#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqi s SER -5 N 0.00 6.26 0.62 1.61 0.15 -1.26 -5.06 113.70 116.01 2cqi s SER -5 Ca 0.00 0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.86 2cqi s SER -5 Cb 0.00 -1.98 -0.11 0.00 -1.71 0.00 0.00 66.02 62.22 2cqi s SER -5 CO 0.00 0.35 0.08 -1.20 1.20 0.00 0.00 173.24 173.67 2cqi n SER -4 N 1.60 -2.82 -2.78 5.45 7.64 -1.26 -4.98 113.62 116.46 2cqi n SER -4 Ca -0.16 0.61 -0.03 0.00 1.01 0.00 0.00 58.87 60.30 2cqi n SER -4 Cb 0.54 -0.99 0.01 0.00 -1.01 0.00 0.00 64.21 62.77 2cqi n SER -4 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqi s GLY -3 N -1.13 -1.47 -0.02 0.23 0.00 -1.26 -4.80 107.32 98.87 2cqi s GLY -3 Ca 0.60 0.02 -0.11 0.00 0.00 0.00 0.00 44.72 45.23 2cqi s GLY -3 CO 0.64 3.88 0.32 -1.35 0.00 0.00 0.00 173.10 176.59 2cqi s SER -2 N 1.05 6.64 -1.45 1.64 1.04 -1.26 -4.27 113.70 117.10 2cqi s SER -2 Ca 0.26 0.76 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 2cqi s SER -2 Cb 0.03 -2.17 0.05 0.00 0.10 0.00 0.00 66.02 64.03 2cqi s SER -2 CO -0.07 0.32 1.05 -0.24 0.98 0.00 0.00 173.24 175.27 2cqi n SER -1 N 1.67 -5.13 -2.68 7.02 2.88 -1.26 -4.87 113.62 111.26 2cqi n SER -1 Ca -0.15 -0.69 -0.05 0.00 -1.33 0.00 0.00 58.87 56.66 2cqi n SER -1 Cb 0.53 -4.35 0.06 0.00 -0.75 0.00 0.00 64.21 59.71 2cqi n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqi n GLY 0 N -1.79 -0.43 0.20 0.46 0.00 -1.26 -5.02 105.19 97.35 2cqi n GLY 0 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 2cqi n GLY 0 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2cqi h MET 1 N 1.87 0.07 -3.29 1.61 1.85 -1.89 -3.42 114.93 111.72 2cqi h MET 1 Ca -0.38 -0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 58.51 2cqi h MET 1 Cb 1.22 -0.02 -0.27 0.00 0.43 0.00 0.00 31.60 32.97 2cqi h MET 1 CO -0.08 0.05 -0.53 0.00 -0.40 0.00 0.00 176.91 175.95 2cqi s MET 2 N -6.19 0.18 -0.11 0.39 0.00 -1.26 -5.15 119.30 107.17 2cqi s MET 2 Ca -0.14 0.27 0.00 0.00 0.00 0.00 0.00 55.69 55.83 2cqi s MET 2 Cb 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 34.83 35.02 2cqi s MET 2 CO 0.72 -0.05 -0.11 -1.21 0.00 0.00 0.00 175.02 174.37 2cqi s GLU 3 N 0.33 3.17 -0.56 3.16 0.41 -1.26 -5.05 118.70 118.89 2cqi s GLU 3 Ca -0.02 -0.64 0.07 0.00 -0.41 0.00 0.00 54.97 53.97 2cqi s GLU 3 Cb -0.03 -2.63 0.27 0.00 -1.78 0.00 0.00 34.13 29.96 2cqi s GLU 3 CO -0.01 0.37 0.72 -0.25 -0.49 0.00 0.00 175.26 175.60 2cqi n ASP 4 N 3.09 2.86 -0.07 -0.19 8.00 -1.26 -4.83 116.55 124.16 2cqi n ASP 4 Ca -0.18 -3.28 -0.12 0.00 0.71 0.00 0.00 54.79 51.93 2cqi n ASP 4 Cb 0.53 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 2cqi n ASP 4 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2cqi n ASP 5 N 0.80 2.14 -2.92 -2.24 5.75 -1.26 -4.79 116.55 114.03 2cqi n ASP 5 Ca 0.28 0.03 -0.26 0.00 -0.01 0.00 0.00 54.79 54.83 2cqi n ASP 5 Cb 0.45 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 2cqi n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cqi n GLY 6 N 2.54 5.36 2.63 6.12 0.00 -1.26 -5.09 105.19 115.49 2cqi n GLY 6 Ca -0.26 -2.64 -0.37 0.00 0.00 0.00 0.00 46.02 42.75 2cqi n GLY 6 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cqi n GLN 7 N -0.21 0.00 -2.26 1.61 3.00 -1.26 -4.84 117.38 113.42 2cqi n GLN 7 Ca 0.31 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.91 2cqi n GLN 7 Cb 0.45 -0.79 -0.02 0.00 0.00 0.00 