#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 0.83 -3.97 7.83 2.88 -1.26 -5.10 113.62 114.84 2k9x n SER 2 Ca 0.00 0.10 -0.16 0.00 -1.33 0.00 0.00 58.87 57.49 2k9x n SER 2 Cb 0.00 -0.26 -0.14 0.00 -0.75 0.00 0.00 64.21 63.06 2k9x n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2k9x s ASN 3 N -5.73 0.65 -0.49 -3.46 3.84 -1.26 -5.10 114.94 103.40 2k9x s ASN 3 Ca -0.00 -0.13 0.07 0.00 0.21 0.00 0.00 52.86 53.00 2k9x s ASN 3 Cb 0.00 -0.06 0.19 0.00 -0.55 0.00 0.00 41.25 40.82 2k9x s ASN 3 CO 0.00 0.05 0.68 -1.00 -2.79 0.00 0.00 177.10 174.04 2k9x s HIS 4 N -0.22 -1.44 -0.15 0.43 3.76 -1.26 -5.14 115.29 111.27 2k9x s HIS 4 Ca 0.01 -0.54 -0.04 0.00 -0.15 0.00 0.00 55.06 54.35 2k9x s HIS 4 Cb -0.03 0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.86 2k9x s HIS 4 CO -0.00 -1.23 -0.03 0.54 -0.85 0.00 0.00 174.74 173.17 2k9x s ASN 5 N 1.01 4.83 0.00 1.40 2.20 -1.26 -4.79 114.94 118.33 2k9x s ASN 5 Ca 0.27 -0.11 0.00 0.00 -0.94 0.00 0.00 52.86 52.08 2k9x s ASN 5 Cb -0.01 -1.76 0.00 0.00 -2.00 0.00 0.00 41.25 37.48 2k9x s ASN 5 CO -0.06 0.18 0.00 1.57 -2.94 0.00 0.00 177.10 175.85 2k9x n HIS 6 N 3.44 0.00 -4.30 1.54 -0.00 -0.30 -4.99 115.22 110.63 2k9x n HIS 6 Ca -0.17 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.73 2k9x n HIS 6 Cb 0.52 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.29 2k9x n HIS 6 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2k9x s ILE 7 N -2.00 3.03 -0.37 3.57 -1.09 -1.00 -3.30 121.20 120.04 2k9x s ILE 7 Ca 0.00 -1.58 -0.01 0.00 -2.23 0.00 0.00 60.65 56.83 2k9x s ILE 7 Cb 0.00 -2.45 0.10 0.00 -1.58 0.00 0.00 42.46 38.53 2k9x s ILE 7 CO 0.00 -0.01 0.13 -0.89 -1.23 0.00 0.00 174.94 172.94 2k9x s THR 8 N -1.44 2.96 -0.27 2.92 2.01 -0.82 -3.48 115.64 117.52 2k9x s THR 8 Ca 0.22 -2.02 0.03 0.00 0.31 0.00 0.00 61.69 60.22 2k9x s THR 8 Cb -0.10 -3.01 0.07 0.00 0.01 0.00 0.00 72.50 69.47 2k9x s THR 8 CO 0.13 -0.57 -0.08 0.54 -0.69 0.00 0.00 174.62 173.95 2k9x s VAL 9 N 1.09 2.14 0.12 3.82 0.11 -0.02 -0.13 120.40 127.54 2k9x s VAL 9 Ca 0.07 -1.71 0.05 0.00 -2.93 0.00 0.00 61.98 57.45 2k9x s VAL 9 Cb -0.21 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 2k9x s VAL 9 CO -0.05 -0.12 -0.11 0.00 -3.33 0.00 0.00 175.10 171.49 2k9x s GLN 10 N 1.09 0.98 0.03 1.54 0.00 -1.18 0.56 119.66 122.69 2k9x s GLN 10 Ca -0.06 -1.29 0.06 0.00 -0.00 0.00 0.00 55.36 54.07 2k9x s GLN 10 Cb -0.20 -0.68 -0.03 0.00 0.00 0.00 0.00 33.01 32.10 2k9x s GLN 10 CO -0.06 0.11 -0.16 -0.06 0.00 0.00 0.00 175.29 175.12 2k9x s PHE 11 N -2.68 2.63 0.01 9.60 0.08 0.05 -2.67 117.98 124.99 2k9x s PHE 11 Ca 0.11 -0.21 -0.13 0.00 0.12 0.00 0.00 56.93 56.81 2k9x s PHE 11 Cb -0.01 -1.49 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 2k9x s PHE 11 CO 0.01 0.28 0.28 0.00 -0.10 0.00 0.00 175.22 175.69 2k9x s ALA 12 N -0.94 -0.68 0.00 5.36 0.00 -1.01 -4.76 121.76 119.74 2k9x s ALA 12 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2k9x s ALA 12 Cb -0.11 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2k9x s ALA 12 CO 0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2k9x n GLY 13 N 1.02 2.15 1.21 0.00 0.00 -1.26 -2.98 105.19 105.34 2k9x n GLY 13 Ca -0.21 