#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oeq s GLU 3 N 0.00 4.11 0.30 -1.46 2.56 -1.26 -4.88 118.70 118.06 2oeq s GLU 3 Ca 0.00 2.14 -0.00 0.00 0.00 0.00 0.00 54.97 57.11 2oeq s GLU 3 Cb 0.00 -4.01 0.69 0.00 2.00 0.00 0.00 34.13 32.81 2oeq s GLU 3 CO 0.00 -0.94 1.58 -1.00 -0.56 0.00 0.00 175.26 174.34 2oeq h PRO 4 N 9.87 0.02 -0.32 4.30 0.13 -2.06 -0.78 132.00 143.16 2oeq h PRO 4 Ca -0.39 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2oeq h PRO 4 Cb 1.18 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2oeq h PRO 4 CO 0.96 0.01 0.16 -0.07 -0.23 0.00 0.00 178.00 178.83 2oeq h LEU 5 N 0.02 0.41 -0.42 1.56 3.38 -1.99 -0.61 115.31 117.65 2oeq h LEU 5 Ca 0.57 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.52 2oeq h LEU 5 Cb 1.13 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 2oeq h LEU 5 CO -0.91 0.40 -0.14 0.45 0.09 0.00 0.00 178.44 178.33 2oeq h HIS 6 N 0.39 -0.33 -0.42 1.13 3.86 -1.54 -0.01 115.15 118.22 2oeq h HIS 6 Ca 0.11 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2oeq h HIS 6 Cb 0.09 0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 2oeq h HIS 6 CO -0.02 -0.23 0.27 0.00 0.86 0.00 0.00 177.93 178.81 2oeq h ALA 7 N 1.32 0.53 -0.90 2.45 0.00 -1.14 -0.22 119.26 121.30 2oeq h ALA 7 Ca 0.21 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2oeq h ALA 7 Cb 0.36 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2oeq h ALA 7 CO -0.46 -0.04 0.59 -0.07 0.00 0.00 0.00 179.25 179.27 2oeq h LEU 8 N 0.54 0.89 -0.47 0.00 3.38 0.03 0.02 115.31 119.70 2oeq h LEU 8 Ca 0.16 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2oeq h LEU 8 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2oeq h LEU 8 CO -0.05 0.56 -0.20 0.00 0.09 0.00 0.00 178.44 178.84 2oeq h ALA 9 N 1.52 0.66 -0.36 1.53 0.00 -0.27 0.15 119.26 122.49 2oeq h ALA 9 Ca 0.39 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2oeq h ALA 9 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2oeq h ALA 9 CO -0.15 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 2oeq h ARG 10 N 0.82 0.58 0.20 0.00 3.08 -0.20 0.52 114.38 119.37 2oeq h ARG 10 Ca 0.11 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2oeq h ARG 10 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2oeq h ARG 10 CO 0.06 0.63 -0.10 0.37 -1.07 0.00 0.00 179.97 179.86 2oeq h GLN 11 N 0.55 -0.27 -0.75 0.04 5.75 -0.53 -1.97 115.11 117.93 2oeq h GLN 11 Ca 0.11 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.75 2oeq h GLN 11 Cb 0.40 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 28.93 2oeq h GLN 11 CO 0.02 -0.18 0.35 1.25 -2.65 0.00 0.00 178.83 177.62 2oeq h LEU 12 N -0.28 0.42 0.44 -2.39 5.85 0.36 -1.95 115.31 117.77 2oeq h LEU 12 Ca -0.03 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2oeq h LEU 12 Cb 0.22 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2oeq h LEU 12 CO 0.04 0.21 -0.48 -0.08 -0.34 0.00 0.00 178.44 177.78 2oeq h GLU 13 N 0.56 -0.90 -0.79 1.25 4.81 -0.38 -1.56 114.58 117.56 2oeq h GLU 13 Ca 0.39 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.85 2oeq h GLU 13 Cb 0.50 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 2oeq h GLU 13 CO -0.33 -0.60 0.53 0.37 -0.73 0.00 0.00 179.01 178.25 2oeq h GLN 14 N -0.93 0.40 -0.26 1.92 5.75 -0.92 -0.67 115.11 120.40 2oeq h GLN 14 Ca -0.06 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 2oeq h GLN 14 Cb 0.82 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 2oeq h GLN 14 CO -0.08 0.27 -0.08 0.00 -2.65 0.00 0.00 178.83 176.29 2oeq h ALA 15 N 1.63 0.37 -0.32 3.38 0.00 -0.96 -1.24 119.26 122.13 2oeq h ALA 15 Ca 0.40 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2oeq h ALA 15 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2oeq h ALA 15 CO -0.13 0.19 0.17 0.82 0.00 0.00 0.00 179.25 180.30 2oeq h ILE 16 N 0.27 1.01 -0.24 0.00 2.04 -0.17 