0.00 30.24 29.89 2cqi n GLN 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2cqi s PRO 8 N -0.73 4.07 -0.00 -1.09 0.04 -1.26 -4.86 135.00 131.16 2cqi s PRO 8 Ca 0.50 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.45 2cqi s PRO 8 Cb -0.73 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.10 2cqi s PRO 8 CO 0.43 -0.32 0.70 0.54 0.04 0.00 0.00 177.00 178.39 2cqi n ARG 9 N 0.14 0.85 -5.16 4.56 1.74 -1.26 -4.38 116.66 113.16 2cqi n ARG 9 Ca 0.04 -0.89 -0.32 0.00 -0.77 0.00 0.00 57.85 55.92 2cqi n ARG 9 Cb 0.46 -0.67 -0.15 0.00 -1.02 0.00 0.00 32.46 31.08 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 -0.37 2.38 0.02 0.55 2.01 -1.26 -0.65 115.64 118.32 2cqi s THR 10 Ca 0.01 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.08 2cqi s THR 10 Cb 0.01 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 2cqi s THR 10 CO 0.00 0.58 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.62 2cqi s LEU 11 N -0.50 2.11 -0.23 4.42 1.43 0.04 -2.04 118.68 123.91 2cqi s LEU 11 Ca 0.06 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2cqi s LEU 11 Cb -0.11 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2cqi s LEU 11 CO 0.01 0.08 0.12 -0.47 0.23 0.00 0.00 176.35 176.32 2cqi s TYR 12 N -0.61 3.25 -0.24 0.29 6.14 0.64 -1.02 117.35 125.80 2cqi s TYR 12 Ca 0.03 0.06 -0.07 0.00 0.64 0.00 0.00 57.07 57.73 2cqi s TYR 12 Cb -0.07 -2.21 -0.03 0.00 0.42 0.00 0.00 41.96 40.08 2cqi s TYR 12 CO 0.00 0.00 0.05 0.08 0.64 0.00 0.00 175.55 176.33 2cqi s VAL 13 N 0.99 4.16 0.39 3.14 1.01 0.65 -1.91 120.40 128.83 2cqi s VAL 13 Ca 0.06 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2cqi s VAL 13 Cb -0.14 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 2cqi s VAL 13 CO 0.04 0.36 0.04 -0.83 0.00 0.00 0.00 175.10 174.70 2cqi s GLY 14 N 1.57 2.43 -1.03 4.51 0.00 0.40 -0.61 107.32 114.60 2cqi s GLY 14 Ca 0.06 -1.82 -0.06 0.00 0.00 0.00 0.00 44.72 42.89 2cqi s GLY 14 CO 0.02 -1.98 0.84 -2.01 0.00 0.00 0.00 173.10 169.97 2cqi n ASN 15 N -0.94 -5.25 -4.78 1.64 5.15 -1.18 -1.13 115.26 108.77 2cqi n ASN 15 Ca -0.06 -0.38 -0.38 0.00 -0.60 0.00 0.00 54.58 53.16 2cqi n ASN 15 Cb 0.67 -3.87 -0.06 0.00 -0.53 0.00 0.00 39.78 35.98 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 -5.64 4.38 0.57 1.20 1.43 -1.22 -4.24 118.68 115.15 2cqi s LEU 16 Ca 0.42 0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 54.20 2cqi s LEU 16 Cb -0.18 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 2cqi s LEU 16 CO 0.52 0.18 1.21 -0.55 0.23 0.00 0.00 176.35 177.93 2cqi s SER 17 N -0.28 5.39 0.62 2.29 0.15 -1.26 -4.08 113.70 116.52 2cqi s SER 17 Ca 0.24 2.39 0.29 0.00 0.70 0.00 0.00 55.95 59.57 2cqi s SER 17 Cb -0.16 -2.60 1.54 0.00 -1.71 0.00 0.00 66.02 63.09 2cqi s SER 17 CO 0.12 -1.46 1.92 0.03 1.20 0.00 0.00 173.24 175.04 2cqi h ARG 18 N 1.13 0.00 -0.00 5.44 2.47 -2.00 0.25 114.38 121.67 2cqi h ARG 18 Ca -0.50 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 57.99 2cqi h ARG 18 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2cqi h ARG 18 CO 0.56 0.00 -0.95 -0.44 0.56 0.00 0.00 179.97 179.70 2cqi h ASP 19 N 0.00 0.58 -2.39 7.04 5.19 -1.99 -3.45 116.42 121.39 2cqi h ASP 19 Ca 0.12 -0.46 -0.61 0.00 -0.62 0.00 0.00 57.03 55.45 2cqi h ASP 19 Cb 0.92 -0.18 0.09 0.00 0.18 0.00 0.00 39.33 40.35 2cqi h ASP 19 CO -0.00 1.26 0.31 0.52 -3.12 0.00 0.00 179.24 