#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9h s SER 2 N 0.00 0.14 -0.01 1.61 0.15 -1.26 -5.09 113.70 109.25 2d9h s SER 2 Ca 0.00 -0.90 -0.17 0.00 0.70 0.00 0.00 55.95 55.57 2d9h s SER 2 Cb 0.00 0.37 -0.10 0.00 -1.71 0.00 0.00 66.02 64.58 2d9h s SER 2 CO 0.00 -0.80 0.84 0.28 1.20 0.00 0.00 173.24 174.76 2d9h h SER 3 N 2.70 -0.53 -2.88 5.45 0.02 -2.07 -3.42 113.55 112.82 2d9h h SER 3 Ca -0.33 0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.07 2d9h h SER 3 Cb 1.21 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 2d9h h SER 3 CO 0.53 -0.21 1.01 -0.83 -1.14 0.00 0.00 176.83 176.18 2d9h s GLY 4 N -2.38 1.46 -0.17 -3.77 0.00 -1.26 -4.90 107.32 96.29 2d9h s GLY 4 Ca -0.09 0.46 -0.21 0.00 0.00 0.00 0.00 44.72 44.88 2d9h s GLY 4 CO 0.27 2.74 0.39 1.76 0.00 0.00 0.00 173.10 178.26 2d9h h SER 5 N 9.30 0.09 -3.29 1.64 0.02 -2.04 -3.48 113.55 115.78 2d9h h SER 5 Ca -0.30 -0.68 -0.10 0.00 -0.84 0.00 0.00 61.79 59.86 2d9h h SER 5 Cb 1.13 -0.03 -0.25 0.00 0.14 0.00 0.00 62.40 63.38 2d9h h SER 5 CO 0.99 1.44 -0.24 -0.55 -1.14 0.00 0.00 176.83 177.33 2d9h s SER 6 N -6.78 -0.56 0.00 3.07 0.15 -1.26 -5.14 113.70 103.18 2d9h s SER 6 Ca -0.25 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2d9h s SER 6 Cb 0.04 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 2d9h s SER 6 CO 0.65 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.51 2d9h n GLY 7 N 4.07 3.09 3.81 9.45 0.00 -1.26 -4.94 105.19 119.41 2d9h n GLY 7 Ca -0.22 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 2d9h n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9h s LEU 8 N 0.00 4.04 -0.16 0.99 1.43 0.76 -4.87 118.68 120.88 2d9h s LEU 8 Ca 0.00 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 2d9h s LEU 8 Cb 0.00 -4.37 0.02 0.00 0.03 0.00 0.00 46.19 41.87 2d9h s LEU 8 CO 0.00 -0.28 -0.17 -1.58 0.23 0.00 0.00 176.35 174.55 2d9h s GLN 9 N -2.90 2.60 0.58 1.70 2.00 -1.26 -1.60 119.66 120.79 2d9h s GLN 9 Ca 0.58 -0.68 -0.18 0.00 -2.00 0.00 0.00 55.36 53.09 2d9h s GLN 9 Cb -0.11 -2.29 -0.04 0.00 0.80 0.00 0.00 33.01 31.37 2d9h s GLN 9 CO 0.16 -0.20 1.10 0.00 -0.50 0.00 0.00 175.29 175.85 2d9h n GLU 11 N -1.72 0.68 0.04 0.00 0.28 -1.26 -3.29 120.64 115.36 2d9h n GLU 11 Ca 0.10 0.05 -0.02 0.00 -0.16 0.00 0.00 57.16 57.14 2d9h n GLU 11 Cb 0.52 -1.54 -0.01 0.00 1.43 0.00 0.00 31.44 31.84 2d9h n GLU 11 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2d9h h ILE 12 N 0.00 0.00 0.00 3.84 1.08 -1.99 -3.39 117.51 117.05 2d9h h ILE 12 Ca -0.54 0.00 -0.40 0.00 -0.39 0.00 0.00 64.86 63.53 2d9h h ILE 12 Cb 2.14 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.82 2d9h h ILE 12 CO 0.00 0.00 -2.45 0.00 -0.69 0.00 0.00 178.15 175.01 2d9h n GLY 14 N 2.04 1.97 3.74 0.00 0.00 -1.21 -5.05 105.19 106.68 2d9h n GLY 14 Ca -0.47 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 