#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9x n SER 2 N 0.00 -4.30 -4.39 7.83 2.88 -1.26 -5.05 113.62 109.34 2k9x n SER 2 Ca 0.00 0.65 -0.30 0.00 -1.33 0.00 0.00 58.87 57.89 2k9x n SER 2 Cb 0.00 -2.51 -0.08 0.00 -0.75 0.00 0.00 64.21 60.88 2k9x n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2k9x s ASN 3 N -5.94 3.48 -0.44 -3.46 -0.87 -1.26 -5.12 114.94 101.33 2k9x s ASN 3 Ca 0.00 -1.71 0.06 0.00 -1.57 0.00 0.00 52.86 49.64 2k9x s ASN 3 Cb 0.00 0.60 0.20 0.00 -0.02 0.00 0.00 41.25 42.04 2k9x s ASN 3 CO 0.00 -0.94 0.55 0.00 -2.57 0.00 0.00 177.10 174.14 2k9x n HIS 4 N -1.11 -1.81 -0.71 2.20 1.44 -1.26 -5.10 115.22 108.88 2k9x n HIS 4 Ca -0.13 -2.71 0.00 0.00 -2.01 0.00 0.00 57.72 52.87 2k9x n HIS 4 Cb 0.66 0.58 0.00 0.00 0.12 0.00 0.00 29.99 31.35 2k9x n HIS 4 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2k9x n ASN 5 N 2.35 -4.69 -3.48 4.39 3.02 -1.26 -4.93 115.26 110.67 2k9x n ASN 5 Ca 0.22 0.52 0.01 0.00 -0.03 0.00 0.00 54.58 55.30 2k9x n ASN 5 Cb 0.53 -1.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.27 2k9x n ASN 5 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2k9x s HIS 6 N -1.76 -0.50 0.01 3.10 -3.43 -1.26 -4.81 115.29 106.64 2k9x s HIS 6 Ca 0.00 0.91 -0.04 0.00 -0.80 0.00 0.00 55.06 55.13 2k9x s HIS 6 Cb 0.00 0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 2k9x s HIS 6 CO 0.00 -0.25 0.22 0.42 -2.00 0.00 0.00 174.74 173.13 2k9x s ILE 7 N 1.89 5.38 -0.27 -5.38 -1.09 -0.59 -2.03 121.20 119.10 2k9x s ILE 7 Ca -0.05 -0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 58.22 2k9x s ILE 7 Cb -0.04 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2k9x s ILE 7 CO -0.16 0.31 0.11 -0.89 -1.23 0.00 0.00 174.94 173.09 2k9x s THR 8 N -1.34 4.52 -0.21 2.92 2.01 0.19 -3.39 115.64 120.33 2k9x s THR 8 Ca 0.28 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 2k9x s THR 8 Cb -0.13 -3.18 0.11 0.00 0.01 0.00 0.00 72.50 69.31 2k9x s THR 8 CO 0.19 0.24 0.33 0.54 -0.69 0.00 0.00 174.62 175.23 2k9x s VAL 9 N 1.63 -0.52 0.13 3.82 0.11 -1.11 -0.90 120.40 123.56 2k9x s VAL 9 Ca 0.06 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2k9x s VAL 9 Cb -0.16 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2k9x s VAL 9 CO 0.05 -0.08 -0.02 0.00 -3.33 0.00 0.00 175.10 171.72 2k9x s GLN 10 N 2.49 0.94 0.01 1.54 0.00 -1.11 0.61 119.66 124.12 2k9x s GLN 10 Ca 0.08 -1.42 0.08 0.00 -0.00 0.00 0.00 55.36 54.10 2k9x s GLN 10 Cb -0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 33.01 32.71 2k9x s GLN 10 CO -0.14 -0.10 -0.25 -0.06 0.00 0.00 0.00 175.29 174.74 2k9x s PHE 11 N -3.72 2.23 0.03 9.60 0.40 -0.34 -3.07 117.98 123.12 2k9x s PHE 11 Ca 0.18 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2k9x s PHE 11 Cb 0.06 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 2k9x s PHE 11 CO -0.01 0.02 -0.05 0.00 0.70 0.00 0.00 175.22 175.89 2k9x s ALA 12 N -0.67 0.34 0.00 5.36 0.00 -0.78 -4.64 121.76 121.37 2k9x s ALA 12 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2k9x s ALA 12 Cb -0.10 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2k9x s ALA 12 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2k9x n GLY 13 N 1.43 1.66 0.94 0.00 0.00 -1.26 -2.80 105.19 105.16 2k9x n GLY 13 Ca -0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 2k9x n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9x