0.12 117.51 120.53 2oeq h ILE 16 Ca 0.06 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2oeq h ILE 16 Cb 0.57 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2oeq h ILE 16 CO 0.03 0.06 -0.08 0.03 0.00 0.00 0.00 178.15 178.20 2oeq h ARG 17 N 0.35 -0.02 0.00 2.37 3.08 -1.00 -1.32 114.38 117.84 2oeq h ARG 17 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2oeq h ARG 17 Cb 0.03 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2oeq h ARG 17 CO -0.08 -0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.81 2oeq h ALA 18 N 1.20 1.00 -1.92 0.04 0.00 -0.92 -3.40 119.26 115.27 2oeq h ALA 18 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.58 2oeq h ALA 18 Cb 0.21 0.00 0.23 0.00 0.00 0.00 0.00 17.79 18.22 2oeq h ALA 18 CO -0.26 0.00 -0.54 -1.13 0.00 0.00 0.00 179.25 177.32 2oeq n SER 19 N -2.35 -2.07 -0.02 0.00 3.41 0.39 -4.88 113.62 108.11 2oeq n SER 19 Ca 0.03 -0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.33 2oeq n SER 19 Cb 0.29 -1.11 -0.11 0.00 -0.26 0.00 0.00 64.21 63.02 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 -2.39 0.31 0.00 4.33 4.81 -1.89 -3.18 114.58 116.58 2oeq h GLU 20 Ca -0.58 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.34 2oeq h GLU 20 Cb 1.35 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 2oeq h GLU 20 CO 0.44 1.00 -0.02 -1.00 -0.73 0.00 0.00 179.01 178.69 2oeq h PRO 21 N -0.26 0.00 0.14 0.92 0.13 -1.92 0.26 132.00 131.27 2oeq h PRO 21 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2oeq h PRO 21 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2oeq h PRO 21 CO 0.08 0.02 -0.07 0.35 -0.23 0.00 0.00 178.00 178.16 2oeq h PHE 22 N 0.00 -0.17 -0.84 1.56 3.04 -1.79 -1.60 116.94 117.14 2oeq h PHE 22 Ca -0.00 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 2oeq h PHE 22 Cb 0.04 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 2oeq h PHE 22 CO 0.00 0.28 0.54 1.96 -2.02 0.00 0.00 178.31 179.08 2oeq h GLN 23 N -0.75 0.75 0.11 1.11 1.08 -1.37 1.05 115.11 117.09 2oeq h GLN 23 Ca -0.02 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2oeq h GLN 23 Cb 0.53 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2oeq h GLN 23 CO 0.03 0.50 -0.15 1.96 -0.95 0.00 0.00 178.83 180.22 2oeq h GLN 24 N 0.77 -0.29 0.18 1.46 1.08 -0.38 0.68 115.11 118.61 2oeq h GLN 24 Ca 0.39 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.62 2oeq h GLN 24 Cb 0.47 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2oeq h GLN 24 CO -0.16 -0.20 -0.23 1.25 -0.95 0.00 0.00 178.83 178.55 2oeq h LEU 25 N -0.30 -0.62 -0.55 1.46 5.85 0.34 0.37 115.31 121.86 2oeq h LEU 25 Ca 0.02 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.91 2oeq h LEU 25 Cb 0.31 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 2oeq h LEU 25 CO -0.07 -0.32 0.02 0.50 -0.34 0.00 0.00 178.44 178.23 2oeq h LYS 26 N -0.46 0.14 -0.16 1.25 3.64 0.12 0.82 116.57 121.93 2oeq h LYS 26 Ca 0.01 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2oeq h LYS 26 Cb 0.45 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2oeq h LYS 26 CO -0.09 0.09 -0.23 0.00 -2.27 0.00 0.00 179.45 176.95 2oeq h ARG 27 N 0.14 0.28 -0.32 1.90 3.08 -0.24 -1.80 114.38 117.42 2oeq h ARG 27 Ca 0.29 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2oeq h ARG 27 Cb 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2oeq h ARG 27 CO -0.45 0.50 0.21 0.00 -1.07 0.00 0.00 179.97 179.16 2oeq h ALA 28 N 1.51 0.41 0.00 0.04 0.00 0.21 -1.72 119.26 119.71 2oeq h ALA 28 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2oeq h ALA 28 Cb 0.55 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2oeq h ALA 28 CO 0.04 -0.11 -0.14 1.88 0.00 0.00 0.00 179.25 180.91 2oeq h TYR 29 N 0.43 -0.37 -0.96 0.00 -1.99 -0.90 -2.10 116.97 111.08 2oeq h TYR 29 Ca 0.12 0.01 0.30 0.00 2.00 0.00 0.00 58.73 61.16 2oeq h TYR 29 Cb -0.03 0.16 -0.15 0.00 2.00 0.00 0.00 36.73 38.71 2oeq h TYR 29 CO -0.05 -0.21 0.42 0.93 -0.00 0.00 0.00 178.16 179.25 2oeq h GLU 30 N -0.24 0.23 0.00 4.88 3.07 -0.80 -0.16 114.58 121.55 2oeq h GLU 30 Ca 0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2oeq h GLU 30 Cb 0.30 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2oeq h GLU 30 CO -0.14 0.15 0.00 -0.25 -1.40 0.00 0.00 179.01 177.37 2oeq n ASP 31 N -5.16 0.00 0.08 1.42 10.43 -0.70 -2.02 116.55 120.60 2oeq n ASP 31 Ca 0.28 0.64 0.02 0.00 2.57 0.00 0.00 54.79 58.31 2oeq n ASP 31 Cb 0.90 -0.18 0.13 0.00 1.84 0.00 0.00 41.12 43.81 2oeq n ASP 31 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 2oeq n VAL 32 N -1.04 0.73 0.04 2.53 3.14 -1.06 0.69 118.33 123.35 2oeq n VAL 32 Ca 0.00 0.61 0.02 0.00 -2.96 0.00 0.00 64.34 62.01 2oeq n VAL 32 Cb 0.00 -1.61 -0.08 0.00 -1.06 0.00 0.00 33.84 31.09 2oeq n VAL 32 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2oeq n ARG 33 N -1.58 0.62 0.00 1.45 0.63 -0.10 -2.72 116.66 114.97 2oeq n ARG 33 Ca -0.00 0.18 0.09 0.00 -0.92 0.00 0.00 57.85 57.21 2oeq n ARG 33 Cb 0.33 -1.79 0.05 0.00 0.45 0.00 0.00 32.46 31.50 2oeq n ARG 33 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2oeq n ARG 34 N -2.83 1.64 -3.32 -0.14 1.74 0.22 -4.79 116.66 109.17 2oeq n ARG 34 Ca -0.09 -1.39 -0.45 0.00 -0.77 0.00 0.00 57.85 55.15 2oeq n ARG 34 Cb 0.80 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.81 2oeq n ARG 34 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2oeq s ASP 35 N -1.78 6.17 0.47 0.55 3.68 -0.76 -4.94 116.67 120.07 2oeq s ASP 35 Ca 0.20 -1.42 0.30 0.00 2.13 0.00 0.00 52.55 53.76 2oeq s ASP 35 Cb 0.16 -2.21 1.38 0.00 -1.45 0.00 0.00 42.92 40.80 2oeq s ASP 35 CO 0.32 -0.77 1.75 -0.08 0.13 0.00 0.00 175.17 176.52 2oeq h GLU 36 N 8.85 0.15 0.52 4.34 4.81 -1.89 0.45 114.58 131.82 2oeq h GLU 36 Ca -0.29 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2oeq h GLU 36 Cb 1.10 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.45 2oeq h GLU 36 CO 0.95 0.10 -0.25 1.15 -0.73 0.00 0.00 179.01 180.23 2oeq h THR 37 N 0.16 0.00 0.00 0.32 2.02 -1.93 -2.91 112.91 110.56 2oeq h THR 37 Ca 0.64 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2oeq h THR 37 Cb 2.14 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2oeq h THR 37 CO -0.18 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.61 2oeq h ALA 38 N -1.23 1.21 -0.16 6.16 0.00 -1.72 -2.86 119.26 120.66 2oeq h ALA 38 Ca -0.07 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2oeq h ALA 38 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2oeq h ALA 38 CO 0.12 0.12 -0.71 -0.92 0.00 0.00 0.00 179.25 177.86 2oeq h TYR 39 N 0.00 0.91 0.00 0.00 3.20 -0.72 -1.59 116.97 118.77 2oeq h TYR 39 Ca -0.00 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2oeq h TYR 39 Cb 0.34 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2oeq h TYR 39 CO 0.00 1.19 0.00 0.54 -1.64 0.00 0.00 178.16 178.25 2oeq n ARG 40 N -3.92 0.19 0.00 1.82 1.74 -1.08 -0.68 116.66 114.73 2oeq n ARG 40 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2oeq n ARG 40 Cb 0.71 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 2oeq n ARG 40 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2oeq n PHE 42 N 0.44 0.00 -0.11 -1.55 7.35 -0.60 0.44 117.46 123.42 2oeq n PHE 42 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 2oeq n PHE 42 Cb 0.05 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.88 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 -0.08 -0.59 3.13 0.00 -1.16 -0.13 119.26 120.44 2oeq h ALA 43 Ca 0.00 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2oeq h ALA 43 Cb 0.00 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 2oeq h ALA 43 CO 0.00 -0.66 -0.12 -0.97 0.00 0.00 0.00 179.25 177.49 2oeq h ASN 44 N -0.21 -0.50 0.06 0.00 -1.24 -0.25 0.21 115.58 113.65 2oeq h