#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqi n SER -5 N 0.00 3.78 -4.05 1.61 2.88 -1.26 -4.97 113.62 111.61 2cqi n SER -5 Ca 0.00 0.99 -0.32 0.00 -1.33 0.00 0.00 58.87 58.21 2cqi n SER -5 Cb 0.00 -1.49 -0.16 0.00 -0.75 0.00 0.00 64.21 61.82 2cqi n SER -5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqi s SER -4 N 2.95 3.49 -0.24 -3.46 0.15 -1.26 -5.08 113.70 110.26 2cqi s SER -4 Ca 0.85 -0.90 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 2cqi s SER -4 Cb -0.55 -1.37 0.09 0.00 -1.71 0.00 0.00 66.02 62.47 2cqi s SER -4 CO 0.41 -0.10 0.13 -0.83 1.20 0.00 0.00 173.24 174.05 2cqi s GLY -3 N 1.31 0.36 -0.05 9.45 0.00 -1.26 -5.03 107.32 112.09 2cqi s GLY -3 Ca -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 2cqi s GLY -3 CO -0.09 1.98 0.28 1.76 0.00 0.00 0.00 173.10 177.03 2cqi h SER -2 N 8.40 -0.16 -3.22 1.64 0.02 -2.05 -3.42 113.55 114.75 2cqi h SER -2 Ca -0.17 0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.18 2cqi h SER -2 Cb 1.08 0.04 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 2cqi h SER -2 CO 0.36 0.15 0.62 -0.44 -1.14 0.00 0.00 176.83 176.39 2cqi s SER -1 N -4.42 6.36 0.00 3.07 0.01 -1.26 -4.90 113.70 112.57 2cqi s SER -1 Ca -0.03 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2cqi s SER -1 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2cqi s SER -1 CO 0.08 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.09 2cqi n GLY 0 N 5.10 4.50 2.76 3.44 0.00 -1.26 -5.02 105.19 114.72 2cqi n GLY 0 Ca 0.03 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 2cqi n GLY 0 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cqi n MET 1 N -1.69 4.52 -1.80 1.61 0.00 -1.26 -4.85 117.12 113.65 2cqi n MET 1 Ca 0.00 -4.69 -0.35 0.00 -0.00 0.00 0.00 57.70 52.65 2cqi n MET 1 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 33.22 30.81 2cqi n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cqi n MET 2 N 0.26 2.78 -1.43 2.12 -0.00 -1.26 -4.65 117.12 114.94 2cqi n MET 2 Ca 0.38 -3.14 -0.34 0.00 -0.00 0.00 0.00 57.70 54.59 2cqi n MET 2 Cb 0.32 -2.24 0.07 0.00 -0.00 0.00 0.00 33.22 31.37 2cqi n MET 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2cqi n GLU 3 N 0.05 2.78 -2.15 3.17 -0.58 -1.26 -4.99 120.64 117.64 2cqi n GLU 3 Ca 0.52 -3.38 -0.42 0.00 -0.42 0.00 0.00 57.16 53.45 2cqi n GLU 3 Cb 0.35 -2.29 -0.03 0.00 -0.57 0.00 0.00 31.44 28.90 2cqi n GLU 3 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2cqi s ASP 4 N -1.94 6.80 0.01 1.62 1.47 -1.26 -4.94 116.67 118.42 2cqi s ASP 4 Ca 0.63 2.24 -0.25 0.00 1.18 0.00 0.00 52.55 56.35 2cqi s ASP 4 Cb 0.50 -2.57 -0.17 0.00 -0.34 0.00 0.00 42.92 40.34 2cqi s ASP 4 CO -0.03 -0.73 1.27 -0.78 0.68 0.00 0.00 175.17 175.58 2cqi h ASP 5 N 7.64 -0.30 0.00 2.11 1.82 -2.02 -3.47 116.42 122.21 2cqi h ASP 5 Ca -0.40 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.04 2cqi h ASP 5 Cb 1.19 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.28 2cqi h ASP 5 CO 0.90 0.06 0.00 0.61 -1.61 0.00 0.00 179.24 179.20 2cqi n GLY 6 N -0.31 -0.80 2.59 -0.78 0.00 -1.26 -5.11 105.19 99.53 2cqi n GLY 6 Ca -0.09 0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2cqi n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqi n GLN 7 N 0.00 0.00 -2.23 1.61 10.64 -1.26 -4.82 117.38 121.32 2cqi n GLN 7 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 2cqi n GLN 7 Cb 0.00 -1.09 -0.03 0.00 -0.86 0.00 0.00 