#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsc h PRO 10 N 0.00 0.00 -0.23 5.56 0.13 -1.97 -3.26 132.00 132.22 2gsc h PRO 10 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2gsc h PRO 10 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2gsc h PRO 10 CO 0.00 0.53 0.15 1.12 -0.23 0.00 0.00 178.00 179.58 2gsc h HIS 11 N 0.00 0.27 0.00 1.56 2.07 -1.91 -2.50 115.15 114.65 2gsc h HIS 11 Ca -0.01 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2gsc h HIS 11 Cb 1.01 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.90 2gsc h HIS 11 CO 0.00 0.17 0.00 0.39 -3.07 0.00 0.00 177.93 175.42 2gsc n GLU 12 N -4.50 0.17 0.05 5.12 1.02 -1.23 -0.54 120.64 120.72 2gsc n GLU 12 Ca 0.01 0.52 0.12 0.00 -0.02 0.00 0.00 57.16 57.80 2gsc n GLU 12 Cb 0.09 -1.91 0.30 0.00 -0.02 0.00 0.00 31.44 29.91 2gsc n GLU 12 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2gsc n ARG 13 N -2.24 0.18 -2.88 3.49 1.74 -0.94 -4.76 116.66 111.26 2gsc n ARG 13 Ca 0.00 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 2gsc n ARG 13 Cb 0.14 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 2gsc n ARG 13 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2gsc s LEU 14 N -3.86 4.38 0.30 0.55 1.43 0.30 -4.94 118.68 116.83 2gsc s LEU 14 Ca 0.09 1.48 0.05 0.00 -1.03 0.00 0.00 54.13 54.71 2gsc s LEU 14 Cb 0.15 -3.34 0.69 0.00 0.03 0.00 0.00 46.19 43.72 2gsc s LEU 14 CO 0.66 -0.13 1.79 0.44 0.23 0.00 0.00 176.35 179.34 2gsc h ASP 15 N 6.42 0.83 -0.77 2.29 3.32 -1.90 -2.01 116.42 124.60 2gsc h ASP 15 Ca -0.42 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2gsc h ASP 15 Cb 1.21 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2gsc h ASP 15 CO 0.74 0.34 0.31 0.00 -1.72 0.00 0.00 179.24 178.91 2gsc h ALA 16 N 1.62 1.00 0.12 3.45 0.00 -1.92 0.40 119.26 123.92 2gsc h ALA 16 Ca 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2gsc h ALA 16 Cb 0.79 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gsc h ALA 16 CO -0.35 0.62 -0.06 2.35 0.00 0.00 0.00 179.25 181.81 2gsc h TRP 17 N 1.11 -0.15 -0.57 0.00 7.01 -1.72 0.15 115.95 121.78 2gsc h TRP 17 Ca 0.26 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.36 2gsc h TRP 17 Cb 0.21 0.05 -0.11 0.00 -2.10 0.00 0.00 29.16 27.20 2gsc h TRP 17 CO 0.02 0.29 -0.24 0.00 -2.79 0.00 0.00 178.44 175.72 2gsc h ARG 18 N -0.65 -0.09 -0.03 2.65 3.08 -1.24 0.36 114.38 118.46 2gsc h ARG 18 Ca -0.02 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2gsc h ARG 18 Cb 0.50 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2gsc h ARG 18 CO 0.03 -0.06 -0.64 -0.44 -1.07 0.00 0.00 179.97 177.78 2gsc h ASP 19 N -0.10 0.13 0.01 7.04 3.32 -0.96 -1.86 116.42 123.99 2gsc h ASP 19 Ca 0.26 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2gsc h ASP 19 Cb 0.50 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2gsc h ASP 19 CO -0.64 0.74 -0.33 0.28 -1.72 0.00 0.00 179.24 177.57 2gsc h SER 20 N 0.08 -0.98 -0.50 6.45 0.02 0.42 -1.20 113.55 117.83 2gsc h SER 20 Ca -0.01 0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 2gsc h SER 20 Cb 1.15 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 2gsc h SER 20 CO 0.09 -0.39 -0.05 0.24 -1.14 0.00 0.00 176.83 175.58 2gsc h MET 21 N -0.48 0.97 -0.80 3.45 2.86 -0.85 -0.65 114.93 119.42 2gsc h MET 21 Ca 0.06 -0.32 0.07 0.00 -2.06 0.00 0.00 59.70 57.45 2gsc h MET 21 Cb 0.57 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 2gsc h MET 21 CO -0.27 0.98 0.47 1.49 1.06 0.00 0.00 176.91 180.65 2gsc h GLU 22 N 0.87 0.82 -0.62 1.72 4.57 -1.24 -2.01 114.58 118.70 2gsc h GLU 22 Ca 0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2gsc h GLU 22 Cb 0.59 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2gsc h GLU 22 CO 0.04 0.54 0.34 1.25 -1.18 0.00 0.00 179.01 180.00 2gsc h LEU 23 N 0.84 0.77 -0.58 1.64 5.85 -0.21 -1.79 115.31 121.82 2gsc h LEU 23 Ca 0.37 