n GLY 14 N 0.00 4.99 0.08 -0.02 0.00 -1.24 -4.56 105.19 104.43 2k9x n GLY 14 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2k9x n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k9x n GLU 16 N -0.87 0.64 0.00 0.00 0.28 -1.26 -4.07 120.64 115.35 2k9x n GLU 16 Ca 0.02 0.10 0.09 0.00 -0.16 0.00 0.00 57.16 57.22 2k9x n GLU 16 Cb 0.16 -1.71 0.43 0.00 1.43 0.00 0.00 31.44 31.75 2k9x n GLU 16 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2k9x n LEU 17 N -2.75 0.00 -0.58 -1.84 4.77 -1.26 -0.02 117.00 115.32 2k9x n LEU 17 Ca -0.13 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.24 2k9x n LEU 17 Cb 0.84 -0.36 0.10 0.00 -2.33 0.00 0.00 43.42 41.68 2k9x n LEU 17 CO 0.43 -0.14 0.52 0.00 -1.33 0.00 0.00 177.39 176.88 2k9x n LEU 18 N -1.36 1.60 0.10 2.23 -0.00 -1.26 -4.45 117.00 113.87 2k9x n LEU 18 Ca 0.07 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.28 2k9x n LEU 18 Cb 0.17 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2k9x n LEU 18 CO 0.15 0.31 0.00 0.33 -0.00 0.00 0.00 177.39 178.18 2k9x n PHE 19 N 0.15 -2.16 -2.43 1.47 -0.00 -1.16 -2.53 117.46 110.80 2k9x n PHE 19 Ca 0.07 0.47 -0.01 0.00 -0.00 0.00 0.00 57.45 57.98 2k9x n PHE 19 Cb 0.31 1.11 0.02 0.00 -0.00 0.00 0.00 39.48 40.92 2k9x n PHE 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2k9x n ALA 20 N -3.09 -0.85 -4.01 3.13 0.00 -1.15 -4.80 120.51 109.75 2k9x n ALA 20 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 2k9x n ALA 20 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 18.92 2k9x n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k9x n LYS 21 N -0.30 -4.76 -0.95 0.00 4.01 0.97 -4.94 118.16 112.19 2k9x n LYS 21 Ca -0.04 0.53 -0.29 0.00 -0.51 0.00 0.00 58.31 58.00 2k9x n LYS 21 Cb 0.56 -5.35 0.22 0.00 -0.51 0.00 0.00 35.03 29.94 2k9x n LYS 21 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2k9x s GLN 22 N -6.70 -0.52 0.00 1.97 -2.07 -1.20 -4.93 119.66 106.21 2k9x s GLN 22 Ca 0.66 0.43 0.00 0.00 -1.82 0.00 0.00 55.36 54.63 2k9x s GLN 22 Cb -0.34 -1.63 0.00 0.00 -1.09 0.00 0.00 33.01 29.94 2k9x s GLN 22 CO 0.86 -3.35 0.00 0.25 -1.32 0.00 0.00 175.29 171.73 2k9x n THR 23 N -4.59 0.00 -4.17 3.63 -2.24 -1.26 -4.64 114.28 101.01 2k9x n THR 23 Ca 0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 2k9x n THR 23 Cb 0.57 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 2k9x n THR 23 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k9x s SER 24 N 0.41 1.43 0.16 3.42 1.04 -1.26 -1.19 113.70 117.70 2k9x s SER 24 Ca 0.00 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.69 2k9x s SER 24 Cb 0.00 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 2k9x s SER 24 CO 0.00 -0.25 -0.08 -0.76 0.98 0.00 0.00 173.24 173.13 2k9x s LEU 25 N -2.35 2.47 -0.10 2.42 1.43 0.20 -4.95 118.68 117.80 2k9x s LEU 25 Ca 0.04 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 52.09 2k9x s LEU 25 Cb -0.04 -0.33 0.02 0.00 0.03 0.00 0.00 46.19 45.88 2k9x s LEU 25 CO 0.00 -0.36 -0.06 -1.58 0.23 0.00 0.00 176.35 174.58 2k9x s GLN 26 N -3.77 1.28 -0.08 1.70 0.74 -1.26 -2.74 119.66 115.54 2k9x s GLN 26 Ca 0.19 -0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.39 2k9x s GLN 26 Cb 0.03 -1.39 -0.04 0.00 1.10 0.00 0.00 33.01 32.71 2k9x s GLN 26 CO 0.02 -0.25 0.10 -0.51 -0.55 0.00 0.00 175.29 174.10 2k9x s LEU 27 N 1.69 4.13 -0.27 3.68 1.43 -1.22 -4.82 118.68 123.29 2k9x s LEU 27 Ca 0.03 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.41 2k9x s LEU 27 Cb -0.13 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2k9x s LEU 27 CO -0.07 0.37 0.04 -1.81 0.23 0.00 0.00 176.35 175.11 2k9x s ASP 28 N -1.20 4.87 1.22 2.29 1.01 -1.26 -1.55 116.67 122.05 2k9x s ASP 28 Ca 0.17 -0.64 0.00 0.00 0.71 0.00 0.00 52.55 52.79 2k9x s ASP 28 Cb -0.12 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 41.98 2k9x s ASP 28 CO 0.07 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.92 2k9x n GLY 29 N 4.83 0.67 2.91 0.21 0.00 -1.26 -4.90 105.19 107.65 2k9x n GLY 29 Ca -0.16 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 2k9x n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k9x n VAL 30 N 0.00 -2.55 -4.02 1.61 0.24 -1.26 -2.57 118.33 109.78 2k9x n VAL 30 Ca 0.00 0.19 -0.43 0.00 -2.04 0.00 0.00 64.34 62.06 2k9x n VAL 30 Cb 0.00 -2.69 0.02 0.00 -1.47 0.00 0.00 33.84 29.70 2k9x n VAL 30 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2k9x n VAL 31 N 0.34 -2.96 1.75 3.34 0.24 -1.26 -4.84 118.33 114.94 2k9x n VAL 31 Ca -0.05 -0.52 0.05 0.00 -2.04 0.00 0.00 64.34 61.78 2k9x n VAL 31 Cb 0.50 -2.48 0.22 0.00 -1.47 0.00 0.00 33.84 30.61 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2k9x n PRO 32 N -4.65 1.20 0.08 7.34 -0.04 -1.06 -4.12 135.00 133.74 2k9x n PRO 32 Ca -0.14 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 2k9x n PRO 32 Cb 0.58 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2k9x n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k9x n THR 33 N -0.34 0.77 -1.37 0.52 -1.04 -1.26 -3.49 114.28 108.06 2k9x n THR 33 Ca 0.07 0.25 -0.29 0.00 -2.04 0.00 0.00 64.05 62.05 2k9x n THR 33 Cb 0.10 -1.23 -0.07 0.00 -1.82 0.00 0.00 70.33 67.31 2k9x n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k9x n GLY 34 N 2.82 4.06 3.35 3.41 0.00 -1.26 -4.64 105.19 112.93 2k9x n GLY 34 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 2k9x n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k9x s THR 35 N 0.50 0.00 0.27 2.61 2.01 -1.26 -5.02 115.64 114.75 2k9x s THR 35 Ca 0.64 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.62 2k9x s THR 35 Cb 0.26 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 72.13 2k9x s THR 35 CO -0.07 -0.01 0.06 -0.46 -0.69 0.00 0.00 174.62 173.44 2k9x n ASN 36 N 2.70 2.48 -0.31 3.53 0.23 -1.26 -0.70 115.26 121.92 2k9x n ASN 36 Ca -0.14 -2.09 -0.00 0.00 -0.53 0.00 0.00 54.58 51.81 2k9x n ASN 36 Cb 0.57 0.12 0.13 0.00 -2.08 0.00 0.00 39.78 38.52 2k9x n ASN 36 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2k9x h LEU 37 N 0.00 0.86 -0.82 -4.53 6.46 -1.30 -1.26 115.31 114.73 2k9x h LEU 37 Ca -0.21 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 57.71 2k9x h LEU 37 Cb 0.66 -0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 40.31 2k9x h LEU 37 CO 0.34 0.57 0.39 -1.13 -0.62 0.00 0.00 178.44 177.99 2k9x h ASN 38 N 1.00 0.43 0.58 1.25 -1.24 -1.78 0.16 115.58 115.98 2k9x h ASN 38 Ca 0.36 0.10 -0.15 0.00 0.71 0.00 0.00 56.30 57.32 2k9x h ASN 38 Cb 0.10 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 2k9x h ASN 38 CO -0.15 0.17 -0.68 1.23 -1.29 0.00 0.00 177.43 176.71 2k9x h GLY 39 N 0.55 0.10 0.47 1.57 0.00 -1.62 -2.57 103.07 101.57 2k9x h GLY 39 Ca 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 2k9x h