30.24 28.26 2cqi n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2cqi s PRO 8 N 0.57 4.41 0.00 2.61 0.04 -1.26 -4.91 135.00 136.47 2cqi s PRO 8 Ca 0.69 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2cqi s PRO 8 Cb -0.97 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2cqi s PRO 8 CO 0.46 -0.19 0.76 0.54 0.04 0.00 0.00 177.00 178.60 2cqi n ARG 9 N 2.23 1.59 -5.17 4.56 1.74 -1.26 -4.52 116.66 115.84 2cqi n ARG 9 Ca 0.04 -1.03 -0.32 0.00 -0.77 0.00 0.00 57.85 55.78 2cqi n ARG 9 Cb 0.43 -0.79 -0.15 0.00 -1.02 0.00 0.00 32.46 30.92 2cqi n ARG 9 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cqi s THR 10 N -0.55 2.35 0.03 0.55 2.01 -1.26 -0.42 115.64 118.35 2cqi s THR 10 Ca 0.00 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.08 2cqi s THR 10 Cb 0.00 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 2cqi s THR 10 CO 0.00 0.58 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.57 2cqi s LEU 11 N -0.44 2.13 -0.25 4.42 1.43 -0.09 -1.54 118.68 124.35 2cqi s LEU 11 Ca 0.05 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 2cqi s LEU 11 Cb -0.12 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2cqi s LEU 11 CO 0.01 0.13 0.15 -0.47 0.23 0.00 0.00 176.35 176.40 2cqi s TYR 12 N -0.70 3.25 -0.26 0.29 6.14 0.51 -1.12 117.35 125.45 2cqi s TYR 12 Ca 0.05 0.09 -0.07 0.00 0.64 0.00 0.00 57.07 57.78 2cqi s TYR 12 Cb -0.08 -2.29 -0.02 0.00 0.42 0.00 0.00 41.96 39.99 2cqi s TYR 12 CO 0.01 -0.06 0.08 0.08 0.64 0.00 0.00 175.55 176.30 2cqi s VAL 13 N 1.32 4.30 0.34 3.14 1.01 0.70 -1.87 120.40 129.34 2cqi s VAL 13 Ca 0.07 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2cqi s VAL 13 Cb -0.14 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 2cqi s VAL 13 CO 0.06 0.30 0.01 -0.83 0.00 0.00 0.00 175.10 174.65 2cqi s GLY 14 N 1.61 2.13 -0.59 4.51 0.00 0.37 -0.61 107.32 114.75 2cqi s GLY 14 Ca 0.06 -2.09 -0.04 0.00 0.00 0.00 0.00 44.72 42.65 2cqi s GLY 14 CO 0.04 -1.90 0.50 -2.01 0.00 0.00 0.00 173.10 169.73 2cqi n ASN 15 N -0.74 -3.88 -4.85 1.64 5.15 -1.19 -0.38 115.26 111.01 2cqi n ASN 15 Ca -0.04 -0.23 -0.37 0.00 -0.60 0.00 0.00 54.58 53.34 2cqi n ASN 15 Cb 0.66 -2.45 -0.06 0.00 -0.53 0.00 0.00 39.78 37.40 2cqi n ASN 15 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2cqi s LEU 16 N -3.70 4.44 0.46 1.20 1.43 -1.22 -4.15 118.68 117.14 2cqi s LEU 16 Ca 0.25 0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 53.98 2cqi s LEU 16 Cb -0.11 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 2cqi s LEU 16 CO 0.31 0.30 1.16 -0.55 0.23 0.00 0.00 176.35 177.80 2cqi s SER 17 N -1.24 6.19 0.67 2.29 0.15 -1.26 -4.02 113.70 116.48 2cqi s SER 17 Ca 0.25 2.29 0.25 0.00 0.70 0.00 0.00 55.95 59.44 2cqi s SER 17 Cb -0.15 -2.60 1.35 0.00 -1.71 0.00 0.00 66.02 62.91 2cqi s SER 17 CO 0.13 -0.90 1.76 0.03 1.20 0.00 0.00 173.24 175.46 2cqi h ARG 18 N 2.05 0.00 0.17 5.44 3.08 -1.99 0.44 114.38 123.58 2cqi h ARG 18 Ca -0.49 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.26 2cqi h ARG 18 Cb 1.25 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.31 2cqi h ARG 18 CO 0.60 0.00 -1.33 -0.44 -1.07 0.00 0.00 179.97 177.74 2cqi h ASP 19 N 0.00 0.62 -2.03 7.04 3.32 -2.00 -3.46 116.42 119.90 2cqi h ASP 19 Ca 0.00 -0.65 -0.63 0.00 0.02 0.00 0.00 57.03 55.77 2cqi h ASP 19 Cb 0.89 -0.20 0.10 0.00 0.22 0.00 0.00 39.33 40.34 2cqi h ASP 19 CO 0.00 1.50 0.09 0.52 -1.72 0.00 0.00 