#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1x s ILE 2 N 0.00 5.33 0.55 0.52 1.09 -1.26 -5.07 121.20 122.36 1g1x s ILE 2 Ca 0.00 0.21 -0.07 0.00 -1.10 0.00 0.00 60.65 59.69 1g1x s ILE 2 Cb 0.00 -3.53 -0.02 0.00 -1.06 0.00 0.00 42.46 37.85 1g1x s ILE 2 CO 0.00 0.30 0.87 0.42 -0.10 0.00 0.00 174.94 176.44 1g1x s THR 3 N 1.34 4.43 0.47 2.92 -4.23 -1.26 -4.98 115.64 114.33 1g1x s THR 3 Ca 0.08 0.25 0.18 0.00 -1.18 0.00 0.00 61.69 61.02 1g1x s THR 3 Cb -0.14 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.20 1g1x s THR 3 CO 0.07 -0.77 2.05 0.07 -0.54 0.00 0.00 174.62 175.50 1g1x h LYS 4 N -0.02 0.00 0.15 3.99 -0.00 -1.98 -1.41 116.57 117.29 1g1x h LYS 4 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.18 1g1x h LYS 4 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1g1x h LYS 4 CO 0.61 0.13 -0.07 1.05 -0.00 0.00 0.00 179.45 181.17 1g1x h GLU 5 N 0.00 -0.19 0.00 0.07 9.09 -2.00 -2.63 114.58 118.92 1g1x h GLU 5 Ca -0.00 0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.42 1g1x h GLU 5 Cb 0.25 0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1g1x h GLU 5 CO 0.02 0.20 -0.00 1.05 0.05 0.00 0.00 179.01 180.32 1g1x h GLU 6 N -0.94 0.00 -0.07 1.06 4.11 -1.94 -2.17 114.58 114.64 1g1x h GLU 6 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 1g1x h GLU 6 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1g1x h GLU 6 CO 0.03 0.00 -0.35 -0.22 0.07 0.00 0.00 179.01 178.55 1g1x h LYS 7 N 0.00 0.35 0.00 1.06 3.64 -1.22 -3.05 116.57 117.35 1g1x h LYS 7 Ca -0.00 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1g1x h LYS 7 Cb 0.02 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1g1x h LYS 7 CO 0.00 0.93 -0.09 -0.56 -2.27 0.00 0.00 179.45 177.47 1g1x h GLN 8 N -0.14 0.00 -0.73 1.90 3.07 -1.03 -0.68 115.11 117.50 1g1x h GLN 8 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 1g1x h GLN 8 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.53 1g1x h GLN 8 CO 0.07 0.09 0.27 -0.22 0.09 0.00 0.00 178.83 179.13 1g1x h LYS 9 N 0.00 1.10 0.00 0.06 3.11 -1.32 0.40 116.57 119.92 1g1x h LYS 9 Ca -0.00 -0.20 -0.20 0.00 -2.81 0.00 0.00 60.65 57.44 1g1x h LYS 9 Cb 0.58 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 1g1x h LYS 9 CO 0.01 0.90 -0.89 0.28 -2.81 0.00 0.00 179.45 176.95 1g1x h VAL 10 N 1.07 1.49 -0.39 2.00 2.07 -1.07 -3.10 116.25 118.32 1g1x h VAL 10 Ca 0.24 -2.62 -0.09 0.00 0.82 0.00 0.00 66.70 65.05 1g1x h VAL 10 Cb 0.23 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1g1x h VAL 10 CO -0.02 0.76 -0.10 0.40 0.02 0.00 0.00 177.57 178.63 1g1x h ILE 11 N 0.12 1.28 -0.15 4.57 2.04 -0.56 -2.93 117.51 121.87 1g1x h ILE 11 Ca -0.05 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.54 1g1x h ILE 11 Cb 1.52 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1g1x h ILE 11 CO 0.14 0.40 -0.28 1.56 0.00 0.00 0.00 178.15 179.97 1g1x h GLN 12 N 0.57 0.27 -0.37 2.37 4.20 -1.00 0.17 115.11 121.33 1g1x h GLN 12 Ca 0.10 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1g1x h GLN 12 Cb 0.63 