#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 -1.26 -0.23 6.12 0.15 -1.26 -5.13 113.70 112.09 2k9x s SER 2 Ca 0.00 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.61 2k9x s SER 2 Cb 0.00 1.76 0.09 0.00 -1.71 0.00 0.00 66.02 66.16 2k9x s SER 2 CO 0.00 -0.21 0.18 0.21 1.20 0.00 0.00 173.24 174.62 2k9x s ASN 3 N 2.66 2.20 0.40 5.45 2.47 -1.26 -5.13 114.94 121.73 2k9x s ASN 3 Ca 0.15 -0.67 0.00 0.00 0.42 0.00 0.00 52.86 52.76 2k9x s ASN 3 Cb -0.06 0.07 0.00 0.00 -1.45 0.00 0.00 41.25 39.81 2k9x s ASN 3 CO -0.22 -0.37 0.00 0.00 -3.72 0.00 0.00 177.10 172.79 2k9x n HIS 4 N 5.29 -1.36 -4.20 0.43 1.44 -1.26 -4.90 115.22 110.65 2k9x n HIS 4 Ca -0.05 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.48 2k9x n HIS 4 Cb 0.47 0.12 -0.11 0.00 0.12 0.00 0.00 29.99 30.58 2k9x n HIS 4 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 2k9x s ASN 5 N -4.00 1.77 0.13 4.39 0.01 -1.26 -5.01 114.94 110.96 2k9x s ASN 5 Ca 0.00 -0.74 -0.26 0.00 -0.71 0.00 0.00 52.86 51.15 2k9x s ASN 5 Cb 0.00 -0.05 0.07 0.00 0.41 0.00 0.00 41.25 41.69 2k9x s ASN 5 CO 0.00 -0.14 0.98 -1.38 -1.51 0.00 0.00 177.10 175.05 2k9x s HIS 6 N -1.87 -0.14 -0.02 2.20 -3.43 -1.26 -4.70 115.29 106.07 2k9x s HIS 6 Ca 0.04 -0.13 0.03 0.00 -0.80 0.00 0.00 55.06 54.19 2k9x s HIS 6 Cb -0.06 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 2k9x s HIS 6 CO 0.02 -0.76 -0.09 0.42 -2.00 0.00 0.00 174.74 172.33 2k9x s ILE 7 N -3.20 0.80 -0.47 -5.38 -1.09 1.00 -0.19 121.20 112.66 2k9x s ILE 7 Ca 0.12 -0.38 -0.24 0.00 -2.23 0.00 0.00 60.65 57.91 2k9x s ILE 7 Cb -0.01 -0.70 0.03 0.00 -1.58 0.00 0.00 42.46 40.20 2k9x s ILE 7 CO 0.01 0.24 0.88 -0.89 -1.23 0.00 0.00 174.94 173.95 2k9x s THR 8 N 0.11 4.52 -0.19 2.92 2.01 0.12 -1.94 115.64 123.19 2k9x s THR 8 Ca -0.02 0.55 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 2k9x s THR 8 Cb -0.08 -4.42 0.05 0.00 0.01 0.00 0.00 72.50 68.07 2k9x s THR 8 CO 0.00 -0.85 -0.04 0.54 -0.69 0.00 0.00 174.62 173.59 2k9x s VAL 9 N 3.64 1.12 0.18 3.82 0.11 -0.83 -0.23 120.40 128.21 2k9x s VAL 9 Ca 0.33 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 2k9x s VAL 9 Cb -0.11 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2k9x s VAL 9 CO 0.24 -0.00 0.06 0.00 -3.33 0.00 0.00 175.10 172.06 2k9x s GLN 10 N 1.60 1.12 0.04 1.54 0.00 -1.16 0.90 119.66 123.71 2k9x s GLN 10 Ca -0.02 -1.56 0.03 0.00 -0.00 0.00 0.00 55.36 53.81 2k9x s GLN 10 Cb -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 33.01 32.81 2k9x s GLN 10 CO -0.07 -0.25 -0.09 -0.06 0.00 0.00 0.00 175.29 174.82 2k9x s PHE 11 N -3.88 0.82 -0.29 9.60 0.40 -0.37 -3.00 117.98 121.26 2k9x s PHE 11 Ca 0.29 -0.45 -0.16 0.00 -0.60 0.00 0.00 56.93 56.02 2k9x s PHE 11 Cb 0.07 -0.48 0.11 0.00 0.51 0.00 0.00 43.02 43.23 2k9x s PHE 11 CO 0.06 -0.04 0.82 0.00 0.70 0.00 0.00 175.22 176.76 2k9x s ALA 12 N -1.22 -2.09 0.00 5.36 0.00 -1.19 -4.68 121.76 117.94 2k9x s ALA 12 Ca -0.06 2.32 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2k9x s ALA 12 Cb -0.09 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2k9x s ALA 12 CO 0.01 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2k9x n GLY 13 N 4.17 0.97 2.14 0.00 0.00 -1.26 -3.66 105.19 