179.24 179.64 2cqi n VAL 20 N -3.62 1.52 -4.42 -1.35 0.31 0.16 -4.99 118.33 105.93 2cqi n VAL 20 Ca -0.12 -0.38 -0.21 0.00 -0.01 0.00 0.00 64.34 63.62 2cqi n VAL 20 Cb 1.05 -0.78 -0.10 0.00 -0.91 0.00 0.00 33.84 33.09 2cqi n VAL 20 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2cqi s THR 21 N -0.69 1.59 0.18 2.52 -4.23 -1.26 -4.92 115.64 108.83 2cqi s THR 21 Ca 0.66 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.93 2cqi s THR 21 Cb -0.80 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 70.66 2cqi s THR 21 CO 0.56 -0.29 1.83 -0.08 -0.54 0.00 0.00 174.62 176.11 2cqi h GLU 22 N 2.28 0.68 -0.55 3.99 4.22 -1.96 -2.08 114.58 121.15 2cqi h GLU 22 Ca -0.40 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 58.95 2cqi h GLU 22 Cb 1.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2cqi h GLU 22 CO 0.67 0.45 0.13 0.28 -2.18 0.00 0.00 179.01 178.36 2cqi h VAL 23 N 0.70 1.23 0.10 0.32 2.07 -1.96 -2.36 116.25 116.35 2cqi h VAL 23 Ca 0.22 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2cqi h VAL 23 Cb -0.00 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2cqi h VAL 23 CO -0.09 0.31 -0.05 0.25 0.02 0.00 0.00 177.57 178.01 2cqi h LEU 24 N 0.82 -0.12 -0.30 2.57 6.46 -1.81 -1.23 115.31 121.71 2cqi h LEU 24 Ca 0.18 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 2cqi h LEU 24 Cb 0.31 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2cqi h LEU 24 CO -0.00 -0.05 0.12 0.40 -0.62 0.00 0.00 178.44 178.29 2cqi h ILE 25 N -0.17 0.94 -0.19 4.05 1.08 -1.27 -1.47 117.51 120.48 2cqi h ILE 25 Ca -0.01 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 2cqi h ILE 25 Cb 0.14 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 2cqi h ILE 25 CO 0.02 0.05 0.13 -0.07 -0.69 0.00 0.00 178.15 177.59 2cqi h LEU 26 N 0.26 0.14 0.04 1.44 3.38 -1.29 0.66 115.31 119.93 2cqi h LEU 26 Ca 0.13 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2cqi h LEU 26 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2cqi h LEU 26 CO -0.12 0.10 -0.02 1.56 0.09 0.00 0.00 178.44 180.05 2cqi h GLN 27 N 0.16 -0.05 -0.20 1.13 1.08 -0.21 0.32 115.11 117.35 2cqi h GLN 27 Ca 0.08 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 2cqi h GLN 27 Cb 0.11 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2cqi h GLN 27 CO -0.01 0.36 0.01 -0.07 -0.95 0.00 0.00 178.83 178.17 2cqi h LEU 28 N -0.46 0.34 -1.02 1.46 3.38 -0.95 -2.77 115.31 115.29 2cqi h LEU 28 Ca -0.00 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2cqi h LEU 28 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2cqi h LEU 28 CO 0.01 0.54 -0.30 -0.26 0.09 0.00 0.00 178.44 178.52 2cqi h PHE 29 N 0.12 0.37 -0.96 1.13 -1.00 -0.94 -2.92 116.94 112.74 2cqi h PHE 29 Ca 0.06 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.76 2cqi h PHE 29 Cb 0.36 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.79 2cqi h PHE 29 CO 0.03 0.60 0.62 1.03 -1.61 0.00 0.00 178.31 178.98 2cqi h SER 30 N 0.29 1.11 -0.53 2.17 0.87 -0.19 -1.32 113.55 115.94 2cqi h SER 30 Ca 0.04 -0.04 0.15 0.00 -1.23 0.00 0.00 61.79 60.72 2cqi h SER 30 Cb 0.68 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2cqi h SER 30 CO 0.05 0.81 0.46 1.56 -0.53 0.00 0.00 176.83 179.19 2cqi h GLN 31 N 1.30 0.00 0.00 2.24 4.20 -1.29 -2.29 115.11 119.27 2cqi h GLN 31 Ca 0.35 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.91 2cqi h GLN 31 Cb -0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2cqi