#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 6.38 -1.41 7.83 0.15 -1.26 -4.27 113.70 121.12 2k9x s SER 2 Ca 0.00 0.67 -0.08 0.00 0.70 0.00 0.00 55.95 57.24 2k9x s SER 2 Cb 0.00 -2.13 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 2k9x s SER 2 CO 0.00 -0.27 1.00 -3.20 1.20 0.00 0.00 173.24 171.97 2k9x n ASN 3 N -1.35 -6.30 -4.60 5.45 2.85 -1.26 -5.00 115.26 105.05 2k9x n ASN 3 Ca -0.02 -0.46 -0.24 0.00 -0.11 0.00 0.00 54.58 53.75 2k9x n ASN 3 Cb 0.55 -4.98 -0.08 0.00 1.24 0.00 0.00 39.78 36.51 2k9x n ASN 3 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2k9x s HIS 4 N -3.28 2.63 0.33 1.20 2.46 -1.26 -5.05 115.29 112.32 2k9x s HIS 4 Ca 0.50 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.79 2k9x s HIS 4 Cb -0.22 -1.19 0.00 0.00 -0.13 0.00 0.00 32.58 31.04 2k9x s HIS 4 CO 0.62 0.61 0.00 0.09 -2.47 0.00 0.00 174.74 173.59 2k9x n ASN 5 N -0.64 -4.48 -1.02 9.88 4.13 -1.26 -4.99 115.26 116.88 2k9x n ASN 5 Ca -0.07 0.75 0.09 0.00 1.68 0.00 0.00 54.58 57.03 2k9x n ASN 5 Cb 0.58 -2.72 -0.02 0.00 -1.54 0.00 0.00 39.78 36.08 2k9x n ASN 5 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2k9x n HIS 6 N -3.36 -2.67 -4.36 3.10 8.25 -1.26 -4.45 115.22 110.47 2k9x n HIS 6 Ca -0.05 0.82 -0.20 0.00 -0.26 0.00 0.00 57.72 58.04 2k9x n HIS 6 Cb 0.38 -1.42 -0.13 0.00 1.12 0.00 0.00 29.99 29.94 2k9x n HIS 6 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2k9x s ILE 7 N -1.12 1.13 -0.69 1.59 1.09 -1.03 -1.18 121.20 121.00 2k9x s ILE 7 Ca 0.00 -1.02 -0.17 0.00 -1.10 0.00 0.00 60.65 58.36 2k9x s ILE 7 Cb 0.00 -1.03 0.15 0.00 -1.06 0.00 0.00 42.46 40.52 2k9x s ILE 7 CO 0.00 0.00 0.72 -0.89 -0.10 0.00 0.00 174.94 174.68 2k9x s THR 8 N -0.86 5.13 -0.38 2.92 2.01 -0.73 -3.12 115.64 120.61 2k9x s THR 8 Ca 0.02 -1.62 -0.05 0.00 0.31 0.00 0.00 61.69 60.35 2k9x s THR 8 Cb -0.08 -4.48 0.08 0.00 0.01 0.00 0.00 72.50 68.02 2k9x s THR 8 CO 0.01 -1.08 0.16 0.54 -0.69 0.00 0.00 174.62 173.56 2k9x s VAL 9 N 1.69 3.59 0.37 3.82 0.11 -0.05 -1.18 120.40 128.75 2k9x s VAL 9 Ca 0.14 -1.57 0.04 0.00 -2.93 0.00 0.00 61.98 57.66 2k9x s VAL 9 Cb -0.19 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 2k9x s VAL 9 CO -0.01 -0.43 0.12 0.00 -3.33 0.00 0.00 175.10 171.45 2k9x s GLN 10 N 1.29 1.80 0.30 1.54 0.00 -1.20 0.91 119.66 124.30 2k9x s GLN 10 Ca 0.02 -2.06 0.11 0.00 -0.00 0.00 0.00 55.36 53.43 2k9x s GLN 10 Cb -0.22 -0.59 -0.05 0.00 0.00 0.00 0.00 33.01 32.15 2k9x s GLN 10 CO -0.01 -0.40 -0.13 -0.06 0.00 0.00 0.00 175.29 174.70 2k9x s PHE 11 N -3.31 2.40 -0.15 9.60 0.08 -1.23 -3.07 117.98 122.30 2k9x s PHE 11 Ca 0.29 -0.36 -0.33 0.00 0.12 0.00 0.00 56.93 56.65 2k9x s PHE 11 Cb 0.05 -1.16 0.13 0.00 -0.57 0.00 0.00 43.02 41.47 2k9x s PHE 11 CO 0.15 0.65 1.12 0.00 -0.10 0.00 0.00 175.22 177.04 2k9x s ALA 12 N -2.51 -2.00 -0.89 5.36 0.00 -1.17 -4.78 121.76 115.78 2k9x s ALA 12 Ca 0.31 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.73 2k9x s ALA 12 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2k9x s ALA 12 CO 0.16 -0.55 0.76 0.41 0.00 0.00 0.00 175.76 176.54 2k9x n GLY 13 N 0.03 -0.10 2.45 0.00 0.00 -1.26 -3.06 105.19 103.25 2k9x n GLY 13 Ca -0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.32 -0.13 0.00 -0.02 0.00 -1.26 -3.68 105.19 98.78 2k9x n GLY 14 Ca -0.10 -0.24 0.06 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 0.00 0.00 0.00 0.00 9.09 -1.86 -1.10 114.58 120.71 2k9x h GLU 16 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2k9x h GLU 16 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 2k9x h GLU 16 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 2k9x n LEU 17 N -3.78 0.00 0.00 3.06 4.32 -1.26 -0.31 117.00 119.02 2k9x n LEU 17 Ca -0.02 0.39 0.09 0.00 -0.02 0.00 0.00 56.01 56.44 2k9x n LEU 17 Cb 0.13 -0.39 0.53 0.00 -1.62 0.00 0.00 43.42 42.07 2k9x n LEU 17 CO 0.27 -0.27 0.74 0.18 -1.22 0.00 0.00 177.39 177.08 2k9x n LEU 18 N -1.39 0.00 0.07 2.23 4.77 -0.42 -4.37 117.00 117.90 2k9x n LEU 18 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2k9x n LEU 18 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2k9x n LEU 18 CO 0.07 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.46 2k9x n PHE 19 N -0.94 -1.58 -2.57 -1.77 -0.00 -1.08 -4.23 117.46 105.30 2k9x n PHE 19 Ca 0.13 0.30 -0.01 0.00 -0.00 0.00 0.00 57.45 57.87 2k9x n PHE 19 Cb 0.06 0.85 0.05 0.00 -0.00 0.00 0.00 39.48 40.44 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 -2.90 -0.08 -3.82 3.13 0.00 -1.17 -4.78 120.51 110.88 2k9x n ALA 20 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 2k9x n ALA 20 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.61 -4.77 -1.46 0.00 4.01 0.57 -4.96 118.16 110.95 2k9x n LYS 21 Ca -0.07 0.57 -0.29 0.00 -0.51 0.00 0.00 58.31 58.01 2k9x n LYS 21 Cb 0.65 -5.16 0.22 0.00 -0.51 0.00 0.00 35.03 30.23 2k9x n LYS 21 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2k9x n GLN 22 N -4.42 -2.18 -0.04 1.97 1.13 -1.23 -4.94 117.38 107.68 2k9x n GLN 22 Ca -0.19 -1.88 -0.08 0.00 -1.94 0.00 0.00 57.00 52.91 2k9x n GLN 22 Cb 0.63 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.47 2k9x n GLN 22 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k9x n THR 23 N -4.31 0.48 -3.57 5.09 -2.24 -1.26 -4.71 114.28 103.75 2k9x n THR 23 Ca 0.16 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 2k9x n THR 23 Cb 0.57 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 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 -5.50 -0.27 0.16 3.42 1.04 -1.26 -3.51 113.70 107.78 2k9x s SER 24 Ca -0.12 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 2k9x s SER 24 Cb 0.04 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 2k9x s SER 24 CO 0.16 -0.35 0.13 -0.76 0.98 0.00 0.00 173.24 173.40 2k9x s LEU 25 N -1.72 1.44 -0.07 2.42 1.02 0.26 -4.94 118.68 117.10 2k9x s LEU 25 Ca 0.04 -1.18 0.01 0.00 0.02 0.00 0.00 54.13 53.01 2k9x s LEU 25 Cb -0.01 0.52 0.02 0.00 0.02 0.00 0.00 46.19 46.74 2k9x s LEU 25 CO -0.04 -0.80 -0.06 -1.10 0.02 0.00 0.00 176.35 174.37 2k9x s GLN 26 N -4.06 1.13 -0.07 1.70 -0.21 -1.25 -0.87 119.66 116.03 2k9x s GLN 26 Ca 0.26 -0.17 -0.03 0.00 0.02 0.00 0.00 55.36 55.43 2k9x s GLN 26 Cb 0.06 -1.13 -0.04 0.00 1.00 0.00 0.00 33.01 32.90 2k9x s GLN 26 CO 0.04 -0.12 0.08 -0.51 -2.12 0.00 0.00 175.29 172.66 2k9x s LEU 27 N 1.16 4.01 -0.23 2.90 1.43 -1.18 -4.86 118.68 121.90 2k9x s LEU 27 Ca -0.07 0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 