GLY 39 CO -0.39 0.12 -0.16 -2.00 0.00 0.00 0.00 176.54 174.12 2k9x h LEU 40 N 0.06 -0.37 0.37 3.11 7.12 0.17 -2.77 115.31 123.00 2k9x h LEU 40 Ca -0.01 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.84 2k9x h LEU 40 Cb 1.21 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 2k9x h LEU 40 CO 0.09 0.08 -0.32 -0.37 -0.13 0.00 0.00 178.44 177.80 2k9x h VAL 41 N -0.98 0.34 -0.89 1.05 -1.51 -0.91 -1.96 116.25 111.39 2k9x h VAL 41 Ca -0.05 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.68 2k9x h VAL 41 Cb 0.50 0.34 -0.04 0.00 -2.13 0.00 0.00 31.29 29.96 2k9x h VAL 41 CO 0.07 0.00 0.65 -0.61 -1.23 0.00 0.00 177.57 176.45 2k9x h GLN 42 N -0.70 0.00 -0.16 5.19 4.15 -1.59 0.61 115.11 122.60 2k9x h GLN 42 Ca -0.03 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 2k9x h GLN 42 Cb 0.62 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2k9x h GLN 42 CO -0.03 0.00 -0.47 1.25 -1.93 0.00 0.00 178.83 177.65 2k9x h LEU 43 N 0.00 0.45 0.00 -2.39 6.46 -1.06 0.11 115.31 118.89 2k9x h LEU 43 Ca 0.42 -0.22 -0.18 0.00 -0.12 0.00 0.00 57.88 57.79 2k9x h LEU 43 Cb 1.72 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.49 2k9x h LEU 43 CO -0.00 0.86 -1.95 0.00 -0.62 0.00 0.00 178.44 176.73 2k9x n LEU 44 N -3.98 0.26 -0.04 2.25 -0.00 0.65 0.13 117.00 116.26 2k9x n LEU 44 Ca -0.02 0.11 -0.12 0.00 -0.00 0.00 0.00 56.01 55.98 2k9x n LEU 44 Cb 0.54 0.20 -0.14 0.00 -0.00 0.00 0.00 43.42 44.02 2k9x n LEU 44 CO 0.44 0.21 -0.78 2.29 -0.00 0.00 0.00 177.39 179.56 2k9x n LYS 45 N -2.62 0.67 -0.04 1.47 2.85 0.18 -1.45 118.16 119.22 2k9x n LYS 45 Ca -0.16 0.22 -0.01 0.00 -1.05 0.00 0.00 58.31 57.31 2k9x n LYS 45 Cb 0.86 -1.70 -0.09 0.00 -0.65 0.00 0.00 35.03 33.44 2k9x n LYS 45 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2k9x n THR 46 N -3.09 0.48 -0.02 0.58 -1.04 0.30 -4.28 114.28 107.20 2k9x n THR 46 Ca -0.26 -0.41 0.03 0.00 -2.04 0.00 0.00 64.05 61.38 2k9x n THR 46 Cb 1.07 -0.33 -0.09 0.00 -1.82 0.00 0.00 70.33 69.16 2k9x n THR 46 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2k9x n ASN 47 N -2.23 2.38 -2.56 8.00 3.02 -0.62 -4.72 115.26 118.54 2k9x n ASN 47 Ca -0.12 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.35 2k9x n ASN 47 Cb 0.66 1.34 0.04 0.00 -0.61 0.00 0.00 39.78 41.21 2k9x n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k9x n TYR 48 N -2.02 1.70 -3.80 3.10 9.36 0.12 -4.90 117.16 120.72 2k9x n TYR 48 Ca -0.06 -2.14 -0.35 0.00 3.32 0.00 0.00 57.90 58.67 2k9x n TYR 48 Cb 0.43 -0.26 -0.05 0.00 -0.63 0.00 0.00 39.34 38.82 2k9x n TYR 48 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2k9x s VAL 49 N -4.00 5.37 -0.08 2.97 0.11 -0.53 -4.64 120.40 119.59 2k9x s VAL 49 Ca 0.35 0.18 0.17 0.00 -2.93 0.00 0.00 61.98 59.74 2k9x s VAL 49 Cb 0.35 -3.52 0.36 0.00 -1.53 0.00 0.00 36.38 32.04 2k9x s VAL 49 CO -0.02 0.45 1.16 0.29 -3.33 0.00 0.00 175.10 173.66 2k9x n LYS 50 N 1.40 0.63 -0.81 1.54 5.02 -1.07 -5.03 118.16 119.84 2k9x n LYS 50 Ca -0.14 -2.35 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 2k9x n LYS 50 Cb 0.53 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 2k9x n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k9x n GLU 51 N -0.26 0.00 -1.57 1.97 4.07 -1.05 -4.52 120.64 119.27 2k9x n GLU 51 Ca 0.10 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.76 2k9x n GLU 51 Cb 0.90 