#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gkg s LYS 4 N 0.00 3.05 -0.03 1.97 1.02 -1.26 -1.12 119.74 123.37 2gkg s LYS 4 Ca 0.00 -0.39 0.05 0.00 0.02 0.00 0.00 55.97 55.65 2gkg s LYS 4 Cb 0.00 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2gkg s LYS 4 CO 0.00 0.70 -0.19 0.42 -0.92 0.00 0.00 175.35 175.36 2gkg s ILE 5 N -0.98 1.56 -0.16 2.17 1.01 0.28 -0.99 121.20 124.08 2gkg s ILE 5 Ca 0.16 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 2gkg s ILE 5 Cb -0.12 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2gkg s ILE 5 CO 0.05 0.44 -0.05 -0.22 0.00 0.00 0.00 174.94 175.17 2gkg s LEU 6 N -0.24 3.13 -0.27 2.97 2.96 -0.56 -0.97 118.68 125.70 2gkg s LEU 6 Ca 0.02 -0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 2gkg s LEU 6 Cb -0.10 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 2gkg s LEU 6 CO 0.01 0.13 0.18 -0.63 -1.32 0.00 0.00 176.35 174.72 2gkg s ILE 7 N 0.57 5.32 -0.47 6.68 1.01 -0.10 -0.96 121.20 133.26 2gkg s ILE 7 Ca -0.03 0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 2gkg s ILE 7 Cb -0.15 -3.52 0.11 0.00 0.01 0.00 0.00 42.46 38.92 2gkg s ILE 7 CO 0.03 0.27 0.34 -0.69 0.00 0.00 0.00 174.94 174.89 2gkg s VAL 8 N 1.59 4.29 -0.29 2.92 1.01 0.44 -0.72 120.40 129.64 2gkg s VAL 8 Ca 0.07 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 2gkg s VAL 8 Cb -0.15 -3.78 0.11 0.00 0.00 0.00 0.00 36.38 32.55 2gkg s VAL 8 CO 0.09 -0.73 0.67 -0.70 0.00 0.00 0.00 175.10 174.43 2gkg s GLU 9 N 1.39 0.63 0.23 2.72 2.56 -0.50 -1.21 118.70 124.53 2gkg s GLU 9 Ca 0.05 1.36 0.04 0.00 0.00 0.00 0.00 54.97 56.42 2gkg s GLU 9 Cb -0.26 0.57 0.23 0.00 2.00 0.00 0.00 34.13 36.67 2gkg s GLU 9 CO 0.00 -0.18 1.55 0.77 -0.56 0.00 0.00 175.26 176.84 2gkg h SER 10 N 7.58 0.31 -2.07 -1.70 0.02 -1.80 -3.34 113.55 112.55 2gkg h SER 10 Ca -0.23 -0.18 -0.52 0.00 -0.84 0.00 0.00 61.79 60.02 2gkg h SER 10 Cb 1.15 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.54 2gkg h SER 10 CO 0.13 0.84 1.17 -0.62 -1.14 0.00 0.00 176.83 177.21 2gkg s ASP 11 N -6.90 5.87 0.29 3.07 -1.08 -1.26 -4.86 116.67 111.80 2gkg s ASP 11 Ca -0.04 -0.31 0.05 0.00 -0.52 0.00 0.00 52.55 51.73 2gkg s ASP 11 Cb 0.12 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.47 2gkg s ASP 11 CO 0.80 -2.02 1.71 0.71 0.52 0.00 0.00 175.17 176.90 2gkg h THR 12 N 6.41 1.29 -0.16 1.71 1.35 -1.99 -0.43 112.91 121.08 2gkg h THR 12 Ca -0.22 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.22 2gkg h THR 12 Cb 1.08 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 2gkg h THR 12 CO 1.27 0.43 0.01 0.00 -0.25 0.00 0.00 175.52 176.97 2gkg h ALA 13 N 1.35 0.22 -0.16 6.62 0.00 -1.98 -1.24 119.26 124.07 2gkg h ALA 13 Ca 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2gkg h ALA 13 Cb 0.75 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2gkg h ALA 13 CO 0.06 -0.08 0.09 1.25 0.00 0.00 0.00 179.25 180.57 2gkg h LEU 14 N 0.04 0.20 -0.70 0.00 5.85 -1.93 -2.20 115.31 116.58 2gkg h LEU 14 Ca 0.05 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2gkg h LEU 14 Cb 0.36 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2gkg h LEU 14 CO 0.01 0.21 0.37 -1.28 -0.34 0.00 0.00 178.44 177.41 2gkg h SER 15 N 0.17 0.51 -0.48 1.25 0.87 -0.98 -0.37 113.55 114.52 2gkg h SER 15 Ca 0.06 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 2gkg h SER 15 Cb 0.06 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2gkg h SER 15 CO -0.01 0.31 0.08 0.00 -0.53 0.00 0.00 176.83 176.67 2gkg h ALA 16 N 1.40 1.13 0.00 6.23 0.00 -1.02 0.76 119.26 127.76 2gkg h ALA 16 Ca 0.33 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2gkg h ALA 16 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2gkg h ALA 16 CO -0.23 0.57 -0.84 0.00 0.00 0.00 0.00 179.25 178.75 2gkg h THR 17 N 0.81 1.55 -0.22 0.00 1.03 -0.71 -1.00 112.91 114.37 2gkg h THR 17 Ca 0.17 -2.72 -0.18 0.00 -0.01 0.00 0.00 66.41 63.66 2gkg h THR 17 Cb 0.38 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.95 2gkg h THR 17 CO 0.01 0.78 -0.56 -0.07 -0.01 0.00 0.00 175.52 175.67 2gkg h LEU 18 N 0.04 0.88 -0.77 0.00 3.38 -0.93 -2.67 115.31 115.25 2gkg h LEU 18 Ca -0.02 -0.57 0.06 0.00 0.09 