2k9x s LEU 27 Cb -0.14 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 2k9x s LEU 27 CO -0.01 0.36 -0.01 -0.62 0.23 0.00 0.00 176.35 176.30 2k9x s ASP 28 N -1.22 4.57 0.11 2.29 2.15 -1.26 -2.47 116.67 120.84 2k9x s ASP 28 Ca 0.17 -0.36 0.04 0.00 0.43 0.00 0.00 52.55 52.84 2k9x s ASP 28 Cb -0.12 -1.80 -0.04 0.00 -0.30 0.00 0.00 42.92 40.67 2k9x s ASP 28 CO 0.07 -0.03 0.07 -0.83 -0.17 0.00 0.00 175.17 174.27 2k9x s GLY 29 N 1.52 1.89 -0.13 2.66 0.00 -1.26 -5.03 107.32 106.96 2k9x s GLY 29 Ca 0.06 -1.13 0.09 0.00 0.00 0.00 0.00 44.72 43.74 2k9x s GLY 29 CO -0.01 -1.12 0.00 3.33 0.00 0.00 0.00 173.10 175.30 2k9x n VAL 30 N 0.22 0.89 -3.12 1.40 0.24 -1.26 -4.83 118.33 111.86 2k9x n VAL 30 Ca -0.09 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.50 2k9x n VAL 30 Cb 0.53 -0.75 -0.05 0.00 -1.47 0.00 0.00 33.84 32.10 2k9x n VAL 30 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2k9x n VAL 31 N -2.58 -0.56 0.96 3.34 0.24 -1.26 -4.95 118.33 113.52 2k9x n VAL 31 Ca -0.23 -3.64 0.11 0.00 -2.04 0.00 0.00 64.34 58.55 2k9x n VAL 31 Cb 0.89 -1.31 0.54 0.00 -1.47 0.00 0.00 33.84 32.49 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 1.37 0.20 0.08 7.34 -0.04 -1.26 -3.97 135.00 138.72 2k9x n PRO 32 Ca 0.19 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 2k9x n PRO 32 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.11 -0.92 0.52 2.02 -1.93 -2.30 112.91 110.40 2k9x h THR 33 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 2k9x h THR 33 Cb 0.29 0.11 -0.27 0.00 -1.74 0.00 0.00 68.15 66.53 2k9x h THR 33 CO 0.00 0.00 0.74 0.61 0.37 0.00 0.00 175.52 177.24 2k9x n GLY 34 N -1.46 5.15 3.05 2.16 0.00 -1.25 -4.70 105.19 108.12 2k9x n GLY 34 Ca -0.07 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.95 1.71 0.41 2.61 2.01 -0.87 -5.08 115.64 112.49 2k9x s THR 35 Ca 0.57 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.85 2k9x s THR 35 Cb 0.46 -1.60 0.08 0.00 0.01 0.00 0.00 72.50 71.44 2k9x s THR 35 CO 0.03 0.46 0.57 -0.46 -0.69 0.00 0.00 174.62 174.53 2k9x n ASN 36 N 4.72 1.06 -0.36 3.53 6.94 -1.26 -1.20 115.26 128.69 2k9x n ASN 36 Ca -0.18 -1.83 0.05 0.00 -0.02 0.00 0.00 54.58 52.61 2k9x n ASN 36 Cb 0.50 -0.34 0.21 0.00 -2.36 0.00 0.00 39.78 37.79 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 0.94 -0.73 -4.53 6.46 -1.07 -1.21 115.31 115.16 2k9x h LEU 37 Ca -0.19 0.04 0.13 0.00 -0.12 0.00 0.00 57.88 57.74 2k9x h LEU 37 Cb 0.77 -0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.46 2k9x h LEU 37 CO 0.23 0.53 0.29 -1.13 -0.62 0.00 0.00 178.44 177.74 2k9x h ASN 38 N 1.03 0.27 0.29 1.25 -1.24 -1.79 0.26 115.58 115.65 2k9x h ASN 38 Ca 0.47 0.10 -0.13 0.00 0.71 0.00 0.00 56.30 57.45 2k9x h ASN 38 Cb 0.39 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 2k9x h ASN 38 CO -0.24 0.11 -0.52 1.23 -1.29 0.00 0.00 177.43 176.73 2k9x h GLY 39 N 0.44 0.28 0.65 1.57 0.00 -1.62 -1.78 103.07 102.61 2k9x h GLY 39 Ca 0.40 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2k9x h GLY 39 CO -0.39 0.28 -0.29 -2.00 0.00 0.00 0.00 176.54 174.14 2k9x h LEU 40 N 0.20 -0.68 0.77 3.11 6.46 0.08 -2.20 115.31 123.04 2k9x h LEU 40 Ca 0.01 