#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9x s SER 2 N 0.00 1.66 -0.25 3.17 0.01 -1.26 -5.08 113.70 111.96 2k9x s SER 2 Ca 0.00 -2.69 -0.02 0.00 1.31 0.00 0.00 55.95 54.55 2k9x s SER 2 Cb 0.00 -0.25 0.12 0.00 0.21 0.00 0.00 66.02 66.09 2k9x s SER 2 CO 0.00 -0.21 0.28 0.21 0.41 0.00 0.00 173.24 173.93 2k9x s ASN 3 N 0.44 1.34 -0.06 2.44 2.47 -1.26 -4.98 114.94 115.34 2k9x s ASN 3 Ca 0.28 -0.40 0.05 0.00 0.42 0.00 0.00 52.86 53.22 2k9x s ASN 3 Cb -0.04 0.55 0.12 0.00 -1.45 0.00 0.00 41.25 40.43 2k9x s ASN 3 CO -0.13 -0.35 1.11 0.00 -3.72 0.00 0.00 177.10 174.01 2k9x n HIS 4 N 5.32 -0.30 -3.04 0.43 1.44 -1.26 -5.12 115.22 112.68 2k9x n HIS 4 Ca -0.04 -0.73 -0.40 0.00 -2.01 0.00 0.00 57.72 54.55 2k9x n HIS 4 Cb 0.48 0.59 -0.05 0.00 0.12 0.00 0.00 29.99 31.13 2k9x n HIS 4 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2k9x s ASN 5 N -1.18 7.06 0.00 4.39 2.20 -1.26 -4.83 114.94 121.32 2k9x s ASN 5 Ca 0.05 1.28 0.00 0.00 -0.94 0.00 0.00 52.86 53.25 2k9x s ASN 5 Cb 0.12 -2.43 0.00 0.00 -2.00 0.00 0.00 41.25 36.94 2k9x s ASN 5 CO -0.04 -0.05 0.00 0.00 -2.94 0.00 0.00 177.10 174.08 2k9x n HIS 6 N 3.32 0.00 -4.21 1.54 1.44 -1.26 -4.78 115.22 111.26 2k9x n HIS 6 Ca -0.02 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.50 2k9x n HIS 6 Cb 0.51 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.50 2k9x n HIS 6 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2k9x s ILE 7 N -2.00 1.26 -0.18 0.61 -1.09 -0.56 0.45 121.20 119.70 2k9x s ILE 7 Ca 0.00 -1.52 -0.01 0.00 -2.23 0.00 0.00 60.65 56.89 2k9x s ILE 7 Cb 0.00 -1.33 0.00 0.00 -1.58 0.00 0.00 42.46 39.55 2k9x s ILE 7 CO 0.00 -0.30 -0.13 -0.89 -1.23 0.00 0.00 174.94 172.39 2k9x s THR 8 N -1.68 2.75 -0.21 2.92 2.01 0.14 -3.41 115.64 118.17 2k9x s THR 8 Ca 0.04 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 2k9x s THR 8 Cb -0.08 -2.19 0.10 0.00 0.01 0.00 0.00 72.50 70.34 2k9x s THR 8 CO 0.03 0.50 0.24 0.54 -0.69 0.00 0.00 174.62 175.23 2k9x s VAL 9 N 1.08 -0.36 0.11 3.82 0.11 -0.70 -1.14 120.40 123.34 2k9x s VAL 9 Ca -0.00 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 2k9x s VAL 9 Cb -0.14 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2k9x s VAL 9 CO -0.04 -0.19 -0.05 0.00 -3.33 0.00 0.00 175.10 171.49 2k9x s GLN 10 N 2.35 0.89 0.08 1.54 0.00 -1.16 0.38 119.66 123.74 2k9x s GLN 10 Ca 0.08 -1.38 0.09 0.00 -0.00 0.00 0.00 55.36 54.14 2k9x s GLN 10 Cb -0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 33.01 32.60 2k9x s GLN 10 CO -0.12 -0.04 -0.21 -0.06 0.00 0.00 0.00 175.29 174.86 2k9x s PHE 11 N -3.63 2.48 -0.03 9.60 0.08 -0.80 -3.22 117.98 122.45 2k9x s PHE 11 Ca 0.14 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.82 2k9x s PHE 11 Cb 0.05 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2k9x s PHE 11 CO -0.03 0.28 0.17 0.00 -0.10 0.00 0.00 175.22 175.54 2k9x s ALA 12 N -0.99 -0.41 0.00 5.36 0.00 -0.52 -4.71 121.76 120.50 2k9x s ALA 12 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2k9x s ALA 12 Cb -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2k9x s ALA 12 CO 0.06 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2k9x n GLY 13 N 2.07 1.66 1.60 0.00 0.00 -1.26 -3.23 105.19 106.03 2k9x n GLY 13 Ca -0.18 