0.00 0.00 57.88 57.44 2gkg h LEU 18 Cb 1.47 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2gkg h LEU 18 CO 0.12 1.29 0.46 -0.09 0.09 0.00 0.00 178.44 180.31 2gkg h ARG 19 N 0.52 0.82 -0.58 1.13 2.43 -0.77 -1.31 114.38 116.62 2gkg h ARG 19 Ca -0.01 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2gkg h ARG 19 Cb 1.18 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2gkg h ARG 19 CO 0.12 0.54 -0.01 1.03 -1.51 0.00 0.00 179.97 180.15 2gkg h SER 20 N 0.85 1.01 -0.28 -3.80 0.87 -1.14 0.17 113.55 111.23 2gkg h SER 20 Ca 0.34 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2gkg h SER 20 Cb 0.18 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2gkg h SER 20 CO -0.18 1.07 0.09 0.00 -0.53 0.00 0.00 176.83 177.29 2gkg h ALA 21 N 0.97 0.37 -0.67 6.23 0.00 -1.21 -1.66 119.26 123.28 2gkg h ALA 21 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2gkg h ALA 21 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2gkg h ALA 21 CO 0.03 -0.01 0.09 -0.07 0.00 0.00 0.00 179.25 179.30 2gkg h LEU 22 N 0.30 1.08 -0.72 0.00 3.38 -0.98 -2.43 115.31 115.93 2gkg h LEU 22 Ca 0.09 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2gkg h LEU 22 Cb 0.23 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2gkg h LEU 22 CO -0.00 1.07 0.23 -0.33 0.09 0.00 0.00 178.44 179.50 2gkg h GLU 23 N 1.04 1.12 0.00 1.13 5.08 -0.60 -1.62 114.58 120.73 2gkg h GLU 23 Ca 0.20 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2gkg h GLU 23 Cb 0.46 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2gkg h GLU 23 CO 0.02 0.95 -0.06 0.78 -1.00 0.00 0.00 179.01 179.70 2gkg h GLY 24 N 1.06 0.00 2.00 -3.84 0.00 -0.99 -0.50 103.07 100.80 2gkg h GLY 24 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2gkg h GLY 24 CO -0.01 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.44 2gkg h ARG 25 N 0.00 0.00 0.00 4.80 9.65 -0.98 -3.47 114.38 124.37 2gkg h ARG 25 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2gkg h ARG 25 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2gkg h ARG 25 CO 0.01 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.19 2gkg n GLY 26 N 1.14 1.16 3.82 2.80 0.00 -0.19 -4.64 105.19 109.27 2gkg n GLY 26 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2gkg n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gkg s PHE 27 N -2.00 3.23 -0.07 1.61 0.08 -0.65 -4.76 117.98 115.42 2gkg s PHE 27 Ca 0.00 1.53 -0.19 0.00 0.12 0.00 0.00 56.93 58.40 2gkg s PHE 27 Cb 0.00 -2.90 -0.05 0.00 -0.57 0.00 0.00 43.02 39.50 2gkg s PHE 27 CO 0.00 -0.55 0.51 0.99 -0.10 0.00 0.00 175.22 176.06 2gkg s THR 28 N -2.36 5.09 -0.04 0.64 2.01 -0.28 -4.12 115.64 116.59 2gkg s THR 28 Ca 0.62 1.03 0.02 0.00 0.31 0.00 0.00 61.69 63.67 2gkg s THR 28 Cb -0.12 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.56 2gkg s THR 28 CO 0.26 0.38 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.81 2gkg s VAL 29 N 0.19 0.66 0.32 3.82 1.01 -1.26 -0.56 120.40 124.58 2gkg s VAL 29 Ca 0.27 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.11 2gkg s VAL 29 Cb -0.16 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2gkg s VAL 29 CO 0.13 0.23 -0.07 -0.62 0.00 0.00 0.00 175.10 174.77 2gkg s ASP 30 N 0.53 3.92 0.02 3.32 2.15 -0.15 -4.98 116.67 121.48 2gkg s ASP 30 Ca -0.08 -1.05 0.03 0.00 0.43 0.00 0.00 52.55 51.88 2gkg s ASP 30 Cb -0.11 -0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 42.05 2gkg s ASP 30 CO 0.01 -0.15 -0.10 -1.61 -0.17 0.00 0.00 175.17 173.15 2gkg s GLU 31 N -3.63 0.71 -0.03 4.34 2.02 -1.26 -0.93 118.70 119.92 2gkg s GLU 31 Ca 0.33 -0.54 -0.02 0.00 0.02 0.00 0.00 54.97 54.76 2gkg s GLU 31 Cb -0.01 -0.66 0.02 0.00 0.10 0.00 0.00 34.13 33.58 2gkg s GLU 31 CO 0.17 0.17 0.07 -0.08 0.02 0.00 0.00 175.26 175.61 2gkg s THR 32 N -0.65 -0.02 -2.27 3.63 -1.32 0.10 -4.94 115.64 110.17 2gkg s THR 32 Ca -0.00 0.06 0.27 0.00 -1.21 0.00 0.00 61.69 60.81 2gkg s THR 32 Cb -0.06 -0.12 0.41 0.00 -1.51 0.00 0.00 72.50 71.21 2gkg s THR 32 CO 0.00 0.03 1.62 0.35 -2.21 0.00 0.00 174.62 174.41 2gkg n THR 33 N 3.41 0.00 -3.51 5.08 -2.24 -1.25 -1.40 114.28 114.36 2gkg n THR 33 Ca -0.17 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 