#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 -5.08 0.17 7.83 7.64 -1.26 -4.70 113.62 118.21 2k9x n SER 2 Ca 0.00 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.56 2k9x n SER 2 Cb 0.00 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 2k9x n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k9x n ASN 3 N -2.42 -1.83 -0.98 6.43 2.85 -1.26 -5.17 115.26 112.89 2k9x n ASN 3 Ca -0.07 0.62 0.07 0.00 -0.11 0.00 0.00 54.58 55.09 2k9x n ASN 3 Cb 0.59 1.84 -0.02 0.00 1.24 0.00 0.00 39.78 43.43 2k9x n ASN 3 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2k9x n HIS 4 N -3.38 -2.47 -1.52 1.20 8.25 -1.26 -4.84 115.22 111.20 2k9x n HIS 4 Ca 0.00 0.63 -0.32 0.00 -0.26 0.00 0.00 57.72 57.78 2k9x n HIS 4 Cb 0.00 -1.03 0.06 0.00 1.12 0.00 0.00 29.99 30.14 2k9x n HIS 4 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2k9x s ASN 5 N -4.96 4.97 -0.29 0.41 0.02 -1.26 -5.04 114.94 108.78 2k9x s ASN 5 Ca 0.00 1.81 -0.14 0.00 -1.02 0.00 0.00 52.86 53.51 2k9x s ASN 5 Cb 0.00 -2.52 0.13 0.00 0.02 0.00 0.00 41.25 38.88 2k9x s ASN 5 CO 0.00 -1.72 0.84 -1.38 0.02 0.00 0.00 177.10 174.85 2k9x s HIS 6 N -2.77 -0.91 -0.07 2.20 -3.43 -1.15 -4.95 115.29 104.21 2k9x s HIS 6 Ca 0.62 1.67 -0.12 0.00 -0.80 0.00 0.00 55.06 56.42 2k9x s HIS 6 Cb -0.17 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.48 2k9x s HIS 6 CO 0.51 -0.45 0.31 0.42 -2.00 0.00 0.00 174.74 173.53 2k9x s ILE 7 N 2.15 5.23 -0.61 -5.38 -1.09 -1.15 -4.02 121.20 116.32 2k9x s ILE 7 Ca -0.06 0.60 -0.18 0.00 -2.23 0.00 0.00 60.65 58.78 2k9x s ILE 7 Cb -0.07 -3.61 0.12 0.00 -1.58 0.00 0.00 42.46 37.32 2k9x s ILE 7 CO -0.18 0.55 0.67 -0.89 -1.23 0.00 0.00 174.94 173.87 2k9x s THR 8 N -0.73 4.97 -0.26 2.92 2.01 0.18 -3.81 115.64 120.93 2k9x s THR 8 Ca 0.20 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2k9x s THR 8 Cb -0.15 -4.46 0.07 0.00 0.01 0.00 0.00 72.50 67.97 2k9x s THR 8 CO 0.09 -1.07 -0.07 0.54 -0.69 0.00 0.00 174.62 173.42 2k9x s VAL 9 N 2.23 1.90 0.10 3.82 0.11 -1.01 -0.29 120.40 127.26 2k9x s VAL 9 Ca 0.11 -1.55 0.02 0.00 -2.93 0.00 0.00 61.98 57.63 2k9x s VAL 9 Cb -0.24 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 2k9x s VAL 9 CO 0.04 -0.13 -0.07 0.00 -3.33 0.00 0.00 175.10 171.60 2k9x s GLN 10 N 1.21 0.83 0.04 1.54 0.00 -1.14 0.41 119.66 122.56 2k9x s GLN 10 Ca -0.05 -1.29 0.06 0.00 -0.00 0.00 0.00 55.36 54.08 2k9x s GLN 10 Cb -0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 33.01 32.51 2k9x s GLN 10 CO -0.06 0.00 -0.18 -0.06 0.00 0.00 0.00 175.29 174.99 2k9x s PHE 11 N -3.34 1.58 0.75 9.60 0.08 -1.07 -3.25 117.98 122.32 2k9x s PHE 11 Ca 0.10 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2k9x s PHE 11 Cb 0.03 -0.94 0.15 0.00 -0.57 0.00 0.00 43.02 41.69 2k9x s PHE 11 CO -0.03 0.08 1.02 0.00 -0.10 0.00 0.00 175.22 176.18 2k9x s ALA 12 N -0.84 3.80 -0.57 5.36 0.00 -0.95 -4.60 121.76 123.96 2k9x s ALA 12 Ca 0.05 -1.91 -0.26 0.00 0.00 0.00 0.00 51.96 49.85 2k9x s ALA 12 Cb -0.08 -1.90 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 2k9x s ALA 12 CO 0.02 -1.57 2.39 0.20 0.00 0.00 0.00 175.76 176.80 2k9x s GLY 13 N -4.81 -0.51 0.00 0.00 0.00 -1.26 -2.00 107.32 98.74 2k9x s GLY 13 Ca 