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 1.17 0.03 -0.02 0.00 -1.26 -4.83 105.19 100.27 2k9x n GLY 14 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.09 0.00 0.00 9.09 -1.84 -0.17 114.58 121.75 2k9x h GLU 16 Ca -0.13 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.28 2k9x h GLU 16 Cb 1.05 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 2k9x h GLU 16 CO 0.01 0.06 0.00 1.28 0.05 0.00 0.00 179.01 180.40 2k9x n LEU 17 N -4.53 0.00 -0.73 3.06 4.32 -1.26 0.03 117.00 117.89 2k9x n LEU 17 Ca -0.02 0.40 0.04 0.00 -0.02 0.00 0.00 56.01 56.41 2k9x n LEU 17 Cb 0.10 -0.40 0.14 0.00 -1.62 0.00 0.00 43.42 41.64 2k9x n LEU 17 CO 0.34 -0.17 0.57 0.18 -1.22 0.00 0.00 177.39 177.09 2k9x n LEU 18 N -1.40 2.07 0.11 2.23 4.77 -0.07 -3.60 117.00 121.10 2k9x n LEU 18 Ca 0.06 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2k9x n LEU 18 Cb 0.17 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2k9x n LEU 18 CO 0.14 0.40 0.00 0.33 -1.33 0.00 0.00 177.39 176.93 2k9x n PHE 19 N 0.33 -2.27 -2.14 -1.77 7.35 -1.09 -2.31 117.46 115.56 2k9x n PHE 19 Ca 0.10 0.50 -0.00 0.00 -0.76 0.00 0.00 57.45 57.29 2k9x n PHE 19 Cb 0.39 1.14 0.00 0.00 0.35 0.00 0.00 39.48 41.36 2k9x n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9x n ALA 20 N -3.14 -1.36 -2.70 3.13 0.00 -1.08 -4.42 120.51 110.94 2k9x n ALA 20 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 2k9x n ALA 20 Cb 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.09 -2.66 -2.76 0.00 4.01 0.10 -4.91 118.16 111.86 2k9x n LYS 21 Ca -0.02 0.54 -0.41 0.00 -0.51 0.00 0.00 58.31 57.91 2k9x n LYS 21 Cb 0.44 -5.17 -0.04 0.00 -0.51 0.00 0.00 35.03 29.74 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 -5.30 4.66 -0.00 1.97 -1.52 -1.25 -4.96 119.66 113.26 2k9x s GLN 22 Ca 0.11 1.40 -0.09 0.00 -1.95 0.00 0.00 55.36 54.84 2k9x s GLN 22 Cb -0.06 -3.38 -0.05 0.00 -0.22 0.00 0.00 33.01 29.30 2k9x s GLN 22 CO 0.14 0.20 0.74 1.79 -0.25 0.00 0.00 175.29 177.91 2k9x h THR 23 N 4.12 0.00 -4.01 -0.19 1.35 -1.90 -3.35 112.91 108.92 2k9x h THR 23 Ca -0.43 -0.15 -0.11 0.00 -0.55 0.00 0.00 66.41 65.18 2k9x h THR 23 Cb 1.21 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.49 2k9x h THR 23 CO 0.72 0.00 -0.48 -0.94 -0.25 0.00 0.00 175.52 174.57 2k9x s SER 24 N -3.21 0.24 0.00 5.36 1.04 -1.26 -1.91 113.70 113.96 2k9x s SER 24 Ca -0.05 -0.85 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 2k9x s SER 24 Cb 0.00 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 2k9x s SER 24 CO 0.14 -0.71 0.07 -0.76 0.98 0.00 0.00 173.24 172.95 2k9x s LEU 25 N -2.91 1.81 -0.12 2.42 1.43 0.16 -4.94 118.68 116.53 2k9x s LEU 25 Ca 0.09 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2k9x s LEU 25 Cb 0.06 0.41 0.03 0.00 0.03 0.00 0.00 46.19 46.72 2k9x s LEU 25 CO -0.08 -0.28 -0.03 -1.10 0.23 0.00 0.00 176.35 175.09 2k9x s GLN 26 N -1.15 1.08 -0.09 1.70 -0.21 -1.25 -1.71 119.66 118.02 2k9x s GLN 26 Ca -0.12 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.08 2k9x s GLN 26 Cb -0.07 -1.51 -0.02 0.00 1.00 0.00 0.00 33.01 32.41 2k9x s GLN 26 CO 0.00 -0.35 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.18 2k9x s LEU 27 N 1.81 2.77 -0.26 2.90 1.43 -1.22 -4.84 118.68 121.26 2k9x s LEU 27 Ca 0.04 