#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 -3.06 -4.46 1.61 7.64 -1.26 -4.87 113.62 109.22 2cqi n SER -5 Ca 0.00 -0.46 -0.43 0.00 1.01 0.00 0.00 58.87 58.98 2cqi n SER -5 Cb 0.00 -0.97 -0.03 0.00 -1.01 0.00 0.00 64.21 62.20 2cqi n SER -5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cqi s SER -4 N -2.38 6.51 0.00 6.43 0.15 -1.26 -4.91 113.70 118.24 2cqi s SER -4 Ca 0.56 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2cqi s SER -4 Cb -0.13 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2cqi s SER -4 CO 0.54 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2cqi n GLY -3 N 5.60 2.30 3.70 9.45 0.00 -1.26 -5.13 105.19 119.85 2cqi n GLY -3 Ca 0.19 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2cqi n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqi n SER -2 N 0.00 3.86 -4.77 1.61 2.88 -1.26 -4.96 113.62 110.99 2cqi n SER -2 Ca 0.00 1.04 -0.40 0.00 -1.33 0.00 0.00 58.87 58.18 2cqi n SER -2 Cb 0.00 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 61.87 2cqi n SER -2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqi s SER -1 N 1.72 7.37 -0.34 -3.46 1.04 -1.26 -4.98 113.70 113.79 2cqi s SER -1 Ca 0.78 1.62 -0.00 0.00 0.48 0.00 0.00 55.95 58.83 2cqi s SER -1 Cb -0.53 -2.50 0.29 0.00 0.10 0.00 0.00 66.02 63.38 2cqi s SER -1 CO 0.35 0.15 1.26 0.61 0.98 0.00 0.00 173.24 176.59 2cqi n GLY 0 N 1.80 -1.56 3.14 7.32 0.00 -1.26 -4.96 105.19 109.67 2cqi n GLY 0 Ca -0.04 0.91 -0.16 0.00 0.00 0.00 0.00 46.02 46.72 2cqi n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cqi s MET 1 N 0.12 0.75 -0.41 1.61 -2.45 -1.26 -5.09 119.30 112.58 2cqi s MET 1 Ca 0.25 -0.93 -0.45 0.00 -1.25 0.00 0.00 55.69 53.31 2cqi s MET 1 Cb 0.23 -0.65 -0.19 0.00 1.25 0.00 0.00 34.83 35.47 2cqi s MET 1 CO -0.12 0.14 1.60 -0.12 1.05 0.00 0.00 175.02 177.56 2cqi n MET 2 N 1.23 0.29 -3.86 4.11 0.00 -1.26 -4.91 117.12 112.71 2cqi n MET 2 Ca -0.21 0.10 -0.36 0.00 -0.00 0.00 0.00 57.70 57.24 2cqi n MET 2 Cb 0.55 -1.65 -0.13 0.00 0.00 0.00 0.00 33.22 31.98 2cqi n MET 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2cqi s GLU 3 N 2.89 2.81 0.35 2.12 0.41 -1.26 -5.10 118.70 120.92 2cqi s GLU 3 Ca 1.02 -1.02 0.07 0.00 -0.41 0.00 0.00 54.97 54.63 2cqi s GLU 3 Cb -1.38 -3.21 -0.01 0.00 -1.78 0.00 0.00 34.13 27.75 2cqi s GLU 3 CO 0.76 -0.49 0.41 0.16 -0.49 0.00 0.00 175.26 175.61 2cqi s ASP 4 N 1.38 5.63 -0.01 -0.19 -4.77 -1.26 -4.99 116.67 112.46 2cqi s ASP 4 Ca -0.00 -0.37 -0.03 0.00 -3.30 0.00 0.00 52.55 48.85 2cqi s ASP 4 Cb -0.18 -1.02 -0.14 0.00 -1.09 0.00 0.00 42.92 40.50 2cqi s ASP 4 CO -0.01 -0.46 2.84 -0.90 0.70 0.00 0.00 175.17 177.34 2cqi n ASP 5 N -1.57 5.32 -3.91 2.11 5.75 -1.26 -4.75 116.55 118.24 2cqi n ASP 5 Ca 0.01 -2.46 -0.28 0.00 -0.01 0.00 0.00 54.79 52.04 2cqi n ASP 5 Cb 0.59 -1.28 -0.07 0.00 -1.03 0.00 0.00 41.12 39.33 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 1.99 -0.19 2.31 6.12 0.00 -1.26 -4.43 105.19 109.74 2cqi n GLY 6 Ca 0.23 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.58 0.00 -2.25 1.61 6.02 -1.26 -4.80 117.38 113.12 2cqi n GLN 7 Ca -0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.50 2cqi n GLN 7 Cb 0.46 -0.87 -0.02 0.00 1.02 0.00 0.00 30.24 30.83 2cqi n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cqi s PRO 8 N 5.48 4.11 -0.07 -1.09 0.04 -1.26 -4.85 135.00 137.35 2cqi s PRO 8 Ca 0.89 1.92 0.11 0.00 0.04 0.00 0.00 61.00 63.96 2cqi s PRO 8 Cb -0.74 -2.76 0.19 0.00 0.04 0.00 0.00 34.50 31.23 2cqi s PRO 8 CO 0.34 -0.30 1.09 0.54 0.04 0.00 0.00 177.00 178.72 2cqi n ARG 9 N 0.23 0.63 -5.22 4.56 1.74 -1.26 -4.62 116.66 112.71 2cqi n ARG 9 Ca 0.03 -1.89 -0.31 0.00 -0.77 0.00 0.00 57.85 54.91 2cqi n ARG 9 Cb 0.45 -0.93 -0.16 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.38 2.21 -0.02 0.55 2.01 -1.26 -0.82 115.64 116.93 2cqi s THR 10 Ca 0.19 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 61.19 2cqi s THR 10 Cb 0.17 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2cqi s THR 10 CO -0.01 0.58 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.61 2cqi s LEU 11 N -0.41 1.97 -0.23 4.42 1.43 -0.49 -1.72 118.68 123.64 2cqi s LEU 11 Ca 0.04 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 2cqi s LEU 11 Cb -0.12 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 2cqi s LEU 11 CO 0.01 0.14 0.30 -0.47 0.23 0.00 0.00 176.35 176.56 2cqi s TYR 12 N -0.17 3.33 -0.23 0.29 6.14 0.58 -1.45 117.35 125.84 2cqi s TYR 12 Ca 0.02 0.42 -0.06 0.00 0.64 0.00 0.00 57.07 58.09 2cqi s TYR 12 Cb -0.06 -2.43 -0.02 0.00 0.42 0.00 0.00 41.96 39.86 2cqi s TYR 12 CO -0.00 -0.02 0.03 0.08 0.64 0.00 0.00 175.55 176.27 2cqi s VAL 13 N 1.36 3.99 0.36 3.14 1.01 0.38 -1.93 120.40 128.70 2cqi s VAL 13 Ca 0.14 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2cqi s VAL 13 Cb -0.14 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2cqi s VAL 13 CO 0.07 0.38 0.08 -0.83 0.00 0.00 0.00 175.10 174.80 2cqi s GLY 14 N 1.49 2.30 -0.85 4.51 0.00 0.33 -0.50 107.32 114.59 2cqi s GLY 14 Ca 0.06 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.09 2cqi s GLY 14 CO 0.01 -1.83 0.72 -2.01 0.00 0.00 0.00 173.10 170.00 2cqi n ASN 15 N -0.93 -2.89 -4.97 1.64 5.15 -1.19 -0.20 115.26 111.87 2cqi n ASN 15 Ca -0.04 -0.41 -0.21 0.00 -0.60 0.00 0.00 54.58 53.32 2cqi n ASN 15 Cb 0.66 -3.65 -0.02 0.00 -0.53 0.00 0.00 39.78 36.24 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 -5.09 4.24 0.21 1.20 1.43 -1.23 -3.84 118.68 115.61 2cqi s LEU 16 Ca 0.12 0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 53.18 2cqi s LEU 16 Cb -0.05 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.17 2cqi s LEU 16 CO 0.50 -0.14 0.61 -0.55 0.23 0.00 0.00 176.35 177.00 2cqi s SER 17 N -4.01 6.80 0.55 2.29 0.15 -1.26 -4.24 113.70 113.98 2cqi s SER 17 Ca 0.36 1.12 0.20 0.00 0.70 0.00 0.00 55.95 58.33 2cqi s SER 17 Cb -0.09 -2.31 1.11 0.00 -1.71 0.00 0.00 66.02 63.02 2cqi s SER 17 CO 0.30 -0.00 1.58 0.03 1.20 0.00 0.00 173.24 176.35 2cqi h ARG 18 N 3.06 0.00 0.14 5.44 3.08 -1.99 0.52 114.38 124.65 2cqi h ARG 18 Ca -0.48 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.27 2cqi h ARG 18 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2cqi h ARG 18 CO 0.66 0.00 -1.42 0.22 -1.07 0.00 0.00 179.97 178.37 2cqi h ASP 19 N 0.00 0.48 -1.92 7.04 1.82 -1.99 -3.46 116.42 118.38 2cqi h ASP 19 Ca 0.00 -0.57 -0.64 0.00 -0.39 0.00 0.00 57.03 55.43 2cqi h ASP 19 Cb 0.82 -0.16 0.10 0.00 0.68 0.00 0.00 39.33 40.77 2cqi h ASP 19 CO 0.00 1.46 0.03 0.52 -1.61 0.00 0.00 179.24 179.64 2cqi n VAL 20 N -3.53 1.57 -4.35 2.25 0.31 0.18 -4.99 118.33 109.77 2cqi n VAL 20 Ca -0.14 -0.39 -0.18 0.00 -0.01 0.00 0.00 64.34 