178.21 2cqi n VAL 20 N -3.76 1.39 -4.43 -1.35 0.31 0.88 -4.99 118.33 106.38 2cqi n VAL 20 Ca -0.07 -0.35 -0.21 0.00 -0.01 0.00 0.00 64.34 63.70 2cqi n VAL 20 Cb 0.84 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 32.58 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 -0.54 1.29 0.18 2.52 -4.23 -1.26 -4.92 115.64 108.68 2cqi s THR 21 Ca 0.65 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 59.00 2cqi s THR 21 Cb -0.73 -2.66 0.09 0.00 1.34 0.00 0.00 72.50 70.54 2cqi s THR 21 CO 0.55 -0.12 1.85 -0.08 -0.54 0.00 0.00 174.62 176.28 2cqi h GLU 22 N 2.20 0.79 -0.52 3.99 4.22 -1.96 -1.79 114.58 121.50 2cqi h GLU 22 Ca -0.40 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 58.93 2cqi h GLU 22 Cb 1.24 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2cqi h GLU 22 CO 0.69 0.53 0.10 -0.24 -2.18 0.00 0.00 179.01 177.90 2cqi h VAL 23 N 0.81 1.23 0.09 0.32 3.04 -1.96 -1.95 116.25 117.82 2cqi h VAL 23 Ca 0.22 -0.86 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 2cqi h VAL 23 Cb -0.09 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 2cqi h VAL 23 CO -0.05 0.32 -0.04 0.25 -1.01 0.00 0.00 177.57 177.04 2cqi h LEU 24 N 0.78 -0.10 -0.37 3.16 6.46 -1.83 -1.11 115.31 122.30 2cqi h LEU 24 Ca 0.17 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2cqi h LEU 24 Cb 0.33 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2cqi h LEU 24 CO 0.00 0.09 0.21 0.40 -0.62 0.00 0.00 178.44 178.52 2cqi h ILE 25 N -0.28 1.02 -0.10 4.05 1.08 -1.23 -1.63 117.51 120.41 2cqi h ILE 25 Ca -0.01 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 2cqi h ILE 25 Cb 0.24 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 2cqi h ILE 25 CO 0.02 0.08 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.48 2cqi h LEU 26 N 0.42 0.13 0.01 1.44 3.38 -1.28 0.19 115.31 119.60 2cqi h LEU 26 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2cqi h LEU 26 Cb 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2cqi h LEU 26 CO -0.08 0.17 -0.01 1.56 0.09 0.00 0.00 178.44 180.17 2cqi h GLN 27 N 0.15 -0.02 -0.21 1.13 1.08 -0.29 0.35 115.11 117.29 2cqi h GLN 27 Ca 0.04 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2cqi h GLN 27 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2cqi h GLN 27 CO 0.00 0.37 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.19 2cqi h LEU 28 N -0.42 0.37 -0.84 1.46 3.38 -1.07 -2.74 115.31 115.46 2cqi h LEU 28 Ca -0.00 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 2cqi h LEU 28 Cb 0.40 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2cqi h LEU 28 CO 0.00 0.59 -0.17 -0.26 0.09 0.00 0.00 178.44 178.69 2cqi h PHE 29 N 0.14 0.75 -0.76 1.13 -1.00 -1.02 -2.86 116.94 113.33 2cqi h PHE 29 Ca 0.06 -0.15 0.03 0.00 2.81 0.00 0.00 57.97 60.72 2cqi h PHE 29 Cb 0.40 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 2cqi h PHE 29 CO 0.03 0.81 0.50 1.03 -1.61 0.00 0.00 178.31 179.07 2cqi h SER 30 N 0.61 0.82 -0.56 2.17 0.87 -0.19 -1.06 113.55 116.20 2cqi h SER 30 Ca 0.10 -0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.81 2cqi h SER 30 Cb 0.64 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2cqi h SER 30 CO 0.04 0.57 0.42 1.56 -0.53 0.00 0.00 176.83 178.90 2cqi h GLN 31 N 0.95 0.00 0.00 2.24 4.20 -1.24 -2.66 115.11 118.60 2cqi h GLN 31 Ca 0.29 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.89 2cqi h GLN 31 Cb -0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2cqi h GLN 31 CO -0.08 0.00 -0.75 0.82 -0.67 0.00 0.00 178.83 178.15 2cqi h ILE 32 N 0.00 0.76 -3.54 2.54 2.04 -1.33 -3.50 117.51 114.47 2cqi h ILE 32 Ca 0.27 -1.