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.18 2k9x s GLY 13 CO 0.45 4.14 0.00 0.61 0.00 0.00 0.00 173.10 178.30 2k9x n GLY 14 N 6.21 4.33 0.08 0.20 0.00 -1.26 -4.68 105.19 110.07 2k9x n GLY 14 Ca 0.39 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.00 0.00 4.11 -1.69 -0.45 114.58 116.55 2k9x h GLU 16 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2k9x h GLU 16 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2k9x h GLU 16 CO 0.03 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.39 2k9x n LEU 17 N -4.04 0.00 -0.40 3.06 4.32 -1.26 -0.27 117.00 118.41 2k9x n LEU 17 Ca -0.00 0.42 0.02 0.00 -0.02 0.00 0.00 56.01 56.43 2k9x n LEU 17 Cb 0.21 -0.42 0.06 0.00 -1.62 0.00 0.00 43.42 41.65 2k9x n LEU 17 CO 0.30 -0.24 0.48 0.18 -1.22 0.00 0.00 177.39 176.89 2k9x n LEU 18 N -1.42 1.04 0.18 2.23 4.77 -0.18 -4.40 117.00 119.21 2k9x n LEU 18 Ca 0.04 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2k9x n LEU 18 Cb 0.13 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2k9x n LEU 18 CO 0.11 0.21 0.00 0.33 -1.33 0.00 0.00 177.39 176.71 2k9x n PHE 19 N -0.06 -3.37 -2.17 -1.77 -0.00 -1.10 -4.04 117.46 104.95 2k9x n PHE 19 Ca 0.04 0.91 -0.00 0.00 -0.00 0.00 0.00 57.45 58.40 2k9x n PHE 19 Cb 0.21 2.00 0.00 0.00 -0.00 0.00 0.00 39.48 41.69 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 -3.41 -1.49 -3.17 3.13 0.00 -1.12 -4.73 120.51 109.71 2k9x n ALA 20 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 2k9x n ALA 20 Cb 0.00 -0.43 -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 -0.07 -3.33 -1.82 0.00 4.01 0.63 -4.94 118.16 112.64 2k9x n LYS 21 Ca -0.01 0.52 -0.29 0.00 -0.51 0.00 0.00 58.31 58.01 2k9x n LYS 21 Cb 0.44 -5.22 0.14 0.00 -0.51 0.00 0.00 35.03 29.87 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 -5.81 1.22 -0.16 1.97 -1.52 -1.24 -4.92 119.66 109.20 2k9x s GLN 22 Ca 0.32 -0.06 -0.04 0.00 -1.95 0.00 0.00 55.36 53.63 2k9x s GLN 22 Cb -0.17 -1.88 -0.09 0.00 -0.22 0.00 0.00 33.01 30.66 2k9x s GLN 22 CO 0.40 -2.07 -0.18 0.25 -0.25 0.00 0.00 175.29 173.43 2k9x n THR 23 N -3.61 0.91 -3.44 -0.19 -2.24 -1.26 -4.54 114.28 99.91 2k9x n THR 23 Ca 0.11 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2k9x n THR 23 Cb 0.60 -1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 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 -6.03 -0.56 0.14 3.42 1.04 -1.26 -2.61 113.70 107.83 2k9x s SER 24 Ca -0.22 0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.19 2k9x s SER 24 Cb 0.07 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2k9x s SER 24 CO 0.33 -0.92 0.24 -0.76 0.98 0.00 0.00 173.24 173.10 2k9x s LEU 25 N -2.58 1.15 -0.30 2.42 1.43 0.17 -4.95 118.68 116.01 2k9x s LEU 25 Ca -0.00 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2k9x s LEU 25 Cb -0.01 1.09 0.10 0.00 0.03 0.00 0.00 46.19 47.40 2k9x s LEU 25 CO -0.10 -0.83 0.09 -1.10 0.23 0.00 0.00 176.35 174.63 2k9x s GLN 26 N -3.94 0.78 0.04 1.70 1.11 -1.26 -2.41 119.66 115.68 2k9x s GLN 26 Ca 0.14 -1.08 -0.13 0.00 0.01 0.00 0.00 55.36 54.29 2k9x s GLN 26 Cb 0.04 -2.08 -0.06 0.00 -1.01 0.00 0.00 33.01 29.90 2k9x s GLN 26 CO -0.03 -0.96 0.42 -0.51 0.01 0.00 0.00 175.29 174.22 2k9x s LEU 27 N 1.58 4.42 -0.19 2.90 1.43 -1.25 -4.81 118.68 122.77 2k9x s LEU 27 Ca 0.09 0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 53.86 2k9x s LEU 27 Cb -0.17 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2k9x s LEU 27 CO -0.23 0.25 0.76 -1.81 0.23 0.00 0.00 176.35 175.56 2k9x s ASP 28 N -1.37 6.85 -0.02 2.29 1.01 -1.26 -2.96 116.67 121.21 2k9x s ASP 28 Ca 0.28 1.04 -0.25 0.00 0.71 0.00 0.00 52.55 54.33 2k9x s ASP 28 Cb -0.16 -2.42 -0.19 0.00 1.01 0.00 0.00 42.92 41.17 2k9x s ASP 28 CO 0.15 -0.37 1.21 1.23 0.21 0.00 0.00 175.17 177.61 2k9x h GLY 29 N 8.35 -0.09 0.00 0.21 0.00 -1.92 -3.46 103.07 106.16 2k9x h GLY 29 Ca -0.29 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2k9x h GLY 29 CO 0.82 -0.03 0.00 -0.62 0.00 0.00 0.00 176.54 176.71 2k9x n VAL 30 N -4.90 0.00 -2.87 4.60 0.31 -1.26 -3.53 118.33 110.68 2k9x n VAL 30 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 2k9x n VAL 30 Cb 0.25 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.22 2k9x n VAL 30 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2k9x n VAL 31 N 0.00 -0.11 0.25 2.52 3.14 -1.26 -4.99 118.33 117.88 2k9x n VAL 31 Ca 0.00 -2.36 -0.04 0.00 -2.96 0.00 0.00 64.34 58.98 2k9x n VAL 31 Cb 0.00 0.78 0.10 0.00 -1.06 0.00 0.00 33.84 33.66 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2k9x n PRO 32 N 0.81 1.82 -0.34 1.45 -0.04 -1.23 -4.43 135.00 133.03 2k9x n PRO 32 Ca 0.12 -1.09 0.10 0.00 -0.04 0.00 0.00 63.50 62.59 2k9x n PRO 32 Cb 0.65 -1.56 0.29 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.77 0.85 -0.84 0.52 2.02 -1.88 -0.70 112.91 113.66 2k9x h THR 33 Ca 0.14 -0.30 -0.48 0.00 0.77 0.00 0.00 66.41 66.55 2k9x h THR 33 Cb 1.42 -0.10 -0.27 0.00 -1.74 0.00 0.00 68.15 67.47 2k9x h THR 33 CO 0.31 0.16 0.46 0.61 0.37 0.00 0.00 175.52 177.43 2k9x n GLY 34 N -1.37 4.96 3.36 2.16 0.00 -1.26 -4.83 105.19 108.21 2k9x n GLY 34 Ca 0.20 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.66 2.17 0.15 2.61 2.01 -0.27 -5.09 115.64 113.57 2k9x s THR 35 Ca 0.55 -1.53 0.03 0.00 0.31 0.00 0.00 61.69 61.05 2k9x s THR 35 Cb 0.47 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2k9x s THR 35 CO 0.06 0.25 0.09 -0.46 -0.69 0.00 0.00 174.62 173.88 2k9x n ASN 36 N 1.44 0.28 -0.18 3.53 0.23 -1.26 -2.27 115.26 117.03 2k9x n ASN 36 Ca -0.17 -1.92 -0.03 0.00 -0.53 0.00 0.00 54.58 51.92 2k9x n ASN 36 Cb 0.52 0.59 0.06 0.00 -2.08 0.00 0.00 39.78 38.88 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 0.38 -1.14 -4.53 6.46 -1.40 0.59 115.31 115.66 2k9x h LEU 37 Ca -0.11 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.80 2k9x h LEU 37 Cb 0.51 -0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 40.33 2k9x h LEU 37 CO 0.17 0.26 0.60 -1.13 -0.62 0.00 0.00 178.44 177.72 2k9x h ASN 38 N 0.52 0.81 0.46 1.25 -1.24 -1.87 0.71 115.58 116.21 2k9x h ASN 38 Ca 0.24 0.04 -0.17 0.00 0.71 0.00 0.00 56.30 57.12 2k9x h ASN 38 Cb 0.16 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2k9x h ASN 38 CO -0.18 0.43 -0.74 1.23 -1.29 0.00 0.00 177.43 176.88 2k9x h GLY 39 N 0.87 0.26 0.73 1.57 0.00 -1.64 -2.66 103.07 102.19 2k9x h GLY 39 Ca 0.46 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2k9x h GLY 39 CO -0.23 0.34 -0.25 1.41 0.00 0.00 0.00 176.54 177.81 