63.62 2cqi n VAL 20 Cb 1.05 -0.69 -0.10 0.00 -0.91 0.00 0.00 33.84 33.19 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 -0.73 1.33 0.19 2.52 -4.23 -1.26 -4.93 115.64 108.53 2cqi s THR 21 Ca 0.66 -2.09 -0.12 0.00 -1.18 0.00 0.00 61.69 58.96 2cqi s THR 21 Cb -0.82 -2.28 0.10 0.00 1.34 0.00 0.00 72.50 70.83 2cqi s THR 21 CO 0.57 -0.40 1.81 -0.08 -0.54 0.00 0.00 174.62 175.97 2cqi h GLU 22 N 2.46 0.62 -0.40 3.99 4.22 -1.96 -1.63 114.58 121.87 2cqi h GLU 22 Ca -0.39 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 58.94 2cqi h GLU 22 Cb 1.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2cqi h GLU 22 CO 0.65 0.41 -0.05 0.28 -2.18 0.00 0.00 179.01 178.11 2cqi h VAL 23 N 0.64 1.24 0.08 0.32 2.07 -1.96 -2.40 116.25 116.22 2cqi h VAL 23 Ca 0.24 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2cqi h VAL 23 Cb 0.08 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2cqi h VAL 23 CO -0.13 0.35 -0.04 0.25 0.02 0.00 0.00 177.57 178.02 2cqi h LEU 24 N 0.63 -0.09 -0.28 2.57 6.46 -1.78 -1.38 115.31 121.44 2cqi h LEU 24 Ca 0.12 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 2cqi h LEU 24 Cb 0.47 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2cqi h LEU 24 CO 0.02 0.05 0.11 0.40 -0.62 0.00 0.00 178.44 178.41 2cqi h ILE 25 N -0.22 0.95 -0.18 4.05 1.08 -1.23 -1.57 117.51 120.38 2cqi h ILE 25 Ca -0.01 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2cqi h ILE 25 Cb 0.19 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 2cqi h ILE 25 CO 0.02 0.05 0.12 -0.07 -0.69 0.00 0.00 178.15 177.57 2cqi h LEU 26 N 0.25 0.17 -0.05 1.44 3.38 -1.35 0.47 115.31 119.62 2cqi h LEU 26 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2cqi h LEU 26 Cb 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cqi h LEU 26 CO -0.11 0.12 -0.01 1.56 0.09 0.00 0.00 178.44 180.09 2cqi h GLN 27 N 0.20 0.09 -0.27 1.13 1.08 -0.28 0.55 115.11 117.61 2cqi h GLN 27 Ca 0.07 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 2cqi h GLN 27 Cb 0.05 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2cqi h GLN 27 CO -0.01 0.42 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.13 2cqi h LEU 28 N -0.24 0.54 -0.76 1.46 3.38 -0.93 -2.96 115.31 115.80 2cqi h LEU 28 Ca 0.01 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2cqi h LEU 28 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2cqi h LEU 28 CO 0.00 0.80 -0.43 -0.26 0.09 0.00 0.00 178.44 178.64 2cqi h PHE 29 N 0.28 0.49 -0.96 1.13 -1.00 -0.95 -3.05 116.94 112.89 2cqi h PHE 29 Ca 0.07 -0.14 0.06 0.00 2.81 0.00 0.00 57.97 60.76 2cqi h PHE 29 Cb 0.57 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 39.97 2cqi h PHE 29 CO 0.05 0.78 0.61 1.03 -1.61 0.00 0.00 178.31 179.18 2cqi h SER 30 N 0.34 0.98 -0.69 2.17 0.87 0.21 -0.73 113.55 116.70 2cqi h SER 30 Ca 0.03 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.76 2cqi h SER 30 Cb 0.90 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 2cqi h SER 30 CO 0.08 0.63 0.48 1.56 -0.53 0.00 0.00 176.83 179.05 2cqi h GLN 31 N 1.12 0.21 0.06 2.24 4.20 -1.40 -2.23 115.11 119.31 2cqi h GLN 31 Ca 0.41 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.94 2cqi h GLN 31 Cb 0.14 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2cqi h GLN 31 CO -0.17 0.14 -0.81 0.82 -0.67 0.00 0.00 178.83 178.14 2cqi h ILE 32 N 0.22 1.35 -2.69 2.54 2.04 -1.30 -3.50 117.51 116.17 2cqi h ILE 32 Ca 0.34 -2.37 0.11 0.00 1.00 0.00 0.00 64.86 63.94 2cqi h ILE 32 Cb 1.01 2.