2d9h n GLY 14 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2d9h s PHE 15 N -2.00 1.92 -0.04 1.61 5.36 -1.26 -4.62 117.98 118.96 2d9h s PHE 15 Ca 0.00 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 56.73 2d9h s PHE 15 Cb 0.00 -3.45 0.02 0.00 -0.34 0.00 0.00 43.02 39.25 2d9h s PHE 15 CO 0.00 -2.83 -0.05 0.95 -1.46 0.00 0.00 175.22 171.84 2d9h s THR 16 N -3.22 0.53 -0.06 0.12 -4.23 -1.26 -0.78 115.64 106.75 2d9h s THR 16 Ca 0.67 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2d9h s THR 16 Cb -0.14 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 73.19 2d9h s THR 16 CO 0.55 0.22 0.13 0.00 -0.54 0.00 0.00 174.62 174.97 2d9h h ARG 18 N 6.87 0.36 -7.25 0.00 -0.00 -1.92 0.22 114.38 112.66 2d9h h ARG 18 Ca -0.38 -0.16 -0.48 0.00 -0.50 0.00 0.00 59.98 58.45 2d9h h ARG 18 Cb 1.16 -0.01 0.03 0.00 0.00 0.00 0.00 29.97 31.15 2d9h h ARG 18 CO 0.43 0.69 0.39 -0.65 0.00 0.00 0.00 179.97 180.83 2d9h s GLN 19 N -4.51 3.82 -0.13 0.04 1.11 -1.26 -4.54 119.66 114.20 2d9h s GLN 19 Ca -0.14 0.89 -0.23 0.00 0.01 0.00 0.00 55.36 55.89 2d9h s GLN 19 Cb 0.06 -2.12 -0.21 0.00 -1.01 0.00 0.00 33.01 29.73 2d9h s GLN 19 CO 0.75 -0.38 0.63 0.87 0.01 0.00 0.00 175.29 177.17 2d9h h LYS 20 N 0.49 -0.00 -0.84 2.91 6.56 -2.02 -3.35 116.57 120.31 2d9h h LYS 20 Ca -0.46 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.27 2d9h h LYS 20 Cb 1.19 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.71 2d9h h LYS 20 CO 0.62 0.78 -0.37 0.00 -2.06 0.00 0.00 179.45 178.42 2d9h h ALA 21 N -0.19 0.07 -0.84 3.86 0.00 -1.99 0.21 119.26 120.38 2d9h h ALA 21 Ca -0.00 0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.33 2d9h h ALA 21 Cb 0.79 0.93 -0.16 0.00 0.00 0.00 0.00 17.79 19.35 2d9h h ALA 21 CO 0.00 -0.65 -0.11 0.66 0.00 0.00 0.00 179.25 179.15 2d9h h SER 22 N -0.06 -0.61 0.11 0.00 4.64 -1.99 0.13 113.55 115.76 2d9h h SER 22 Ca 0.30 0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.87 2d9h h SER 22 Cb 0.58 0.47 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2d9h h SER 22 CO -0.87 -0.26 -0.16 0.25 -0.87 0.00 0.00 176.83 174.91 2d9h h LEU 23 N 0.03 -0.45 -0.47 5.97 5.85 -0.73 0.51 115.31 126.01 2d9h h LEU 23 Ca 0.44 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.28 2d9h h LEU 23 Cb 0.75 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 2d9h h LEU 23 CO -0.82 -0.24 0.16 0.78 -0.34 0.00 0.00 178.44 177.97 2d9h h ASN 24 N -0.33 0.14 0.19 1.25 2.35 -0.46 0.77 115.58 119.50 2d9h h ASN 24 Ca 0.02 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2d9h h ASN 24 Cb 0.34 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2d9h h ASN 24 CO -0.08 0.11 -0.35 -0.25 -1.65 0.00 0.00 177.43 175.21 2d9h h TRP 25 N 0.32 0.26 0.00 1.19 2.91 -0.53 -0.55 115.95 119.55 2d9h h TRP 25 Ca 0.23 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.19 2d9h