107.55 2k9x n GLY 13 Ca -0.18 0.00 -0.04 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 0.00 0.72 0.00 -0.02 0.00 -1.26 -3.57 105.19 101.06 2k9x n GLY 14 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.85 -2.84 114.58 118.98 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 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 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 -2.37 0.00 -0.29 3.06 4.77 -1.26 -0.21 117.00 120.69 2k9x n LEU 17 Ca 0.02 0.27 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 2k9x n LEU 17 Cb 0.23 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2k9x n LEU 17 CO 0.20 -0.15 0.44 0.18 -1.33 0.00 0.00 177.39 176.73 2k9x n LEU 18 N -1.27 0.71 0.19 2.23 4.77 -1.07 -4.39 117.00 118.15 2k9x n LEU 18 Ca 0.07 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2k9x n LEU 18 Cb 0.11 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2k9x n LEU 18 CO 0.10 0.15 0.00 0.33 -1.33 0.00 0.00 177.39 176.65 2k9x n PHE 19 N -0.19 -3.79 -2.15 -1.77 -0.00 -1.14 -4.12 117.46 104.31 2k9x n PHE 19 Ca 0.02 1.12 -0.00 0.00 -0.00 0.00 0.00 57.45 58.59 2k9x n PHE 19 Cb 0.15 2.69 0.00 0.00 -0.00 0.00 0.00 39.48 42.32 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 -3.35 -1.63 -3.09 3.13 0.00 -1.14 -4.76 120.51 109.67 2k9x n ALA 20 Ca 0.00 -0.03 -0.19 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 19.03 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 -0.04 -3.12 -2.16 0.00 4.01 0.70 -4.94 118.16 112.62 2k9x n LYS 21 Ca -0.01 0.50 -0.28 0.00 -0.51 0.00 0.00 58.31 58.01 2k9x n LYS 21 Cb 0.42 -5.17 0.05 0.00 -0.51 0.00 0.00 35.03 29.82 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 -5.71 2.62 0.00 1.97 -1.52 -1.25 -4.93 119.66 110.85 2k9x s GLN 22 Ca 0.28 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.76 2k9x s GLN 22 Cb -0.15 -2.15 0.00 0.00 -0.22 0.00 0.00 33.01 30.50 2k9x s GLN 22 CO 0.34 -1.02 0.00 0.25 -0.25 0.00 0.00 175.29 174.61 2k9x n THR 23 N -2.86 0.00 -4.11 -0.19 -2.24 -1.26 -4.38 114.28 99.24 2k9x n THR 23 Ca 0.06 0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 62.20 2k9x n THR 23 Cb 0.59 -1.43 -0.11 0.00 -2.10 0.00 0.00 70.33 67.28 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 -3.25 0.90 0.12 3.42 1.04 -1.26 -1.24 113.70 113.43 2k9x s SER 24 Ca 0.00 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 2k9x s SER 24 Cb 0.00 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2k9x s SER 24 CO 0.00 -0.39 0.06 -0.76 0.98 0.00 0.00 173.24 173.13 2k9x s LEU 25 N -2.44 1.83 -0.23 2.42 1.02 0.26 -4.95 118.68 116.58 2k9x s LEU 25 Ca 0.02 -1.16 0.02 0.00 0.02 0.00 0.00 54.13 53.03 2k9x s LEU 25 Cb -0.00 0.33 0.05 0.00 0.02 0.00 0.00 46.19 46.59 2k9x s LEU 25 CO -0.04 -0.72 -0.10 -1.10 0.02 0.00 0.00 176.35 174.41 2k9x s GLN 26 N -4.03 2.13 -0.17 1.70 -0.21 -1.26 -1.97 119.66 115.86 2k9x s GLN 26 Ca 0.21 -1.10 -0.13 0.00 0.02 0.00 0.00 55.36 54.36 2k9x s GLN 26 Cb 0.07 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 2k9x s GLN 26 CO -0.00 -0.51 0.26 -0.51 -2.12 0.00 0.00 175.29 172.42 2k9x s LEU 27 N 1.25 4.24 -0.50 2.90 1.43 -0.82 -4.81 118.68 122.38 2k9x s LEU 27 Ca -0.05 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 