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2k9x s LEU 27 Cb -0.13 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.56 2k9x s LEU 27 CO -0.07 0.26 -0.03 1.51 0.23 0.00 0.00 176.35 178.24 2k9x s ASP 28 N -0.19 4.03 0.04 2.29 -4.77 -1.26 -1.49 116.67 115.32 2k9x s ASP 28 Ca 0.00 -1.35 -0.15 0.00 -3.30 0.00 0.00 52.55 47.75 2k9x s ASP 28 Cb -0.13 -1.24 0.02 0.00 -1.09 0.00 0.00 42.92 40.48 2k9x s ASP 28 CO 0.03 -0.26 0.33 -0.83 0.70 0.00 0.00 175.17 175.14 2k9x s GLY 29 N 1.33 -0.16 -0.25 2.12 0.00 -1.26 -5.06 107.32 104.04 2k9x s GLY 29 Ca -0.03 0.10 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 2k9x s GLY 29 CO -0.08 -0.12 -0.16 3.33 0.00 0.00 0.00 173.10 176.07 2k9x n VAL 30 N 0.61 1.54 -0.07 1.40 0.24 -1.26 -4.30 118.33 116.49 2k9x n VAL 30 Ca -0.19 -0.46 -0.22 0.00 -2.04 0.00 0.00 64.34 61.43 2k9x n VAL 30 Cb 0.59 -1.69 -0.12 0.00 -1.47 0.00 0.00 33.84 31.15 2k9x n VAL 30 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2k9x n VAL 31 N -3.76 1.61 -0.27 3.34 0.31 -1.26 -4.39 118.33 113.90 2k9x n VAL 31 Ca -0.46 -0.25 0.06 0.00 -0.01 0.00 0.00 64.34 63.68 2k9x n VAL 31 Cb 0.93 -1.93 0.20 0.00 -0.91 0.00 0.00 33.84 32.13 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2k9x h PRO 32 N -0.66 0.51 0.00 5.55 0.11 -1.98 -3.42 132.00 132.11 2k9x h PRO 32 Ca -0.40 -0.03 -0.43 0.00 0.11 0.00 0.00 66.00 65.25 2k9x h PRO 32 Cb 1.56 -0.12 0.19 0.00 0.11 0.00 0.00 31.00 32.74 2k9x h PRO 32 CO -0.13 0.34 0.32 2.41 -0.21 0.00 0.00 178.00 180.73 2k9x n THR 33 N -4.94 0.00 0.00 -1.15 -1.04 -1.26 -4.80 114.28 101.09 2k9x n THR 33 Ca 0.15 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2k9x n THR 33 Cb 0.42 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 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 -4.19 0.95 0.00 3.41 0.00 -1.26 -4.95 105.19 99.15 2k9x n GLY 34 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2k9x n GLY 34 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k9x n THR 35 N 0.00 0.00 -4.18 2.61 5.66 -1.26 -4.92 114.28 112.18 2k9x n THR 35 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2k9x n THR 35 Cb 0.00 -0.09 -0.03 0.00 -1.55 0.00 0.00 70.33 68.66 2k9x n THR 35 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2k9x n ASN 36 N 0.00 0.50 -0.20 1.09 0.23 -1.26 0.36 115.26 115.98 2k9x n ASN 36 Ca 0.00 -1.96 -0.06 0.00 -0.53 0.00 0.00 54.58 52.03 2k9x n ASN 36 Cb 0.00 0.57 0.03 0.00 -2.08 0.00 0.00 39.78 38.30 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 0.66 -1.57 -4.53 6.46 -1.46 0.30 115.31 115.17 2k9x h LEU 37 Ca -0.13 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.63 2k9x h LEU 37 Cb 0.53 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2k9x h LEU 37 CO 0.19 0.48 0.31 -1.13 -0.62 0.00 0.00 178.44 177.67 2k9x h ASN 38 N 0.78 0.49 0.52 1.25 -1.24 -1.85 -1.03 115.58 114.50 2k9x h ASN 38 Ca 0.21 -0.01 -0.22 0.00 0.71 0.00 0.00 56.30 57.00 2k9x h ASN 38 Cb -0.09 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 2k9x h ASN 38 CO -0.05 0.35 -0.94 1.23 -1.29 0.00 0.00 177.43 176.73 2k9x h GLY 39 N 0.58 0.30 0.98 1.57 0.00 -1.66 -2.85 103.07 101.99 2k9x h GLY 39 Ca 0.18 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2k9x h GLY 39 CO -0.04 0.49 -0.10 1.41 0.00 0.00 0.00 176.54 178.30 2k9x h LEU 40 N 0.14 -0.24 0.67 3.11 3.38 0.80 -1.34 115.31 121.82 2k9x h LEU 40 Ca -0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k9x h LEU 40 Cb 1.59 0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.41 2k9x h LEU 40 CO 0.15 -0.15 -0.33 -0.37 0.09 0.00 0.00 178.44 177.83 2k9x h VAL 41 N -0.32 0.33 -0.96 1.22 -1.51 -1.40 -2.38 116.25 111.23 2k9x h VAL 41 Ca -0.03 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.71 2k9x h VAL 41 Cb 0.24 0.33 -0.04 0.00 -2.13 0.00 0.00 31.29 29.69 2k9x h VAL 41 CO 0.05 0.00 0.68 -0.61 -1.23 0.00 0.00 177.57 176.46 2k9x h GLN 42 N -0.91 0.05 0.00 5.19 4.15 -1.50 0.39 115.11 122.49 2k9x h GLN 42 Ca -0.09 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.22 2k9x h GLN 42 Cb 0.70 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 2k9x h GLN 42 CO 0.15 0.04 -0.51 1.25 -1.93 0.00 0.00 178.83 177.82 2k9x h LEU 43 N 0.06 0.00 0.03 -2.39 5.85 -0.73 -2.47 115.31 115.65 2k9x h LEU 43 Ca 0.47 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.80 2k9x h LEU 43 Cb 1.76 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.74 2k9x h LEU 43 CO -0.04 0.51 -2.29 0.00 -0.34 0.00 0.00 178.44 176.29 2k9x n LEU 44 N -3.61 2.63 -0.01 2.25 -0.00 0.11 -4.14 117.00 114.23 2k9x n LEU 44 Ca -0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2k9x n LEU 44 Cb 0.59 -0.95 -0.00 0.00 -0.00 0.00 0.00 43.42 43.06 2k9x n LEU 44 CO 0.40 0.81 -0.02 0.07 -0.00 0.00 0.00 177.39 178.64 2k9x h LYS 45 N -0.24 0.00 -0.82 1.47 2.10 -0.77 -2.49 116.57 115.81 2k9x h LYS 45 Ca -0.55 0.00 0.24 0.00 -2.00 0.00 0.00 60.65 58.34 2k9x h LYS 45 Cb 1.84 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.13 2k9x h LYS 45 CO -0.12 0.00 0.65 1.15 -2.00 0.00 0.00 179.45 179.13 2k9x h THR 46 N -0.12 0.47 0.11 0.07 2.02 -1.64 0.48 112.91 114.30 2k9x h THR 46 Ca 0.00 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.91 2k9x h THR 46 Cb 0.03 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2k9x h THR 46 CO 0.00 0.00 -1.28 -1.13 0.37 0.00 0.00 175.52 173.48 2k9x h ASN 47 N 0.00 0.35 0.00 4.18 -0.73 -1.61 -3.45 115.58 114.32 2k9x h ASN 47 Ca 0.39 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2k9x h ASN 47 Cb 1.68 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 40.15 2k9x h ASN 47 CO -0.00 1.32 0.00 0.00 -0.37 0.00 0.00 177.43 178.37 2k9x n TYR 48 N -3.48 -0.24 -3.57 0.67 4.19 0.78 -5.04 117.16 110.47 2k9x n TYR 48 Ca -0.09 0.04 -0.22 0.00 3.31 0.00 0.00 57.90 60.94 2k9x n TYR 48 Cb 1.02 0.28 0.01 0.00 0.49 0.00 0.00 39.34 41.13 2k9x n TYR 48 CO 0.00 0.00 0.00 1.55 0.91 0.00 0.00 176.86 179.32 2k9x n VAL 49 N -2.67 -5.02 -0.10 2.97 3.14 0.13 -4.87 118.33 111.92 2k9x n VAL 49 Ca 0.00 0.01 -0.06 0.00 -2.96 0.00 0.00 64.34 61.34 2k9x n VAL 49 Cb 0.00 -3.96 0.01 0.00 -1.06 0.00 0.00 33.84 28.83 2k9x n VAL 49 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2k9x h LYS 50 N 0.39 -0.02 0.00 1.45 1.79 -1.66 -3.43 116.57 115.09 2k9x h LYS 50 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2k9x h LYS 50 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2k9x h LYS 50 CO 0.32 -0.01 0.00 -1.91 -1.08 0.00 0.00 179.45 176.77 2k9x n GLU 51 N -5.30 1.51 -2.05 3.15 4.07 -1.24 -5.00 120.64 115.78 2k9x n GLU 51 Ca 0.01 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.70 2k9x n GLU 51 Cb 0.21 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.57 2k9x n GLU 51 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k9x s ARG 52 N 0.04 4.29 0.31 5.31 3.52 -1.26 -4.93 118.95 126.22 2k9x s ARG 52 Ca 0.00 2.25 0.16 0.00 -0.13 0.00 0.00 55.73 58.01 2k9x s ARG 52 Cb 0.00 -3.13 0.28 0.00 -1.56 0.00 0.00 34.95 30.53 2k9x s ARG 52 CO 0.00 -0.40 1.54 -1.00 -0.81 0.00 0.00 175.30 174.63 2k9x h PRO 53 N 5.28 0.00 -0.31 5.12 0.13 -1.96 -3.18 132.00 137.08 2k9x h PRO 53 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k9x h PRO 53 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k9x h PRO 53 CO 0.79 0.48 0.00 -3.47 -0.23 0.00 0.00 178.00 175.57 2k9x n ASP 54 N -3.33 1.89 0.01 1.44 2.03 -1.26 -3.68 116.55 113.66 2k9x n ASP 54 Ca 0.01 -1.92 -0.01 0.00 0.52 0.00 0.00 54.79 53.39 2k9x n ASP 54 Cb 0.66 -0.21 -0.10 0.00 -0.72 0.00 0.00 41.12 40.76 2k9x n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9x n LEU 55 N 0.51 0.75 -0.12 -2.67 -0.00 -1.20 -4.49 117.00 109.78 2k9x n LEU 55 Ca 0.13 0.33 -0.24 0.00 -0.00 0.00 0.00 56.01 56.24 2k9x n LEU 55 Cb 0.32 0.12 -0.11 0.00 -0.00 0.00 0.00 43.42 43.74 2k9x n LEU 55 CO 0.10 0.19 -1.28 0.00 -0.00 0.00 0.00 177.39 176.40 2k9x n LEU 56 N -2.87 2.42 -4.63 1.47 -0.00 -1.25 -4.87 117.00 107.27 2k9x n LEU 56 Ca -0.12 0.14 -0.38 0.00 -0.00 0.00 0.00 56.01 55.65 2k9x n LEU 56 Cb 0.88 -0.90 0.05 0.00 -0.00 0.00 0.00 43.42 43.45 2k9x n LEU 56 CO 0.43 0.72 0.59 1.33 -0.00 0.00 0.00 177.39 180.47 2k9x n VAL 57 N -3.80 3.55 0.30 1.47 0.24 -1.24 0.12 118.33 118.98 2k9x n VAL 57 Ca -0.47 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 61.17 2k9x n VAL 57 Cb 0.93 -1.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.01 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 0.72 -0.65 0.00 -1.34 3.58 0.35 -3.30 116.42 115.77 2k9x h ASP 58 Ca -0.48 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2k9x h ASP 58 Cb 1.35 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.57 2k9x h ASP 58 CO 0.52 -0.34 0.00 1.67 -2.88 0.00 0.00 179.24 178.21 2k9x n GLN 59 N -5.35 0.00 -0.13 0.28 -0.06 -1.26 -4.74 117.38 106.12 2k9x n GLN 59 Ca -0.12 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 54.92 2k9x n GLN 59 Cb 0.34 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 26.62 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2k9x n THR 60 N -1.42 0.34 -1.75 1.69 -2.24 -1.26 -4.88 114.28 104.76 2k9x n THR 60 Ca 0.00 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 2k9x n THR 60 Cb 0.00 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.81 1.29 0.06 3.38 0.00 -1.26 -4.79 105.19 104.68 2k9x n GLY 61 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.43 1.38 -4.49 1.61 7.27 -1.26 -5.02 117.38 114.42 2k9x n GLN 62 Ca -0.20 0.03 -0.24 0.00 0.07 0.00 0.00 57.00 56.66 2k9x n GLN 62 Cb 0.64 -1.27 -0.09 0.00 2.41 0.00 0.00 30.24 31.93 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 -2.26 0.80 0.32 1.69 -1.32 -1.26 -4.74 115.64 108.87 2k9x s THR 63 Ca -0.11 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.36 2k9x s THR 63 Cb 0.04 