#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oeq n GLU 3 N 0.00 0.00 -0.01 1.43 4.07 -1.26 -4.83 120.64 120.04 2oeq n GLU 3 Ca 0.00 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.92 2oeq n GLU 3 Cb 0.00 -1.02 -0.08 0.00 -0.06 0.00 0.00 31.44 30.28 2oeq n GLU 3 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 2oeq h PRO 4 N 2.00 0.78 -0.55 5.31 0.11 -2.05 -3.11 132.00 134.49 2oeq h PRO 4 Ca -0.34 -0.67 -0.04 0.00 0.11 0.00 0.00 66.00 65.06 2oeq h PRO 4 Cb 1.00 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2oeq h PRO 4 CO 0.45 1.27 0.19 -0.07 -0.21 0.00 0.00 178.00 179.64 2oeq h LEU 5 N 0.51 0.74 0.92 2.35 4.07 -1.98 0.38 115.31 122.29 2oeq h LEU 5 Ca -0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.75 2oeq h LEU 5 Cb 1.47 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.02 2oeq h LEU 5 CO 0.17 0.68 -0.49 -0.74 -1.08 0.00 0.00 178.44 176.98 2oeq h HIS 6 N 0.79 -1.28 -0.82 1.13 2.76 -1.92 0.11 115.15 115.92 2oeq h HIS 6 Ca 0.19 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.46 2oeq h HIS 6 Cb 0.20 0.44 -0.09 0.00 1.55 0.00 0.00 27.41 29.51 2oeq h HIS 6 CO 0.01 -0.76 0.42 0.00 -1.30 0.00 0.00 177.93 176.30 2oeq h ALA 7 N -1.26 1.19 -0.81 5.26 0.00 -1.40 0.12 119.26 122.37 2oeq h ALA 7 Ca -0.12 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2oeq h ALA 7 Cb 1.01 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2oeq h ALA 7 CO 0.17 -0.04 0.51 -0.07 0.00 0.00 0.00 179.25 179.82 2oeq h LEU 8 N 0.65 0.83 0.02 0.00 3.38 0.09 -1.15 115.31 119.14 2oeq h LEU 8 Ca 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2oeq h LEU 8 Cb 0.53 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2oeq h LEU 8 CO -0.32 0.57 -0.01 0.00 0.09 0.00 0.00 178.44 178.77 2oeq h ALA 9 N 1.35 -0.03 -0.74 1.53 0.00 0.18 -1.51 119.26 120.05 2oeq h ALA 9 Ca 0.33 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.37 2oeq h ALA 9 Cb 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 2oeq h ALA 9 CO -0.13 -0.50 0.26 0.00 0.00 0.00 0.00 179.25 178.88 2oeq h ARG 10 N -0.05 0.37 -0.37 0.00 3.08 -0.65 0.11 114.38 116.86 2oeq h ARG 10 Ca -0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.07 2oeq h ARG 10 Cb 0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 2oeq h ARG 10 CO 0.00 0.25 0.13 1.96 -1.07 0.00 0.00 179.97 181.24 2oeq h GLN 11 N 0.39 0.27 -0.19 0.04 1.08 -0.61 -2.37 115.11 113.72 2oeq h GLN 11 Ca 0.41 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.61 2oeq h GLN 11 Cb 0.65 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2oeq h GLN 11 CO -0.43 0.18 0.08 1.25 -0.95 0.00 0.00 178.83 178.96 2oeq h LEU 12 N 0.28 0.11 -0.54 1.46 5.85 0.11 0.06 115.31 122.65 2oeq h LEU 12 Ca 0.17 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2oeq h LEU 12 Cb 0.15 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.06 2oeq h LEU 12 CO -0.18 0.09 -0.33 -0.08 -0.34 0.00 0.00 178.44 177.61 2oeq h GLU 13 N 0.19 -0.17 -0.14 1.25 4.81 -0.50 0.26 114.58 120.27 2oeq h GLU 13 Ca 0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2oeq h GLU 13 Cb 0.03 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2oeq h GLU 13 CO -0.07 -0.12 -0.09 1.96 -0.73 0.00 0.00 179.01 179.96 2oeq h GLN 14 N -0.18 0.21 0.08 1.92 1.08 -0.92 0.02 115.11 117.32 2oeq h GLN 14 Ca 0.22 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2oeq h GLN 14 Cb 0.55 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2oeq h GLN 14 CO -0.64 0.32 -0.04 0.00 -0.95 0.00 0.00 178.83 177.52 2oeq h ALA 15 N 1.70 -0.11 -0.06 3.87 0.00 0.14 0.62 119.26 125.42 2oeq h ALA 15 Ca 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2oeq h ALA 15 Cb 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2oeq h ALA 15 CO 0.02 -0.40 -0.03 0.82 0.00 0.00 0.00 179.25 179.66 2oeq h ILE 16 N -0.43 0.91 -0.83 0.00 2.04 -0.88 0.21 117.51 118.53 2oeq h ILE 16 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 2oeq h ILE 16 Cb 0.37 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 37.26 2oeq h ILE 16 CO 0.02 0.00 0.40 -0.09 0.00 0.00 0.00 178.15 178.48 2oeq h ARG 17 N -0.02 0.54 -0.01 2.37 2.43 -0.88 -1.73 114.38 117.09 2oeq h ARG 17 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2oeq h ARG 17 Cb 0.