h TRP 25 Cb 0.24 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 2d9h h TRP 25 CO -0.17 0.55 -0.16 1.25 -1.03 0.00 0.00 178.44 178.89 2d9h h HIS 26 N 0.20 0.00 0.10 2.65 2.76 0.12 -3.30 115.15 117.68 2d9h h HIS 26 Ca 0.02 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.86 2d9h h HIS 26 Cb 0.71 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 2d9h h HIS 26 CO 0.01 0.00 -1.81 1.96 -1.30 0.00 0.00 177.93 176.80 2d9h h GLN 27 N 0.00 0.20 -0.13 5.26 4.20 0.96 -3.32 115.11 122.29 2d9h h GLN 27 Ca 0.00 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.38 2d9h h GLN 27 Cb 0.90 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 2d9h h GLN 27 CO 0.00 1.01 0.09 0.07 -0.67 0.00 0.00 178.83 179.33 2d9h h ARG 28 N 0.06 0.12 -0.08 1.46 0.11 -1.19 -1.53 114.38 113.33 2d9h h ARG 28 Ca -0.34 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 59.54 2d9h h ARG 28 Cb 2.03 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 33.08 2d9h h ARG 28 CO 0.11 0.08 -0.73 1.57 0.10 0.00 0.00 179.97 181.10 2d9h h LYS 29 N 0.13 0.43 -0.97 0.08 2.10 -1.69 -3.19 116.57 113.46 2d9h h LYS 29 Ca 0.05 -0.35 0.18 0.00 -2.00 0.00 0.00 60.65 58.52 2d9h h LYS 29 Cb 0.05 0.07 -0.10 0.00 -0.90 0.00 0.00 32.23 31.35 2d9h h LYS 29 CO -0.01 0.99 0.57 0.45 -2.00 0.00 0.00 179.45 179.45 2d9h h HIS 30 N 0.30 1.01 -0.94 0.07 3.86 -1.37 0.19 115.15 118.26 2d9h h HIS 30 Ca -0.03 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.36 2d9h h HIS 30 Cb 1.31 -0.30 -0.09 0.00 1.06 0.00 0.00 27.41 29.38 2d9h h HIS 30 CO 0.05 0.24 0.55 0.00 0.86 0.00 0.00 177.93 179.63 2d9h h ALA 31 N 1.62 1.47 0.14 2.45 0.00 -1.56 0.31 119.26 123.69 2d9h h ALA 31 Ca 0.55 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 55.27 2d9h h ALA 31 Cb 0.82 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2d9h h ALA 31 CO -0.37 0.03 -1.18 0.93 0.00 0.00 0.00 179.25 178.66 2d9h h GLU 32 N 0.79 0.30 0.65 0.00 3.07 -1.11 -3.37 114.58 114.90 2d9h h GLU 32 Ca 0.51 -0.51 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2d9h h GLU 32 Cb 0.67 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2d9h h GLU 32 CO -0.33 1.24 -0.44 1.15 -1.40 0.00 0.00 179.01 179.23 2d9h h THR 33 N -0.28 0.12 -0.68 1.13 2.02 -0.25 -1.98 112.91 112.99 2d9h h THR 33 Ca -0.23 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.20 2d9h h THR 33 Cb 1.76 0.12 -0.12 0.00 -1.74 0.00 0.00 68.15 68.17 2d9h h THR 33 CO 0.12 0.00 0.24 0.55 0.37 0.00 0.00 175.52 176.80 2d9h n VAL 34 N -5.56 -0.29 -0.03 3.16 3.14 0.11 0.15 118.33 119.00 2d9h n VAL 34 Ca -0.13 1.43 -0.15 0.00 -2.96 0.00 0.00 64.34 62.53 2d9h n VAL 34 Cb 0.45 -2.23 -0.11 0.00 -1.06 0.00 0.00 33.84 30.89 2d9h n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2d9h h ALA 35 N 1.36 0.03 -1.32 1.55 0.00 -1.63 -3.24 119.26 116.02 2d9h h ALA 35 Ca 0.52 -0.43 0.40 0.00 