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.10 2gsc h LEU 23 Cb 0.24 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 2gsc h LEU 23 CO -0.20 0.64 0.10 0.58 -0.34 0.00 0.00 178.44 179.22 2gsc h VAL 24 N 0.84 0.63 -0.75 1.05 2.07 -0.46 0.15 116.25 119.77 2gsc h VAL 24 Ca 0.22 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 2gsc h VAL 24 Cb 0.04 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2gsc h VAL 24 CO -0.04 0.04 0.24 -0.33 0.02 0.00 0.00 177.57 177.50 2gsc h GLU 25 N 0.23 1.16 -0.76 1.57 5.08 -1.23 -1.42 114.58 119.22 2gsc h GLU 25 Ca 0.30 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2gsc h GLU 25 Cb 0.45 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2gsc h GLU 25 CO -0.41 0.98 0.40 1.98 -1.00 0.00 0.00 179.01 180.96 2gsc h MET 26 N 1.11 1.07 -0.18 2.33 4.05 -0.40 -1.91 114.93 121.00 2gsc h MET 26 Ca 0.24 -0.13 -0.15 0.00 -0.28 0.00 0.00 59.70 59.39 2gsc h MET 26 Cb 0.31 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2gsc h MET 26 CO -0.01 0.80 -0.50 0.82 0.23 0.00 0.00 176.91 178.25 2gsc h ILE 27 N 1.07 1.32 -0.23 1.77 1.08 -0.37 -0.04 117.51 122.12 2gsc h ILE 27 Ca 0.27 -1.73 -0.02 0.00 -0.39 0.00 0.00 64.86 62.99 2gsc h ILE 27 Cb 0.06 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2gsc h ILE 27 CO -0.04 0.53 0.07 1.88 -0.69 0.00 0.00 178.15 179.90 2gsc h TYR 28 N 0.40 0.37 -0.07 1.37 -1.99 -0.97 -2.44 116.97 113.63 2gsc h TYR 28 Ca 0.02 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2gsc h TYR 28 Cb 1.02 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.63 2gsc h TYR 28 CO 0.04 0.44 0.04 -0.09 -0.00 0.00 0.00 178.16 178.58 2gsc h ARG 29 N 0.20 0.08 -0.86 4.88 2.43 -1.26 -2.37 114.38 117.48 2gsc h ARG 29 Ca 0.07 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.40 2gsc h ARG 29 Cb 0.24 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 2gsc h ARG 29 CO -0.00 0.05 0.56 1.25 -1.51 0.00 0.00 179.97 180.32 2gsc h LEU 30 N 0.08 0.54 -0.99 3.80 5.85 -0.96 -2.95 115.31 120.67 2gsc h LEU 30 Ca 0.03 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2gsc h LEU 30 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2gsc h LEU 30 CO -0.02 0.26 -0.45 0.35 -0.34 0.00 0.00 178.44 178.24 2gsc n THR 31 N -4.53 0.00 0.27 1.05 -2.24 -0.93 -4.21 114.28 103.69 2gsc n THR 31 Ca 0.17 -0.28 0.16 0.00 -2.27 0.00 0.00 64.05 61.83 2gsc n THR 31 Cb 0.54 1.25 0.73 0.00 -2.10 0.00 0.00 70.33 70.74 2gsc n THR 31 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2gsc h GLU 32 N 2.34 0.00 -0.51 -0.78 4.11 -1.24 -2.29 114.58 116.21 2gsc h GLU 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2gsc h GLU 32 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2gsc h GLU 32 CO 0.00 0.07 0.00 1.33 0.07 0.00 0.00 179.01 180.48 2gsc n VAL 33 N -3.28 1.19 -1.72 -1.06 0.24 -1.26 -4.99 118.33 107.44 2gsc n VAL 33 Ca -0.01 -1.08 -0.33 0.00 -2.04 0.00 0.00 64.34 60.88 2gsc n VAL 33 Cb 0.28 0.41 0.05 0.00 -1.47 0.00 0.00 33.84 33.11 2gsc n VAL 33 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2gsc s PHE 34 N -1.22 2.50 0.42 6.34 0.40 -0.86 -4.95 117.98 120.60 2gsc s PHE 34 Ca 0.36 1.56 -0.25 0.00 -0.60 0.00 0.00 56.93 58.00 2gsc s PHE 34 Cb 0.20 -3.24 -0.10 0.00 0.51 0.00 0.00 43.02 40.39 2gsc s PHE 34 CO 0.22 -1.87 1.16 -2.30 0.70 0.00 0.00 175.22 173.12 2gsc n PRO 35 N -2.40 1.66 -0.34 0.24 -0.02 -1.26 -4.88 135.00 128.00 2gsc n PRO 35 Ca 0.11 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.25 2gsc n PRO 35 Cb 0.52 -2.22 0.23 0.00 -0.02 0.00 0.00 33.50 32.00 2gsc n PRO 35 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2gsc h ASP 36 N 1.85 0.85 0.11 2.55 3.45 -1.97 -1.56 116.42 121.69 2gsc h ASP 36 Ca -0.46 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.05 2gsc h ASP 36 Cb 1.31 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 2gsc h ASP 36 CO 0.59 0.45 0.00 0.06 -1.57 0.00 0.00 179.24 178.76 2gsc h GLN 37 N 0.92 0.00 -0.66 3.56 -0.00 -2.04 -1.06 115.11 115.83 2gsc h GLN 37 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.13 2gsc h GLN 37 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.97 2gsc h GLN 37 CO -0.27 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 178.95 2gsc n GLU 38 N -2.73 2.91 0.29 0.06 -0.58 -0.59 -4.53 120.64 115.47 2gsc n GLU 38 Ca -0.02 -2.46 0.16 0.00 -0.42 0.00 0.00 57.16 54.42 2gsc n GLU 38 Cb 0.08 -1.64 0.90 0.00 -0.57 0.00 0.00 31.44 30.21 2gsc n GLU 38 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2gsc h ARG 39 N 3.80 0.00 0.00 3.49 2.43 -1.26 -0.77 114.38 122.07 2gsc h ARG 39 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gsc h ARG 39 Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2gsc h ARG 39 CO 0.09 0.04 0.00 0.66 -1.51 0.00 0.00 179.97 179.24 2gsc n TYR 40 N -3.63 0.00 0.00 2.20 4.01 -1.26 -3.18 117.16 115.29 2gsc n TYR 40 Ca -0.02 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2gsc n TYR 40 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2gsc n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gsc n GLY 41 N -0.11 2.48 0.23 2.72 0.00 -1.26 -4.81 105.19 104.44 2gsc n GLY 41 Ca 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 2gsc n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gsc h LEU 42 N 0.00 0.39 -0.40 0.99 6.46 -1.48 -2.68 115.31 118.60 2gsc h LEU 42 Ca 0.00 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.56 2gsc h LEU 42 Cb 0.00 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2gsc h LEU 42 CO 0.00 0.65 -0.01 0.71 -0.62 0.00 0.00 178.44 179.17 2gsc h THR 43 N 0.35 1.26 -0.24 1.05 1.35 -1.59 -1.42 112.91 113.67 2gsc h THR 43 Ca 0.05 -1.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2gsc h THR 43 Cb 0.64 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2gsc h THR 43 CO 0.05 0.35 0.14 0.00 -0.25 0.00 0.00 175.52 175.80 2gsc h ALA 44 N 0.88 0.31 -0.76 6.62 0.00 -1.50 -0.77 119.26 124.04 2gsc h ALA 44 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2gsc h ALA 44 Cb 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2gsc h ALA 44 CO 0.02 -0.17 0.25 1.96 0.00 0.00 0.00 179.25 181.31 2gsc h GLN 45 N 0.28 1.17 -0.64 0.00 1.08 -1.36 -0.61 115.11 115.03 2gsc h GLN 45 Ca 0.08 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 2gsc h GLN 45 Cb 0.05 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 2gsc h GLN 45 CO -0.01 0.98 0.11 -0.07 -0.95 0.00 0.00 178.83 178.88 2gsc h LEU 46 N 1.12 0.99 -0.72 1.46 3.38 -1.10 -1.61 115.31 118.84 2gsc h LEU 46 Ca 0.25 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2gsc h LEU 46 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2gsc h LEU 46 CO -0.01 0.98 -0.09 0.03 0.09 0.00 0.00 178.44 179.44 2gsc h ARG 47 N 0.98 0.89 -0.39 1.13 3.08 -0.67 -2.45 114.38 116.95 2gsc h ARG 47 Ca 0.20 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2gsc h ARG 47 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2gsc h ARG 47 CO 0.01 0.94 -0.24 0.00 -1.07 0.00 0.00 179.97 179.61 2gsc h ARG 48 N 0.81 0.85 -0.43 0.04 3.08 -0.99 -2.31 114.38 115.42 2gsc h ARG 48 Ca 0.13 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2gsc h ARG 48 Cb 0.61 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2gsc h ARG 48 CO 0.04 1.04 0.28 0.00 -1.07 0.00 0.00 179.97 180.26 2gsc h ALA 49 N 0.80 0.55 0.65 0.04 0.00 -1.28 -1.49 119.26 118.53 2gsc h ALA 49 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2gsc h ALA 49 Cb 0.81 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2gsc h ALA 49 CO 0.07 0.02 -0.37 0.00 0.00 0.00 0.00 179.25 178.97 2gsc h ALA 50 N 1.15 -0.97 -0.98 0.00 0.00 -1.42 -2.93 119.26 114.11 2gsc h ALA 50 Ca 0.16 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.07 2gsc h ALA 50 Cb -0.05 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 