2gkg n THR 33 Cb 0.57 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 2gkg n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gkg s ASP 34 N -2.19 6.19 0.23 3.42 -1.08 -1.26 -4.45 116.67 117.54 2gkg s ASP 34 Ca 0.32 -3.03 -0.08 0.00 -0.52 0.00 0.00 52.55 49.24 2gkg s ASP 34 Cb 0.20 -2.04 0.24 0.00 -1.46 0.00 0.00 42.92 39.86 2gkg s ASP 34 CO 0.40 -0.41 1.89 1.23 0.52 0.00 0.00 175.17 178.81 2gkg h GLY 35 N 7.10 1.24 0.95 2.66 0.00 -1.87 -2.54 103.07 110.61 2gkg h GLY 35 Ca 0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2gkg h GLY 35 CO 0.78 0.40 0.15 1.70 0.00 0.00 0.00 176.54 179.58 2gkg h LYS 36 N 1.12 0.69 0.00 4.80 3.64 -1.92 -1.64 116.57 123.26 2gkg h LYS 36 Ca 0.33 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2gkg h LYS 36 Cb -0.05 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2gkg h LYS 36 CO -0.10 0.65 0.00 0.41 -2.27 0.00 0.00 179.45 178.14 2gkg n GLY 37 N -0.71 -0.83 0.25 5.01 0.00 -1.03 -4.06 105.19 103.82 2gkg n GLY 37 Ca 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2gkg n GLY 37 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gkg h SER 38 N 0.00 0.71 -0.31 1.61 4.64 -0.89 -1.69 113.55 117.61 2gkg h SER 38 Ca 0.00 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2gkg h SER 38 Cb 0.16 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2gkg h SER 38 CO 0.00 0.97 0.16 0.58 -0.87 0.00 0.00 176.83 177.67 2gkg h VAL 39 N 0.58 1.14 0.00 0.95 2.07 -1.75 0.14 116.25 119.38 2gkg h VAL 39 Ca 0.07 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2gkg h VAL 39 Cb 0.81 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2gkg h VAL 39 CO 0.07 0.14 -0.50 -0.33 0.02 0.00 0.00 177.57 176.97 2gkg h GLU 40 N 0.38 0.00 -0.50 1.57 4.39 -1.80 -0.83 114.58 117.79 2gkg h GLU 40 Ca 0.11 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 2gkg h GLU 40 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2gkg h GLU 40 CO -0.02 0.50 0.10 0.37 -1.16 0.00 0.00 179.01 178.80 2gkg h GLN 41 N 0.00 0.82 -0.67 2.33 4.15 -0.85 -1.48 115.11 119.40 2gkg h GLN 41 Ca -0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 2gkg h GLN 41 Cb 0.88 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2gkg h GLN 41 CO 0.06 0.80 0.33 0.82 -1.93 0.00 0.00 178.83 178.92 2gkg h ILE 42 N 0.70 1.21 -0.29 2.39 2.04 -0.63 -1.30 117.51 121.64 2gkg h ILE 42 Ca 0.15 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2gkg h ILE 42 Cb 0.37 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2gkg h ILE 42 CO 0.01 0.25 0.11 -0.09 0.00 0.00 0.00 178.15 178.43 2gkg h ARG 43 N 0.94 0.43 0.00 2.37 2.43 -0.83 -3.24 114.38 116.49 2gkg h ARG 43 Ca 0.23 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2gkg h ARG 43 Cb 0.08 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2gkg h ARG 43 CO -0.03 0.46 -0.58 -0.09 -1.51 0.00 0.00 179.97 178.21 2gkg h ARG 44 N 0.32 0.00 -2.25 0.20 2.43 -0.97 -3.39 114.38 110.72 2gkg h ARG 44 Ca 0.10 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.69 2gkg h ARG 44 Cb 0.19 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.35 2gkg h ARG 44 CO -0.01 0.58 -0.98 -3.47 -1.51 0.00 0.00 179.97 174.59 2gkg n ASP 45 N -3.36 0.33 -4.61 -3.80 4.64 -0.52 -5.09 116.55 104.13 2gkg n ASP 45 Ca 0.01 -2.64 -0.43 0.00 -1.38 0.00 0.00 54.79 50.35 2gkg n ASP 45 Cb 0.71 -0.61 -0.03 0.00 -1.04 0.00 0.00 41.12 40.16 2gkg n ASP 45 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 2gkg s ARG 46 N -0.74 3.52 0.68 -0.67 6.06 -1.22 -4.57 118.95 122.00 2gkg s ARG 46 Ca 0.34 1.70 -0.09 0.00 -2.50 0.00 0.00 55.73 55.18 2gkg s ARG 46 Cb 0.09 -4.17 0.03 0.00 0.06 0.00 0.00 34.95 30.96 2gkg s ARG 46 CO -0.15 -1.64 1.03 -1.25 -2.50 0.00 0.00 175.30 170.79 2gkg s PRO 47 N 5.35 2.67 0.20 5.12 0.04 -1.26 -4.99 135.00 142.13 2gkg s PRO 47 Ca 0.81 0.15 0.15 0.00 0.04 0.00 0.00 61.00 62.15 2gkg s PRO 47 Cb -0.27 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2gkg s PRO 47 CO 0.33 -1.02 1.25 -0.44 0.04 0.00 0.00 177.00 177.16 2gkg h ASP 48 N -0.53 0.00 -3.64 6.66 3.32 -1.45 -3.48 116.42 117.31 2gkg h ASP 48 Ca -0.45 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 2gkg h ASP 48 Cb 1.27 