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.96 2cqi h ILE 32 CO -0.07 0.60 0.37 -0.83 0.00 0.00 0.00 178.15 178.22 2cqi s GLY 33 N -4.60 -0.07 0.07 5.37 0.00 -0.57 -4.98 107.32 102.54 2cqi s GLY 33 Ca -0.20 -0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 2cqi s GLY 33 CO 0.72 0.14 1.39 2.56 0.00 0.00 0.00 173.10 177.91 2cqi s PRO 34 N -3.31 4.31 -0.27 2.90 0.04 -1.26 -3.74 135.00 133.67 2cqi s PRO 34 Ca 0.13 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2cqi s PRO 34 Cb -0.04 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 2cqi s PRO 34 CO 0.06 -0.48 0.21 0.00 0.04 0.00 0.00 177.00 176.82 2cqi h LYS 36 N 8.20 -0.27 -1.81 0.00 1.63 0.06 -3.47 116.57 120.91 2cqi h LYS 36 Ca -0.35 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2cqi h LYS 36 Cb 1.18 0.06 -0.22 0.00 -0.60 0.00 0.00 32.23 32.66 2cqi h LYS 36 CO 0.58 -0.00 0.32 0.45 -3.45 0.00 0.00 179.45 177.34 2cqi s SER 37 N -5.15 -0.57 -0.07 4.20 0.15 -1.22 -5.03 113.70 106.03 2cqi s SER 37 Ca -0.15 0.83 0.03 0.00 0.70 0.00 0.00 55.95 57.36 2cqi s SER 37 Cb 0.03 0.75 0.01 0.00 -1.71 0.00 0.00 66.02 65.10 2cqi s SER 37 CO 0.61 -0.38 -0.14 0.00 1.20 0.00 0.00 173.24 174.54 2cqi s LYS 39 N 0.59 1.93 -0.30 0.00 2.20 -0.72 -4.95 119.74 118.50 2cqi s LYS 39 Ca -0.14 -1.15 -0.19 0.00 -0.36 0.00 0.00 55.97 54.12 2cqi s LYS 39 Cb -0.16 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 2cqi s LYS 39 CO 0.04 -0.58 0.57 1.41 -0.36 0.00 0.00 175.35 176.43 2cqi s MET 40 N 1.26 3.92 -0.22 4.03 -2.45 -1.26 -0.65 119.30 123.92 2cqi s MET 40 Ca -0.07 0.24 -0.05 0.00 -1.25 0.00 0.00 55.69 54.55 2cqi s MET 40 Cb -0.19 -3.71 -0.02 0.00 1.25 0.00 0.00 34.83 32.15 2cqi s MET 40 CO -0.06 -0.50 0.01 0.42 1.05 0.00 0.00 175.02 175.94 2cqi s ILE 41 N 2.47 3.90 -0.27 10.11 1.01 0.14 -4.97 121.20 133.59 2cqi s ILE 41 Ca 0.23 -0.32 0.12 0.00 0.00 0.00 0.00 60.65 60.68 2cqi s ILE 41 Cb -0.15 -2.79 0.47 0.00 0.01 0.00 0.00 42.46 40.00 2cqi s ILE 41 CO 0.11 0.40 1.17 0.35 0.00 0.00 0.00 174.94 176.97 2cqi n THR 42 N 4.59 2.09 0.05 2.92 -2.24 -1.26 -1.93 114.28 118.50 2cqi n THR 42 Ca -0.17 -3.69 -0.13 0.00 -2.27 0.00 0.00 64.05 57.79 2cqi n THR 42 Cb 0.51 -0.37 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 2cqi n THR 42 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2cqi h GLU 43 N 2.14 -0.17 -5.67 -0.78 4.39 -1.95 -3.38 114.58 109.17 2cqi h GLU 43 Ca 0.19 0.01 -0.38 0.00 0.34 0.00 0.00 59.36 59.52 2cqi h GLU 43 Cb 1.44 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.07 2cqi h GLU 43 CO 0.52 0.24 1.09 -1.01 -1.16 0.00 0.00 179.01 178.69 2cqi s HIS 44 N -4.29 2.04 -0.09 4.33 3.76 -1.26 -4.74 115.29 115.03 2cqi s HIS 44 Ca -0.15 0.19 0.30 0.00 -0.15 0.00 0.00 55.06 55.25 2cqi s HIS 44 Cb 0.02 -4.17 1.31 0.00 1.11 0.00 0.00 32.58 30.85 2cqi s HIS 44 CO 0.59 -1.56 1.89 1.79 -0.85 0.00 0.00 174.74 176.61 2cqi h THR 45 N 6.62 0.00 0.02 1.30 1.35 -1.96 -3.05 112.91 117.19 2cqi h THR 45 Ca 0.19 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2cqi h THR 45 Cb 0.97 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2cqi h THR 45 CO 1.26 0.00 -0.01 0.28 -0.25 0.00 0.00 175.52 176.80 2cqi h SER 46 N 0.00 -0.02 -1.95 5.36 0.02 -1.96 -3.45 113.55 111.55 2cqi h SER 46 Ca 0.00 -0.22 -0.53 0.00 -0.84 0.00 0.00 61.79 60.20 2cqi h SER 46 Cb 0.36 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 2cqi h SER 46 CO 0.00 0.21 -0.53 0.20 -1.14 0.00 0.00 176.83 175.56 2cqi s ASN 47 N -5.39 4.87 0.39 3.07 0.01 -1.15 -5.08 114.94 111.65 2cqi s ASN 47 Ca -0.14 -0.64 -0.24 0.00 -0.71 0.00 0.00 52.86 51.12 2cqi s ASN 47 Cb 0.04 -0.87 -0.12 0.00 0.41 0.00 0.00 41.25 40.71 2cqi s ASN 47 CO 0.66 -0.24 0.79 -0.90 -1.51 0.00 0.00 177.10 175.90 2cqi n ASP 48 N -1.16 0.22 -4.02 -1.22 5.68 -1.26 -4.82 116.55 109.97 2cqi n ASP 48 Ca -0.04 1.01 -0.30 0.00 -0.50 0.00 0.00 54.79 54.96 2cqi n ASP 48 Cb 0.60 -1.22 0.23 0.00 -1.14 0.00 0.00 41.12 39.59 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 -1.72 -0.87 0.03 0.11 0.04 -1.26 -4.66 135.00 126.68 2cqi s PRO 49 Ca 0.63 0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 2cqi s PRO 49 Cb -0.62 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.33 2cqi s PRO 49 CO 0.58 -3.50 0.42 1.52 0.04 0.00 0.00 177.00 176.06 2cqi s TYR 50 N -2.99 -0.29 0.04 0.56 1.13 -0.82 -3.19 117.35 111.79 2cqi s TYR 50 Ca 0.70 0.30 -0.00 0.00 -1.41 0.00 0.00 57.07 56.65 2cqi s TYR 50 Cb -0.12 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 2cqi s TYR 50 CO 0.56 -0.56 -0.03 0.00 -2.51 0.00 0.00 175.55 173.01 2cqi s PHE 52 N -2.66 3.22 -0.19 0.00 0.08 0.17 -0.47 117.98 118.14 2cqi s PHE 52 Ca -0.04 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.22 2cqi s PHE 52 Cb -0.01 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.65 2cqi s PHE 52 CO -0.05 0.47 -0.06 0.08 -0.10 0.00 0.00 175.22 175.55 2cqi s VAL 53 N -0.77 1.30 -0.12 -0.44 1.01 -0.53 -1.75 120.40 119.10 2cqi s VAL 53 Ca 0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2cqi s VAL 53 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2cqi s VAL 53 CO 0.02 0.09 0.02 -0.70 0.00 0.00 0.00 175.10 174.54 2cqi s GLU 54 N 1.54 3.38 0.33 2.72 2.12 -0.89 -1.40 118.70 126.50 2cqi s GLU 54 Ca -0.01 -0.39 0.08 0.00 0.36 0.00 0.00 54.97 55.01 2cqi s GLU 54 Cb -0.16 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 2cqi s GLU 54 CO -0.08 0.53 0.24 -0.06 -0.54 0.00 0.00 175.26 175.35 2cqi s PHE 55 N -0.39 2.85 0.10 5.30 0.40 0.00 0.75 117.98 126.99 2cqi s PHE 55 Ca 0.08 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.96 2cqi s PHE 55 Cb -0.12 -1.72 -0.17 0.00 0.51 0.00 0.00 43.02 41.52 2cqi s PHE 55 CO 0.02 0.26 1.28 1.88 0.70 0.00 0.00 175.22 179.36 2cqi h TYR 56 N 1.36 1.07 -2.08 0.36 -1.99 -1.87 -3.43 116.97 110.40 2cqi h TYR 56 Ca -0.45 -0.49 -0.60 0.00 2.00 0.00 0.00 58.73 59.19 2cqi h TYR 56 Cb 1.25 -0.16 -0.13 0.00 2.00 0.00 0.00 36.73 39.70 2cqi h TYR 56 CO 0.56 1.33 -0.70 -1.21 -0.00 0.00 0.00 178.16 178.14 2cqi s GLU 57 N -3.68 1.87 0.16 4.88 0.41 -1.26 -5.05 118.70 116.04 2cqi s GLU 57 Ca -0.10 -1.77 -0.02 0.00 -0.41 0.00 0.00 54.97 52.67 2cqi s GLU 57 Cb 0.08 -1.83 0.02 0.00 -1.78 0.00 0.00 34.13 30.62 2cqi s GLU 57 CO 0.91 0.25 1.41 1.25 -0.49 0.00 0.00 175.26 178.58 2cqi h HIS 58 N 2.06 0.58 -0.92 1.61 -0.00 -1.89 -3.00 115.15 113.59 2cqi h HIS 58 Ca -0.42 -0.27 0.02 0.00 -0.00 0.00 0.00 60.37 59.71 2cqi h HIS 58 Cb 1.25 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.53 2cqi h HIS 58 CO 0.76 1.04 0.61 0.07 -0.00 