2k9x h LEU 40 N 0.15 -0.59 0.30 3.11 3.38 0.12 -2.21 115.31 119.58 2k9x h LEU 40 Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k9x h LEU 40 Cb 1.31 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 2k9x h LEU 40 CO 0.12 -0.24 -0.37 -0.37 0.09 0.00 0.00 178.44 177.66 2k9x h VAL 41 N -0.97 0.24 -0.89 1.22 -1.51 -1.15 -1.32 116.25 111.87 2k9x h VAL 41 Ca -0.07 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.66 2k9x h VAL 41 Cb 0.61 0.24 -0.04 0.00 -2.13 0.00 0.00 31.29 29.98 2k9x h VAL 41 CO 0.12 0.00 0.64 -0.61 -1.23 0.00 0.00 177.57 176.49 2k9x h GLN 42 N -0.72 0.00 0.00 5.19 4.15 -1.55 0.38 115.11 122.56 2k9x h GLN 42 Ca -0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 2k9x h GLN 42 Cb 0.67 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 2k9x h GLN 42 CO -0.11 0.00 -0.69 1.25 -1.93 0.00 0.00 178.83 177.35 2k9x h LEU 43 N 0.00 0.00 0.02 -2.39 5.85 -0.60 -1.91 115.31 116.28 2k9x h LEU 43 Ca 0.42 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.80 2k9x h LEU 43 Cb 1.71 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.68 2k9x h LEU 43 CO -0.00 0.69 -2.09 0.00 -0.34 0.00 0.00 178.44 176.69 2k9x n LEU 44 N -3.50 1.17 -0.07 2.25 -0.00 0.88 -3.90 117.00 113.83 2k9x n LEU 44 Ca -0.00 0.16 -0.05 0.00 -0.00 0.00 0.00 56.01 56.12 2k9x n LEU 44 Cb 0.73 -0.08 -0.02 0.00 -0.00 0.00 0.00 43.42 44.05 2k9x n LEU 44 CO 0.43 0.58 -0.38 2.29 -0.00 0.00 0.00 177.39 180.30 2k9x n LYS 45 N -3.05 0.42 0.34 1.47 2.85 0.98 -1.35 118.16 119.82 2k9x n LYS 45 Ca -0.29 0.43 0.21 0.00 -1.05 0.00 0.00 58.31 57.61 2k9x n LYS 45 Cb 1.08 -1.53 1.11 0.00 -0.65 0.00 0.00 35.03 35.04 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 -0.90 0.02 0.00 0.58 2.02 -1.51 0.70 112.91 113.83 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 0.56 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 2k9x h THR 46 CO 0.00 0.00 -2.00 -3.20 0.37 0.00 0.00 175.52 170.69 2k9x n ASN 47 N -3.06 1.44 -2.69 4.18 2.85 -1.14 -4.80 115.26 112.03 2k9x n ASN 47 Ca -0.03 -0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.37 2k9x n ASN 47 Cb 0.15 0.84 0.06 0.00 1.24 0.00 0.00 39.78 42.08 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2k9x n TYR 48 N -2.54 -0.02 0.08 1.20 4.01 -0.46 -4.93 117.16 114.50 2k9x n TYR 48 Ca -0.24 -2.42 -0.12 0.00 -0.16 0.00 0.00 57.90 54.96 2k9x n TYR 48 Cb 0.97 0.29 -0.13 0.00 -0.31 0.00 0.00 39.34 40.16 2k9x n TYR 48 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2k9x h VAL 49 N 3.04 1.53 -1.70 -0.72 3.04 0.54 -3.37 116.25 118.60 2k9x h VAL 49 Ca -0.17 -3.18 -0.22 0.00 -1.01 0.00 0.00 66.70 62.13 2k9x h VAL 49 Cb 1.23 2.87 -0.08 0.00 -2.01 0.00 0.00 31.29 33.30 2k9x h VAL 49 CO 0.27 0.91 -0.20 2.29 -1.01 0.00 0.00 177.57 179.82 2k9x n LYS 50 N -3.43 -1.32 -0.68 4.17 2.85 -1.26 -3.76 118.16 114.73 2k9x n LYS 50 Ca -0.06 0.62 0.00 0.00 -1.05 0.00 0.00 58.31 57.81 2k9x n LYS 50 Cb 0.99 -4.84 0.00 0.00 -0.65 0.00 0.00 35.03 30.53 2k9x n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k9x n GLU 51 N -1.79 0.00 -2.14 -1.58 4.07 -1.26 -4.97 120.64 112.97 2k9x n GLU 51 Ca -0.11 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.56 2k9x n GLU 51 Cb 0.37 