#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om2 n ALA 2 N 0.00 0.40 0.00 2.89 0.00 -1.26 -5.12 120.51 117.42 1om2 n ALA 2 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1om2 n ALA 2 Cb 0.00 1.05 0.00 0.00 0.00 0.00 0.00 19.45 20.50 1om2 n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1om2 n GLY 3 N 0.04 1.10 2.54 0.00 0.00 -1.26 -5.08 105.19 102.53 1om2 n GLY 3 Ca -0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.27 -4.69 0.99 0.00 -1.26 -5.14 117.00 106.62 1om2 n LEU 4 Ca 0.00 -4.06 -0.31 0.00 0.00 0.00 0.00 56.01 51.64 1om2 n LEU 4 Cb 0.00 0.55 0.15 0.00 0.00 0.00 0.00 43.42 44.12 1om2 n LEU 4 CO 0.00 1.97 0.69 -0.44 0.00 0.00 0.00 177.39 179.61 1om2 s SER 5 N -2.11 3.28 0.31 1.96 0.01 -1.26 -4.96 113.70 110.93 1om2 s SER 5 Ca 0.29 2.12 -0.29 0.00 1.31 0.00 0.00 55.95 59.38 1om2 s SER 5 Cb 0.38 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.94 1om2 s SER 5 CO -0.04 -2.86 1.54 -0.54 0.41 0.00 0.00 173.24 171.74 1om2 s LYS 6 N -4.68 4.14 -0.90 12.44 1.02 -1.26 -3.43 119.74 127.08 1om2 s LYS 6 Ca 0.66 2.53 -0.07 0.00 0.02 0.00 0.00 55.97 59.11 1om2 s LYS 6 Cb -0.22 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1om2 s LYS 6 CO 0.57 -0.56 0.67 1.28 -0.92 0.00 0.00 175.35 176.38 1om2 n LEU 7 N 1.69 -2.99 0.01 3.17 4.77 -1.26 -4.95 117.00 117.44 1om2 n LEU 7 Ca 0.06 -0.81 -0.10 0.00 -0.03 0.00 0.00 56.01 55.13 1om2 n LEU 7 Cb 0.38 -2.14 -0.08 0.00 -2.33 0.00 0.00 43.42 39.26 1om2 n LEU 7 CO 0.63 0.10 0.35 1.55 -1.33 0.00 0.00 177.39 178.70 1om2 h PRO 8 N -0.62 -0.13 0.00 3.23 0.13 -1.93 -3.46 132.00 129.22 1om2 h PRO 8 Ca -0.51 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1om2 h PRO 8 Cb 1.30 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1om2 h PRO 8 CO 0.39 0.37 0.00 -3.47 -0.23 0.00 0.00 178.00 175.06 1om2 n ASP 9 N -4.83 0.00 0.00 1.44 -0.08 -1.26 -5.06 116.55 106.75 1om2 n ASP 9 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1om2 n ASP 9 Cb 0.27 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1om2 n ASP 9 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1om2 n LEU 10 N -1.39 0.00 -0.16 -2.67 4.77 -1.26 -4.87 117.00 111.41 1om2 n LEU 10 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1om2 n LEU 10 Cb 0.00 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.40 1om2 n LEU 10 CO 0.00 0.00 1.22 0.11 -1.33 0.00 0.00 177.39 177.39 1om2 h LYS 11 N 2.04 0.83 -6.66 3.23 1.57 -2.03 -3.40 116.57 112.14 1om2 h LYS 11 Ca 0.00 -0.05 -0.50 0.00 -1.87 0.00 0.00 60.65 58.23 1om2 h LYS 11 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1om2 h LYS 11 CO 0.00 0.55 0.36 -0.51 -0.57 0.00 0.00 179.45 179.28 1om2 s ASP 12 N -6.39 7.56 -0.04 0.86 1.01 -1.26 -4.97 116.67 113.43 1om2 s ASP 12 Ca -0.10 1.89 -0.16 0.00 0.71 0.00 0.00 52.55 54.89 1om2 s ASP 12 Cb 0.18 -2.60 -0.32 0.00 1.01 0.00 0.00 42.92 41.19 1om2 s ASP 12 CO 0.77 0.03 0.79 0.00 0.21 0.00 0.00 175.17 176.97 1om2 h ALA 13 N 4.85 0.00 -0.99 5.23 0.00 -2.00 -3.27 119.26 123.08 1om2 h ALA 13 Ca -0.44 -0.94 0.07 0.00 0.00 0.00 0.00 54.91 53.60 1om2 h ALA 13 Cb 1.21 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 1om2 h ALA 13 CO 0.70 0.72 0.64 1.05 