2gsc h ALA 50 CO -0.03 -1.05 0.61 0.28 0.00 0.00 0.00 179.25 179.06 2gsc h VAL 51 N -0.95 0.70 -0.95 0.00 2.07 -1.32 0.30 116.25 116.10 2gsc h VAL 51 Ca -0.08 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.30 2gsc h VAL 51 Cb 0.76 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 2gsc h VAL 51 CO 0.11 0.12 0.61 -1.28 0.02 0.00 0.00 177.57 177.14 2gsc h SER 52 N 0.65 0.91 0.52 0.57 0.87 -1.09 -2.47 113.55 113.50 2gsc h SER 52 Ca 0.54 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 61.10 2gsc h SER 52 Cb 1.00 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2gsc h SER 52 CO -0.31 0.54 -0.33 0.40 -0.53 0.00 0.00 176.83 176.60 2gsc h ILE 53 N 1.00 0.00 -0.58 2.23 5.03 -0.26 -1.60 117.51 123.33 2gsc h ILE 53 Ca 0.43 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 65.20 2gsc h ILE 53 Cb 0.34 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.10 2gsc h ILE 53 CO -0.19 0.00 0.38 1.55 -0.68 0.00 0.00 178.15 179.21 2gsc h PRO 54 N -0.81 0.70 -0.51 2.37 0.13 -1.65 -1.97 132.00 130.25 2gsc h PRO 54 Ca -0.07 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2gsc h PRO 54 Cb 0.65 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 2gsc h PRO 54 CO 0.06 0.46 0.26 0.77 -0.23 0.00 0.00 178.00 179.32 2gsc h SER 55 N 0.72 0.37 0.09 1.44 0.02 -1.31 1.00 113.55 115.87 2gsc h SER 55 Ca 0.23 0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 61.01 2gsc h SER 55 Cb 0.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2gsc h SER 55 CO -0.06 0.25 -0.75 0.78 -1.14 0.00 0.00 176.83 175.92 2gsc h ASN 56 N 0.50 0.67 -0.43 3.07 2.35 -1.04 -1.27 115.58 119.44 2gsc h ASN 56 Ca 0.23 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 2gsc h ASN 56 Cb 0.14 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2gsc h ASN 56 CO -0.16 1.20 0.20 0.40 -1.65 0.00 0.00 177.43 177.43 2gsc h ILE 57 N 0.39 1.18 0.07 2.81 2.04 -1.10 0.84 117.51 123.73 2gsc h ILE 57 Ca -0.04 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2gsc h ILE 57 Cb 1.34 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2gsc h ILE 57 CO 0.14 0.19 -0.21 0.00 0.00 0.00 0.00 178.15 178.27 2gsc h ALA 58 N 1.05 -0.33 -0.14 1.87 0.00 -0.76 -1.29 119.26 119.67 2gsc h ALA 58 Ca 0.15 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2gsc h ALA 58 Cb 0.12 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2gsc h ALA 58 CO -0.02 -0.73 0.10 1.49 0.00 0.00 0.00 179.25 180.10 2gsc h GLU 59 N -0.38 0.00 0.63 0.00 4.57 -1.01 -2.79 114.58 115.60 2gsc h GLU 59 Ca 0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2gsc h GLU 59 Cb 0.42 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2gsc h GLU 59 CO -0.15 0.00 -0.30 0.78 -1.18 0.00 0.00 179.01 178.16 2gsc h GLY 60 N 0.00 -0.88 1.56 1.92 0.00 -0.08 -3.29 103.07 102.29 2gsc h GLY 60 Ca 0.07 0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.74 2gsc h GLY 60 CO -0.00 -0.32 0.20 0.00 0.00 0.00 0.00 176.54 176.42 2gsc h ALA 61 N -1.12 1.41 -0.03 3.60 0.00 -0.99 -0.29 119.26 121.83 2gsc h ALA 61 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gsc h ALA 61 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2gsc h ALA 61 CO 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2gsc n ALA 62 N -2.09 2.50 -2.59 0.00 0.00 -1.15 -4.90 120.51 112.27 2gsc n ALA 62 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2gsc n ALA 62 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2gsc n ALA 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gsc n ARG 63 N -0.40 0.00 0.00 0.00 1.74 -0.12 -5.12 116.66 112.76 2gsc n ARG 63 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2gsc n ARG 63 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 2gsc n ARG 63 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gsc n ASP 68 N 0.00 0.00 -0.01 0.55 8.00 -1.26 -5.02 116.55 118.81 2gsc n ASP 68 