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 32.24 2k9x n GLU 51 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k9x n ARG 52 N 0.00 1.85 0.28 5.31 3.00 -1.26 -4.83 116.66 121.00 2k9x n ARG 52 Ca 0.00 0.52 0.15 0.00 -0.01 0.00 0.00 57.85 58.51 2k9x n ARG 52 Cb 0.00 -3.05 0.87 0.00 0.00 0.00 0.00 32.46 30.28 2k9x n ARG 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2k9x h PRO 53 N 14.07 0.00 -0.28 5.56 0.13 -1.97 -0.51 132.00 149.00 2k9x h PRO 53 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k9x h PRO 53 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k9x h PRO 53 CO 0.97 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.49 2k9x n ASP 54 N -3.93 1.97 0.07 1.44 9.92 -1.26 -3.47 116.55 121.28 2k9x n ASP 54 Ca -0.02 -1.86 0.12 0.00 -0.53 0.00 0.00 54.79 52.50 2k9x n ASP 54 Cb 0.12 -0.19 0.13 0.00 -0.64 0.00 0.00 41.12 40.54 2k9x n ASP 54 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2k9x h LEU 55 N 2.38 0.00 0.00 0.64 8.10 -1.46 -3.40 115.31 121.57 2k9x h LEU 55 Ca 0.00 -0.19 -0.10 0.00 0.11 0.00 0.00 57.88 57.69 2k9x h LEU 55 Cb 0.53 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 2k9x h LEU 55 CO 0.00 0.10 -1.36 0.00 -4.11 0.00 0.00 178.44 173.07 2k9x n LEU 56 N -2.20 1.18 -4.71 0.17 -0.00 -1.25 -4.95 117.00 105.24 2k9x n LEU 56 Ca 0.03 0.05 -0.38 0.00 -0.00 0.00 0.00 56.01 55.70 2k9x n LEU 56 Cb 0.46 -0.20 0.05 0.00 -0.00 0.00 0.00 43.42 43.73 2k9x n LEU 56 CO 0.37 0.27 0.87 1.33 -0.00 0.00 0.00 177.39 180.23 2k9x n VAL 57 N -3.12 3.83 0.24 1.47 0.24 -1.23 0.80 118.33 120.57 2k9x n VAL 57 Ca -0.12 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.55 2k9x n VAL 57 Cb 0.60 -1.52 -0.07 0.00 -1.47 0.00 0.00 33.84 31.38 2k9x n VAL 57 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2k9x h ASP 58 N 1.17 -0.54 0.00 -1.34 3.58 0.21 -3.33 116.42 116.18 2k9x h ASP 58 Ca -0.50 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2k9x h ASP 58 Cb 1.32 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2k9x h ASP 58 CO 0.55 -0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.76 2k9x n GLN 59 N -5.23 0.00 -0.02 0.28 6.02 -1.26 -4.78 117.38 112.38 2k9x n GLN 59 Ca -0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2k9x n GLN 59 Cb 0.30 0.00 0.26 0.00 1.02 0.00 0.00 30.24 31.82 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2k9x n THR 60 N -1.40 0.06 -1.87 5.09 -2.24 -1.26 -4.87 114.28 107.80 2k9x n THR 60 Ca 0.00 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 2k9x n THR 60 Cb 0.00 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 2k9x n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k9x n GLY 61 N 0.71 0.78 0.07 3.38 0.00 -1.26 -4.79 105.19 104.09 2k9x n GLY 61 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2k9x n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k9x n GLN 62 N -2.45 0.49 -4.30 1.61 7.27 -1.26 -4.92 117.38 113.81 2k9x n GLN 62 Ca -0.18 0.08 -0.16 0.00 0.07 0.00 0.00 57.00 56.80 2k9x n GLN 62 Cb 0.60 -1.29 -0.10 0.00 2.41 0.00 0.00 30.24 31.86 2k9x n GLN 62 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2k9x s THR 63 N -2.29 0.95 0.61 1.69 -1.32 -1.26 -4.73 115.64 109.29 2k9x s THR 63 Ca -0.19 -2.02 -0.13 0.00 -1.21 0.00 0.00 61.69 58.14 2k9x s THR 63 Cb 0.05 -2.26 -0.03 0.00 -1.51 0.00 0.00 72.50 68.74 2k9x s THR 63 CO 0.35 -0.38 1.03 -0.76 -2.21 