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1g1x h GLN 12 CO 0.04 0.54 0.14 1.49 -0.67 0.00 0.00 178.83 180.37 1g1x h GLU 13 N 0.24 0.56 -0.00 1.46 4.57 -1.45 -3.28 114.58 116.69 1g1x h GLU 13 Ca 0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1g1x h GLU 13 Cb 0.63 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1g1x h GLU 13 CO 0.05 0.55 -0.90 1.19 -1.18 0.00 0.00 179.01 178.72 1g1x n PHE 14 N -4.66 0.00 -1.55 0.92 3.01 -1.11 -4.98 117.46 109.09 1g1x n PHE 14 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 1g1x n PHE 14 Cb 0.15 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.59 1g1x n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1g1x n ALA 15 N -1.43 -0.54 0.52 4.37 0.00 0.58 -4.38 120.51 119.64 1g1x n ALA 15 Ca 0.05 0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1g1x n ALA 15 Cb 0.34 -1.96 0.33 0.00 0.00 0.00 0.00 19.45 18.16 1g1x n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g1x h ARG 16 N 1.29 0.00 -2.23 0.00 3.08 -1.89 -3.47 114.38 111.15 1g1x h ARG 16 Ca -0.42 0.00 0.21 0.00 0.07 0.00 0.00 59.98 59.84 1g1x h ARG 16 Cb 1.36 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.34 1g1x h ARG 16 CO 0.55 0.00 0.62 -0.59 -1.07 0.00 0.00 179.97 179.48 1g1x s PHE 17 N -3.13 -0.02 -0.16 3.04 -0.12 -1.26 -5.07 117.98 111.25 1g1x s PHE 17 Ca 0.09 -0.27 -0.29 0.00 -0.05 0.00 0.00 56.93 56.41 1g1x s PHE 17 Cb 0.11 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 43.12 1g1x s PHE 17 CO 0.62 -0.72 1.22 -2.14 -0.05 0.00 0.00 175.22 174.15 1g1x s PRO 18 N -2.61 4.25 0.00 1.99 0.02 -1.26 -2.73 135.00 134.66 1g1x s PRO 18 Ca 0.18 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1g1x s PRO 18 Cb -0.01 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.79 1g1x s PRO 18 CO 0.02 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 1g1x n GLY 19 N 3.54 0.89 3.68 0.52 0.00 -1.26 -5.07 105.19 107.49 1g1x n GLY 19 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1g1x n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g1x s ASP 20 N -1.32 7.06 0.00 1.61 2.15 -1.10 -4.86 116.67 120.20 1g1x s ASP 20 Ca 0.00 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1g1x s ASP 20 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1g1x s ASP 20 CO 0.00 -0.38 0.00 0.35 -0.17 0.00 0.00 175.17 174.97 1g1x n THR 21 N 4.55 0.00 -1.36 1.71 -2.24 -1.26 -4.71 114.28 110.98 1g1x n THR 21 Ca 0.05 -0.12 0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1g1x n THR 21 Cb 0.49 0.92 0.06 0.00 -2.10 0.00 0.00 70.33 69.70 1g1x n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g1x n GLY 22 N 0.31 2.25 3.78 3.38 0.00 -1.26 -4.71 105.19 108.94 1g1x n GLY 22 Ca 0.00 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1g1x n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g1x s SER 23 N -1.70 6.31 0.28 1.61 1.04 -1.26 -4.66 113.70 115.31 1g1x s SER 23 Ca 0.13 2.17 0.01 0.00 0.48 0.00 0.00 55.95 58.74 1g1x s SER 23 Cb 0.12 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 64.31 1g1x s SER 23 CO 0.01 -0.81 1.41 