#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 -0.67 0.04 6.12 0.15 -1.26 -5.14 113.70 112.93 2k9x s SER 2 Ca 0.00 1.21 -0.30 0.00 0.70 0.00 0.00 55.95 57.56 2k9x s SER 2 Cb 0.00 1.17 -0.06 0.00 -1.71 0.00 0.00 66.02 65.42 2k9x s SER 2 CO 0.00 -0.21 1.30 0.20 1.20 0.00 0.00 173.24 175.73 2k9x s ASN 3 N 0.79 6.95 -0.13 5.45 0.01 -1.26 -4.92 114.94 121.83 2k9x s ASN 3 Ca -0.04 2.08 0.17 0.00 -0.71 0.00 0.00 52.86 54.36 2k9x s ASN 3 Cb -0.05 -2.57 0.43 0.00 0.41 0.00 0.00 41.25 39.46 2k9x s ASN 3 CO -0.06 -0.60 1.20 1.57 -1.51 0.00 0.00 177.10 177.69 2k9x n HIS 4 N 4.57 0.05 -5.06 2.20 -0.00 -1.26 -5.05 115.22 110.67 2k9x n HIS 4 Ca 0.11 -1.12 -0.29 0.00 0.46 0.00 0.00 57.72 56.88 2k9x n HIS 4 Cb 0.45 -0.21 -0.16 0.00 -0.12 0.00 0.00 29.99 29.94 2k9x n HIS 4 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k9x s ASN 5 N -2.76 2.64 -0.30 0.26 4.22 -1.26 -4.91 114.94 112.83 2k9x s ASN 5 Ca 0.37 -0.43 -0.23 0.00 -2.14 0.00 0.00 52.86 50.42 2k9x s ASN 5 Cb 0.38 -0.70 0.18 0.00 1.28 0.00 0.00 41.25 42.39 2k9x s ASN 5 CO -0.11 0.21 1.34 -1.38 -2.04 0.00 0.00 177.10 175.12 2k9x s HIS 6 N -0.10 -0.13 0.16 1.54 -3.43 -1.26 -4.65 115.29 107.42 2k9x s HIS 6 Ca -0.03 0.31 0.07 0.00 -0.80 0.00 0.00 55.06 54.61 2k9x s HIS 6 Cb -0.12 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 2k9x s HIS 6 CO 0.03 -0.06 -0.02 0.42 -2.00 0.00 0.00 174.74 173.11 2k9x s ILE 7 N 0.27 3.66 -0.24 -5.38 -1.09 -0.79 -2.03 121.20 115.59 2k9x s ILE 7 Ca 0.04 -1.41 0.02 0.00 -2.23 0.00 0.00 60.65 57.07 2k9x s ILE 7 Cb -0.04 -2.82 0.05 0.00 -1.58 0.00 0.00 42.46 38.07 2k9x s ILE 7 CO -0.13 -0.08 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.50 2k9x s THR 8 N -1.66 2.02 -0.27 2.92 2.01 0.19 -3.55 115.64 117.31 2k9x s THR 8 Ca 0.27 -1.46 -0.00 0.00 0.31 0.00 0.00 61.69 60.80 2k9x s THR 8 Cb -0.10 -2.12 0.08 0.00 0.01 0.00 0.00 72.50 70.37 2k9x s THR 8 CO 0.18 0.03 0.04 0.54 -0.69 0.00 0.00 174.62 174.72 2k9x s VAL 9 N 1.19 1.08 0.11 3.82 0.11 -0.30 -0.57 120.40 125.83 2k9x s VAL 9 Ca -0.07 -1.25 0.05 0.00 -2.93 0.00 0.00 61.98 57.79 2k9x s VAL 9 Cb -0.19 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 2k9x s VAL 9 CO -0.06 -0.43 -0.13 0.00 -3.33 0.00 0.00 175.10 171.16 2k9x s GLN 10 N 1.56 0.96 0.01 1.54 0.00 -1.08 -0.03 119.66 122.61 2k9x s GLN 10 Ca 0.04 -1.21 0.06 0.00 -0.00 0.00 0.00 55.36 54.25 2k9x s GLN 10 Cb -0.18 -0.76 -0.03 0.00 0.00 0.00 0.00 33.01 32.04 2k9x s GLN 10 CO -0.15 0.14 -0.19 -0.06 0.00 0.00 0.00 175.29 175.02 2k9x s PHE 11 N -2.26 2.54 0.20 9.60 0.40 -0.52 -3.13 117.98 124.80 2k9x s PHE 11 Ca 0.08 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 2k9x s PHE 11 Cb -0.04 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2k9x s PHE 11 CO 0.02 0.17 0.08 0.00 0.70 0.00 0.00 175.22 176.19 2k9x s ALA 12 N -0.81 1.31 0.00 5.36 0.00 0.68 -4.62 121.76 123.68 2k9x s ALA 12 Ca 0.13 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2k9x s ALA 12 Cb -0.10 1.00 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2k9x s ALA 12 CO 0.03 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2k9x n GLY 13 N -0.29 1.12 1.36 0.00 0.00 -1.26 -2.40 105.19 103.72 2k9x n GLY 13 Ca -0.02 0.32 