0.00 0.00 174.62 172.65 2k9x s LEU 64 N -3.26 3.34 0.72 9.08 1.43 -1.26 0.74 118.68 129.47 2k9x s LEU 64 Ca 0.27 1.58 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 2k9x s LEU 64 Cb 0.06 -4.50 0.03 0.00 0.03 0.00 0.00 46.19 41.81 2k9x s LEU 64 CO 0.07 -1.02 1.24 0.00 0.23 0.00 0.00 176.35 176.87 2k9x s ARG 65 N -4.69 2.14 0.48 1.70 1.70 0.24 -3.90 118.95 116.62 2k9x s ARG 65 Ca 0.58 1.87 0.28 0.00 -0.47 0.00 0.00 55.73 57.99 2k9x s ARG 65 Cb -0.12 -1.82 1.35 0.00 -0.57 0.00 0.00 34.95 33.79 2k9x s ARG 65 CO 0.46 -1.86 1.81 -1.35 -1.08 0.00 0.00 175.30 173.27 2k9x h PRO 66 N -0.17 0.16 -0.93 3.89 0.11 -1.93 -0.33 132.00 132.80 2k9x h PRO 66 Ca -0.48 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.84 2k9x h PRO 66 Cb 1.31 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 2k9x h PRO 66 CO 0.50 0.11 0.62 0.78 -0.21 0.00 0.00 178.00 179.80 2k9x h GLY 67 N 0.16 0.79 -4.62 -0.55 0.00 -1.90 -3.41 103.07 93.54 2k9x h GLY 67 Ca 0.55 -0.16 -0.60 0.00 0.00 0.00 0.00 47.33 47.12 2k9x h GLY 67 CO -0.13 -0.03 -0.38 -0.42 0.00 0.00 0.00 176.54 175.59 2k9x s ILE 68 N -5.36 5.26 -0.21 2.60 1.01 -0.13 -0.32 121.20 124.04 2k9x s ILE 68 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 2k9x s ILE 68 Cb 0.23 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 39.10 2k9x s ILE 68 CO 0.78 0.14 -0.13 -0.76 0.00 0.00 0.00 174.94 174.97 2k9x s LEU 69 N -2.40 2.57 -0.11 2.97 1.43 -1.06 -4.84 118.68 117.24 2k9x s LEU 69 Ca 0.36 -0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 2k9x s LEU 69 Cb -0.13 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2k9x s LEU 69 CO 0.24 -0.04 0.54 0.68 0.23 0.00 0.00 176.35 178.00 2k9x s VAL 70 N 1.33 5.14 -0.08 -1.59 -7.23 -1.26 -3.47 120.40 113.25 2k9x s VAL 70 Ca 0.04 1.09 0.03 0.00 -1.81 0.00 0.00 61.98 61.32 2k9x s VAL 70 Cb -0.14 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 32.92 2k9x s VAL 70 CO -0.09 0.29 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.07 2k9x s LEU 71 N 0.76 1.82 -0.50 1.32 1.43 -1.21 -2.55 118.68 119.75 2k9x s LEU 71 Ca 0.29 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 2k9x s LEU 71 Cb -0.16 -1.04 0.13 0.00 0.03 0.00 0.00 46.19 45.15 2k9x s LEU 71 CO 0.12 0.09 0.40 -0.69 0.23 0.00 0.00 176.35 176.50 2k9x s VAL 72 N 0.50 4.50 -1.14 -1.59 1.01 0.28 -3.23 120.40 120.74 2k9x s VAL 72 Ca -0.15 -1.76 -0.04 0.00 0.00 0.00 0.00 61.98 60.02 2k9x s VAL 72 Cb -0.16 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2k9x s VAL 72 CO 0.05 -0.81 0.92 0.59 0.00 0.00 0.00 175.10 175.85 2k9x n ASN 73 N 4.94 -4.36 -3.36 3.32 4.13 -0.53 -2.82 115.26 116.58 2k9x n ASN 73 Ca -0.08 -0.71 -0.21 0.00 1.68 0.00 0.00 54.58 55.26 2k9x n ASN 73 Cb 0.41 -4.94 0.08 0.00 -1.54 0.00 0.00 39.78 33.78 2k9x n ASN 73 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k9x n SER 74 N -3.14 -5.26 -3.65 6.41 2.88 -1.26 -5.00 113.62 104.60 2k9x n SER 74 Ca -0.17 -0.52 -0.02 0.00 -1.33 0.00 0.00 58.87 56.83 2k9x n SER 74 Cb 0.64 -4.74 -0.05 0.00 -0.75 0.00 0.00 64.21 59.31 2k9x n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9x n ASP 76 N 5.22 1.67 0.12 0.00 8.00 -1.26 0.10 116.55 130.41 2k9x n ASP 76 Ca -0.14 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.49 2k9x n ASP 76 Cb 0.51 -1.22 0.01 0.00 -0.02 0.00 0.00 41.12 40.40 2k9x n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9x h ALA 77 N 4.25 0.62 0.00 2.24 0.00 -1.84 -3.25 119.26 121.28 2k9x h ALA 77 Ca -0.46 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 53.82 2k9x h ALA 77 Cb 1.