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 2k9x s THR 63 CO 0.37 0.00 0.54 -0.76 -2.21 0.00 0.00 174.62 172.57 2k9x s LEU 64 N -3.56 4.03 0.67 9.08 1.43 -1.26 0.85 118.68 129.91 2k9x s LEU 64 Ca 0.28 0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.83 2k9x s LEU 64 Cb 0.05 -3.38 0.02 0.00 0.03 0.00 0.00 46.19 42.91 2k9x s LEU 64 CO 0.14 -0.26 1.02 0.00 0.23 0.00 0.00 176.35 177.48 2k9x s ARG 65 N -4.03 2.71 0.16 1.70 1.70 0.33 -3.81 118.95 117.70 2k9x s ARG 65 Ca 0.41 0.15 -0.34 0.00 -0.47 0.00 0.00 55.73 55.48 2k9x s ARG 65 Cb -0.10 -2.13 -0.14 0.00 -0.57 0.00 0.00 34.95 32.01 2k9x s ARG 65 CO 0.34 -0.99 1.60 -2.30 -1.08 0.00 0.00 175.30 172.88 2k9x n PRO 66 N -2.86 2.20 0.00 3.89 -0.02 -1.26 -3.63 135.00 133.33 2k9x n PRO 66 Ca 0.06 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2k9x n PRO 66 Cb 0.58 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2k9x n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k9x n GLY 67 N 3.49 3.92 3.78 -1.23 0.00 -1.26 -4.45 105.19 109.44 2k9x n GLY 67 Ca 0.17 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2k9x n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k9x s ILE 68 N 0.00 5.20 -0.24 -0.61 1.01 -1.24 0.14 121.20 125.46 2k9x s ILE 68 Ca 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 2k9x s ILE 68 Cb 0.00 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 2k9x s ILE 68 CO 0.00 0.47 -0.02 -0.76 0.00 0.00 0.00 174.94 174.63 2k9x s LEU 69 N -0.21 3.10 -0.15 2.97 1.43 -0.35 -4.88 118.68 120.59 2k9x s LEU 69 Ca 0.21 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 2k9x s LEU 69 Cb -0.15 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2k9x s LEU 69 CO 0.09 -0.06 0.76 0.68 0.23 0.00 0.00 176.35 178.05 2k9x s VAL 70 N 1.47 4.95 -0.08 -1.59 -7.23 -1.26 -3.44 120.40 113.21 2k9x s VAL 70 Ca 0.05 1.51 0.04 0.00 -1.81 0.00 0.00 61.98 61.77 2k9x s VAL 70 Cb -0.15 -4.08 -0.00 0.00 0.56 0.00 0.00 36.38 32.71 2k9x s VAL 70 CO -0.02 0.10 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.88 2k9x s LEU 71 N 1.76 2.04 -0.52 1.32 1.43 -1.21 -1.74 118.68 121.77 2k9x s LEU 71 Ca 0.36 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2k9x s LEU 71 Cb -0.17 -1.33 0.13 0.00 0.03 0.00 0.00 46.19 44.85 2k9x s LEU 71 CO 0.14 0.17 0.43 0.68 0.23 0.00 0.00 176.35 178.00 2k9x s VAL 72 N 0.23 4.65 -1.19 -1.59 -7.23 0.32 -3.15 120.40 112.44 2k9x s VAL 72 Ca -0.14 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2k9x s VAL 72 Cb -0.16 -4.02 -0.01 0.00 0.56 0.00 0.00 36.38 32.75 2k9x s VAL 72 CO 0.07 -0.83 0.97 -3.20 -0.31 0.00 0.00 175.10 171.80 2k9x n ASN 73 N 4.96 -2.53 -2.21 4.85 2.85 -1.20 -2.55 115.26 119.44 2k9x n ASN 73 Ca -0.09 -0.64 -0.16 0.00 -0.11 0.00 0.00 54.58 53.58 2k9x n ASN 73 Cb 0.41 -5.07 0.03 0.00 1.24 0.00 0.00 39.78 36.39 2k9x n ASN 73 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2k9x n SER 74 N -3.13 -4.80 -3.68 1.20 2.88 -1.26 -5.02 113.62 99.81 2k9x n SER 74 Ca -0.26 -0.21 -0.12 0.00 -1.33 0.00 0.00 58.87 56.95 2k9x n SER 74 Cb 0.66 -3.65 -0.12 0.00 -0.75 0.00 0.00 64.21 60.36 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 4.93 1.95 0.24 0.00 8.00 -1.26 0.12 116.55 130.52 2k9x n ASP 76 Ca -0.14 0.74 0.15 0.00 0.71 0.00 0.00 54.79 56.25 2k9x n