#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0s s VAL 1 N 0.00 -0.01 0.22 3.17 1.01 -1.26 -5.05 120.40 118.49 2g0s s VAL 1 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2g0s s VAL 1 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 36.38 36.24 2g0s s VAL 1 CO 0.00 0.05 0.54 -0.76 0.00 0.00 0.00 175.10 174.94 2g0s s LEU 2 N 0.58 4.17 0.68 3.92 1.02 -1.26 -5.08 118.68 122.71 2g0s s LEU 2 Ca -0.05 0.91 -0.09 0.00 0.02 0.00 0.00 54.13 54.92 2g0s s LEU 2 Cb -0.07 -3.66 0.03 0.00 0.02 0.00 0.00 46.19 42.50 2g0s s LEU 2 CO -0.02 -0.07 1.03 -0.94 0.02 0.00 0.00 176.35 176.38 2g0s s SER 3 N -2.35 5.31 0.36 2.29 1.04 -1.26 -4.89 113.70 114.20 2g0s s SER 3 Ca 0.47 0.88 0.03 0.00 0.48 0.00 0.00 55.95 57.81 2g0s s SER 3 Cb -0.11 -1.68 0.68 0.00 0.10 0.00 0.00 66.02 65.00 2g0s s SER 3 CO 0.21 -1.35 2.02 -0.08 0.98 0.00 0.00 173.24 175.02 2g0s h GLU 4 N -0.54 0.76 -0.83 4.02 4.57 -1.99 -1.81 114.58 118.76 2g0s h GLU 4 Ca -0.45 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2g0s h GLU 4 Cb 1.27 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 2g0s h GLU 4 CO 0.63 0.51 0.50 0.78 -1.18 0.00 0.00 179.01 180.25 2g0s h GLY 5 N 0.79 1.21 1.08 1.92 0.00 -1.99 0.05 103.07 106.12 2g0s h GLY 5 Ca 0.21 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 2g0s h GLY 5 CO -0.04 0.49 -0.27 0.83 0.00 0.00 0.00 176.54 177.54 2g0s h GLU 6 N 1.14 0.91 -0.62 4.80 5.08 -1.75 -2.57 114.58 121.57 2g0s h GLU 6 Ca 0.30 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2g0s h GLU 6 Cb -0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2g0s h GLU 6 CO -0.06 1.08 0.22 -1.49 -1.00 0.00 0.00 179.01 177.77 2g0s h TRP 7 N 0.73 0.94 -0.84 4.33 4.06 -0.96 -1.88 115.95 122.34 2g0s h TRP 7 Ca 0.08 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 2g0s h TRP 7 Cb 0.85 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.69 2g0s h TRP 7 CO 0.06 0.74 0.42 1.96 -3.56 0.00 0.00 178.44 178.06 2g0s h GLN 8 N 0.91 1.19 -0.65 0.49 1.08 -0.80 0.73 115.11 118.06 2g0s h GLN 8 Ca 0.21 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 2g0s h GLN 8 Cb 0.22 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 2g0s h GLN 8 CO -0.01 0.90 0.10 -0.07 -0.95 0.00 0.00 178.83 178.80 2g0s h LEU 9 N 1.18 1.04 -0.11 1.46 3.38 -1.04 -0.09 115.31 121.13 2g0s h LEU 9 Ca 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2g0s h LEU 9 Cb 0.09 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2g0s h LEU 9 CO -0.04 1.03 0.00 0.58 0.09 0.00 0.00 178.44 180.11 2g0s h VAL 10 N 1.01 1.25 0.00 1.22 2.07 -0.86 -2.90 116.25 118.04 2g0s h VAL 10 Ca 0.20 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2g0s h VAL 10 Cb 0.44 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2g0s h VAL 10 CO 0.01 0.23 -0.37 -0.07 0.02 0.00 0.00 177.57 177.39 2g0s h LEU 11 N -0.07 0.00 -0.19 2.57 3.38 -0.79 -1.42 115.31 118.79 2g0s h LEU 11 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2g0s h LEU 11 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2g0s h LEU 11 CO 0.01 0.37 -0.04 -0.74 0.09 0.00 0.00 178.44 178.12 2g0s h HIS 12 N 0.00 0.41 -0.01 1.13 2.76 -0.96 -1.27 115.15 117.22 2g0s h HIS 12 Ca -0.00 -0.09 -0.15 0.00 -2.20 0.00 0.00 60.37 57.93 2g0s h HIS 12 Cb 0.86 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 2g0s h HIS 12 CO 0.00 0.62 -0.71 -0.24 -1.30 0.00 0.00 177.93 176.30 2g0s h VAL 13 N 0.09 1.48 -0.12 5.26 3.04 -1.45 -2.97 116.25 121.58 2g0s h VAL 13 Ca 0.05 -2.36 -0.07 0.00 -1.01 0.00 0.00 66.70 63.31 2g0s h VAL 13 Cb 0.48 2.27 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 2g0s h VAL 13 CO 0.02 0.68 -0.23 -0.25 -1.01 0.00 0.00 177.57 176.78 2g0s h TRP 14 N 0.04 0.22 -0.15 3.17 2.91 -1.13 -1.67 115.95 119.35 2g0s h TRP 14 Ca -0.01 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 2g0s h TRP 14 Cb 1.25 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 2g0s h TRP 14 CO 0.01 0.43 -0.03 0.00 -1.03 0.00 0.00 178.44 177.81 2g0s h ALA 15 N 1.58 1.67 -0.24 2.65 0.00 -1.06 -1.01 119.26 122.85 2g0s h ALA 15 Ca 0.03 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2g0s h ALA 15 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2g0s h ALA 15 CO 0.03 0.25 -0.51 0.87 0.00 0.00 0.00 179.25 179.90 2g0s h LYS 16 N 0.22 0.77 -0.94 0.00 1.79 -1.34 -3.08 116.57 113.99 2g0s h LYS 16 Ca 0.05 -0.51 0.01 0.00 -2.18 0.00 0.00 60.65 58.03 2g0s h LYS 16 Cb 0.21 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 2g0s h LYS 16 CO 0.01 1.13 0.62 0.28 -1.08 0.00 0.00 179.45 180.41 2g0s h VAL 17 N 0.52 1.23 0.00 0.50 2.07 -0.91 -1.83 116.25 117.83 2g0s h VAL 17 Ca 0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2g0s h VAL 17 Cb 1.12 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2g0s h VAL 17 CO 0.11 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 177.31 2g0s n GLU 18 N -4.44 0.00 0.25 1.57 1.02 -0.46 -1.32 120.64 117.27 2g0s n GLU 18 Ca 0.11 0.38 0.14 0.00 -0.02 0.00 0.00 57.16 57.77 2g0s n GLU 18 Cb 0.02 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.47 2g0s n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g0s h ALA 19 N 2.23 1.00 -0.83 0.62 0.00 -1.35 -3.36 119.26 117.57 2g0s h ALA 19 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 2g0s h ALA 19 Cb 0.11 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.68 2g0s h ALA 19 CO 0.00 0.09 -0.66 -3.47 0.00 0.00 