ASN 44 Ca 0.18 0.17 -0.06 0.00 0.71 0.00 0.00 56.30 57.31 2oeq h ASN 44 Cb 0.50 0.35 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 2oeq h ASN 44 CO -0.51 -0.18 -0.17 0.58 -1.29 0.00 0.00 177.43 175.86 2oeq h VAL 45 N 0.02 1.19 0.21 2.57 2.07 -1.37 -2.36 116.25 118.58 2oeq h VAL 45 Ca 0.29 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2oeq h VAL 45 Cb 0.44 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2oeq h VAL 45 CO -0.59 0.27 -0.10 -0.09 0.02 0.00 0.00 177.57 177.08 2oeq h ARG 46 N 0.21 -0.28 -0.20 1.57 2.43 0.11 -2.75 114.38 115.46 2oeq h ARG 46 Ca 0.04 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2oeq h ARG 46 Cb 0.43 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2oeq h ARG 46 CO 0.03 0.04 0.12 -0.44 -1.51 0.00 0.00 179.97 178.21 2oeq h ASP 47 N -0.62 0.24 -0.90 -3.80 3.32 -1.11 0.98 116.42 114.54 2oeq h ASP 47 Ca -0.03 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.07 2oeq h ASP 47 Cb 0.45 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 2oeq h ASP 47 CO 0.05 0.22 0.54 -0.29 -1.72 0.00 0.00 179.24 178.04 2oeq h ILE 48 N 0.24 0.94 0.00 0.35 6.09 -1.50 0.76 117.51 124.39 2oeq h ILE 48 Ca 0.07 -0.31 -0.15 0.00 -1.37 0.00 0.00 64.86 63.10 2oeq h ILE 48 Cb 0.03 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 37.25 2oeq h ILE 48 CO -0.01 0.16 -0.72 -0.61 -3.07 0.00 0.00 178.15 173.90 2oeq h GLN 49 N 0.90 0.00 0.00 2.19 4.15 -1.16 -2.22 115.11 118.98 2oeq h GLN 49 Ca 0.43 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.68 2oeq h GLN 49 Cb 0.37 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 2oeq h GLN 49 CO -0.24 0.72 -0.80 1.25 -1.93 0.00 0.00 178.83 177.83 2oeq h LEU 50 N 0.00 0.00 0.10 -2.39 6.46 0.36 -2.90 115.31 116.94 2oeq h LEU 50 Ca -0.01 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 2oeq h LEU 50 Cb 1.38 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.32 2oeq h LEU 50 CO 0.09 0.80 -0.63 0.03 -0.62 0.00 0.00 178.44 178.11 2oeq h ARG 51 N 0.00 0.21 -0.86 1.25 3.08 0.43 -3.26 114.38 115.24 2oeq h ARG 51 Ca -0.01 -0.37 0.13 0.00 0.07 0.00 0.00 59.98 59.81 2oeq h ARG 51 Cb 1.48 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.60 2oeq h ARG 51 CO 0.10 1.18 0.56 -0.07 -1.07 0.00 0.00 179.97 180.67 2oeq h LEU 52 N -0.54 0.64 0.58 3.04 3.38 -1.48 -1.58 115.31 119.34 2oeq h LEU 52 Ca -0.12 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2oeq h LEU 52 Cb 1.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2oeq h LEU 52 CO 0.10 0.34 -0.44 -0.74 0.09 0.00 0.00 178.44 177.80 2oeq h HIS 53 N 0.68 -1.18 0.00 1.13 2.76 -1.58 -1.78 115.15 115.18 2oeq h HIS 53 Ca 0.42 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 2oeq h HIS 53 Cb 0.66 0.44 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2oeq h HIS 53 CO -0.00 -0.62 0.00 0.93 -1.30 0.00 0.00 177.93 176.94 2oeq h GLU 54 N -0.97 0.00 0.00 5.26 5.08 -1.52 0.71 114.58 123.13 2oeq h GLU 54 Ca -0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2oeq h GLU 54 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2oeq h GLU 54 CO 0.02 0.00 -0.45 -0.22 -1.00 0.00 0.00 179.01 177.36 2oeq h LYS 55 N 0.00 0.00 -1.05 2.33 3.64 -0.85 -2.56 116.57 118.09 2oeq h LYS 55 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2oeq h LYS 55 Cb 0.13 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 2oeq h LYS 55 CO 0.00 0.45 0.10 0.94 -2.27 0.00 0.00 179.45 178.67 2oeq n GLN 56 N -3.25 1.19 0.00 1.90 7.27 0.24 0.04 117.38 124.76 2oeq n GLN 56 Ca 0.02 -0.44 0.00 0.00 0.07 0.00 0.00 57.00 56.64 2oeq n GLN 56 Cb 0.69 -1.17 0.00 0.00 2.41 0.00 0.00 30.24 32.16 2oeq n GLN 56 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2oeq n ARG 58 N 0.31 0.00 -2.80 3.69 1.85 -0.96 -4.51 116.66 114.23 2oeq n ARG 58 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2oeq n ARG 58 Cb 0.66 