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2oeq h ARG 17 CO -0.08 0.36 -0.31 0.00 -1.51 0.00 0.00 179.97 178.43 2oeq n ALA 18 N -2.45 3.20 -1.13 2.80 0.00 0.20 -4.60 120.51 118.53 2oeq n ALA 18 Ca 0.17 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.82 2oeq n ALA 18 Cb 0.45 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 18.95 2oeq n ALA 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2oeq n SER 19 N -0.57 0.26 -0.17 0.00 3.41 0.68 -4.83 113.62 112.39 2oeq n SER 19 Ca 0.11 0.57 -0.05 0.00 -0.26 0.00 0.00 58.87 59.24 2oeq n SER 19 Cb 0.37 -1.42 0.04 0.00 -0.26 0.00 0.00 64.21 62.95 2oeq n SER 19 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2oeq h GLU 20 N -0.81 0.57 0.00 4.33 4.81 -1.90 -2.40 114.58 119.18 2oeq h GLU 20 Ca -0.46 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2oeq h GLU 20 Cb 1.31 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2oeq h GLU 20 CO 0.44 0.38 -0.08 -1.00 -0.73 0.00 0.00 179.01 178.02 2oeq h PRO 21 N 0.59 0.00 0.01 0.92 0.13 -1.92 -2.67 132.00 129.05 2oeq h PRO 21 Ca 0.21 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.10 2oeq h PRO 21 Cb 0.05 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.20 2oeq h PRO 21 CO -0.11 0.08 -0.96 0.35 -0.23 0.00 0.00 178.00 177.13 2oeq h PHE 22 N 0.00 0.94 -0.04 1.56 3.57 -1.68 -2.70 116.94 118.59 2oeq h PHE 22 Ca -0.00 -0.52 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 2oeq h PHE 22 Cb 0.50 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2oeq h PHE 22 CO 0.00 1.36 -0.12 1.96 -2.23 0.00 0.00 178.31 179.28 2oeq h GLN 23 N 0.26 0.06 -0.24 1.11 1.08 -1.36 -1.02 115.11 115.00 2oeq h GLN 23 Ca -0.12 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 2oeq h GLN 23 Cb 1.63 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.04 2oeq h GLN 23 CO 0.19 0.18 -0.08 1.96 -0.95 0.00 0.00 178.83 180.13 2oeq h GLN 24 N 0.06 0.48 0.54 1.46 7.50 -1.33 -1.11 115.11 122.71 2oeq h GLN 24 Ca 0.01 -0.20 -0.02 0.00 0.50 0.00 0.00 58.65 58.95 2oeq h GLN 24 Cb 0.25 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 2oeq h GLN 24 CO 0.02 0.72 -0.47 1.25 -1.50 0.00 0.00 178.83 178.85 2oeq h LEU 25 N 0.21 -1.27 -1.08 1.46 6.46 -1.00 0.32 115.31 120.40 2oeq h LEU 25 Ca 0.06 0.10 0.28 0.00 -0.12 0.00 0.00 57.88 58.19 2oeq h LEU 25 Cb 0.56 0.41 -0.13 0.00 -0.73 0.00 0.00 40.66 40.77 2oeq h LEU 25 CO 0.03 -0.65 0.61 0.50 -0.62 0.00 0.00 178.44 178.31 2oeq h LYS 26 N -0.99 0.44 -0.19 1.25 3.64 -1.24 0.70 116.57 120.17 2oeq h LYS 26 Ca -0.07 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 2oeq h LYS 26 Cb 0.84 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2oeq h LYS 26 CO -0.02 0.29 -0.42 0.00 -2.27 0.00 0.00 179.45 177.03 2oeq h ARG 27 N 0.45 0.45 -0.54 1.90 3.08 0.04 0.69 114.38 120.45 2oeq h ARG 27 Ca 0.67 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 60.43 2oeq h ARG 27 Cb 1.