ASP 76 Cb 0.51 -1.14 0.53 0.00 -0.02 0.00 0.00 41.12 41.00 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 9.59 1.00 0.00 2.24 0.00 -1.66 -2.94 119.26 127.49 2k9x h ALA 77 Ca -0.32 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2k9x h ALA 77 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2k9x h ALA 77 CO 1.01 0.00 -0.26 0.93 0.00 0.00 0.00 179.25 180.93 2k9x h GLU 78 N 0.00 0.00 -0.41 0.00 5.08 -1.85 0.21 114.58 117.61 2k9x h GLU 78 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2k9x h GLU 78 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2k9x h GLU 78 CO 0.00 0.26 0.00 0.28 -1.00 0.00 0.00 179.01 178.56 2k9x h VAL 79 N 0.00 1.22 0.04 3.13 2.07 -1.90 -3.24 116.25 117.57 2k9x h VAL 79 Ca -0.00 -0.90 -0.37 0.00 0.82 0.00 0.00 66.70 66.25 2k9x h VAL 79 Cb 0.86 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2k9x h VAL 79 CO 0.03 0.31 -2.22 1.33 0.02 0.00 0.00 177.57 177.05 2k9x n VAL 80 N -4.24 1.57 0.08 2.57 0.24 -1.15 -4.99 118.33 112.41 2k9x n VAL 80 Ca 0.02 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2k9x n VAL 80 Cb 0.27 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 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 1.99 -1.22 0.00 7.63 0.00 -0.10 -5.02 105.19 108.47 2k9x n GLY 81 Ca -0.35 0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 3.10 0.91 -0.02 0.00 0.55 -4.64 105.19 104.76 2k9x n GLY 82 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.92 1.61 0.00 -1.26 -4.79 117.12 111.75 2k9x n MET 83 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 57.70 56.56 2k9x n MET 83 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 33.22 33.16 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 0.16 0.07 -4.62 3.17 2.03 -1.26 -3.97 116.55 112.12 2k9x n ASP 84 Ca -0.04 -1.80 -0.43 0.00 0.52 0.00 0.00 54.79 53.05 2k9x n ASP 84 Cb 0.81 -0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 41.11 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 3.05 0.51 -0.67 5.04 -1.26 -4.78 117.35 119.24 2k9x s TYR 85 Ca 0.10 0.94 -0.22 0.00 -2.44 0.00 0.00 57.07 55.45 2k9x s TYR 85 Cb 0.12 -3.83 -0.06 0.00 0.35 0.00 0.00 41.96 38.54 2k9x s TYR 85 CO -0.05 -0.89 1.30 0.14 -1.34 0.00 0.00 175.55 174.70 2k9x s VAL 86 N 3.76 2.41 0.58 3.14 -7.23 -1.26 -1.27 120.40 120.52 2k9x s VAL 86 Ca 0.43 0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 60.90 2k9x s VAL 86 Cb -0.11 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.70 2k9x s VAL 86 CO 0.20 0.00 0.84 -0.22 -0.31 0.00 0.00 175.10 175.61 2k9x s LEU 87 N -3.30 3.21 0.06 1.32 2.96 0.16 -4.90 118.68 118.18 2k9x s LEU 87 Ca 0.68 0.24 -0.27 0.00 -0.22 0.00 0.00 54.13 54.55 2k9x s LEU 87 Cb -0.37 -3.05 0.09 0.00 0.50 0.00 0.00 46.19 43.36 2k9x s LEU 87 CO 0.44 -1.18 0.99 0.54 -1.32 0.00 0.00 176.35 175.82 2k9x s ASN 88 N -4.40 -0.22 -0.66 3.68 2.20 -1.26 -4.71 114.94 109.56 2k9x s ASN 88 Ca 0.56 -0.22 -0.26 0.00 -0.94 0.00 0.00 52.86 52.01 2k9x s ASN 88 Cb -0.10 0.39 -0.07 0.00 -2.00 0.00 0.00 41.25 39.47 2k9x s ASN 88 CO 0.41 -0.69 2.18 -1.81 -2.94 0.00 0.00 177.10 174.24 2k9x s ASP 89 N -2.75 4.66 0.00 3.54 1.01 -1.26 -1.70 116.67 120.16 2k9x s ASP 89 Ca 0.10 0.35 0.00 0.00 0.71 0.00 0.00 52.55 53.71 2k9x s ASP 89 Cb -0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2k9x s ASP 89 CO -0.03 -2.94 0.00 0.61 0.21 0.00 0.00 175.17 173.02 2k9x n GLY 90 N 6.24 1.96 3.90 0.21 0.00 0.17 -4.71 105.19 112.97 2k9x n GLY 90 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 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 6.34 -0.01 1.61 2.15 -0.69 -4.88 116.67 119.19 2k9x s ASP 91 Ca 0.00 0.96 0.01 0.00 0.43 0.00 0.00 52.55 53.95 2k9x s ASP 91 Cb 0.00 -2.26 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 2k9x s ASP 91 CO 0.00 -0.51 -0.01 -0.89 -0.17 0.00 0.00 175.17 173.59 2k9x s THR 92 N -2.61 0.16 -0.08 1.71 2.01 -1.26 0.28 115.64 115.86 2k9x s THR 92 Ca 0.48 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 2k9x s THR 92 Cb -0.10 -0.17 0.05 0.00 0.01 0.00 0.00 72.50 72.28 2k9x s THR 92 CO 0.40 0.07 0.16 0.54 -0.69 0.00 0.00 174.62 175.10 2k9x s VAL 93 N 0.28 -0.25 0.08 3.82 0.11 -0.29 -3.27 120.40 120.88 2k9x s VAL 93 Ca -0.02 0.35 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 2k9x s VAL 93 Cb -0.05 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2k9x s VAL 93 CO -0.01 0.15 -0.21 -1.61 -3.33 0.00 0.00 175.10 170.10 2k9x s GLU 94 N 2.25 1.22 -0.32 1.54 2.02 -1.19 -3.00 118.70 121.23 2k9x s GLU 94 Ca 0.03 -1.06 0.02 0.00 0.02 0.00 0.00 54.97 53.98 2k9x s GLU 94 Cb -0.12 -1.42 0.08 0.00 0.10 0.00 0.00 34.13 32.78 2k9x s GLU 94 CO -0.06 0.34 0.01 -0.06 0.02 0.00 0.00 175.26 175.51 2k9x s PHE 95 N -1.02 3.53 -0.26 1.61 0.08 -1.20 -3.28 117.98 117.45 2k9x s PHE 95 Ca 0.07 -2.60 -0.00 0.00 0.12 0.00 0.00 56.93 54.51 2k9x s PHE 95 Cb -0.09 -2.54 0.04 0.00 -0.57 0.00 0.00 43.02 39.86 2k9x s PHE 95 CO 0.03 -0.91 -0.07 0.42 -0.10 0.00 0.00 175.22 174.59 2k9x s ILE 96 N 1.03 2.67 -1.09 0.64 1.01 -1.22 -1.44 121.20 122.81 2k9x s ILE 96 Ca 0.02 -1.27 -0.22 0.00 0.00 0.00 0.00 60.65 59.19 2k9x s ILE 96 Cb -0.20 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2k9x s ILE 96 CO -0.06 0.08 1.60 -0.55 0.00 0.00 0.00 174.94 176.02 2k9x s SER 97 N 1.25 6.36 0.00 3.58 0.15 -1.20 -1.22 113.70 122.63 2k9x s SER 97 Ca -0.03 -1.63 -0.02 0.00 0.70 0.00 0.00 55.95 54.97 2k9x s SER 97 Cb -0.18 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 2k9x s SER 97 CO -0.04 -1.64 0.85 0.71 1.20 0.00 0.00 173.24 174.32 2k9x h THR 98 N 6.51 0.00 -1.69 6.45 1.35 -0.68 -3.45 112.91 121.41 2k9x h THR 98 Ca 0.25 -0.01 -0.54 0.00 -0.55 0.00 0.00 66.41 65.57 2k9x h THR 98 Cb 0.97 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.33 2k9x h THR 98 CO 1.40 0.00 -0.48 -0.22 -0.25 0.00 0.00 175.52 175.98 2k9x s LEU 99 N -4.34 3.26 -0.59 3.87 2.96 -1.22 -5.07 118.68 117.55 2k9x s LEU 99 Ca -0.01 -0.86 0.05 0.00 -0.22 0.00 0.00 54.13 53.10 2k9x s LEU 99 Cb 0.00 -1.74 0.20 0.00 0.50 0.00 0.00 46.19 45.15 2k9x s LEU 99 CO 0.03 -0.48 0.53 1.57 -1.32 0.00 0.00 176.35 176.68 2k9x n HIS 100 N -1.29 2.02 0.00 5.38 -0.00 -1.26 -4.17 115.22 115.89 2k9x n HIS 100 Ca -0.01 -3.97 0.00 0.00 0.46 0.00 0.00 57.72 54.20 2k9x n HIS 100 Cb 0.62 -0.39 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 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 1.80 1.25 0.00 1.57 0.00 -1.26 -5.10 105.19 103.45 2k9x n GLY 101 Ca 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93