0.00 0.00 0.00 54.91 55.39 2d9h h ALA 35 Cb 1.28 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 2d9h h ALA 35 CO -0.57 0.02 0.89 0.00 0.00 0.00 0.00 179.25 179.59 2d9h h ALA 36 N 0.27 2.85 -2.17 0.00 0.00 0.21 -3.37 119.26 117.05 2d9h h ALA 36 Ca -0.02 0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.37 2d9h h ALA 36 Cb 0.91 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2d9h h ALA 36 CO 0.03 -1.36 0.90 -0.51 0.00 0.00 0.00 179.25 178.31 2d9h s LEU 37 N -9.06 4.20 -0.02 0.00 1.43 -0.71 -4.06 118.68 110.46 2d9h s LEU 37 Ca -0.07 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.79 2d9h s LEU 37 Cb 0.27 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2d9h s LEU 37 CO 0.82 -0.76 0.01 0.54 0.23 0.00 0.00 176.35 177.20 2d9h n ARG 38 N 6.50 3.21 -3.25 1.70 3.00 -0.72 -4.79 116.66 122.30 2d9h n ARG 38 Ca 0.14 -0.00 -0.45 0.00 -0.01 0.00 0.00 57.85 57.53 2d9h n ARG 38 Cb 0.45 -1.05 -0.06 0.00 0.00 0.00 0.00 32.46 31.80 2d9h n ARG 38 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2d9h s PHE 39 N -2.06 3.15 1.07 -1.55 0.40 -0.92 -4.94 117.98 113.13 2d9h s PHE 39 Ca -0.01 -1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 55.16 2d9h s PHE 39 Cb 0.01 -3.68 0.22 0.00 0.51 0.00 0.00 43.02 40.08 2d9h s PHE 39 CO 0.08 -1.04 1.10 -1.25 0.70 0.00 0.00 175.22 174.81 2d9h s PRO 40 N 2.05 -0.13 -0.40 0.24 0.04 -1.26 -1.26 135.00 134.27 2d9h s PRO 40 Ca 0.07 0.33 -0.10 0.00 0.04 0.00 0.00 61.00 61.34 2d9h s PRO 40 Cb -0.26 -1.69 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2d9h s PRO 40 CO 0.06 -3.07 0.24 0.00 0.04 0.00 0.00 177.00 174.27 2d9h n GLU 42 N 4.95 0.23 -0.10 0.00 0.28 -1.26 0.16 120.64 124.91 2d9h n GLU 42 Ca -0.11 0.07 -0.18 0.00 -0.16 0.00 0.00 57.16 56.79 2d9h n GLU 42 Cb 0.44 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.73 2d9h n GLU 42 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2d9h n PHE 43 N -1.10 0.81 -0.01 -1.84 3.01 -1.26 -4.79 117.46 112.28 2d9h n PHE 43 Ca 0.06 0.35 -0.01 0.00 1.01 0.00 0.00 57.45 58.86 2d9h n PHE 43 Cb 0.05 -0.97 -0.02 0.00 -0.01 0.00 0.00 39.48 38.53 2d9h n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2d9h n GLY 45 N 2.97 1.29 2.86 0.00 0.00 0.43 -4.99 105.19 107.75 2d9h n GLY 45 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2d9h n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d9h n LYS 46 N 0.00 -2.13 -3.80 1.61 5.02 -1.25 -3.89 118.16 113.72 2d9h n LYS 46 Ca 0.00 -0.85 -0.13 0.00 -2.02 0.00 0.00 58.31 55.32 2d9h n LYS 46 Cb 0.00 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.41 2d9h n LYS 46 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d9h s ARG 47 N -3.77 0.22 0.06 1.97 0.52 -1.26 0.19 118.95 116.89 2d9h s ARG 47 Ca 0.39 0.29 0.06 0.00 -0.52 0.00 0.00 55.73 55.94 2d9h s ARG 47 Cb -0.07 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.46 