#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 -5.18 -0.02 6.12 7.64 -1.26 -4.31 113.62 116.62 2k9x n SER 2 Ca 0.00 0.21 -0.17 0.00 1.01 0.00 0.00 58.87 59.92 2k9x n SER 2 Cb 0.00 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.53 2k9x n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k9x h ASN 3 N -0.18 0.89 -4.64 6.43 -1.07 -2.01 -3.47 115.58 111.52 2k9x h ASN 3 Ca 0.00 -0.64 -0.38 0.00 0.07 0.00 0.00 56.30 55.35 2k9x h ASN 3 Cb 0.18 -0.26 0.00 0.00 -2.07 0.00 0.00 38.32 36.17 2k9x h ASN 3 CO 0.00 1.39 -0.56 1.57 0.07 0.00 0.00 177.43 179.90 2k9x n HIS 4 N -3.98 -1.80 -4.11 4.14 -0.00 -1.26 -4.86 115.22 103.34 2k9x n HIS 4 Ca -0.08 0.42 -0.14 0.00 0.46 0.00 0.00 57.72 58.38 2k9x n HIS 4 Cb 0.74 -3.80 -0.13 0.00 -0.12 0.00 0.00 29.99 26.68 2k9x n HIS 4 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 2k9x s ASN 5 N -2.60 0.76 -0.30 0.26 2.47 -1.26 -4.99 114.94 109.27 2k9x s ASN 5 Ca 0.29 -0.35 -0.13 0.00 0.42 0.00 0.00 52.86 53.09 2k9x s ASN 5 Cb -0.14 -0.01 0.18 0.00 -1.45 0.00 0.00 41.25 39.83 2k9x s ASN 5 CO 0.36 -0.08 1.06 -1.00 -3.72 0.00 0.00 177.10 173.72 2k9x s HIS 6 N -0.82 -0.47 0.36 0.43 3.76 -1.26 -4.84 115.29 112.45 2k9x s HIS 6 Ca -0.05 0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 55.22 2k9x s HIS 6 Cb -0.06 0.13 -0.05 0.00 1.11 0.00 0.00 32.58 33.71 2k9x s HIS 6 CO 0.00 -0.26 0.63 0.42 -0.85 0.00 0.00 174.74 174.68 2k9x s ILE 7 N 2.96 4.99 -0.42 0.60 -1.09 -1.14 -3.19 121.20 123.91 2k9x s ILE 7 Ca 0.10 0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 2k9x s ILE 7 Cb -0.06 -3.79 0.12 0.00 -1.58 0.00 0.00 42.46 37.14 2k9x s ILE 7 CO -0.16 -0.52 0.18 -0.89 -1.23 0.00 0.00 174.94 172.32 2k9x s THR 8 N -2.32 1.88 -0.37 2.92 2.01 -1.21 -3.83 115.64 114.72 2k9x s THR 8 Ca 0.45 -2.57 -0.03 0.00 0.31 0.00 0.00 61.69 59.85 2k9x s THR 8 Cb -0.10 -2.34 0.09 0.00 0.01 0.00 0.00 72.50 70.15 2k9x s THR 8 CO 0.35 -0.77 0.14 0.54 -0.69 0.00 0.00 174.62 174.19 2k9x s VAL 9 N 0.47 3.25 0.24 3.82 0.11 -0.20 -0.98 120.40 127.12 2k9x s VAL 9 Ca 0.15 -1.79 0.03 0.00 -2.93 0.00 0.00 61.98 57.44 2k9x s VAL 9 Cb -0.23 -3.10 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 2k9x s VAL 9 CO -0.05 -0.49 0.02 0.00 -3.33 0.00 0.00 175.10 171.25 2k9x s GLN 10 N 1.19 1.37 0.27 1.54 0.00 -1.14 0.13 119.66 123.03 2k9x s GLN 10 Ca 0.04 -1.71 0.07 0.00 -0.00 0.00 0.00 55.36 53.76 2k9x s GLN 10 Cb -0.22 -0.55 -0.06 0.00 0.00 0.00 0.00 33.01 32.19 2k9x s GLN 10 CO -0.03 -0.15 -0.09 -0.06 0.00 0.00 0.00 175.29 174.96 2k9x s PHE 11 N -3.49 1.96 -0.30 9.60 0.40 -0.48 -3.17 117.98 122.50 2k9x s PHE 11 Ca 0.31 -0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 55.83 2k9x s PHE 11 Cb 0.07 -1.06 0.18 0.00 0.51 0.00 0.00 43.02 42.71 2k9x s PHE 11 CO 0.10 0.35 1.16 0.00 0.70 0.00 0.00 175.22 177.53 2k9x s ALA 12 N -2.94 -3.08 0.00 5.36 0.00 -1.14 -4.88 121.76 115.08 2k9x s ALA 12 Ca 0.28 1.87 0.00 0.00 0.00 0.00 0.00 51.96 54.11 2k9x s ALA 12 Cb 0.02 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2k9x s ALA 12 CO 0.11 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2k9x n GLY 13 N 4.77 0.70 2.33 0.00 0.00 -1.26 -3.92 105.19 107.81 2k9x n GLY 13 Ca -0.07 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 