2k9x s LEU 27 Cb -0.18 -2.32 0.13 0.00 0.03 0.00 0.00 46.19 43.85 2k9x s LEU 27 CO -0.07 0.12 0.25 1.51 0.23 0.00 0.00 176.35 178.40 2k9x s ASP 28 N 0.41 4.12 0.81 2.29 -4.77 -1.26 -0.00 116.67 118.27 2k9x s ASP 28 Ca 0.15 -2.91 -0.12 0.00 -3.30 0.00 0.00 52.55 46.38 2k9x s ASP 28 Cb -0.13 -1.46 0.08 0.00 -1.09 0.00 0.00 42.92 40.31 2k9x s ASP 28 CO 0.03 -0.24 1.11 -0.83 0.70 0.00 0.00 175.17 175.94 2k9x s GLY 29 N -0.11 1.61 -0.20 2.12 0.00 -1.26 -5.02 107.32 104.46 2k9x s GLY 29 Ca 0.17 -0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.47 2k9x s GLY 29 CO 0.00 0.15 0.11 -0.62 0.00 0.00 0.00 173.10 172.74 2k9x n VAL 30 N -3.43 1.60 -3.35 1.40 0.31 -1.26 -4.74 118.33 108.86 2k9x n VAL 30 Ca 0.07 -0.34 -0.26 0.00 -0.01 0.00 0.00 64.34 63.80 2k9x n VAL 30 Cb 0.57 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 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 -3.99 0.40 0.48 2.52 0.24 -1.26 -4.94 118.33 111.79 2k9x n VAL 31 Ca -0.38 -4.39 0.02 0.00 -2.04 0.00 0.00 64.34 57.56 2k9x n VAL 31 Cb 0.86 -1.98 0.12 0.00 -1.47 0.00 0.00 33.84 31.38 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 1.48 2.16 0.46 7.34 -0.05 -1.26 -4.41 135.00 140.72 2k9x n PRO 32 Ca 0.25 -0.97 -0.20 0.00 -0.05 0.00 0.00 63.50 62.53 2k9x n PRO 32 Cb 0.47 -1.69 -0.10 0.00 -0.05 0.00 0.00 33.50 32.13 2k9x n PRO 32 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 2k9x h THR 33 N 1.26 0.14 -0.88 0.52 2.02 -1.91 -3.05 112.91 111.01 2k9x h THR 33 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.62 2k9x h THR 33 Cb 0.91 0.14 -0.26 0.00 -1.74 0.00 0.00 68.15 67.19 2k9x h THR 33 CO 0.14 0.00 0.72 0.61 0.37 0.00 0.00 175.52 177.36 2k9x n GLY 34 N -1.59 5.12 3.69 2.16 0.00 -1.26 -4.83 105.19 108.47 2k9x n GLY 34 Ca -0.15 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 2k9x n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k9x s THR 35 N -3.87 4.62 0.11 2.61 2.01 -1.15 -5.06 115.64 114.91 2k9x s THR 35 Ca 0.55 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.44 2k9x s THR 35 Cb 0.44 -3.00 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 2k9x s THR 35 CO 0.02 0.56 0.02 -0.46 -0.69 0.00 0.00 174.62 174.07 2k9x n ASN 36 N 2.56 1.62 -0.26 3.53 0.23 -1.26 -2.10 115.26 119.57 2k9x n ASN 36 Ca -0.18 -1.54 0.02 0.00 -0.53 0.00 0.00 54.58 52.34 2k9x n ASN 36 Cb 0.53 0.18 0.14 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.52 -1.47 -4.53 6.46 -1.68 0.18 115.31 114.80 2k9x h LEU 37 Ca -0.09 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.80 2k9x h LEU 37 Cb 0.31 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 2k9x h LEU 37 CO 0.15 0.30 0.44 -1.13 -0.62 0.00 0.00 178.44 177.58 2k9x h ASN 38 N 0.66 0.55 0.72 1.25 -0.00 -1.90 -0.54 115.58 116.33 2k9x h ASN 38 Ca 0.36 0.01 -0.24 0.00 -0.00 0.00 0.00 56.30 56.42 2k9x h ASN 38 Cb 0.35 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 2k9x h ASN 38 CO -0.26 0.35 -1.10 1.23 -0.00 0.00 0.00 177.43 177.65 2k9x h GLY 39 N 0.63 0.21 0.82 1.57 0.00 -1.43 -3.03 103.07 101.85 2k9x h GLY 39 Ca 0.30 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2k9x h GLY 39 CO -0.10 0.44 -0.06 1.41 0.00 0.00 0.00 176.54 