0.00 179.25 175.21 2g0s n ASP 20 N -3.18 -2.21 -0.12 0.00 2.03 -0.43 -5.02 116.55 107.63 2g0s n ASP 20 Ca 0.01 -3.02 -0.08 0.00 0.52 0.00 0.00 54.79 52.22 2g0s n ASP 20 Cb 0.39 1.12 -0.00 0.00 -0.72 0.00 0.00 41.12 41.90 2g0s n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2g0s h VAL 21 N 3.39 1.10 -0.44 5.18 2.07 -1.69 -2.05 116.25 123.81 2g0s h VAL 21 Ca -0.02 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2g0s h VAL 21 Cb 1.01 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2g0s h VAL 21 CO 0.29 0.10 0.22 0.00 0.02 0.00 0.00 177.57 178.20 2g0s h ALA 22 N 1.13 0.55 -0.49 1.67 0.00 -1.90 0.74 119.26 120.97 2g0s h ALA 22 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2g0s h ALA 22 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2g0s h ALA 22 CO -0.03 -0.12 0.20 0.78 0.00 0.00 0.00 179.25 180.07 2g0s h GLY 23 N 0.45 0.78 1.27 0.00 0.00 -1.91 -1.79 103.07 101.87 2g0s h GLY 23 Ca 0.19 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 2g0s h GLY 23 CO -0.13 0.40 -0.09 0.45 0.00 0.00 0.00 176.54 177.18 2g0s h HIS 24 N 0.65 0.94 -0.50 5.60 3.86 -1.10 -2.37 115.15 122.23 2g0s h HIS 24 Ca 0.16 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2g0s h HIS 24 Cb 0.19 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 2g0s h HIS 24 CO 0.00 0.90 0.29 0.78 0.86 0.00 0.00 177.93 180.77 2g0s h GLY 25 N 0.97 0.71 0.87 2.45 0.00 -0.53 -1.27 103.07 106.28 2g0s h GLY 25 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2g0s h GLY 25 CO 0.04 0.18 0.05 1.46 0.00 0.00 0.00 176.54 178.26 2g0s h GLN 26 N 0.58 0.19 -0.71 4.80 4.20 -1.13 -2.23 115.11 120.81 2g0s h GLN 26 Ca 0.21 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.94 2g0s h GLN 26 Cb 0.04 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 2g0s h GLN 26 CO -0.10 0.28 0.40 -0.44 -0.67 0.00 0.00 178.83 178.30 2g0s h ASP 27 N 0.05 0.61 -0.29 1.46 3.32 -1.21 -0.74 116.42 119.62 2g0s h ASP 27 Ca 0.04 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2g0s h ASP 27 Cb 0.16 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2g0s h ASP 27 CO -0.00 0.39 0.05 0.40 -1.72 0.00 0.00 179.24 178.36 2g0s h ILE 28 N 0.74 1.23 -0.04 0.35 2.04 -1.14 -1.56 117.51 119.14 2g0s h ILE 28 Ca 0.31 -0.79 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 2g0s h ILE 28 Cb 0.18 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2g0s h ILE 28 CO -0.18 0.26 -0.61 -0.26 0.00 0.00 0.00 178.15 177.36 2g0s h PHE 29 N 0.30 0.18 -0.42 1.37 0.04 -1.17 -0.84 116.94 116.40 2g0s h PHE 29 Ca 0.09 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 2g0s h PHE 29 Cb 0.34 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 2g0s h PHE 29 CO 0.02 0.71 -0.21 0.82 -0.60 0.00 0.00 178.31 179.05 2g0s h ILE 30 N 0.10 1.28 -0.18 -0.55 2.04 -1.10 -0.53 117.51 118.56 2g0s h ILE 30 Ca -0.01 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 2g0s h ILE 30 Cb 1.09 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2g0s h ILE 30 CO 0.09 0.46 0.10 -0.09 0.00 0.00 0.00 178.15 178.71 2g0s h ARG 31 N 0.70 0.26 0.00 2.37 9.65 -1.11 -0.59 114.38 125.66 2g0s h ARG 31 Ca 0.09 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2g0s h ARG 31 Cb 0.78 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2g0s h ARG 31 CO 0.06 0.24 -0.11 1.25 2.80 0.00 0.00 179.97 184.22 2g0s h LEU 32 N 0.20 -0.30 -1.08 3.80 5.85 -0.98 0.33 115.31 123.13 2g0s h LEU 32 Ca 0.07 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2g0s h LEU 32 Cb 0.06 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2g0s h LEU 32 CO -0.01 -0.15 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.61 2g0s h PHE 33 N -0.18 0.61 0.00 1.25 0.04 -0.99 0.93 116.94 118.61 2g0s h PHE 33 Ca 0.04 -0.08 -0.26 0.00 2.80 0.00 0.00 57.97 60.46 2g0s h PHE 33 Cb 0.23 -0.17 0.02 0.00 2.20 0.00 0.00 35.95 38.23 2g0s h PHE 33 CO -0.17 0.64 -1.04 0.87 -0.60 0.00 0.00 178.31 178.01 2g0s h LYS 34 N 0.54 0.67 0.04 1.51 1.79 -0.92 -2.71 116.57 117.49 2g0s h LYS 34 Ca 0.10 -0.73 -0.25 0.00 -2.18 0.00 0.00 60.65 57.60 2g0s h LYS 34 Cb 0.45 0.21 0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2g0s h LYS 34 CO 0.02 1.31 -1.05 0.77 -1.08 0.00 0.00 179.45 179.42 2g0s h SER 35 N 0.37 0.59 -2.22 0.86 0.02 -0.84 -3.39 113.55 108.95 2g0s h SER 35 Ca -0.13 -0.51 -0.58 0.00 -0.84 0.00 0.00 61.79 59.73 2g0s h SER 35 Cb 1.69 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 63.65 2g0s h SER 35 CO 0.20 1.33 -0.93 1.41 -1.14 0.00 0.00 176.83 177.70 2g0s n HIS 36 N -3.72 0.56 -0.15 3.45 8.25 0.31 -4.98 115.22 118.93 2g0s n HIS 36 Ca -0.08 -3.67 0.29 0.00 -0.26 0.00 0.00 57.72 53.99 2g0s n HIS 36 Cb 0.89 -0.26 0.69 0.00 1.12 0.00 0.00 29.99 32.44 2g0s n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2g0s h PRO 37 N 4.55 0.00 0.00 -0.41 0.11 -1.66 -0.22 132.00 134.38 2g0s h PRO 37 Ca 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 2g0s h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 2g0s h PRO 37 CO 0.53 0.00 -0.10 1.05 -0.21 0.00 0.00 178.00 179.27 2g0s h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.71 114.58 121.09 2g0s h GLU 38 Ca 0.42 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.75 2g0s h GLU 38 Cb 1.96 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.05 2g0s h GLU 38 CO -0.00 0.10 -0.37 1.79 0.05 0.00 0.00 179.01 180.57 2g0s h THR 39 N 0.00 1.05 -0.17 -1.06 