0.41 0.98 0.00 0.00 173.24 175.24 1g1x n THR 24 N -0.51 -0.38 0.12 2.02 -1.04 -1.26 -0.24 114.28 112.99 1g1x n THR 24 Ca 0.07 1.99 -0.14 0.00 -2.04 0.00 0.00 64.05 63.93 1g1x n THR 24 Cb 0.49 -2.89 -0.08 0.00 -1.82 0.00 0.00 70.33 66.04 1g1x n THR 24 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1g1x h GLU 25 N 0.00 -0.62 -0.20 -2.82 3.07 -1.90 0.33 114.58 112.44 1g1x h GLU 25 Ca 0.53 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.49 1g1x h GLU 25 Cb 1.08 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 1g1x h GLU 25 CO -0.85 -0.42 -0.12 0.28 -1.40 0.00 0.00 179.01 176.50 1g1x h VAL 26 N -0.65 0.64 -0.84 3.13 2.07 -0.82 -0.85 116.25 118.93 1g1x h VAL 26 Ca -0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.69 1g1x h VAL 26 Cb 0.63 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 1g1x h VAL 26 CO -0.20 0.00 0.35 1.56 0.02 0.00 0.00 177.57 179.30 1g1x h GLN 27 N -0.11 0.41 -0.20 1.57 4.20 -0.12 0.73 115.11 121.60 1g1x h GLN 27 Ca 0.11 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1g1x h GLN 27 Cb 0.28 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1g1x h GLN 27 CO -0.27 0.27 -0.22 0.28 -0.67 0.00 0.00 178.83 178.22 1g1x h VAL 28 N 0.42 1.33 -0.05 -0.54 2.07 0.42 -2.69 116.25 117.21 1g1x h VAL 28 Ca 0.50 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1g1x h VAL 28 Cb 0.87 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1g1x h VAL 28 CO -0.48 0.42 -0.06 0.00 0.02 0.00 0.00 177.57 177.48 1g1x h ALA 29 N 0.63 -0.01 -0.87 1.67 0.00 -0.07 -0.53 119.26 120.09 1g1x h ALA 29 Ca 0.03 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1g1x h ALA 29 Cb 0.77 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1g1x h ALA 29 CO 0.05 -0.53 0.56 1.25 0.00 0.00 0.00 179.25 180.58 1g1x h LEU 30 N -0.08 0.85 -0.63 0.00 5.85 -0.93 -0.26 115.31 120.11 1g1x h LEU 30 Ca 0.04 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1g1x h LEU 30 Cb 0.14 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1g1x h LEU 30 CO -0.10 0.54 -0.65 0.25 -0.34 0.00 0.00 178.44 178.14 1g1x h LEU 31 N 0.96 0.16 -0.54 2.25 6.46 -1.07 -2.37 115.31 121.16 1g1x h LEU 31 Ca 0.37 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.99 1g1x h LEU 31 Cb 0.22 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1g1x h LEU 31 CO -0.14 0.77 0.16 0.74 -0.62 0.00 0.00 178.44 179.35 1g1x h THR 32 N 0.09 1.24 -0.49 1.05 2.02 0.52 0.78 112.91 118.11 1g1x h THR 32 Ca -0.01 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.43 1g1x h THR 32 Cb 1.17 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 1g1x h THR 32 CO 0.09 0.30 0.17 0.25 0.37 0.00 0.00 175.52 176.70 1g1x h LEU 33 N 0.75 0.16 -0.32 2.58 6.46 -0.82 0.29 115.31 124.41 1g1x h LEU 33 Ca 0.17 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1g1x h LEU 33 Cb 0.29 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1g1x h LEU 33 CO -0.00 0.12 0.13 0.03 -0.62 0.00 0.00 178.44 178.09 1g1x h ARG 34 N 0.34 0.48 0.42 1.25 3.08 -0.74 -1.33 114.38 117.87 1g1x h ARG 34 Ca 0.24 