0.00 0.00 177.93 180.41 2cqi h ARG 59 N 0.28 1.17 -0.22 5.26 0.11 -1.96 -1.33 114.38 117.70 2cqi h ARG 59 Ca -0.04 -0.07 -0.05 0.00 0.10 0.00 0.00 59.98 59.92 2cqi h ARG 59 Cb 1.36 -0.26 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 2cqi h ARG 59 CO 0.13 0.78 -0.06 -0.44 0.10 0.00 0.00 179.97 180.48 2cqi h ASP 60 N 1.21 0.43 -0.69 0.08 3.32 -1.96 -1.14 116.42 117.67 2cqi h ASP 60 Ca 0.35 -0.37 0.05 0.00 0.02 0.00 0.00 57.03 57.08 2cqi h ASP 60 Cb -0.07 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 2cqi h ASP 60 CO -0.10 0.70 0.40 0.00 -1.72 0.00 0.00 179.24 178.53 2cqi h ALA 61 N 0.74 0.92 -0.39 3.45 0.00 -1.33 0.21 119.26 122.85 2cqi h ALA 61 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2cqi h ALA 61 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2cqi h ALA 61 CO 0.02 0.11 -0.21 0.00 0.00 0.00 0.00 179.25 179.17 2cqi h ALA 62 N 1.34 0.55 -0.37 0.00 0.00 -1.20 0.11 119.26 119.69 2cqi h ALA 62 Ca 0.30 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2cqi h ALA 62 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2cqi h ALA 62 CO -0.16 0.51 0.09 0.00 0.00 0.00 0.00 179.25 179.69 2cqi h ALA 63 N 0.81 0.49 -0.10 0.00 0.00 -0.70 -2.31 119.26 117.44 2cqi h ALA 63 Ca 0.09 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 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 0.16 -0.61 0.00 0.00 0.00 0.00 179.25 178.86 2cqi h ALA 64 N 0.93 0.76 0.10 0.00 0.00 -0.59 -2.05 119.26 118.42 2cqi h ALA 64 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2cqi h ALA 64 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2cqi h ALA 64 CO 0.00 0.72 -0.05 1.25 0.00 0.00 0.00 179.25 181.18 2cqi h LEU 65 N 0.26 -0.12 -0.40 0.00 5.85 -0.63 0.69 115.31 120.97 2cqi h LEU 65 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2cqi h LEU 65 Cb 1.14 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2cqi h LEU 65 CO 0.10 -0.08 -0.16 0.00 -0.34 0.00 0.00 178.44 177.96 2cqi h ALA 66 N 0.76 0.56 -0.11 1.25 0.00 -1.45 1.58 119.26 121.84 2cqi h ALA 66 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2cqi h ALA 66 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2cqi h ALA 66 CO 0.02 0.48 -0.34 0.00 0.00 0.00 0.00 179.25 179.42 2cqi h ALA 67 N 0.82 1.22 0.00 0.00 0.00 -1.23 -2.87 119.26 117.20 2cqi h ALA 67 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2cqi h ALA 67 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2cqi h ALA 67 CO 0.05 0.53 -1.13 -1.33 0.00 0.00 0.00 179.25 177.37 2cqi n MET 68 N -4.09 0.22 -1.55 0.00 2.81 0.24 -4.70 117.12 110.05 2cqi n MET 68 Ca -0.01 -0.03 -0.42 0.00 -1.81 0.00 0.00 57.70 55.43 2cqi n MET 68 Cb 0.42 -1.54 -0.04 0.00 -0.71 0.00 0.00 33.22 31.35 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 -1.80 2.64 -2.38 7.83 2.85 0.54 -1.41 115.26 123.53 2cqi n ASN 69 Ca 0.02 -0.01 -0.16 0.00 -0.11 0.00 0.00 54.58 54.32 2cqi n ASN 69 Cb 0.41 -1.49 0.04 0.00 1.24 0.00 0.00 39.78 39.98 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 6.01 -0.08 3.87 8.20 0.00 0.24 -4.85 105.19 118.59 2cqi n GLY 70 Ca 0.36 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.65 3.67 -0.36 1.61 3.52 -0.50 -4.68 118.95 116.56 2cqi s ARG 71 Ca 0.32 0.68 -0.17 0.00 -0.13 0.00 0.00 55.73 56.43 2cqi s ARG 71 Cb -0.14 -2.16 -0.00 0.00 -1.56 0.00 0.00 34.95 31.09 2cqi s