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2k9x h LEU 40 Cb 0.98 0.18 0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2k9x h LEU 40 CO 0.08 -0.30 -0.38 -0.37 -0.62 0.00 0.00 178.44 176.85 2k9x h VAL 41 N -1.17 0.22 -1.09 1.05 -1.51 -0.70 -2.46 116.25 110.59 2k9x h VAL 41 Ca -0.08 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.69 2k9x h VAL 41 Cb 0.65 0.22 -0.07 0.00 -2.13 0.00 0.00 31.29 29.96 2k9x h VAL 41 CO 0.14 0.00 0.74 -0.61 -1.23 0.00 0.00 177.57 176.60 2k9x h GLN 42 N -1.05 0.20 0.00 5.19 4.15 -1.45 0.57 115.11 122.72 2k9x h GLN 42 Ca -0.10 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.19 2k9x h GLN 42 Cb 0.81 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 2k9x h GLN 42 CO 0.17 0.13 -0.54 1.25 -1.93 0.00 0.00 178.83 177.91 2k9x h LEU 43 N 0.20 0.00 0.01 -2.39 6.46 -0.95 -2.17 115.31 116.47 2k9x h LEU 43 Ca 0.57 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.98 2k9x h LEU 43 Cb 1.83 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.70 2k9x h LEU 43 CO -0.16 0.54 -2.14 0.00 -0.62 0.00 0.00 178.44 176.05 2k9x n LEU 44 N -3.77 0.97 0.00 2.25 -0.00 0.15 -3.96 117.00 112.65 2k9x n LEU 44 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 2k9x n LEU 44 Cb 0.57 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2k9x n LEU 44 CO 0.40 0.56 0.00 2.29 -0.00 0.00 0.00 177.39 180.65 2k9x n LYS 45 N -2.99 0.00 0.00 1.47 2.85 0.13 -1.10 118.16 118.52 2k9x n LYS 45 Ca -0.29 0.28 0.23 0.00 -1.05 0.00 0.00 58.31 57.47 2k9x n LYS 45 Cb 1.09 -0.76 0.72 0.00 -0.65 0.00 0.00 35.03 35.43 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 0.39 0.03 0.58 2.02 -1.58 0.73 112.91 115.07 2k9x h THR 46 Ca 0.00 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.81 2k9x h THR 46 Cb 0.00 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 2k9x h THR 46 CO 0.00 0.00 -2.27 -3.20 0.37 0.00 0.00 175.52 170.42 2k9x n ASN 47 N -3.82 1.49 -3.03 4.18 5.15 -1.13 -4.74 115.26 113.36 2k9x n ASN 47 Ca 0.11 0.03 -0.15 0.00 -0.60 0.00 0.00 54.58 53.97 2k9x n ASN 47 Cb 0.77 -0.19 -0.01 0.00 -0.53 0.00 0.00 39.78 39.82 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k9x n TYR 48 N -3.18 0.35 -0.07 1.20 4.01 -0.26 -4.90 117.16 114.30 2k9x n TYR 48 Ca -0.37 -3.49 -0.14 0.00 -0.16 0.00 0.00 57.90 53.73 2k9x n TYR 48 Cb 1.05 -0.35 -0.14 0.00 -0.31 0.00 0.00 39.34 39.59 2k9x n TYR 48 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2k9x n VAL 49 N 0.18 1.55 -0.95 -0.72 3.14 0.24 -4.48 118.33 117.30 2k9x n VAL 49 Ca 0.20 -0.72 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 2k9x n VAL 49 Cb 0.70 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 2k9x n VAL 49 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2k9x n LYS 50 N -3.11 -1.16 -1.08 1.45 5.02 -1.26 -3.71 118.16 114.30 2k9x n LYS 50 Ca -0.33 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2k9x n LYS 50 Cb 1.07 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.78 2k9x n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k9x n GLU 51 N -0.52 0.00 -2.39 1.97 4.07 -1.26 -4.84 120.64 117.68 2k9x n GLU 51 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 2k9x n GLU 51 Cb 0.29 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.65 