0.00 0.00 0.00 179.25 182.36 1om2 h GLU 14 N -0.09 1.11 -0.45 0.00 4.11 -1.96 0.18 114.58 117.48 1om2 h GLU 14 Ca -0.26 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.00 1om2 h GLU 14 Cb 1.93 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 1om2 h GLU 14 CO 0.17 0.74 -0.12 0.00 0.07 0.00 0.00 179.01 179.87 1om2 h ALA 15 N 1.46 0.93 -0.28 1.06 0.00 -1.97 0.10 119.26 120.56 1om2 h ALA 15 Ca 0.43 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1om2 h ALA 15 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1om2 h ALA 15 CO -0.18 0.62 -0.49 0.28 0.00 0.00 0.00 179.25 179.48 1om2 h VAL 16 N 0.74 1.29 -0.33 0.00 2.07 -1.37 -1.75 116.25 116.90 1om2 h VAL 16 Ca 0.12 -1.68 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 1om2 h VAL 16 Cb 0.63 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1om2 h VAL 16 CO 0.04 0.54 -0.09 -0.61 0.02 0.00 0.00 177.57 177.48 1om2 h GLN 17 N 0.61 0.64 0.45 1.57 4.15 -0.33 0.87 115.11 123.07 1om2 h GLN 17 Ca 0.03 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1om2 h GLN 17 Cb 1.06 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1om2 h GLN 17 CO 0.10 0.82 -0.40 0.87 -1.93 0.00 0.00 178.83 178.30 1om2 h LYS 18 N 0.42 -0.82 -0.35 1.69 1.57 -0.67 -0.94 116.57 117.47 1om2 h LYS 18 Ca 0.08 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1om2 h LYS 18 Cb 0.59 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1om2 h LYS 18 CO 0.03 -0.55 0.19 0.35 -0.57 0.00 0.00 179.45 178.90 1om2 h PHE 19 N -0.85 0.49 -0.28 -1.35 3.04 -1.35 0.02 116.94 116.66 1om2 h PHE 19 Ca -0.04 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.95 1om2 h PHE 19 Cb 0.74 -0.15 -0.06 0.00 2.56 0.00 0.00 35.95 39.04 1om2 h PHE 19 CO -0.19 0.39 -0.10 0.35 -2.02 0.00 0.00 178.31 176.74 1om2 h PHE 20 N 0.44 -0.24 -0.41 0.41 3.57 -0.66 0.09 116.94 120.14 1om2 h PHE 20 Ca 0.12 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1om2 h PHE 20 Cb 0.07 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1om2 h PHE 20 CO -0.02 -0.16 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.67 1om2 h LEU 21 N -0.05 0.77 -1.80 0.59 3.38 -1.09 -0.19 115.31 116.92 1om2 h LEU 21 Ca 0.14 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1om2 h LEU 21 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1om2 h LEU 21 CO -0.32 0.92 0.17 -0.08 0.09 0.00 0.00 178.44 179.23 1om2 h GLU 22 N 0.69 0.26 0.17 1.13 4.81 0.33 -0.19 114.58 121.77 1om2 h GLU 22 Ca 0.11 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.10 1om2 h GLU 22 Cb 0.64 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 29.98 1om2 h GLU 22 CO 0.04 0.17 -0.99 1.49 -0.73 0.00 0.00 179.01 179.00 1om2 h GLU 23 N 0.27 0.36 -0.33 1.92 4.81 -0.40 0.80 114.58 122.01 1om2 h GLU 23 Ca 0.10 -0.61 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 1om2 h GLU 23 Cb 0.08 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1om2 h GLU 23 CO -0.02 1.29 0.03 0.82 -0.73 0.00 0.00 179.01 180.40 1om2 h ILE 24 N -0.25 0.80 0.10 2.32 2.04 -0.71 0.95 117.51 122.76 1om2 h ILE 24 Ca -0.17 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1om2 h ILE 24 Cb 1.77 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1om2 