ARG 71 CO 0.39 -0.41 0.45 0.15 -0.81 0.00 0.00 175.30 175.07 2cqi s LYS 72 N -4.79 3.49 -0.09 5.12 -0.14 -1.26 -0.07 119.74 122.00 2cqi s LYS 72 Ca 0.54 -0.37 -0.01 0.00 -1.36 0.00 0.00 55.97 54.76 2cqi s LYS 72 Cb -0.11 -3.84 0.03 0.00 -1.68 0.00 0.00 37.83 32.23 2cqi s LYS 72 CO 0.46 -0.65 -0.00 0.42 -0.76 0.00 0.00 175.35 174.82 2cqi s ILE 73 N 2.22 0.45 -1.26 2.17 1.01 -0.42 -4.81 121.20 120.56 2cqi s ILE 73 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2cqi s ILE 73 Cb -0.16 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2cqi s ILE 73 CO 0.13 0.21 0.90 0.18 0.00 0.00 0.00 174.94 176.36 2cqi n LEU 74 N 5.12 -3.05 0.00 2.97 4.77 -1.26 -1.42 117.00 124.13 2cqi n LEU 74 Ca -0.08 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2cqi n LEU 74 Cb 0.50 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 2cqi n LEU 74 CO 0.11 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2cqi n GLY 75 N -1.73 0.52 3.21 -0.72 0.00 -1.26 -4.96 105.19 100.26 2cqi n GLY 75 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.49 3.12 -0.17 1.61 2.20 -0.51 -5.09 119.74 120.41 2cqi s LYS 76 Ca 0.00 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.53 2cqi s LYS 76 Cb 0.00 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 2cqi s LYS 76 CO 0.00 -0.05 1.26 -2.00 -0.36 0.00 0.00 175.35 174.20 2cqi s GLU 77 N 0.94 4.23 -0.08 4.03 2.12 -1.26 -1.30 118.70 127.38 2cqi s GLU 77 Ca -0.03 1.65 -0.15 0.00 0.36 0.00 0.00 54.97 56.80 2cqi s GLU 77 Cb -0.15 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 2cqi s GLU 77 CO -0.03 -0.70 0.38 0.14 -0.54 0.00 0.00 175.26 174.51 2cqi s VAL 78 N 3.49 5.17 -0.25 3.70 -7.23 0.90 -4.70 120.40 121.48 2cqi s VAL 78 Ca 0.54 0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 61.35 2cqi s VAL 78 Cb -0.21 -3.70 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 2cqi s VAL 78 CO 0.14 0.46 0.25 -1.59 -0.31 0.00 0.00 175.10 174.06 2cqi s LYS 79 N -0.22 4.04 -0.12 4.82 -2.85 0.72 -0.59 119.74 125.55 2cqi s LYS 79 Ca 0.22 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 55.07 2cqi s LYS 79 Cb -0.15 -3.60 -0.00 0.00 -2.06 0.00 0.00 37.83 32.02 2cqi s LYS 79 CO 0.10 -0.09 -0.19 0.08 0.10 0.00 0.00 175.35 175.34 2cqi s VAL 80 N 1.51 2.46 0.15 1.79 1.01 -1.26 -0.51 120.40 125.55 2cqi s VAL 80 Ca 0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2cqi s VAL 80 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2cqi s VAL 80 CO 0.08 0.54 0.17 0.21 0.00 0.00 0.00 175.10 176.10 2cqi s ASN 81 N 0.43 0.17 -0.05 3.32 3.84 -0.81 -4.58 114.94 117.26 2cqi s ASN 81 Ca -0.14 -1.08 -0.30 0.00 0.21 0.00 0.00 52.86 51.55 2cqi s ASN 81 Cb -0.17 0.37 -0.06 0.00 -0.55 0.00 0.00 41.25 40.84 2cqi s ASN 81 CO 0.06 -0.82 1.67 0.26 -2.79 0.00 0.00 177.10 175.49 2cqi s TRP 82 N -4.03 1.94 -0.12 0.43 0.52 -1.26 -0.31 118.94 116.12 2cqi s TRP 82 Ca 0.23 0.15 -0.23 0.00 0.02 0.00 0.00 56.10 56.26 2cqi s TRP 82 Cb 0.05 -3.94 -0.21 0.00 -1.15 0.00 0.00 33.47 28.23 2cqi s TRP 82 CO 0.02 -3.97 0.70 0.00 0.02 0.00 0.00 176.95 173.73 2cqi h ALA 83 N 9.59 -0.02 -1.79 0.98 0.00 -1.64 -3.42 119.26 122.96 2cqi h ALA 83 Ca -0.40 -0.37 -0.66 0.00 0.00 0.00 0.00 54.91 53.47 2cqi h ALA 83 Cb 1.18 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 2cqi h ALA 83 CO 0.95 -0.05 0.70 0.99 0.00 0.00 0.00 179.25 