#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 5.02 -0.13 7.83 1.04 -1.26 -5.05 113.70 121.15 2k9x s SER 2 Ca 0.00 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.14 2k9x s SER 2 Cb 0.00 -1.17 -0.06 0.00 0.10 0.00 0.00 66.02 64.88 2k9x s SER 2 CO 0.00 0.13 -0.15 0.59 0.98 0.00 0.00 173.24 174.79 2k9x n ASN 3 N 0.19 1.54 -0.78 7.02 4.13 -1.26 -5.14 115.26 120.96 2k9x n ASN 3 Ca -0.10 0.09 0.10 0.00 1.68 0.00 0.00 54.58 56.35 2k9x n ASN 3 Cb 0.53 -0.33 -0.04 0.00 -1.54 0.00 0.00 39.78 38.40 2k9x n ASN 3 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2k9x n HIS 4 N -3.37 -2.05 -3.99 3.10 8.25 -1.26 -4.93 115.22 110.97 2k9x n HIS 4 Ca -0.24 1.10 -0.35 0.00 -0.26 0.00 0.00 57.72 57.96 2k9x n HIS 4 Cb 0.70 -1.87 -0.06 0.00 1.12 0.00 0.00 29.99 29.88 2k9x n HIS 4 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k9x s ASN 5 N -6.05 6.12 -0.05 0.41 4.22 -1.26 -4.94 114.94 113.39 2k9x s ASN 5 Ca 0.00 0.34 -0.31 0.00 -2.14 0.00 0.00 52.86 50.75 2k9x s ASN 5 Cb 0.00 -1.90 0.13 0.00 1.28 0.00 0.00 41.25 40.76 2k9x s ASN 5 CO 0.00 0.34 1.35 -1.00 -2.04 0.00 0.00 177.10 175.75 2k9x s HIS 6 N -1.12 -0.02 0.12 1.54 3.76 -1.26 -4.99 115.29 113.31 2k9x s HIS 6 Ca 0.20 -0.04 0.07 0.00 -0.15 0.00 0.00 55.06 55.13 2k9x s HIS 6 Cb -0.12 0.53 -0.04 0.00 1.11 0.00 0.00 32.58 34.06 2k9x s HIS 6 CO 0.10 -0.18 -0.16 0.42 -0.85 0.00 0.00 174.74 174.07 2k9x s ILE 7 N -2.26 1.48 -0.50 0.60 -1.09 -0.83 0.08 121.20 118.67 2k9x s ILE 7 Ca 0.15 -1.64 -0.02 0.00 -2.23 0.00 0.00 60.65 56.91 2k9x s ILE 7 Cb 0.06 -1.52 0.13 0.00 -1.58 0.00 0.00 42.46 39.55 2k9x s ILE 7 CO -0.05 -0.28 0.30 -0.89 -1.23 0.00 0.00 174.94 172.79 2k9x s THR 8 N -1.74 3.37 -0.39 2.92 2.01 -1.19 -3.21 115.64 117.41 2k9x s THR 8 Ca 0.08 -2.54 -0.06 0.00 0.31 0.00 0.00 61.69 59.47 2k9x s THR 8 Cb -0.07 -3.27 0.08 0.00 0.01 0.00 0.00 72.50 69.25 2k9x s THR 8 CO 0.04 -0.77 0.20 0.54 -0.69 0.00 0.00 174.62 173.93 2k9x s VAL 9 N 0.52 3.78 0.24 3.82 0.11 0.07 -1.25 120.40 127.68 2k9x s VAL 9 Ca 0.13 -1.54 0.04 0.00 -2.93 0.00 0.00 61.98 57.68 2k9x s VAL 9 Cb -0.22 -3.34 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 2k9x s VAL 9 CO -0.04 -0.47 -0.01 0.00 -3.33 0.00 0.00 175.10 171.25 2k9x s GLN 10 N 1.33 1.36 0.29 1.54 0.00 -1.13 0.57 119.66 123.62 2k9x s GLN 10 Ca 0.03 -1.69 0.11 0.00 -0.00 0.00 0.00 55.36 53.81 2k9x s GLN 10 Cb -0.22 -0.70 -0.05 0.00 0.00 0.00 0.00 33.01 32.04 2k9x s GLN 10 CO 0.00 -0.07 -0.11 -0.06 0.00 0.00 0.00 175.29 175.05 2k9x s PHE 11 N -3.35 2.45 0.06 9.60 0.08 -0.79 -3.18 117.98 122.84 2k9x s PHE 11 Ca 0.28 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.85 2k9x s PHE 11 Cb 0.05 -1.16 0.03 0.00 -0.57 0.00 0.00 43.02 41.37 2k9x s PHE 11 CO 0.09 0.64 0.35 0.00 -0.10 0.00 0.00 175.22 176.20 2k9x s ALA 12 N -2.47 -0.80 0.00 5.36 0.00 -1.14 -4.81 121.76 117.89 2k9x s ALA 12 Ca 0.31 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2k9x s ALA 12 Cb -0.04 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2k9x s ALA 12 CO 0.17 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2k9x n GLY 13 N 0.43 1.43 0.95 0.00 0.00 -1.26 -2.73 105.19 104.01 2k9x n GLY 13 Ca -0.18 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 2.40 0.08 -0.02 0.00 -1.26 -4.79 105.19 101.60 2k9x n GLY 14 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 0.11 0.00 0.00 4.11 -1.84 0.01 114.58 116.96 2k9x h GLU 16 Ca -0.35 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2k9x h GLU 16 Cb 1.91 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2k9x h GLU 16 CO 0.04 0.07 0.00 1.28 0.07 0.00 0.00 179.01 180.47 2k9x n LEU 17 N -4.48 0.00 -0.36 3.06 4.32 -1.26 -0.49 117.00 117.78 2k9x n LEU 17 Ca 0.02 0.43 0.01 0.00 -0.02 0.00 0.00 56.01 56.46 2k9x n LEU 17 Cb 0.25 -0.43 0.05 0.00 -1.62 0.00 0.00 43.42 41.67 2k9x n LEU 17 CO 0.35 -0.25 0.47 0.18 -1.22 0.00 0.00 177.39 176.91 2k9x n LEU 18 N -1.43 0.93 0.07 2.23 4.77 -0.01 -4.44 117.00 119.13 2k9x n LEU 18 Ca 0.04 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2k9x n LEU 18 Cb 0.12 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2k9x n LEU 18 CO 0.10 0.19 0.00 0.33 -1.33 0.00 0.00 177.39 176.69 2k9x n PHE 19 N -0.10 -1.97 -2.46 -1.77 7.35 -1.08 -3.93 117.46 113.51 2k9x n PHE 19 Ca 0.04 0.37 -0.01 0.00 -0.76 0.00 0.00 57.45 57.09 2k9x n PHE 19 Cb 0.19 1.09 0.04 0.00 0.35 0.00 0.00 39.48 41.15 2k9x n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9x n ALA 20 N -2.88 -0.04 -3.57 3.13 0.00 -1.14 -4.76 120.51 111.25 2k9x n ALA 20 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.81 2k9x n ALA 20 Cb 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.52 -4.10 -2.03 0.00 4.01 0.35 -4.93 118.16 110.94 2k9x n LYS 21 Ca -0.07 0.54 -0.32 0.00 -0.51 0.00 0.00 58.31 57.95 2k9x n LYS 21 Cb 0.62 -5.32 0.01 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 -6.24 3.36 -0.01 1.97 -1.52 -1.23 -4.92 119.66 111.07 2k9x s GLN 22 Ca 0.50 1.13 -0.00 0.00 -1.95 0.00 0.00 55.36 55.03 2k9x s GLN 22 Cb -0.26 -2.04 -0.00 0.00 -0.22 0.00 0.00 33.01 30.49 2k9x s GLN 22 CO 0.62 -0.77 -0.01 0.25 -0.25 0.00 0.00 175.29 175.13 2k9x n THR 23 N -2.12 0.07 -3.90 -0.19 -2.24 -1.26 -4.49 114.28 100.14 2k9x n THR 23 Ca 0.08 0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 62.25 2k9x n THR 23 Cb 0.53 -1.54 -0.09 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.65 0.13 0.13 3.42 1.04 -1.26 -1.89 113.70 111.61 2k9x s SER 24 Ca -0.01 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 2k9x s SER 24 Cb 0.00 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2k9x s SER 24 CO 0.01 -0.51 0.09 -0.76 0.98 0.00 0.00 173.24 173.05 2k9x s LEU 25 N -2.05 1.66 -0.15 2.42 1.02 0.19 -4.94 118.68 116.83 2k9x s LEU 25 Ca -0.06 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 52.95 2k9x s LEU 25 Cb -0.02 0.44 0.03 0.00 0.02 0.00 0.00 46.19 46.66 2k9x s LEU 25 CO -0.04 -0.75 -0.12 -1.10 0.02 0.00 0.00 176.35 174.36 2k9x s GLN 26 N -4.03 2.06 -0.07 1.70 -0.21 -1.25 -0.75 119.66 117.10 2k9x s GLN 26 Ca 0.22 -0.52 -0.06 0.00 0.02 0.00 0.00 55.36 55.02 2k9x s GLN 26 Cb 0.07 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 2k9x s GLN 26 CO 0.01 -0.27 0.18 -0.51 -2.12 0.00 0.00 175.29 172.57 2k9x s LEU 27 N 1.53 4.39 -0.10 2.90 1.43 -1.20 -4.84 118.68 122.79 2k9x s LEU 27 Ca 0.04 