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.58 2gkg h ASP 48 CO 0.62 0.57 -0.21 -0.22 -1.72 0.00 0.00 179.24 178.29 2gkg s LEU 49 N -6.29 0.08 -0.13 1.55 2.96 -1.02 -4.11 118.68 111.71 2gkg s LEU 49 Ca 0.02 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 2gkg s LEU 49 Cb 0.08 1.54 -0.02 0.00 0.50 0.00 0.00 46.19 48.29 2gkg s LEU 49 CO 0.77 -0.17 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.85 2gkg s VAL 50 N 0.69 3.47 -0.32 1.68 1.01 -0.28 -1.49 120.40 125.15 2gkg s VAL 50 Ca -0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2gkg s VAL 50 Cb -0.05 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2gkg s VAL 50 CO -0.05 0.52 0.25 -0.69 0.00 0.00 0.00 175.10 175.13 2gkg s VAL 51 N 0.24 5.27 -0.20 2.92 1.01 -0.13 -0.79 120.40 128.73 2gkg s VAL 51 Ca -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2gkg s VAL 51 Cb -0.15 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2gkg s VAL 51 CO 0.04 0.05 -0.12 -0.22 0.00 0.00 0.00 175.10 174.85 2gkg s LEU 52 N 1.78 2.35 0.38 3.92 2.96 0.18 -0.42 118.68 129.83 2gkg s LEU 52 Ca 0.07 -0.88 -0.24 0.00 -0.22 0.00 0.00 54.13 52.86 2gkg s LEU 52 Cb -0.17 -1.30 -0.09 0.00 0.50 0.00 0.00 46.19 45.13 2gkg s LEU 52 CO 0.11 -0.12 1.01 0.00 -1.32 0.00 0.00 176.35 176.02 2gkg s ALA 53 N 1.35 3.11 -0.00 5.97 0.00 -0.35 -1.16 121.76 130.69 2gkg s ALA 53 Ca -0.01 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 2gkg s ALA 53 Cb -0.16 -3.23 -0.21 0.00 0.00 0.00 0.00 23.12 19.52 2gkg s ALA 53 CO -0.09 -0.07 1.15 0.28 0.00 0.00 0.00 175.76 177.03 2gkg h VAL 54 N 2.26 1.44 -3.54 0.00 2.07 -1.61 -2.53 116.25 114.34 2gkg h VAL 54 Ca -0.48 -1.82 -0.59 0.00 0.82 0.00 0.00 66.70 64.64 2gkg h VAL 54 Cb 1.20 2.43 -0.10 0.00 -1.52 0.00 0.00 31.29 33.30 2gkg h VAL 54 CO 0.63 0.52 0.69 -1.81 0.02 0.00 0.00 177.57 177.62 2gkg s ASP 55 N -6.45 6.49 0.10 0.57 1.01 -1.26 -1.27 116.67 115.86 2gkg s ASP 55 Ca -0.14 0.10 0.10 0.00 0.71 0.00 0.00 52.55 53.32 2gkg s ASP 55 Cb 0.03 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 2gkg s ASP 55 CO 0.78 -1.17 -0.25 -0.76 0.21 0.00 0.00 175.17 173.97 2gkg s LEU 56 N 4.07 2.26 0.88 1.23 1.43 -1.12 -4.54 118.68 122.89 2gkg s LEU 56 Ca 0.39 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2gkg s LEU 56 Cb -0.10 -1.16 0.12 0.00 0.03 0.00 0.00 46.19 45.08 2gkg s LEU 56 CO 0.26 0.18 1.16 -1.54 0.23 0.00 0.00 176.35 176.64 2gkg n SER 57 N 1.25 0.56 -0.50 2.29 3.41 -1.26 -3.76 113.62 115.61 2gkg n SER 57 Ca -0.18 0.48 0.06 0.00 -0.26 0.00 0.00 58.87 58.97 2gkg n SER 57 Cb 0.53 -1.49 -0.01 0.00 -0.26 0.00 0.00 64.21 62.98 2gkg n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gkg n ALA 58 N -3.88 -1.08 -1.05 7.33 0.00 -1.26 -3.19 120.51 117.39 2gkg n ALA 58 Ca 0.13 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.53 2gkg n ALA 58 Cb 0.51 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 2gkg n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gkg n GLY 59 N -1.72 3.81 3.84 0.00 0.00 -1.26 -4.91 105.19 104.95 2gkg n GLY 59 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 2gkg n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gkg s GLN 60 N -1.13 4.08 0.03 1.61 -1.52 -1.19 -5.01 119.66 116.52 2gkg s GLN 60 Ca 0.41 0.85 -0.03 0.00 -1.95 0.00 0.00 55.36 54.64 2gkg s GLN 60 Cb 0.27 -2.32 -0.02 0.00 -0.22 0.00 0.00 33.01 30.72 2gkg s GLN 60 CO -0.07 0.05 0.02 0.54 -0.25 0.00 0.00 175.29 175.58 2gkg s ASN 61 N -2.32 0.26 0.54 5.90 2.20 -1.26 -2.77 114.94 117.48 2gkg s ASN 61 Ca 0.57 -0.61 0.31 0.00 -0.94 0.00 0.00 52.86 52.19 2gkg s ASN 61 Cb -0.10 0.17 1.48 0.00 -2.00 0.00 0.00 41.25 40.81 2gkg s ASN 61 CO 0.17 -0.45 2.05 1.23 -2.94 0.00 0.00 177.10 177.17 2gkg h GLY 62 N 3.92 0.00 1.78 0.45 0.00 -0.72 -2.58 103.07 105.93 2gkg h GLY 62 Ca -0.33 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 2gkg h GLY 62 CO 0.50 0.00 -0.86 -0.97 0.00 0.00 0.00 176.54 175.21 2gkg h TYR 63 N 0.00 0.29 0.00 5.60 0.05 -1.83 -0.98 116.97 120.11 2gkg h TYR 63 Ca -0.00 -0.16 -0.11 0.00 0.05 0.00 0.00 58.73 58.51 2gkg h TYR 63 Cb 0.40 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 2gkg h TYR 63 CO 0.00 0.96 -0.55 -0.07 -1.05 0.00 0.00 178.16 177.45 2gkg h LEU 64 N 0.11 0.00 -0.58 3.88 3.38 -1.87 -0.75 115.31 119.48 2gkg h LEU 64 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2gkg h LEU 64 Cb 1.