0.47 0.21 -0.02 0.00 -1.26 -3.12 105.19 101.47 2k9x n GLY 14 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.74 2k9x n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k9x h GLU 16 N 0.81 0.00 0.00 0.00 5.08 -1.89 -3.28 114.58 115.29 2k9x h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k9x h GLU 16 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k9x h GLU 16 CO 0.00 0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 2k9x n LEU 17 N -3.02 0.00 0.00 1.33 4.32 -1.26 -0.42 117.00 117.94 2k9x n LEU 17 Ca -0.01 0.25 0.02 0.00 -0.02 0.00 0.00 56.01 56.25 2k9x n LEU 17 Cb 0.69 -0.25 0.11 0.00 -1.62 0.00 0.00 43.42 42.35 2k9x n LEU 17 CO 0.40 -0.13 0.55 0.18 -1.22 0.00 0.00 177.39 177.17 2k9x n LEU 18 N -1.25 0.00 0.13 2.23 4.77 -1.24 -4.43 117.00 117.21 2k9x n LEU 18 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2k9x n LEU 18 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2k9x n LEU 18 CO 0.11 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.50 2k9x n PHE 19 N -0.56 -2.80 -2.40 -1.77 -0.00 -1.16 -3.26 117.46 105.51 2k9x n PHE 19 Ca 0.03 0.68 -0.01 0.00 -0.00 0.00 0.00 57.45 58.15 2k9x n PHE 19 Cb 0.01 1.66 0.03 0.00 -0.00 0.00 0.00 39.48 41.18 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 -3.14 -0.64 -3.31 3.13 0.00 -1.19 -4.28 120.51 111.08 2k9x n ALA 20 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 2k9x n ALA 20 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.34 -4.05 -1.96 0.00 4.01 0.44 -4.96 118.16 111.30 2k9x n LYS 21 Ca -0.05 0.62 -0.30 0.00 -0.51 0.00 0.00 58.31 58.07 2k9x n LYS 21 Cb 0.56 -5.39 0.19 0.00 -0.51 0.00 0.00 35.03 29.88 2k9x n LYS 21 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2k9x s GLN 22 N -5.97 0.62 0.00 1.97 -1.52 -1.24 -4.94 119.66 108.58 2k9x s GLN 22 Ca 0.39 -0.46 0.00 0.00 -1.95 0.00 0.00 55.36 53.34 2k9x s GLN 22 Cb -0.20 -1.86 0.00 0.00 -0.22 0.00 0.00 33.01 30.73 2k9x s GLN 22 CO 0.48 -2.42 0.00 0.25 -0.25 0.00 0.00 175.29 173.36 2k9x n THR 23 N -3.75 0.00 -4.23 -0.19 -2.24 -1.26 -4.72 114.28 97.89 2k9x n THR 23 Ca 0.16 0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.97 2k9x n THR 23 Cb 0.59 -1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.45 1.57 0.03 3.42 1.04 -1.26 -1.38 113.70 114.66 2k9x s SER 24 Ca 0.00 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 55.37 2k9x s SER 24 Cb 0.00 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 2k9x s SER 24 CO 0.00 -0.39 0.02 -0.76 0.98 0.00 0.00 173.24 173.09 2k9x s LEU 25 N -3.14 2.08 -0.09 2.42 1.02 0.12 -4.93 118.68 116.16 2k9x s LEU 25 Ca 0.16 -0.55 -0.00 0.00 0.02 0.00 0.00 54.13 53.76 2k9x s LEU 25 Cb 0.04 0.32 0.02 0.00 0.02 0.00 0.00 46.19 46.59 2k9x s LEU 25 CO -0.00 -0.41 -0.06 -1.10 0.02 0.00 0.00 176.35 174.79 2k9x s GLN 26 N -2.13 1.30 -0.07 1.70 -0.21 -1.25 -1.03 119.66 117.97 2k9x s GLN 26 Ca -0.09 -0.19 -0.14 0.00 0.02 0.00 0.00 55.36 54.96 2k9x s GLN 26 Cb -0.05 -1.37 -0.05 0.00 1.00 0.00 0.00 33.01 32.54 2k9x s GLN 26 CO -0.03 -0.22 0.35 -0.51 -2.12 0.00 0.00 175.29 172.77 2k9x s LEU 27 N 1.54 4.38 -0.23 2.90 1.43 -1.25 -4.82 118.68 122.62 2k9x s LEU 27 Ca 0.01 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.87 2k9x