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 3.72 0.08 -0.02 0.00 -1.26 -4.76 105.19 102.95 2k9x n GLY 14 Ca 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 0.43 0.00 0.00 4.11 -1.82 -0.76 114.58 116.54 2k9x h GLU 16 Ca -0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2k9x h GLU 16 Cb 1.86 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.02 2k9x h GLU 16 CO 0.00 0.28 0.00 1.28 0.07 0.00 0.00 179.01 180.65 2k9x n LEU 17 N -4.48 0.00 -0.47 3.06 4.32 -1.26 -0.18 117.00 118.00 2k9x n LEU 17 Ca 0.04 0.44 0.02 0.00 -0.02 0.00 0.00 56.01 56.49 2k9x n LEU 17 Cb 0.13 -0.44 0.07 0.00 -1.62 0.00 0.00 43.42 41.56 2k9x n LEU 17 CO 0.35 -0.25 0.49 0.18 -1.22 0.00 0.00 177.39 176.94 2k9x n LEU 18 N -1.44 1.24 0.11 2.23 4.77 -0.29 -4.46 117.00 119.16 2k9x n LEU 18 Ca 0.04 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2k9x n LEU 18 Cb 0.14 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2k9x n LEU 18 CO 0.11 0.25 0.00 0.33 -1.33 0.00 0.00 177.39 176.75 2k9x n PHE 19 N 0.01 -2.42 -2.38 -1.77 7.35 -1.09 -1.61 117.46 115.55 2k9x n PHE 19 Ca 0.05 0.54 -0.01 0.00 -0.76 0.00 0.00 57.45 57.27 2k9x n PHE 19 Cb 0.24 1.37 0.03 0.00 0.35 0.00 0.00 39.48 41.48 2k9x n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9x n ALA 20 N -3.06 0.02 -3.27 3.13 0.00 -1.11 -4.64 120.51 111.58 2k9x n ALA 20 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 2k9x n ALA 20 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.47 -3.64 -1.30 0.00 4.01 0.75 -4.93 118.16 112.59 2k9x n LYS 21 Ca -0.08 0.56 -0.31 0.00 -0.51 0.00 0.00 58.31 57.96 2k9x n LYS 21 Cb 0.60 -5.29 0.09 0.00 -0.51 0.00 0.00 35.03 29.92 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 -5.93 2.27 0.00 1.97 -1.52 -1.23 -4.91 119.66 110.31 2k9x s GLN 22 Ca 0.37 1.23 0.00 0.00 -1.95 0.00 0.00 55.36 55.01 2k9x s GLN 22 Cb -0.19 -1.89 0.00 0.00 -0.22 0.00 0.00 33.01 30.70 2k9x s GLN 22 CO 0.46 -1.64 0.00 0.25 -0.25 0.00 0.00 175.29 174.10 2k9x n THR 23 N -3.40 0.00 -4.08 -0.19 -2.24 -1.26 -4.40 114.28 98.70 2k9x n THR 23 Ca 0.09 0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 62.16 2k9x n THR 23 Cb 0.53 -1.37 -0.09 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.47 0.34 0.09 3.42 1.04 -1.26 -1.44 113.70 112.42 2k9x s SER 24 Ca 0.00 -1.05 -0.13 0.00 0.48 0.00 0.00 55.95 55.25 2k9x s SER 24 Cb 0.00 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2k9x s SER 24 CO 0.00 -0.70 0.31 -0.22 0.98 0.00 0.00 173.24 173.62 2k9x s LEU 25 N -2.98 0.84 0.02 2.42 2.96 0.96 -4.93 118.68 117.98 2k9x s LEU 25 Ca 0.15 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2k9x s LEU 25 Cb 0.07 1.47 -0.02 0.00 0.50 0.00 0.00 46.19 48.21 2k9x s LEU 25 CO -0.04 -0.75 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.04 2k9x s GLN 26 N -3.49 0.70 0.01 1.98 -0.21 -1.25 -1.15 119.66 116.24 2k9x s GLN 26 Ca 0.01 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 54.85 2k9x s GLN 26 Cb 0.02 -0.64 -0.01 0.00 1.00 0.00 0.00 33.01 33.38 2k9x s GLN 26 CO -0.09 0.16 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.60 2k9x s LEU 27 N -0.91 2.07 -0.45 2.90 1.43 -1.23 -4.88 118.68 117.62 2k9x s LEU 27 Ca -0.01 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 2k9x s LEU 27 