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1g1x h ARG 34 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1g1x h ARG 34 CO -0.25 0.48 -0.32 0.82 -1.07 0.00 0.00 179.97 179.63 1g1x h ILE 35 N 0.37 0.33 -0.64 2.04 2.04 0.11 -1.54 117.51 120.23 1g1x h ILE 35 Ca 0.11 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.09 1g1x h ILE 35 Cb 0.18 0.33 -0.12 0.00 -0.74 0.00 0.00 36.82 36.48 1g1x h ILE 35 CO -0.01 0.00 -0.21 0.78 0.00 0.00 0.00 178.15 178.71 1g1x h ASN 36 N -0.73 -0.76 1.52 1.72 -0.26 -0.23 0.21 115.58 117.05 1g1x h ASN 36 Ca -0.04 0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1g1x h ASN 36 Cb 0.63 0.45 -0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1g1x h ASN 36 CO -0.00 -0.24 -0.06 0.08 -1.06 0.00 0.00 177.43 176.14 1g1x h ARG 37 N -0.05 0.00 0.00 0.81 0.11 -1.16 -2.60 114.38 111.50 1g1x h ARG 37 Ca 0.30 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.13 1g1x h ARG 37 Cb 0.51 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.61 1g1x h ARG 37 CO -0.68 0.06 -0.97 1.25 0.10 0.00 0.00 179.97 179.73 1g1x h LEU 38 N 0.00 0.84 -0.64 0.08 6.46 0.27 -0.63 115.31 121.69 1g1x h LEU 38 Ca -0.00 -0.75 -0.03 0.00 -0.12 0.00 0.00 57.88 56.99 1g1x h LEU 38 Cb 0.84 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1g1x h LEU 38 CO 0.01 1.48 0.30 0.28 -0.62 0.00 0.00 178.44 179.89 1g1x h SER 39 N 0.29 0.85 -0.12 1.25 0.02 -0.63 0.43 113.55 115.63 1g1x h SER 39 Ca -0.12 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1g1x h SER 39 Cb 1.63 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1g1x h SER 39 CO 0.19 0.75 0.07 -0.33 -1.14 0.00 0.00 176.83 176.37 1g1x h GLU 40 N 0.88 0.17 -0.42 3.45 5.08 -1.44 0.31 114.58 122.61 1g1x h GLU 40 Ca 0.22 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1g1x h GLU 40 Cb 0.14 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 1g1x h GLU 40 CO -0.03 0.20 -0.15 1.25 -1.00 0.00 0.00 179.01 179.28 1g1x h HIS 41 N 0.10 -0.35 0.00 4.33 2.76 -0.23 0.12 115.15 121.87 1g1x h HIS 41 Ca 0.04 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1g1x h HIS 41 Cb 0.08 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.26 1g1x h HIS 41 CO -0.04 -0.23 0.00 1.28 -1.30 0.00 0.00 177.93 177.64 1g1x n LEU 42 N -5.35 0.43 0.26 0.26 4.77 0.14 -2.47 117.00 115.03 1g1x n LEU 42 Ca 0.03 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.71 1g1x n LEU 42 Cb 0.26 -0.55 0.67 0.00 -2.33 0.00 0.00 43.42 41.47 1g1x n LEU 42 CO 0.12 -0.45 1.03 0.50 -1.33 0.00 0.00 177.39 177.26 1g1x h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.23 -3.35 116.57 120.32 1g1x h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1g1x h LYS 43 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1g1x h LYS 43 CO 0.00 0.06 0.00 0.28 -2.27 0.00 0.00 179.45 177.52 1g1x n VAL 44 N -4.25 0.00 -4.29 2.00 0.31 -1.03 -4.72 118.33 106.35 1g1x n VAL 44 Ca -0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.98 1g1x n VAL 44 Cb 0.14 -0.49 -0.09 0.00 -0.91 0.00 0.00 33.84 32.50 1g1x