s LEU 27 Cb -0.13 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.64 2k9x s LEU 27 CO -0.05 0.24 -0.10 -1.81 0.23 0.00 0.00 176.35 174.86 2k9x s ASP 28 N -0.48 4.03 -0.09 2.29 1.01 -1.26 -2.87 116.67 119.30 2k9x s ASP 28 Ca 0.21 -0.87 -0.08 0.00 0.71 0.00 0.00 52.55 52.52 2k9x s ASP 28 Cb -0.15 -1.60 0.02 0.00 1.01 0.00 0.00 42.92 42.20 2k9x s ASP 28 CO 0.09 -0.10 0.23 -0.83 0.21 0.00 0.00 175.17 174.78 2k9x s GLY 29 N 1.29 -0.17 0.17 0.21 0.00 -1.26 -5.05 107.32 102.50 2k9x s GLY 29 Ca 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 44.72 45.28 2k9x s GLY 29 CO -0.07 0.58 1.66 -0.39 0.00 0.00 0.00 173.10 174.88 2k9x h VAL 30 N 4.80 1.26 -1.77 1.40 -1.51 -1.99 -3.38 116.25 115.06 2k9x h VAL 30 Ca -0.26 -0.98 -0.50 0.00 -1.23 0.00 0.00 66.70 63.74 2k9x h VAL 30 Cb 1.19 0.77 -0.34 0.00 -2.13 0.00 0.00 31.29 30.78 2k9x h VAL 30 CO 0.36 0.36 -0.96 0.52 -1.23 0.00 0.00 177.57 176.62 2k9x n VAL 31 N -4.33 -0.70 1.86 7.19 0.31 -1.26 -4.96 118.33 116.45 2k9x n VAL 31 Ca 0.03 -3.36 0.08 0.00 -0.01 0.00 0.00 64.34 61.08 2k9x n VAL 31 Cb 0.27 -1.26 0.45 0.00 -0.91 0.00 0.00 33.84 32.40 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2k9x n PRO 32 N 1.88 1.13 -0.86 5.55 -0.04 -1.26 -4.91 135.00 136.49 2k9x n PRO 32 Ca 0.21 -0.19 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 2k9x n PRO 32 Cb 0.53 -1.27 0.19 0.00 -0.04 0.00 0.00 33.50 32.91 2k9x n PRO 32 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k9x s THR 33 N -1.96 2.23 0.00 0.52 2.01 -1.26 -3.83 115.64 113.35 2k9x s THR 33 Ca 0.25 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2k9x s THR 33 Cb 0.12 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.32 2k9x s THR 33 CO 0.20 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 2k9x n GLY 34 N -0.14 2.96 3.88 4.40 0.00 -1.25 -5.00 105.19 110.04 2k9x n GLY 34 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.61 4.77 0.40 2.61 2.01 -1.25 -4.89 115.64 116.68 2k9x s THR 35 Ca 0.00 0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.68 2k9x s THR 35 Cb 0.00 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2k9x s THR 35 CO 0.00 -0.92 0.16 -0.46 -0.69 0.00 0.00 174.62 172.71 2k9x n ASN 36 N -2.29 0.98 -0.13 3.53 6.94 -1.26 0.73 115.26 123.76 2k9x n ASN 36 Ca 0.04 -3.18 -0.04 0.00 -0.02 0.00 0.00 54.58 51.38 2k9x n ASN 36 Cb 0.54 1.11 0.04 0.00 -2.36 0.00 0.00 39.78 39.12 2k9x n ASN 36 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2k9x h LEU 37 N 0.00 -0.11 -1.37 -4.53 6.46 -1.38 0.17 115.31 114.55 2k9x h LEU 37 Ca -0.31 0.09 0.17 0.00 -0.12 0.00 0.00 57.88 57.72 2k9x h LEU 37 Cb 1.21 0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 41.22 2k9x h LEU 37 CO 0.48 -0.02 0.58 -1.13 -0.62 0.00 0.00 178.44 177.73 2k9x h ASN 38 N 0.15 0.55 0.89 1.25 -0.73 -1.87 0.13 115.58 115.96 2k9x h ASN 38 Ca 0.22 0.05 -0.22 0.00 1.87 0.00 0.00 56.30 58.22 2k9x h ASN 38 Cb 0.30 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 2k9x h ASN 38 CO -0.33 0.25 -1.01 1.23 -0.37 0.00 0.00 177.43 177.20 2k9x h GLY 39 N 0.57 0.07 0.66 1.57 0.00 -1.41 -2.92 103.07 101.61 2k9x h GLY 39 Ca 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 2k9x h GLY 39 CO -0.21 0.14 -0.05 -2.00 0.00 0.00 0.00 