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2k9x s LEU 27 Cb -0.13 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.80 2k9x s LEU 27 CO -0.10 0.35 -0.20 -0.62 0.23 0.00 0.00 176.35 176.02 2k9x s ASP 28 N -1.34 2.73 0.48 2.29 -1.08 -1.26 -1.97 116.67 116.51 2k9x s ASP 28 Ca 0.20 -0.50 0.06 0.00 -0.52 0.00 0.00 52.55 51.80 2k9x s ASP 28 Cb -0.12 -1.25 0.00 0.00 -1.46 0.00 0.00 42.92 40.09 2k9x s ASP 28 CO 0.10 0.09 0.34 -0.83 0.52 0.00 0.00 175.17 175.38 2k9x s GLY 29 N 0.64 2.31 -0.19 2.66 0.00 -1.26 -5.07 107.32 106.41 2k9x s GLY 29 Ca -0.13 -1.61 0.07 0.00 0.00 0.00 0.00 44.72 43.04 2k9x s GLY 29 CO 0.04 -1.87 -0.10 3.33 0.00 0.00 0.00 173.10 174.49 2k9x n VAL 30 N -1.57 1.19 -3.15 1.40 0.24 -1.26 -4.87 118.33 110.31 2k9x n VAL 30 Ca -0.00 -0.56 -0.18 0.00 -2.04 0.00 0.00 64.34 61.55 2k9x n VAL 30 Cb 0.64 -0.99 -0.06 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.93 -0.77 0.40 3.34 0.24 -1.26 -4.98 118.33 112.37 2k9x n VAL 31 Ca -0.34 -2.52 0.05 0.00 -2.04 0.00 0.00 64.34 59.49 2k9x n VAL 31 Cb 0.95 -0.66 0.24 0.00 -1.47 0.00 0.00 33.84 32.90 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 2.87 0.03 0.00 7.34 -0.02 -1.26 -3.55 135.00 140.41 2k9x n PRO 32 Ca 0.25 0.29 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 2k9x n PRO 32 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.29 -0.95 3.45 2.02 -1.94 -2.01 112.91 113.76 2k9x h THR 33 Ca 0.00 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.55 2k9x h THR 33 Cb 0.17 0.29 -0.28 0.00 -1.74 0.00 0.00 68.15 66.59 2k9x h THR 33 CO 0.00 0.00 0.81 0.61 0.37 0.00 0.00 175.52 177.31 2k9x n GLY 34 N -1.41 5.54 3.32 2.16 0.00 -1.23 -4.83 105.19 108.74 2k9x n GLY 34 Ca -0.03 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 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 -4.40 1.99 0.12 2.61 2.01 -0.76 -5.08 115.64 112.12 2k9x s THR 35 Ca 0.61 -1.43 0.02 0.00 0.31 0.00 0.00 61.69 61.19 2k9x s THR 35 Cb 0.48 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 2k9x s THR 35 CO 0.01 0.22 0.07 -0.46 -0.69 0.00 0.00 174.62 173.76 2k9x n ASN 36 N 1.53 0.41 -0.30 3.53 0.23 -1.26 -2.19 115.26 117.21 2k9x n ASN 36 Ca -0.17 -1.72 -0.00 0.00 -0.53 0.00 0.00 54.58 52.16 2k9x n ASN 36 Cb 0.53 0.44 0.13 0.00 -2.08 0.00 0.00 39.78 38.80 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 0.84 -1.33 -4.53 6.46 -0.48 0.13 115.31 116.39 2k9x h LEU 37 Ca -0.09 0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.78 2k9x h LEU 37 Cb 0.40 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.11 2k9x h LEU 37 CO 0.14 0.55 0.53 -1.13 -0.62 0.00 0.00 178.44 177.90 2k9x h ASN 38 N 0.98 0.68 0.72 1.25 -1.24 -1.81 0.57 115.58 116.73 2k9x h ASN 38 Ca 0.36 0.02 -0.25 0.00 0.71 0.00 0.00 56.30 57.13 2k9x h ASN 38 Cb 0.13 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 2k9x h ASN 38 CO -0.16 0.41 -1.16 1.23 -1.29 0.00 0.00 177.43 176.46 2k9x h GLY 39 N 0.75 0.23 0.73 1.57 0.00 -1.54 -3.07 103.07 101.75 2k9x h GLY 39 Ca 0.37 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k9x h GLY 39 CO -0.14 0.50 -0.03 -2.00 0.00 0.00 0.00 176.54 174.87 2k9x h LEU 40 N 0.06 -0.06 0.41 3.11 5.85 0.44 -2.42 115.31 122.70 