Cb -0.07 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.58 2k9x s LEU 27 CO 0.00 0.10 1.25 -1.81 0.23 0.00 0.00 176.35 176.13 2k9x s ASP 28 N -0.58 6.52 0.06 2.29 1.01 -1.26 -1.89 116.67 122.82 2k9x s ASP 28 Ca 0.03 0.64 -0.31 0.00 0.71 0.00 0.00 52.55 53.62 2k9x s ASP 28 Cb -0.06 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 2k9x s ASP 28 CO 0.00 -1.32 1.58 -0.83 0.21 0.00 0.00 175.17 174.81 2k9x s GLY 29 N 3.06 1.64 0.10 0.21 0.00 -1.26 -4.87 107.32 106.20 2k9x s GLY 29 Ca 0.54 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.40 2k9x s GLY 29 CO 0.32 2.77 0.00 3.33 0.00 0.00 0.00 173.10 179.52 2k9x n VAL 30 N 4.63 0.58 -2.94 1.40 0.24 -1.26 -4.94 118.33 116.03 2k9x n VAL 30 Ca 0.15 0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.50 2k9x n VAL 30 Cb 0.41 -1.25 0.03 0.00 -1.47 0.00 0.00 33.84 31.55 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 -3.28 -0.14 1.38 3.34 0.24 -1.26 -4.97 118.33 113.65 2k9x n VAL 31 Ca 0.00 -2.80 0.11 0.00 -2.04 0.00 0.00 64.34 59.61 2k9x n VAL 31 Cb 0.12 0.52 0.66 0.00 -1.47 0.00 0.00 33.84 33.68 2k9x n VAL 31 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2k9x n PRO 32 N 0.64 0.67 -0.19 7.34 -0.02 -1.26 -3.65 135.00 138.54 2k9x n PRO 32 Ca 0.14 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2k9x n PRO 32 Cb 0.66 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 33.06 2k9x n PRO 32 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2k9x h THR 33 N 0.00 0.89 -0.67 3.45 2.02 -1.93 -0.27 112.91 116.40 2k9x h THR 33 Ca 0.00 -0.20 -0.34 0.00 0.77 0.00 0.00 66.41 66.64 2k9x h THR 33 Cb 0.02 0.25 -0.20 0.00 -1.74 0.00 0.00 68.15 66.48 2k9x h THR 33 CO 0.00 0.11 0.43 0.61 0.37 0.00 0.00 175.52 177.03 2k9x n GLY 34 N -1.48 3.64 3.19 2.16 0.00 -1.24 -4.89 105.19 106.57 2k9x n GLY 34 Ca 0.13 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.24 0.07 0.06 2.61 2.01 -0.11 -5.10 115.64 112.94 2k9x s THR 35 Ca 0.39 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2k9x s THR 35 Cb 0.32 -0.59 -0.00 0.00 0.01 0.00 0.00 72.50 72.24 2k9x s THR 35 CO 0.08 -0.32 0.06 -0.46 -0.69 0.00 0.00 174.62 173.28 2k9x n ASN 36 N 1.26 -0.15 -0.28 3.53 0.23 -1.26 -2.82 115.26 115.76 2k9x n ASN 36 Ca -0.22 -1.40 0.04 0.00 -0.53 0.00 0.00 54.58 52.47 2k9x n ASN 36 Cb 0.56 0.34 0.18 0.00 -2.08 0.00 0.00 39.78 38.78 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 0.60 -1.17 -4.53 6.46 -0.17 0.49 115.31 117.00 2k9x h LEU 37 Ca -0.04 0.06 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 2k9x h LEU 37 Cb 0.22 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.04 2k9x h LEU 37 CO 0.06 0.32 0.59 -1.13 -0.62 0.00 0.00 178.44 177.66 2k9x h ASN 38 N 0.71 0.82 0.46 1.25 -1.24 -1.72 0.46 115.58 116.32 2k9x h ASN 38 Ca 0.41 0.03 -0.16 0.00 0.71 0.00 0.00 56.30 57.29 2k9x h ASN 38 Cb 0.44 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 2k9x h ASN 38 CO -0.28 0.47 -0.67 1.23 -1.29 0.00 0.00 177.43 176.89 2k9x h GLY 39 N 0.90 0.21 0.67 1.57 0.00 -1.29 -2.20 103.07 102.94 2k9x h GLY 39 Ca 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2k9x h GLY 39 CO -0.19 0.25 -0.15 1.41 0.00 0.00 0.00 176.54 177.86 2k9x h LEU 40 N 0.13 -0.35 0.85 3.11 3.38 0.44 -1.93 