178.24 2k9x h LEU 40 N 0.06 -0.14 0.47 3.11 3.38 0.59 -1.98 115.31 120.80 2k9x h LEU 40 Ca -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2k9x h LEU 40 Cb 1.83 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2k9x h LEU 40 CO 0.17 0.06 -0.35 -0.37 0.09 0.00 0.00 178.44 178.04 2k9x h VAL 41 N -0.35 0.28 -1.03 1.22 -1.51 -1.27 -2.06 116.25 111.53 2k9x h VAL 41 Ca -0.02 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.72 2k9x h VAL 41 Cb 0.28 0.28 -0.08 0.00 -2.13 0.00 0.00 31.29 29.64 2k9x h VAL 41 CO 0.03 0.00 0.69 -0.61 -1.23 0.00 0.00 177.57 176.44 2k9x h GLN 42 N -0.81 0.29 0.00 5.19 4.15 -1.55 0.53 115.11 122.92 2k9x h GLN 42 Ca -0.05 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 2k9x h GLN 42 Cb 0.69 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2k9x h GLN 42 CO 0.01 0.19 -0.34 1.25 -1.93 0.00 0.00 178.83 178.01 2k9x h LEU 43 N 0.30 0.00 0.04 -2.39 5.85 -0.65 -1.20 115.31 117.25 2k9x h LEU 43 Ca 0.56 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.90 2k9x h LEU 43 Cb 1.59 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 2k9x h LEU 43 CO -0.21 0.34 -2.28 0.00 -0.34 0.00 0.00 178.44 175.95 2k9x n LEU 44 N -3.79 2.39 -0.05 2.25 -0.00 0.15 -4.00 117.00 113.95 2k9x n LEU 44 Ca -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 2k9x n LEU 44 Cb 0.42 -0.73 -0.01 0.00 -0.00 0.00 0.00 43.42 43.11 2k9x n LEU 44 CO 0.37 0.83 -0.15 0.07 -0.00 0.00 0.00 177.39 178.50 2k9x h LYS 45 N 0.02 0.00 -0.03 1.47 2.10 -0.53 -0.43 116.57 119.17 2k9x h LYS 45 Ca -0.51 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.15 2k9x h LYS 45 Cb 1.99 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.32 2k9x h LYS 45 CO -0.01 0.00 0.10 1.15 -2.00 0.00 0.00 179.45 178.69 2k9x h THR 46 N -0.79 0.15 0.01 0.07 2.02 -1.40 0.61 112.91 113.58 2k9x h THR 46 Ca 0.00 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.80 2k9x h THR 46 Cb 0.22 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 2k9x h THR 46 CO 0.00 0.00 -2.38 -3.20 0.37 0.00 0.00 175.52 170.31 2k9x n ASN 47 N -3.26 1.37 -2.80 4.18 2.85 -1.12 -4.80 115.26 111.67 2k9x n ASN 47 Ca -0.02 -0.05 -0.10 0.00 -0.11 0.00 0.00 54.58 54.30 2k9x n ASN 47 Cb 0.18 -0.02 0.06 0.00 1.24 0.00 0.00 39.78 41.23 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 -3.12 -1.01 0.06 1.20 4.01 -0.19 -4.96 117.16 113.14 2k9x n TYR 48 Ca -0.40 -2.61 -0.21 0.00 -0.16 0.00 0.00 57.90 54.52 2k9x n TYR 48 Cb 1.05 0.64 -0.15 0.00 -0.31 0.00 0.00 39.34 40.57 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 2.28 1.41 0.00 -0.72 3.04 0.43 -3.38 116.25 119.31 2k9x h VAL 49 Ca -0.11 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.04 2k9x h VAL 49 Cb 1.15 3.11 0.00 0.00 -2.01 0.00 0.00 31.29 33.55 2k9x h VAL 49 CO 0.25 0.73 0.00 0.29 -1.01 0.00 0.00 177.57 177.83 2k9x n LYS 50 N -4.05 0.00 0.00 4.17 4.76 -1.26 -3.23 118.16 118.55 2k9x n LYS 50 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2k9x n LYS 50 Cb 0.87 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.06 2k9x n LYS 50 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2k9x n GLU 51 N 0.00 -0.43 -2.16 1.97 4.07 -1.26 -4.95 120.64 117.87 2k9x n GLU 51 