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 -0.85 3.63 0.65 5.31 3.52 -1.26 -4.88 118.95 125.06 2k9x s ARG 52 Ca 0.00 0.94 0.40 0.00 -0.13 0.00 0.00 55.73 56.93 2k9x s ARG 52 Cb 0.00 -3.99 2.22 0.00 -1.56 0.00 0.00 34.95 31.61 2k9x s ARG 52 CO 0.00 -1.49 2.32 -1.00 -0.81 0.00 0.00 175.30 174.32 2k9x h PRO 53 N 10.36 0.00 -0.20 5.12 0.13 -1.97 -0.37 132.00 145.07 2k9x h PRO 53 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k9x h PRO 53 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2k9x h PRO 53 CO 1.08 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.38 2k9x n ASP 54 N -3.31 1.66 -0.03 1.44 2.03 -1.26 -3.51 116.55 113.57 2k9x n ASP 54 Ca -0.03 -1.76 -0.03 0.00 0.52 0.00 0.00 54.79 53.49 2k9x n ASP 54 Cb 0.10 -0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.33 0.42 -0.10 -2.67 -0.00 -0.15 -4.54 117.00 110.29 2k9x n LEU 55 Ca 0.15 0.19 -0.23 0.00 -0.00 0.00 0.00 56.01 56.12 2k9x n LEU 55 Cb 0.31 0.22 -0.12 0.00 -0.00 0.00 0.00 43.42 43.84 2k9x n LEU 55 CO 0.12 0.28 -1.09 0.00 -0.00 0.00 0.00 177.39 176.69 2k9x n LEU 56 N -2.75 2.40 -4.59 1.47 -0.00 -1.25 -4.93 117.00 107.34 2k9x n LEU 56 Ca -0.18 0.19 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2k9x n LEU 56 Cb 0.93 -0.95 0.06 0.00 -0.00 0.00 0.00 43.42 43.46 2k9x n LEU 56 CO 0.44 0.69 0.45 1.33 -0.00 0.00 0.00 177.39 180.29 2k9x n VAL 57 N -3.82 3.39 0.41 1.47 0.24 -1.23 0.81 118.33 119.61 2k9x n VAL 57 Ca -0.42 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.22 2k9x n VAL 57 Cb 0.91 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 32.15 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 0.28 -0.90 0.00 -1.34 1.82 0.29 -3.35 116.42 113.22 2k9x h ASP 58 Ca -0.48 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2k9x h ASP 58 Cb 1.37 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.61 2k9x h ASP 58 CO 0.49 -0.56 0.00 0.00 -1.61 0.00 0.00 179.24 177.57 2k9x n GLN 59 N -5.49 0.00 -0.05 0.28 6.02 -1.26 -4.83 117.38 112.04 2k9x n GLN 59 Ca -0.14 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.91 2k9x n GLN 59 Cb 0.43 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.92 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2k9x n THR 60 N -1.42 0.14 -2.04 5.09 -2.24 -1.26 -4.88 114.28 107.68 2k9x n THR 60 Ca 0.00 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 2k9x n THR 60 Cb 0.00 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.80 0.44 0.03 3.38 0.00 -1.26 -4.79 105.19 103.79 2k9x n GLY 61 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.63 0.98 -4.64 1.61 0.00 -1.26 -4.95 117.38 106.50 2k9x n GLN 62 Ca -0.20 0.03 -0.23 0.00 -0.00 0.00 0.00 57.00 56.59 2k9x n GLN 62 Cb 0.63 -1.13 -0.15 0.00 0.00 0.00 0.00 30.24 29.60 2k9x n GLN 62 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2k9x s THR 63 N -2.13 1.32 0.73 1.69 -1.32 -1.26 -4.50 115.64 110.17 2k9x s THR 63 Ca -0.07 -0.88 -0.14 0.00 -1.21 0.00 0.00 61.69 59.39 2k9x s THR 63 Cb 0.02 -1.14 0.04 0.00 -1.51 0.00 0.00 72.50 69.91 2k9x s THR 63 CO 0.16 0.24 1.15 -0.76 -2.21 0.00 0.00 174.62 173.20 2k9x s LEU 64 N -0.74 3.26 0.66 9.08 1.43 -1.26 0.83 118.68 131.93 2k9x s LEU 64 Ca 