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2gkg h LEU 64 CO 0.13 0.55 -0.15 0.40 0.09 0.00 0.00 178.44 179.45 2gkg h ILE 65 N 0.00 1.27 -0.62 1.22 1.08 -1.33 -1.01 117.51 118.11 2gkg h ILE 65 Ca -0.01 -1.30 -0.02 0.00 -0.39 0.00 0.00 64.86 63.14 2gkg h ILE 65 Cb 0.98 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 2gkg h ILE 65 CO 0.07 0.45 0.31 0.00 -0.69 0.00 0.00 178.15 178.30 2gkg h GLY 67 N 0.85 0.72 1.00 0.00 0.00 -0.77 -2.25 103.07 102.62 2gkg h GLY 67 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2gkg h GLY 67 CO -0.03 0.20 0.36 0.50 0.00 0.00 0.00 176.54 177.57 2gkg h LYS 68 N 0.61 0.77 -0.93 4.80 1.57 -1.10 -1.84 116.57 120.45 2gkg h LYS 68 Ca 0.20 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2gkg h LYS 68 Cb 0.02 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 2gkg h LYS 68 CO -0.09 0.54 0.61 -0.07 -0.57 0.00 0.00 179.45 179.88 2gkg h LEU 69 N 0.78 1.03 -0.08 2.94 3.38 -1.29 -2.96 115.31 119.11 2gkg h LEU 69 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2gkg h LEU 69 Cb -0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.47 2gkg h LEU 69 CO -0.04 0.71 0.00 0.11 0.09 0.00 0.00 178.44 179.31 2gkg h LYS 70 N 1.19 0.00 -0.42 1.13 6.56 -0.75 0.72 116.57 125.01 2gkg h LYS 70 Ca 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 2gkg h LYS 70 Cb -0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 2gkg h LYS 70 CO -0.10 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 178.92 2gkg n LYS 71 N -2.81 2.00 -3.74 3.15 5.02 -0.78 -4.74 118.16 116.24 2gkg n LYS 71 Ca 0.04 -1.55 -0.37 0.00 -2.02 0.00 0.00 58.31 54.41 2gkg n LYS 71 Cb 0.48 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 34.03 2gkg n LYS 71 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2gkg s ASP 72 N -1.04 5.16 0.54 4.39 -1.08 0.24 -4.97 116.67 119.92 2gkg s ASP 72 Ca 0.29 -0.46 0.19 0.00 -0.52 0.00 0.00 52.55 52.05 2gkg s ASP 72 Cb 0.15 -1.91 1.40 0.00 -1.46 0.00 0.00 42.92 41.10 2gkg s ASP 72 CO 0.20 -0.12 2.17 0.44 0.52 0.00 0.00 175.17 178.38 2gkg h ASP 73 N 8.25 0.00 1.34 -0.34 3.32 -1.85 -0.85 116.42 126.29 2gkg h ASP 73 Ca -0.35 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.63 2gkg h ASP 73 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2gkg h ASP 73 CO 0.60 0.00 -0.69 0.44 -1.72 0.00 0.00 179.24 177.87 2gkg h ASP 74 N 0.00 0.00 -0.01 6.45 3.32 -1.93 -3.37 116.42 120.88 2gkg h ASP 74 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gkg h ASP 74 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gkg h ASP 74 CO 0.00 0.29 -0.34 0.18 -1.72 0.00 0.00 179.24 177.65 2gkg n LEU 75 N -3.01 1.09 0.06 1.55 4.77 -0.69 -4.69 117.00 116.09 2gkg n LEU 75 Ca -0.01 -0.68 0.09 0.00 -0.03 0.00 0.00 56.01 55.39 2gkg n LEU 75 Cb 0.67 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 42.15 2gkg n LEU 75 CO 0.39 0.22 0.79 2.29 -1.33 0.00 0.00 177.39 179.75 2gkg n LYS 76 N -0.55 0.09 -0.12 3.23 2.85 -0.41 -2.08 118.16 121.17 2gkg n LYS 76 Ca 0.04 0.33 0.11 0.00 -1.05 0.00 0.00 58.31 57.74 2gkg n LYS 76 Cb 0.23 -1.67 0.16 0.00 -0.65 0.00 0.00 35.03 33.10 2gkg n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2gkg n ASN 77 N -1.84 3.15 -4.67 -5.58 3.02 -1.26 -4.88 115.26 103.20 2gkg n ASN 77 Ca 0.03 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 2gkg n ASN 77 Cb 0.20 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2gkg n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gkg s VAL 78 N -1.51 3.70 0.35 2.41 1.01 -0.88 -4.95 120.40 120.53 2gkg s VAL 78 Ca 0.32 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.00 2gkg s VAL 78 Cb 0.20 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 2gkg s VAL 78 CO 0.28 -0.04 1.37 -2.84 0.00 0.00 0.00 175.10 173.86 2gkg s PRO 79 N 3.16 4.25 -0.06 2.72 0.02 -1.26 -4.88 135.00 138.95 2gkg s PRO 79 Ca 0.66 2.33 0.04 0.00 0.02 0.00 0.00 61.00 64.06 2gkg s PRO 79 Cb -0.31 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.19 2gkg s PRO 