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.28 2cqi h ILE 32 Cb 1.11 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.79 2cqi h ILE 32 CO -0.00 0.26 -0.06 -0.83 0.00 0.00 0.00 178.15 177.52 2cqi s GLY 33 N -4.48 0.44 0.06 5.37 0.00 -0.85 -5.01 107.32 102.85 2cqi s GLY 33 Ca -0.21 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 2cqi s GLY 33 CO 0.46 -0.54 1.40 2.56 0.00 0.00 0.00 173.10 176.99 2cqi s PRO 34 N -3.99 4.30 -0.23 2.90 0.04 -1.26 -3.86 135.00 132.90 2cqi s PRO 34 Ca 0.21 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 2cqi s PRO 34 Cb -0.02 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2cqi s PRO 34 CO 0.09 -0.50 0.17 0.00 0.04 0.00 0.00 177.00 176.80 2cqi h LYS 36 N 7.35 0.25 -1.51 0.00 1.63 -0.04 -3.48 116.57 120.78 2cqi h LYS 36 Ca -0.38 -0.13 0.09 0.00 -0.85 0.00 0.00 60.65 59.37 2cqi h LYS 36 Cb 1.17 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.54 2cqi h LYS 36 CO 0.68 0.67 0.55 0.45 -3.45 0.00 0.00 179.45 178.34 2cqi s SER 37 N -6.00 -0.36 -0.08 4.20 0.15 -1.21 -5.03 113.70 105.37 2cqi s SER 37 Ca -0.15 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.13 2cqi s SER 37 Cb 0.04 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 2cqi s SER 37 CO 0.73 -0.19 -0.14 0.00 1.20 0.00 0.00 173.24 174.84 2cqi s LYS 39 N 0.80 2.40 -0.27 0.00 2.20 -0.59 -4.93 119.74 119.34 2cqi s LYS 39 Ca -0.11 -1.27 -0.19 0.00 -0.36 0.00 0.00 55.97 54.04 2cqi s LYS 39 Cb -0.16 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2cqi s LYS 39 CO 0.02 -0.57 0.59 1.41 -0.36 0.00 0.00 175.35 176.44 2cqi s MET 40 N 1.19 4.03 -0.23 4.03 -2.45 -1.26 -0.27 119.30 124.34 2cqi s MET 40 Ca -0.06 0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 54.71 2cqi s MET 40 Cb -0.19 -3.68 -0.02 0.00 1.25 0.00 0.00 34.83 32.19 2cqi s MET 40 CO -0.03 -0.44 0.00 0.42 1.05 0.00 0.00 175.02 176.02 2cqi s ILE 41 N 2.47 3.82 -0.39 10.11 1.01 0.13 -4.97 121.20 133.37 2cqi s ILE 41 Ca 0.24 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.65 2cqi s ILE 41 Cb -0.15 -2.75 0.43 0.00 0.01 0.00 0.00 42.46 39.99 2cqi s ILE 41 CO 0.10 0.40 1.03 0.35 0.00 0.00 0.00 174.94 176.81 2cqi n THR 42 N 4.72 1.76 -1.24 2.92 -2.24 -1.26 -2.07 114.28 116.86 2cqi n THR 42 Ca -0.17 -4.19 -0.26 0.00 -2.27 0.00 0.00 64.05 57.16 2cqi n THR 42 Cb 0.51 -0.46 0.16 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.28 2.33 -4.27 -0.78 0.28 -1.26 -4.93 120.64 111.73 2cqi n GLU 43 Ca 0.26 -3.06 -0.21 0.00 -0.16 0.00 0.00 57.16 54.00 2cqi n GLU 43 Cb 0.71 -2.20 -0.12 0.00 1.43 0.00 0.00 31.44 31.26 2cqi n GLU 43 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2cqi s HIS 44 N -3.39 1.44 0.00 -1.84 3.76 -1.26 -5.03 115.29 108.97 2cqi s HIS 44 Ca 0.58 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2cqi s HIS 44 Cb 0.48 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 33.36 2cqi s HIS 44 CO 0.09 0.10 0.00 -2.37 -0.85 0.00 0.00 174.74 171.71 2cqi n THR 45 N 1.36 0.00 -0.03 1.30 5.66 -1.26 -4.79 114.28 116.52 2cqi n THR 45 Ca -0.20 -0.05 -0.22 0.00 -3.05 0.00 0.00 64.05 60.54 2cqi n THR 45 Cb 0.54 0.46 -0.13 0.00 -1.55 0.00 0.00 