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 2k9x n GLU 51 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 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 -2.56 4.30 0.43 5.31 3.52 -1.26 -4.91 118.95 123.77 2k9x s ARG 52 Ca 0.00 2.07 0.23 0.00 -0.13 0.00 0.00 55.73 57.90 2k9x s ARG 52 Cb 0.00 -3.36 0.82 0.00 -1.56 0.00 0.00 34.95 30.85 2k9x s ARG 52 CO 0.00 -0.50 1.78 -1.00 -0.81 0.00 0.00 175.30 174.77 2k9x h PRO 53 N 7.20 0.00 -0.37 5.12 0.13 -1.95 -3.00 132.00 139.13 2k9x h PRO 53 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k9x h PRO 53 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k9x h PRO 53 CO 0.88 0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 178.64 2k9x n ASP 54 N -3.35 2.45 0.14 1.44 8.00 -1.26 -3.88 116.55 120.08 2k9x n ASP 54 Ca 0.01 -1.91 0.10 0.00 0.71 0.00 0.00 54.79 53.69 2k9x n ASP 54 Cb 0.46 -0.24 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 2k9x n ASP 54 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k9x h LEU 55 N 2.92 0.00 0.00 0.64 8.10 -1.93 -3.39 115.31 121.65 2k9x h LEU 55 Ca 0.00 0.00 -0.39 0.00 0.11 0.00 0.00 57.88 57.60 2k9x h LEU 55 Cb 0.65 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.81 2k9x h LEU 55 CO 0.00 0.11 -2.32 0.00 -4.11 0.00 0.00 178.44 172.12 2k9x n LEU 56 N -2.90 1.82 -4.76 0.17 -0.00 -1.26 -4.90 117.00 105.18 2k9x n LEU 56 Ca 0.01 0.24 -0.39 0.00 -0.00 0.00 0.00 56.01 55.87 2k9x n LEU 56 Cb 0.59 -0.71 0.02 0.00 -0.00 0.00 0.00 43.42 43.32 2k9x n LEU 56 CO 0.38 0.54 0.98 0.68 -0.00 0.00 0.00 177.39 179.98 2k9x s VAL 57 N -2.43 2.30 0.03 1.47 -7.23 -1.25 0.76 120.40 114.04 2k9x s VAL 57 Ca -0.33 0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.79 2k9x s VAL 57 Cb 0.12 -3.13 -0.17 0.00 0.56 0.00 0.00 36.38 33.76 2k9x s VAL 57 CO 0.43 0.02 1.27 -0.78 -0.31 0.00 0.00 175.10 175.72 2k9x h ASP 58 N 1.99 -0.92 0.00 4.85 1.82 -0.09 -3.38 116.42 120.68 2k9x h ASP 58 Ca -0.50 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2k9x h ASP 58 Cb 1.27 0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.52 2k9x h ASP 58 CO 0.60 -0.57 0.00 1.67 -1.61 0.00 0.00 179.24 179.33 2k9x n GLN 59 N -5.43 0.00 0.00 0.28 0.00 -1.26 -4.87 117.38 106.09 2k9x n GLN 59 Ca -0.14 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 56.98 2k9x n GLN 59 Cb 0.43 0.00 0.68 0.00 0.00 0.00 0.00 30.24 31.35 2k9x n GLN 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2k9x n THR 60 N -1.63 0.00 -2.23 1.69 -2.24 -1.26 -4.87 114.28 103.74 2k9x n THR 60 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2k9x n THR 60 Cb 0.00 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 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 0.83 -0.05 0.05 3.38 0.00 -1.26 -4.83 105.19 103.31 2k9x n GLY 61 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.75 0.00 -4.84 1.61 7.27 -1.26 -5.03 117.38 112.38 2k9x n GLN 62 Ca -0.22 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.52 2k9x n GLN 62 Cb 0.66 -0.88 -0.14 0.00 2.41 0.00 0.00 30.24 32.30 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 -1.81 3.06 0.16 1.69 -1.32 -1.26 -4.86 115.64 111.31 2k9x s THR 63 Ca 0.00 -0.70 -0.30 0.00 -1.21 0.00 0.00 61.69 59.48 