79 CO 0.26 -0.32 -0.19 0.42 -0.33 0.00 0.00 177.00 176.85 2gkg s ILE 80 N -1.14 1.59 -0.26 2.83 1.01 -1.26 -1.12 121.20 122.84 2gkg s ILE 80 Ca 0.51 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 2gkg s ILE 80 Cb -0.42 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.70 2gkg s ILE 80 CO 0.56 0.45 -0.03 -0.69 0.00 0.00 0.00 174.94 175.24 2gkg s VAL 81 N 0.23 3.13 0.13 2.92 1.01 0.03 -1.14 120.40 126.71 2gkg s VAL 81 Ca -0.10 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2gkg s VAL 81 Cb -0.14 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 2gkg s VAL 81 CO 0.04 0.16 0.94 -0.63 0.00 0.00 0.00 175.10 175.62 2gkg s ILE 82 N 1.36 4.45 -0.16 2.22 -1.09 -0.34 -0.65 121.20 126.99 2gkg s ILE 82 Ca 0.01 2.03 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 2gkg s ILE 82 Cb -0.17 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.41 2gkg s ILE 82 CO -0.03 0.35 -0.15 0.27 -1.23 0.00 0.00 174.94 174.15 2gkg s ILE 83 N -0.20 2.66 -0.14 2.92 -4.36 -0.31 -0.46 121.20 121.32 2gkg s ILE 83 Ca 0.45 -0.77 0.00 0.00 -0.26 0.00 0.00 60.65 60.07 2gkg s ILE 83 Cb -0.23 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2gkg s ILE 83 CO 0.30 0.51 0.00 0.61 0.24 0.00 0.00 174.94 176.60 2gkg n GLY 84 N 4.14 -1.20 3.68 6.27 0.00 -1.01 -1.51 105.19 115.56 2gkg n GLY 84 Ca -0.19 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 2gkg n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gkg s ASN 85 N -2.59 6.71 0.17 1.61 3.84 -1.26 -1.10 114.94 122.31 2gkg s ASN 85 Ca 0.00 2.27 0.15 0.00 0.21 0.00 0.00 52.86 55.49 2gkg s ASN 85 Cb 0.00 -2.55 0.71 0.00 -0.55 0.00 0.00 41.25 38.86 2gkg s ASN 85 CO 0.00 -0.85 1.45 -0.81 -2.79 0.00 0.00 177.10 174.11 2gkg n PRO 86 N 6.06 0.09 0.12 0.43 -0.04 -1.26 -1.74 135.00 138.65 2gkg n PRO 86 Ca 0.15 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 2gkg n PRO 86 Cb 0.42 -1.74 0.44 0.00 -0.04 0.00 0.00 33.50 32.59 2gkg n PRO 86 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2gkg n ASP 87 N -1.92 0.43 -0.00 3.54 8.00 -1.26 -1.96 116.55 123.38 2gkg n ASP 87 Ca 0.00 0.69 0.10 0.00 0.71 0.00 0.00 54.79 56.30 2gkg n ASP 87 Cb 0.08 -0.75 -0.12 0.00 -0.02 0.00 0.00 41.12 40.32 2gkg n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gkg n GLY 88 N -1.25 -1.01 0.25 0.44 0.00 -0.71 -4.67 105.19 98.24 2gkg n GLY 88 Ca -0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2gkg n GLY 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2gkg h PHE 89 N 0.00 1.01 -0.76 1.61 0.04 -1.56 -2.68 116.94 114.60 2gkg h PHE 89 Ca 0.00 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.50 2gkg h PHE 89 Cb 0.54 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 2gkg h PHE 89 CO 0.00 1.06 0.47 0.00 -0.60 0.00 0.00 178.31 179.24 2gkg h ALA 90 N 0.79 0.96 -0.08 2.45 0.00 -1.83 -0.63 119.26 120.93 2gkg h ALA 90 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gkg h ALA 90 Cb 0.84 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gkg h ALA 90 CO 0.07 0.41 0.03 1.96 0.00 0.00 0.00 179.25 181.73 2gkg h GLN 91 N 1.03 0.11 -0.16 0.00 1.08 -1.86 -3.23 115.11 112.08 2gkg h GLN 91 Ca 0.27 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.34 2gkg h GLN 91 Cb -0.07 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2gkg h GLN 91 CO -0.05 0.21 -0.41 1.25 -0.95 0.00 0.00 178.83 178.88 2gkg h HIS 92 N -0.01 0.43 -0.01 2.96 2.76 -1.10 -2.54 115.15 117.64 2gkg h HIS 92 Ca 0.03 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2gkg h HIS 92 Cb 0.14 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2gkg h HIS 92 CO -0.03 0.72 0.01 0.00 -1.30 0.00 0.00 177.93 177.33 2gkg h ARG 93 N 0.31 0.00 0.00 5.26 3.08 -1.15 -1.85 114.38 120.03 2gkg h ARG 93 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2gkg h ARG 93 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2gkg h ARG 93 CO 0.07 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.60 2gkg n LYS 94 N -4.00 0.30 -3.82 0.04 5.02 -0.95 -4.81 118.16 109.94 2gkg n LYS 94 Ca -0.03 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2gkg n LYS 94 Cb 0.09 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2gkg