h ILE 24 CO 0.18 0.03 -0.05 1.56 0.00 0.00 0.00 178.15 179.87 1om2 h GLN 25 N 0.14 -0.12 -0.63 2.37 4.20 -1.11 -2.26 115.11 117.70 1om2 h GLN 25 Ca 0.16 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.98 1om2 h GLN 25 Cb 0.19 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.92 1om2 h GLN 25 CO -0.23 0.27 0.22 1.25 -0.67 0.00 0.00 178.83 179.67 1om2 h LEU 26 N -0.55 0.19 0.00 1.46 7.12 -0.69 0.39 115.31 123.22 1om2 h LEU 26 Ca -0.01 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1om2 h LEU 26 Cb 0.46 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1om2 h LEU 26 CO 0.02 0.11 0.00 0.61 -0.13 0.00 0.00 178.44 179.05 1om2 n GLY 27 N -1.30 -2.46 0.47 3.75 0.00 0.32 -0.56 105.19 105.41 1om2 n GLY 27 Ca 0.10 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.42 1om2 n GLY 27 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1om2 h GLU 28 N 0.00 0.19 -0.30 1.61 4.11 -1.26 0.20 114.58 119.14 1om2 h GLU 28 Ca 0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 1om2 h GLU 28 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1om2 h GLU 28 CO 0.00 0.13 -0.18 1.49 0.07 0.00 0.00 179.01 180.51 1om2 h GLU 29 N 0.19 0.64 -0.76 1.06 4.57 -0.77 0.23 114.58 119.74 1om2 h GLU 29 Ca 0.64 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.48 1om2 h GLU 29 Cb 2.03 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.58 1om2 h GLU 29 CO -0.21 0.89 0.31 -0.07 -1.18 0.00 0.00 179.01 178.75 1om2 h LEU 30 N 0.39 1.04 -1.13 1.64 3.38 0.18 -1.29 115.31 119.52 1om2 h LEU 30 Ca 0.06 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1om2 h LEU 30 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1om2 h LEU 30 CO 0.05 0.91 -0.11 -0.07 0.09 0.00 0.00 178.44 179.32 1om2 h LEU 31 N 1.10 0.46 -2.54 1.67 4.07 -0.74 0.16 115.31 119.50 1om2 h LEU 31 Ca 0.26 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 58.12 1om2 h LEU 31 Cb 0.20 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1om2 h LEU 31 CO -0.02 0.61 0.11 0.00 -1.08 0.00 0.00 178.44 178.05 1om2 h ALA 32 N 1.44 1.36 0.07 1.53 0.00 0.62 0.12 119.26 124.40 1om2 h ALA 32 Ca 0.09 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 1om2 h ALA 32 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1om2 h ALA 32 CO 0.03 -0.13 -1.93 0.94 0.00 0.00 0.00 179.25 178.15 1om2 n GLN 33 N -3.39 0.71 0.00 0.00 7.27 0.15 -5.00 117.38 117.12 1om2 n GLN 33 Ca -0.02 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1om2 n GLN 33 Cb 0.19 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.11 1om2 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1om2 n GLY 34 N 1.84 0.42 2.50 1.69 0.00 0.41 -5.08 105.19 106.98 1om2 n GLY 34 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 7.63 -0.31 1.61 -0.08 -0.31 -4.74 116.55 120.35 1om2 n ASP 35 Ca 0.00 -2.97 0.14 0.00 -1.51 0.00 0.00 54.79 50.45 1om2 n ASP 35 Cb 0.00 -1.45 0.31 0.00 2.34 0.00 0.00 41.12 42.33 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 4.93 0.70 -0.42 -0.67 0.05 -1.88 -0.11 116.97 119.57 1om2 h TYR 36 Ca 0.70 0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.55 1om2 h TYR 36 Cb 0.36 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 1om2 h TYR 36 CO 1.63 -0.03 0.23 1.49 -1.05 0.00 0.00 178.16 180.43 1om2 h GLU 37 N 0.43 0.46 -0.17 4.88 4.81 -2.00 0.08 114.58 123.08 1om2 h GLU 37 Ca 0.57 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.69 1om2 h GLU 37 Cb 1.