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2gsc n ASP 68 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2gsc n ASP 68 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2gsc h TYR 69 N 0.00 -1.56 -1.16 1.24 5.03 -1.93 -1.15 116.97 117.44 2gsc h TYR 69 Ca 0.00 0.06 0.33 0.00 2.58 0.00 0.00 58.73 61.70 2gsc h TYR 69 Cb 0.00 0.70 -0.07 0.00 1.55 0.00 0.00 36.73 38.90 2gsc h TYR 69 CO 0.00 -0.53 0.79 0.77 -1.32 0.00 0.00 178.16 177.88 2gsc h SER 70 N -0.57 0.19 0.52 -2.11 0.02 -1.95 -1.15 113.55 108.50 2gsc h SER 70 Ca 0.03 0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 60.77 2gsc h SER 70 Cb 0.66 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2gsc h SER 70 CO -0.42 0.02 -1.11 -0.09 -1.14 0.00 0.00 176.83 174.09 2gsc h ARG 71 N 0.16 0.32 -0.10 3.45 2.43 -1.68 -2.56 114.38 116.39 2gsc h ARG 71 Ca 0.61 -0.44 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2gsc h ARG 71 Cb 2.03 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.72 2gsc h ARG 71 CO -0.15 1.16 -0.52 0.74 -1.51 0.00 0.00 179.97 179.69 2gsc h PHE 72 N 0.13 0.34 -0.42 2.20 0.04 -0.35 -2.01 116.94 116.86 2gsc h PHE 72 Ca -0.11 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 2gsc h PHE 72 Cb 1.80 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.87 2gsc h PHE 72 CO 0.06 0.74 0.19 -0.07 -0.60 0.00 0.00 178.31 178.63 2gsc h LEU 73 N 0.22 0.57 -1.39 1.54 4.07 -1.41 -0.77 115.31 118.14 2gsc h LEU 73 Ca 0.01 -0.14 0.04 0.00 0.08 0.00 0.00 57.88 57.86 2gsc h LEU 73 Cb 0.99 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 2gsc h LEU 73 CO 0.08 0.55 0.44 -1.28 -1.08 0.00 0.00 178.44 177.15 2gsc h SER 74 N 0.54 0.68 -0.37 -0.43 0.87 -1.27 0.66 113.55 114.24 2gsc h SER 74 Ca 0.14 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 2gsc h SER 74 Cb 0.14 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2gsc h SER 74 CO -0.02 0.47 -0.28 0.40 -0.53 0.00 0.00 176.83 176.87 2gsc h ILE 75 N 0.79 1.27 -0.20 2.23 2.04 -1.04 -1.53 117.51 121.07 2gsc h ILE 75 Ca 0.27 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2gsc h ILE 75 Cb 0.08 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2gsc h ILE 75 CO -0.08 0.49 0.09 0.00 0.00 0.00 0.00 178.15 178.66 2gsc h ALA 76 N 0.91 0.26 -0.70 1.87 0.00 0.14 -1.96 119.26 119.79 2gsc h ALA 76 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2gsc h ALA 76 Cb 0.85 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2gsc h ALA 76 CO 0.07 -0.17 0.46 -0.09 0.00 0.00 0.00 179.25 179.53 2gsc h ARG 77 N 0.19 0.76 -0.08 0.00 2.43 -0.95 -1.77 114.38 114.96 2gsc h ARG 77 Ca 0.07 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2gsc h ARG 77 Cb 0.13 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 2gsc h ARG 77 CO -0.01 0.50 -0.15 0.78 -1.51 0.00 0.00 179.97 179.58 2gsc h GLY 78 N 0.78 -0.12 1.79 2.80 0.00 -0.70 -0.88 103.07 106.74 2gsc h GLY 78 Ca 0.29 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 2gsc h GLY 78 CO -0.09 -0.15 -0.21 1.76 0.00 0.00 0.00 176.54 177.85 2gsc h SER 79 N -0.21 0.25 -0.62 0.19 0.02 -0.97 -2.19 113.55 110.02 2gsc h SER 79 Ca 0.08 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2gsc h SER 79 Cb 0.32 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2gsc h SER 79 CO -0.20 0.47 0.12 0.25 -1.14 0.00 0.00 176.83 176.33 2gsc h LEU 80 N 0.23 0.96 -1.07 5.07 5.85 -0.91 0.29 115.31 125.73 2gsc h LEU 80 Ca 0.04 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2gsc h LEU 80 Cb 0.51 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2gsc h LEU 80 CO 0.03 0.96 0.42 0.77 -0.34 0.00 0.00 178.44 180.28 2gsc h SER 81 N 0.92 0.95 -0.29 1.25 4.64 -0.83 0.19 113.55 120.38 2gsc h SER 81 Ca 0.19 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2gsc h SER 81 Cb 0.40 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2gsc h SER 81 CO 0.01 0.77 