2k9x h LEU 40 Ca -0.10 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2k9x h LEU 40 Cb 1.89 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.92 2k9x h LEU 40 CO 0.18 0.22 -0.35 -0.37 -0.34 0.00 0.00 178.44 177.78 2k9x h VAL 41 N -0.34 0.29 -1.06 1.05 -1.51 -1.06 -1.85 116.25 111.77 2k9x h VAL 41 Ca -0.01 0.00 0.29 0.00 -1.23 0.00 0.00 66.70 65.75 2k9x h VAL 41 Cb 0.31 0.29 -0.07 0.00 -2.13 0.00 0.00 31.29 29.69 2k9x h VAL 41 CO 0.01 0.00 0.72 -0.61 -1.23 0.00 0.00 177.57 176.47 2k9x h GLN 42 N -0.76 0.20 0.00 5.19 4.15 -1.57 0.68 115.11 122.99 2k9x h GLN 42 Ca -0.04 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 2k9x h GLN 42 Cb 0.66 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2k9x h GLN 42 CO -0.02 0.13 -0.42 1.25 -1.93 0.00 0.00 178.83 177.83 2k9x h LEU 43 N 0.20 0.00 0.03 -2.39 6.46 -0.82 -2.42 115.31 116.38 2k9x h LEU 43 Ca 0.55 0.00 -0.38 0.00 -0.12 0.00 0.00 57.88 57.94 2k9x h LEU 43 Cb 1.78 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.65 2k9x h LEU 43 CO -0.15 0.42 -2.30 0.00 -0.62 0.00 0.00 178.44 175.79 2k9x n LEU 44 N -3.67 2.46 0.00 2.25 -0.00 0.19 -4.02 117.00 114.22 2k9x n LEU 44 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2k9x n LEU 44 Cb 0.51 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 2k9x n LEU 44 CO 0.38 0.84 0.00 2.29 -0.00 0.00 0.00 177.39 180.90 2k9x n LYS 45 N -3.25 0.00 0.11 1.47 2.85 0.14 -0.11 118.16 119.37 2k9x n LYS 45 Ca -0.39 0.44 0.20 0.00 -1.05 0.00 0.00 58.31 57.51 2k9x n LYS 45 Cb 1.03 -0.94 0.74 0.00 -0.65 0.00 0.00 35.03 35.20 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 0.32 0.02 0.58 2.02 -1.62 0.58 112.91 114.81 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 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 2k9x h THR 46 CO 0.00 0.00 -2.32 -3.20 0.37 0.00 0.00 175.52 170.37 2k9x n ASN 47 N -3.60 1.53 -3.07 4.18 2.85 -1.16 -4.76 115.26 111.23 2k9x n ASN 47 Ca 0.07 -0.01 -0.16 0.00 -0.11 0.00 0.00 54.58 54.37 2k9x n ASN 47 Cb 0.63 -0.19 -0.01 0.00 1.24 0.00 0.00 39.78 41.46 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 -3.18 -0.08 -0.09 1.20 4.01 0.85 -4.91 117.16 114.95 2k9x n TYR 48 Ca -0.39 -3.49 -0.14 0.00 -0.16 0.00 0.00 57.90 53.72 2k9x n TYR 48 Cb 1.04 -0.16 -0.14 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.24 1.51 0.00 -0.72 3.14 0.19 -4.48 118.33 118.21 2k9x n VAL 49 Ca 0.21 -0.72 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 2k9x n VAL 49 Cb 0.69 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 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 -3.07 0.00 -2.01 1.45 4.76 -1.26 -4.02 118.16 114.00 2k9x n LYS 50 Ca -0.35 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 54.92 2k9x n LYS 50 Cb 1.07 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 34.35 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 0.02 -1.75 1.97 4.07 -1.25 -5.03 120.64 118.67 2k9x n GLU 51 Ca 0.00 -1.97 -0.41 0.00 -0.06 0.00 0.00 57.16 54.72 2k9x n GLU 51 Cb 0.00 -0.