0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.84 0.58 -0.02 0.00 -1.17 -4.85 105.19 100.58 2k9x n GLY 14 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 0.60 0.65 0.17 0.00 0.00 -1.26 -4.08 120.64 116.72 2k9x n GLU 16 Ca 0.10 0.19 0.13 0.00 0.00 0.00 0.00 57.16 57.58 2k9x n GLU 16 Cb 0.37 -1.72 0.58 0.00 0.00 0.00 0.00 31.44 30.67 2k9x n GLU 16 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2k9x h LEU 17 N 0.00 0.00 -0.71 -1.84 4.07 -1.93 0.31 115.31 115.20 2k9x h LEU 17 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2k9x h LEU 17 Cb 1.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.72 2k9x h LEU 17 CO 0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.42 2k9x n LEU 18 N -2.38 0.96 0.06 1.67 -0.00 -1.26 -4.42 117.00 111.62 2k9x n LEU 18 Ca 0.01 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.54 2k9x n LEU 18 Cb 0.18 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2k9x n LEU 18 CO 0.18 0.20 0.00 0.33 -0.00 0.00 0.00 177.39 178.10 2k9x n PHE 19 N -0.08 -1.30 -2.21 1.47 7.35 -0.98 -2.65 117.46 119.06 2k9x n PHE 19 Ca 0.04 0.23 -0.01 0.00 -0.76 0.00 0.00 57.45 56.96 2k9x n PHE 19 Cb 0.19 0.73 0.01 0.00 0.35 0.00 0.00 39.48 40.76 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 -2.85 -0.76 -3.26 3.13 0.00 -0.97 -4.56 120.51 111.24 2k9x n ALA 20 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2k9x n ALA 20 Cb 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.21 -3.29 -1.62 0.00 4.01 0.10 -4.94 118.16 112.21 2k9x n LYS 21 Ca -0.05 0.48 -0.30 0.00 -0.51 0.00 0.00 58.31 57.94 2k9x n LYS 21 Cb 0.50 -5.18 0.22 0.00 -0.51 0.00 0.00 35.03 30.06 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 -5.90 -0.35 0.00 1.97 -1.52 -1.25 -4.96 119.66 107.65 2k9x s GLN 22 Ca 0.35 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 2k9x s GLN 22 Cb -0.19 -1.73 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 2k9x s GLN 22 CO 0.44 -3.08 0.00 0.25 -0.25 0.00 0.00 175.29 172.65 2k9x n THR 23 N -4.24 0.00 -4.14 -0.19 -2.24 -1.26 -4.58 114.28 97.63 2k9x n THR 23 Ca 0.16 0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.93 2k9x n THR 23 Cb 0.59 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.41 1.07 0.19 3.42 1.04 -1.26 -0.77 113.70 114.97 2k9x s SER 24 Ca 0.00 -0.86 -0.11 0.00 0.48 0.00 0.00 55.95 55.45 2k9x s SER 24 Cb 0.00 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 2k9x s SER 24 CO 0.00 -0.38 0.38 -0.22 0.98 0.00 0.00 173.24 174.00 2k9x s LEU 25 N -2.58 0.61 0.06 2.42 2.96 0.19 -4.93 118.68 117.41 2k9x s LEU 25 Ca 0.05 -0.82 0.07 0.00 -0.22 0.00 0.00 54.13 53.21 2k9x s LEU 25 Cb 0.00 1.52 -0.03 0.00 0.50 0.00 0.00 46.19 48.18 2k9x s LEU 25 CO -0.03 -0.99 -0.19 -1.10 -1.32 0.00 0.00 176.35 172.72 2k9x s GLN 26 N -3.97 1.18 0.01 1.98 -0.21 -1.25 -0.84 119.66 116.56 2k9x s GLN 26 Ca 0.18 -0.95 0.05 0.00 0.02 0.00 0.00 55.36 54.66 2k9x s GLN 26 Cb 0.01 -1.30 -0.02 0.00 1.00 0.00 0.00 33.01 32.71 2k9x s GLN 26 CO 0.02 0.32 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.85 2k9x s LEU 27 N -1.37 2.09 -0.38 2.90 1.43 -1.23 -4.88 118.68 117.24 2k9x s LEU 27 Ca 0.05 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 