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.26 2gsc h GLU 82 N 1.07 0.62 0.32 4.77 5.08 -0.89 -2.08 114.58 123.47 2gsc h GLU 82 Ca 0.27 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gsc h GLU 82 Cb 0.03 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2gsc h GLU 82 CO -0.04 0.85 -0.36 1.25 -1.00 0.00 0.00 179.01 179.70 2gsc h LEU 83 N 0.37 -1.00 -0.61 1.33 5.85 -0.25 -2.38 115.31 118.61 2gsc h LEU 83 Ca 0.07 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2gsc h LEU 83 Cb 0.66 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2gsc h LEU 83 CO 0.04 -0.50 0.18 -0.78 -0.34 0.00 0.00 178.44 177.05 2gsc h ASP 84 N -0.73 0.11 -0.05 1.25 3.58 -0.55 0.14 116.42 120.18 2gsc h ASP 84 Ca -0.02 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2gsc h ASP 84 Cb 0.67 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2gsc h ASP 84 CO -0.09 0.07 -0.17 0.00 -2.88 0.00 0.00 179.24 176.17 2gsc h THR 85 N 0.33 1.23 -0.20 2.25 1.03 -1.34 -2.27 112.91 113.95 2gsc h THR 85 Ca 0.32 -1.04 -0.19 0.00 -0.01 0.00 0.00 66.41 65.48 2gsc h THR 85 Cb 0.44 1.24 0.01 0.00 -1.07 0.00 0.00 68.15 68.77 2gsc h THR 85 CO -0.36 0.33 -0.63 1.56 -0.01 0.00 0.00 175.52 176.41 2gsc h GLN 86 N 0.37 0.77 -0.90 0.00 4.20 -0.41 -0.19 115.11 118.96 2gsc h GLN 86 Ca 0.07 -0.57 0.10 0.00 0.06 0.00 0.00 58.65 58.31 2gsc h GLN 86 Cb 0.52 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 2gsc h GLN 86 CO 0.03 1.19 0.54 0.28 -0.67 0.00 0.00 178.83 180.20 2gsc h VAL 87 N 0.50 0.94 -0.23 -0.54 2.07 -0.78 -0.50 116.25 117.72 2gsc h VAL 87 Ca -0.02 -0.31 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 2gsc h VAL 87 Cb 1.25 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2gsc h VAL 87 CO 0.13 0.17 -0.61 1.56 0.02 0.00 0.00 177.57 178.84 2gsc h GLN 88 N 0.91 0.78 -0.87 1.57 4.20 -1.05 -2.49 115.11 118.15 2gsc h GLN 88 Ca 0.43 -0.53 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2gsc h GLN 88 Cb 0.36 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2gsc h GLN 88 CO -0.24 1.16 0.57 0.82 -0.67 0.00 0.00 178.83 180.47 2gsc h ILE 89 N 0.58 1.18 -0.96 2.54 1.08 -0.79 -1.77 117.51 119.37 2gsc h ILE 89 Ca -0.00 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 2gsc h ILE 89 Cb 1.21 -0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 2gsc h ILE 89 CO 0.13 0.21 0.60 0.00 -0.69 0.00 0.00 178.15 178.39 2gsc h ALA 90 N 1.34 1.24 -0.50 1.87 0.00 -0.83 0.49 119.26 122.87 2gsc h ALA 90 Ca 0.34 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2gsc h ALA 90 Cb -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 2gsc h ALA 90 CO -0.10 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 2gsc h ALA 91 N 1.33 0.71 -0.02 0.00 0.00 -1.28 0.14 119.26 120.14 2gsc h ALA 91 Ca 0.35 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2gsc h ALA 91 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2gsc h ALA 91 CO -0.07 0.68 -0.43 0.00 0.00 0.00 0.00 179.25 179.43 2gsc h ARG 92 N 0.88 0.05 0.00 0.00 3.08 -0.39 -1.98 114.38 116.01 2gsc h ARG 92 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2gsc h ARG 92 Cb 0.77 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2gsc h ARG 92 CO 0.06 0.47 -0.09 1.28 -1.07 0.00 0.00 179.97 180.62 2gsc n LEU 93 N -4.03 0.41 0.00 3.04 4.77 0.07 -4.94 117.00 116.33 2gsc n LEU 93 Ca -0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2gsc n LEU 93 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2gsc n LEU 93 CO 0.40 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2gsc n GLY 94 N 1.41 0.87 0.11 -0.72 0.00 -0.75 -5.00 105.19 101.11 2gsc n GLY 94 Ca 0.06 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.55 2gsc n GLY 94 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gsc n TYR 95 N -2.95 0.97 -4.52 1.61 4.01 0.41 -4.94 117.16 111.75 2gsc n TYR 95 Ca 0.00 0.30 -0.33 0.00 -0.16 0.00 0.00 57.90 57.70 2gsc n TYR 95 Cb 0.29 -1.