70.33 69.65 2cqi n THR 45 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2cqi h SER 46 N 0.00 0.28 -4.08 1.09 0.87 -2.03 -3.47 113.55 106.22 2cqi h SER 46 Ca 0.00 -0.80 -0.69 0.00 -1.23 0.00 0.00 61.79 59.07 2cqi h SER 46 Cb 0.00 -0.09 -0.24 0.00 -0.44 0.00 0.00 62.40 61.63 2cqi h SER 46 CO 0.00 1.71 -0.79 0.54 -0.53 0.00 0.00 176.83 177.77 2cqi s ASN 47 N -6.99 3.90 0.78 6.23 2.20 -1.26 -5.10 114.94 114.70 2cqi s ASN 47 Ca -0.24 -0.23 -0.17 0.00 -0.94 0.00 0.00 52.86 51.28 2cqi s ASN 47 Cb 0.06 -0.81 -0.12 0.00 -2.00 0.00 0.00 41.25 38.38 2cqi s ASN 47 CO 0.71 0.34 -0.28 -0.90 -2.94 0.00 0.00 177.10 174.03 2cqi n ASP 48 N 2.37 -4.18 -4.12 3.54 5.68 -1.26 -4.74 116.55 113.83 2cqi n ASP 48 Ca -0.17 0.42 -0.29 0.00 -0.50 0.00 0.00 54.79 54.25 2cqi n ASP 48 Cb 0.52 -0.89 0.22 0.00 -1.14 0.00 0.00 41.12 39.83 2cqi n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2cqi s PRO 49 N -1.88 -0.68 -0.13 0.11 0.04 -1.26 -4.65 135.00 126.55 2cqi s PRO 49 Ca 0.51 0.13 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 2cqi s PRO 49 Cb -0.32 -1.64 0.05 0.00 0.04 0.00 0.00 34.50 32.63 2cqi s PRO 49 CO 0.72 -3.39 0.52 1.52 0.04 0.00 0.00 177.00 176.41 2cqi s TYR 50 N -2.99 -0.52 0.12 0.56 -0.85 -0.88 -3.08 117.35 109.70 2cqi s TYR 50 Ca 0.69 1.12 0.07 0.00 -0.52 0.00 0.00 57.07 58.42 2cqi s TYR 50 Cb -0.13 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 2cqi s TYR 50 CO 0.57 -0.38 -0.16 0.00 -1.52 0.00 0.00 175.55 174.06 2cqi s PHE 52 N -1.83 3.40 -0.16 0.00 0.08 0.63 -0.25 117.98 119.86 2cqi s PHE 52 Ca 0.08 0.38 -0.00 0.00 0.12 0.00 0.00 56.93 57.51 2cqi s PHE 52 Cb -0.07 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2cqi s PHE 52 CO 0.04 0.62 -0.09 0.08 -0.10 0.00 0.00 175.22 175.77 2cqi s VAL 53 N -0.96 1.30 -0.11 -0.44 1.01 -0.19 -1.54 120.40 119.48 2cqi s VAL 53 Ca 0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2cqi s VAL 53 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2cqi s VAL 53 CO 0.03 0.26 -0.03 -0.70 0.00 0.00 0.00 175.10 174.66 2cqi s GLU 54 N 1.57 3.22 0.40 2.72 2.12 -0.74 -0.78 118.70 127.21 2cqi s GLU 54 Ca 0.02 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 54.93 2cqi s GLU 54 Cb -0.14 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2cqi s GLU 54 CO -0.09 0.49 0.26 -0.06 -0.54 0.00 0.00 175.26 175.33 2cqi s PHE 55 N -0.33 2.67 0.10 5.30 0.40 0.18 0.65 117.98 126.95 2cqi s PHE 55 Ca 0.06 -0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 55.80 2cqi s PHE 55 Cb -0.12 -2.01 -0.18 0.00 0.51 0.00 0.00 43.02 41.21 2cqi s PHE 55 CO 0.02 0.08 1.22 1.88 0.70 0.00 0.00 175.22 179.12 2cqi h TYR 56 N 1.27 0.70 -3.01 0.36 -1.99 -1.86 -3.42 116.97 109.01 2cqi h TYR 56 Ca -0.42 -0.42 -0.43 0.00 2.00 0.00 0.00 58.73 59.46 2cqi h TYR 56 Cb 1.26 -0.06 -0.14 0.00 2.00 0.00 0.00 36.73 39.78 2cqi h TYR 56 CO 0.58 1.26 -0.67 -1.21 -0.00 0.00 0.00 178.16 178.12 2cqi s GLU 57 N -3.08 1.41 0.23 4.88 2.02 -1.26 -5.05 118.70 117.85 2cqi s GLU 57 Ca -0.06 -1.70 0.06 0.00 0.02 0.00 0.00 54.97 53.28 2cqi s GLU 57 Cb 0.08 -0.87 0.23 0.00 0.10 0.00 0.00 34.13 33.67 2cqi s GLU 57 CO 0.89 -0.01 1.54 1.25 0.02 0.00 0.00 175.26 178.95 2cqi h HIS 58 N 2.42 0.22 -0.88 1.61 -0.00 -1.89 -2.87 115.15 113.74 2cqi h HIS 58 Ca -0.39 -0.09 0.02 0.00 -0.00 0.00 0.00 60.37 59.91 2cqi h HIS 58 Cb 1.22 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.55 