n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gkg s LEU 95 N -2.65 4.26 0.42 -0.35 1.43 -0.69 -4.98 118.68 116.11 2gkg s LEU 95 Ca 0.22 0.22 0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2gkg s LEU 95 Cb 0.17 -3.00 0.97 0.00 0.03 0.00 0.00 46.19 44.36 2gkg s LEU 95 CO 0.41 -0.07 1.96 0.11 0.23 0.00 0.00 176.35 179.00 2gkg h LYS 96 N 1.53 0.47 -0.95 1.70 1.57 -1.91 -1.65 116.57 117.32 2gkg h LYS 96 Ca -0.50 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 57.91 2gkg h LYS 96 Cb 1.21 -0.11 -0.20 0.00 0.08 0.00 0.00 32.23 33.21 2gkg h LYS 96 CO 0.64 0.31 0.44 0.00 -0.57 0.00 0.00 179.45 180.27 2gkg n ALA 97 N -2.50 4.71 -1.48 3.86 0.00 -1.26 -4.98 120.51 118.86 2gkg n ALA 97 Ca 0.11 -2.13 -0.37 0.00 0.00 0.00 0.00 53.44 51.06 2gkg n ALA 97 Cb 0.37 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.58 2gkg n ALA 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2gkg n HIS 98 N -0.59 0.65 -1.79 0.00 1.44 -0.62 -4.56 115.22 109.74 2gkg n HIS 98 Ca 0.43 0.41 -0.29 0.00 -2.01 0.00 0.00 57.72 56.25 2gkg n HIS 98 Cb 1.35 -2.10 0.13 0.00 0.12 0.00 0.00 29.99 29.49 2gkg n HIS 98 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2gkg s ALA 99 N -1.68 2.27 -0.08 1.59 0.00 -1.26 -5.00 121.76 117.59 2gkg s ALA 99 Ca 0.75 -0.77 0.14 0.00 0.00 0.00 0.00 51.96 52.07 2gkg s ALA 99 Cb -0.37 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 2gkg s ALA 99 CO 0.49 -2.08 1.07 -0.44 0.00 0.00 0.00 175.76 174.79 2gkg h ASP 100 N -1.37 0.00 -5.07 0.00 3.32 -1.52 -3.48 116.42 108.31 2gkg h ASP 100 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 2gkg h ASP 100 Cb 1.30 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.72 2gkg h ASP 100 CO 0.57 0.67 -0.10 -0.70 -1.72 0.00 0.00 179.24 177.96 2gkg s GLU 101 N -2.86 1.01 -0.04 3.56 2.56 -0.85 -5.02 118.70 117.06 2gkg s GLU 101 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.97 54.33 2gkg s GLU 101 Cb 0.08 0.45 0.03 0.00 2.00 0.00 0.00 34.13 36.69 2gkg s GLU 101 CO 0.79 -0.38 -0.01 0.71 -0.56 0.00 0.00 175.26 175.81 2gkg s TYR 102 N -3.47 0.51 -0.11 5.30 2.02 -1.26 -1.20 117.35 119.14 2gkg s TYR 102 Ca 0.01 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2gkg s TYR 102 Cb 0.01 -0.58 0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2gkg s TYR 102 CO -0.10 -0.20 -0.15 0.08 -1.57 0.00 0.00 175.55 173.61 2gkg s VAL 103 N 1.29 1.50 0.38 0.71 1.01 0.39 -4.97 120.40 120.72 2gkg s VAL 103 Ca -0.06 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2gkg s VAL 103 Cb -0.13 -1.37 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 2gkg s VAL 103 CO -0.02 0.44 1.21 0.00 0.00 0.00 0.00 175.10 176.73 2gkg s ALA 104 N 0.98 3.23 0.09 5.51 0.00 -1.26 -2.39 121.76 127.92 2gkg s ALA 104 Ca -0.07 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.71 2gkg s ALA 104 Cb -0.15 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 2gkg s ALA 104 CO -0.01 -0.58 0.70 0.15 0.00 0.00 0.00 175.76 176.02 2gkg s LYS 105 N -2.16 4.43 0.21 0.00 1.02 -0.26 -3.13 119.74 119.86 2gkg s LYS 105 Ca 0.55 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 57.22 2gkg s LYS 105 Cb -0.33 -3.29 -0.09 0.00 -0.52 0.00 0.00 37.83 33.60 2gkg s LYS 105 CO 0.42 0.49 1.27 -1.25 -0.92 0.00 0.00 175.35 175.36 2gkg s PRO 106 N -0.74 4.43 -0.00 -1.68 0.04 -1.26 -4.72 135.00 131.06 2gkg s PRO 106 Ca 0.34 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 2gkg s PRO 106 Cb -0.21 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2gkg s PRO 106 CO 0.23 -0.18 1.06 0.08 0.04 0.00 0.00 177.00 178.23 2gkg s VAL 107 N -0.07 4.58 -0.60 -0.36 1.01 -1.18 -4.98 120.40 118.80 2gkg s VAL 107 Ca 0.54 1.86 -0.28 0.00 0.00 0.00 0.00 61.98 64.10 2gkg s VAL 107 Cb -0.35 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 31.87 2gkg s VAL 107 CO 0.39 0.11 1.20 -0.62 0.00 0.00 0.00 175.10 176.18 2gkg s ASP 108 N 1.08 6.42 0.24 3.32 3.68 -1.26 -4.92 116.67 125.23 2gkg s ASP 108 Ca 0.54 0.04 -0.07 0.00 2.13 0.00 0.00 52.55 55.19 2gkg s ASP 108 Cb -0.23 -2.55 0.24 0.00 -1.45 0.00 0.00 42.92 38.93 2gkg s ASP 108 CO 0.26 -1.52 1.91 0.00 0.13 0.00 0.00 175.17 175.96 2gkg h ALA 109 N 9.59 1.23 -0.51 3.66 0.00 -1.96 -1.23 