n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1g1x n HIS 45 N -0.21 -1.28 0.70 3.52 8.25 -1.26 -4.72 115.22 120.22 1g1x n HIS 45 Ca 0.00 0.56 0.07 0.00 -0.26 0.00 0.00 57.72 58.09 1g1x n HIS 45 Cb 0.00 -2.81 0.36 0.00 1.12 0.00 0.00 29.99 28.66 1g1x n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1g1x n LYS 46 N -4.63 0.25 -0.45 -0.41 5.02 -1.26 -2.49 118.16 114.19 1g1x n LYS 46 Ca -0.31 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1g1x n LYS 46 Cb 0.69 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.48 1g1x n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g1x n LYS 47 N -1.23 3.27 -2.85 1.97 5.02 -1.26 -4.71 118.16 118.37 1g1x n LYS 47 Ca 0.07 -2.64 -0.43 0.00 -2.02 0.00 0.00 58.31 53.29 1g1x n LYS 47 Cb 0.10 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 1g1x n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1g1x n ASP 48 N 0.76 6.03 -0.06 4.39 -0.08 -1.04 -4.80 116.55 121.75 1g1x n ASP 48 Ca 0.21 -3.31 -0.08 0.00 -1.51 0.00 0.00 54.79 50.10 1g1x n ASP 48 Cb 0.74 -1.33 -0.01 0.00 2.34 0.00 0.00 41.12 42.85 1g1x n ASP 48 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1g1x h HIS 49 N 5.60 0.08 -0.17 -0.67 3.86 -1.88 -1.92 115.15 120.05 1g1x h HIS 49 Ca 0.25 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.50 1g1x h HIS 49 Cb 0.63 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.05 1g1x h HIS 49 CO 1.06 0.02 -0.45 0.45 0.86 0.00 0.00 177.93 179.87 1g1x h HIS 50 N 0.14 -1.35 0.00 2.45 3.86 -2.01 0.23 115.15 118.48 1g1x h HIS 50 Ca 0.11 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1g1x h HIS 50 Cb 0.12 0.61 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 1g1x h HIS 50 CO -0.16 -0.44 -0.03 0.66 0.86 0.00 0.00 177.93 178.83 1g1x h SER 51 N -0.44 0.00 0.13 2.45 4.64 -1.96 -0.41 113.55 117.97 1g1x h SER 51 Ca 0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1g1x h SER 51 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1g1x h SER 51 CO -0.39 0.03 -0.30 -0.74 -0.87 0.00 0.00 176.83 174.56 1g1x h HIS 52 N 0.00 0.29 -0.83 4.77 2.76 0.18 -0.34 115.15 121.98 1g1x h HIS 52 Ca -0.00 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1g1x h HIS 52 Cb 0.30 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 1g1x h HIS 52 CO 0.00 0.54 0.50 -0.09 -1.30 0.00 0.00 177.93 177.57 1g1x h ARG 53 N 0.23 1.12 -0.34 5.26 2.43 0.80 -1.32 114.38 122.57 1g1x h ARG 53 Ca 0.03 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1g1x h ARG 53 Cb 0.65 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1g1x h ARG 53 CO 0.05 0.79 0.02 0.78 -1.51 0.00 0.00 179.97 180.10 1g1x h GLY 54 N 1.16 0.56 0.87 2.80 0.00 -0.98 -2.41 103.07 105.07 1g1x h GLY 54 Ca 0.30 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1g1x h GLY 54 CO -0.06 0.30 -0.35 -2.00 0.00 0.00 0.00 176.54 174.43 1g1x h LEU 55 N 0.50 -0.83 -0.99 3.11 6.46 -0.70 -1.52 115.31 121.35 1g1x h LEU 55 Ca 0.11 0.01 0.30 0.00 -0.12 0.00 0.00 57.88 58.18 1g1x h LEU 55 Cb 0.29 0.22 -0.18 0.00 -0.73 0.00 0.00 40.66 40.26 1g1x h LEU 55 CO 0.01 -0.51 