115.31 120.94 2k9x h LEU 40 Ca -0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2k9x h LEU 40 Cb 1.20 0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2k9x h LEU 40 CO 0.10 0.00 -0.42 -0.37 0.09 0.00 0.00 178.44 177.85 2k9x h VAL 41 N -0.75 0.15 -0.97 1.22 -1.51 -1.18 -2.41 116.25 110.79 2k9x h VAL 41 Ca -0.04 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.71 2k9x h VAL 41 Cb 0.50 0.15 -0.04 0.00 -2.13 0.00 0.00 31.29 29.77 2k9x h VAL 41 CO 0.07 0.00 0.70 -0.61 -1.23 0.00 0.00 177.57 176.50 2k9x h GLN 42 N -1.15 0.00 -0.03 5.19 4.15 -1.50 0.38 115.11 122.16 2k9x h GLN 42 Ca -0.12 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.18 2k9x h GLN 42 Cb 0.89 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 2k9x h GLN 42 CO 0.19 0.00 -0.57 1.25 -1.93 0.00 0.00 178.83 177.77 2k9x h LEU 43 N 0.00 0.10 0.04 -2.39 6.46 -0.86 0.10 115.31 118.77 2k9x h LEU 43 Ca 0.46 -0.06 -0.38 0.00 -0.12 0.00 0.00 57.88 57.78 2k9x h LEU 43 Cb 1.86 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.71 2k9x h LEU 43 CO -0.01 0.65 -2.32 0.00 -0.62 0.00 0.00 178.44 176.15 2k9x n LEU 44 N -3.87 2.81 0.00 2.25 -0.00 0.90 -4.03 117.00 115.06 2k9x n LEU 44 Ca -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 2k9x n LEU 44 Cb 0.58 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2k9x n LEU 44 CO 0.42 0.88 0.00 2.29 -0.00 0.00 0.00 177.39 180.99 2k9x n LYS 45 N -3.40 0.00 0.20 1.47 2.85 0.97 -1.67 118.16 118.57 2k9x n LYS 45 Ca -0.42 0.29 0.18 0.00 -1.05 0.00 0.00 58.31 57.31 2k9x n LYS 45 Cb 0.99 -0.78 0.82 0.00 -0.65 0.00 0.00 35.03 35.42 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 0.35 0.01 0.58 2.02 -1.62 0.54 112.91 114.80 2k9x h THR 46 Ca 0.00 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.83 2k9x h THR 46 Cb 0.00 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 2k9x h THR 46 CO 0.00 0.00 -2.16 0.59 0.37 0.00 0.00 175.52 174.32 2k9x n ASN 47 N -3.62 0.59 -2.85 4.18 5.03 0.32 -4.76 115.26 114.15 2k9x n ASN 47 Ca 0.03 0.13 -0.11 0.00 0.87 0.00 0.00 54.58 55.49 2k9x n ASN 47 Cb 0.41 0.42 0.05 0.00 -1.02 0.00 0.00 39.78 39.64 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2k9x n TYR 48 N -2.94 -1.63 -3.12 3.10 4.01 -0.67 -4.98 117.16 110.93 2k9x n TYR 48 Ca -0.29 -2.64 -0.42 0.00 -0.16 0.00 0.00 57.90 54.39 2k9x n TYR 48 Cb 1.10 0.88 -0.07 0.00 -0.31 0.00 0.00 39.34 40.95 2k9x n TYR 48 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k9x s VAL 49 N -0.78 4.88 -0.61 -0.72 0.11 0.18 -4.54 120.40 118.92 2k9x s VAL 49 Ca 0.28 0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 59.76 2k9x s VAL 49 Cb 0.34 -4.10 0.21 0.00 -1.53 0.00 0.00 36.38 31.30 2k9x s VAL 49 CO -0.06 -0.37 2.39 0.29 -3.33 0.00 0.00 175.10 174.03 2k9x n LYS 50 N 6.07 2.52 -2.98 1.54 5.02 -0.64 -4.89 118.16 124.80 2k9x n LYS 50 Ca -0.02 -2.81 0.02 0.00 -2.02 0.00 0.00 58.31 53.48 2k9x n LYS 50 Cb 0.48 -2.17 0.01 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.18 0.07 -1.71 1.97 4.07 -1.26 -4.65 120.64 119.31 2k9x n GLU 51 Ca 0.51 -0.35 -0.43 0.00 -0.06 0.00 0.00 57.16 56.82 2k9x n GLU 51 Cb 0.44 0.61 -0.03 0.00 -0.06 0.00 0.00 31.44 32.40 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 -2.01 3.27 