2cqi h HIS 58 CO 0.63 0.77 0.58 0.07 -0.00 0.00 0.00 177.93 179.98 2cqi h ARG 59 N 0.12 1.12 -0.04 5.26 0.11 -1.97 0.40 114.38 119.38 2cqi h ARG 59 Ca -0.01 -0.07 -0.09 0.00 0.10 0.00 0.00 59.98 59.91 2cqi h ARG 59 Cb 1.17 -0.25 0.01 0.00 1.11 0.00 0.00 29.97 32.00 2cqi h ARG 59 CO 0.10 0.74 -0.34 -0.44 0.10 0.00 0.00 179.97 180.13 2cqi h ASP 60 N 1.15 0.37 -0.70 0.08 3.32 -1.95 -1.93 116.42 116.76 2cqi h ASP 60 Ca 0.34 -0.69 0.03 0.00 0.02 0.00 0.00 57.03 56.73 2cqi h ASP 60 Cb -0.06 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 2cqi h ASP 60 CO -0.09 1.00 0.44 0.00 -1.72 0.00 0.00 179.24 178.88 2cqi h ALA 61 N 0.38 0.92 -0.33 3.45 0.00 -1.27 0.22 119.26 122.63 2cqi h ALA 61 Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2cqi h ALA 61 Cb 1.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2cqi h ALA 61 CO 0.07 0.22 -0.21 0.00 0.00 0.00 0.00 179.25 179.33 2cqi h ALA 62 N 1.30 0.47 -0.37 0.00 0.00 -0.99 0.16 119.26 119.84 2cqi h ALA 62 Ca 0.28 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2cqi h ALA 62 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2cqi h ALA 62 CO -0.11 0.43 0.07 0.00 0.00 0.00 0.00 179.25 179.65 2cqi h ALA 63 N 0.76 0.49 -0.09 0.00 0.00 -0.97 -2.40 119.26 117.05 2cqi h ALA 63 Ca 0.07 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2cqi h ALA 63 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2cqi h ALA 63 CO 0.06 0.18 -0.65 0.00 0.00 0.00 0.00 179.25 178.85 2cqi h ALA 64 N 0.92 0.73 0.08 0.00 0.00 -0.56 -2.18 119.26 118.26 2cqi h ALA 64 Ca 0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2cqi h ALA 64 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2cqi h ALA 64 CO 0.00 0.74 -0.06 1.25 0.00 0.00 0.00 179.25 181.19 2cqi h LEU 65 N 0.25 -0.14 -0.41 0.00 5.85 -0.53 0.55 115.31 120.88 2cqi h LEU 65 Ca -0.01 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2cqi h LEU 65 Cb 1.18 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2cqi h LEU 65 CO 0.11 -0.09 -0.15 0.00 -0.34 0.00 0.00 178.44 177.96 2cqi h ALA 66 N 0.77 0.56 -0.32 1.25 0.00 -1.47 1.42 119.26 121.47 2cqi h ALA 66 Ca -0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2cqi h ALA 66 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2cqi h ALA 66 CO 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 2cqi h ALA 67 N 0.83 1.18 0.00 0.00 0.00 -1.23 -2.80 119.26 117.25 2cqi h ALA 67 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2cqi h ALA 67 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2cqi h ALA 67 CO 0.05 0.52 -1.09 -1.33 0.00 0.00 0.00 179.25 177.40 2cqi n MET 68 N -4.19 0.32 -1.55 0.00 2.81 0.19 -4.64 117.12 110.07 2cqi n MET 68 Ca 0.01 -0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.46 2cqi n MET 68 Cb 0.33 -1.60 -0.05 0.00 -0.71 0.00 0.00 33.22 31.20 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 -2.01 2.57 -1.76 7.83 2.85 0.48 -1.07 115.26 124.14 2cqi n ASN 69 Ca 0.01 0.01 -0.14 0.00 -0.11 0.00 0.00 54.58 54.36 2cqi n ASN 69 Cb 0.45 -1.47 0.01 0.00 1.24 0.00 0.00 39.78 40.00 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 6.05 -0.14 3.85 8.20 0.00 0.88 -4.84 105.19 119.19 2cqi n GLY 70 Ca 0.37 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.95 3.05 -0.36 1.61 3.52 -0.24 -4.63 118.95 116.95 2cqi s ARG 71 Ca 0.09 0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 