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 2oeq h ARG 27 CO -0.49 0.79 0.09 0.00 -1.07 0.00 0.00 179.97 179.30 2oeq h ALA 28 N 1.18 1.14 0.10 0.04 0.00 0.23 -1.43 119.26 120.53 2oeq h ALA 28 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2oeq h ALA 28 Cb 0.89 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2oeq h ALA 28 CO 0.08 0.57 -0.06 1.88 0.00 0.00 0.00 179.25 181.71 2oeq h TYR 29 N 0.82 -0.15 -0.96 0.00 -1.99 -0.18 -2.63 116.97 111.88 2oeq h TYR 29 Ca 0.17 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.00 2oeq h TYR 29 Cb 0.36 0.05 -0.07 0.00 2.00 0.00 0.00 36.73 39.07 2oeq h TYR 29 CO 0.02 -0.10 0.61 1.49 -0.00 0.00 0.00 178.16 180.19 2oeq h GLU 30 N -0.15 0.96 0.11 4.88 4.57 -0.42 -0.02 114.58 124.50 2oeq h GLU 30 Ca -0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2oeq h GLU 30 Cb 0.13 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2oeq h GLU 30 CO 0.01 0.63 -0.17 -0.44 -1.18 0.00 0.00 179.01 177.87 2oeq h ASP 31 N 0.99 -0.47 0.07 1.04 5.19 -0.91 -1.08 116.42 121.24 2oeq h ASP 31 Ca 0.45 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.92 2oeq h ASP 31 Cb 0.39 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.01 2oeq h ASP 31 CO -0.20 -0.20 -0.52 0.58 -3.12 0.00 0.00 179.24 175.78 2oeq h VAL 32 N -0.29 0.02 -1.18 -1.35 2.07 -1.33 -1.23 116.25 112.96 2oeq h VAL 32 Ca -0.01 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.86 2oeq h VAL 32 Cb 0.26 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 2oeq h VAL 32 CO -0.05 0.00 0.77 -0.09 0.02 0.00 0.00 177.57 178.22 2oeq h ARG 33 N -0.71 0.22 0.00 1.57 2.43 -0.95 0.23 114.38 117.17 2oeq h ARG 33 Ca 0.01 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2oeq h ARG 33 Cb 0.74 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2oeq h ARG 33 CO -0.32 0.15 -1.06 0.07 -1.51 0.00 0.00 179.97 177.30 2oeq h ARG 34 N 0.23 0.00 -5.20 0.20 0.11 -0.38 -3.43 114.38 105.90 2oeq h ARG 34 Ca 0.70 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 60.11 2oeq h ARG 34 Cb 2.05 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.97 2oeq h ARG 34 CO -0.33 0.57 0.13 0.34 0.10 0.00 0.00 179.97 180.77 2oeq s ASP 35 N -6.28 6.27 0.08 0.08 -1.08 0.80 -4.97 116.67 111.55 2oeq s ASP 35 Ca 0.00 -0.66 -0.15 0.00 -0.52 0.00 0.00 52.55 51.22 2oeq s ASP 35 Cb 0.09 -2.31 -0.03 0.00 -1.46 0.00 0.00 42.92 39.20 2oeq s ASP 35 CO 0.79 -0.89 0.85 1.21 0.52 0.00 0.00 175.17 177.66 2oeq n GLU 36 N 6.34 -0.21 0.18 4.34 0.00 -1.26 -1.49 120.64 128.53 2oeq n GLU 36 Ca -0.04 0.84 -0.15 0.00 0.00 0.00 0.00 57.16 57.81 2oeq n GLU 36 Cb 0.46 -1.23 -0.07 0.00 0.00 0.00 0.00 31.44 30.60 2oeq n GLU 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2oeq h THR 37 N 0.00 0.25 -0.21 6.31 1.03 -1.93 0.21 112.91 118.57 2oeq h THR 37 Ca 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.51 2oeq h THR 37 Cb 0.19 0.25 -0.03 0.00 -1.07 0.00 0.00 68.15 67.49 2oeq h THR 37 CO -0.45 0.00 -0.01 0.00 -0.01 0.00 0.00 175.52 175.06 2oeq h ALA 38 N -0.18 0.17 -0.81 0.00 0.00 -1.78 0.34 119.26 117.00 2oeq h ALA 38 Ca -0.00 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2oeq h ALA 38 Cb 0.65 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 2oeq h ALA 38 CO -0.14 -0.44 0.36 -0.92 0.00 0.00 0.00 179.25 178.11 2oeq h TYR 39 N 0.05 0.61 0.00 0.00 5.03 -1.01 0.13 116.97 121.79 2oeq h TYR 39 Ca 0.10 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2oeq h TYR 39 Cb 0.13 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.26 2oeq h TYR 39 CO -0.18 0.08 0.00 -2.13 -1.32 0.00 0.00 178.16 174.60 2oeq n ARG 40 N -4.97 0.00 0.00 1.82 0.63 0.72 -1.55 116.66 113.31 2oeq n ARG 40 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2oeq n ARG 40 Cb 0.47 -0.97 0.00 0.00 0.45 0.00 0.00 32.46 32.41 2oeq n ARG 40 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2oeq n PHE 42 N -0.21 0.00 0.15 -0.14 7.35 0.46 -1.74 117.46 123.33 2oeq n PHE 42 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 2oeq n PHE 42 Cb 0.00 0.00 0.37 0.00 0.35 0.00 0.00 39.48 40.20 2oeq n PHE 42 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2oeq h ALA 43 N 0.00 1.43 0.18 3.13 0.00 -1.53 -2.02 119.26 120.46 2oeq h ALA 43 