0.59 5.31 1.81 -1.26 -4.85 118.95 121.81 2k9x s ARG 52 Ca 0.16 1.93 0.30 0.00 -1.72 0.00 0.00 55.73 56.41 2k9x s ARG 52 Cb -0.00 -4.31 1.82 0.00 -0.45 0.00 0.00 34.95 32.01 2k9x s ARG 52 CO -0.01 -1.94 2.25 -1.00 -0.68 0.00 0.00 175.30 173.91 2k9x h PRO 53 N 14.14 0.00 -0.36 3.54 0.13 -1.97 -0.93 132.00 146.55 2k9x h PRO 53 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.97 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.51 2k9x n ASP 54 N -3.79 2.27 0.09 1.44 9.92 -1.26 -3.91 116.55 121.31 2k9x n ASP 54 Ca -0.03 -1.92 0.09 0.00 -0.53 0.00 0.00 54.79 52.40 2k9x n ASP 54 Cb 0.10 -0.24 -0.01 0.00 -0.64 0.00 0.00 41.12 40.33 2k9x n ASP 54 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2k9x h LEU 55 N 2.65 0.00 0.00 0.64 8.10 -1.55 -3.40 115.31 121.76 2k9x h LEU 55 Ca 0.00 0.00 -0.45 0.00 0.11 0.00 0.00 57.88 57.54 2k9x h LEU 55 Cb 0.60 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.75 2k9x h LEU 55 CO 0.00 0.13 -2.50 0.00 -4.11 0.00 0.00 178.44 171.96 2k9x n LEU 56 N -2.74 2.05 -4.59 0.17 -0.00 -1.25 -4.89 117.00 105.74 2k9x n LEU 56 Ca -0.02 0.27 -0.37 0.00 -0.00 0.00 0.00 56.01 55.89 2k9x n LEU 56 Cb 0.61 -0.81 0.06 0.00 -0.00 0.00 0.00 43.42 43.29 2k9x n LEU 56 CO 0.40 0.61 0.47 1.33 -0.00 0.00 0.00 177.39 180.21 2k9x n VAL 57 N -4.08 3.25 0.19 1.47 0.24 -1.25 0.15 118.33 118.30 2k9x n VAL 57 Ca -0.52 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.21 2k9x n VAL 57 Cb 0.89 -1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.13 -0.46 0.00 -1.34 3.58 -0.44 -3.36 116.42 114.54 2k9x h ASP 58 Ca -0.48 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2k9x h ASP 58 Cb 1.36 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.52 2k9x h ASP 58 CO 0.48 -0.03 0.00 1.67 -2.88 0.00 0.00 179.24 178.49 2k9x n GLN 59 N -5.15 0.00 -0.03 0.28 7.27 -1.26 -4.88 117.38 113.60 2k9x n GLN 59 Ca -0.09 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.03 2k9x n GLN 59 Cb 0.27 0.00 0.22 0.00 2.41 0.00 0.00 30.24 33.14 2k9x n GLN 59 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2k9x n THR 60 N -1.53 0.09 -1.96 1.69 5.66 -1.26 -4.87 114.28 112.10 2k9x n THR 60 Ca 0.00 -0.10 -0.20 0.00 -3.05 0.00 0.00 64.05 60.70 2k9x n THR 60 Cb 0.00 -0.02 -0.05 0.00 -1.55 0.00 0.00 70.33 68.71 2k9x n THR 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k9x n GLY 61 N 0.72 0.84 0.61 1.09 0.00 -1.26 -4.80 105.19 102.39 2k9x n GLY 61 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.64 0.13 -3.85 1.61 7.27 -1.26 -5.03 117.38 113.60 2k9x n GLN 62 Ca -0.22 0.05 -0.21 0.00 0.07 0.00 0.00 57.00 56.69 2k9x n GLN 62 Cb 0.67 -0.81 -0.03 0.00 2.41 0.00 0.00 30.24 32.48 2k9x n GLN 62 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2k9x s THR 63 N -2.11 3.80 0.13 1.69 -4.23 -1.26 -4.90 115.64 108.76 2k9x s THR 63 Ca -0.08 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2k9x s THR 63 Cb 0.03 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 2k9x s THR 63 CO 0.11 -0.21 0.29 -0.76 -0.54 0.00 0.00 174.62 173.50 2k9x s LEU 64 N -3.98 4.32 0.56 4.79 1.43 -1.26 0.21 118.68 124.76 2k9x s LEU 64 Ca 0.39 0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 53.57 2k9x s LEU 64 Cb -0.07 