56.28 2cqi s ARG 71 Cb -0.04 -2.02 -0.00 0.00 -1.56 0.00 0.00 34.95 31.33 2cqi s ARG 71 CO 0.11 -0.96 0.40 0.15 -0.81 0.00 0.00 175.30 174.19 2cqi s LYS 72 N -5.17 3.45 -0.06 5.12 -0.14 -1.26 0.11 119.74 121.79 2cqi s LYS 72 Ca 0.57 -0.47 -0.01 0.00 -1.36 0.00 0.00 55.97 54.71 2cqi s LYS 72 Cb -0.12 -3.85 0.03 0.00 -1.68 0.00 0.00 37.83 32.21 2cqi s LYS 72 CO 0.54 -0.62 -0.01 0.42 -0.76 0.00 0.00 175.35 174.91 2cqi s ILE 73 N 2.10 0.43 -1.56 2.17 1.01 -0.66 -4.81 121.20 119.89 2cqi s ILE 73 Ca 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 2cqi s ILE 73 Cb -0.17 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.76 2cqi s ILE 73 CO 0.12 0.25 0.54 0.18 0.00 0.00 0.00 174.94 176.03 2cqi n LEU 74 N 4.81 -2.60 0.00 2.97 4.77 -1.26 -1.04 117.00 124.65 2cqi n LEU 74 Ca -0.13 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2cqi n LEU 74 Cb 0.50 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 2cqi n LEU 74 CO 0.15 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2cqi n GLY 75 N -1.47 1.64 3.31 -0.72 0.00 -1.26 -4.97 105.19 101.73 2cqi n GLY 75 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.10 3.34 -0.07 1.61 2.20 -0.20 -5.08 119.74 121.43 2cqi s LYS 76 Ca 0.00 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 2cqi s LYS 76 Cb 0.00 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 2cqi s LYS 76 CO 0.00 -0.04 1.41 -2.00 -0.36 0.00 0.00 175.35 174.36 2cqi s GLU 77 N 1.03 4.24 -0.11 4.03 2.12 -1.26 -1.66 118.70 127.10 2cqi s GLU 77 Ca -0.00 1.90 -0.12 0.00 0.36 0.00 0.00 54.97 57.11 2cqi s GLU 77 Cb -0.15 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 2cqi s GLU 77 CO -0.01 -0.68 0.28 0.14 -0.54 0.00 0.00 175.26 174.44 2cqi s VAL 78 N 3.19 5.29 -0.22 3.70 -7.23 0.12 -4.78 120.40 120.47 2cqi s VAL 78 Ca 0.63 0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 61.21 2cqi s VAL 78 Cb -0.28 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2cqi s VAL 78 CO 0.23 0.50 0.17 -1.59 -0.31 0.00 0.00 175.10 174.10 2cqi s LYS 79 N -0.34 4.13 -0.10 4.82 -2.85 -0.28 -0.08 119.74 125.04 2cqi s LYS 79 Ca 0.18 -0.21 0.04 0.00 -1.00 0.00 0.00 55.97 54.98 2cqi s LYS 79 Cb -0.14 -3.49 0.00 0.00 -2.06 0.00 0.00 37.83 32.15 2cqi s LYS 79 CO 0.06 0.15 -0.23 0.08 0.10 0.00 0.00 175.35 175.52 2cqi s VAL 80 N 0.78 1.97 0.11 1.79 1.01 -1.26 -0.45 120.40 124.35 2cqi s VAL 80 Ca 0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2cqi s VAL 80 Cb -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2cqi s VAL 80 CO 0.02 0.54 0.11 0.21 0.00 0.00 0.00 175.10 175.98 2cqi s ASN 81 N 0.39 0.26 0.02 3.32 2.47 -0.80 -4.61 114.94 115.99 2cqi s ASN 81 Ca -0.18 -0.96 -0.30 0.00 0.42 0.00 0.00 52.86 51.83 2cqi s ASN 81 Cb -0.18 0.31 -0.08 0.00 -1.45 0.00 0.00 41.25 39.85 2cqi s ASN 81 CO 0.08 -0.73 1.76 0.26 -3.72 0.00 0.00 177.10 174.76 2cqi s TRP 82 N -3.96 1.90 -0.02 0.43 0.52 -1.26 -0.26 118.94 116.29 2cqi s TRP 82 Ca 0.14 0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.23 2cqi s TRP 82 Cb 0.06 -4.05 -0.02 0.00 -1.15 0.00 0.00 33.47 28.31 2cqi s TRP 82 CO -0.05 -4.46 0.30 0.00 0.02 0.00 0.00 176.95 172.76 2cqi h ALA 83 N 9.45 -0.28 -2.41 0.98 0.00 -1.71 -3.45 119.26 121.85 2cqi h ALA 83 Ca -0.44 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 2cqi h ALA 83 Cb 1.21 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2cqi