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1om2 h GLU 37 CO -0.52 0.30 -0.24 0.87 -0.73 0.00 0.00 179.01 178.69 1om2 h LYS 38 N 0.47 0.30 -0.59 1.92 1.79 -1.47 -2.19 116.57 116.80 1om2 h LYS 38 Ca 0.18 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1om2 h LYS 38 Cb 0.05 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 1om2 h LYS 38 CO -0.10 0.53 0.15 0.78 -1.08 0.00 0.00 179.45 179.73 1om2 h GLY 39 N 0.97 0.98 0.91 3.86 0.00 0.06 0.63 103.07 110.48 1om2 h GLY 39 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1om2 h GLY 39 CO 0.04 0.53 0.06 -2.08 0.00 0.00 0.00 176.54 175.10 1om2 h VAL 40 N 0.88 1.11 0.56 4.60 2.07 -0.42 0.23 116.25 125.27 1om2 h VAL 40 Ca 0.19 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1om2 h VAL 40 Cb 0.30 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1om2 h VAL 40 CO -0.00 0.10 -0.27 -0.78 0.02 0.00 0.00 177.57 176.64 1om2 h ASP 41 N 0.08 -0.64 -0.31 0.57 3.58 -1.21 0.11 116.42 118.60 1om2 h ASP 41 Ca 0.04 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 1om2 h ASP 41 Cb 0.11 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1om2 h ASP 41 CO -0.01 -0.45 -0.02 0.45 -2.88 0.00 0.00 179.24 176.33 1om2 h HIS 42 N -0.75 0.71 -0.25 0.28 3.86 -0.87 -0.44 115.15 117.69 1om2 h HIS 42 Ca -0.08 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 1om2 h HIS 42 Cb 0.57 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1om2 h HIS 42 CO -0.04 0.69 -0.12 1.25 0.86 0.00 0.00 177.93 180.57 1om2 h LEU 43 N 0.63 0.53 -1.12 2.43 5.85 -0.43 0.01 115.31 123.22 1om2 h LEU 43 Ca 0.13 -0.41 0.15 0.00 0.84 0.00 0.00 57.88 58.58 1om2 h LEU 43 Cb 0.42 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 1om2 h LEU 43 CO 0.02 0.83 0.61 0.74 -0.34 0.00 0.00 178.44 180.29 1om2 h THR 44 N 0.24 0.83 -0.42 1.05 2.02 -0.32 0.57 112.91 116.88 1om2 h THR 44 Ca 0.05 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 1om2 h THR 44 Cb 0.63 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1om2 h THR 44 CO 0.04 0.15 -0.19 0.78 0.37 0.00 0.00 175.52 176.66 1om2 h ASN 45 N 0.82 0.89 -0.73 4.18 2.35 -0.74 -1.54 115.58 120.80 1om2 h ASN 45 Ca 0.50 -0.40 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1om2 h ASN 45 Cb 0.70 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 1om2 h ASN 45 CO -0.27 1.09 0.42 0.00 -1.65 0.00 0.00 177.43 177.02 1om2 h ALA 46 N 0.83 1.00 -0.73 -0.83 0.00 0.11 0.32 119.26 119.96 1om2 h ALA 46 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1om2 h ALA 46 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1om2 h ALA 46 CO 0.06 0.09 0.32 0.82 0.00 0.00 0.00 179.25 180.54 1om2 h ILE 47 N 0.74 1.24 -0.30 0.00 5.03 -0.96 -0.11 117.51 123.16 1om2 h ILE 47 Ca 0.34 -0.71 0.00 0.00 -0.12 0.00 0.00 64.86 64.37 1om2 h ILE 47 Cb 0.24 0.33 -0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1om2 h ILE 47 CO -0.20 0.29 0.19 0.00 -0.68 0.00 0.00 178.15 177.75 