h GLN 31 CO -0.07 0.00 -0.87 0.82 -0.67 0.00 0.00 178.83 178.04 2cqi h ILE 32 N 0.00 0.96 -3.20 2.54 2.04 -1.38 -3.50 117.51 114.97 2cqi h ILE 32 Ca 0.25 -2.04 0.02 0.00 1.00 0.00 0.00 64.86 64.09 2cqi h ILE 32 Cb 1.18 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 39.34 2cqi h ILE 32 CO -0.00 0.33 0.13 -0.83 0.00 0.00 0.00 178.15 177.78 2cqi s GLY 33 N -4.61 0.14 -0.03 5.37 0.00 -0.80 -5.01 107.32 102.38 2cqi s GLY 33 Ca -0.24 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 2cqi s GLY 33 CO 0.55 -0.27 1.47 2.56 0.00 0.00 0.00 173.10 177.41 2cqi s PRO 34 N -3.81 4.24 -0.22 2.90 0.04 -1.26 -3.89 135.00 133.00 2cqi s PRO 34 Ca 0.15 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 2cqi s PRO 34 Cb -0.04 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2cqi s PRO 34 CO 0.08 -0.68 0.33 0.00 0.04 0.00 0.00 177.00 176.77 2cqi h LYS 36 N 7.52 -0.39 -1.89 0.00 1.63 -0.67 -3.47 116.57 119.30 2cqi h LYS 36 Ca -0.36 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.45 2cqi h LYS 36 Cb 1.16 0.09 -0.21 0.00 -0.60 0.00 0.00 32.23 32.67 2cqi h LYS 36 CO 0.69 -0.08 0.26 0.45 -3.45 0.00 0.00 179.45 177.32 2cqi s SER 37 N -5.08 -0.62 -0.07 4.20 0.15 -1.23 -5.03 113.70 106.02 2cqi s SER 37 Ca -0.14 0.91 0.03 0.00 0.70 0.00 0.00 55.95 57.44 2cqi s SER 37 Cb 0.02 0.82 0.01 0.00 -1.71 0.00 0.00 66.02 65.16 2cqi s SER 37 CO 0.55 -0.41 -0.14 0.00 1.20 0.00 0.00 173.24 174.44 2cqi s LYS 39 N 0.59 1.91 -0.27 0.00 2.20 -0.73 -4.94 119.74 118.50 2cqi s LYS 39 Ca -0.15 -1.16 -0.19 0.00 -0.36 0.00 0.00 55.97 54.11 2cqi s LYS 39 Cb -0.16 -2.73 -0.02 0.00 -1.51 0.00 0.00 37.83 33.41 2cqi s LYS 39 CO 0.05 -0.59 0.58 1.41 -0.36 0.00 0.00 175.35 176.44 2cqi s MET 40 N 1.25 4.03 -0.28 4.03 -2.45 -1.26 -0.29 119.30 124.34 2cqi s MET 40 Ca -0.07 0.38 -0.06 0.00 -1.25 0.00 0.00 55.69 54.68 2cqi s MET 40 Cb -0.19 -3.67 -0.00 0.00 1.25 0.00 0.00 34.83 32.21 2cqi s MET 40 CO -0.06 -0.43 0.06 0.42 1.05 0.00 0.00 175.02 176.06 2cqi s ILE 41 N 2.45 3.94 -0.05 10.11 1.01 0.20 -4.92 121.20 133.93 2cqi s ILE 41 Ca 0.24 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.39 2cqi s ILE 41 Cb -0.15 -2.96 0.11 0.00 0.01 0.00 0.00 42.46 39.46 2cqi s ILE 41 CO 0.10 0.18 0.99 0.35 0.00 0.00 0.00 174.94 176.56 2cqi n THR 42 N 4.87 0.83 -0.06 2.92 -2.24 -1.26 -2.04 114.28 117.29 2cqi n THR 42 Ca -0.15 -0.97 -0.10 0.00 -2.27 0.00 0.00 64.05 60.55 2cqi n THR 42 Cb 0.49 0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 2cqi n THR 42 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2cqi n GLU 43 N -0.60 0.66 -1.60 -0.78 0.00 -1.26 -4.31 120.64 112.74 2cqi n GLU 43 Ca 0.06 0.15 -0.27 0.00 0.00 0.00 0.00 57.16 57.10 2cqi n GLU 43 Cb 0.60 -1.66 0.06 0.00 0.00 0.00 0.00 31.44 30.45 2cqi n GLU 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2cqi n HIS 44 N -2.94 2.84 -3.62 -1.84 8.25 -1.26 -4.97 115.22 111.68 2cqi n HIS 44 Ca -0.26 -2.53 -0.38 0.00 -0.26 0.00 0.00 57.72 54.29 2cqi n HIS 44 Cb 1.10 -0.86 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 2cqi n HIS 44 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2cqi s THR 45 N -4.57 4.95 0.09 1.59 -1.32 -1.26 -4.97 115.64 110.16 2cqi s THR 45 Ca 0.57 -0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.84 2cqi s THR 45 Cb 0.46 -3.42 -0.22 0.00 -1.51 0.00 0.00 72.50 67.80 2cqi s THR 45 CO 0.02 0.18 1.23 0.77 -2.21 0.00 0.00 