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.87 2k9x n GLU 51 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k9x n ARG 52 N -2.40 2.40 0.18 5.31 1.74 -1.26 -4.92 116.66 117.70 2k9x n ARG 52 Ca 0.12 0.84 0.12 0.00 -0.77 0.00 0.00 57.85 58.17 2k9x n ARG 52 Cb 0.43 -2.56 0.20 0.00 -1.02 0.00 0.00 32.46 29.51 2k9x n ARG 52 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2k9x h PRO 53 N 2.63 0.00 -0.18 5.56 0.13 -1.96 -3.27 132.00 134.92 2k9x h PRO 53 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k9x h PRO 53 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k9x h PRO 53 CO 0.63 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 2k9x n ASP 54 N -2.84 1.24 0.07 1.44 8.00 -1.26 -3.66 116.55 119.54 2k9x n ASP 54 Ca 0.04 -1.79 0.07 0.00 0.71 0.00 0.00 54.79 53.82 2k9x n ASP 54 Cb 0.51 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.09 0.81 -0.13 0.64 -0.00 -1.23 -4.47 117.00 112.70 2k9x n LEU 55 Ca 0.12 0.33 -0.26 0.00 -0.00 0.00 0.00 56.01 56.20 2k9x n LEU 55 Cb 0.23 -0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.55 2k9x n LEU 55 CO 0.09 -0.06 -1.40 0.00 -0.00 0.00 0.00 177.39 176.03 2k9x n LEU 56 N -2.73 2.17 -4.60 1.47 -0.00 -1.25 -4.91 117.00 107.15 2k9x n LEU 56 Ca -0.04 0.21 -0.37 0.00 -0.00 0.00 0.00 56.01 55.81 2k9x n LEU 56 Cb 0.66 -0.81 0.06 0.00 -0.00 0.00 0.00 43.42 43.33 2k9x n LEU 56 CO 0.41 0.65 0.50 1.33 -0.00 0.00 0.00 177.39 180.29 2k9x n VAL 57 N -3.95 3.45 0.24 1.47 0.24 -1.24 0.12 118.33 118.66 2k9x n VAL 57 Ca -0.51 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.18 2k9x n VAL 57 Cb 0.90 -1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 32.09 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 0.22 -0.54 0.00 -1.34 3.58 -0.40 -3.35 116.42 114.59 2k9x h ASP 58 Ca -0.48 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.89 2k9x h ASP 58 Cb 1.36 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2k9x h ASP 58 CO 0.49 -0.19 0.00 1.67 -2.88 0.00 0.00 179.24 178.33 2k9x n GLN 59 N -5.26 0.00 -0.07 0.28 7.27 -1.26 -4.85 117.38 113.49 2k9x n GLN 59 Ca -0.11 0.00 0.02 0.00 0.07 0.00 0.00 57.00 56.99 2k9x n GLN 59 Cb 0.31 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.02 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 -1.42 0.17 -1.85 1.69 5.66 -1.26 -4.87 114.28 112.41 2k9x n THR 60 Ca 0.00 -0.17 -0.18 0.00 -3.05 0.00 0.00 64.05 60.65 2k9x n THR 60 Cb 0.00 0.08 -0.05 0.00 -1.55 0.00 0.00 70.33 68.81 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 0.71 0.92 0.32 1.09 0.00 -1.26 -4.79 105.19 102.17 2k9x n GLY 61 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.46 0.29 -4.25 1.61 7.27 -1.26 -5.03 117.38 113.54 2k9x n GLN 62 Ca -0.19 0.09 -0.25 0.00 0.07 0.00 0.00 57.00 56.72 2k9x n GLN 62 Cb 0.62 -1.11 -0.08 0.00 2.41 0.00 0.00 30.24 32.08 2k9x n GLN 62 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2k9x s THR 63 N -2.24 2.41 0.19 1.69 -1.32 -1.26 -4.68 115.64 110.43 2k9x s THR 63 Ca -0.17 -1.81 -0.01 0.00 -1.21 0.00 0.00 61.69 58.49 2k9x s THR 63 Cb 0.05 -2.94 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 2k9x s THR 63 CO 0.25 -0.07 0.39 -0.76 -2.21 0.00 0.00 174.62 172.22 2k9x s LEU 64 N -3.82 4.23 0.79 9.08 1.43 -1.26 0.23 118.68 129.36 2k9x s LEU 64 Ca 0.38 0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 