1.35 -1.37 -2.87 112.91 109.84 2g0s h THR 39 Ca -0.00 -1.39 -0.03 0.00 -0.55 0.00 0.00 66.41 64.44 2g0s h THR 39 Cb 0.28 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 2g0s h THR 39 CO 0.01 0.37 -0.05 0.25 -0.25 0.00 0.00 175.52 175.85 2g0s h LEU 40 N 0.00 0.23 -1.70 3.87 5.85 -1.46 -2.28 115.31 119.82 2g0s h LEU 40 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2g0s h LEU 40 Cb 0.77 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2g0s h LEU 40 CO 0.05 0.32 0.00 -0.33 -0.34 0.00 0.00 178.44 178.14 2g0s h GLU 41 N 0.25 0.00 0.00 1.25 5.08 -1.61 -1.97 114.58 117.59 2g0s h GLU 41 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2g0s h GLU 41 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2g0s h GLU 41 CO 0.01 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.89 2g0s h LYS 42 N 0.00 0.00 -4.18 2.33 1.79 -1.57 -3.41 116.57 111.53 2g0s h LYS 42 Ca 0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 2g0s h LYS 42 Cb 0.16 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.54 2g0s h LYS 42 CO 0.00 0.00 -0.30 -0.06 -1.08 0.00 0.00 179.45 178.01 2g0s s PHE 43 N -3.18 3.35 0.51 -1.35 0.40 -0.74 -4.92 117.98 112.05 2g0s s PHE 43 Ca 0.09 -1.60 0.27 0.00 -0.60 0.00 0.00 56.93 55.08 2g0s s PHE 43 Cb 0.10 -3.65 1.59 0.00 0.51 0.00 0.00 43.02 41.56 2g0s s PHE 43 CO 0.59 -1.01 2.16 -0.44 0.70 0.00 0.00 175.22 177.22 2g0s h ASP 44 N 8.64 0.00 1.75 1.36 3.32 -1.84 0.19 116.42 129.84 2g0s h ASP 44 Ca -0.25 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2g0s h ASP 44 Cb 1.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 2g0s h ASP 44 CO 0.95 0.06 -0.09 0.03 -1.72 0.00 0.00 179.24 178.46 2g0s h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -1.94 -3.37 114.38 115.71 2g0s h ARG 45 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2g0s h ARG 45 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2g0s h ARG 45 CO 0.01 0.09 0.00 1.19 -1.07 0.00 0.00 179.97 180.19 2g0s n PHE 46 N -3.13 0.00 0.03 3.04 3.72 -0.65 -4.78 117.46 115.69 2g0s n PHE 46 Ca 0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.45 2g0s n PHE 46 Cb 0.53 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.19 2g0s n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2g0s n LYS 47 N -0.60 0.03 0.16 -1.08 2.85 0.58 -1.28 118.16 118.81 2g0s n LYS 47 Ca 0.00 0.49 0.11 0.00 -1.05 0.00 0.00 58.31 57.86 2g0s n LYS 47 Cb 0.01 -1.63 0.08 0.00 -0.65 0.00 0.00 35.03 32.84 2g0s n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2g0s h HIS 48 N 0.00 0.00 -2.22 5.58 2.07 -1.86 -3.46 115.15 115.26 2g0s h HIS 48 Ca 0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 2g0s h HIS 48 Cb 0.09 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.10 2g0s h HIS 48 CO 0.00 0.04 1.05 1.28 -3.07 0.00 0.00 177.93 177.23 2g0s n LEU 49 N -2.92 3.59 -0.09 6.12 4.77 -0.41 -4.89 117.00 123.18 2g0s n LEU 49 Ca 0.02 0.99 -0.14 0.00 -0.03 0.00 0.00 56.01 56.84 2g0s n LEU 49 Cb 0.56 -1.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.07 2g0s n LEU 49 CO 0.37 -0.02 -1.11 0.29 -1.33 0.00 0.00 177.39 175.58 2g0s n LYS 50 N 5.83 0.68 -4.41 3.23 5.02 -1.26 -5.03 118.16 122.22 2g0s n LYS 50 Ca 0.20 0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.41 2g0s n LYS 50 Cb 0.32 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 2g0s n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2g0s s THR 51 N -2.52 1.49 0.37 -0.18 -4.23 -1.26 -5.02 115.64 104.28 2g0s s THR 51 Ca -0.21 -2.09 0.06 0.00 -1.18 0.00 0.00 61.69 58.27 2g0s s THR 51 Cb 0.07 -2.45 0.18 0.00 1.34 0.00 0.00 72.50 71.65 2g0s s THR 51 CO 0.73 -0.29 1.93 -0.08 -0.54 0.00 0.00 174.62 176.37 2g0s h GLU 52 N 2.31 0.44 -0.45 3.99 4.81 -1.99 -1.13 114.58 122.57 2g0s h GLU 52 Ca -0.40 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2g0s h GLU 52 Cb 1.23 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2g0s h GLU 52 CO 0.67 0.46 0.22 0.00 -0.73 0.00 0.00 179.01 179.63 2g0s h ALA 53 N 1.59 0.58 -0.43 2.92 0.00 -1.99 -0.01 119.26 121.92 2g0s h ALA 53 Ca 0.10 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2g0s h ALA 53 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2g0s h ALA 53 CO 0.01 0.13 -0.08 0.93 0.00 0.00 0.00 179.25 180.23 2g0s h GLU 54 N 0.58 0.75 -0.28 0.00 5.08 -1.78 -2.29 114.58 116.65 2g0s h GLU 54 Ca 0.15 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2g0s h GLU 54 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2g0s h GLU 54 CO -0.02 0.82 0.11 0.52 -1.00 0.00 0.00 179.01 179.43 2g0s h MET 55 N 0.69 0.42 -0.36 2.33 2.86 -0.77 -2.14 114.93 117.96 2g0s h MET 55 Ca 0.12 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2g0s h MET 55 Cb 0.54 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2g0s h MET 55 CO 0.03 0.45 0.09 0.87 1.06 0.00 0.00 176.91 179.41 2g0s h LYS 56 N 0.30 0.52 0.00 1.72 1.57 -0.83 -2.45 116.57 117.39 2g0s h LYS 56 Ca 0.09 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2g0s h LYS 56 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2g0s h LYS 56 CO -0.01 0.47 -0.10 0.00 -0.57 0.00 0.00 179.45 179.24 2g0s n ALA 57 N -2.48 2.55 -2.30 3.86 0.00 -0.88 -4.82 120.51 116.44 2g0s n ALA 57 Ca 0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2g0s n ALA 57 Cb 0.18 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2g0s n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2g0s