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2oeq h ALA 43 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2oeq h ALA 43 CO 0.00 0.41 -0.09 -0.97 0.00 0.00 0.00 179.25 178.60 2oeq h ASN 44 N 0.13 -0.20 -1.17 0.00 -1.24 -1.61 0.22 115.58 111.71 2oeq h ASN 44 Ca 0.02 0.01 0.38 0.00 0.71 0.00 0.00 56.30 57.42 2oeq h ASN 44 Cb 0.52 0.05 -0.13 0.00 0.73 0.00 0.00 38.32 39.49 2oeq h ASN 44 CO 0.04 -0.14 0.73 0.58 -1.29 0.00 0.00 177.43 177.34 2oeq h VAL 45 N -0.26 0.20 0.81 2.57 2.07 -1.84 1.05 116.25 120.85 2oeq h VAL 45 Ca -0.02 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2oeq h VAL 45 Cb 0.19 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2oeq h VAL 45 CO 0.04 0.03 -0.39 -0.09 0.02 0.00 0.00 177.57 177.18 2oeq h ARG 46 N 0.17 -1.05 -0.54 1.57 2.43 -1.06 0.15 114.38 116.05 2oeq h ARG 46 Ca 0.77 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 60.12 2oeq h ARG 46 Cb 2.18 0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 31.88 2oeq h ARG 46 CO -0.49 -0.70 0.01 -0.44 -1.51 0.00 0.00 179.97 176.85 2oeq h ASP 47 N -1.27 -0.21 0.03 -3.80 3.32 0.29 1.53 116.42 116.31 2oeq h ASP 47 Ca -0.11 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2oeq h ASP 47 Cb 0.84 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2oeq h ASP 47 CO 0.18 -0.07 -0.03 0.40 -1.72 0.00 0.00 179.24 177.99 2oeq h ILE 48 N 0.13 0.00 -0.97 0.35 1.08 0.99 0.39 117.51 119.49 2oeq h ILE 48 Ca 0.28 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.94 2oeq h ILE 48 Cb 0.43 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.07 2oeq h ILE 48 CO -0.45 0.00 0.56 1.56 -0.69 0.00 0.00 178.15 179.13 2oeq h GLN 49 N -0.06 0.67 -0.76 2.37 4.20 -0.13 0.22 115.11 121.63 2oeq h GLN 49 Ca -0.00 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.69 2oeq h GLN 49 Cb 0.06 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 2oeq h GLN 49 CO -0.01 0.45 0.49 1.25 -0.67 0.00 0.00 178.83 180.33 2oeq h LEU 50 N 0.69 0.82 0.44 1.46 5.85 0.26 0.87 115.31 125.70 2oeq h LEU 50 Ca 0.56 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.25 2oeq h LEU 50 Cb 0.89 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2oeq h LEU 50 CO -0.40 0.57 -0.21 0.03 -0.34 0.00 0.00 178.44 178.09 2oeq h ARG 51 N 0.97 -0.57 -0.30 1.25 3.08 0.30 0.13 114.38 119.23 2oeq h ARG 51 Ca 0.29 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.45 2oeq h ARG 51 Cb -0.03 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 2oeq h ARG 51 CO -0.09 -0.36 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.11 2oeq h LEU 52 N -0.65 -0.89 -0.29 3.04 3.38 -0.83 0.16 115.31 119.22 2oeq h LEU 52 Ca -0.06 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2oeq h LEU 52 Cb 0.49 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2oeq h LEU 52 CO 0.10 -0.30 -0.26 -0.74 0.09 0.00 0.00 178.44 177.34 2oeq h HIS 53 N -0.26 -0.68 -0.54 1.13 2.76 -0.66 0.13 115.15 117.03 2oeq h HIS 53 Ca 0.15 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.46 2oeq h HIS 53 Cb 0.50 0.34 -0.11 0.00 1.55 0.00 0.00 27.41 29.69 2oeq h HIS 53 CO -0.45 -0.33 -0.31 1.49 -1.30 0.00 0.00 177.93 177.04 2oeq h GLU 54 N -0.24 -0.16 0.84 5.26 4.57 0.77 -2.78 114.58 122.83 2oeq h GLU 54 Ca 0.15 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2oeq h GLU 54 Cb 0.48 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2oeq h GLU 54 CO -0.43 -0.11 -0.50 0.87 -1.18 0.00 0.00 179.01 177.67 2oeq h LYS 55 N -0.16 -1.20 -1.36 1.92 1.57 0.10 -0.71 116.57 116.73 2oeq h LYS 55 Ca 0.23 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2oeq h LYS 55 Cb 0.53 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2oeq h LYS 55 CO -0.63 -0.80 0.00 0.94 -0.57 0.00 0.00 179.45 178.39 2oeq n GLN 56 N -5.64 0.00 0.00 3.15 7.27 0.26 -0.23 117.38 122.19 