1om2 h ALA 48 N 1.30 1.78 0.00 1.87 0.00 0.08 0.26 119.26 124.56 1om2 h ALA 48 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1om2 h ALA 48 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1om2 h ALA 48 CO -0.03 0.20 -1.37 1.33 0.00 0.00 0.00 179.25 179.38 1om2 n VAL 49 N -4.49 0.01 -0.06 0.00 0.24 -0.76 -4.51 118.33 108.77 1om2 n VAL 49 Ca 0.01 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.34 61.89 1om2 n VAL 49 Cb 0.07 0.55 -0.13 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 1.67 2.25 2.63 0.00 0.00 0.03 -4.92 105.19 106.84 1om2 n GLY 51 Ca -0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 1om2 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om2 n GLN 52 N -2.00 2.93 0.04 1.61 10.64 -1.26 -4.95 117.38 124.39 1om2 n GLN 52 Ca 0.00 -4.74 -0.12 0.00 -1.83 0.00 0.00 57.00 50.31 1om2 n GLN 52 Cb 0.00 -2.27 -0.05 0.00 -0.86 0.00 0.00 30.24 27.06 1om2 n GLN 52 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1om2 h PRO 53 N 3.82 -0.46 -0.57 2.61 0.13 -1.91 -2.16 132.00 133.45 1om2 h PRO 53 Ca 0.18 0.03 0.09 0.00 -0.87 0.00 0.00 66.00 65.44 1om2 h PRO 53 Cb 0.60 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.76 1om2 h PRO 53 CO 0.86 -0.30 0.19 1.96 -0.23 0.00 0.00 178.00 180.48 1om2 h GLN 54 N -0.47 0.35 -0.76 0.86 4.20 -1.98 0.32 115.11 117.63 1om2 h GLN 54 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1om2 h GLN 54 Cb 0.58 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1om2 h GLN 54 CO -0.32 0.23 0.48 0.37 -0.67 0.00 0.00 178.83 178.93 1om2 h GLN 55 N 0.36 1.01 -0.50 1.46 5.75 -1.92 -0.50 115.11 120.77 1om2 h GLN 55 Ca 0.29 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.61 1om2 h GLN 55 Cb 0.36 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1om2 h GLN 55 CO -0.31 0.69 -0.09 1.25 -2.65 0.00 0.00 178.83 177.72 1om2 h LEU 56 N 1.03 0.95 -1.14 -2.39 5.85 -0.53 -0.79 115.31 118.29 1om2 h LEU 56 Ca 0.28 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1om2 h LEU 56 Cb -0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 1om2 h LEU 56 CO -0.06 1.08 0.20 -0.07 -0.34 0.00 0.00 178.44 179.25 1om2 h LEU 57 N 0.81 0.73 -0.17 2.25 3.38 0.12 0.18 115.31 122.62 1om2 h LEU 57 Ca 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1om2 h LEU 57 Cb 0.65 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1om2 h LEU 57 CO 0.04 0.68 0.06 -0.61 0.09 0.00 0.00 178.44 178.70 1om2 h GLN 58 N 0.79 0.26 -0.47 1.13 4.15 -0.87 -0.09 115.11 120.01 1om2 h GLN 58 Ca 0.19 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.56 1om2 h GLN 58 Cb 0.19 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1om2 h GLN 58 CO -0.01 0.36 0.31 -0.24 -1.93 0.00 0.00 178.83 177.31 1om2 h VAL 59 N 0.11 1.11 0.02 2.39 3.04 -0.19 0.10 116.25 122.83 1om2 h VAL 59 Ca 0.06 -0.21 -0.21 0.00 -1.01 0.00 0.00 66.70 65.33 1om2 h VAL 59 Cb 0.20 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 1om2 h VAL 59 CO -0.00 0.11 -0.97 -0.07 -1.01 0.00 0.00 177.57 175.63 1om2 h LEU 60 N 0.62 0.08 -0.12 3.16 -0.00 -0.43 -1.90 115.31 116.72 1om2 h LEU 60 Ca 0.18 -0.08 -0.23 0.00 -0.00 0.00 0.00 57.88 57.75 1om2 h LEU 60 Cb -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1om2 h LEU 60 CO -0.04 1.00 -1.00 -0.61 -0.00 0.00 0.00 178.44 177.78 1om2 h GLN 61 N 0.02 0.23 0.03 1.13 4.15 -0.22 -3.07 115.11 117.38 1om2 h GLN 61 Ca -0.03 -0.30 -0.23 0.00 0.77 0.00 0.00 58.65 58.86 1om2 h GLN 61 Cb 1.68 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.47 1om2 h GLN 61 CO 0.13 1.06 -0.99 0.37 -1.93 0.00 0.00 178.83 177.47 1om2 h GLN 62 N 0.11 0.35 0.08 1.69 5.75 -0.85 -3.32 115.11 118.92 1om2 h GLN 62 Ca -0.07 -0.41 -0.25 0.00 -0.15 0.00 0.00 58.65 57.77 1om2 h GLN 62 Cb 1.68 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 30.35 1om2 h GLN 62 CO 0.16 1.11 -1.14 0.00 -2.65 0.00 0.00 178.83 176.30 1om2 h THR 63 N 0.18 1.56 -1.77 2.39 1.03 -1.43 -3.48 112.91 111.39 1om2 h THR 63 Ca -0.09 -3.12 0.11 0.00 -0.01 0.00 0.00 66.41 63.30 1om2 h THR 63 Cb 1.64 2.87 -0.20 0.00 -1.07 0.00 0.00 68.15 71.39 1om2 h THR 63 CO 0.17 0.91 0.56 -1.48 -0.01 0.00 0.00 175.52 175.66 1om2 s LEU 64 N -7.06 -0.34 -0.20 0.00 2.34 -1.16 -5.10 118.68 107.16 1om2 s LEU 64 Ca -0.03 0.23 -0.29 0.00 0.06 0.00 0.00 54.13 54.11 1om2 s LEU 64 Cb 0.08 1.86 -0.04 0.00 -0.56 0.00 0.00 46.19 47.53 1om2 s LEU 64 CO 0.86 -0.42 1.80 -2.16 -1.06 0.00 0.00 176.35 175.38 1om2 s PRO 65 N -1.86 3.66 -0.55 1.48 0.04 -1.26 -4.19 135.00 132.33 1om2 s PRO 65 Ca 0.02 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1om2 s PRO 65 Cb -0.01 -4.14 0.10 0.00 0.04 0.00 0.00 34.50 30.49 1om2 s PRO 65 CO -0.02 -1.47 0.60 -1.25 0.04 0.00 0.00 177.00 174.90 1om2 s PRO 66 N 5.08 3.04 0.20 0.56 0.04 -1.26 -4.92 135.00 137.73 1om2 s PRO 66 Ca 0.80 -1.33 -0.01 0.00 0.04 0.00 0.00 61.00 60.50 1om2 s PRO 66 Cb -0.29 -4.22 0.13 0.00 0.04 0.00 0.00 34.50 30.16 1om2 s PRO 66 CO 0.33 -1.36 1.51 -1.00 0.04 0.00 0.00 177.00 176.51 1om2 h PRO 67 N 9.02 0.47 -0.32 0.56 0.13 -1.99 -3.20 132.00 136.67 1om2 h PRO 67 Ca -0.29 -0.31 0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1om2 h PRO 67 Cb 1.09 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1om2 h PRO 67 CO 1.03 0.92 0.04 0.28 -0.23 0.00 0.00 178.00 180.04 1om2 h VAL 68 N 0.36 0.81 -0.89 1.56 2.07 -1.97 -1.76 116.25 116.42 1om2 h VAL 68 Ca -0.00 -0.05 0.24 0.00 0.82 0.00 0.00 66.70 67.71 1om2 h VAL 68 Cb 1.12 0.65 -0.15 0.00 -1.52 0.00 0.00 31.29 31.40 1om2 h VAL 68 CO 0.10 0.03 0.22 0.15 0.02 0.00 0.00 177.57 178.09 1om2 h PHE 69 N 0.14 0.31 -0.14 1.57 3.04 -1.97 0.37 116.94 120.27 1om2 h PHE 69 Ca 0.15 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1om2 h PHE 69 Cb 0.19 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1om2 h PHE 69 CO -0.20 -0.25 -0.00 -0.56 -2.02 0.00 0.00 178.31 175.28 1om2 h GLN 70 N 0.18 0.19 0.07 1.11 3.07 -1.41 -1.00 115.11 117.32 1om2 h GLN 70 Ca 0.56 -0.02 -0.27 0.00 0.09 0.00 0.00 58.65 59.01 1om2 h GLN 70 Cb 1.15 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.66 1om2 h GLN 70 CO -0.69 0.22 -1.32 0.52 0.09 0.00 0.00 178.83 177.65 1om2 h MET 71 N 0.19 0.14 -0.42 0.06 2.86 -0.39 -2.99 114.93 114.38 1om2 h MET 71 Ca 0.05 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1om2 h MET 71 Cb 0.14 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1om2 h MET 71 CO 0.00 1.02 0.24 