2d9h s ARG 47 CO 0.33 -0.04 -0.15 -0.06 0.02 0.00 0.00 175.30 175.39 2d9h s PHE 48 N 0.20 1.33 0.50 -0.53 0.40 -0.39 -4.85 117.98 114.64 2d9h s PHE 48 Ca -0.01 -0.41 0.35 0.00 -0.60 0.00 0.00 56.93 56.26 2d9h s PHE 48 Cb -0.02 -0.76 1.90 0.00 0.51 0.00 0.00 43.02 44.65 2d9h s PHE 48 CO -0.00 0.07 2.07 1.05 0.70 0.00 0.00 175.22 179.10 2d9h h GLU 49 N 4.55 0.00 -3.33 0.44 4.11 -1.88 -1.79 114.58 116.69 2d9h h GLU 49 Ca -0.41 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 2d9h h GLU 49 Cb 1.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 2d9h h GLU 49 CO 0.42 0.00 0.01 -1.59 0.07 0.00 0.00 179.01 177.91 2d9h s LYS 50 N -3.99 1.31 0.10 1.06 -2.85 -1.26 -4.48 119.74 109.62 2d9h s LYS 50 Ca -0.04 -0.83 -0.15 0.00 -1.00 0.00 0.00 55.97 53.95 2d9h s LYS 50 Cb 0.10 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.29 2d9h s LYS 50 CO 0.32 -0.55 1.42 -1.00 0.10 0.00 0.00 175.35 175.64 2d9h h PRO 51 N 2.23 0.68 -1.15 1.78 0.13 -1.90 -3.11 132.00 130.66 2d9h h PRO 51 Ca -0.30 -0.36 0.38 0.00 -0.87 0.00 0.00 66.00 64.85 2d9h h PRO 51 Cb 1.26 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 2d9h h PRO 51 CO 0.40 0.97 0.70 -0.44 -0.23 0.00 0.00 178.00 179.39 2d9h h ASP 52 N 0.41 0.36 1.20 1.44 3.32 -1.98 1.48 116.42 122.66 2d9h h ASP 52 Ca 0.04 0.16 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 2d9h h ASP 52 Cb 0.84 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2d9h h ASP 52 CO 0.07 -0.17 -0.81 -1.28 -1.72 0.00 0.00 179.24 175.33 2d9h h SER 53 N 0.19 0.00 0.75 6.45 0.87 -1.96 -3.17 113.55 116.67 2d9h h SER 53 Ca 0.77 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 61.21 2d9h h SER 53 Cb 2.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.06 2d9h h SER 53 CO -0.50 0.73 -0.56 0.58 -0.53 0.00 0.00 176.83 176.55 2d9h h VAL 54 N 0.00 1.25 0.00 2.23 2.07 0.20 -1.41 116.25 120.60 2d9h h VAL 54 Ca -0.03 -2.00 -0.25 0.00 0.82 0.00 0.00 66.70 65.25 2d9h h VAL 54 Cb 1.58 2.12 0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2d9h h VAL 54 CO 0.09 0.54 -1.00 0.00 0.02 0.00 0.00 177.57 177.23 2d9h h ALA 55 N 1.44 0.25 0.00 1.67 0.00 -0.92 -3.24 119.26 118.47 2d9h h ALA 55 Ca -0.01 -0.71 -0.25 0.00 0.00 0.00 0.00 54.91 53.95 2d9h h ALA 55 Cb 1.08 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2d9h h ALA 55 CO 0.07 0.76 -1.00 0.00 0.00 0.00 0.00 179.25 179.08 2d9h h ALA 56 N 0.58 0.25 -0.77 0.00 0.00 -1.52 -3.22 119.26 114.58 2d9h h ALA 56 Ca -0.10 -0.71 0.14 0.00 0.00 0.00 0.00 54.91 54.24 2d9h h ALA 56 Cb 1.64 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 2d9h h ALA 56 CO 0.18 0.76 0.51 1.25 0.00 0.00 0.00 179.25 181.95 2d9h h HIS 57 N 0.30 0.55 0.00 0.00 -0.00 -1.33 0.39 115.15 115.07 2d9h h HIS 57 Ca -0.10 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2d9h h HIS 57 Cb 1.64 