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.07 2oeq n ARG 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2oeq n GLY 59 N 0.00 0.00 2.89 2.89 0.00 -1.06 -5.02 105.19 104.89 2oeq n GLY 59 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.32 0.23 0.38 4.61 0.00 0.11 -5.11 121.76 121.65 2oeq s ALA 60 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 2oeq s ALA 60 Cb 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 23.12 22.87 2oeq s ALA 60 CO 0.00 0.02 0.57 0.00 0.00 0.00 0.00 175.76 176.35 2oeq n ALA 61 N 3.27 -1.60 -3.71 0.00 0.00 -1.26 -4.73 120.51 112.48 2oeq n ALA 61 Ca -0.16 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2oeq n ALA 61 Cb 0.57 -1.76 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 2oeq n ALA 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2oeq s ILE 62 N -1.38 0.88 1.15 0.00 1.01 -1.26 -5.08 121.20 116.52 2oeq s ILE 62 Ca 0.62 -1.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.54 2oeq s ILE 62 Cb -0.65 -1.66 0.23 0.00 0.01 0.00 0.00 42.46 40.39 2oeq s ILE 62 CO 0.58 -0.73 0.49 0.00 0.00 0.00 0.00 174.94 175.29 2oeq n LEU 63 N 4.62 -1.13 0.37 2.97 -0.00 -1.26 -4.89 117.00 117.69 2oeq n LEU 63 Ca 0.00 -0.50 -0.15 0.00 -0.00 0.00 0.00 56.01 55.36 2oeq n LEU 63 Cb 0.41 -0.86 -0.07 0.00 -0.00 0.00 0.00 43.42 42.89 2oeq n LEU 63 CO 0.13 -3.63 0.42 -0.65 -0.00 0.00 0.00 177.39 173.65 2oeq h PRO 64 N -2.93 -0.94 -0.81 1.47 0.11 -2.00 -3.25 132.00 123.65 2oeq h PRO 64 Ca -0.32 0.06 0.19 0.00 0.11 0.00 0.00 66.00 66.05 2oeq h PRO 64 Cb 0.97 0.21 -0.15 0.00 0.11 0.00 0.00 31.00 32.14 2oeq h PRO 64 CO 0.20 -0.63 -0.10 -0.25 -0.21 0.00 0.00 178.00 177.01 2oeq n ASP 65 N -5.19 -0.20 -0.30 -2.05 8.00 -1.26 0.16 116.55 115.71 2oeq n ASP 65 Ca -0.12 1.38 0.18 0.00 0.71 0.00 0.00 54.79 56.94 2oeq n ASP 65 Cb 0.38 -0.46 0.46 0.00 -0.02 0.00 0.00 41.12 41.48 2oeq n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2oeq h GLU 66 N 0.00 0.49 0.05 -1.24 5.08 -1.90 0.96 114.58 118.02 2oeq h GLU 66 Ca 0.43 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.48 2oeq h GLU 66 Cb 0.78 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2oeq h GLU 66 CO -0.80 0.33 -1.51 0.82 -1.00 0.00 0.00 179.01 176.85 2oeq h ILE 67 N 0.51 1.14 -0.24 3.13 1.08 0.15 -2.75 117.51 120.52 2oeq h ILE 67 Ca 0.54 -2.87 -0.20 0.00 -0.39 0.00 0.00 64.86 61.94 2oeq h ILE 67 Cb 1.20 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.60 2oeq h ILE 67 CO -0.27 0.75 -0.63 -0.33 -0.69 0.00 0.00 178.15 176.98 2oeq h GLU 68 N 0.03 0.84 0.02 2.37 5.08 0.01 1.15 114.58 124.08 2oeq h GLU 68 Ca -0.22 -0.58 0.01 0.00 -1.00 0.00 0.00 59.36 57.57 2oeq h GLU 68 Cb 1.96 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 2oeq h GLU 68 CO 0.12 1.21 -0.10 0.37 -1.00 0.00 0.00 179.01 179.61 2oeq h GLN 69 N 0.62 -0.18 -0.16 2.33 4.15 0.79 0.67 115.11 123.33 2oeq h GLN 69 Ca -0.01 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2oeq h GLN 69 Cb 1.24 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 2oeq h GLN 69 CO 0.14 -0.12 0.04 0.00 -1.93 0.00 0.00 178.83 176.95 2oeq h ALA 70 N 0.77 0.22 -0.84 3.38 0.00 -1.29 0.59 119.26 122.09 2oeq h ALA 70 Ca 0.03 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2oeq h ALA 70 Cb 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2oeq h ALA 70 CO -0.09 -0.14 0.48 0.37 0.00 0.00 0.00 179.25 179.87 2oeq h GLN 71 N 0.07 0.77 -0.02 0.00 5.75 0.17 -2.77 115.11 119.08 2oeq h GLN 71 Ca 0.05 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2oeq h GLN 71 Cb 0.27 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2oeq h GLN 71 CO 0.00 0.51 -0.18 -0.22 -2.65 0.00 0.00 178.83 176.29 2oeq h LYS 72 N 0.80 0.15 -1.84 1.69 3.64 0.67 -2.48 116.57 119.20 2oeq h LYS 72 Ca 0.41 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2oeq h LYS 72 Cb 0.38 