2oeq n GLN 56 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 2oeq n GLN 56 Cb 0.51 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 32.03 2oeq n GLN 56 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2oeq n ARG 58 N 0.75 0.00 -0.82 3.69 1.74 -0.27 -4.41 116.66 117.34 2oeq n ARG 58 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2oeq n ARG 58 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2oeq n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oeq n GLY 59 N 0.00 0.51 3.90 -0.13 0.00 0.68 -5.07 105.19 105.08 2oeq n GLY 59 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 2oeq n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oeq s ALA 60 N -2.00 3.29 0.44 4.61 0.00 -0.62 -5.04 121.76 122.44 2oeq s ALA 60 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 2oeq s ALA 60 Cb 0.00 -2.72 -0.08 0.00 0.00 0.00 0.00 23.12 20.32 2oeq s ALA 60 CO 0.00 -0.58 1.31 0.00 0.00 0.00 0.00 175.76 176.49 2oeq s ALA 61 N -2.93 3.14 -0.47 0.00 0.00 -1.26 -4.51 121.76 115.72 2oeq s ALA 61 Ca 0.51 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.76 2oeq s ALA 61 Cb -0.11 -3.50 0.21 0.00 0.00 0.00 0.00 23.12 19.72 2oeq s ALA 61 CO 0.47 -0.93 0.47 -0.89 0.00 0.00 0.00 175.76 174.88 2oeq n ILE 62 N -0.19 -0.22 -1.44 0.00 5.41 -1.26 -4.99 119.36 116.67 2oeq n ILE 62 Ca 0.05 -4.04 -0.35 0.00 1.00 0.00 0.00 62.75 59.42 2oeq n ILE 62 Cb 0.44 -1.88 0.09 0.00 -0.71 0.00 0.00 39.64 37.58 2oeq n ILE 62 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2oeq s LEU 63 N -0.87 3.34 0.04 1.39 0.05 -1.26 -4.75 118.68 116.63 2oeq s LEU 63 Ca 0.33 2.42 0.03 0.00 0.05 0.00 0.00 54.13 56.96 2oeq s LEU 63 Cb 0.08 -4.60 0.14 0.00 -2.05 0.00 0.00 46.19 39.77 2oeq s LEU 63 CO -0.14 -2.29 1.00 -0.81 -0.55 0.00 0.00 176.35 173.56 2oeq n PRO 64 N -2.65 0.02 0.00 1.48 -0.04 -1.26 -1.29 135.00 131.26 2oeq n PRO 64 Ca 0.14 0.45 0.03 0.00 -0.04 0.00 0.00 63.50 64.08 2oeq n PRO 64 Cb 0.50 -1.64 0.16 0.00 -0.04 0.00 0.00 33.50 32.48 2oeq n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2oeq n ASP 65 N -1.53 0.00 0.05 3.54 8.00 -1.26 0.21 116.55 125.56 2oeq n ASP 65 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2oeq n ASP 65 Cb 0.09 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2oeq n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2oeq n GLU 66 N -1.16 0.00 0.00 -1.24 1.02 -0.41 -4.51 120.64 114.33 2oeq n GLU 66 Ca 0.04 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2oeq n GLU 66 Cb 0.04 -0.49 0.14 0.00 -0.02 0.00 0.00 31.44 31.10 2oeq n GLU 66 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2oeq n ILE 67 N -3.44 1.36 0.00 -3.67 0.13 -1.20 -1.24 119.36 111.29 2oeq n ILE 67 Ca 0.00 0.34 -0.00 0.00 -1.10 0.00 0.00 62.75 61.99 2oeq n ILE 67 Cb 0.06 -1.24 -0.00 0.00 -0.84 0.00 0.00 39.64 37.62 2oeq n ILE 67 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2oeq h GLU 68 N 0.00 -0.00 -0.08 9.51 4.39 -0.50 -3.11 114.58 124.78 2oeq h GLU 68 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2oeq h GLU 68 Cb 0.09 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 2oeq h GLU 68 CO 0.00 -0.00 -0.23 -0.56 -1.16 0.00 0.00 179.01 177.06 2oeq h GLN 69 N -0.03 -0.31 -1.04 2.33 3.07 -1.69 0.19 115.11 117.64 2oeq h GLN 69 Ca -0.00 0.02 0.42 0.00 0.09 0.00 0.00 58.65 59.18 2oeq h GLN 69 Cb 0.00 0.07 -0.17 0.00 0.08 0.00 0.00 27.48 27.46 2oeq h GLN 69 CO 0.00 -0.21 0.57 0.00 0.09 0.00 0.00 178.83 179.29 2oeq h ALA 70 N 0.59 2.22 0.00 0.06 0.00 -1.35 4.30 119.26 125.08 2oeq h ALA 70 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2oeq h ALA 70 Cb 0.44 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2oeq h ALA 70 CO -0.26 -0.99 0.00 1.04 0.00 0.00 0.00 179.25 179.04 2oeq n GLN 71 N -5.20 0.20 -0.08 0.00 6.02 0.64 -2.75 117.38 