2k9x s THR 63 Cb 0.00 -2.23 -0.08 0.00 -1.51 0.00 0.00 72.50 68.67 2k9x s THR 63 CO 0.00 0.56 1.31 -0.76 -2.21 0.00 0.00 174.62 173.53 2k9x s LEU 64 N -0.28 4.40 0.80 9.08 2.01 -1.26 0.60 118.68 134.03 2k9x s LEU 64 Ca 0.02 2.34 -0.14 0.00 0.01 0.00 0.00 54.13 56.36 2k9x s LEU 64 Cb -0.13 -3.60 0.06 0.00 0.01 0.00 0.00 46.19 42.54 2k9x s LEU 64 CO 0.03 -0.55 1.12 -2.11 1.01 0.00 0.00 176.35 175.86 2k9x n ARG 65 N 3.08 0.24 -1.74 1.70 1.85 0.23 -4.60 116.66 117.42 2k9x n ARG 65 Ca 0.08 0.15 -0.42 0.00 -1.00 0.00 0.00 57.85 56.66 2k9x n ARG 65 Cb 0.43 -2.37 -0.01 0.00 -1.05 0.00 0.00 32.46 29.46 2k9x n ARG 65 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2k9x n PRO 66 N -2.91 2.54 0.00 2.89 -0.04 -1.26 -3.98 135.00 132.24 2k9x n PRO 66 Ca 0.13 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 2k9x n PRO 66 Cb 0.50 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 1.17 4.07 3.69 0.55 0.00 -1.26 -4.90 105.19 108.52 2k9x n GLY 67 Ca 0.05 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 5.24 -0.52 -0.61 1.01 -1.26 -1.38 121.20 123.69 2k9x s ILE 68 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 60.65 61.14 2k9x s ILE 68 Cb 0.00 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.87 2k9x s ILE 68 CO 0.00 0.31 0.51 -0.76 0.00 0.00 0.00 174.94 175.00 2k9x s LEU 69 N 0.94 5.65 0.13 2.97 1.02 0.60 -4.85 118.68 125.15 2k9x s LEU 69 Ca 0.18 -1.41 -0.30 0.00 0.02 0.00 0.00 54.13 52.62 2k9x s LEU 69 Cb -0.14 -2.25 -0.06 0.00 0.02 0.00 0.00 46.19 43.75 2k9x s LEU 69 CO 0.07 -0.82 1.08 0.68 0.02 0.00 0.00 176.35 177.38 2k9x s VAL 70 N 1.94 4.12 0.01 -1.59 -7.23 -1.26 -3.34 120.40 113.04 2k9x s VAL 70 Ca 0.07 1.72 0.05 0.00 -1.81 0.00 0.00 61.98 62.00 2k9x s VAL 70 Cb -0.25 -4.10 -0.01 0.00 0.56 0.00 0.00 36.38 32.58 2k9x s VAL 70 CO 0.06 0.25 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.19 2k9x s LEU 71 N 0.09 2.08 -0.29 1.32 1.43 -1.08 -0.87 118.68 121.35 2k9x s LEU 71 Ca 0.51 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2k9x s LEU 71 Cb -0.27 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.28 2k9x s LEU 71 CO 0.32 0.13 0.00 -0.69 0.23 0.00 0.00 176.35 176.35 2k9x s VAL 72 N -0.51 3.14 -1.17 -1.59 1.01 0.25 -2.58 120.40 118.94 2k9x s VAL 72 Ca 0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 2k9x s VAL 72 Cb -0.06 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2k9x s VAL 72 CO 0.00 -0.03 0.89 0.59 0.00 0.00 0.00 175.10 176.55 2k9x n ASN 73 N 4.68 -3.58 -3.56 3.32 4.13 -1.18 -2.86 115.26 116.21 2k9x n ASN 73 Ca -0.14 -0.73 -0.19 0.00 1.68 0.00 0.00 54.58 55.20 2k9x n ASN 73 Cb 0.45 -4.75 0.06 0.00 -1.54 0.00 0.00 39.78 34.00 2k9x n ASN 73 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k9x n SER 74 N -3.10 -1.77 -3.57 6.41 2.88 -1.26 -5.00 113.62 108.20 2k9x n SER 74 Ca -0.21 -0.71 -0.15 0.00 -1.33 0.00 0.00 58.87 56.48 2k9x n SER 74 Cb 0.65 -4.64 -0.06 0.00 -0.75 0.00 0.00 64.21 59.41 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 1.51 2.71 0.13 0.00 8.00 -1.26 0.86 116.55 128.50 2k9x n ASP 76 Ca -0.16 1.05 0.06 0.00 0.71 0.00 0.00 54.79 56.45 2k9x n ASP 76 Cb 0.56 -1.24 0.04 0.00 -0.02 0.00 0.00 41.12 40.46 