s SER 58 N -3.20 6.60 0.15 0.00 0.15 -0.83 -4.89 113.70 111.68 2g0s s SER 58 Ca 0.13 1.43 -0.10 0.00 0.70 0.00 0.00 55.95 58.10 2g0s s SER 58 Cb 0.18 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 2g0s s SER 58 CO 0.57 -1.10 1.50 -0.08 1.20 0.00 0.00 173.24 175.33 2g0s h GLU 59 N 9.66 0.95 -0.59 5.44 4.57 -1.88 -2.63 114.58 130.11 2g0s h GLU 59 Ca -0.29 -0.48 -0.06 0.00 -1.18 0.00 0.00 59.36 57.35 2g0s h GLU 59 Cb 1.12 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 2g0s h GLU 59 CO 1.01 1.14 0.13 -0.44 -1.18 0.00 0.00 179.01 179.67 2g0s h ASP 60 N 0.79 0.87 -0.63 1.04 3.32 -1.97 -1.67 116.42 118.16 2g0s h ASP 60 Ca 0.07 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 2g0s h ASP 60 Cb 0.94 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2g0s h ASP 60 CO 0.09 0.85 0.04 0.25 -1.72 0.00 0.00 179.24 178.75 2g0s h LEU 61 N 0.88 1.06 -0.48 1.55 5.85 -1.88 -0.94 115.31 121.35 2g0s h LEU 61 Ca 0.19 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2g0s h LEU 61 Cb 0.34 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2g0s h LEU 61 CO 0.00 1.09 0.17 0.50 -0.34 0.00 0.00 178.44 179.86 2g0s h LYS 62 N 1.00 0.74 -0.48 1.25 3.64 -1.12 -0.33 116.57 121.27 2g0s h LYS 62 Ca 0.18 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2g0s h LYS 62 Cb 0.52 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2g0s h LYS 62 CO 0.02 0.68 -0.00 0.87 -2.27 0.00 0.00 179.45 178.75 2g0s h LYS 63 N 0.64 0.79 -0.52 1.90 1.57 -1.14 -2.26 116.57 117.54 2g0s h LYS 63 Ca 0.16 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2g0s h LYS 63 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2g0s h LYS 63 CO -0.01 0.80 0.15 1.25 -0.57 0.00 0.00 179.45 181.07 2g0s h HIS 64 N 0.74 0.85 -1.00 -1.35 2.76 -0.86 -2.13 115.15 114.16 2g0s h HIS 64 Ca 0.14 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2g0s h HIS 64 Cb 0.45 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.12 2g0s h HIS 64 CO 0.02 0.73 0.66 0.78 -1.30 0.00 0.00 177.93 178.83 2g0s h GLY 65 N 0.72 1.42 1.04 5.26 0.00 -0.66 -0.90 103.07 109.94 2g0s h GLY 65 Ca 0.17 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 2g0s h GLY 65 CO -0.00 0.49 0.08 -2.08 0.00 0.00 0.00 176.54 175.02 2g0s h VAL 66 N 1.33 1.26 -0.51 4.60 2.07 -1.17 -1.14 116.25 122.68 2g0s h VAL 66 Ca 0.37 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2g0s h VAL 66 Cb -0.12 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2g0s h VAL 66 CO -0.09 0.38 0.26 0.74 0.02 0.00 0.00 177.57 178.87 2g0s h THR 67 N 0.90 1.19 0.01 2.57 2.02 -0.71 -1.14 112.91 117.74 2g0s h THR 67 Ca 0.18 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2g0s h THR 67 Cb 0.45 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2g0s h THR 67 CO 0.02 0.21 -0.00 0.58 0.37 0.00 0.00 175.52 176.69 2g0s h VAL 68 N 0.68 1.23 -0.04 3.16 2.07 -1.02 -2.31 116.25 120.03 2g0s h VAL 68 Ca 0.18 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2g0s h VAL 68 Cb 0.10 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2g0s h VAL 68 CO -0.02 0.18 -0.24 -0.07 0.02 0.00 0.00 177.57 177.44 2g0s h LEU 69 N -0.32 0.06 -0.40 2.57 3.38 -1.18 -0.71 115.31 118.71 2g0s h LEU 69 Ca -0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2g0s h LEU 69 Cb 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2g0s h LEU 69 CO 0.00 0.30 -0.10 0.74 0.09 0.00 0.00 178.44 179.47 2g0s h THR 70 N 0.06 1.28 -0.60 0.22 2.02 -1.14 0.11 112.91 114.85 2g0s h THR 70 Ca 0.01 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 65.90 2g0s h THR 70 Cb 0.45 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2g0s h THR 70 CO 0.03 0.40 0.03 0.00 0.37 0.00 0.00 175.52 176.36 2g0s h ALA 71 N 0.84 0.80 -0.50 6.16 0.00 -0.91 -1.83 119.26 123.83 2g0s h ALA 71 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2g0s h ALA 71 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2g0s h ALA 71 CO 0.04 0.61 -0.13 1.25 0.00 0.00 0.00 179.25 181.02 2g0s h LEU 72 N 0.93 0.97 -0.86 0.00 5.85 -0.97 -2.66 115.31 118.58 2g0s h LEU 72 Ca 0.17 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2g0s h LEU 72 Cb 0.51 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2g0s h LEU 72 CO 0.02 1.11 0.53 1.23 -0.34 0.00 0.00 178.44 181.00 2g0s h GLY 73 N 0.82 1.23 1.17 3.75 0.00 -0.59 -0.74 103.07 108.71 2g0s h GLY 73 Ca 0.12 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2g0s h GLY 73 CO 0.05 0.49 0.44 0.00 0.00 0.00 0.00 176.54 177.52 2g0s h ALA 74 N 1.29 1.29 -0.12 3.60 0.00 -1.14 -0.83 119.26 123.34 2g0s h ALA 74 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2g0s h ALA 74 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2g0s h ALA 74 CO -0.06 0.58 -0.06 0.82 0.00 0.00 0.00 179.25 180.53 2g0s h ILE 75 N 1.10 1.32 -0.86 0.00 2.04 -1.07 -3.10 117.51 116.95 2g0s h ILE 75 Ca 0.28 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2g0s h ILE 75 Cb 0.01 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2g0s h ILE 75 CO -0.05 0.32 0.55 -0.07 0.00 0.00 0.00 178.15 178.90 2g0s h LEU 76 N -0.10 1.00 -1.09 1.44 3.38 -0.85 -1.63 115.31 117.46 2g0s h LEU 76 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2g0s h LEU 76 Cb 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2g0s h LEU 76 CO 0.02 0.74 0.00 0.11 0.09 0.00 0.00 178.44 179.40 2g0s h LYS 77 N 1.17 0.00 0.00 1.13 1.57 -1.12 -1.26 116.57 