.00 0.00 58.87 54.93 1om2 n SER 88 Cb 0.74 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 1om2 n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1om2 n LEU 89 N 0.05 -1.17 0.00 2.46 4.77 -0.18 -4.05 117.00 118.88 1om2 n LEU 89 Ca 0.09 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1om2 n LEU 89 Cb 1.00 -1.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1om2 n LEU 89 CO -0.04 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1om2 n GLY 90 N -1.62 0.45 3.80 -0.72 0.00 -1.26 -4.84 105.19 101.01 1om2 n GLY 90 Ca -0.05 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 3.99 0.31 1.61 2.12 -1.26 -4.76 118.70 120.72 1om2 s GLU 91 Ca 0.00 1.28 0.02 0.00 0.36 0.00 0.00 54.97 56.63 1om2 s GLU 91 Cb 0.00 -2.17 -0.01 0.00 0.26 0.00 0.00 34.13 32.22 1om2 s GLU 91 CO 0.00 -0.25 0.06 -0.40 -0.54 0.00 0.00 175.26 174.12 1om2 n ASP 92 N -0.76 1.98 -4.02 -1.70 5.75 -1.26 -4.73 116.55 111.80 1om2 n ASP 92 Ca 0.08 -2.52 -0.11 0.00 -0.01 0.00 0.00 54.79 52.23 1om2 n ASP 92 Cb 0.53 0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 41.05 1om2 n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1om2 s ASP 93 N -2.82 0.08 -0.06 -1.12 -1.08 -1.26 -5.08 116.67 105.33 1om2 s ASP 93 Ca 0.08 -1.15 0.03 0.00 -0.52 0.00 0.00 52.55 50.98 1om2 s ASP 93 Cb 0.00 0.51 -0.06 0.00 -1.46 0.00 0.00 42.92 41.92 1om2 s ASP 93 CO 0.06 -1.03 -0.02 0.52 0.52 0.00 0.00 175.17 175.21 1om2 n VAL 94 N -0.35 0.39 1.86 1.11 0.31 -1.26 -5.20 118.33 115.18 1om2 n VAL 94 Ca 0.00 -0.20 0.15 0.00 -0.01 0.00 0.00 64.34 64.28 1om2 n VAL 94 Cb 0.63 -0.80 0.88 0.00 -0.91 0.00 0.00 33.84 33.64 1om2 n VAL 94 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89