1.25 1.06 0.00 0.00 176.91 180.49 1om2 h LEU 72 N 0.04 0.39 -1.83 1.22 5.85 0.22 0.17 115.31 121.37 1om2 h LEU 72 Ca -0.15 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1om2 h LEU 72 Cb 1.93 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 1om2 h LEU 72 CO 0.15 0.28 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.42 1om2 h LEU 73 N 0.49 0.00 0.00 2.25 3.38 -1.26 -2.42 115.31 117.76 1om2 h LEU 73 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1om2 h LEU 73 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1om2 h LEU 73 CO -0.08 0.04 -1.27 1.07 0.09 0.00 0.00 178.44 178.29 1om2 n THR 74 N -3.21 0.43 0.09 0.22 5.66 -0.55 -4.05 114.28 112.87 1om2 n THR 74 Ca -0.01 -0.52 -0.07 0.00 -3.05 0.00 0.00 64.05 60.40 1om2 n THR 74 Cb 0.26 -0.22 -0.03 0.00 -1.55 0.00 0.00 70.33 68.79 1om2 n THR 74 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1om2 h LYS 75 N 0.00 0.09 0.07 1.09 1.63 -0.21 -3.37 116.57 115.87 1om2 h LYS 75 Ca 0.00 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1om2 h LYS 75 Cb 0.98 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1om2 h LYS 75 CO 0.00 0.93 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.82 1om2 h LEU 76 N 0.04 -0.08 -8.83 5.20 3.38 -1.66 -3.42 115.31 109.94 1om2 h LEU 76 Ca -0.03 -0.25 -0.59 0.00 0.09 0.00 0.00 57.88 57.09 1om2 h LEU 76 Cb 1.57 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.25 1om2 h LEU 76 CO 0.13 0.21 0.58 -2.16 0.09 0.00 0.00 178.44 177.29 1om2 s PRO 77 N -5.02 3.84 0.00 1.13 0.04 -1.26 -4.83 135.00 128.90 1om2 s PRO 77 Ca -0.15 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1om2 s PRO 77 Cb 0.03 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1om2 s PRO 77 CO 0.64 -0.93 0.00 2.41 0.04 0.00 0.00 177.00 179.16 1om2 n THR 78 N 5.95 0.00 0.14 1.26 -1.04 -1.26 -4.50 114.28 114.83 1om2 n THR 78 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.94 1om2 n THR 78 Cb 0.48 -1.32 -0.08 0.00 -1.82 0.00 0.00 70.33 67.59 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 0.75 -0.27 12.58 5.03 -1.99 -1.30 117.51 132.31 1om2 h ILE 79 Ca 0.00 -0.58 0.06 0.00 -0.12 0.00 0.00 64.86 64.23 1om2 h ILE 79 Cb 0.98 1.06 -0.07 0.00 -3.03 0.00 0.00 36.82 35.76 1om2 h ILE 79 CO 0.00 0.12 -0.18 0.77 -0.68 0.00 0.00 178.15 178.18 1om2 h SER 80 N -0.69 -0.60 -0.68 1.72 4.64 -1.97 -0.49 113.55 115.48 1om2 h SER 80 Ca -0.04 0.12 0.12 0.00 -0.47 0.00 0.00 61.79 61.53 1om2 h SER 80 Cb 0.48 0.30 -0.09 0.00 -0.31 0.00 0.00 62.40 62.78 1om2 h SER 80 CO 0.06 -0.22 0.23 -0.61 -0.87 0.00 0.00 176.83 175.43 1om2 h GLN 81 N -0.16 0.37 -0.58 4.77 -0.00 -1.78 -1.93 115.11 115.80 1om2 h GLN 81 Ca 0.15 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.72 1om2 h GLN 81 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1om2 h GLN 81 CO -0.37 0.24 0.13 -0.09 0.00 0.00 0.00 178.83 178.74 1om2 h ARG 82 N 0.38 0.94 0.05 1.69 2.43 0.07 -2.06 114.38 117.87 1om2 h ARG 82 Ca 0.36 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1om2 h ARG 82 Cb 0.53 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1om2 h ARG 82 CO -0.39 0.87 -0.02 0.82 -1.51 0.00 0.00 179.97 179.74 1om2 h ILE 83 N 0.84 0.98 -0.98 