118.06 2g0s h LYS 77 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2g0s h LYS 77 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2g0s h LYS 77 CO -0.06 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.45 2g0s n LYS 78 N -2.37 0.12 -3.87 3.15 4.76 -0.61 -4.94 118.16 114.39 2g0s n LYS 78 Ca 0.01 0.10 -0.25 0.00 -2.87 0.00 0.00 58.31 55.30 2g0s n LYS 78 Cb 0.17 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 2g0s n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2g0s n LYS 79 N -1.84 -3.99 0.00 1.97 5.02 -0.48 -2.11 118.16 116.73 2g0s n LYS 79 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2g0s n LYS 79 Cb 0.37 -4.84 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 2g0s n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2g0s n GLY 80 N -1.80 3.30 2.63 0.72 0.00 -1.26 -4.95 105.19 103.83 2g0s n GLY 80 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2g0s n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2g0s n HIS 81 N -1.24 2.65 -0.87 1.61 8.25 -0.90 -4.66 115.22 120.07 2g0s n HIS 81 Ca 0.00 -2.72 0.08 0.00 -0.26 0.00 0.00 57.72 54.82 2g0s n HIS 81 Cb 0.00 -1.63 0.23 0.00 1.12 0.00 0.00 29.99 29.71 2g0s n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2g0s n HIS 82 N 1.55 0.80 -0.20 4.41 1.44 -1.26 -4.78 115.22 117.18 2g0s n HIS 82 Ca 0.52 -0.83 -0.00 0.00 -2.01 0.00 0.00 57.72 55.39 2g0s n HIS 82 Cb 0.28 -0.26 0.08 0.00 0.12 0.00 0.00 29.99 30.20 2g0s n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2g0s h GLU 83 N 1.68 0.06 -0.55 -1.40 4.57 -2.00 -0.85 114.58 116.09 2g0s h GLU 83 Ca 0.00 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2g0s h GLU 83 Cb 1.30 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 2g0s h GLU 83 CO 0.17 0.04 0.10 0.00 -1.18 0.00 0.00 179.01 178.14 2g0s h ALA 84 N 1.57 0.73 -0.27 2.92 0.00 -2.01 -2.77 119.26 119.42 2g0s h ALA 84 Ca 0.30 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2g0s h ALA 84 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2g0s h ALA 84 CO -0.56 0.46 -0.19 0.93 0.00 0.00 0.00 179.25 179.90 2g0s h GLU 85 N 0.79 0.49 -0.01 0.00 3.07 -1.78 -3.15 114.58 113.99 2g0s h GLU 85 Ca 0.17 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 2g0s h GLU 85 Cb 0.40 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2g0s h GLU 85 CO 0.01 0.66 -0.62 -0.07 -1.40 0.00 0.00 179.01 177.59 2g0s h LEU 86 N 0.44 0.06 0.14 1.33 4.07 -0.99 -3.34 115.31 117.02 2g0s h LEU 86 Ca 0.07 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.01 2g0s h LEU 86 Cb 0.58 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 2g0s h LEU 86 CO 0.04 0.66 -0.53 0.11 -1.08 0.00 0.00 178.44 177.64 2g0s h LYS 87 N 0.04 -0.75 -0.08 1.13 1.57 -1.45 0.92 116.57 117.96 2g0s h LYS 87 Ca -0.01 0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2g0s h LYS 87 Cb 1.10 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2g0s h LYS 87 CO 0.08 -0.50 -0.29 -1.00 -0.57 0.00 0.00 179.45 177.18 2g0s h PRO 88 N -0.77 0.14 -0.31 3.15 0.13 -1.75 -1.83 132.00 130.74 2g0s h PRO 88 Ca -0.01 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 2g0s h PRO 88 Cb 0.77 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2g0s h PRO 88 CO -0.28 0.42 -0.13 1.25 -0.23 0.00 0.00 178.00 179.03 2g0s h LEU 89 N 0.12 0.65 -0.62 1.56 5.85 -1.62 -2.02 115.31 119.24 2g0s h LEU 89 Ca 0.02 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 2g0s h LEU 89 Cb 0.58 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2g0s h LEU 89 CO 0.04 0.90 0.15 0.00 -0.34 0.00 0.00 178.44 179.19 2g0s h ALA 90 N 0.77 0.81 -0.18 1.25 0.00 -0.64 -2.19 119.26 119.09 2g0s h ALA 90 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2g0s h ALA 90 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2g0s h ALA 90 CO 0.04 0.53 0.03 0.37 0.00 0.00 0.00 179.25 180.22 2g0s h GLN 91 N 0.91 0.29 -0.60 0.00 4.15 -1.23 -1.60 115.11 117.03 2g0s h GLN 91 Ca 0.19 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 2g0s h GLN 91 Cb 0.36 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2g0s h GLN 91 CO 0.00 0.46 0.05 0.66 -1.93 0.00 0.00 178.83 178.07 2g0s h SER 92 N 0.08 0.96 1.38 -0.69 4.64 -1.35 -0.16 113.55 118.41 2g0s h SER 92 Ca 0.05 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 2g0s h SER 92 Cb 0.31 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2g0s h SER 92 CO 0.00 0.98 -0.33 0.45 -0.87 0.00 0.00 176.83 177.06 2g0s h HIS 93 N 0.93 0.00 0.08 4.77 3.86 -1.37 0.61 115.15 124.03 2g0s h HIS 93 Ca 0.18 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.09 2g0s h HIS 93 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2g0s h HIS 93 CO 0.03 0.33 -1.63 0.00 0.86 0.00 0.00 177.93 177.52 2g0s h ALA 94 N 1.67 0.32 0.11 2.45 0.00 -1.19 0.38 119.26 123.00 2g0s h ALA 94 Ca -0.00 -1.27 -0.35 0.00 0.00 0.00 0.00 54.91 53.28 2g0s h ALA 94 Cb 1.11 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2g0s h ALA 94 CO 0.04 1.01 -1.94 2.41 0.00 0.00 0.00 179.25 180.78 2g0s n THR 95 N -3.90 1.75 -0.09 0.00 -1.04 -0.08 -3.84 114.28 107.08 2g0s n THR 95 Ca -0.31 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.05 61.00 2g0s n THR 95 Cb 0.89 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.59 2g0s n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2g0s n LYS 96 N -3.59 0.50 0.09 -2.82 4.81 -0.52 -4.61 118.16 112.02 2g0s n LYS 96 Ca -0.33 