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 7.54 0.72 -0.01 2.24 0.00 -1.31 -3.31 119.26 125.14 2k9x h ALA 77 Ca -0.47 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 2k9x h ALA 77 Cb 1.30 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2k9x h ALA 77 CO 0.93 0.39 -0.72 0.93 0.00 0.00 0.00 179.25 180.78 2k9x h GLU 78 N 0.00 0.04 -0.73 0.00 4.39 -1.87 0.44 114.58 116.86 2k9x h GLU 78 Ca -0.03 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2k9x h GLU 78 Cb 1.24 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2k9x h GLU 78 CO 0.03 0.74 0.26 0.28 -1.16 0.00 0.00 179.01 179.16 2k9x h VAL 79 N 0.03 1.26 0.15 3.13 2.07 -1.94 -3.07 116.25 117.88 2k9x h VAL 79 Ca -0.01 -0.85 -0.29 0.00 0.82 0.00 0.00 66.70 66.36 2k9x h VAL 79 Cb 1.27 0.44 0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2k9x h VAL 79 CO 0.10 0.34 -1.29 -0.37 0.02 0.00 0.00 177.57 176.37 2k9x h VAL 80 N 1.07 1.41 0.00 2.57 -1.51 -1.69 -3.47 116.25 114.63 2k9x h VAL 80 Ca 0.24 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.84 2k9x h VAL 80 Cb 0.27 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 2k9x h VAL 80 CO -0.01 0.85 0.00 0.61 -1.23 0.00 0.00 177.57 177.78 2k9x n GLY 81 N 1.52 -0.69 0.00 5.19 0.00 -0.80 -4.97 105.19 105.45 2k9x n GLY 81 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.33 2.89 0.99 -0.02 0.00 0.15 -4.50 105.19 103.37 2k9x n GLY 82 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.85 1.61 0.00 -1.26 -4.78 117.12 111.84 2k9x n MET 83 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 57.70 56.37 2k9x n MET 83 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 33.22 33.10 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 0.22 0.34 -4.56 3.17 2.03 -1.26 -4.03 116.55 112.46 2k9x n ASP 84 Ca -0.01 -1.98 -0.42 0.00 0.52 0.00 0.00 54.79 52.90 2k9x n ASP 84 Cb 0.88 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 41.02 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 2.49 0.42 -0.67 6.14 -1.26 -4.78 117.35 119.69 2k9x s TYR 85 Ca 0.12 0.16 -0.24 0.00 0.64 0.00 0.00 57.07 57.75 2k9x s TYR 85 Cb 0.14 -4.52 -0.08 0.00 0.42 0.00 0.00 41.96 37.91 2k9x s TYR 85 CO -0.06 -1.77 1.11 0.14 0.64 0.00 0.00 175.55 175.61 2k9x s VAL 86 N 5.16 3.42 0.19 3.14 -7.23 -1.26 -2.14 120.40 121.68 2k9x s VAL 86 Ca 0.38 1.10 -0.15 0.00 -1.81 0.00 0.00 61.98 61.51 2k9x s VAL 86 Cb -0.08 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.29 2k9x s VAL 86 CO 0.20 0.02 0.46 -1.48 -0.31 0.00 0.00 175.10 173.99 2k9x s LEU 87 N -2.72 0.34 0.13 1.32 -0.00 -0.89 -4.97 118.68 111.88 2k9x s LEU 87 Ca 0.59 -0.63 0.00 0.00 -0.00 0.00 0.00 54.13 54.09 2k9x s LEU 87 Cb -0.26 1.85 0.00 0.00 -0.00 0.00 0.00 46.19 47.79 2k9x s LEU 87 CO 0.32 -1.02 0.00 -3.20 -0.00 0.00 0.00 176.35 172.45 2k9x n ASN 88 N -0.31 0.08 -3.74 1.48 2.85 -1.26 -4.36 115.26 110.00 2k9x n ASN 88 Ca -0.08 0.21 -0.12 0.00 -0.11 0.00 0.00 54.58 54.48 2k9x n ASN 88 Cb 0.62 0.12 -0.13 0.00 1.24 0.00 0.00 39.78 41.63 2k9x n ASN 88 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 2k9x s ASP 89 N -4.79 -0.26 0.00 1.20 -4.77 -1.26 -4.76 116.67 102.03 2k9x s ASP 89 Ca 0.00 0.52 0.00 0.00 -3.30 0.00 0.00 52.55 49.77 2k9x s ASP 89 Cb 