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.21 2gsc n TYR 95 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2gsc s SER 96 N -5.49 4.72 0.36 7.72 1.04 -1.25 -4.58 113.70 116.21 2gsc s SER 96 Ca -0.01 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.10 2gsc s SER 96 Cb 0.09 -1.17 -0.12 0.00 0.10 0.00 0.00 66.02 64.92 2gsc s SER 96 CO 0.80 0.33 1.07 0.54 0.98 0.00 0.00 173.24 176.96 2gsc n ARG 97 N 1.90 1.53 0.23 4.02 1.74 -1.26 -4.86 116.66 119.95 2gsc n ARG 97 Ca -0.17 0.54 0.09 0.00 -0.77 0.00 0.00 57.85 57.54 2gsc n ARG 97 Cb 0.53 -2.04 0.56 0.00 -1.02 0.00 0.00 32.46 30.49 2gsc n ARG 97 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gsc h SER 98 N 1.92 0.00 0.49 0.55 0.87 -2.00 -2.70 113.55 112.68 2gsc h SER 98 Ca -0.43 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 59.84 2gsc h SER 98 Cb 1.33 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 2gsc h SER 98 CO 0.59 0.21 -1.70 -1.84 -0.53 0.00 0.00 176.83 173.56 2gsc n GLU 99 N -3.82 0.63 -0.13 2.24 0.00 -1.26 -4.02 120.64 114.28 2gsc n GLU 99 Ca -0.02 0.30 -0.07 0.00 0.00 0.00 0.00 57.16 57.37 2gsc n GLU 99 Cb 0.31 -1.80 0.09 0.00 0.00 0.00 0.00 31.44 30.04 2gsc n GLU 99 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2gsc h ASP 100 N 0.00 0.87 -0.37 -1.84 5.19 -1.89 -2.57 116.42 115.81 2gsc h ASP 100 Ca -0.28 -0.26 0.07 0.00 -0.62 0.00 0.00 57.03 55.93 2gsc h ASP 100 Cb 2.01 -0.23 -0.07 0.00 0.18 0.00 0.00 39.33 41.22 2gsc h ASP 100 CO 0.08 0.98 -0.05 -0.78 -3.12 0.00 0.00 179.24 176.36 2gsc h ASP 101 N 0.79 -0.25 0.49 6.45 3.58 -1.64 -1.80 116.42 124.04 2gsc h ASP 101 Ca 0.13 0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.58 2gsc h ASP 101 Cb 0.60 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2gsc h ASP 101 CO 0.04 -0.08 -0.50 1.56 -2.88 0.00 0.00 179.24 177.38 2gsc h GLN 102 N 0.05 0.01 -0.65 0.28 1.08 -1.65 -0.40 115.11 113.83 2gsc h GLN 102 Ca 0.18 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 2gsc h GLN 102 Cb 0.27 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 2gsc h GLN 102 CO -0.35 0.50 0.16 0.77 -0.95 0.00 0.00 178.83 178.96 2gsc h SER 103 N 0.01 0.99 -0.20 1.46 0.02 -1.25 -2.09 113.55 112.49 2gsc h SER 103 Ca -0.00 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2gsc h SER 103 Cb 0.88 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2gsc h SER 103 CO 0.06 0.97 -0.14 0.58 -1.14 0.00 0.00 176.83 177.16 2gsc h VAL 104 N 0.97 1.32 -0.47 2.27 2.07 -0.91 -2.17 116.25 119.32 2gsc h VAL 104 Ca 0.20 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 66.57 2gsc h VAL 104 Cb 0.36 1.71 -0.10 0.00 -1.52 0.00 0.00 31.29 31.75 2gsc h VAL 104 CO 0.00 0.38 -0.29 -0.09 0.02 0.00 0.00 177.57 177.59 2gsc h ARG 105 N 0.12 -0.18 -0.91 1.57 2.43 -1.07 0.38 114.38 116.70 2gsc h ARG 105 Ca 0.04 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2gsc h ARG 105 Cb 0.65 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2gsc h ARG 105 CO 0.04 -0.12 0.56 0.00 -1.51 0.00 0.00 179.97 178.94 2gsc h ARG 106 N -0.19 1.23 -0.25 0.20 3.08 -1.28 0.01 114.38 117.19 2gsc h ARG 106 Ca 0.20 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2gsc h ARG 106 Cb 0.52 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2gsc h ARG 106 CO -0.58 0.85 -0.21 0.37 -1.07 0.00 0.00 179.97 179.33 2gsc h GLN 107 N 1.25 0.57 -0.36 0.04 5.75 -0.61 -1.43 115.11 120.33 2gsc h GLN 107 Ca 0.33 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.62 2gsc h GLN 107 Cb -0.08 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.40 2gsc h GLN 107 CO -0.06 0.88 -0.18 0.28 -2.65 0.00 0.00 178.83 177.09 2gsc h VAL 108 N 0.28 0.46 -0.96 2.39 2.07 0.04 0.36 116.25 120.89 2gsc h VAL 108 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 2gsc h VAL 108 Cb 0.75 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 2gsc h VAL 