0.50 -0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2g0s n LYS 96 Cb 1.00 -1.68 -0.04 0.00 0.02 0.00 0.00 35.03 34.34 2g0s n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2g0s h HIS 97 N -1.00 0.00 -5.51 5.64 3.86 -1.10 -3.49 115.15 113.54 2g0s h HIS 97 Ca -0.16 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.92 2g0s h HIS 97 Cb 0.89 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.42 2g0s h HIS 97 CO -0.12 0.62 -0.36 1.63 0.86 0.00 0.00 177.93 180.56 2g0s n LYS 98 N -3.13 -1.59 -3.61 2.45 4.01 -0.23 -4.99 118.16 111.06 2g0s n LYS 98 Ca -0.03 1.22 -0.40 0.00 -0.51 0.00 0.00 58.31 58.60 2g0s n LYS 98 Cb 0.81 -5.51 -0.11 0.00 -0.51 0.00 0.00 35.03 29.70 2g0s n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2g0s s ILE 99 N -3.14 4.73 0.59 -0.18 -1.09 0.12 -5.00 121.20 117.23 2g0s s ILE 99 Ca 0.16 -0.52 -0.19 0.00 -2.23 0.00 0.00 60.65 57.87 2g0s s ILE 99 Cb -0.03 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 2g0s s ILE 99 CO 0.76 -0.04 1.21 -2.84 -1.23 0.00 0.00 174.94 172.80 2g0s s PRO 100 N 1.62 3.00 0.49 2.79 0.02 -1.26 -4.81 135.00 136.84 2g0s s PRO 100 Ca 0.04 1.83 0.22 0.00 0.02 0.00 0.00 61.00 63.11 2g0s s PRO 100 Cb -0.18 -1.95 1.26 0.00 0.02 0.00 0.00 34.50 33.66 2g0s s PRO 100 CO 0.07 -1.19 1.97 0.82 -0.33 0.00 0.00 177.00 178.34 2g0s h ILE 101 N 0.92 0.76 -0.98 2.83 1.08 -1.74 0.16 117.51 120.54 2g0s h ILE 101 Ca -0.50 -0.06 0.07 0.00 -0.39 0.00 0.00 64.86 63.98 2g0s h ILE 101 Cb 1.30 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 35.56 2g0s h ILE 101 CO 0.55 0.03 0.64 0.50 -0.69 0.00 0.00 178.15 179.18 2g0s h LYS 102 N 0.16 1.09 0.00 2.37 3.64 -1.90 -1.24 116.57 120.69 2g0s h LYS 102 Ca 0.30 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 2g0s h LYS 102 Cb 0.95 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2g0s h LYS 102 CO -0.05 0.72 -0.45 1.88 -2.27 0.00 0.00 179.45 179.28 2g0s h TYR 103 N 1.12 0.00 0.00 1.91 -1.99 -1.31 -2.15 116.97 114.55 2g0s h TYR 103 Ca 0.43 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.04 2g0s h TYR 103 Cb 0.22 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 2g0s h TYR 103 CO -0.00 0.45 -0.58 -0.07 -0.00 0.00 0.00 178.16 177.96 2g0s h LEU 104 N 0.00 0.00 -0.37 3.88 3.38 -1.17 -2.08 115.31 118.95 2g0s h LEU 104 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2g0s h LEU 104 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2g0s h LEU 104 CO 0.06 0.58 -0.28 -0.33 0.09 0.00 0.00 178.44 178.56 2g0s h GLU 105 N 0.00 0.85 -0.65 1.13 5.08 -0.90 -2.15 114.58 117.93 2g0s h GLU 105 Ca -0.01 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2g0s h GLU 105 Cb 1.04 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 2g0s h GLU 105 CO 0.08 1.05 0.39 0.74 -1.00 0.00 0.00 179.01 180.27 2g0s h PHE 106 N 0.64 0.86 0.00 4.33 0.04 -1.05 -1.47 116.94 120.29 2g0s h PHE 106 Ca 0.07 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 2g0s h PHE 106 Cb 0.86 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 2g0s h PHE 106 CO 0.06 0.58 -0.44 0.97 -0.60 0.00 0.00 178.31 178.89 2g0s h ILE 107 N 0.89 1.02 -0.62 -0.55 2.10 -1.35 -1.94 117.51 117.05 2g0s h ILE 107 Ca 0.23 -1.70 -0.09 0.00 1.08 0.00 0.00 64.86 64.38 2g0s h ILE 107 Cb -0.03 2.00 -0.02 0.00 -1.09 0.00 0.00 36.82 37.68 2g0s h ILE 107 CO -0.04 0.43 0.02 0.28 -1.08 0.00 0.00 178.15 177.76 2g0s h SER 108 N 0.00 1.05 -0.63 2.19 0.02 -0.84 -0.55 113.55 114.80 2g0s h SER 108 Ca -0.00 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 2g0s h SER 108 Cb 0.97 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 2g0s h SER 108 CO 0.06 1.09 0.20 -0.08 -1.14 0.00 0.00 176.83 176.96 2g0s h GLU 109 N 0.99 0.97 -0.76 3.45 4.81 -0.94 -1.92 114.58 121.18 2g0s h GLU 109 Ca 0.18 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2g0s h GLU 109 Cb 0.53 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2g0s h GLU 109 CO 0.03 0.86 0.28 0.00 -0.73 0.00 0.00 179.01 179.44 2g0s h ALA 110 N 1.07 1.06 -0.37 2.92 0.00 -0.91 -0.92 119.26 122.11 2g0s h ALA 110 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2g0s h ALA 110 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2g0s h ALA 110 CO -0.01 0.66 0.08 0.82 0.00 0.00 0.00 179.25 180.80 2g0s h ILE 111 N 1.12 1.23 -0.71 0.00 2.04 -0.82 -1.79 117.51 118.57 2g0s h ILE 111 Ca 0.25 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2g0s h ILE 111 Cb 0.24 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2g0s h ILE 111 CO -0.02 0.27 0.31 0.40 0.00 0.00 0.00 178.15 179.11 2g0s h ILE 112 N 0.44 1.24 -0.34 -0.67 2.04 -1.14 -1.33 117.51 117.75 2g0s h ILE 112 Ca 0.11 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2g0s h ILE 112 Cb 0.32 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2g0s h ILE 112 CO 0.00 0.29 0.21 -0.74 0.00 0.00 0.00 178.15 177.91 2g0s h HIS 113 N 0.99 0.45 -0.47 1.37 2.76 -0.98 -0.79 115.15 118.49 2g0s h HIS 113 Ca 0.24 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 2g0s h HIS 113 Cb 0.16 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 2g0s h HIS 113 CO 0.01 0.33 -0.05 0.28 -1.30 0.00 0.00 177.93 177.20 2g0s h VAL 114 N 0.44 1.27 -0.49 5.26 2.07 -1.15 -1.67 116.25 121.98 2g0s h VAL 114 Ca 0.12 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 2g0s h VAL 114 Cb 0.01 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2g0s h VAL 114 CO -0.02 