181.84 2cqi s THR 84 N -2.40 4.55 0.53 0.00 2.01 -1.25 -5.01 115.64 114.06 2cqi s THR 84 Ca -0.15 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 60.62 2cqi s THR 84 Cb -0.02 -4.73 -0.06 0.00 0.01 0.00 0.00 72.50 67.69 2cqi s THR 84 CO 0.56 -1.48 1.08 0.42 -0.69 0.00 0.00 174.62 174.51 2cqi s THR 85 N 3.31 3.50 0.87 -0.82 -4.23 -1.26 -4.66 115.64 112.34 2cqi s THR 85 Ca 0.28 0.89 -0.15 0.00 -1.18 0.00 0.00 61.69 61.53 2cqi s THR 85 Cb -0.11 -3.35 0.21 0.00 1.34 0.00 0.00 72.50 70.59 2cqi s THR 85 CO -0.01 -0.24 0.77 -0.81 -0.54 0.00 0.00 174.62 173.79 2cqi n PRO 86 N -1.30 -2.52 -4.95 3.99 -0.04 -1.26 -5.06 135.00 123.85 2cqi n PRO 86 Ca 0.10 -1.23 -0.31 0.00 -0.04 0.00 0.00 63.50 62.03 2cqi n PRO 86 Cb 0.52 -1.15 -0.14 0.00 -0.04 0.00 0.00 33.50 32.68 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 -3.57 3.35 -0.03 3.54 0.15 -1.26 -5.13 113.70 110.74 2cqi s SER 87 Ca 0.50 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.70 2cqi s SER 87 Cb -0.05 -0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 2cqi s SER 87 CO 0.38 0.28 -0.14 -0.55 1.20 0.00 0.00 173.24 174.41 2cqi s SER 88 N -1.08 4.03 -0.36 5.45 0.15 -1.26 -5.09 113.70 115.54 2cqi s SER 88 Ca 0.12 -0.22 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 2cqi s SER 88 Cb -0.10 -0.83 -0.00 0.00 -1.71 0.00 0.00 66.02 63.38 2cqi s SER 88 CO 0.02 0.33 0.38 -1.10 1.20 0.00 0.00 173.24 174.07 2cqi s GLN 89 N -0.86 3.46 0.26 5.44 -1.52 -1.26 -4.96 119.66 120.21 2cqi s GLN 89 Ca 0.12 -0.50 -0.04 0.00 -1.95 0.00 0.00 55.36 52.99 2cqi s GLN 89 Cb -0.11 -3.84 0.52 0.00 -0.22 0.00 0.00 33.01 29.37 2cqi s GLN 89 CO 0.02 -0.60 1.63 1.57 -0.25 0.00 0.00 175.29 177.66 2cqi h LYS 90 N 8.52 0.11 0.01 2.91 2.10 -2.06 -2.46 116.57 125.70 2cqi h LYS 90 Ca -0.29 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2cqi h LYS 90 Cb 1.14 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2cqi h LYS 90 CO 0.71 0.07 -0.01 0.66 -2.00 0.00 0.00 179.45 178.89 2cqi h SER 91 N 0.12 -0.02 -1.77 7.07 4.64 -2.07 -3.51 113.55 118.02 2cqi h SER 91 Ca 0.46 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2cqi h SER 91 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2cqi h SER 91 CO -0.69 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 2cqi n GLY 92 N 1.56 -0.93 0.00 -0.77 0.00 -0.93 -4.90 105.19 99.23 2cqi n GLY 92 Ca -0.07 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.43 2cqi n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqi n PRO 93 N -1.00 0.48 -0.26 1.61 -0.04 -1.26 -4.07 135.00 130.47 2cqi n PRO 93 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2cqi n PRO 93 Cb 0.00 -1.38 0.10 0.00 -0.04 0.00 0.00 33.50 32.19 2cqi n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqi n SER 94 N -0.88 -0.26 -4.71 3.54 2.88 -1.26 -4.08 113.62 108.85 2cqi n SER 94 Ca 0.09 1.25 -0.42 0.00 -1.33 0.00 0.00 58.87 58.46 2cqi n SER 94 Cb 0.04 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.09 2cqi n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqi s SER 95 N -5.19 7.35 0.00 -3.46 0.15 -1.26 -5.26 113.70 106.03 2cqi s SER 95 Ca -0.11 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.28 2cqi s SER 95 Cb 0.20 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2cqi s SER 95 CO 0.57 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.36