0.15 -0.07 -0.62 0.00 0.00 178.44 177.40 1g1x h LEU 56 N -1.13 -0.28 -0.60 2.25 4.07 -1.14 0.86 115.31 119.35 1g1x h LEU 56 Ca -0.10 0.27 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 1g1x h LEU 56 Cb 0.78 0.43 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1g1x h LEU 56 CO 0.17 -0.36 -0.47 0.24 -1.08 0.00 0.00 178.44 176.94 1g1x h MET 57 N 0.02 0.00 -0.08 1.13 2.86 -1.25 -1.92 114.93 115.70 1g1x h MET 57 Ca 0.65 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.20 1g1x h MET 57 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.11 1g1x h MET 57 CO -0.87 0.47 -0.30 0.52 1.06 0.00 0.00 176.91 177.78 1g1x h MET 58 N 0.00 0.34 -0.39 1.72 2.86 0.17 -1.82 114.93 117.80 1g1x h MET 58 Ca -0.00 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1g1x h MET 58 Cb 1.11 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1g1x h MET 58 CO 0.06 0.89 0.18 0.28 1.06 0.00 0.00 176.91 179.39 1g1x h VAL 59 N -0.15 1.14 -0.18 -2.22 2.07 -0.65 -1.70 116.25 114.56 1g1x h VAL 59 Ca -0.02 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1g1x h VAL 59 Cb 0.94 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1g1x h VAL 59 CO 0.06 0.16 -0.37 1.23 0.02 0.00 0.00 177.57 178.67 1g1x h GLY 60 N 0.65 0.62 1.18 2.17 0.00 -1.28 -2.80 103.07 103.61 1g1x h GLY 60 Ca 0.14 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1g1x h GLY 60 CO -0.02 0.66 0.24 -1.61 0.00 0.00 0.00 176.54 175.81 1g1x h GLN 61 N 0.22 1.04 -0.42 4.80 5.75 -0.97 -2.31 115.11 123.22 1g1x h GLN 61 Ca 0.01 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.33 1g1x h GLN 61 Cb 0.97 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.32 1g1x h GLN 61 CO 0.08 0.87 0.24 -0.09 -2.65 0.00 0.00 178.83 177.28 1g1x h ARG 62 N 1.01 0.47 -0.56 1.69 2.43 -1.29 -0.73 114.38 117.40 1g1x h ARG 62 Ca 0.23 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1g1x h ARG 62 Cb 0.25 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1g1x h ARG 62 CO -0.01 0.31 0.24 0.00 -1.51 0.00 0.00 179.97 179.00 1g1x h ARG 63 N 0.48 0.44 -0.21 0.20 3.08 -1.18 -0.70 114.38 116.50 1g1x h ARG 63 Ca 0.17 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1g1x h ARG 63 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1g1x h ARG 63 CO -0.08 0.29 -0.07 0.00 -1.07 0.00 0.00 179.97 179.04 1g1x h ARG 64 N 0.46 0.32 -0.10 0.04 3.08 -0.85 0.19 114.38 117.52 1g1x h ARG 64 Ca 0.26 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1g1x h ARG 64 Cb 0.25 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1g1x h ARG 64 CO -0.23 0.41 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.90 1g1x h LEU 65 N 0.31 0.26 0.76 3.04 3.38 -0.24 -2.14 115.31 120.67 1g1x h LEU 65 Ca 0.07 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1g1x h LEU 65 Cb 0.32 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1g1x h LEU 65 CO 0.01 0.70 -0.49 -0.07 0.09 0.00 0.00 178.44 178.69 1g1x h LEU 66 N -0.17 -1.25 -0.98 1.67 3.38 -0.66 -0.66 115.31 116.63 1g1x h LEU 66 Ca 0.01 0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.38 