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k9x h ALA 77 CO 0.76 0.76 -0.35 0.93 0.00 0.00 0.00 179.25 181.35 2k9x h GLU 78 N 0.00 0.00 0.00 0.00 4.39 -1.83 0.68 114.58 117.82 2k9x h GLU 78 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2k9x h GLU 78 Cb 1.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2k9x h GLU 78 CO 0.08 0.35 -0.10 0.28 -1.16 0.00 0.00 179.01 178.46 2k9x h VAL 79 N 0.00 1.03 0.00 3.13 2.07 -1.95 -3.30 116.25 117.24 2k9x h VAL 79 Ca -0.00 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 2k9x h VAL 79 Cb 0.91 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2k9x h VAL 79 CO 0.05 0.10 -1.56 1.33 0.02 0.00 0.00 177.57 177.51 2k9x n VAL 80 N -4.36 0.56 0.00 2.57 0.24 -1.13 -5.03 118.33 111.18 2k9x n VAL 80 Ca -0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2k9x n VAL 80 Cb 0.18 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 2k9x n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k9x n GLY 81 N 3.00 -0.13 0.00 7.63 0.00 0.16 -5.07 105.19 110.78 2k9x n GLY 81 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k9x n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9x n GLY 82 N 1.65 3.15 1.03 -0.02 0.00 0.19 -4.68 105.19 106.50 2k9x n GLY 82 Ca 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 2k9x n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2k9x n MET 83 N 0.00 0.00 -0.68 1.61 0.00 -1.26 -4.67 117.12 112.12 2k9x n MET 83 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 57.70 56.64 2k9x n MET 83 Cb 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 33.22 33.62 2k9x n MET 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2k9x n ASP 84 N 0.06 0.09 -4.66 3.17 2.03 -1.26 -2.34 116.55 113.63 2k9x n ASP 84 Ca -0.22 -1.77 -0.43 0.00 0.52 0.00 0.00 54.79 52.89 2k9x n ASP 84 Cb 0.74 -0.14 -0.02 0.00 -0.72 0.00 0.00 41.12 40.98 2k9x n ASP 84 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2k9x s TYR 85 N 0.00 2.58 0.11 -0.67 6.14 -1.26 -4.56 117.35 119.69 2k9x s TYR 85 Ca 0.05 0.74 -0.31 0.00 0.64 0.00 0.00 57.07 58.19 2k9x s TYR 85 Cb 0.06 -3.64 -0.10 0.00 0.42 0.00 0.00 41.96 38.70 2k9x s TYR 85 CO -0.03 -2.42 1.77 0.14 0.64 0.00 0.00 175.55 175.66 2k9x s VAL 86 N 3.59 2.66 0.75 3.14 -7.23 -1.26 -1.05 120.40 121.00 2k9x s VAL 86 Ca 0.61 0.18 -0.10 0.00 -1.81 0.00 0.00 61.98 60.86 2k9x s VAL 86 Cb -0.26 -3.11 0.06 0.00 0.56 0.00 0.00 36.38 33.63 2k9x s VAL 86 CO 0.20 0.00 1.10 -0.22 -0.31 0.00 0.00 175.10 175.87 2k9x s LEU 87 N 2.65 2.70 0.14 1.32 2.96 0.12 -4.95 118.68 123.61 2k9x s LEU 87 Ca 0.79 0.70 -0.25 0.00 -0.22 0.00 0.00 54.13 55.14 2k9x s LEU 87 Cb -0.44 -3.30 0.07 0.00 0.50 0.00 0.00 46.19 43.02 2k9x s LEU 87 CO 0.35 -1.69 0.84 0.21 -1.32 0.00 0.00 176.35 174.74 2k9x s ASN 88 N -4.52 -0.31 -0.47 3.68 2.47 -1.23 -4.46 114.94 110.11 2k9x s ASN 88 Ca 0.60 -0.27 -0.28 0.00 0.42 0.00 0.00 52.86 53.33 2k9x s ASN 88 Cb -0.11 0.53 -0.08 0.00 -1.45 0.00 0.00 41.25 40.13 2k9x s ASN 88 CO 0.47 -0.93 2.38 -0.67 -3.72 0.00 0.00 177.10 174.64 2k9x n ASP 89 N -0.40 2.31 0.00 -4.21 -0.08 -1.26 -1.05 116.55 111.87 2k9x n ASP 89 Ca -0.08 -0.21 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 