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 2k9x s LEU 64 CO 0.27 0.07 1.14 -2.11 0.23 0.00 0.00 176.35 175.95 2k9x n ARG 65 N -0.24 1.26 -0.26 1.70 -4.01 0.39 -4.37 116.66 111.12 2k9x n ARG 65 Ca -0.06 0.47 0.27 0.00 -1.04 0.00 0.00 57.85 57.50 2k9x n ARG 65 Cb 0.53 -2.33 0.64 0.00 -3.04 0.00 0.00 32.46 28.26 2k9x n ARG 65 CO 0.00 0.00 0.00 -1.35 -3.04 0.00 0.00 177.63 173.24 2k9x h PRO 66 N 0.97 0.17 -1.06 2.89 0.11 -1.96 -2.05 132.00 131.06 2k9x h PRO 66 Ca -0.49 -0.01 0.33 0.00 0.11 0.00 0.00 66.00 65.94 2k9x h PRO 66 Cb 1.34 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 2k9x h PRO 66 CO 0.54 0.11 0.63 0.78 -0.21 0.00 0.00 178.00 179.85 2k9x h GLY 67 N 0.17 1.82 -5.94 -0.55 0.00 -1.89 -3.38 103.07 93.30 2k9x h GLY 67 Ca 0.51 -0.22 -0.64 0.00 0.00 0.00 0.00 47.33 46.99 2k9x h GLY 67 CO -0.11 -0.41 -0.49 -0.42 0.00 0.00 0.00 176.54 175.11 2k9x s ILE 68 N -5.59 5.44 -0.51 2.60 1.01 -0.77 0.56 121.20 123.93 2k9x s ILE 68 Ca -0.09 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 2k9x s ILE 68 Cb 0.29 -3.42 0.11 0.00 0.01 0.00 0.00 42.46 39.45 2k9x s ILE 68 CO 0.80 0.53 0.46 -0.22 0.00 0.00 0.00 174.94 176.51 2k9x s LEU 69 N -0.36 5.97 -0.11 2.97 2.96 0.20 -4.85 118.68 125.46 2k9x s LEU 69 Ca 0.12 -1.62 -0.26 0.00 -0.22 0.00 0.00 54.13 52.15 2k9x s LEU 69 Cb -0.12 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2k9x s LEU 69 CO 0.01 -0.78 0.86 0.68 -1.32 0.00 0.00 176.35 175.80 2k9x s VAL 70 N 1.61 4.89 0.24 1.68 -7.23 -1.26 -3.39 120.40 116.96 2k9x s VAL 70 Ca 0.03 1.73 0.08 0.00 -1.81 0.00 0.00 61.98 62.01 2k9x s VAL 70 Cb -0.28 -4.18 -0.05 0.00 0.56 0.00 0.00 36.38 32.43 2k9x s VAL 70 CO 0.04 0.08 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.04 2k9x s LEU 71 N 1.70 2.53 -0.16 1.32 1.43 -1.16 -1.73 118.68 122.61 2k9x s LEU 71 Ca 0.42 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2k9x s LEU 71 Cb -0.18 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.41 2k9x s LEU 71 CO 0.17 -0.22 0.12 0.68 0.23 0.00 0.00 176.35 177.32 2k9x s VAL 72 N -2.95 -0.15 -1.20 -1.59 -7.23 0.30 -3.09 120.40 104.49 2k9x s VAL 72 Ca 0.26 -0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.33 2k9x s VAL 72 Cb 0.01 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 2k9x s VAL 72 CO 0.10 -0.20 0.84 0.59 -0.31 0.00 0.00 175.10 176.12 2k9x n ASN 73 N 5.29 -3.01 -2.45 4.85 3.02 -0.31 -1.75 115.26 120.90 2k9x n ASN 73 Ca -0.06 -0.77 -0.19 0.00 -0.03 0.00 0.00 54.58 53.53 2k9x n ASN 73 Cb 0.49 -4.51 -0.01 0.00 -0.61 0.00 0.00 39.78 35.14 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 -3.07 -5.56 -3.75 6.41 7.64 -1.26 -4.97 113.62 109.06 2k9x n SER 74 Ca -0.23 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.53 2k9x n SER 74 Cb 0.65 -4.63 -0.14 0.00 -1.01 0.00 0.00 64.21 59.08 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 4.13 1.27 0.31 0.00 8.00 -1.26 0.11 116.55 129.11 2k9x n ASP 76 Ca -0.25 1.13 0.19 0.00 0.71 0.00 0.00 54.79 56.57 2k9x n ASP 76 Cb 0.52 -1.10 1.01 0.00 -0.02 0.00 0.00 41.12 41.54 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 4.46 1.13 0.00 2.24 0.00 -1.61 -1.24 119.26 124.24 2k9x h ALA 77 Ca -0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2k9x h ALA 77 Cb 1.