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.72 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 -0.92 3.51 0.63 5.31 3.52 -1.26 -4.87 118.95 124.87 2k9x s ARG 52 Ca 0.00 1.31 0.38 0.00 -0.13 0.00 0.00 55.73 57.29 2k9x s ARG 52 Cb 0.00 -4.11 2.16 0.00 -1.56 0.00 0.00 34.95 31.44 2k9x s ARG 52 CO 0.00 -1.65 2.32 -1.00 -0.81 0.00 0.00 175.30 174.16 2k9x h PRO 53 N 11.73 0.00 -0.41 5.12 0.13 -1.95 -0.71 132.00 145.91 2k9x h PRO 53 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k9x h PRO 53 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2k9x h PRO 53 CO 1.04 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.57 2k9x n ASP 54 N -3.40 2.52 -0.10 1.44 8.00 -1.26 -3.94 116.55 119.82 2k9x n ASP 54 Ca -0.03 -1.94 0.13 0.00 0.71 0.00 0.00 54.79 53.66 2k9x n ASP 54 Cb 0.08 -0.27 0.36 0.00 -0.02 0.00 0.00 41.12 41.27 2k9x n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9x n LEU 55 N 0.87 0.64 -0.01 0.64 -0.00 -0.27 -4.42 117.00 114.45 2k9x n LEU 55 Ca 0.17 -0.05 -0.03 0.00 -0.00 0.00 0.00 56.01 56.09 2k9x n LEU 55 Cb 0.42 -0.22 -0.01 0.00 -0.00 0.00 0.00 43.42 43.61 2k9x n LEU 55 CO 0.12 0.14 -0.60 0.00 -0.00 0.00 0.00 177.39 177.05 2k9x n LEU 56 N -1.15 0.85 -4.57 1.47 -0.00 -1.26 -4.96 117.00 107.38 2k9x n LEU 56 Ca 0.09 0.02 -0.37 0.00 -0.00 0.00 0.00 56.01 55.75 2k9x n LEU 56 Cb 0.33 -0.09 0.05 0.00 -0.00 0.00 0.00 43.42 43.72 2k9x n LEU 56 CO 0.30 0.17 0.40 1.33 -0.00 0.00 0.00 177.39 179.59 2k9x n VAL 57 N -3.00 3.28 0.34 1.47 0.24 -1.25 0.89 118.33 120.29 2k9x n VAL 57 Ca -0.05 -0.49 -0.16 0.00 -2.04 0.00 0.00 64.34 61.59 2k9x n VAL 57 Cb 0.54 -1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 31.82 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 0.29 -0.72 0.00 -1.34 3.58 -1.26 -3.29 116.42 113.68 2k9x h ASP 58 Ca -0.48 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k9x h ASP 58 Cb 1.37 0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.61 2k9x h ASP 58 CO 0.49 -0.43 0.00 1.67 -2.88 0.00 0.00 179.24 178.09 2k9x n GLN 59 N -5.41 0.00 -0.12 0.28 7.27 -1.26 -4.71 117.38 113.42 2k9x n GLN 59 Ca -0.13 0.00 0.04 0.00 0.07 0.00 0.00 57.00 56.98 2k9x n GLN 59 Cb 0.36 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.12 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k9x n THR 60 N -1.18 0.33 -1.74 1.69 -2.24 -1.26 -4.88 114.28 105.00 2k9x n THR 60 Ca 0.00 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 2k9x n THR 60 Cb 0.00 0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.88 1.42 0.16 3.38 0.00 -1.26 -4.80 105.19 104.97 2k9x n GLY 61 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.39 -1.51 1.61 7.27 -1.26 -5.03 117.38 116.41 2k9x n GLN 62 Ca -0.21 0.11 0.00 0.00 0.07 0.00 0.00 57.00 56.97 2k9x n GLN 62 Cb 0.66 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 32.03 2k9x n GLN 62 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2k9x n THR 63 N -3.13 0.00 -4.25 1.69 5.66 -1.26 -4.79 114.28 108.20 2k9x n THR 63 Ca -0.29 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.46 2k9x n THR 63 Cb 0.79 -0.06 -0.07 0.00 -1.55 0.00 0.00 70.33 69.43 2k9x n THR 63 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2k9x s LEU 64 N 0.00 3.27 0.59 1.09 1.43 -1.26 -1.21 118.68 122.58 2k9x s LEU 64 Ca 0.00 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2k9x s LEU 64 Cb 0.00 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2k9x s LEU 64 CO 0.00 0.04 1.02 0.00 0.23 0.00 0.00 176.35 177.64 2k9x s ARG 65 N -3.35 3.58 0.24 1.70 1.70 0.26 -3.83 118.95 119.25 2k9x s ARG 65 Ca 0.29 0.94 -0.31 0.00 -0.47 0.00 0.00 55.73 56.18 2k9x s ARG 65 Cb -0.08 -2.08 -0.13 0.00 -0.57 0.00 0.00 34.95 32.09 2k9x s ARG 65 CO 0.19 -0.58 1.44 -0.35 -1.08 0.00 0.00 175.30 174.92 2k9x n PRO 66 N -2.23 2.10 0.00 3.89 -0.04 -1.26 -3.69 135.00 133.76 2k9x n PRO 66 Ca 0.07 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2k9x n PRO 66 Cb 0.54 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2k9x n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k9x n GLY 67 N 2.27 3.88 3.77 0.55 0.00 -1.26 -4.85 105.19 109.55 2k9x n GLY 67 Ca 0.12 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 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 4.66 -0.39 -0.61 1.01 -1.24 -0.49 121.20 124.14 2k9x s ILE 68 Ca 0.00 1.52 -0.08 0.00 0.00 0.00 0.00 60.65 62.09 2k9x s ILE 68 Cb 0.00 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.48 2k9x s ILE 68 CO 0.00 0.45 0.20 -0.22 0.00 0.00 0.00 174.94 175.37 2k9x s LEU 69 N -0.56 4.86 -0.06 2.97 2.96 0.28 -4.86 118.68 124.27 2k9x s LEU 69 Ca 0.35 -1.37 -0.27 0.00 -0.22 0.00 0.00 54.13 52.62 2k9x s LEU 69 Cb -0.21 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2k9x s LEU 69 CO 0.22 -0.46 0.86 0.68 -1.32 0.00 0.00 176.35 176.33 2k9x s VAL 70 N 1.41 4.93 -0.02 1.68 -7.23 -1.26 -3.42 120.40 116.50 2k9x s VAL 70 Ca 0.02 1.76 0.02 0.00 -1.81 0.00 0.00 61.98 61.98 2k9x s VAL 70 Cb -0.22 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.54 2k9x s VAL 70 CO 0.02 0.15 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.12 2k9x s LEU 71 N 1.24 1.84 -0.42 1.32 1.43 -1.19 -1.90 118.68 120.99 2k9x s LEU 71 Ca 0.44 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 2k9x s LEU 71 Cb -0.19 -0.51 0.09 0.00 0.03 0.00 0.00 46.19 45.61 2k9x s LEU 71 CO 0.21 0.07 0.25 -0.69 0.23 0.00 0.00 176.35 176.42 2k9x s VAL 72 N 0.10 3.89 -1.07 -1.59 1.01 0.27 -2.85 120.40 120.17 2k9x s VAL 72 Ca -0.02 -1.66 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 2k9x s VAL 72 Cb -0.07 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2k9x s VAL 72 CO 0.00 -0.59 0.92 0.59 0.00 0.00 0.00 175.10 176.03 2k9x n ASN 73 N 4.81 -5.40 -3.54 3.32 3.02 -1.20 -3.28 115.26 112.98 2k9x n ASN 73 Ca -0.08 -0.67 -0.19 0.00 -0.03 0.00 0.00 54.58 53.61 2k9x n ASN 73 Cb 0.42 -5.11 0.07 0.00 -0.61 0.00 0.00 39.78 34.54 2k9x n ASN 73 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2k9x n SER 74 N -3.17 -1.97 -3.64 6.41 7.64 -1.26 -5.01 113.62 112.62 2k9x n SER 74 Ca -0.12 -0.69 -0.10 0.00 1.01 0.00 0.00 58.87 58.96 2k9x n SER 74 Cb 0.63 -4.72 -0.07 0.00 -1.01 0.00 0.00 64.21 59.05 2k9x n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9x n ASP 76 N 2.90 3.06 0.14 0.00 8.00 -1.26 0.95 116.55 130.34 2k9x n ASP 76 Ca -0.15 1.04 0.05 0.00 0.71 0.00 0.00 54.79 56.44 2k9x n ASP 76 Cb 0.56 -1.36 0.05 0.00 -0.02 0.00 0.00 41.12 40.35 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 