176.54 174.43 2k9x h LEU 40 N 0.02 -0.11 0.72 3.11 7.12 0.18 -1.75 115.31 124.60 2k9x h LEU 40 Ca -0.03 -0.29 -0.04 0.00 0.13 0.00 0.00 57.88 57.65 2k9x h LEU 40 Cb 1.75 0.03 0.01 0.00 -0.53 0.00 0.00 40.66 41.92 2k9x h LEU 40 CO 0.14 0.23 -0.35 -0.37 -0.13 0.00 0.00 178.44 177.97 2k9x h VAL 41 N -0.48 0.27 -0.69 1.05 -1.51 -1.16 -2.28 116.25 111.45 2k9x h VAL 41 Ca -0.01 -0.05 0.20 0.00 -1.23 0.00 0.00 66.70 65.61 2k9x h VAL 41 Cb 0.39 0.29 -0.03 0.00 -2.13 0.00 0.00 31.29 29.81 2k9x h VAL 41 CO 0.02 0.01 0.52 1.56 -1.23 0.00 0.00 177.57 178.45 2k9x h GLN 42 N -1.01 0.00 0.00 5.19 4.20 -1.60 0.30 115.11 122.19 2k9x h GLN 42 Ca -0.10 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 2k9x h GLN 42 Cb 0.75 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2k9x h GLN 42 CO 0.16 0.00 -0.55 1.25 -0.67 0.00 0.00 178.83 179.02 2k9x h LEU 43 N 0.00 0.00 0.03 1.46 5.85 -0.83 -2.66 115.31 119.16 2k9x h LEU 43 Ca 0.33 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.67 2k9x h LEU 43 Cb 1.37 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 2k9x h LEU 43 CO -0.00 0.55 -2.31 0.00 -0.34 0.00 0.00 178.44 176.34 2k9x n LEU 44 N -3.54 2.51 0.00 2.25 -0.00 0.71 -4.00 117.00 114.93 2k9x n LEU 44 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2k9x n LEU 44 Cb 0.63 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2k9x n LEU 44 CO 0.40 0.85 0.00 2.29 -0.00 0.00 0.00 177.39 180.93 2k9x n LYS 45 N -3.26 0.00 0.16 1.47 2.85 0.67 -0.67 118.16 119.38 2k9x n LYS 45 Ca -0.40 0.36 0.19 0.00 -1.05 0.00 0.00 58.31 57.41 2k9x n LYS 45 Cb 1.02 -0.85 0.77 0.00 -0.65 0.00 0.00 35.03 35.32 2k9x n LYS 45 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2k9x h THR 46 N 0.00 0.29 0.00 0.58 2.02 -1.66 0.61 112.91 114.74 2k9x h THR 46 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2k9x h THR 46 Cb 0.00 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2k9x h THR 46 CO 0.00 0.00 -1.99 0.59 0.37 0.00 0.00 175.52 174.49 2k9x n ASN 47 N -3.51 0.61 -2.68 4.18 3.02 -1.07 -4.74 115.26 111.08 2k9x n ASN 47 Ca 0.05 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.51 2k9x n ASN 47 Cb 0.54 1.57 0.06 0.00 -0.61 0.00 0.00 39.78 41.34 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2k9x n TYR 48 N -2.33 -0.28 -3.62 3.10 4.01 0.15 -4.97 117.16 113.21 2k9x n TYR 48 Ca -0.12 -2.46 -0.37 0.00 -0.16 0.00 0.00 57.90 54.79 2k9x n TYR 48 Cb 0.69 0.40 -0.10 0.00 -0.31 0.00 0.00 39.34 40.02 2k9x n TYR 48 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k9x s VAL 49 N -1.81 5.33 -0.51 -0.72 0.11 0.20 -4.41 120.40 118.59 2k9x s VAL 49 Ca 0.25 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.51 2k9x s VAL 49 Cb 0.43 -3.52 0.60 0.00 -1.53 0.00 0.00 36.38 32.36 2k9x s VAL 49 CO -0.01 0.30 1.93 0.29 -3.33 0.00 0.00 175.10 174.27 2k9x n LYS 50 N 4.65 2.38 -0.18 1.54 5.02 -1.20 -4.94 118.16 125.42 2k9x n LYS 50 Ca -0.14 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.03 2k9x n LYS 50 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 -1.08 0.00 -2.98 1.97 4.07 -1.26 -4.85 120.64 116.51 2k9x n GLU 51 Ca 0.60 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.27 2k9x n GLU 51 Cb 1.35 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.67 