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.88 2d9h h HIS 57 CO 0.08 0.22 0.00 0.00 -0.00 0.00 0.00 177.93 178.23 2d9h h ARG 58 N 0.48 0.00 -0.01 5.26 3.08 -1.58 0.65 114.38 122.27 2d9h h ARG 58 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2d9h h ARG 58 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2d9h h ARG 58 CO -0.13 0.00 -0.38 0.45 -1.07 0.00 0.00 179.97 178.84 2d9h n SER 59 N -3.07 1.17 -0.01 7.04 2.88 0.13 -0.35 113.62 121.41 2d9h n SER 59 Ca 0.01 -0.95 -0.01 0.00 -1.33 0.00 0.00 58.87 56.60 2d9h n SER 59 Cb 0.31 0.27 -0.02 0.00 -0.75 0.00 0.00 64.21 64.03 2d9h n SER 59 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2d9h n LYS 60 N -0.68 3.13 -0.04 -1.46 4.76 -0.85 -4.35 118.16 118.67 2d9h n LYS 60 Ca 0.10 -0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.50 2d9h n LYS 60 Cb 0.37 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.45 2d9h n LYS 60 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2d9h n SER 61 N -2.00 3.19 -0.98 4.39 7.64 0.22 -4.65 113.62 121.44 2d9h n SER 61 Ca -0.03 -0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.83 2d9h n SER 61 Cb 0.49 0.66 0.18 0.00 -1.01 0.00 0.00 64.21 64.52 2d9h n SER 61 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2d9h n HIS 62 N -2.28 0.73 0.44 1.43 8.25 -0.59 -4.72 115.22 118.48 2d9h n HIS 62 Ca -0.12 -1.67 0.10 0.00 -0.26 0.00 0.00 57.72 55.77 2d9h n HIS 62 Cb 0.74 -0.34 0.41 0.00 1.12 0.00 0.00 29.99 31.92 2d9h n HIS 62 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2d9h n PRO 63 N -1.06 0.11 0.01 -0.41 -0.04 0.52 -1.88 135.00 132.24 2d9h n PRO 63 Ca 0.27 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 2d9h n PRO 63 Cb 0.81 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 2d9h n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9h n ALA 64 N -1.65 3.73 -0.11 0.55 0.00 -1.26 -4.29 120.51 117.48 2d9h n ALA 64 Ca 0.03 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 2d9h n ALA 64 Cb 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 2d9h n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d9h n LEU 65 N -1.88 1.90 -0.32 0.00 4.77 -0.91 -4.47 117.00 116.09 2d9h n LEU 65 Ca 0.01 0.42 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 2d9h n LEU 65 Cb 0.44 -0.86 0.09 0.00 -2.33 0.00 0.00 43.42 40.76 2d9h n LEU 65 CO 0.43 0.11 0.66 -0.07 -1.33 0.00 0.00 177.39 177.19 2d9h h LEU 66 N -1.00 -0.97-10.26 2.23 3.38 -1.61 -3.40 115.31 103.67 2d9h h LEU 66 Ca -0.32 0.27 -0.41 0.00 0.09 0.00 0.00 57.88 57.51 2d9h h LEU 66 Cb 1.18 0.59 0.20 0.00 0.09 0.00 0.00 40.66 42.72 2d9h h LEU 66 CO -0.19 -0.30 0.06 -0.76 0.09 0.00 0.00 178.44 177.34 2d9h s LEU 67 N -11.08 0.32 0.21 1.67 1.43 -1.26 -5.07 118.68 104.91 2d9h s LEU 67 Ca -0.15 0.86 0.09 0.00 -1.03 0.00 0.00 54.13 53.90 2d9h s LEU 67 Cb 0.23 