174.62 174.60 2cqi h SER 46 N 8.36 0.78 0.00 8.08 4.64 -1.96 -3.44 113.55 130.01 2cqi h SER 46 Ca -0.34 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.35 2cqi h SER 46 Cb 1.17 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2cqi h SER 46 CO 0.59 1.43 0.00 -3.20 -0.87 0.00 0.00 176.83 174.78 2cqi n ASN 47 N -3.81 0.03 -4.47 4.97 5.15 -1.26 -5.10 115.26 110.76 2cqi n ASN 47 Ca -0.10 0.01 -0.31 0.00 -0.60 0.00 0.00 54.58 53.58 2cqi n ASN 47 Cb 0.87 -0.01 -0.12 0.00 -0.53 0.00 0.00 39.78 39.99 2cqi n ASN 47 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2cqi s ASP 48 N -4.78 3.90 1.08 1.20 1.47 -1.26 -5.10 116.67 113.17 2cqi s ASP 48 Ca 0.00 -0.39 -0.15 0.00 1.18 0.00 0.00 52.55 53.19 2cqi s ASP 48 Cb 0.00 -0.67 0.23 0.00 -0.34 0.00 0.00 42.92 42.14 2cqi s ASP 48 CO 0.00 0.26 1.10 -2.16 0.68 0.00 0.00 175.17 175.05 2cqi s PRO 49 N -1.43 -0.26 0.02 2.11 0.04 -1.26 -4.68 135.00 129.54 2cqi s PRO 49 Ca 0.15 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.28 2cqi s PRO 49 Cb -0.11 -1.68 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2cqi s PRO 49 CO 0.05 -3.14 0.40 1.52 0.04 0.00 0.00 177.00 175.88 2cqi s TYR 50 N -2.99 -0.27 0.05 0.56 1.13 -0.87 -3.14 117.35 111.83 2cqi s TYR 50 Ca 0.68 0.31 0.01 0.00 -1.41 0.00 0.00 57.07 56.65 2cqi s TYR 50 Cb -0.15 0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 40.87 2cqi s TYR 50 CO 0.57 -0.52 -0.05 0.00 -2.51 0.00 0.00 175.55 173.04 2cqi s PHE 52 N -2.35 3.29 -0.19 0.00 0.08 0.60 -0.22 117.98 119.21 2cqi s PHE 52 Ca -0.04 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.28 2cqi s PHE 52 Cb -0.03 -1.86 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2cqi s PHE 52 CO -0.03 0.51 -0.08 0.08 -0.10 0.00 0.00 175.22 175.60 2cqi s VAL 53 N -0.80 1.45 -0.13 -0.44 1.01 -0.28 -1.77 120.40 119.44 2cqi s VAL 53 Ca 0.13 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2cqi s VAL 53 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2cqi s VAL 53 CO 0.03 0.16 0.04 -0.70 0.00 0.00 0.00 175.10 174.63 2cqi s GLU 54 N 1.48 3.47 0.27 2.72 2.12 -0.85 -0.91 118.70 127.00 2cqi s GLU 54 Ca -0.00 -0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.07 2cqi s GLU 54 Cb -0.16 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2cqi s GLU 54 CO -0.08 0.53 0.04 -0.06 -0.54 0.00 0.00 175.26 175.15 2cqi s PHE 55 N -0.38 2.77 0.12 5.30 0.08 0.44 0.04 117.98 126.35 2cqi s PHE 55 Ca 0.09 -0.21 -0.16 0.00 0.12 0.00 0.00 56.93 56.77 2cqi s PHE 55 Cb -0.12 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 2cqi s PHE 55 CO 0.02 0.59 1.58 1.88 -0.10 0.00 0.00 175.22 179.19 2cqi h TYR 56 N 1.80 0.68 -2.39 0.36 -1.99 -1.85 -3.44 116.97 110.14 2cqi h TYR 56 Ca -0.45 -0.10 -0.53 0.00 2.00 0.00 0.00 58.73 59.64 2cqi h TYR 56 Cb 1.25 -0.18 -0.14 0.00 2.00 0.00 0.00 36.73 39.66 2cqi h TYR 56 CO 0.66 0.70 -0.64 -1.21 -0.00 0.00 0.00 178.16 177.67 2cqi s GLU 57 N -5.11 1.70 0.24 4.88 2.02 -1.26 -5.04 118.70 116.12 2cqi s GLU 57 Ca -0.13 -1.91 0.07 0.00 0.02 0.00 0.00 54.97 53.03 2cqi s GLU 57 Cb 0.09 -1.26 0.24 0.00 0.10 0.00 0.00 34.13 33.30 2cqi s GLU 57 CO 0.78 -0.02 1.54 1.25 0.02 0.00 0.00 175.26 178.82 2cqi h HIS 58 N 2.10 0.13 -0.99 1.61 -0.00 -1.88 -2.92 115.15 113.20 2cqi h HIS 58 Ca -0.41 -0.05 0.02 0.00 -0.00 0.00 0.00 60.37 59.92 2cqi h HIS 58 Cb 1.24 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 28.58 2cqi h HIS 58 CO 