2k9x s LEU 27 Cb -0.09 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.42 2k9x s LEU 27 CO 0.02 0.13 0.24 -0.62 0.23 0.00 0.00 176.35 176.35 2k9x s ASP 28 N -0.72 5.90 -0.18 2.29 2.15 -1.26 -2.36 116.67 122.48 2k9x s ASP 28 Ca 0.04 -0.86 0.08 0.00 0.43 0.00 0.00 52.55 52.25 2k9x s ASP 28 Cb -0.07 -2.09 -0.22 0.00 -0.30 0.00 0.00 42.92 40.24 2k9x s ASP 28 CO 0.00 -0.38 0.10 0.61 -0.17 0.00 0.00 175.17 175.33 2k9x n GLY 29 N 5.07 -0.71 5.00 2.66 0.00 -1.26 -4.99 105.19 110.96 2k9x n GLY 29 Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2k9x n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k9x n VAL 30 N -3.08 0.00 -2.88 1.61 0.31 -1.26 -4.06 118.33 108.97 2k9x n VAL 30 Ca -0.35 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.76 2k9x n VAL 30 Cb 1.07 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.98 2k9x n VAL 30 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2k9x n VAL 31 N 0.00 1.72 1.96 2.52 0.24 -1.26 -4.88 118.33 118.63 2k9x n VAL 31 Ca 0.00 -4.81 0.05 0.00 -2.04 0.00 0.00 64.34 57.54 2k9x n VAL 31 Cb 0.00 -0.75 0.32 0.00 -1.47 0.00 0.00 33.84 31.94 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 -0.12 0.98 -0.20 7.34 -0.04 -1.26 -4.12 135.00 137.59 2k9x n PRO 32 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2k9x n PRO 32 Cb 0.58 -1.17 0.11 0.00 -0.04 0.00 0.00 33.50 32.98 2k9x n PRO 32 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k9x h THR 33 N 0.00 0.72 -0.83 0.52 2.02 -1.90 -2.32 112.91 111.11 2k9x h THR 33 Ca 0.00 -0.12 -0.43 0.00 0.77 0.00 0.00 66.41 66.63 2k9x h THR 33 Cb 0.00 0.34 -0.15 0.00 -1.74 0.00 0.00 68.15 66.60 2k9x h THR 33 CO 0.00 0.06 0.24 0.61 0.37 0.00 0.00 175.52 176.80 2k9x n GLY 34 N -1.30 4.06 3.28 2.16 0.00 -1.26 -4.61 105.19 107.52 2k9x n GLY 34 Ca 0.09 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.60 -0.00 0.29 2.61 2.01 -0.87 -5.10 115.64 112.97 2k9x s THR 35 Ca 0.59 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.63 2k9x s THR 35 Cb 0.36 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 72.34 2k9x s THR 35 CO -0.17 0.01 0.19 -0.46 -0.69 0.00 0.00 174.62 173.49 2k9x n ASN 36 N 3.06 2.05 -0.27 3.53 0.23 -1.26 -1.41 115.26 121.19 2k9x n ASN 36 Ca -0.15 -2.04 -0.03 0.00 -0.53 0.00 0.00 54.58 51.84 2k9x n ASN 36 Cb 0.57 0.01 0.09 0.00 -2.08 0.00 0.00 39.78 38.36 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 0.77 -1.24 -4.53 6.46 -1.47 0.12 115.31 115.43 2k9x h LEU 37 Ca -0.19 -0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.67 2k9x h LEU 37 Cb 0.68 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 2k9x h LEU 37 CO 0.30 0.53 0.57 -1.13 -0.62 0.00 0.00 178.44 178.09 2k9x h ASN 38 N 0.92 0.75 0.71 1.25 -1.24 -1.85 -0.41 115.58 115.71 2k9x h ASN 38 Ca 0.30 0.03 -0.21 0.00 0.71 0.00 0.00 56.30 57.12 2k9x h ASN 38 Cb 0.01 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 2k9x h ASN 38 CO -0.11 0.43 -0.97 1.23 -1.29 0.00 0.00 177.43 176.72 2k9x h GLY 39 N 0.82 0.16 0.88 1.57 0.00 -1.62 -2.91 103.07 101.97 2k9x h GLY 39 Ca 0.41 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 2k9x h GLY 39 CO -0.18 0.30 0.04 -2.00 0.00 0.00 0.00 176.54 174.70 2k9x h LEU 