0.05 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.12 2k9x s LEU 64 Cb -0.07 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 2k9x s LEU 64 CO 0.00 -2.09 1.29 0.00 0.23 0.00 0.00 176.35 175.79 2k9x s ARG 65 N -4.18 2.49 0.47 1.70 1.70 0.24 -4.05 118.95 117.33 2k9x s ARG 65 Ca 0.69 2.05 0.22 0.00 -0.47 0.00 0.00 55.73 58.22 2k9x s ARG 65 Cb -0.24 -1.84 1.23 0.00 -0.57 0.00 0.00 34.95 33.54 2k9x s ARG 65 CO 0.46 -1.64 1.89 -1.35 -1.08 0.00 0.00 175.30 173.59 2k9x h PRO 66 N 0.46 0.23 -1.01 3.89 0.11 -1.93 -1.56 132.00 132.19 2k9x h PRO 66 Ca -0.51 -0.01 0.25 0.00 0.11 0.00 0.00 66.00 65.84 2k9x h PRO 66 Cb 1.34 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.31 2k9x h PRO 66 CO 0.53 0.16 0.65 0.78 -0.21 0.00 0.00 178.00 179.91 2k9x h GLY 67 N 0.24 1.11 -5.91 -0.55 0.00 -1.92 -3.40 103.07 92.64 2k9x h GLY 67 Ca 0.42 -0.20 -0.64 0.00 0.00 0.00 0.00 47.33 46.91 2k9x h GLY 67 CO -0.10 -0.09 -0.48 -0.42 0.00 0.00 0.00 176.54 175.45 2k9x s ILE 68 N -5.47 5.46 -0.43 2.60 1.01 -0.59 0.26 121.20 124.05 2k9x s ILE 68 Ca -0.09 0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 2k9x s ILE 68 Cb 0.24 -3.43 0.08 0.00 0.01 0.00 0.00 42.46 39.36 2k9x s ILE 68 CO 0.79 0.54 0.29 -0.76 0.00 0.00 0.00 174.94 175.80 2k9x s LEU 69 N -0.43 5.25 0.12 2.97 1.02 0.12 -4.80 118.68 122.94 2k9x s LEU 69 Ca 0.12 -1.47 -0.30 0.00 0.02 0.00 0.00 54.13 52.50 2k9x s LEU 69 Cb -0.12 -2.03 -0.06 0.00 0.02 0.00 0.00 46.19 44.00 2k9x s LEU 69 CO 0.02 -0.56 1.06 0.68 0.02 0.00 0.00 176.35 177.56 2k9x s VAL 70 N 1.47 4.21 0.17 -1.59 -7.23 -1.26 -3.36 120.40 112.81 2k9x s VAL 70 Ca 0.03 1.79 0.09 0.00 -1.81 0.00 0.00 61.98 62.08 2k9x s VAL 70 Cb -0.23 -4.14 -0.04 0.00 0.56 0.00 0.00 36.38 32.52 2k9x s VAL 70 CO 0.03 0.25 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.11 2k9x s LEU 71 N 0.13 2.43 -0.20 1.32 1.43 -1.18 -1.44 118.68 121.17 2k9x s LEU 71 Ca 0.50 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2k9x s LEU 71 Cb -0.26 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.10 2k9x s LEU 71 CO 0.32 0.01 -0.07 -0.69 0.23 0.00 0.00 176.35 176.14 2k9x s VAL 72 N -1.89 1.40 -1.37 -1.59 1.01 -1.26 -2.69 120.40 114.01 2k9x s VAL 72 Ca 0.16 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2k9x s VAL 72 Cb -0.07 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.76 2k9x s VAL 72 CO 0.07 0.07 1.07 0.59 0.00 0.00 0.00 175.10 176.90 2k9x n ASN 73 N 4.75 -4.83 -3.55 3.32 4.13 -1.20 -2.51 115.26 115.38 2k9x n ASN 73 Ca -0.13 -0.63 -0.19 0.00 1.68 0.00 0.00 54.58 55.31 2k9x n ASN 73 Cb 0.46 -4.70 0.06 0.00 -1.54 0.00 0.00 39.78 34.06 2k9x n ASN 73 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2k9x n SER 74 N -3.00 -1.87 0.00 6.41 7.64 -1.26 -4.90 113.62 116.64 2k9x n SER 74 Ca -0.06 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2k9x n SER 74 Cb 0.58 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.16 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 -1.09 0.00 0.06 0.00 -0.08 -1.25 -4.76 116.55 109.43 2k9x n ASP 76 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 2k9x n ASP 76 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 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 