0.68 0.74 0.65 0.07 -0.00 0.00 0.00 177.93 180.07 2cqi h ARG 59 N 0.06 1.26 -0.06 5.26 0.11 -1.96 0.21 114.38 119.26 2cqi h ARG 59 Ca -0.01 -0.08 -0.08 0.00 0.10 0.00 0.00 59.98 59.91 2cqi h ARG 59 Cb 1.20 -0.28 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2cqi h ARG 59 CO 0.09 0.83 -0.27 -0.44 0.10 0.00 0.00 179.97 180.29 2cqi h ASP 60 N 1.30 0.34 -0.68 0.08 3.32 -1.96 -1.96 116.42 116.86 2cqi h ASP 60 Ca 0.38 -0.65 0.04 0.00 0.02 0.00 0.00 57.03 56.82 2cqi h ASP 60 Cb -0.09 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2cqi h ASP 60 CO -0.10 0.93 0.41 0.00 -1.72 0.00 0.00 179.24 178.77 2cqi h ALA 61 N 0.42 0.90 -0.38 3.45 0.00 -1.30 0.18 119.26 122.53 2cqi h ALA 61 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2cqi h ALA 61 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2cqi h ALA 61 CO 0.06 0.15 -0.15 0.00 0.00 0.00 0.00 179.25 179.31 2cqi h ALA 62 N 1.31 0.53 -0.39 0.00 0.00 -1.01 0.22 119.26 119.93 2cqi h ALA 62 Ca 0.28 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2cqi h ALA 62 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2cqi h ALA 62 CO -0.13 0.44 0.10 0.00 0.00 0.00 0.00 179.25 179.66 2cqi h ALA 63 N 0.81 0.52 -0.09 0.00 0.00 -0.92 -2.32 119.26 117.27 2cqi h ALA 63 Ca 0.09 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2cqi h ALA 63 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2cqi h ALA 63 CO 0.05 0.18 -0.69 0.00 0.00 0.00 0.00 179.25 178.80 2cqi h ALA 64 N 0.95 0.65 0.06 0.00 0.00 -0.63 -2.15 119.26 118.13 2cqi h ALA 64 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2cqi h ALA 64 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2cqi h ALA 64 CO 0.00 0.75 -0.07 1.25 0.00 0.00 0.00 179.25 181.18 2cqi h LEU 65 N 0.28 -0.19 -0.40 0.00 5.85 -0.41 0.61 115.31 121.06 2cqi h LEU 65 Ca -0.02 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2cqi h LEU 65 Cb 1.25 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2cqi h LEU 65 CO 0.12 -0.11 -0.17 0.00 -0.34 0.00 0.00 178.44 177.94 2cqi h ALA 66 N 0.78 0.56 -0.04 1.25 0.00 -1.47 1.32 119.26 121.66 2cqi h ALA 66 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2cqi h ALA 66 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cqi h ALA 66 CO -0.03 0.49 -0.32 0.00 0.00 0.00 0.00 179.25 179.39 2cqi h ALA 67 N 0.82 1.39 0.00 0.00 0.00 -1.20 -2.79 119.26 117.48 2cqi h ALA 67 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2cqi h ALA 67 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2cqi h ALA 67 CO 0.05 0.45 -1.32 -1.33 0.00 0.00 0.00 179.25 177.10 2cqi n MET 68 N -4.13 0.31 -1.53 0.00 2.81 0.21 -4.69 117.12 110.10 2cqi n MET 68 Ca -0.02 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.40 2cqi n MET 68 Cb 0.38 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.29 2cqi n MET 68 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2cqi n ASN 69 N -1.91 2.28 -1.37 7.83 2.85 0.45 -0.75 115.26 124.64 2cqi n ASN 69 Ca 0.01 -0.06 -0.11 0.00 -0.11 0.00 0.00 54.58 54.32 2cqi n ASN 69 Cb 0.44 -1.43 0.01 0.00 1.24 0.00 0.00 39.78 40.04 2cqi n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cqi n GLY 70 N 6.13 0.01 3.83 8.20 0.00 0.34 -4.86 105.19 118.83 2cqi n GLY 70 Ca 0.39 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2cqi n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cqi s ARG 71 N -4.78 2.74 -0.35 1.61 3.52 0.07 -4.63 118.95 117.14 2cqi s