40 N 0.07 0.11 0.64 3.11 5.85 0.77 0.46 115.31 126.32 2k9x h LEU 40 Ca -0.05 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 2k9x h LEU 40 Cb 1.65 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.66 2k9x h LEU 40 CO 0.14 0.23 -0.31 -0.37 -0.34 0.00 0.00 178.44 177.79 2k9x h VAL 41 N -0.00 0.33 -0.34 1.05 -1.51 -1.31 0.15 116.25 114.61 2k9x h VAL 41 Ca 0.03 -0.15 0.10 0.00 -1.23 0.00 0.00 66.70 65.45 2k9x h VAL 41 Cb 0.14 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2k9x h VAL 41 CO -0.00 0.02 0.28 -0.61 -1.23 0.00 0.00 177.57 176.03 2k9x h GLN 42 N -0.96 0.00 0.00 5.19 4.15 -1.53 0.25 115.11 122.21 2k9x h GLN 42 Ca -0.09 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 2k9x h GLN 42 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2k9x h GLN 42 CO 0.14 0.00 -0.63 1.25 -1.93 0.00 0.00 178.83 177.66 2k9x h LEU 43 N 0.00 0.00 0.07 -2.39 6.46 -0.51 -3.14 115.31 115.81 2k9x h LEU 43 Ca 0.16 0.00 -0.37 0.00 -0.12 0.00 0.00 57.88 57.55 2k9x h LEU 43 Cb 0.73 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 2k9x h LEU 43 CO -0.00 0.19 -2.13 0.00 -0.62 0.00 0.00 178.44 175.87 2k9x n LEU 44 N -2.96 2.68 0.14 2.25 -0.00 0.49 -3.55 117.00 116.05 2k9x n LEU 44 Ca 0.00 0.11 -0.11 0.00 -0.00 0.00 0.00 56.01 56.02 2k9x n LEU 44 Cb 0.62 -1.03 -0.07 0.00 -0.00 0.00 0.00 43.42 42.95 2k9x n LEU 44 CO 0.39 0.84 0.38 0.07 -0.00 0.00 0.00 177.39 179.06 2k9x h LYS 45 N -0.07 -0.40 0.00 1.47 2.10 -0.80 -3.05 116.57 115.83 2k9x h LYS 45 Ca -0.48 0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2k9x h LYS 45 Cb 1.93 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 33.35 2k9x h LYS 45 CO -0.01 -0.08 -0.00 1.15 -2.00 0.00 0.00 179.45 178.51 2k9x h THR 46 N -0.95 0.03 -0.31 0.07 2.02 -1.74 -1.86 112.91 110.18 2k9x h THR 46 Ca -0.04 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 2k9x h THR 46 Cb 0.50 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2k9x h THR 46 CO 0.07 0.00 -0.08 0.78 0.37 0.00 0.00 175.52 176.66 2k9x h ASN 47 N 0.00 0.61 0.00 4.18 -0.26 -1.58 -3.46 115.58 115.07 2k9x h ASN 47 Ca -0.00 -0.37 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 2k9x h ASN 47 Cb 0.04 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2k9x h ASN 47 CO 0.00 0.83 0.00 0.00 -1.06 0.00 0.00 177.43 177.20 2k9x n TYR 48 N -4.46 -2.65 -3.24 1.19 9.36 -0.77 -5.09 117.16 111.51 2k9x n TYR 48 Ca -0.03 0.63 -0.14 0.00 3.32 0.00 0.00 57.90 61.68 2k9x n TYR 48 Cb 0.33 1.41 0.01 0.00 -0.63 0.00 0.00 39.34 40.46 2k9x n TYR 48 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2k9x n VAL 49 N -3.22 -4.03 -0.07 2.97 3.14 -0.78 -4.88 118.33 111.46 2k9x n VAL 49 Ca 0.00 0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 61.80 2k9x n VAL 49 Cb 0.00 -3.76 -0.01 0.00 -1.06 0.00 0.00 33.84 29.01 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 2.95 0.22 0.00 1.45 1.57 -1.83 -3.44 116.57 117.49 2k9x h LYS 50 Ca -0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2k9x h LYS 50 Cb 1.05 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2k9x h LYS 50 CO 0.10 0.14 0.00 -1.91 -0.57 0.00 0.00 179.45 177.21 2k9x n GLU 51 N -5.03 2.70 -2.10 3.15 4.07 -1.09 -4.98 120.64 