0.00 0.64 0.22 -1.67 0.00 -1.49 -3.33 119.26 113.62 2k9x h ALA 77 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 54.91 53.91 2k9x h ALA 77 Cb 0.00 0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.01 2k9x h ALA 77 CO 0.00 0.75 -1.47 0.93 0.00 0.00 0.00 179.25 179.47 2k9x h GLU 78 N 0.00 0.46 -0.79 0.00 5.08 -1.86 0.70 114.58 118.17 2k9x h GLU 78 Ca -0.12 -0.79 0.04 0.00 -1.00 0.00 0.00 59.36 57.50 2k9x h GLU 78 Cb 1.48 0.29 -0.05 0.00 0.50 0.00 0.00 28.75 30.98 2k9x h GLU 78 CO 0.04 1.37 0.52 0.28 -1.00 0.00 0.00 179.01 180.23 2k9x h VAL 79 N 0.13 1.11 0.07 3.13 2.07 -1.94 -2.29 116.25 118.53 2k9x h VAL 79 Ca -0.24 -0.33 -0.25 0.00 0.82 0.00 0.00 66.70 66.70 2k9x h VAL 79 Cb 2.12 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2k9x h VAL 79 CO 0.25 0.17 -1.19 -0.37 0.02 0.00 0.00 177.57 176.45 2k9x h VAL 80 N 0.95 1.53 0.00 2.57 -1.51 -1.67 -3.47 116.25 114.65 2k9x h VAL 80 Ca 0.32 -3.18 0.00 0.00 -1.23 0.00 0.00 66.70 62.61 2k9x h VAL 80 Cb 0.08 2.87 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2k9x h VAL 80 CO -0.10 0.91 0.00 0.61 -1.23 0.00 0.00 177.57 177.76 2k9x n GLY 81 N 1.47 -1.13 0.00 5.19 0.00 -0.86 -4.93 105.19 104.92 2k9x n GLY 81 Ca -0.06 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2k9x n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9x n GLY 82 N -1.19 2.89 0.66 -0.02 0.00 0.24 -4.59 105.19 103.18 2k9x n GLY 82 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.76 117.12 112.27 2k9x n MET 83 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 57.70 56.70 2k9x n MET 83 Cb 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 33.22 32.91 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 0.55 -4.63 3.17 2.03 -1.26 -4.06 116.55 112.42 2k9x n ASP 84 Ca 0.00 -2.25 -0.43 0.00 0.52 0.00 0.00 54.79 52.63 2k9x n ASP 84 Cb 0.74 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.64 2.60 0.59 -0.67 6.14 -1.26 -4.64 117.35 119.47 2k9x s TYR 85 Ca 0.08 0.82 -0.17 0.00 0.64 0.00 0.00 57.07 58.44 2k9x s TYR 85 Cb 0.08 -3.95 -0.03 0.00 0.42 0.00 0.00 41.96 38.47 2k9x s TYR 85 CO -0.00 -1.87 1.09 0.14 0.64 0.00 0.00 175.55 175.55 2k9x s VAL 86 N 4.56 3.46 0.32 3.14 -7.23 -1.26 -0.63 120.40 122.76 2k9x s VAL 86 Ca 0.58 0.75 0.07 0.00 -1.81 0.00 0.00 61.98 61.58 2k9x s VAL 86 Cb -0.17 -3.27 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 2k9x s VAL 86 CO 0.25 -0.35 0.33 -0.76 -0.31 0.00 0.00 175.10 174.26 2k9x s LEU 87 N -4.37 3.76 -0.01 1.32 1.02 -0.34 -4.92 118.68 115.14 2k9x s LEU 87 Ca 0.67 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.47 2k9x s LEU 87 Cb -0.19 -2.40 0.01 0.00 0.02 0.00 0.00 46.19 43.63 2k9x s LEU 87 CO 0.35 -0.32 0.97 -3.20 0.02 0.00 0.00 176.35 174.16 2k9x n ASN 88 N -1.42 -0.96 -2.52 2.29 2.85 -1.26 -3.94 115.26 110.29 2k9x n ASN 88 Ca -0.02 -1.91 -0.03 0.00 -0.11 0.00 0.00 54.58 52.50 2k9x n ASN 88 Cb 0.59 0.30 -0.03 0.00 1.24 0.00 0.00 39.78 41.88 2k9x n ASN 88 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2k9x n ASP 89 N -0.05 -3.96 0.00 1.20 -0.08 -1.26 -4.91 116.55 107.49 2k9x n ASP 89 Ca -0.26 1.54 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 2k9x n ASP 89 Cb 0.68 -5.11 