ARG 71 Ca 0.07 0.80 -0.14 0.00 -0.13 0.00 0.00 55.73 56.32 2cqi s ARG 71 Cb -0.03 -1.98 -0.01 0.00 -1.56 0.00 0.00 34.95 31.37 2cqi s ARG 71 CO 0.08 -1.20 0.30 0.15 -0.81 0.00 0.00 175.30 173.83 2cqi s LYS 72 N -5.12 3.48 -0.11 5.12 -0.14 -1.26 0.01 119.74 121.72 2cqi s LYS 72 Ca 0.59 -0.57 -0.01 0.00 -1.36 0.00 0.00 55.97 54.61 2cqi s LYS 72 Cb -0.14 -3.82 0.03 0.00 -1.68 0.00 0.00 37.83 32.23 2cqi s LYS 72 CO 0.54 -0.51 -0.01 0.42 -0.76 0.00 0.00 175.35 175.03 2cqi s ILE 73 N 1.86 0.60 -1.24 2.17 1.01 -0.38 -4.81 121.20 120.41 2cqi s ILE 73 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 2cqi s ILE 73 Cb -0.17 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2cqi s ILE 73 CO 0.11 0.19 0.99 0.18 0.00 0.00 0.00 174.94 176.41 2cqi n LEU 74 N 5.06 -3.16 0.00 2.97 4.77 -1.26 -1.39 117.00 123.99 2cqi n LEU 74 Ca -0.09 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2cqi n LEU 74 Cb 0.49 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 2cqi n LEU 74 CO 0.13 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2cqi n GLY 75 N -1.80 0.48 3.18 -0.72 0.00 -1.26 -4.96 105.19 100.11 2cqi n GLY 75 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2cqi n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqi s LYS 76 N -0.55 3.06 -0.04 1.61 2.20 -0.49 -5.10 119.74 120.43 2cqi s LYS 76 Ca 0.00 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 2cqi s LYS 76 Cb 0.00 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 2cqi s LYS 76 CO 0.00 -0.07 1.31 -2.00 -0.36 0.00 0.00 175.35 174.22 2cqi s GLU 77 N 0.98 4.30 -0.15 4.03 2.12 -1.26 -1.25 118.70 127.48 2cqi s GLU 77 Ca -0.03 1.81 -0.09 0.00 0.36 0.00 0.00 54.97 57.02 2cqi s GLU 77 Cb -0.15 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2cqi s GLU 77 CO -0.05 -0.54 0.17 0.14 -0.54 0.00 0.00 175.26 174.44 2cqi s VAL 78 N 2.48 5.42 -0.25 3.70 -7.23 0.10 -4.75 120.40 119.88 2cqi s VAL 78 Ca 0.60 0.27 -0.12 0.00 -1.81 0.00 0.00 61.98 60.92 2cqi s VAL 78 Cb -0.28 -3.47 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 2cqi s VAL 78 CO 0.23 0.52 0.22 -1.59 -0.31 0.00 0.00 175.10 174.18 2cqi s LYS 79 N -0.32 4.05 -0.13 4.82 -2.85 0.48 -0.50 119.74 125.29 2cqi s LYS 79 Ca 0.13 -0.18 0.01 0.00 -1.00 0.00 0.00 55.97 54.93 2cqi s LYS 79 Cb -0.12 -3.58 -0.00 0.00 -2.06 0.00 0.00 37.83 32.07 2cqi s LYS 79 CO 0.02 -0.04 -0.17 0.08 0.10 0.00 0.00 175.35 175.33 2cqi s VAL 80 N 1.36 2.58 0.06 1.79 1.01 -1.26 -0.48 120.40 125.47 2cqi s VAL 80 Ca 0.10 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2cqi s VAL 80 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2cqi s VAL 80 CO 0.07 0.53 -0.01 0.21 0.00 0.00 0.00 175.10 175.90 2cqi s ASN 81 N 0.54 0.46 -0.00 3.32 3.84 -0.78 -4.63 114.94 117.69 2cqi s ASN 81 Ca -0.11 -1.02 -0.30 0.00 0.21 0.00 0.00 52.86 51.64 2cqi s ASN 81 Cb -0.16 0.22 -0.08 0.00 -0.55 0.00 0.00 41.25 40.68 2cqi s ASN 81 CO 0.04 -0.62 1.89 0.26 -2.79 0.00 0.00 177.10 175.88 2cqi s TRP 82 N -3.94 1.46 0.73 0.43 0.52 -1.26 -0.36 118.94 116.52 2cqi s TRP 82 Ca 0.09 -0.24 -0.12 0.00 0.02 0.00 0.00 56.10 55.86 2cqi s TRP 82 Cb 0.08 -4.15 0.03 0.00 -1.15 0.00 0.00 33.47 28.29 2cqi s TRP 82 CO -0.08 -5.03 1.09 0.00 0.02 0.00 0.00 176.95 172.94 2cqi s ALA 83 N 4.54 2.40 0.65 0.98 0.00 -0.59 -4.76 121.76 124.98 2cqi s ALA 83 Ca 0.85 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 2cqi s ALA 83 Cb -0.40 