2k9x n GLU 51 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k9x s ARG 52 N 0.46 3.38 0.54 5.31 0.52 -1.26 -4.93 118.95 122.98 2k9x s ARG 52 Ca 0.00 -0.15 0.36 0.00 -0.52 0.00 0.00 55.73 55.42 2k9x s ARG 52 Cb 0.00 -3.94 1.54 0.00 0.52 0.00 0.00 34.95 33.07 2k9x s ARG 52 CO 0.00 -1.11 1.81 -1.35 0.02 0.00 0.00 175.30 174.67 2k9x h PRO 53 N 8.98 0.01 0.00 3.54 0.11 -1.96 0.32 132.00 142.99 2k9x h PRO 53 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2k9x h PRO 53 Cb 1.09 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k9x h PRO 53 CO 0.96 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.31 2k9x h ASP 54 N 0.01 0.00 1.49 -2.05 3.32 -1.91 -2.25 116.42 115.02 2k9x h ASP 54 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 2k9x h ASP 54 Cb 2.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.75 2k9x h ASP 54 CO -0.01 0.00 -0.03 0.17 -1.72 0.00 0.00 179.24 177.65 2k9x h LEU 55 N 0.00 0.00 0.00 1.55 8.10 -0.77 -3.37 115.31 120.81 2k9x h LEU 55 Ca 0.00 -0.01 -0.26 0.00 0.11 0.00 0.00 57.88 57.72 2k9x h LEU 55 Cb 0.27 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.45 2k9x h LEU 55 CO 0.00 0.00 -1.88 0.00 -4.11 0.00 0.00 178.44 172.45 2k9x n LEU 56 N -2.32 1.27 -4.68 0.17 -0.00 -0.90 -4.93 117.00 105.62 2k9x n LEU 56 Ca 0.05 0.17 -0.38 0.00 -0.00 0.00 0.00 56.01 55.85 2k9x n LEU 56 Cb 0.44 -0.47 0.05 0.00 -0.00 0.00 0.00 43.42 43.44 2k9x n LEU 56 CO 0.31 0.36 0.75 1.33 -0.00 0.00 0.00 177.39 180.15 2k9x n VAL 57 N -3.64 3.96 0.20 1.47 0.24 -0.90 0.90 118.33 120.55 2k9x n VAL 57 Ca -0.31 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.40 2k9x n VAL 57 Cb 0.73 -1.37 -0.05 0.00 -1.47 0.00 0.00 33.84 31.68 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 0.82 -0.49 0.00 -1.34 3.58 0.25 -3.35 116.42 115.89 2k9x h ASP 58 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k9x h ASP 58 Cb 1.34 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.52 2k9x h ASP 58 CO 0.53 -0.06 0.00 1.67 -2.88 0.00 0.00 179.24 178.51 2k9x n GLN 59 N -5.16 0.00 0.33 0.28 -0.06 -1.26 -4.85 117.38 106.66 2k9x n GLN 59 Ca -0.07 0.00 0.21 0.00 -2.00 0.00 0.00 57.00 55.13 2k9x n GLN 59 Cb 0.24 0.00 1.13 0.00 -4.06 0.00 0.00 30.24 27.55 2k9x n GLN 59 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2k9x h THR 60 N 0.00 0.12 0.00 1.69 1.35 -1.93 -3.45 112.91 110.68 2k9x h THR 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2k9x h THR 60 Cb 0.00 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 2k9x h THR 60 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2k9x n GLY 61 N -1.15 0.64 0.77 5.82 0.00 -1.26 -4.93 105.19 105.09 2k9x n GLY 61 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2k9x n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9x n GLN 62 N -2.40 0.00 -3.89 1.61 10.64 -1.26 -5.02 117.38 117.07 2k9x n GLN 62 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 2k9x n GLN 62 Cb 0.05 -0.57 -0.09 0.00 -0.86 0.00 0.00 30.24 28.77 2k9x n GLN 62 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2k9x s THR 63 N -1.92 5.10 0.72 -0.39 -1.32 -1.26 -4.85 115.64 111.72 2k9x s THR 63 Ca 0.00 0.08 -0.14 0.00 -1.21 0.00 0.00 61.69 60.41 2k9x s THR 63 Cb 0.00 -3.30 0.03 0.00 -1.51 0.00 0.00 72.50 67.72 2k9x s THR 63 CO 0.00 0.47 1.15 -0.76 -2.21 0.00 0.00 174.62 173.27 2k9x s LEU 64 N 0.23 3.30 0.42 9.08 1.43 -1.26 0.82 118.68 132.70 2k9x s LEU 64 Ca 0.06 2.16 -0.24 0.00 -1.03 0.00 0.00 54.13 55.08 2k9x s LEU 64 Cb -0.12 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.43 2k9x s LEU 64 CO -0.01 -2.04 1.04 -2.11 0.23 0.00 0.00 176.35 173.46 2k9x n ARG 65 N -2.75 1.39 -0.22 1.70 1.85 0.26 -4.20 116.66 114.70 2k9x n ARG 65 Ca 0.12 0.50 0.22 0.00 -1.00 0.00 0.00 57.85 57.69 2k9x n ARG 65 Cb 0.51 -2.08 0.58 0.00 -1.05 0.00 0.00 32.46 30.43 2k9x n ARG 65 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2k9x h PRO 66 N 1.57 0.26 -1.03 2.89 0.11 -1.92 -1.57 132.00 132.31 2k9x h PRO 66 Ca -0.45 -0.02 0.26 0.00 0.11 0.00 0.00 66.00 65.91 2k9x h PRO 66 Cb 1.33 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 2k9x h PRO 66 CO 0.57 0.17 0.67 0.78 -0.21 0.00 0.00 178.00 179.99 2k9x h GLY 67 N 0.27 1.01 -6.23 -0.55 0.00 -1.89 -3.37 103.07 92.30 2k9x h GLY 67 Ca 0.46 -0.18 -0.59 0.00 0.00 0.00 0.00 47.33 47.03 2k9x h GLY 67 CO -0.13 -0.10 0.68 -0.42 0.00 0.00 0.00 176.54 176.58 2k9x s ILE 68 N -5.42 4.53 -0.80 2.60 1.01 -0.59 -0.15 121.20 122.38 2k9x s ILE 68 Ca -0.08 1.31 -0.24 0.00 0.00 0.00 0.00 60.65 61.64 2k9x s ILE 68 Cb 0.24 -4.38 0.05 0.00 0.01 0.00 0.00 42.46 38.39 2k9x s ILE 68 CO 0.80 -0.57 1.23 -0.22 0.00 0.00 0.00 174.94 176.18 2k9x s LEU 69 N 3.60 3.67 0.08 2.97 2.96 0.16 -4.78 118.68 127.34 2k9x s LEU 69 Ca 0.41 -0.92 -0.25 0.00 -0.22 0.00 0.00 54.13 53.15 2k9x s LEU 69 Cb -0.12 -2.52 -0.06 0.00 0.50 0.00 0.00 46.19 44.00 2k9x s LEU 69 CO 0.19 -1.61 0.76 -0.69 -1.32 0.00 0.00 176.35 173.67 2k9x s VAL 70 N 4.94 4.63 -0.10 1.68 1.01 -1.26 -3.27 120.40 128.04 2k9x s VAL 70 Ca 0.34 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.96 2k9x s VAL 70 Cb -0.08 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2k9x s VAL 70 CO 0.06 0.42 -0.15 -0.76 0.00 0.00 0.00 175.10 174.67 2k9x s LEU 71 N -0.41 1.73 -0.24 3.92 1.43 -1.19 -1.50 118.68 122.42 2k9x s LEU 71 Ca 0.37 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2k9x s LEU 71 Cb -0.21 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 2k9x s LEU 71 CO 0.24 0.03 0.00 -0.69 0.23 0.00 0.00 176.35 176.16 2k9x s VAL 72 N 0.88 3.65 -1.43 -1.59 1.01 -1.22 -2.94 120.40 118.76 2k9x s VAL 72 Ca -0.09 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2k9x s VAL 72 Cb -0.15 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.53 2k9x s VAL 72 CO 0.00 0.33 0.53 0.59 0.00 0.00 0.00 175.10 176.55 2k9x n ASN 73 N 4.83 -5.06 -2.85 3.32 4.13 -0.95 -1.20 115.26 117.48 2k9x n ASN 73 Ca -0.17 -0.30 -0.20 0.00 1.68 0.00 0.00 54.58 55.58 2k9x n ASN 73 Cb 0.50 -4.13 0.01 0.00 -1.54 0.00 0.00 39.78 34.62 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 -2.40 -5.18 -1.56 6.41 2.88 -1.26 -4.85 113.62 107.67 2k9x n SER 74 Ca -0.08 -0.16 0.03 0.00 -1.33 0.00 0.00 58.87 57.34 2k9x n SER 74 Cb 0.59 -4.26 0.04 0.00 -0.75 0.00 0.00 64.21 59.83 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 0.23 -5.16 0.12 0.00 -0.08 -1.25 -4.42 116.55 106.00 2k9x n ASP 76 Ca 0.08 0.91 0.06 0.00 -1.51 0.00 0.00 54.79 54.34 2k9x n ASP 76 Cb 1.07 -2.46 