108 CO 0.05 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.70 2gsc h ASP 109 N -0.13 0.90 0.09 0.57 3.32 -0.79 0.95 116.42 121.33 2gsc h ASP 109 Ca 0.18 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2gsc h ASP 109 Cb 0.40 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2gsc h ASP 109 CO -0.44 0.52 -0.04 0.25 -1.72 0.00 0.00 179.24 177.81 2gsc h LEU 110 N 0.98 -0.11 -0.60 1.55 6.46 -0.48 -1.87 115.31 121.26 2gsc h LEU 110 Ca 0.45 -0.41 0.10 0.00 -0.12 0.00 0.00 57.88 57.90 2gsc h LEU 110 Cb 0.40 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.28 2gsc h LEU 110 CO -0.21 0.39 0.18 0.58 -0.62 0.00 0.00 178.44 178.76 2gsc h VAL 111 N -0.64 0.72 -0.33 1.05 2.07 -0.71 -0.90 116.25 117.51 2gsc h VAL 111 Ca -0.01 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2gsc h VAL 111 Cb 0.51 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2gsc h VAL 111 CO 0.02 0.06 -0.02 0.15 0.02 0.00 0.00 177.57 177.81 2gsc h PHE 112 N 0.34 -0.05 -0.32 1.57 3.57 -0.73 0.13 116.94 121.46 2gsc h PHE 112 Ca 0.31 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.86 2gsc h PHE 112 Cb 0.41 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2gsc h PHE 112 CO -0.20 -0.08 0.14 0.00 -2.23 0.00 0.00 178.31 175.95 2gsc h ALA 113 N 1.30 0.38 -0.63 2.41 0.00 -0.69 -0.46 119.26 121.57 2gsc h ALA 113 Ca 0.16 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2gsc h ALA 113 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2gsc h ALA 113 CO -0.28 -0.25 0.06 0.87 0.00 0.00 0.00 179.25 179.65 2gsc h LYS 114 N 0.30 1.06 -0.34 0.00 6.56 -0.70 0.27 116.57 123.72 2gsc h LYS 114 Ca 0.14 -0.30 -0.03 0.00 -1.06 0.00 0.00 60.65 59.40 2gsc h LYS 114 Cb 0.07 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 2gsc h LYS 114 CO -0.11 1.00 0.10 -0.07 -2.06 0.00 0.00 179.45 178.30 2gsc h LEU 115 N 0.98 0.50 -0.87 2.94 3.38 -0.58 -2.16 115.31 119.51 2gsc h LEU 115 Ca 0.19 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2gsc h LEU 115 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2gsc h LEU 115 CO 0.02 0.58 -0.19 0.74 0.09 0.00 0.00 178.44 179.68 2gsc h THR 116 N 0.40 1.26 0.64 0.22 2.02 -0.80 -0.85 112.91 115.80 2gsc h THR 116 Ca 0.11 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 2gsc h THR 116 Cb 0.27 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2gsc h THR 116 CO -0.00 0.40 -0.31 0.00 0.37 0.00 0.00 175.52 175.98 2gsc h ALA 117 N 1.23 -0.86 -0.32 6.16 0.00 -0.35 -2.42 119.26 122.70 2gsc h ALA 117 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2gsc h ALA 117 Cb 0.64 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2gsc h ALA 117 CO 0.05 -0.95 -0.13 1.25 0.00 0.00 0.00 179.25 179.46 2gsc h LEU 118 N -0.93 0.54 -1.60 0.00 5.85 -1.37 -2.54 115.31 115.27 2gsc h LEU 118 Ca -0.09 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2gsc h LEU 118 Cb 0.68 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2gsc h LEU 118 CO 0.14 0.70 -0.21 -0.03 -0.34 0.00 0.00 178.44 178.70 2gsc h MET 119 N 0.51 0.00 0.03 1.25 4.05 -1.15 -3.19 114.93 116.43 2gsc h MET 119 Ca 0.09 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.29 2gsc h MET 119 Cb 0.53 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2gsc h MET 119 CO 0.03 0.21 -1.03 -0.91 0.23 0.00 0.00 176.91 175.44 2gsc h ASN 120 N 0.00 0.13 0.00 1.39 2.35 -0.99 -3.34 115.58 115.12 2gsc h ASN 120 Ca -0.00 -0.14 -0.58 0.00 -0.55 0.00 0.00 56.30 55.03 2gsc h ASN 120 Cb 0.40 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.75 2gsc h ASN 120 CO 0.03 1.08 2.69 0.00 -1.65 0.00 0.00 177.43 179.58 2gsc n ALA 121 N -2.41 4.54 1.04 -0.83 0.00 -1.19 -5.13 120.51 116.53 2gsc n ALA 121 Ca -0.03 -3.03 0.12 0.00 0.00 0.00 0.00 53.44 50.51 2gsc n ALA 121 Cb 0.94 -3.40 0.13 0.00 0.00 0.00 0.00 19.45 17.12 2gsc n ALA 121 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97