0.40 -0.01 -0.07 0.02 0.00 0.00 177.57 177.89 2g0s h LEU 115 N 0.72 0.80 -0.71 2.57 3.38 -1.10 0.13 115.31 121.10 2g0s h LEU 115 Ca 0.13 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2g0s h LEU 115 Cb 0.58 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2g0s h LEU 115 CO 0.03 0.87 0.28 -0.74 0.09 0.00 0.00 178.44 178.98 2g0s h HIS 116 N 0.77 1.08 -0.12 1.13 2.76 -0.96 0.13 115.15 119.94 2g0s h HIS 116 Ca 0.15 -0.08 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 2g0s h HIS 116 Cb 0.48 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.12 2g0s h HIS 116 CO 0.03 0.83 -0.36 0.77 -1.30 0.00 0.00 177.93 177.90 2g0s h SER 117 N 1.01 0.53 0.86 3.26 0.02 -0.93 -3.25 113.55 115.06 2g0s h SER 117 Ca 0.24 -0.60 -0.23 0.00 -0.84 0.00 0.00 61.79 60.36 2g0s h SER 117 Cb 0.21 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2g0s h SER 117 CO -0.02 1.03 -1.17 0.03 -1.14 0.00 0.00 176.83 175.57 2g0s h ARG 118 N 0.05 0.02 -1.54 3.45 3.08 -0.96 -3.40 114.38 115.09 2g0s h ARG 118 Ca -0.01 -0.04 -0.50 0.00 0.07 0.00 0.00 59.98 59.50 2g0s h ARG 118 Cb 0.98 0.02 -0.41 0.00 0.08 0.00 0.00 29.97 30.64 2g0s h ARG 118 CO 0.08 0.92 -0.94 0.72 -1.07 0.00 0.00 179.97 179.68 2g0s n HIS 119 N -3.31 2.28 -0.23 3.04 8.25 0.44 -4.93 115.22 120.76 2g0s n HIS 119 Ca -0.04 -3.25 0.13 0.00 -0.26 0.00 0.00 57.72 54.29 2g0s n HIS 119 Cb 0.97 -0.30 0.42 0.00 1.12 0.00 0.00 29.99 32.20 2g0s n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2g0s h PRO 120 N 2.85 0.59 0.00 -0.41 0.13 -1.71 0.97 132.00 134.42 2g0s h PRO 120 Ca 0.11 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2g0s h PRO 120 Cb 0.95 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2g0s h PRO 120 CO 0.68 0.39 -0.25 0.78 -0.23 0.00 0.00 178.00 179.37 2g0s h GLY 121 N 0.61 0.00 -0.84 1.56 0.00 -1.91 -2.95 103.07 99.53 2g0s h GLY 121 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2g0s h GLY 121 CO -0.17 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.07 2g0s n ASN 122 N -3.56 2.85 -2.98 0.19 3.02 -0.44 -4.67 115.26 109.67 2g0s n ASN 122 Ca -0.01 -2.45 -0.16 0.00 -0.03 0.00 0.00 54.58 51.94 2g0s n ASN 122 Cb 0.39 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 2g0s n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2g0s n PHE 123 N -0.32 0.87 -1.08 3.10 7.35 0.21 -4.67 117.46 122.92 2g0s n PHE 123 Ca 0.12 -3.49 -0.06 0.00 -0.76 0.00 0.00 57.45 53.26 2g0s n PHE 123 Cb 0.54 -0.40 0.04 0.00 0.35 0.00 0.00 39.48 40.01 2g0s n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2g0s n GLY 124 N 0.11 -1.43 0.15 7.13 0.00 -1.25 -4.62 105.19 105.28 2g0s n GLY 124 Ca 0.21 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 2g0s n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g0s h ALA 125 N -1.99 0.28 -0.59 4.61 0.00 -1.99 -0.25 119.26 119.33 2g0s h ALA 125 Ca -0.08 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2g0s h ALA 125 Cb 0.24 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2g0s h ALA 125 CO 0.06 -0.43 0.28 -0.44 0.00 0.00 0.00 179.25 178.72 2g0s h ASP 126 N 0.05 0.78 -0.54 0.00 3.32 -1.99 -0.88 116.42 117.15 2g0s h ASP 126 Ca 0.17 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2g0s h ASP 126 Cb 0.24 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2g0s h ASP 126 CO -0.31 0.70 0.06 0.00 -1.72 0.00 0.00 179.24 177.96 2g0s h ALA 127 N 1.11 1.01 -0.45 3.45 0.00 -1.81 -1.52 119.26 121.05 2g0s h ALA 127 Ca 0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2g0s h ALA 127 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2g0s h ALA 127 CO -0.02 0.62 -0.19 0.37 0.00 0.00 0.00 179.25 180.02 2g0s h GLN 128 N 0.90 0.89 -0.71 0.00 4.15 -0.79 -1.04 115.11 118.51 2g0s h GLN 128 Ca 0.18 -0.36 -0.05 0.00 0.77 0.00 0.00 58.65 59.19 2g0s h GLN 128 Cb 0.44 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2g0s h GLN 128 CO 0.02 1.01 0.25 0.78 -1.93 0.00 0.00 178.83 178.95 2g0s h GLY 129 N 0.93 1.15 0.95 2.39 0.00 -0.88 0.54 103.07 108.15 2g0s h GLY 129 Ca 0.11 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 2g0s h GLY 129 CO 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 176.54 177.18 2g0s h ALA 130 N 1.23 0.52 -0.57 3.60 0.00 -0.96 -1.36 119.26 121.71 2g0s h ALA 130 Ca 0.23 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2g0s h ALA 130 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2g0s h ALA 130 CO -0.01 0.32 0.14 1.98 0.00 0.00 0.00 179.25 181.68 2g0s h MET 131 N 0.52 0.92 -0.72 0.00 -1.53 -0.91 -0.73 114.93 112.47 2g0s h MET 131 Ca 0.11 -0.22 -0.02 0.00 -3.44 0.00 0.00 59.70 56.13 2g0s h MET 131 Cb 0.51 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.41 2g0s h MET 131 CO 0.03 0.85 0.38 -0.97 0.14 0.00 0.00 176.91 177.33 2g0s h ASN 132 N 0.82 0.92 -0.73 1.39 -1.24 -0.80 -0.73 115.58 115.21 2g0s h ASN 132 Ca 0.18 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 2g0s h ASN 132 Cb 0.35 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 2g0s h ASN 132 CO 0.00 0.77 0.29 0.50 -1.29 0.00 0.00 177.43 177.70 2g0s h LYS 133 N 1.00 1.10 -0.54 6.67 3.64 -0.93 0.12 116.57 127.62 2g0s h LYS 133 Ca 0.25 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2g0s h LYS 133 Cb 0.07 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2g0s h LYS 133 CO -0.04 0.90 0.01 0.00 -2.27 0.00 0.00 179.45 178.05 2g0s h ALA 134 N 1.14 0.98 -0.01 5.00 0.00 -0.70 -1.20 119.26 124.48 2g0s h ALA 134 Ca 0.24 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2g0s h ALA 134 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2g0s h ALA 134 CO -0.02 0.62 -0.76 -0.07 0.00 0.00 0.00 179.25 179.02 2g0s h LEU 135 N 0.85 0.13 -0.56 0.00 3.38 -0.79 -1.98 115.31 116.35 2g0s h LEU 135 Ca 0.16 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2g0s h LEU 135 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2g0s h LEU 135 CO 0.02 0.84 -0.24 -0.33 0.09 0.00 0.00 178.44 178.83 2g0s h GLU 136 N 0.07 0.90 -0.31 1.13 5.08 -0.49 -0.31 114.58 120.65 2g0s h GLU 136 Ca -0.02 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2g0s h GLU 136 Cb 1.