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2oeq h LYS 72 CO -0.25 0.84 0.00 0.00 -2.27 0.00 0.00 179.45 177.77 2oeq n ALA 73 N -2.50 1.26 0.00 5.00 0.00 0.20 -1.71 120.51 122.76 2oeq n ALA 73 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2oeq n ALA 73 Cb 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.94 0.00 0.22 0.00 0.00 -0.94 -2.90 120.51 117.83 2oeq n ALA 75 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2oeq n ALA 75 Cb 0.00 0.00 0.49 0.00 0.00 0.00 0.00 19.45 19.94 2oeq n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2oeq h LEU 76 N 0.00 0.00 -0.58 0.00 3.38 -1.64 -1.07 115.31 115.40 2oeq h LEU 76 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2oeq h LEU 76 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2oeq h LEU 76 CO 0.00 0.23 -0.59 0.00 0.09 0.00 0.00 178.44 178.18 2oeq h ALA 77 N 1.77 0.77 0.00 1.53 0.00 -1.79 -2.54 119.26 119.00 2oeq h ALA 77 Ca -0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2oeq h ALA 77 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2oeq h ALA 77 CO 0.03 0.71 -0.44 0.37 0.00 0.00 0.00 179.25 179.92 2oeq h GLN 78 N 0.29 0.00 0.00 0.00 5.75 -1.61 -1.86 115.11 117.68 2oeq h GLN 78 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2oeq h GLN 78 Cb 1.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2oeq h GLN 78 CO 0.10 0.44 0.00 0.37 -2.65 0.00 0.00 178.83 177.09 2oeq h GLN 79 N 0.00 0.00 -6.94 1.69 4.15 -0.80 -3.43 115.11 109.77 2oeq h GLN 79 Ca -0.00 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.93 2oeq h GLN 79 Cb 0.82 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.51 2oeq h GLN 79 CO 0.06 0.00 0.19 1.21 -1.93 0.00 0.00 178.83 178.36 2oeq s ASN 80 N -4.44 6.56 -0.11 -0.69 3.84 -0.70 -5.03 114.94 114.38 2oeq s ASN 80 Ca 0.03 1.27 -0.04 0.00 0.21 0.00 0.00 52.86 54.33 2oeq s ASN 80 Cb 0.09 -2.38 -0.01 0.00 -0.55 0.00 0.00 41.25 38.40 2oeq s ASN 80 CO 0.40 -0.45 -0.08 -0.33 -2.79 0.00 0.00 177.10 173.85 2oeq h GLU 81 N 1.20 0.00 -0.42 0.43 5.08 -1.84 -3.14 114.58 115.88 2oeq h GLU 81 Ca -0.47 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2oeq h GLU 81 Cb 1.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 2oeq h GLU 81 CO 0.63 0.00 -0.39 0.87 -1.00 0.00 0.00 179.01 179.12 2oeq h LYS 82 N -0.93 -0.28 -1.00 2.33 1.79 -1.96 -0.99 116.57 115.54 2oeq h LYS 82 Ca 0.00 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.64 2oeq h LYS 82 Cb 0.24 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.86 2oeq h LYS 82 CO 0.00 -0.19 0.62 -0.07 -1.08 0.00 0.00 179.45 178.74 2oeq h LEU 83 N -0.29 0.87 0.72 2.94 3.38 -1.84 -1.98 115.31 119.11 2oeq h LEU 83 Ca 0.16 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2oeq h LEU 83 Cb 0.57 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2oeq h LEU 83 CO -0.58 0.40 -0.35 0.00 0.09 0.00 0.00 178.44 178.01 2oeq h ALA 84 N 1.58 -0.97 -0.92 1.53 0.00 -1.16 -2.96 119.26 116.36 2oeq h ALA 84 Ca 0.53 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.33 2oeq h ALA 84 Cb 0.66 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 2oeq h ALA 84 CO -0.31 -0.94 -0.48 -0.09 0.00 0.00 0.00 179.25 177.43 2oeq h ARG 85 N -1.18 -0.04 -1.08 0.00 2.43 -1.06 0.12 114.38 113.58 2oeq h ARG 85 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2oeq h ARG 85 Cb 0.77 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2oeq h ARG 85 CO 0.16 -0.03 0.00 -0.11 -1.51 0.00 0.00 179.97 178.48 2oeq n LEU 86 N -5.37 0.00 0.00 3.80 7.94 -0.77 -1.12 117.00 121.47 2oeq n LEU 86 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2oeq n LEU 86 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2oeq n LEU 86 CO -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.16 2oeq n ALA 88 N 0.67 0.00 -0.26 1.96 0.00 0.42 -0.13 120.51 123.18 2oeq n ALA 88 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2oeq n