117.36 2k9x n GLU 51 Ca -0.01 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.68 2k9x n GLU 51 Cb 0.09 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.45 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 1.96 4.34 0.17 5.31 3.00 -1.26 -4.94 118.95 127.52 2k9x s ARG 52 Ca 0.00 2.22 0.08 0.00 0.00 0.00 0.00 55.73 58.03 2k9x s ARG 52 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 34.95 31.81 2k9x s ARG 52 CO 0.00 -0.25 1.38 -1.00 0.00 0.00 0.00 175.30 175.43 2k9x h PRO 53 N 4.06 0.00 -0.55 3.54 0.13 -1.95 -3.22 132.00 134.01 2k9x h PRO 53 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.70 0.88 0.00 -3.47 -0.23 0.00 0.00 178.00 175.88 2k9x n ASP 54 N -3.48 2.99 0.14 1.44 -0.08 -1.26 -4.17 116.55 112.13 2k9x n ASP 54 Ca -0.00 -2.05 0.02 0.00 -1.51 0.00 0.00 54.79 51.25 2k9x n ASP 54 Cb 0.84 -0.38 0.09 0.00 2.34 0.00 0.00 41.12 44.01 2k9x n ASP 54 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2k9x h LEU 55 N 3.14 0.00 0.00 -2.67 8.10 -1.96 -3.37 115.31 118.55 2k9x h LEU 55 Ca 0.00 0.00 -0.38 0.00 0.11 0.00 0.00 57.88 57.61 2k9x h LEU 55 Cb 0.78 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.94 2k9x h LEU 55 CO 0.02 0.53 -2.12 0.00 -4.11 0.00 0.00 178.44 172.76 2k9x n LEU 56 N -3.32 1.93 -4.74 0.17 -0.00 -1.26 -4.88 117.00 104.90 2k9x n LEU 56 Ca 0.01 0.36 -0.37 0.00 -0.00 0.00 0.00 56.01 56.02 2k9x n LEU 56 Cb 0.70 -0.85 0.06 0.00 -0.00 0.00 0.00 43.42 43.33 2k9x n LEU 56 CO 0.40 0.44 0.90 0.68 -0.00 0.00 0.00 177.39 179.82 2k9x s VAL 57 N -2.49 2.12 0.04 1.47 -7.23 -1.26 0.96 120.40 114.01 2k9x s VAL 57 Ca -0.36 0.07 -0.31 0.00 -1.81 0.00 0.00 61.98 59.58 2k9x s VAL 57 Cb 0.12 -3.03 -0.17 0.00 0.56 0.00 0.00 36.38 33.86 2k9x s VAL 57 CO 0.51 -0.01 1.39 -0.78 -0.31 0.00 0.00 175.10 175.89 2k9x h ASP 58 N 0.68 -0.93 0.00 4.85 3.58 0.08 -3.35 116.42 121.32 2k9x h ASP 58 Ca -0.51 0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2k9x h ASP 58 Cb 1.33 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.62 2k9x h ASP 58 CO 0.54 -0.64 0.00 0.00 -2.88 0.00 0.00 179.24 176.26 2k9x n GLN 59 N -5.14 0.00 -0.12 0.28 1.13 -1.26 -4.83 117.38 107.44 2k9x n GLN 59 Ca -0.14 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 54.95 2k9x n GLN 59 Cb 0.44 0.00 0.09 0.00 0.11 0.00 0.00 30.24 30.87 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k9x n THR 60 N -1.42 0.32 -2.23 5.09 -2.24 -1.26 -4.88 114.28 107.66 2k9x n THR 60 Ca 0.00 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 2k9x n THR 60 Cb 0.00 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.12 0.37 3.38 0.00 -1.26 -4.78 105.19 103.49 2k9x n GLY 61 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.69 0.19 -5.09 1.61 7.27 -1.26 -4.84 117.38 112.57 2k9x n GLN 62 Ca -0.17 0.06 -0.28 0.00 0.07 0.00 0.00 57.00 56.68 2k9x n GLN 62 Cb 0.60 -0.99 -0.16 0.00 2.41 0.00 0.00 30.24 32.11 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 -2.16 1.74 0.69 1.69 -1.32 -1.26 -4.73 115.64 110.30 2k9x s THR 63 Ca -0.11 -0.94 -0.15 0.00 -1.21 0.00 0.00 61.69 59.28 2k9x s THR 63 Cb 0.04 -1.45 0.02 0.00 -1.51 0.00 0.00 72.50 69.60 2k9x s THR 63 CO 0.17 0.49 1.15 -0.76 -2.21 0.00 0.00 174.62 