1.20 1.08 -0.41 -2.34 117.51 117.87 1om2 h ILE 83 Ca 0.18 -0.08 0.15 0.00 -0.39 0.00 0.00 64.86 64.72 1om2 h ILE 83 Cb 0.36 1.03 -0.09 0.00 -3.07 0.00 0.00 36.82 35.06 1om2 h ILE 83 CO 0.00 0.02 0.62 0.58 -0.69 0.00 0.00 178.15 178.68 1om2 h VAL 84 N -0.10 0.84 0.00 1.67 2.07 -1.33 0.11 116.25 119.51 1om2 h VAL 84 Ca -0.01 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1om2 h VAL 84 Cb 0.08 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1om2 h VAL 84 CO 0.01 0.16 -0.10 -1.20 0.02 0.00 0.00 177.57 176.46 1om2 n SER 85 N -4.64 4.19 0.00 0.57 7.64 -0.78 -3.12 113.62 117.47 1om2 n SER 85 Ca 0.20 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1om2 n SER 85 Cb 0.45 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1om2 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1om2 n ALA 86 N 2.07 0.00 -1.18 -0.43 0.00 -0.90 -4.96 120.51 115.11 1om2 n ALA 86 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 1om2 n ALA 86 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.31 2.89 0.00 0.00 -0.06 0.34 -1.30 117.38 117.94 1om2 n GLN 87 Ca 0.00 -2.00 0.00 0.00 -2.00 0.00 0.00 57.00 53.00 1om2 n GLN 87 Cb 0.00 -2.77 0.00 0.00 -4.06 0.00 0.00 30.24 23.41 1om2 n GLN 87 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1om2 n SER 88 N 4.49 0.00 -2.24 1.69 3.41 -1.26 -4.79 113.62 114.91 1om2 n SER 88 Ca 0.62 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.91 1om2 n SER 88 Cb 0.24 0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1om2 n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1om2 n LEU 89 N -1.12 7.15 -3.61 1.04 -0.00 -0.42 -4.95 117.00 115.08 1om2 n LEU 89 Ca 0.00 -4.26 -0.09 0.00 -0.00 0.00 0.00 56.01 51.66 1om2 n LEU 89 Cb 0.00 -0.87 -0.02 0.00 -0.00 0.00 0.00 43.42 42.53 1om2 n LEU 89 CO 0.00 1.50 0.50 -0.83 -0.00 0.00 0.00 177.39 178.56 1om2 s GLY 90 N -2.02 -0.38 0.40 1.47 0.00 -1.03 -4.95 107.32 100.80 1om2 s GLY 90 Ca 0.62 0.26 -0.11 0.00 0.00 0.00 0.00 44.72 45.49 1om2 s GLY 90 CO 0.01 0.08 0.76 1.85 0.00 0.00 0.00 173.10 175.81 1om2 s GLU 91 N -3.66 3.79 0.00 2.90 2.12 -1.26 -4.93 118.70 117.66 1om2 s GLU 91 Ca 0.06 0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.88 1om2 s GLU 91 Cb -0.03 -2.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 1om2 s GLU 91 CO -0.04 -0.02 -0.07 0.34 -0.54 0.00 0.00 175.26 174.93 1om2 s ASP 92 N -3.10 0.78 0.39 -1.70 2.15 -1.26 -5.06 116.67 108.88 1om2 s ASP 92 Ca 0.51 -0.18 -0.08 0.00 0.43 0.00 0.00 52.55 53.23 1om2 s ASP 92 Cb -0.10 -0.07 -0.06 0.00 -0.30 0.00 0.00 42.92 42.39 1om2 s ASP 92 CO 0.30 0.04 0.73 -1.81 -0.17 0.00 0.00 175.17 174.26 1om2 s ASP 93 N -0.35 6.45 -0.03 -0.34 1.01 -1.26 -5.11 116.67 117.05 1om2 s ASP 93 Ca 0.01 1.00 -0.06 0.00 0.71 0.00 0.00 52.55 54.21 1om2 s ASP 93 Cb -0.03 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.63 1om2 s ASP 93 CO -0.00 -0.39 0.13 -0.69 0.21 0.00 0.00 175.17 174.43 1om2 s VAL 94 N -2.38 0.04 -2.04 -1.27 1.01 -1.26 -5.35 120.40 109.14 1om2 s VAL 94 Ca 0.49 -0.32 0.16 0.00 0.00 0.00 0.00 61.98 62.32 1om2 s VAL 94 Cb -0.10 -0.30 0.13 0.00 0.00 0.00 0.00 36.38 36.11 1om2 s VAL 94 CO 0.34 -0.17 1.02 1.21 0.00 0.00 0.00 175.10 177.49