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2g0s h GLU 136 CO 0.11 1.04 0.15 1.25 -1.00 0.00 0.00 179.01 180.55 2g0s h LEU 137 N 0.78 0.40 -0.06 1.33 5.85 -1.12 0.11 115.31 122.60 2g0s h LEU 137 Ca 0.10 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2g0s h LEU 137 Cb 0.79 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2g0s h LEU 137 CO 0.07 0.42 -0.09 0.15 -0.34 0.00 0.00 178.44 178.64 2g0s h PHE 138 N 0.36 -0.22 -0.45 1.25 3.57 -1.14 -0.85 116.94 119.45 2g0s h PHE 138 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2g0s h PHE 138 Cb 0.12 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2g0s h PHE 138 CO -0.02 -0.14 0.08 0.00 -2.23 0.00 0.00 178.31 176.01 2g0s h ARG 139 N -0.13 0.69 -0.21 1.11 3.08 -0.84 -1.01 114.38 117.07 2g0s h ARG 139 Ca 0.06 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2g0s h ARG 139 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2g0s h ARG 139 CO -0.14 0.65 0.01 -0.22 -1.07 0.00 0.00 179.97 179.20 2g0s h LYS 140 N 0.67 0.36 -0.13 0.04 3.64 -0.38 -0.60 116.57 120.16 2g0s h LYS 140 Ca 0.15 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2g0s h LYS 140 Cb 0.29 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2g0s h LYS 140 CO 0.00 0.55 -0.44 -0.44 -2.27 0.00 0.00 179.45 176.85 2g0s h ASP 141 N 0.13 0.33 -0.43 4.20 3.32 -1.02 -1.99 116.42 120.96 2g0s h ASP 141 Ca 0.06 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 2g0s h ASP 141 Cb 0.38 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2g0s h ASP 141 CO 0.01 0.74 -0.23 0.40 -1.72 0.00 0.00 179.24 178.43 2g0s h ILE 142 N 0.26 1.27 -0.78 0.35 1.08 -1.11 -2.26 117.51 116.32 2g0s h ILE 142 Ca 0.02 -1.39 -0.01 0.00 -0.39 0.00 0.00 64.86 63.09 2g0s h ILE 142 Cb 0.88 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 2g0s h ILE 142 CO 0.07 0.47 0.44 0.00 -0.69 0.00 0.00 178.15 178.44 2g0s h ALA 143 N 0.83 1.00 -0.82 1.87 0.00 -0.88 0.47 119.26 121.73 2g0s h ALA 143 Ca 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2g0s h ALA 143 Cb 0.81 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2g0s h ALA 143 CO 0.07 0.51 0.35 0.00 0.00 0.00 0.00 179.25 180.17 2g0s h ALA 144 N 1.23 1.06 -0.50 0.00 0.00 -1.24 -2.20 119.26 117.60 2g0s h ALA 144 Ca 0.28 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2g0s h ALA 144 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2g0s h ALA 144 CO -0.05 0.67 -0.18 0.87 0.00 0.00 0.00 179.25 180.57 2g0s h LYS 145 N 1.19 1.00 -0.45 0.00 1.79 -0.85 -2.65 116.57 116.60 2g0s h LYS 145 Ca 0.28 -0.41 0.09 0.00 -2.18 0.00 0.00 60.65 58.43 2g0s h LYS 145 Cb 0.19 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.71 2g0s h LYS 145 CO -0.03 1.09 -0.07 1.88 -1.08 0.00 0.00 179.45 181.24 2g0s h TYR 146 N 0.87 -0.17 -0.35 -1.35 -1.99 -0.42 -0.04 116.97 113.52 2g0s h TYR 146 Ca 0.12 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.90 2g0s h TYR 146 Cb 0.75 0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 2g0s h TYR 146 CO 0.05 -0.16 0.21 0.87 -0.00 0.00 0.00 178.16 179.12 2g0s h LYS 147 N 0.03 0.41 -0.21 4.88 1.57 -1.23 -0.35 116.57 121.67 2g0s h LYS 147 Ca 0.22 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2g0s h LYS 147 Cb 0.33 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2g0s h LYS 147 CO -0.43 0.27 0.07 0.93 -0.57 0.00 0.00 179.45 179.72 2g0s h GLU 148 N 0.42 0.29 -0.00 3.15 5.08 -1.00 -1.81 114.58 120.70 2g0s h GLU 148 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2g0s h GLU 148 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2g0s h GLU 148 CO -0.07 0.26 -0.13 1.28 -1.00 0.00 0.00 179.01 179.35 2g0s n LEU 149 N -4.44 0.20 0.00 1.33 4.77 -0.10 -4.93 117.00 113.83 2g0s n LEU 149 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2g0s n LEU 149 Cb 0.13 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2g0s n LEU 149 CO 0.36 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2g0s n GLY 150 N 1.44 0.85 3.27 -0.72 0.00 -0.67 -5.04 105.19 104.33 2g0s n GLY 150 Ca 0.09 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2g0s n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2g0s s TYR 151 N -2.00 2.90 0.00 1.61 5.04 -0.23 -5.00 117.35 119.68 2g0s s TYR 151 Ca 0.00 -1.08 -0.14 0.00 -2.44 0.00 0.00 57.07 53.42 2g0s s TYR 151 Cb 0.00 -2.04 -0.34 0.00 0.35 0.00 0.00 41.96 39.93 2g0s s TYR 151 CO 0.00 -0.58 0.88 0.37 -1.34 0.00 0.00 175.55 174.88 2g0s h GLN 152 N 7.95 0.48 0.00 4.97 4.15 -1.94 -3.23 115.11 127.49 2g0s h GLN 152 Ca -0.41 -0.82 0.00 0.00 0.77 0.00 0.00 58.65 58.18 2g0s h GLN 152 Cb 1.16 0.31 0.00 0.00 0.21 0.00 0.00 27.48 29.16 2g0s h GLN 152 CO 0.61 1.39 0.00 0.41 -1.93 0.00 0.00 178.83 179.31