116.21 2oeq n GLN 71 Ca 0.38 0.33 -0.12 0.00 -0.01 0.00 0.00 57.00 57.58 2oeq n GLN 71 Cb 1.30 -1.81 -0.06 0.00 1.02 0.00 0.00 30.24 30.69 2oeq n GLN 71 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2oeq h LYS 72 N 0.00 0.00 0.00 -1.09 1.57 0.82 -3.25 116.57 114.62 2oeq h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2oeq h LYS 72 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2oeq h LYS 72 CO 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2oeq n ALA 73 N -3.50 0.00 -0.03 3.86 0.00 0.38 -2.45 120.51 118.76 2oeq n ALA 73 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2oeq n ALA 73 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2oeq n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oeq n ALA 75 N 0.00 0.00 0.59 0.00 0.00 -1.23 -3.57 120.51 116.30 2oeq n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2oeq n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2oeq n ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2oeq n LEU 76 N 0.00 1.41 -0.01 0.00 4.32 -1.03 -0.33 117.00 121.37 2oeq n LEU 76 Ca 0.00 -0.71 -0.02 0.00 -0.02 0.00 0.00 56.01 55.27 2oeq n LEU 76 Cb 0.00 -0.29 -0.01 0.00 -1.62 0.00 0.00 43.42 41.50 2oeq n LEU 76 CO 0.00 0.25 -0.57 0.00 -1.22 0.00 0.00 177.39 175.85 2oeq n ALA 77 N 0.56 2.24 0.24 -1.18 0.00 -1.23 -4.18 120.51 116.95 2oeq n ALA 77 Ca 0.00 -0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.51 2oeq n ALA 77 Cb 0.25 0.46 0.84 0.00 0.00 0.00 0.00 19.45 21.00 2oeq n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2oeq h GLN 78 N -0.03 0.00 0.00 0.00 5.75 -0.96 -2.81 115.11 117.06 2oeq h GLN 78 Ca -0.05 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 2oeq h GLN 78 Cb 1.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 2oeq h GLN 78 CO -0.02 0.00 -0.41 1.96 -2.65 0.00 0.00 178.83 177.72 2oeq h GLN 79 N 0.00 0.00 -6.02 1.69 1.08 -1.61 -3.42 115.11 106.82 2oeq h GLN 79 Ca 0.00 0.00 -0.74 0.00 -1.45 0.00 0.00 58.65 56.46 2oeq h GLN 79 Cb 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2oeq h GLN 79 CO 0.00 0.52 1.23 -1.71 -0.95 0.00 0.00 178.83 177.92 2oeq n ASN 80 N -4.62 1.62 -0.23 1.46 2.85 -1.06 -4.76 115.26 110.52 2oeq n ASN 80 Ca -0.12 0.70 -0.05 0.00 -0.11 0.00 0.00 54.58 55.00 2oeq n ASN 80 Cb 0.35 -1.08 0.01 0.00 1.24 0.00 0.00 39.78 40.31 2oeq n ASN 80 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2oeq h GLU 81 N 9.61 -0.13 0.06 1.20 5.08 -1.88 0.52 114.58 129.03 2oeq h GLU 81 Ca -0.26 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2oeq h GLU 81 Cb 1.36 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 2oeq h GLU 81 CO 1.03 -0.09 -0.23 0.87 -1.00 0.00 0.00 179.01 179.60 2oeq h LYS 82 N -0.14 -0.37 -0.08 2.33 1.57 -1.95 -1.33 116.57 116.61 2oeq h LYS 82 Ca 0.25 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2oeq h LYS 82 Cb 0.56 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2oeq h LYS 82 CO -0.73 -0.25 -0.24 1.25 -0.57 0.00 0.00 179.45 178.91 2oeq h LEU 83 N -0.39 0.13 0.36 2.94 5.85 -1.59 -2.77 115.31 119.84 2oeq h LEU 83 Ca 0.04 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2oeq h LEU 83 Cb 0.44 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2oeq h LEU 83 CO -0.17 0.38 -0.17 0.00 -0.34 0.00 0.00 178.44 178.14 2oeq h ALA 84 N 1.63 -0.48 -0.64 1.25 0.00 0.77 -3.03 119.26 118.77 2oeq h ALA 84 Ca 0.02 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.92 2oeq h ALA 84 Cb 0.50 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2oeq h ALA 84 CO 0.03 -0.70 0.05 -0.09 0.00 0.00 0.00 179.25 178.55 2oeq h ARG 85 N -0.62 0.16 0.00 0.00 9.65 -1.17 0.37 114.38 122.77 2oeq h ARG 85 Ca -0.05 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2oeq h ARG 85 Cb 0.45 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 