ALA 88 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2oeq n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2oeq n LEU 89 N 0.00 -0.20 -0.24 0.00 4.77 -0.28 0.24 117.00 121.29 2oeq n LEU 89 Ca 0.00 1.26 0.04 0.00 -0.03 0.00 0.00 56.01 57.28 2oeq n LEU 89 Cb 0.00 -0.41 0.16 0.00 -2.33 0.00 0.00 43.42 40.85 2oeq n LEU 89 CO 0.00 -1.23 0.96 -0.08 -1.33 0.00 0.00 177.39 175.70 2oeq h GLU 90 N 0.00 0.31 0.06 3.23 4.22 -0.74 -2.51 114.58 119.15 2oeq h GLU 90 Ca 0.39 -0.02 -0.27 0.00 0.08 0.00 0.00 59.36 59.54 2oeq h GLU 90 Cb 0.67 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.87 2oeq h GLU 90 CO -0.73 0.21 -1.12 0.37 -2.18 0.00 0.00 179.01 175.55 2oeq h GLN 91 N 0.32 0.54 -1.79 1.92 4.15 0.29 -3.07 115.11 117.47 2oeq h GLN 91 Ca 0.39 -0.66 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2oeq h GLN 91 Cb 0.62 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.52 2oeq h GLN 91 CO -0.45 1.27 0.00 0.94 -1.93 0.00 0.00 178.83 178.66 2oeq n GLN 92 N -3.76 0.24 0.00 1.69 0.00 -0.25 -2.26 117.38 113.04 2oeq n GLN 92 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.90 2oeq n GLN 92 Cb 0.93 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.79 2oeq n GLN 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2oeq n SER 94 N 1.00 0.00 0.00 1.69 3.41 -1.16 -0.38 113.62 118.18 2oeq n SER 94 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2oeq n SER 94 Cb 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 2oeq n SER 94 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2oeq h ILE 95 N 0.00 1.00 0.49 -1.33 3.07 -1.77 -2.50 117.51 116.46 2oeq h ILE 95 Ca 0.00 -2.79 -0.02 0.00 1.55 0.00 0.00 64.86 63.60 2oeq h ILE 95 Cb 0.00 2.54 -0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2oeq h ILE 95 CO 0.00 0.65 -0.29 0.74 -1.05 0.00 0.00 178.15 178.20 2oeq h THR 96 N 0.02 0.41 -0.16 0.16 2.02 -0.99 -1.19 112.91 113.18 2oeq h THR 96 Ca -0.25 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.98 2oeq h THR 96 Cb 1.98 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 2oeq h THR 96 CO 0.10 0.00 -0.23 0.40 0.37 0.00 0.00 175.52 176.16 2oeq h ILE 97 N -0.73 0.43 -0.92 3.11 2.04 -1.80 0.49 117.51 120.13 2oeq h ILE 97 Ca -0.06 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.05 2oeq h ILE 97 Cb 0.59 0.43 -0.13 0.00 -0.74 0.00 0.00 36.82 36.96 2oeq h ILE 97 CO 0.07 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.62 2oeq h ALA 98 N 0.71 1.52 -0.45 1.87 0.00 -1.26 0.55 119.26 122.19 2oeq h ALA 98 Ca 0.11 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2oeq h ALA 98 Cb 0.44 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2oeq h ALA 98 CO -0.32 -0.42 0.06 0.93 0.00 0.00 0.00 179.25 179.50 2oeq h GLU 99 N 0.35 0.71 -0.06 0.00 5.08 0.31 -2.19 114.58 118.76 2oeq h GLU 99 Ca 0.60 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 2oeq h GLU 99 Cb 1.21 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2oeq h GLU 99 CO -0.58 0.68 -0.01 0.28 -1.00 0.00 0.00 179.01 178.38 2oeq h VAL 100 N 0.68 1.27 0.00 3.13 2.07 0.15 -2.45 116.25 121.10 2oeq h VAL 100 Ca 0.15 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2oeq h VAL 100 Cb 0.32 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2oeq h VAL 100 CO 0.01 0.23 -0.09 0.06 0.02 0.00 0.00 177.57 177.80 2oeq h GLN 101 N -0.20 0.00 -0.43 1.57 3.07 -1.01 -0.73 115.11 117.39 2oeq h GLN 101 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.64 2oeq h GLN 101 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 2oeq h GLN 101 CO 0.00 0.09 -0.20 0.37 0.09 0.00 0.00 178.83 179.18 2oeq h GLN 102 N 0.00 0.84 -0.34 0.06 -0.00 -1.10 -2.51 115.11 112.07 2oeq h GLN 102 Ca -0.00 -0.33 -0.12 0.00 -0.00 0.00 0.00 58.65 58.19 2oeq h GLN 102 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.62 2oeq h GLN 102 CO 0.01 0.96 -0.29 0.82 0.00 0.00 