7.31 0.74 0.00 2.24 0.00 -1.71 -3.26 119.26 124.58 2k9x h ALA 77 Ca -0.47 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2k9x h ALA 77 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k9x h ALA 77 CO 0.91 0.45 0.00 0.39 0.00 0.00 0.00 179.25 181.00 2k9x n GLU 78 N -3.10 0.18 0.12 0.00 -0.58 -1.26 0.15 120.64 116.13 2k9x n GLU 78 Ca 0.01 0.40 -0.03 0.00 -0.42 0.00 0.00 57.16 57.12 2k9x n GLU 78 Cb 0.68 -1.83 0.10 0.00 -0.57 0.00 0.00 31.44 29.82 2k9x n GLU 78 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k9x h VAL 79 N 0.00 1.50 0.00 2.62 2.07 -1.95 -3.40 116.25 117.09 2k9x h VAL 79 Ca 0.00 -2.40 -0.09 0.00 0.82 0.00 0.00 66.70 65.03 2k9x h VAL 79 Cb 0.36 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2k9x h VAL 79 CO 0.00 0.69 -1.32 1.33 0.02 0.00 0.00 177.57 178.29 2k9x n VAL 80 N -3.71 0.32 -2.67 2.57 0.24 -1.07 -5.01 118.33 109.00 2k9x n VAL 80 Ca -0.01 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.34 62.14 2k9x n VAL 80 Cb 0.69 -1.02 0.06 0.00 -1.47 0.00 0.00 33.84 32.10 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 3.01 -1.67 0.47 7.63 0.00 0.66 -4.96 105.19 110.32 2k9x n GLY 81 Ca -0.11 1.05 0.28 0.00 0.00 0.00 0.00 46.02 47.24 2k9x n GLY 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k9x h GLY 82 N 3.46 0.00 -2.07 -0.02 0.00 -0.51 -0.87 103.07 103.06 2k9x h GLY 82 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2k9x h GLY 82 CO -0.15 0.00 -0.78 1.15 0.00 0.00 0.00 176.54 176.76 2k9x n MET 83 N -4.00 0.61 -1.34 4.80 0.00 -1.26 -4.78 117.12 111.15 2k9x n MET 83 Ca 0.17 -2.43 -0.01 0.00 0.00 0.00 0.00 57.70 55.43 2k9x n MET 83 Cb 0.99 -0.66 -0.02 0.00 0.00 0.00 0.00 33.22 33.53 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 -0.18 0.05 -4.60 3.17 2.03 -0.36 -4.35 116.55 112.31 2k9x n ASP 84 Ca 0.11 -2.01 -0.42 0.00 0.52 0.00 0.00 54.79 52.99 2k9x n ASP 84 Cb 0.94 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.10 3.16 1.05 -0.67 6.14 -1.01 -4.83 117.35 121.09 2k9x s TYR 85 Ca 0.18 0.71 -0.12 0.00 0.64 0.00 0.00 57.07 58.48 2k9x s TYR 85 Cb 0.21 -3.31 0.22 0.00 0.42 0.00 0.00 41.96 39.50 2k9x s TYR 85 CO -0.09 -0.64 1.07 0.14 0.64 0.00 0.00 175.55 176.67 2k9x s VAL 86 N 3.03 2.12 0.52 3.14 -7.23 -1.26 -1.11 120.40 119.61 2k9x s VAL 86 Ca 0.32 0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.55 2k9x s VAL 86 Cb -0.14 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2k9x s VAL 86 CO 0.14 -0.05 0.13 -0.76 -0.31 0.00 0.00 175.10 174.25 2k9x s LEU 87 N -6.73 2.40 0.00 1.32 1.43 -0.96 -4.84 118.68 111.29 2k9x s LEU 87 Ca 0.66 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2k9x s LEU 87 Cb -0.21 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.14 2k9x s LEU 87 CO 0.60 -0.95 0.00 0.59 0.23 0.00 0.00 176.35 176.83 2k9x n ASN 88 N -1.43 0.00 -1.08 2.29 3.02 -1.26 -4.72 115.26 112.08 2k9x n ASN 88 Ca -0.14 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.39 2k9x n ASN 88 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2k9x n ASN 88 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k9x n ASP 89 N -0.71 -0.36 0.00 6.41 8.00 -1.26 -4.50 116.55 124.14 2k9x n ASP 89 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2k9x