2k9x s LEU 64 Cb 0.03 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 43.10 2k9x s LEU 64 CO 0.21 -0.02 0.96 -2.11 0.23 0.00 0.00 176.35 175.62 2k9x n ARG 65 N -0.50 0.21 -0.12 1.70 -4.01 0.32 -4.28 116.66 109.98 2k9x n ARG 65 Ca -0.04 0.14 0.02 0.00 -1.04 0.00 0.00 57.85 56.93 2k9x n ARG 65 Cb 0.53 -2.24 0.32 0.00 -3.04 0.00 0.00 32.46 28.04 2k9x n ARG 65 CO 0.00 0.00 0.00 -1.00 -3.04 0.00 0.00 177.63 173.59 2k9x h PRO 66 N -0.77 0.79 -1.14 2.89 0.13 -1.93 -2.83 132.00 129.14 2k9x h PRO 66 Ca -0.46 -0.05 0.34 0.00 -0.87 0.00 0.00 66.00 64.96 2k9x h PRO 66 Cb 1.31 -0.18 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 2k9x h PRO 66 CO 0.44 0.52 0.73 0.78 -0.23 0.00 0.00 178.00 180.24 2k9x h GLY 67 N 0.82 1.36 -5.64 1.56 0.00 -1.91 -3.39 103.07 95.86 2k9x h GLY 67 Ca 0.22 -0.17 -0.66 0.00 0.00 0.00 0.00 47.33 46.72 2k9x h GLY 67 CO -0.05 -0.28 -0.52 -0.42 0.00 0.00 0.00 176.54 175.26 2k9x s ILE 68 N -5.44 5.14 -0.35 2.60 1.01 -1.07 0.26 121.20 123.35 2k9x s ILE 68 Ca -0.08 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 2k9x s ILE 68 Cb 0.28 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.53 2k9x s ILE 68 CO 0.81 0.59 0.17 -0.76 0.00 0.00 0.00 174.94 175.74 2k9x s LEU 69 N -0.76 4.50 -0.11 2.97 1.43 0.09 -4.82 118.68 121.98 2k9x s LEU 69 Ca 0.13 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 2k9x s LEU 69 Cb -0.12 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2k9x s LEU 69 CO 0.03 -0.34 0.97 0.68 0.23 0.00 0.00 176.35 177.92 2k9x s VAL 70 N 1.53 4.81 -0.11 -1.59 -7.23 -1.26 -3.39 120.40 113.16 2k9x s VAL 70 Ca 0.02 1.98 0.02 0.00 -1.81 0.00 0.00 61.98 62.19 2k9x s VAL 70 Cb -0.19 -4.28 0.01 0.00 0.56 0.00 0.00 36.38 32.48 2k9x s VAL 70 CO 0.06 0.02 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.93 2k9x s LEU 71 N 1.93 1.85 -0.47 1.32 1.43 -1.20 -2.02 118.68 121.53 2k9x s LEU 71 Ca 0.47 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2k9x s LEU 71 Cb -0.18 -1.18 0.10 0.00 0.03 0.00 0.00 46.19 44.96 2k9x s LEU 71 CO 0.18 0.06 0.35 -0.69 0.23 0.00 0.00 176.35 176.47 2k9x s VAL 72 N 0.79 4.46 -1.16 -1.59 1.01 0.23 -2.88 120.40 121.27 2k9x s VAL 72 Ca -0.10 -1.56 -0.06 0.00 0.00 0.00 0.00 61.98 60.26 2k9x s VAL 72 Cb -0.16 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2k9x s VAL 72 CO 0.01 -0.69 0.86 -3.20 0.00 0.00 0.00 175.10 172.08 2k9x n ASN 73 N 4.99 -4.21 -3.45 3.32 2.85 -1.11 -2.60 115.26 115.06 2k9x n ASN 73 Ca -0.10 -0.78 -0.22 0.00 -0.11 0.00 0.00 54.58 53.37 2k9x n ASN 73 Cb 0.42 -4.57 0.08 0.00 1.24 0.00 0.00 39.78 36.94 2k9x n ASN 73 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2k9x n SER 74 N -3.06 -5.62 -3.62 1.20 7.64 -1.26 -5.00 113.62 103.89 2k9x n SER 74 Ca -0.17 -0.53 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 2k9x n SER 74 Cb 0.64 -4.85 -0.04 0.00 -1.01 0.00 0.00 64.21 58.94 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 5.45 1.78 0.20 0.00 8.00 -1.26 0.77 116.55 131.49 2k9x n ASP 76 Ca -0.11 1.11 0.05 0.00 0.71 0.00 0.00 54.79 56.54 2k9x n ASP 76 Cb 0.49 -1.15 0.41 0.00 -0.02 0.00 0.00 41.12 40.85 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 5.32 1.30 0.00 2.24 0.00 -1.74 -2.69 119.26 123.69 2k9x h ALA 77 Ca -0.47 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.08 2k9x h ALA 77 Cb 1.