0.03 0.00 2.34 0.00 0.00 41.12 42.09 2k9x n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k9x h ALA 77 N 0.52 0.70 0.08 -1.67 0.00 -1.55 -3.22 119.26 114.11 2k9x h ALA 77 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.32 2k9x h ALA 77 Cb 0.29 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k9x h ALA 77 CO 0.00 0.39 -1.31 0.93 0.00 0.00 0.00 179.25 179.25 2k9x h GLU 78 N 0.00 0.17 -0.50 0.00 4.39 -1.84 0.64 114.58 117.44 2k9x h GLU 78 Ca -0.04 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.29 2k9x h GLU 78 Cb 1.24 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 2k9x h GLU 78 CO 0.03 1.07 0.00 0.28 -1.16 0.00 0.00 179.01 179.23 2k9x h VAL 79 N 0.05 1.26 0.00 3.13 2.07 -1.78 -2.94 116.25 118.04 2k9x h VAL 79 Ca -0.15 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 2k9x h VAL 79 Cb 1.94 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2k9x h VAL 79 CO 0.16 0.38 -0.43 -0.37 0.02 0.00 0.00 177.57 177.33 2k9x h VAL 80 N 0.75 1.22 0.00 2.57 -1.51 -1.68 -3.46 116.25 114.15 2k9x h VAL 80 Ca 0.14 -1.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.10 2k9x h VAL 80 Cb 0.51 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2k9x h VAL 80 CO 0.02 0.42 0.00 0.61 -1.23 0.00 0.00 177.57 177.40 2k9x n GLY 81 N -0.17 0.70 0.00 5.19 0.00 -1.11 -4.77 105.19 105.03 2k9x n GLY 81 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.96 0.94 -0.02 0.00 0.22 -4.53 105.19 104.76 2k9x n GLY 82 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.45 1.61 0.00 -1.26 -4.70 117.12 112.31 2k9x n MET 83 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 57.70 56.81 2k9x n MET 83 Cb 0.00 0.34 0.03 0.00 0.00 0.00 0.00 33.22 33.59 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 0.05 0.57 -4.61 3.17 -0.08 -1.26 -3.05 116.55 111.34 2k9x n ASP 84 Ca -0.19 -2.26 -0.43 0.00 -1.51 0.00 0.00 54.79 50.40 2k9x n ASP 84 Cb 0.70 -0.26 -0.03 0.00 2.34 0.00 0.00 41.12 43.88 2k9x n ASP 84 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2k9x s TYR 85 N -0.66 1.92 0.21 -0.67 5.04 -1.26 -4.60 117.35 117.32 2k9x s TYR 85 Ca 0.09 0.56 -0.30 0.00 -2.44 0.00 0.00 57.07 54.98 2k9x s TYR 85 Cb 0.08 -4.08 -0.09 0.00 0.35 0.00 0.00 41.96 38.22 2k9x s TYR 85 CO -0.00 -3.00 1.25 0.14 -1.34 0.00 0.00 175.55 172.59 2k9x s VAL 86 N 6.13 3.34 0.49 3.14 -7.23 -1.26 -1.29 120.40 123.72 2k9x s VAL 86 Ca 0.77 1.15 -0.18 0.00 -1.81 0.00 0.00 61.98 61.90 2k9x s VAL 86 Cb -0.24 -3.73 -0.09 0.00 0.56 0.00 0.00 36.38 32.88 2k9x s VAL 86 CO 0.32 0.19 0.98 -0.76 -0.31 0.00 0.00 175.10 175.52 2k9x s LEU 87 N -0.38 3.72 0.44 1.32 1.02 0.22 -4.94 118.68 120.09 2k9x s LEU 87 Ca 0.54 1.62 0.00 0.00 0.02 0.00 0.00 54.13 56.30 2k9x s LEU 87 Cb -0.35 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.34 2k9x s LEU 87 CO 0.39 -0.53 0.00 -3.20 0.02 0.00 0.00 176.35 173.03 2k9x n ASN 88 N -1.28 -3.37 -3.26 2.29 2.85 -1.26 -3.90 115.26 107.33 2k9x n ASN 88 Ca 0.07 0.83 0.03 0.00 -0.11 0.00 0.00 54.58 55.40 2k9x n ASN 88 Cb 0.54 3.18 -0.03 0.00 1.24 0.00 0.00 39.78 44.71 2k9x n ASN 88 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2k9x s ASP 89 N -2.72 -0.43 0.00 1.20 1.01 -1.26 -4.63 116.67 109.84 2k9x s ASP 89 