0.00 178.83 180.33 2oeq h ILE 103 N 0.74 1.28 0.00 2.39 2.04 -0.70 -3.08 117.51 120.17 2oeq h ILE 103 Ca 0.11 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2oeq h ILE 103 Cb 0.72 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2oeq h ILE 103 CO 0.06 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.67 2oeq n ALA 104 N -2.51 1.48 0.00 1.87 0.00 -0.68 -4.42 120.51 116.25 2oeq n ALA 104 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2oeq n ALA 104 Cb 0.47 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2oeq n ALA 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2oeq n LYS 106 N 1.87 0.00 -0.30 0.00 5.02 -1.17 -4.70 118.16 118.89 2oeq n LYS 106 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2oeq n LYS 106 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.29 2oeq n LYS 106 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2oeq h PRO 107 N 0.00 0.16 0.01 1.97 0.11 -1.93 1.47 132.00 133.79 2oeq h PRO 107 Ca 0.00 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.90 2oeq h PRO 107 Cb 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2oeq h PRO 107 CO 0.00 0.11 -0.92 1.25 -0.21 0.00 0.00 178.00 178.22 2oeq h LEU 108 N 0.16 0.08 -0.42 2.35 5.85 -1.95 -2.12 115.31 119.25 2oeq h LEU 108 Ca 0.55 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 59.10 2oeq h LEU 108 Cb 1.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2oeq h LEU 108 CO -0.69 0.95 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.17 2oeq h GLU 109 N 0.02 0.82 -0.42 1.25 4.57 -0.83 -0.05 114.58 119.95 2oeq h GLU 109 Ca -0.02 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 57.79 2oeq h GLU 109 Cb 1.61 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.13 2oeq h GLU 109 CO 0.13 0.95 0.07 0.93 -1.18 0.00 0.00 179.01 179.91 2oeq h GLU 110 N 0.65 0.70 -0.47 1.92 5.08 0.19 -2.14 114.58 120.50 2oeq h GLU 110 Ca 0.11 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2oeq h GLU 110 Cb 0.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2oeq h GLU 110 CO 0.04 0.73 -0.19 1.25 -1.00 0.00 0.00 179.01 179.84 2oeq h LEU 111 N 0.55 0.99 -1.00 1.33 5.85 -1.29 -2.75 115.31 118.99 2oeq h LEU 111 Ca 0.13 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.58 2oeq h LEU 111 Cb 0.37 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2oeq h LEU 111 CO 0.01 1.16 0.63 0.45 -0.34 0.00 0.00 178.44 180.34 2oeq h HIS 112 N 0.81 1.14 -0.48 1.25 3.86 -0.80 -0.58 115.15 120.35 2oeq h HIS 112 Ca 0.11 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2oeq h HIS 112 Cb 0.77 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 2oeq h HIS 112 CO 0.05 0.46 0.28 -0.09 0.86 0.00 0.00 177.93 179.49 2oeq h ARG 113 N 1.00 0.55 0.00 2.45 2.43 -1.10 -2.05 114.38 117.67 2oeq h ARG 113 Ca 0.49 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.62 2oeq h ARG 113 Cb 0.47 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2oeq h ARG 113 CO -0.26 0.37 -0.05 0.77 -1.51 0.00 0.00 179.97 179.28 2oeq h SER 114 N 0.57 0.00 0.00 -3.80 0.02 -0.96 -3.35 113.55 106.03 2oeq h SER 114 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2oeq h SER 114 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2oeq h SER 114 CO -0.09 0.05 0.55 0.49 -1.14 0.00 0.00 176.83 176.69 2oeq n PHE 115 N -4.24 0.00 0.00 3.45 3.01 -0.77 -4.54 117.46 114.37 2oeq n PHE 115 Ca -0.03 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.36 2oeq n PHE 115 Cb 0.14 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 2oeq n PHE 115 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2oeq n GLU 117 N 3.22 0.00 0.00 -1.08 4.07 -1.26 -5.14 120.64 120.46 2oeq n GLU 117 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2oeq n GLU 117 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2oeq n GLU 117 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48