1g1x h LEU 66 Cb 0.63 0.37 -0.16 0.00 0.09 0.00 0.00 40.66 41.60 1g1x h LEU 66 CO 0.03 -0.74 0.48 -0.09 0.09 0.00 0.00 178.44 178.21 1g1x h ARG 67 N -1.18 0.22 0.63 1.13 2.43 -0.70 0.25 114.38 117.16 1g1x h ARG 67 Ca -0.10 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1g1x h ARG 67 Cb 0.95 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1g1x h ARG 67 CO 0.09 0.15 -0.30 -0.92 -1.51 0.00 0.00 179.97 177.47 1g1x h TYR 68 N 0.23 -0.79 0.40 2.20 3.20 -0.67 -0.46 116.97 121.09 1g1x h TYR 68 Ca 0.72 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.57 1g1x h TYR 68 Cb 1.67 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 40.17 1g1x h TYR 68 CO -0.08 -0.46 -0.44 1.25 -1.64 0.00 0.00 178.16 176.80 1g1x h LEU 69 N -0.96 -1.20 -1.15 2.82 6.46 0.85 0.63 115.31 122.76 1g1x h LEU 69 Ca -0.09 0.10 0.33 0.00 -0.12 0.00 0.00 57.88 58.11 1g1x h LEU 69 Cb 0.68 0.41 -0.13 0.00 -0.73 0.00 0.00 40.66 40.89 1g1x h LEU 69 CO 0.14 -0.58 0.65 -0.61 -0.62 0.00 0.00 178.44 177.42 1g1x h GLN 70 N -0.86 0.30 0.33 1.25 4.15 -0.74 1.95 115.11 121.48 1g1x h GLN 70 Ca -0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1g1x h GLN 70 Cb 0.77 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1g1x h GLN 70 CO -0.09 0.20 -0.16 -0.09 -1.93 0.00 0.00 178.83 176.76 1g1x h ARG 71 N 0.31 -0.43 0.00 1.69 2.43 0.56 -3.19 114.38 115.75 1g1x h ARG 71 Ca 0.72 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.92 1g1x h ARG 71 Cb 1.80 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 1g1x h ARG 71 CO -0.51 -0.28 0.00 -1.91 -1.51 0.00 0.00 179.97 175.76 1g1x n GLU 72 N -4.63 0.25 -2.73 0.20 4.07 0.20 -4.48 120.64 113.52 1g1x n GLU 72 Ca -0.05 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.00 1g1x n GLU 72 Cb 0.17 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.08 1g1x n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1g1x n ASP 73 N -1.37 -2.81 -0.32 4.31 -0.08 0.65 -4.98 116.55 111.95 1g1x n ASP 73 Ca 0.11 -2.53 0.29 0.00 -1.51 0.00 0.00 54.79 51.15 1g1x n ASP 73 Cb 0.28 1.50 0.62 0.00 2.34 0.00 0.00 41.12 45.86 1g1x n ASP 73 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1g1x h PRO 74 N 4.51 0.20 -0.11 -0.67 0.11 -1.61 -0.09 132.00 134.33 1g1x h PRO 74 Ca -0.02 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.12 1g1x h PRO 74 Cb 1.11 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1g1x h PRO 74 CO 0.04 0.13 -0.18 0.93 -0.21 0.00 0.00 178.00 178.71 1g1x h GLU 75 N 0.20 -0.22 0.04 1.05 5.08 -1.90 -2.61 114.58 116.22 1g1x h GLU 75 Ca 0.58 0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.71 1g1x h GLU 75 Cb 1.85 0.05 0.01 0.00 0.50 0.00 0.00 28.75 31.17 1g1x h GLU 75 CO -0.17 -0.15 -1.05 0.00 -1.00 0.00 0.00 179.01 176.64 1g1x h ARG 76 N -0.23 0.46 -0.54 2.33 3.08 -1.38 -3.19 114.38 114.92 1g1x h ARG 76 Ca 0.09 -0.55 0.15 0.00 0.07 0.00 0.00 59.98 59.75 1g1x h ARG 76 Cb 0.37 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1g1x h ARG 76 CO -0.25 1.19 0.39 -0.92 -1.07 0.00 0.00 179.97 179.31 1g1x