119.26 130.04 2gkg h ALA 109 Ca -0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2gkg h ALA 109 Cb 1.06 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2gkg h ALA 109 CO 1.20 0.64 0.08 -0.44 0.00 0.00 0.00 179.25 180.72 2gkg h ASP 110 N 1.32 0.76 -0.59 0.00 3.32 -1.99 -1.05 116.42 118.18 2gkg h ASP 110 Ca 0.35 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2gkg h ASP 110 Cb -0.13 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 2gkg h ASP 110 CO -0.07 0.78 0.30 -0.61 -1.72 0.00 0.00 179.24 177.91 2gkg h GLN 111 N 0.77 0.85 -0.46 3.56 4.15 -1.81 -1.27 115.11 120.90 2gkg h GLN 111 Ca 0.16 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.49 2gkg h GLN 111 Cb 0.35 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 2gkg h GLN 111 CO 0.01 0.67 0.27 1.25 -1.93 0.00 0.00 178.83 179.09 2gkg h LEU 112 N 0.81 0.42 -0.42 -2.39 5.85 -0.75 -0.32 115.31 118.51 2gkg h LEU 112 Ca 0.21 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2gkg h LEU 112 Cb 0.09 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2gkg h LEU 112 CO -0.03 0.30 0.20 0.58 -0.34 0.00 0.00 178.44 179.15 2gkg h VAL 113 N 0.53 0.96 -0.88 1.05 2.07 -1.01 -0.92 116.25 118.05 2gkg h VAL 113 Ca 0.19 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.59 2gkg h VAL 113 Cb 0.03 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2gkg h VAL 113 CO -0.09 0.07 0.58 -0.08 0.02 0.00 0.00 177.57 178.07 2gkg h GLU 114 N 0.40 1.10 -0.25 1.57 4.57 -0.71 -1.65 114.58 119.61 2gkg h GLU 114 Ca 0.18 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 2gkg h GLU 114 Cb 0.10 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2gkg h GLU 114 CO -0.14 0.73 -0.55 0.00 -1.18 0.00 0.00 179.01 177.87 2gkg h ARG 115 N 1.13 0.76 -0.27 1.92 2.47 -0.61 -2.13 114.38 117.65 2gkg h ARG 115 Ca 0.34 -0.48 0.01 0.00 -1.26 0.00 0.00 59.98 58.59 2gkg h ARG 115 Cb -0.03 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 2gkg h ARG 115 CO -0.09 1.11 0.15 0.00 0.56 0.00 0.00 179.97 181.70 2gkg h ALA 116 N 0.79 0.33 -0.35 0.04 0.00 -0.86 -1.61 119.26 117.60 2gkg h ALA 116 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2gkg h ALA 116 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2gkg h ALA 116 CO 0.12 -0.23 0.04 0.78 0.00 0.00 0.00 179.25 179.96 2gkg h GLY 117 N 0.32 0.57 1.37 0.00 0.00 -1.29 -1.51 103.07 102.53 2gkg h GLY 117 Ca 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2gkg h GLY 117 CO -0.05 0.30 0.16 0.00 0.00 0.00 0.00 176.54 176.94 2gkg h ALA 118 N 1.54 1.28 0.22 3.60 0.00 -0.98 0.17 119.26 125.09 2gkg h ALA 118 Ca 0.12 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 2gkg h ALA 118 Cb 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.86 2gkg h ALA 118 CO 0.00 0.51 -1.54 -0.07 0.00 0.00 0.00 179.25 178.16 2gkg h LEU 119 N 0.78 0.73 -0.93 0.00 3.38 -0.69 -3.41 115.31 115.17 2gkg h LEU 119 Ca 0.18 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2gkg h LEU 119 Cb 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2gkg h LEU 119 CO -0.01 1.69 0.00 2.30 0.09 0.00 0.00 178.44 182.51 2gkg n ILE 120 N -3.65 0.01 0.00 1.22 -5.35 -0.63 -5.07 119.36 105.90 2gkg n ILE 120 Ca -0.18 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 2gkg n ILE 120 Cb 1.09 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 40.08 2gkg n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gkg n GLY 121 N -0.01 -1.07 3.82 3.28 0.00 0.58 -4.97 105.19 106.82 2gkg n GLY 121 Ca 0.00 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 2gkg n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gkg s PHE 122 N -3.30 3.29 0.55 1.61 0.08 -1.25 -4.54 117.98 114.42 2gkg s PHE 122 Ca 0.00 1.60 -0.22 0.00 0.12 0.00 0.00 56.93 58.44 2gkg s PHE 122 Cb 0.00 -2.86 -0.05 0.00 -0.57 0.00 0.00 43.02 39.54 2gkg s PHE 122 CO 0.00 -0.17 1.35 -2.14 -0.10 0.00 0.00 175.22 174.16 2gkg s PRO 123 N -3.21 3.14 0.00 0.24 0.02 -1.26 -5.07 135.00 128.85 2gkg s PRO 123 Ca 0.62 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2gkg s PRO 123 Cb -0.10 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.18 2gkg s PRO 123 CO 0.14 -1.18 0.00 0.39 -0.33 0.00 0.00 177.00 176.02