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2k9x h ALA 77 CO 0.77 0.02 -0.26 0.93 0.00 0.00 0.00 179.25 180.72 2k9x h GLU 78 N 0.00 0.00 -0.08 0.00 5.08 -1.79 0.36 114.58 118.15 2k9x h GLU 78 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2k9x h GLU 78 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2k9x h GLU 78 CO 0.00 0.26 -0.16 0.28 -1.00 0.00 0.00 179.01 178.39 2k9x h VAL 79 N 0.00 1.40 -0.31 3.13 2.07 -1.57 -3.27 116.25 117.70 2k9x h VAL 79 Ca -0.00 -1.44 -0.12 0.00 0.82 0.00 0.00 66.70 65.96 2k9x h VAL 79 Cb 0.82 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2k9x h VAL 79 CO 0.03 0.41 -0.26 -0.37 0.02 0.00 0.00 177.57 177.40 2k9x h VAL 80 N -0.22 1.30 0.00 2.57 -1.51 -1.61 -3.45 116.25 113.32 2k9x h VAL 80 Ca 0.00 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 2k9x h VAL 80 Cb 0.74 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2k9x h VAL 80 CO 0.03 0.46 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 2k9x n GLY 81 N 0.10 0.00 7.00 5.19 0.00 -0.94 -4.87 105.19 111.66 2k9x n GLY 81 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.90 1.38 -0.02 0.00 0.12 -0.09 105.19 107.49 2k9x n GLY 82 Ca 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 46.02 46.56 2k9x n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k9x n MET 83 N 0.00 2.36 -0.18 1.61 2.81 -1.26 -4.40 117.12 118.05 2k9x n MET 83 Ca 0.00 -3.08 0.09 0.00 -1.81 0.00 0.00 57.70 52.90 2k9x n MET 83 Cb 0.00 -1.93 0.13 0.00 -0.71 0.00 0.00 33.22 30.71 2k9x n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2k9x n ASP 84 N -0.89 2.05 -4.65 7.83 2.03 0.87 -2.14 116.55 121.65 2k9x n ASP 84 Ca 0.36 -3.07 -0.43 0.00 0.52 0.00 0.00 54.79 52.18 2k9x n ASP 84 Cb 1.16 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 41.11 2k9x n ASP 84 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2k9x s TYR 85 N -2.63 2.61 0.63 -0.67 5.04 -1.26 -4.68 117.35 116.40 2k9x s TYR 85 Ca 0.30 0.81 -0.11 0.00 -2.44 0.00 0.00 57.07 55.62 2k9x s TYR 85 Cb 0.27 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.88 2k9x s TYR 85 CO 0.01 -2.17 1.03 0.14 -1.34 0.00 0.00 175.55 173.22 2k9x s VAL 86 N 3.85 4.52 0.50 3.14 -7.23 -1.26 0.46 120.40 124.38 2k9x s VAL 86 Ca 0.59 0.86 0.06 0.00 -1.81 0.00 0.00 61.98 61.68 2k9x s VAL 86 Cb -0.23 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 32.98 2k9x s VAL 86 CO 0.19 -1.03 0.35 -0.76 -0.31 0.00 0.00 175.10 173.54 2k9x s LEU 87 N -5.16 2.87 0.22 1.32 1.02 -1.13 -4.90 118.68 112.92 2k9x s LEU 87 Ca 0.56 -1.15 0.00 0.00 0.02 0.00 0.00 54.13 53.56 2k9x s LEU 87 Cb -0.12 -1.36 0.00 0.00 0.02 0.00 0.00 46.19 44.73 2k9x s LEU 87 CO 0.52 -0.93 0.00 -3.20 0.02 0.00 0.00 176.35 172.76 2k9x n ASN 88 N -1.63 -1.96 -3.15 2.29 5.15 -1.26 -4.02 115.26 110.68 2k9x n ASN 88 Ca -0.01 0.59 0.06 0.00 -0.60 0.00 0.00 54.58 54.62 2k9x n ASN 88 Cb 0.64 2.04 -0.02 0.00 -0.53 0.00 0.00 39.78 41.91 2k9x n ASN 88 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k9x s ASP 89 N -1.78 -0.08 0.00 1.20 2.15 -1.26 -4.62 116.67 112.28 2k9x s ASP 89 Ca 0.00 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.02 2k9x s ASP 89 Cb 0.00 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 2k9x s ASP 