2k9x n ASP 89 Cb 0.61 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.59 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k9x n GLY 90 N 6.06 1.63 3.75 0.27 0.00 -0.86 -4.89 105.19 111.15 2k9x n GLY 90 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 2k9x n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k9x s ASP 91 N -2.00 7.42 -0.26 1.61 2.15 -0.21 -4.67 116.67 120.71 2k9x s ASP 91 Ca 0.00 2.09 -0.03 0.00 0.43 0.00 0.00 52.55 55.04 2k9x s ASP 91 Cb 0.00 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 40.03 2k9x s ASP 91 CO 0.00 -0.04 -0.02 -0.89 -0.17 0.00 0.00 175.17 174.05 2k9x s THR 92 N -0.92 3.20 -0.22 1.71 2.01 -1.24 0.52 115.64 120.69 2k9x s THR 92 Ca 0.44 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2k9x s THR 92 Cb -0.29 -2.63 0.06 0.00 0.01 0.00 0.00 72.50 69.65 2k9x s THR 92 CO 0.36 0.17 -0.07 0.54 -0.69 0.00 0.00 174.62 174.93 2k9x s VAL 93 N 1.38 1.56 0.13 3.82 0.11 -0.07 -1.45 120.40 125.88 2k9x s VAL 93 Ca 0.01 -1.17 0.08 0.00 -2.93 0.00 0.00 61.98 57.98 2k9x s VAL 93 Cb -0.17 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 2k9x s VAL 93 CO -0.02 -0.03 -0.14 -1.61 -3.33 0.00 0.00 175.10 169.97 2k9x s GLU 94 N 1.39 1.95 -0.27 1.54 2.02 -1.20 -2.77 118.70 121.36 2k9x s GLU 94 Ca -0.05 -1.17 -0.00 0.00 0.02 0.00 0.00 54.97 53.77 2k9x s GLU 94 Cb -0.18 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 31.96 2k9x s GLU 94 CO -0.07 0.47 0.04 -0.06 0.02 0.00 0.00 175.26 175.67 2k9x s PHE 95 N -1.34 1.98 -0.47 1.61 0.40 -1.17 -3.28 117.98 115.70 2k9x s PHE 95 Ca 0.21 -1.72 -0.10 0.00 -0.60 0.00 0.00 56.93 54.73 2k9x s PHE 95 Cb -0.10 -1.69 0.12 0.00 0.51 0.00 0.00 43.02 41.86 2k9x s PHE 95 CO 0.13 -0.81 0.35 0.42 0.70 0.00 0.00 175.22 176.01 2k9x s ILE 96 N 1.53 4.30 -0.51 0.64 1.01 -1.23 -1.86 121.20 125.07 2k9x s ILE 96 Ca 0.04 -1.73 -0.28 0.00 0.00 0.00 0.00 60.65 58.68 2k9x s ILE 96 Cb -0.18 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.50 2k9x s ILE 96 CO -0.15 -0.76 1.42 -0.44 0.00 0.00 0.00 174.94 175.00 2k9x s SER 97 N 2.70 6.18 -0.10 3.58 0.01 -1.12 -2.55 113.70 122.40 2k9x s SER 97 Ca 0.05 0.46 0.08 0.00 1.31 0.00 0.00 55.95 57.86 2k9x s SER 97 Cb -0.26 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.30 2k9x s SER 97 CO -0.00 -1.63 0.03 0.35 0.41 0.00 0.00 173.24 172.39 2k9x n THR 98 N 6.94 0.68 -1.93 1.44 -2.24 0.56 -3.72 114.28 116.02 2k9x n THR 98 Ca 0.14 -0.41 0.05 0.00 -2.27 0.00 0.00 64.05 61.56 2k9x n THR 98 Cb 0.49 -0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 67.96 2k9x n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k9x n LEU 99 N -2.39 0.00 -3.34 3.22 -0.00 -0.52 -4.86 117.00 109.11 2k9x n LEU 99 Ca -0.16 0.43 -0.12 0.00 -0.00 0.00 0.00 56.01 56.16 2k9x n LEU 99 Cb 0.82 -1.31 -0.07 0.00 -0.00 0.00 0.00 43.42 42.86 2k9x n LEU 99 CO 0.21 -1.25 -0.11 -1.00 -0.00 0.00 0.00 177.39 175.24 2k9x s HIS 100 N -0.81 -0.81 0.01 1.47 3.76 -1.26 -4.91 115.29 112.75 2k9x s HIS 100 Ca 0.00 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 2k9x s HIS 100 Cb 0.00 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.42 2k9x s HIS 100 CO 0.00 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 173.33 2k9x n GLY 101 N 5.32 -0.11 0.28 -2.22 0.00 -1.26 -5.15 105.19 102.04 2k9x n GLY 101 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93