n ASP 89 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k9x n GLY 90 N -0.17 0.00 3.83 0.44 0.00 -1.26 -2.94 105.19 105.09 2k9x n GLY 90 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 6.91 -0.08 1.61 -1.08 -1.26 -4.81 116.67 117.96 2k9x s ASP 91 Ca 0.00 1.53 0.05 0.00 -0.52 0.00 0.00 52.55 53.61 2k9x s ASP 91 Cb 0.00 -2.47 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 2k9x s ASP 91 CO 0.00 -0.26 -0.24 -0.89 0.52 0.00 0.00 175.17 174.30 2k9x s THR 92 N -2.04 2.15 -0.05 1.71 2.01 -1.26 -0.64 115.64 117.52 2k9x s THR 92 Ca 0.57 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 2k9x s THR 92 Cb -0.10 -1.80 0.04 0.00 0.01 0.00 0.00 72.50 70.64 2k9x s THR 92 CO 0.16 0.56 0.10 0.54 -0.69 0.00 0.00 174.62 175.29 2k9x s VAL 93 N 0.03 -0.09 0.04 3.82 0.11 0.60 -3.28 120.40 121.63 2k9x s VAL 93 Ca -0.09 0.25 0.05 0.00 -2.93 0.00 0.00 61.98 59.26 2k9x s VAL 93 Cb -0.15 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2k9x s VAL 93 CO 0.06 0.10 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.16 2k9x s GLU 94 N 1.42 1.06 -0.29 1.54 2.02 -1.13 -2.88 118.70 120.43 2k9x s GLU 94 Ca -0.06 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.17 2k9x s GLU 94 Cb -0.12 -1.09 0.08 0.00 0.10 0.00 0.00 34.13 33.10 2k9x s GLU 94 CO -0.05 0.27 -0.00 -0.06 0.02 0.00 0.00 175.26 175.45 2k9x s PHE 95 N -0.80 3.00 -0.29 1.61 0.08 -1.20 -3.19 117.98 117.19 2k9x s PHE 95 Ca 0.03 -2.36 0.00 0.00 0.12 0.00 0.00 56.93 54.73 2k9x s PHE 95 Cb -0.08 -2.20 0.06 0.00 -0.57 0.00 0.00 43.02 40.23 2k9x s PHE 95 CO 0.01 -0.88 -0.03 0.42 -0.10 0.00 0.00 175.22 174.64 2k9x s ILE 96 N 1.18 2.69 0.42 0.64 1.01 -1.22 -2.23 121.20 123.68 2k9x s ILE 96 Ca 0.02 -1.54 -0.21 0.00 0.00 0.00 0.00 60.65 58.93 2k9x s ILE 96 Cb -0.19 -2.59 -0.11 0.00 0.01 0.00 0.00 42.46 39.59 2k9x s ILE 96 CO -0.10 -0.12 0.94 -0.44 0.00 0.00 0.00 174.94 175.22 2k9x s SER 97 N 1.21 6.95 0.13 3.58 0.01 -1.26 -0.55 113.70 123.77 2k9x s SER 97 Ca -0.05 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.89 2k9x s SER 97 Cb -0.20 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2k9x s SER 97 CO -0.03 -0.34 0.00 0.35 0.41 0.00 0.00 173.24 173.63 2k9x n THR 98 N -0.59 0.70 -2.10 1.44 -2.24 0.35 -4.91 114.28 106.94 2k9x n THR 98 Ca 0.07 0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.79 2k9x n THR 98 Cb 0.54 -1.15 0.04 0.00 -2.10 0.00 0.00 70.33 67.66 2k9x n THR 98 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2k9x s LEU 99 N -6.63 3.03 -0.47 3.22 0.05 -1.26 -5.06 118.68 111.55 2k9x s LEU 99 Ca 0.00 0.95 0.06 0.00 0.05 0.00 0.00 54.13 55.20 2k9x s LEU 99 Cb 0.00 -3.76 0.23 0.00 -2.05 0.00 0.00 46.19 40.61 2k9x s LEU 99 CO 0.00 -1.24 0.76 1.57 -0.55 0.00 0.00 176.35 176.90 2k9x n HIS 100 N -2.84 -2.75 0.00 3.48 -0.00 -1.26 -4.86 115.22 106.99 2k9x n HIS 100 Ca 0.06 -2.11 0.00 0.00 0.46 0.00 0.00 57.72 56.13 2k9x n HIS 100 Cb 0.57 1.12 0.00 0.00 -0.12 0.00 0.00 29.99 31.57 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 1.89 1.29 0.73 1.57 0.00 -1.26 -5.27 105.19 104.14 2k9x n GLY 101 Ca 0.14 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.50 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93