89 CO 0.00 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 2k9x n GLY 90 N 5.41 1.58 3.78 2.66 0.00 -0.86 -4.91 105.19 112.84 2k9x n GLY 90 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 7.31 -0.27 1.61 -1.08 -1.26 -4.87 116.67 116.11 2k9x s ASP 91 Ca 0.00 1.89 -0.02 0.00 -0.52 0.00 0.00 52.55 53.90 2k9x s ASP 91 Cb 0.00 -2.59 0.09 0.00 -1.46 0.00 0.00 42.92 38.96 2k9x s ASP 91 CO 0.00 -0.09 0.08 -0.89 0.52 0.00 0.00 175.17 174.79 2k9x s THR 92 N -1.55 0.60 -0.12 1.71 2.01 -1.26 0.54 115.64 117.56 2k9x s THR 92 Ca 0.50 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 2k9x s THR 92 Cb -0.20 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2k9x s THR 92 CO 0.26 -0.54 -0.02 0.54 -0.69 0.00 0.00 174.62 174.17 2k9x s VAL 93 N 1.78 4.12 0.04 3.82 0.11 0.26 -1.17 120.40 129.37 2k9x s VAL 93 Ca 0.06 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2k9x s VAL 93 Cb -0.17 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 31.88 2k9x s VAL 93 CO -0.22 0.54 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.41 2k9x s GLU 94 N -0.21 0.52 -0.29 1.54 2.02 -1.18 -2.62 118.70 118.47 2k9x s GLU 94 Ca 0.05 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.28 2k9x s GLU 94 Cb -0.13 -0.24 0.08 0.00 0.10 0.00 0.00 34.13 33.94 2k9x s GLU 94 CO 0.02 0.04 0.01 -0.06 0.02 0.00 0.00 175.26 175.29 2k9x s PHE 95 N -1.50 2.80 -0.35 1.61 0.40 -1.18 -2.99 117.98 116.76 2k9x s PHE 95 Ca -0.10 -2.23 -0.04 0.00 -0.60 0.00 0.00 56.93 53.96 2k9x s PHE 95 Cb -0.09 -2.10 0.06 0.00 0.51 0.00 0.00 43.02 41.40 2k9x s PHE 95 CO -0.00 -0.87 0.11 0.42 0.70 0.00 0.00 175.22 175.58 2k9x s ILE 96 N 1.25 3.44 0.14 0.64 1.01 -1.22 -0.23 121.20 126.22 2k9x s ILE 96 Ca 0.03 -1.47 -0.27 0.00 0.00 0.00 0.00 60.65 58.94 2k9x s ILE 96 Cb -0.19 -3.07 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 2k9x s ILE 96 CO -0.11 -0.31 0.85 -0.55 0.00 0.00 0.00 174.94 174.82 2k9x s SER 97 N 1.53 7.42 0.09 3.58 0.15 -1.21 -0.63 113.70 124.64 2k9x s SER 97 Ca -0.00 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2k9x s SER 97 Cb -0.21 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2k9x s SER 97 CO -0.00 0.09 0.00 0.35 1.20 0.00 0.00 173.24 174.88 2k9x n THR 98 N 2.14 0.29 -2.58 6.45 -2.24 0.19 -4.42 114.28 114.11 2k9x n THR 98 Ca -0.02 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 2k9x n THR 98 Cb 0.49 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 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 -6.18 4.25 -0.37 3.22 2.96 -1.22 -5.00 118.68 116.34 2k9x s LEU 99 Ca 0.00 1.65 0.01 0.00 -0.22 0.00 0.00 54.13 55.56 2k9x s LEU 99 Cb 0.00 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.27 2k9x s LEU 99 CO 0.00 -0.52 0.22 -2.28 -1.32 0.00 0.00 176.35 172.45 2k9x s HIS 100 N 2.18 1.02 0.10 5.38 2.46 -1.26 -4.59 115.29 120.57 2k9x s HIS 100 Ca 0.51 -1.82 0.00 0.00 0.47 0.00 0.00 55.06 54.23 2k9x s HIS 100 Cb -0.21 -1.15 0.00 0.00 -0.13 0.00 0.00 32.58 31.10 2k9x s HIS 100 CO 0.19 -0.82 0.00 0.41 -2.47 0.00 0.00 174.74 172.05 2k9x n GLY 101 N 3.92 -1.40 0.58 1.59 0.00 -1.26 -5.25 105.19 103.37 2k9x n GLY 101 Ca 0.11 0.31 0.07 0.00 0.00 0.00 0.00 46.02 46.52 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93