173.46 2k9x s LEU 64 N -0.51 3.34 0.63 9.08 1.43 -1.26 0.67 118.68 132.07 2k9x s LEU 64 Ca 0.08 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.18 2k9x s LEU 64 Cb -0.09 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.55 2k9x s LEU 64 CO -0.01 -1.91 1.07 0.00 0.23 0.00 0.00 176.35 175.73 2k9x s ARG 65 N -4.04 3.11 0.35 1.70 1.70 0.27 -4.17 118.95 117.86 2k9x s ARG 65 Ca 0.70 1.18 -0.27 0.00 -0.47 0.00 0.00 55.73 56.86 2k9x s ARG 65 Cb -0.24 -2.01 -0.12 0.00 -0.57 0.00 0.00 34.95 32.02 2k9x s ARG 65 CO 0.43 -0.98 1.21 -2.30 -1.08 0.00 0.00 175.30 172.59 2k9x n PRO 66 N -2.38 1.90 0.00 3.89 -0.02 -1.26 -3.53 135.00 133.60 2k9x n PRO 66 Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2k9x n PRO 66 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.89 3.45 3.82 -1.23 0.00 -1.26 -4.84 105.19 106.02 2k9x n GLY 67 Ca 0.06 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 4.38 -0.28 -0.61 1.01 -1.23 -0.66 121.20 123.81 2k9x s ILE 68 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2k9x s ILE 68 Cb 0.00 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 38.95 2k9x s ILE 68 CO 0.00 -0.32 0.04 -0.76 0.00 0.00 0.00 174.94 173.90 2k9x s LEU 69 N -3.18 2.63 -0.11 2.97 1.43 -0.56 -4.88 118.68 116.98 2k9x s LEU 69 Ca 0.62 -1.48 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 2k9x s LEU 69 Cb -0.09 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2k9x s LEU 69 CO 0.13 -0.34 1.13 0.68 0.23 0.00 0.00 176.35 178.18 2k9x s VAL 70 N 1.46 4.47 0.00 -1.59 -7.23 -1.25 -3.37 120.40 112.90 2k9x s VAL 70 Ca 0.04 1.77 0.06 0.00 -1.81 0.00 0.00 61.98 62.05 2k9x s VAL 70 Cb -0.18 -4.14 -0.02 0.00 0.56 0.00 0.00 36.38 32.60 2k9x s VAL 70 CO -0.14 -0.05 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.64 2k9x s LEU 71 N 2.52 2.08 -0.37 1.32 1.43 -1.15 -1.92 118.68 122.59 2k9x s LEU 71 Ca 0.52 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2k9x s LEU 71 Cb -0.21 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.07 2k9x s LEU 71 CO 0.17 0.22 0.16 -0.69 0.23 0.00 0.00 176.35 176.44 2k9x s VAL 72 N -0.56 3.82 -1.13 -1.59 1.01 0.27 -2.71 120.40 119.51 2k9x s VAL 72 Ca 0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 2k9x s VAL 72 Cb -0.08 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2k9x s VAL 72 CO -0.00 -0.35 0.94 0.59 0.00 0.00 0.00 175.10 176.28 2k9x n ASN 73 N 4.81 -4.46 -3.55 3.32 3.02 -1.23 -3.07 115.26 114.09 2k9x n ASN 73 Ca -0.10 -0.69 -0.19 0.00 -0.03 0.00 0.00 54.58 53.56 2k9x n ASN 73 Cb 0.44 -5.06 0.07 0.00 -0.61 0.00 0.00 39.78 34.61 2k9x n ASN 73 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k9x n SER 74 N -3.16 -2.03 -3.60 6.41 2.88 -1.26 -5.00 113.62 107.85 2k9x n SER 74 Ca -0.17 -0.69 -0.14 0.00 -1.33 0.00 0.00 58.87 56.54 2k9x n SER 74 Cb 0.64 -4.72 -0.07 0.00 -0.75 0.00 0.00 64.21 59.32 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 1.93 3.24 0.25 0.00 9.92 -1.26 0.98 116.55 131.61 2k9x n ASP 76 Ca -0.15 1.01 0.15 0.00 -0.53 0.00 0.00 54.79 55.27 2k9x n ASP 76 Cb 0.56 -1.36 0.42 0.00 -0.64 0.00 0.00 41.12 40.10 2k9x n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9x h ALA 77 N 8.30 1.00 0.00 2.24 0.00 -1.71 -3.09 119.26 126.01 2k9x h ALA 77 Ca -0.48 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2k9x h ALA 77 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k9x h ALA 77 CO 0.93 0.00 -0.29 0.93 0.00 0.00 0.00 179.25 180.83 2k9x h GLU 78 N 0.00 0.00 -0.54 0.00 4.39 -1.83 0.47 114.58 117.07 2k9x h GLU 78 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 2k9x h GLU 78 Cb 0.76 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2k9x h GLU 78 CO 0.00 0.29 0.37 0.28 -1.16 0.00 0.00 179.01 178.79 2k9x h VAL 79 N 0.00 0.86 0.00 3.13 2.07 -1.93 -3.12 116.25 117.26 2k9x h VAL 79 Ca -0.00 -0.10 -0.28 0.00 0.82 0.00 0.00 66.70 67.14 2k9x h VAL 79 Cb 0.80 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2k9x h VAL 79 CO 0.04 0.05 -2.05 1.33 0.02 0.00 0.00 177.57 176.95 2k9x n VAL 80 N -4.45 1.06 0.15 2.57 0.24 -1.13 -5.01 118.33 111.75 2k9x n VAL 80 Ca 0.09 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2k9x n VAL 80 Cb 0.41 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 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 2.56 -1.16 0.18 7.63 0.00 -0.38 -5.02 105.19 109.00 2k9x n GLY 81 Ca -0.32 0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.74 2.78 0.77 -0.02 0.00 0.15 -4.49 105.19 103.64 2k9x n GLY 82 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 0.24 -1.16 1.61 0.00 -1.26 -4.73 117.12 111.82 2k9x n MET 83 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 57.70 56.09 2k9x n MET 83 Cb 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 33.22 32.70 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 -0.07 0.51 -4.64 3.17 2.03 -1.26 -3.76 116.55 112.53 2k9x n ASP 84 Ca 0.05 -1.96 -0.43 0.00 0.52 0.00 0.00 54.79 52.97 2k9x n ASP 84 Cb 0.83 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 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 2.98 0.18 -0.67 6.14 -1.26 -4.67 117.35 120.05 2k9x s TYR 85 Ca 0.21 1.10 -0.30 0.00 0.64 0.00 0.00 57.07 58.72 2k9x s TYR 85 Cb 0.24 -3.65 -0.08 0.00 0.42 0.00 0.00 41.96 38.89 2k9x s TYR 85 CO -0.10 -1.20 1.11 0.14 0.64 0.00 0.00 175.55 176.13 2k9x s VAL 86 N 3.76 3.82 0.54 3.14 -7.23 -1.26 -1.45 120.40 121.72 2k9x s VAL 86 Ca 0.50 1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 62.20 2k9x s VAL 86 Cb -0.16 -4.01 -0.02 0.00 0.56 0.00 0.00 36.38 32.75 2k9x s VAL 86 CO 0.16 0.28 0.85 -0.76 -0.31 0.00 0.00 175.10 175.32 2k9x s LEU 87 N -0.43 3.43 -0.10 1.32 1.02 -0.50 -4.99 118.68 118.42 2k9x s LEU 87 Ca 0.49 0.85 0.19 0.00 0.02 0.00 0.00 54.13 55.68 2k9x s LEU 87 Cb -0.30 -3.76 0.36 0.00 0.02 0.00 0.00 46.19 42.52 2k9x s LEU 87 CO 0.35 -0.81 1.16 -3.20 0.02 0.00 0.00 176.35 173.87 2k9x n ASN 88 N -2.43 0.48 -2.14 2.29 5.15 -1.26 -3.98 115.26 113.36 2k9x n ASN 88 Ca 0.03 -2.03 -0.21 0.00 -0.60 0.00 0.00 54.58 51.77 2k9x n ASN 88 Cb 0.56 -0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.66 2k9x n ASN 88 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k9x n ASP 89 N -0.09 -5.75 -2.11 1.20 2.03 -1.26 -4.77 116.55 105.80 2k9x n ASP 89 Ca -0.03 0.12 -0.01 0.00 0.52 0.00 0.00 54.79 55.39 2k9x n ASP 89 Cb 0.95 -4.84 0.07 0.00 -0.72 0.00 0.00 41.12 36.57 