0.00 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 2k9x s ASP 89 CO 0.00 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 176.33 2k9x n GLY 90 N 3.93 0.79 3.91 2.12 0.00 0.74 -4.91 105.19 111.77 2k9x n GLY 90 Ca -0.22 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.45 5.70 -0.02 1.61 2.15 -1.25 -4.88 116.67 117.52 2k9x s ASP 91 Ca 0.00 0.76 0.00 0.00 0.43 0.00 0.00 52.55 53.75 2k9x s ASP 91 Cb 0.00 -1.80 0.03 0.00 -0.30 0.00 0.00 42.92 40.85 2k9x s ASP 91 CO 0.00 -0.99 0.01 -0.89 -0.17 0.00 0.00 175.17 173.13 2k9x s THR 92 N -2.96 0.06 -0.04 1.71 2.01 -1.26 0.16 115.64 115.32 2k9x s THR 92 Ca 0.53 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.66 2k9x s THR 92 Cb -0.11 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.26 2k9x s THR 92 CO 0.45 0.11 0.06 0.54 -0.69 0.00 0.00 174.62 175.10 2k9x s VAL 93 N 1.01 -0.10 -0.03 3.82 0.11 0.68 -3.11 120.40 122.77 2k9x s VAL 93 Ca -0.09 0.34 0.05 0.00 -2.93 0.00 0.00 61.98 59.34 2k9x s VAL 93 Cb -0.13 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 2k9x s VAL 93 CO -0.02 0.14 -0.17 -1.61 -3.33 0.00 0.00 175.10 170.11 2k9x s GLU 94 N 1.74 1.58 -0.41 1.54 2.02 -1.06 -3.00 118.70 121.10 2k9x s GLU 94 Ca -0.01 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.31 2k9x s GLU 94 Cb -0.12 -1.43 0.08 0.00 0.10 0.00 0.00 34.13 32.76 2k9x s GLU 94 CO -0.03 0.28 0.24 -0.06 0.02 0.00 0.00 175.26 175.71 2k9x s PHE 95 N -0.12 3.35 -0.40 1.61 0.40 -1.16 -2.65 117.98 119.01 2k9x s PHE 95 Ca 0.00 -1.59 -0.07 0.00 -0.60 0.00 0.00 56.93 54.67 2k9x s PHE 95 Cb -0.09 -2.93 0.08 0.00 0.51 0.00 0.00 43.02 40.58 2k9x s PHE 95 CO 0.01 -0.85 0.21 0.42 0.70 0.00 0.00 175.22 175.71 2k9x s ILE 96 N 1.40 3.87 0.15 0.64 1.01 -1.21 -3.18 121.20 123.88 2k9x s ILE 96 Ca 0.03 -1.50 -0.24 0.00 0.00 0.00 0.00 60.65 58.93 2k9x s ILE 96 Cb -0.23 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2k9x s ILE 96 CO 0.02 -0.47 0.74 -0.55 0.00 0.00 0.00 174.94 174.67 2k9x s SER 97 N 1.91 7.33 0.16 3.58 0.15 -1.23 -0.29 113.70 125.30 2k9x s SER 97 Ca 0.03 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.25 2k9x s SER 97 Cb -0.22 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2k9x s SER 97 CO 0.01 0.22 0.00 0.35 1.20 0.00 0.00 173.24 175.01 2k9x n THR 98 N 1.59 0.01 -2.80 6.45 -2.24 -0.48 -4.66 114.28 112.14 2k9x n THR 98 Ca -0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 2k9x n THR 98 Cb 0.49 -0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -6.06 4.56 -0.38 3.22 2.96 -1.20 -4.96 118.68 116.82 2k9x s LEU 99 Ca 0.00 -2.69 -0.17 0.00 -0.22 0.00 0.00 54.13 51.06 2k9x s LEU 99 Cb 0.00 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.22 2k9x s LEU 99 CO 0.00 -0.95 0.42 -1.38 -1.32 0.00 0.00 176.35 173.12 2k9x s HIS 100 N 2.72 3.19 0.00 5.38 -3.43 -1.26 -4.31 115.29 117.57 2k9x s HIS 100 Ca 0.46 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 2k9x s HIS 100 Cb -0.00 -2.81 0.00 0.00 -1.43 0.00 0.00 32.58 28.34 2k9x s HIS 100 CO 0.02 -0.57 0.00 0.41 -2.00 0.00 0.00 174.74 172.60 2k9x n GLY 101 N 5.01 0.48 0.00 -1.38 0.00 -1.26 -5.20 105.19 102.84 2k9x n GLY 101 Ca -0.08 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93