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k9x h ALA 77 CO 0.83 0.42 -0.26 1.05 0.00 0.00 0.00 179.25 181.29 2k9x h GLU 78 N 0.00 0.00 -0.18 0.00 4.11 -1.81 0.58 114.58 117.28 2k9x h GLU 78 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 2k9x h GLU 78 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2k9x h GLU 78 CO 0.04 0.26 0.13 0.28 0.07 0.00 0.00 179.01 179.79 2k9x h VAL 79 N 0.00 0.95 0.00 -1.06 2.07 -1.85 -3.22 116.25 113.14 2k9x h VAL 79 Ca -0.00 -0.02 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 2k9x h VAL 79 Cb 0.70 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2k9x h VAL 79 CO 0.03 0.01 -1.67 1.33 0.02 0.00 0.00 177.57 177.29 2k9x n VAL 80 N -4.50 0.68 0.15 2.57 0.24 -1.05 -5.02 118.33 111.40 2k9x n VAL 80 Ca 0.01 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2k9x n VAL 80 Cb 0.21 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 2k9x n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k9x n GLY 81 N 2.79 -0.95 0.00 7.63 0.00 0.87 -5.05 105.19 110.48 2k9x n GLY 81 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.22 2.57 0.66 -0.02 0.00 0.17 -4.62 105.19 104.17 2k9x n GLY 82 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 0.39 -0.87 1.61 0.00 -1.26 -4.60 117.12 112.39 2k9x n MET 83 Ca 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 57.70 55.98 2k9x n MET 83 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 33.22 32.57 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 -0.26 0.59 -4.65 3.17 2.03 -1.26 -2.99 116.55 113.18 2k9x n ASP 84 Ca 0.06 -2.14 -0.43 0.00 0.52 0.00 0.00 54.79 52.80 2k9x n ASP 84 Cb 0.79 -0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.30 2.35 1.05 -0.67 5.04 -1.26 -4.57 117.35 118.99 2k9x s TYR 85 Ca 0.17 0.59 -0.12 0.00 -2.44 0.00 0.00 57.07 55.27 2k9x s TYR 85 Cb 0.18 -3.78 0.22 0.00 0.35 0.00 0.00 41.96 38.93 2k9x s TYR 85 CO -0.07 -2.79 1.07 0.14 -1.34 0.00 0.00 175.55 172.57 2k9x s VAL 86 N 4.07 2.13 0.17 3.14 -7.23 -1.26 0.18 120.40 121.60 2k9x s VAL 86 Ca 0.65 0.04 0.10 0.00 -1.81 0.00 0.00 61.98 60.96 2k9x s VAL 86 Cb -0.27 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2k9x s VAL 86 CO 0.24 -0.06 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.05 2k9x s LEU 87 N -6.88 2.76 -0.10 1.32 1.02 -0.93 -4.79 118.68 111.09 2k9x s LEU 87 Ca 0.67 -0.66 0.07 0.00 0.02 0.00 0.00 54.13 54.23 2k9x s LEU 87 Cb -0.23 -1.49 0.17 0.00 0.02 0.00 0.00 46.19 44.66 2k9x s LEU 87 CO 0.61 0.12 1.16 0.59 0.02 0.00 0.00 176.35 178.85 2k9x n ASN 88 N 0.24 -0.77 -2.01 2.29 4.13 -1.26 -4.63 115.26 113.25 2k9x n ASN 88 Ca -0.12 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.08 2k9x n ASN 88 Cb 0.55 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 39.08 2k9x n ASN 88 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2k9x n ASP 89 N -0.35 -7.88 0.00 6.41 8.00 -1.26 -4.88 116.55 116.58 2k9x n ASP 89 Ca -0.20 1.41 0.00 0.00 0.71 0.00 0.00 54.79 56.71 2k9x n ASP 89 Cb 0.80 