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.72 2k9x s ASP 89 Cb 0.00 1.44 0.00 0.00 1.01 0.00 0.00 42.92 45.37 2k9x s ASP 89 CO 0.00 -0.08 0.00 0.61 0.21 0.00 0.00 175.17 175.91 2k9x n GLY 90 N 5.08 0.63 3.55 0.21 0.00 -1.19 -4.98 105.19 108.50 2k9x n GLY 90 Ca -0.08 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.99 5.77 -0.06 1.61 2.15 -1.26 -4.74 116.67 117.14 2k9x s ASP 91 Ca 0.00 -0.19 -0.28 0.00 0.43 0.00 0.00 52.55 52.51 2k9x s ASP 91 Cb 0.00 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2k9x s ASP 91 CO 0.00 -2.08 0.92 -0.89 -0.17 0.00 0.00 175.17 172.95 2k9x s THR 92 N 7.25 4.88 -0.12 1.71 2.01 -1.26 -3.33 115.64 126.78 2k9x s THR 92 Ca 0.50 1.89 -0.04 0.00 0.31 0.00 0.00 61.69 64.35 2k9x s THR 92 Cb -0.09 -4.24 0.05 0.00 0.01 0.00 0.00 72.50 68.22 2k9x s THR 92 CO 0.15 0.11 0.07 0.54 -0.69 0.00 0.00 174.62 174.81 2k9x s VAL 93 N 1.41 0.01 0.11 3.82 0.11 -0.15 -2.23 120.40 123.48 2k9x s VAL 93 Ca 0.47 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.60 2k9x s VAL 93 Cb -0.19 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2k9x s VAL 93 CO 0.21 -0.08 -0.15 -1.61 -3.33 0.00 0.00 175.10 170.14 2k9x s GLU 94 N 2.10 1.92 -0.29 1.54 2.02 -1.15 -2.86 118.70 121.98 2k9x s GLU 94 Ca 0.03 -1.12 0.02 0.00 0.02 0.00 0.00 54.97 53.92 2k9x s GLU 94 Cb -0.15 -2.19 0.08 0.00 0.10 0.00 0.00 34.13 31.98 2k9x s GLU 94 CO -0.07 0.49 0.00 -0.06 0.02 0.00 0.00 175.26 175.65 2k9x s PHE 95 N -1.17 2.89 -0.38 1.61 0.08 -1.19 -3.16 117.98 116.66 2k9x s PHE 95 Ca 0.19 -2.28 -0.02 0.00 0.12 0.00 0.00 56.93 54.94 2k9x s PHE 95 Cb -0.11 -2.14 0.10 0.00 -0.57 0.00 0.00 43.02 40.30 2k9x s PHE 95 CO 0.11 -0.87 0.15 0.42 -0.10 0.00 0.00 175.22 174.93 2k9x s ILE 96 N 1.21 3.13 -0.71 0.64 1.01 -1.20 -2.90 121.20 122.38 2k9x s ILE 96 Ca 0.02 -1.95 -0.26 0.00 0.00 0.00 0.00 60.65 58.46 2k9x s ILE 96 Cb -0.19 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2k9x s ILE 96 CO -0.10 -0.57 1.71 -0.44 0.00 0.00 0.00 174.94 175.54 2k9x s SER 97 N 1.61 5.55 -0.20 3.58 0.01 -1.18 0.38 113.70 123.45 2k9x s SER 97 Ca 0.06 -0.12 -0.21 0.00 1.31 0.00 0.00 55.95 57.00 2k9x s SER 97 Cb -0.22 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 63.29 2k9x s SER 97 CO -0.04 -2.24 0.22 0.74 0.41 0.00 0.00 173.24 172.33 2k9x h THR 98 N 6.73 0.90 -2.68 1.44 2.02 -0.84 -3.44 112.91 117.03 2k9x h THR 98 Ca -0.18 -2.08 -0.61 0.00 0.77 0.00 0.00 66.41 64.30 2k9x h THR 98 Cb 1.10 2.11 -0.13 0.00 -1.74 0.00 0.00 68.15 69.49 2k9x h THR 98 CO 1.25 0.30 0.63 -0.22 0.37 0.00 0.00 175.52 177.85 2k9x s LEU 99 N -7.93 4.16 0.00 2.58 0.20 -1.04 -4.72 118.68 111.93 2k9x s LEU 99 Ca -0.27 -0.82 0.00 0.00 0.69 0.00 0.00 54.13 53.73 2k9x s LEU 99 Cb 0.05 -2.49 0.00 0.00 -0.43 0.00 0.00 46.19 43.31 2k9x s LEU 99 CO 0.56 -1.48 0.00 1.57 -0.29 0.00 0.00 176.35 176.72 2k9x n HIS 100 N 7.94 0.00 0.00 5.38 -0.00 -1.26 -4.57 115.22 122.70 2k9x n HIS 100 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2k9x n HIS 100 Cb 0.46 0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 2k9x n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k9x n GLY 101 N 2.63 -1.86 0.00 1.57 0.00 -1.26 -5.21 105.19 101.06 2k9x n GLY 101 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93