0.00 0.00 2.34 0.00 0.00 41.12 39.03 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k9x n GLY 90 N 1.81 1.45 3.99 0.27 0.00 -0.32 -4.53 105.19 107.85 2k9x n GLY 90 Ca -0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 5.00 -0.02 1.61 2.15 -1.09 -4.81 116.67 117.51 2k9x s ASP 91 Ca 0.00 -0.93 -0.00 0.00 0.43 0.00 0.00 52.55 52.05 2k9x s ASP 91 Cb 0.00 0.22 0.02 0.00 -0.30 0.00 0.00 42.92 42.86 2k9x s ASP 91 CO 0.00 -1.20 0.03 -0.89 -0.17 0.00 0.00 175.17 172.94 2k9x s THR 92 N -2.66 -0.04 -0.04 1.71 2.01 -1.26 -1.77 115.64 113.58 2k9x s THR 92 Ca 0.53 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 2k9x s THR 92 Cb -0.05 -0.08 0.02 0.00 0.01 0.00 0.00 72.50 72.40 2k9x s THR 92 CO 0.33 0.07 0.10 0.54 -0.69 0.00 0.00 174.62 174.96 2k9x s VAL 93 N 0.80 -0.02 0.11 3.82 0.11 -0.32 -3.24 120.40 121.66 2k9x s VAL 93 Ca -0.07 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2k9x s VAL 93 Cb -0.09 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2k9x s VAL 93 CO -0.02 0.02 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.08 2k9x s GLU 94 N 0.37 0.88 -0.28 1.54 8.01 -1.10 -3.25 118.70 124.87 2k9x s GLU 94 Ca -0.03 -1.29 0.01 0.00 0.01 0.00 0.00 54.97 53.67 2k9x s GLU 94 Cb -0.04 -0.38 0.08 0.00 -4.31 0.00 0.00 34.13 29.48 2k9x s GLU 94 CO -0.01 0.03 0.02 -0.06 0.01 0.00 0.00 175.26 175.24 2k9x s PHE 95 N -3.18 2.46 -0.21 1.61 0.08 -1.17 -3.10 117.98 114.46 2k9x s PHE 95 Ca 0.10 -2.00 -0.01 0.00 0.12 0.00 0.00 56.93 55.14 2k9x s PHE 95 Cb 0.02 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2k9x s PHE 95 CO -0.02 -0.84 -0.11 0.42 -0.10 0.00 0.00 175.22 174.57 2k9x s ILE 96 N 1.37 2.71 0.61 0.64 1.01 -1.21 -3.04 121.20 123.28 2k9x s ILE 96 Ca 0.03 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 2k9x s ILE 96 Cb -0.18 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2k9x s ILE 96 CO -0.12 0.40 1.06 -0.55 0.00 0.00 0.00 174.94 175.73 2k9x s SER 97 N 1.36 5.68 0.00 3.58 0.15 -1.23 0.11 113.70 123.34 2k9x s SER 97 Ca 0.04 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.51 2k9x s SER 97 Cb -0.15 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2k9x s SER 97 CO -0.07 -1.24 0.00 0.35 1.20 0.00 0.00 173.24 173.48 2k9x n THR 98 N -2.16 0.00 -2.01 6.45 -2.24 0.14 -4.86 114.28 109.59 2k9x n THR 98 Ca 0.09 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 2k9x n THR 98 Cb 0.53 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2k9x n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k9x n LEU 99 N -1.57 0.00 -4.06 3.22 -0.00 -0.73 -4.12 117.00 109.74 2k9x n LEU 99 Ca 0.00 0.39 -0.43 0.00 -0.00 0.00 0.00 56.01 55.96 2k9x n LEU 99 Cb 0.00 -1.17 0.01 0.00 -0.00 0.00 0.00 43.42 42.25 2k9x n LEU 99 CO 0.00 -1.20 1.40 1.41 -0.00 0.00 0.00 177.39 179.00 2k9x n HIS 100 N -1.80 3.28 -1.48 1.47 8.25 -1.26 -4.95 115.22 118.72 2k9x n HIS 100 Ca 0.00 -2.94 0.00 0.00 -0.26 0.00 0.00 57.72 54.52 2k9x n HIS 100 Cb 0.16 -1.68 0.00 0.00 1.12 0.00 0.00 29.99 29.60 2k9x n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k9x n GLY 101 N 2.38 -0.22 0.00 -1.41 0.00 -1.26 -5.24 105.19 99.43 2k9x n GLY 101 Ca 0.32 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93