h TYR 77 N 0.24 0.02 0.00 3.04 3.20 -1.35 -2.96 116.97 119.16 1g1x h TYR 77 Ca -0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1g1x h TYR 77 Cb 1.70 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.97 1g1x h TYR 77 CO 0.07 0.01 0.00 0.54 -1.64 0.00 0.00 178.16 177.14 1g1x n ARG 78 N -4.38 0.00 -0.13 1.82 5.12 -0.99 -1.53 116.66 116.57 1g1x n ARG 78 Ca 0.10 0.20 -0.12 0.00 -1.93 0.00 0.00 57.85 56.10 1g1x n ARG 78 Cb 0.60 -0.88 -0.08 0.00 -1.16 0.00 0.00 32.46 30.95 1g1x n ARG 78 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1g1x h GLU 79 N 0.00 -0.37 -0.63 5.56 4.39 -1.72 -2.83 114.58 118.99 1g1x h GLU 79 Ca 0.00 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1g1x h GLU 79 Cb 0.00 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.62 1g1x h GLU 79 CO 0.00 -0.24 -0.44 0.97 -1.16 0.00 0.00 179.01 178.13 1g1x h ILE 80 N -0.38 0.08 -0.92 3.13 6.09 -1.57 0.82 117.51 124.75 1g1x h ILE 80 Ca 0.10 0.00 0.19 0.00 -1.37 0.00 0.00 64.86 63.78 1g1x h ILE 80 Cb 0.60 0.08 -0.11 0.00 0.47 0.00 0.00 36.82 37.85 1g1x h ILE 80 CO -0.58 0.00 0.48 0.58 -3.07 0.00 0.00 178.15 175.55 1g1x h VAL 81 N -0.20 0.61 0.12 2.19 2.07 -1.04 -1.28 116.25 118.71 1g1x h VAL 81 Ca 0.19 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1g1x h VAL 81 Cb 0.56 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1g1x h VAL 81 CO -0.72 0.10 -0.06 -0.08 0.02 0.00 0.00 177.57 176.83 1g1x h GLU 82 N 0.56 -0.15 -1.17 1.57 4.81 0.11 -1.71 114.58 118.61 1g1x h GLU 82 Ca 0.54 0.01 0.34 0.00 -0.13 0.00 0.00 59.36 60.12 1g1x h GLU 82 Cb 0.93 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 1g1x h GLU 82 CO -0.44 -0.10 1.06 -0.22 -0.73 0.00 0.00 179.01 178.58 1g1x h LYS 83 N -0.34 0.00 -0.11 1.92 3.64 0.54 2.63 116.57 124.85 1g1x h LYS 83 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1g1x h LYS 83 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1g1x h LYS 83 CO 0.03 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.49 1g1x n LEU 84 N -3.66 1.91 -2.67 5.20 4.77 -0.50 -4.89 117.00 117.16 1g1x n LEU 84 Ca 0.26 -0.73 -0.13 0.00 -0.03 0.00 0.00 56.01 55.38 1g1x n LEU 84 Cb 1.43 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 42.45 1g1x n LEU 84 CO 0.32 0.36 -0.11 0.61 -1.33 0.00 0.00 177.39 177.25 1g1x n GLY 85 N 1.21 -0.50 3.99 -0.72 0.00 0.88 -4.91 105.19 105.14 1g1x n GLY 85 Ca 0.17 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1g1x n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g1x s LEU 86 N -5.74 3.46 0.00 0.99 1.43 -0.65 -4.89 118.68 113.28 1g1x s LEU 86 Ca 0.10 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1g1x s LEU 86 Cb -0.05 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1g1x s LEU 86 CO 0.12 -0.96 0.00 -1.14 0.23 0.00 0.00 176.35 174.60 1g1x n ARG 87 N -2.13 0.00 0.00 1.70 3.00 -1.26 -4.66 116.66 113.31 1g1x n ARG 87 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1g1x n ARG 87 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1g1x n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04