h ALA 83 CO 0.94 -0.27 0.36 -0.08 0.00 0.00 0.00 179.25 180.20 2cqi s THR 84 N -1.92 4.90 0.05 0.00 -1.32 -1.26 -5.01 115.64 111.08 2cqi s THR 84 Ca -0.02 1.60 0.00 0.00 -1.21 0.00 0.00 61.69 62.06 2cqi s THR 84 Cb 0.00 -4.12 -0.04 0.00 -1.51 0.00 0.00 72.50 66.83 2cqi s THR 84 CO 0.06 0.04 0.17 0.42 -2.21 0.00 0.00 174.62 173.10 2cqi s THR 85 N 2.06 5.18 0.16 5.08 -4.23 -1.26 -4.79 115.64 117.83 2cqi s THR 85 Ca 0.38 -0.43 0.31 0.00 -1.18 0.00 0.00 61.69 60.77 2cqi s THR 85 Cb -0.17 -3.49 0.35 0.00 1.34 0.00 0.00 72.50 70.53 2cqi s THR 85 CO 0.13 0.18 1.97 1.55 -0.54 0.00 0.00 174.62 177.90 2cqi h PRO 86 N 3.31 0.00 -5.71 3.99 0.13 -1.96 -3.46 132.00 128.30 2cqi h PRO 86 Ca -0.46 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.03 2cqi h PRO 86 Cb 1.17 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.40 2cqi h PRO 86 CO 0.72 0.07 -0.49 -1.13 -0.23 0.00 0.00 178.00 176.93 2cqi n SER 87 N -3.21 -1.17 -3.59 1.44 3.41 -1.26 -4.96 113.62 104.29 2cqi n SER 87 Ca 0.00 1.07 -0.06 0.00 -0.26 0.00 0.00 58.87 59.63 2cqi n SER 87 Cb 0.32 -0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 63.35 2cqi n SER 87 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqi s SER 88 N -0.93 -0.27 -1.18 4.04 1.04 -1.26 -5.07 113.70 110.07 2cqi s SER 88 Ca 0.61 -0.11 -0.22 0.00 0.48 0.00 0.00 55.95 56.71 2cqi s SER 88 Cb -0.89 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 2cqi s SER 88 CO 0.53 -0.63 1.84 -1.58 0.98 0.00 0.00 173.24 174.39 2cqi s GLN 89 N -3.03 3.02 -0.19 4.02 -0.44 -1.26 -4.92 119.66 116.85 2cqi s GLN 89 Ca 0.08 -1.31 -0.39 0.00 -2.50 0.00 0.00 55.36 51.24 2cqi s GLN 89 Cb -0.01 -5.32 -0.16 0.00 -1.64 0.00 0.00 33.01 25.89 2cqi s GLN 89 CO -0.05 -3.28 1.68 1.63 0.50 0.00 0.00 175.29 175.76 2cqi n LYS 90 N 8.42 1.23 0.43 1.67 5.02 -1.26 -4.88 118.16 128.78 2cqi n LYS 90 Ca 0.45 0.45 -0.17 0.00 -2.02 0.00 0.00 58.31 57.01 2cqi n LYS 90 Cb 0.47 -2.13 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 2cqi n LYS 90 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2cqi h SER 91 N 6.82 -0.93 -5.00 4.39 0.02 -1.98 -3.50 113.55 113.37 2cqi h SER 91 Ca -0.47 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2cqi h SER 91 Cb 1.32 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.10 2cqi h SER 91 CO 0.92 -0.58 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 2cqi n GLY 92 N -1.12 2.06 3.76 -3.77 0.00 -1.26 -5.07 105.19 99.78 2cqi n GLY 92 Ca -0.14 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.00 2.03 0.01 1.61 0.04 -1.26 -5.08 135.00 130.36 2cqi s PRO 93 Ca 0.00 1.10 -0.28 0.00 0.04 0.00 0.00 61.00 61.85 2cqi s PRO 93 Cb 0.00 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.73 2cqi s PRO 93 CO 0.00 -1.78 0.65 0.45 0.04 0.00 0.00 177.00 176.35 2cqi s SER 94 N -3.39 -0.62 0.12 6.66 0.15 -1.26 -5.06 113.70 110.29 2cqi s SER 94 Ca 0.62 0.48 -0.24 0.00 0.70 0.00 0.00 55.95 57.51 2cqi s SER 94 Cb -0.17 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.64 2cqi s SER 94 CO 0.56 -0.72 1.31 -1.20 1.20 0.00 0.00 173.24 174.39 2cqi n SER 95 N 0.52 -0.81 0.00 5.45 7.64 -1.26 -5.34 113.62 119.82 2cqi n SER 95 Ca -0.18 1.49 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2cqi n SER 95 Cb 0.59 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2cqi n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64