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9x n GLY 90 N -0.87 0.59 3.91 0.27 0.00 -1.21 -1.14 105.19 106.75 2k9x n GLY 90 Ca -0.23 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.59 5.48 -0.03 1.61 2.15 -1.25 -4.99 116.67 119.05 2k9x s ASP 91 Ca 0.05 -0.44 0.04 0.00 0.43 0.00 0.00 52.55 52.62 2k9x s ASP 91 Cb 0.23 -0.94 -0.01 0.00 -0.30 0.00 0.00 42.92 41.91 2k9x s ASP 91 CO -0.07 -0.48 -0.15 -0.89 -0.17 0.00 0.00 175.17 173.42 2k9x s THR 92 N -2.30 1.24 -0.04 1.71 2.01 -1.26 -1.94 115.64 115.06 2k9x s THR 92 Ca 0.45 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 2k9x s THR 92 Cb -0.07 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.40 2k9x s THR 92 CO 0.29 0.36 0.09 0.54 -0.69 0.00 0.00 174.62 175.21 2k9x s VAL 93 N -0.08 -0.03 -0.01 3.82 0.11 0.82 -3.56 120.40 121.47 2k9x s VAL 93 Ca -0.00 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.19 2k9x s VAL 93 Cb -0.09 -0.16 -0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2k9x s VAL 93 CO 0.01 0.05 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.13 2k9x s GLU 94 N 0.68 0.73 -0.38 1.54 2.02 -1.10 -3.09 118.70 119.10 2k9x s GLU 94 Ca -0.05 -0.29 -0.06 0.00 0.02 0.00 0.00 54.97 54.59 2k9x s GLU 94 Cb -0.07 -0.70 0.07 0.00 0.10 0.00 0.00 34.13 33.53 2k9x s GLU 94 CO -0.03 0.16 0.17 -0.06 0.02 0.00 0.00 175.26 175.52 2k9x s PHE 95 N -0.08 3.37 -0.42 1.61 0.40 -1.09 -2.94 117.98 118.83 2k9x s PHE 95 Ca 0.01 -1.77 -0.05 0.00 -0.60 0.00 0.00 56.93 54.52 2k9x s PHE 95 Cb -0.05 -2.74 0.11 0.00 0.51 0.00 0.00 43.02 40.86 2k9x s PHE 95 CO -0.00 -0.84 0.24 0.42 0.70 0.00 0.00 175.22 175.74 2k9x s ILE 96 N 1.32 3.62 -0.45 0.64 1.01 -1.22 -2.41 121.20 123.71 2k9x s ILE 96 Ca 0.02 -1.90 -0.26 0.00 0.00 0.00 0.00 60.65 58.51 2k9x s ILE 96 Cb -0.22 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.87 2k9x s ILE 96 CO 0.00 -0.68 0.96 -0.44 0.00 0.00 0.00 174.94 174.78 2k9x s SER 97 N 2.08 6.54 -0.16 3.58 0.01 -1.16 -1.49 113.70 123.10 2k9x s SER 97 Ca 0.07 0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 2k9x s SER 97 Cb -0.24 -2.47 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 2k9x s SER 97 CO -0.03 -1.06 -0.27 0.35 0.41 0.00 0.00 173.24 172.64 2k9x n THR 98 N 6.44 1.32 -2.65 1.44 -2.24 0.16 -3.02 114.28 115.73 2k9x n THR 98 Ca 0.07 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 2k9x n THR 98 Cb 0.49 -2.00 -0.05 0.00 -2.10 0.00 0.00 70.33 66.66 2k9x n THR 98 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2k9x s LEU 99 N -7.46 3.84 -0.38 3.22 2.96 -1.24 -5.05 118.68 114.57 2k9x s LEU 99 Ca -0.25 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.40 2k9x s LEU 99 Cb 0.07 -4.54 0.16 0.00 0.50 0.00 0.00 46.19 42.38 2k9x s LEU 99 CO 0.35 -0.52 0.35 -2.28 -1.32 0.00 0.00 176.35 172.93 2k9x s HIS 100 N -2.25 0.12 0.00 5.38 2.46 -1.26 -4.52 115.29 115.22 2k9x s HIS 100 Ca 0.62 -1.28 0.00 0.00 0.47 0.00 0.00 55.06 54.87 2k9x s HIS 100 Cb -0.11 -0.58 0.00 0.00 -0.13 0.00 0.00 32.58 31.77 2k9x s HIS 100 CO 0.19 -0.93 0.00 0.41 -2.47 0.00 0.00 174.74 171.94 2k9x n GLY 101 N 3.85 2.93 0.00 1.59 0.00 -1.26 -5.19 105.19 107.11 2k9x n GLY 101 Ca 0.15 -0.80 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