2oeq h ARG 85 CO 0.08 0.11 0.00 -0.11 2.80 0.00 0.00 179.97 182.85 2oeq n LEU 86 N -5.24 0.00 0.00 3.80 0.00 -1.06 0.06 117.00 114.57 2oeq n LEU 86 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.11 2oeq n LEU 86 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.79 2oeq n LEU 86 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.51 2oeq n ALA 88 N 0.38 0.00 -0.37 1.96 0.00 0.13 0.54 120.51 123.15 2oeq n ALA 88 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.72 2oeq n ALA 88 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 2oeq n ALA 88 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2oeq h LEU 89 N 0.00 0.40 -0.27 0.00 3.38 -0.62 -0.42 115.31 117.78 2oeq h LEU 89 Ca 0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2oeq h LEU 89 Cb 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2oeq h LEU 89 CO 0.00 -0.07 0.07 -0.08 0.09 0.00 0.00 178.44 178.45 2oeq h GLU 90 N 0.27 0.18 -0.33 1.13 4.57 -0.11 -2.80 114.58 117.48 2oeq h GLU 90 Ca 0.71 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.73 2oeq h GLU 90 Cb 1.91 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.45 2oeq h GLU 90 CO -0.44 0.12 -0.42 0.37 -1.18 0.00 0.00 179.01 177.46 2oeq h GLN 91 N 0.19 0.84 0.00 1.92 4.15 -1.33 -0.25 115.11 120.62 2oeq h GLN 91 Ca 0.12 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 59.09 2oeq h GLN 91 Cb 0.11 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2oeq h GLN 91 CO -0.14 1.09 0.00 0.94 -1.93 0.00 0.00 178.83 178.79 2oeq n GLN 92 N -4.04 0.00 0.00 1.69 7.27 -0.81 -0.96 117.38 120.53 2oeq n GLN 92 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2oeq n GLN 92 Cb 0.55 -0.86 0.00 0.00 2.41 0.00 0.00 30.24 32.35 2oeq n GLN 92 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2oeq n SER 94 N 0.13 0.00 -0.14 1.69 2.88 -0.11 -0.23 113.62 117.84 2oeq n SER 94 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2oeq n SER 94 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2oeq n SER 94 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2oeq h ILE 95 N 0.00 1.20 0.19 2.46 5.03 -1.33 -0.84 117.51 124.22 2oeq h ILE 95 Ca 0.00 -0.60 0.01 0.00 -0.12 0.00 0.00 64.86 64.15 2oeq h ILE 95 Cb 0.00 0.84 -0.02 0.00 -3.03 0.00 0.00 36.82 34.61 2oeq h ILE 95 CO 0.00 0.22 -0.23 0.74 -0.68 0.00 0.00 178.15 178.19 2oeq h THR 96 N 0.50 0.49 -0.17 -0.27 2.02 -0.82 -1.62 112.91 113.04 2oeq h THR 96 Ca 0.13 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 2oeq h THR 96 Cb 0.19 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2oeq h THR 96 CO -0.01 0.00 -0.18 0.16 0.37 0.00 0.00 175.52 175.86 2oeq h ILE 97 N -0.48 1.21 -0.67 3.11 -0.00 -1.80 -1.63 117.51 117.26 2oeq h ILE 97 Ca 0.01 -0.97 0.04 0.00 -0.00 0.00 0.00 64.86 63.94 2oeq h ILE 97 Cb 0.46 1.29 -0.04 0.00 -0.00 0.00 0.00 36.82 38.53 2oeq h ILE 97 CO -0.08 0.30 0.44 0.00 -0.00 0.00 0.00 178.15 178.81 2oeq h ALA 98 N 1.55 1.64 -0.25 0.16 0.00 -0.53 0.14 119.26 121.98 2oeq h ALA 98 Ca 0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2oeq h ALA 98 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2oeq h ALA 98 CO 0.03 0.28 -0.53 0.93 0.00 0.00 0.00 179.25 179.97 2oeq h GLU 99 N 0.78 0.74 -0.73 0.00 5.08 -0.41 -2.82 114.58 117.22 2oeq h GLU 99 Ca 0.27 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2oeq h GLU 99 Cb 0.09 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2oeq h GLU 99 CO -0.08 1.08 0.32 0.28 -1.00 0.00 0.00 179.01 179.62 2oeq h VAL 100 N 0.57 1.24 -0.18 3.13 2.07 -0.26 -1.08 116.25 121.74 2oeq h VAL 100 Ca 0.02 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2oeq h VAL 100 Cb 1.11 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2oeq h VAL 100 CO 0.11 0.29 -0.05 1.56 0.02 0.00 0.00 177.57 179.51 2oeq h GLN 101 N 1.05 0.27 -0.11 1.57 4.20 -0.62 -2.62 115.11 118.85 2oeq h GLN 101 Ca 0.25 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 2oeq h GLN 101 Cb 0.15 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2oeq h GLN 101 CO -0.03 0.34 -0.07 0.37 -0.67 0.00 0.00 178.83 178.78 2oeq h GLN 102 N 0.27 0.24 -0.54 1.46 5.75 -0.98 -3.12 115.11 118.19 2oeq h GLN 102 Ca 0.06 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2oeq h GLN 102 Cb 0.26 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2oeq h GLN 102 CO 0.01 0.60 0.36 0.82 -2.65 0.00 0.00 178.83 177.97 2oeq h ILE 103 N -0.12 1.08 0.00 2.39 2.04 -1.10 -2.65 117.51 119.15 2oeq h ILE 103 Ca 0.02 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2oeq h ILE 103 Cb 0.54 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2oeq h ILE 103 CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2oeq n ALA 104 N -2.47 1.80 0.00 1.87 0.00 -1.01 -4.51 120.51 116.19 2oeq n ALA 104 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2oeq n ALA 104 Cb 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2oeq n ALA 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2oeq n LYS 106 N 1.30 0.00 -0.21 0.00 3.00 -1.00 -4.69 118.16 116.56 2oeq n LYS 106 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2oeq n LYS 106 Cb 0.10 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.19 2oeq n LYS 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2oeq h PRO 107 N 0.00 0.01 -0.03 1.64 0.11 -1.93 0.25 132.00 132.05 2oeq h PRO 107 Ca 0.00 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2oeq h PRO 107 Cb 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2oeq h PRO 107 CO 0.00 0.01 -0.40 1.25 -0.21 0.00 0.00 178.00 178.64 2oeq h LEU 108 N 0.01 0.07 -0.49 2.35 5.85 -1.97 -1.96 115.31 119.17 2oeq h LEU 108 Ca 0.30 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.83 2oeq h LEU 108 Cb 0.47 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2oeq h LEU 108 CO -0.63 0.47 -0.74 -0.33 -0.34 0.00 0.00 178.44 176.86 2oeq h GLU 109 N 0.06 0.13 -0.15 1.25 5.08 -1.40 0.74 114.58 120.28 2oeq h GLU 109 Ca 0.00 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.07 2oeq h GLU 109 Cb 0.74 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2oeq h GLU 109 CO 0.05 0.81 -0.65 0.93 -1.00 0.00 0.00 179.01 179.15 2oeq h GLU 110 N 0.08 0.57 -0.13 2.33 5.08 -0.38 -1.76 114.58 120.37 2oeq h GLU 110 Ca -0.02 -0.41 -0.18 0.00 -1.00 0.00 0.00 59.36 57.74 2oeq h GLU 110 Cb 1.30 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 2oeq h GLU 110 CO 0.11 1.03 -0.68 1.25 -1.00 0.00 0.00 179.01 179.72 2oeq h LEU 111 N 0.42 0.63 -1.24 1.33 6.46 -1.22 -2.07 115.31 119.62 2oeq h LEU 111 Ca -0.01 -0.38 -0.05 0.00 -0.12 0.00 0.00 57.88 57.31 2oeq h LEU 111 Cb 1.22 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 2oeq h LEU 111 CO 0.12 1.13 -0.03 0.45 -0.62 0.00 0.00 178.44 179.49 2oeq h HIS 112 N 0.39 0.50 -0.20 1.25 3.86 -0.76 -1.09 115.15 119.10 2oeq h HIS 112 Ca -0.02 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2oeq h HIS 112 Cb 1.25 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.53 2oeq h HIS 112 CO 0.05 0.52 -0.10 -0.09 0.86 0.00 0.00 177.93 179.17 2oeq h ARG 113 N 0.46 -0.07 0.84 2.45 9.65 -0.68 -2.64 114.38 124.38 2oeq h ARG 113 Ca 0.10 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 2oeq h ARG 113 Cb 0.35 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2oeq h ARG 113 CO 0.01 -0.05 -0.43 0.77 2.80 0.00 0.00 179.97 183.08 2oeq h SER 114 N -0.07 -1.03 0.00 -3.80 0.02 -0.70 -3.51 113.55 104.45 2oeq h SER 114 Ca 0.11 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2oeq h SER 114 Cb 0.24 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2oeq h SER 114 CO -0.24 -0.70 0.00 0.49 -1.14 0.00 0.00 176.83 175.23