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.48 2cqi s ALA 83 CO 0.38 -1.53 1.01 0.95 0.00 0.00 0.00 175.76 176.57 2cqi s THR 84 N -2.81 3.57 0.05 0.00 -4.23 -1.26 -4.88 115.64 106.07 2cqi s THR 84 Ca 0.62 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 61.47 2cqi s THR 84 Cb -0.17 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 2cqi s THR 84 CO 0.52 -0.55 -0.21 0.42 -0.54 0.00 0.00 174.62 174.25 2cqi s THR 85 N -3.19 2.55 -1.69 3.99 -4.23 -1.26 -5.01 115.64 106.80 2cqi s THR 85 Ca 0.56 -1.29 0.15 0.00 -1.18 0.00 0.00 61.69 59.93 2cqi s THR 85 Cb -0.11 -2.05 0.34 0.00 1.34 0.00 0.00 72.50 72.02 2cqi s THR 85 CO 0.49 0.33 1.37 -0.81 -0.54 0.00 0.00 174.62 175.46 2cqi n PRO 86 N 1.58 0.33 -3.66 3.99 -0.04 -1.26 -4.35 135.00 131.60 2cqi n PRO 86 Ca -0.16 0.08 -0.38 0.00 -0.04 0.00 0.00 63.50 62.99 2cqi n PRO 86 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 2cqi n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqi s SER 87 N -2.31 5.49 0.37 3.54 0.15 -1.26 -5.07 113.70 114.61 2cqi s SER 87 Ca 0.18 -2.31 0.08 0.00 0.70 0.00 0.00 55.95 54.60 2cqi s SER 87 Cb 0.10 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.46 2cqi s SER 87 CO 0.20 -0.54 0.26 -0.44 1.20 0.00 0.00 173.24 173.93 2cqi s SER 88 N 1.74 4.95 0.20 5.45 0.01 -1.26 -5.15 113.70 119.64 2cqi s SER 88 Ca 0.11 -0.71 -0.12 0.00 1.31 0.00 0.00 55.95 56.54 2cqi s SER 88 Cb -0.22 -0.74 -0.00 0.00 0.21 0.00 0.00 66.02 65.27 2cqi s SER 88 CO -0.03 -0.44 0.39 -1.10 0.41 0.00 0.00 173.24 172.47 2cqi s GLN 89 N -3.98 1.34 -0.28 12.44 -1.52 -1.26 -5.17 119.66 121.23 2cqi s GLN 89 Ca 0.42 -1.16 -0.16 0.00 -1.95 0.00 0.00 55.36 52.51 2cqi s GLN 89 Cb -0.03 0.43 0.11 0.00 -0.22 0.00 0.00 33.01 33.30 2cqi s GLN 89 CO 0.25 -0.53 0.82 0.21 -0.25 0.00 0.00 175.29 175.79 2cqi s LYS 90 N -3.97 0.56 0.25 2.91 2.20 -1.26 -5.04 119.74 115.38 2cqi s LYS 90 Ca 0.18 0.97 -0.03 0.00 -0.36 0.00 0.00 55.97 56.73 2cqi s LYS 90 Cb 0.01 0.12 0.47 0.00 -1.51 0.00 0.00 37.83 36.92 2cqi s LYS 90 CO 0.03 -0.12 1.75 1.03 -0.36 0.00 0.00 175.35 177.68 2cqi h SER 91 N 6.60 0.41 0.00 1.43 0.87 -2.02 -3.48 113.55 117.37 2cqi h SER 91 Ca -0.29 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2cqi h SER 91 Cb 1.21 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2cqi h SER 91 CO 0.18 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 2cqi n GLY 92 N -1.32 1.58 3.56 5.77 0.00 -1.26 -5.00 105.19 108.52 2cqi n GLY 92 Ca 0.15 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2cqi n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqi s PRO 93 N 0.00 2.54 -0.11 1.61 0.04 -1.26 -4.89 135.00 132.93 2cqi s PRO 93 Ca 0.00 -0.47 -0.05 0.00 0.04 0.00 0.00 61.00 60.53 2cqi s PRO 93 Cb 0.00 -5.10 0.05 0.00 0.04 0.00 0.00 34.50 29.49 2cqi s PRO 93 CO 0.00 -3.50 0.23 -1.54 0.04 0.00 0.00 177.00 172.23 2cqi s SER 94 N 7.73 0.11 -1.11 6.66 1.04 -1.26 -4.88 113.70 121.99 2cqi s SER 94 Ca 0.70 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 57.58 2cqi s SER 94 Cb -0.05 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2cqi s SER 94 CO 0.02 -0.20 0.96 -1.20 0.98 0.00 0.00 173.24 173.80 2cqi n SER 95 N 4.79 -4.78 -0.39 7.02 7.64 -1.26 -5.18 113.62 121.47 2cqi n SER 95 Ca -0.16 -0.47 0.14 0.00 1.01 0.00 0.00 58.87 59.40 2cqi n SER 95 Cb 0.51 -4.33 0.61 0.00 -1.01 0.00 0.00 64.21 59.99 2cqi n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64