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2d9h s LEU 67 CO 0.75 -4.36 -0.18 0.00 0.23 0.00 0.00 176.35 172.80 2d9h s ALA 68 N -2.74 2.24 -0.07 4.21 0.00 -1.26 -5.00 121.76 119.13 2d9h s ALA 68 Ca 0.69 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2d9h s ALA 68 Cb -0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2d9h s ALA 68 CO 0.58 0.19 1.51 -1.25 0.00 0.00 0.00 175.76 176.79 2d9h s PRO 69 N -3.31 4.21 0.93 0.00 0.04 -1.26 -5.00 135.00 130.62 2d9h s PRO 69 Ca 0.22 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 2d9h s PRO 69 Cb -0.04 -3.85 0.15 0.00 0.04 0.00 0.00 34.50 30.81 2d9h s PRO 69 CO 0.09 -0.76 1.09 -1.14 0.04 0.00 0.00 177.00 176.32 2d9h s GLN 70 N 3.59 0.92 -0.82 4.56 0.74 -1.26 -3.98 119.66 123.40 2d9h s GLN 70 Ca 0.67 1.06 -0.04 0.00 0.05 0.00 0.00 55.36 57.10 2d9h s GLN 70 Cb -0.30 -1.75 0.00 0.00 1.10 0.00 0.00 33.01 32.06 2d9h s GLN 70 CO 0.25 -2.54 0.71 -1.91 -0.55 0.00 0.00 175.29 171.25 2d9h n GLU 71 N -4.12 -4.76 -3.20 1.67 4.07 -1.26 -5.01 120.64 108.03 2d9h n GLU 71 Ca 0.08 0.53 -0.33 0.00 -0.06 0.00 0.00 57.16 57.38 2d9h n GLU 71 Cb 0.54 -4.64 -0.06 0.00 -0.06 0.00 0.00 31.44 27.22 2d9h n GLU 71 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2d9h s SER 72 N -3.44 6.79 0.22 4.31 0.15 -1.26 -5.01 113.70 115.46 2d9h s SER 72 Ca 0.24 1.22 -0.32 0.00 0.70 0.00 0.00 55.95 57.79 2d9h s SER 72 Cb -0.10 -2.35 -0.13 0.00 -1.71 0.00 0.00 66.02 61.72 2d9h s SER 72 CO 0.46 -0.13 1.46 -1.54 1.20 0.00 0.00 173.24 174.69 2d9h n SER 73 N -0.10 2.87 0.00 5.45 3.41 -1.26 -4.87 113.62 119.12 2d9h n SER 73 Ca 0.02 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 2d9h n SER 73 Cb 0.53 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 2d9h n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9h n GLY 74 N 2.48 1.51 3.73 5.00 0.00 -1.26 -5.14 105.19 111.51 2d9h n GLY 74 Ca 0.13 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2d9h n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9h s PRO 75 N 3.79 4.38 -0.08 1.61 0.04 -1.26 -4.93 135.00 138.55 2d9h s PRO 75 Ca 0.00 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.11 2d9h s PRO 75 Cb 0.00 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 2d9h s PRO 75 CO 0.00 -0.28 -0.03 0.43 0.04 0.00 0.00 177.00 177.15 2d9h n SER 76 N 2.94 3.25 -3.25 6.66 7.64 -1.26 -5.04 113.62 124.57 2d9h n SER 76 Ca 0.07 -0.03 -0.20 0.00 1.01 0.00 0.00 58.87 59.73 2d9h n SER 76 Cb 0.43 0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.93 2d9h n SER 76 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d9h n SER 77 N -2.54 -4.85 0.00 6.43 7.64 -1.26 -5.34 113.62 113.69 2d9h n SER 77 Ca -0.14 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.23 2d9h n SER 77 Cb 0.70 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 2d9h n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64