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 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 1.44 1.84 3.55 0.44 0.00 0.11 -4.83 105.19 107.74 2k9x n GLY 90 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 6.42 -0.00 1.61 2.15 -1.26 -4.89 116.67 118.69 2k9x s ASP 91 Ca 0.00 -0.01 -0.28 0.00 0.43 0.00 0.00 52.55 52.69 2k9x s ASP 91 Cb 0.00 -2.35 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 2k9x s ASP 91 CO 0.00 -0.75 0.90 -0.89 -0.17 0.00 0.00 175.17 174.26 2k9x s THR 92 N 2.96 4.87 -0.03 1.71 2.01 -1.26 -3.18 115.64 122.72 2k9x s THR 92 Ca 0.27 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 64.16 2k9x s THR 92 Cb -0.13 -4.25 0.03 0.00 0.01 0.00 0.00 72.50 68.16 2k9x s THR 92 CO 0.18 0.20 0.03 0.54 -0.69 0.00 0.00 174.62 174.89 2k9x s VAL 93 N 0.83 -0.02 0.10 3.82 0.11 -0.38 -2.75 120.40 122.10 2k9x s VAL 93 Ca 0.48 0.26 0.07 0.00 -2.93 0.00 0.00 61.98 59.86 2k9x s VAL 93 Cb -0.20 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2k9x s VAL 93 CO 0.26 0.13 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.36 2k9x s GLU 94 N 1.42 1.05 -0.30 1.54 2.02 -1.14 -2.82 118.70 120.47 2k9x s GLU 94 Ca -0.05 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 53.84 2k9x s GLU 94 Cb -0.13 -1.21 0.08 0.00 0.10 0.00 0.00 34.13 32.97 2k9x s GLU 94 CO -0.03 0.27 -0.03 -0.06 0.02 0.00 0.00 175.26 175.44 2k9x s PHE 95 N -1.33 3.43 -0.33 1.61 0.08 -1.19 -3.23 117.98 117.02 2k9x s PHE 95 Ca 0.05 -2.61 -0.04 0.00 0.12 0.00 0.00 56.93 54.45 2k9x s PHE 95 Cb -0.09 -2.38 0.05 0.00 -0.57 0.00 0.00 43.02 40.02 2k9x s PHE 95 CO 0.04 -0.91 0.06 0.42 -0.10 0.00 0.00 175.22 174.73 2k9x s ILE 96 N 1.03 3.41 0.48 0.64 1.01 -1.22 -2.91 121.20 123.64 2k9x s ILE 96 Ca 0.01 -1.29 -0.20 0.00 0.00 0.00 0.00 60.65 59.18 2k9x s ILE 96 Cb -0.19 -2.96 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 2k9x s ILE 96 CO -0.07 -0.17 1.00 -0.94 0.00 0.00 0.00 174.94 174.76 2k9x s SER 97 N 1.37 6.54 0.25 3.58 1.04 -1.26 -0.74 113.70 124.48 2k9x s SER 97 Ca -0.03 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2k9x s SER 97 Cb -0.20 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2k9x s SER 97 CO 0.01 -0.64 0.00 0.35 0.98 0.00 0.00 173.24 173.94 2k9x n THR 98 N -1.02 0.00 -3.09 2.02 -2.24 0.14 -4.66 114.28 105.43 2k9x n THR 98 Ca 0.08 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 2k9x n THR 98 Cb 0.53 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 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 -6.24 4.13 0.49 3.22 0.20 -1.15 -5.05 118.68 114.28 2k9x s LEU 99 Ca 0.00 0.48 0.02 0.00 0.69 0.00 0.00 54.13 55.32 2k9x s LEU 99 Cb 0.00 -2.85 -0.01 0.00 -0.43 0.00 0.00 46.19 42.90 2k9x s LEU 99 CO 0.00 -0.49 0.06 -1.38 -0.29 0.00 0.00 176.35 174.25 2k9x s HIS 100 N 2.64 1.77 0.00 5.38 -3.43 -1.26 -3.80 115.29 116.59 2k9x s HIS 100 Ca 0.26 -1.14 0.00 0.00 -0.80 0.00 0.00 55.06 53.38 2k9x s HIS 100 Cb -0.15 -1.40 0.00 0.00 -1.43 0.00 0.00 32.58 29.60 2k9x s HIS 100 CO 0.12 -0.03 0.00 0.41 -2.00 0.00 0.00 174.74 173.24 2k9x n GLY 101 N -1.17 2.85 3.19 -1.38 0.00 -1.26 -5.12 105.19 102.30 2k9x n GLY 101 Ca -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93