#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 -0.64 -0.17 1.61 0.15 -1.26 -5.17 113.70 108.22 2cqi s SER -5 Ca 0.00 0.70 -0.14 0.00 0.70 0.00 0.00 55.95 57.21 2cqi s SER -5 Cb 0.00 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2cqi s SER -5 CO 0.00 -0.61 0.44 -0.55 1.20 0.00 0.00 173.24 173.72 2cqi s SER -4 N -1.20 -0.48 0.00 5.45 0.15 -1.26 -5.03 113.70 111.34 2cqi s SER -4 Ca -0.11 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2cqi s SER -4 Cb -0.00 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 2cqi s SER -4 CO 0.10 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2cqi n GLY -3 N 3.18 1.53 3.38 9.45 0.00 -1.26 -5.07 105.19 116.40 2cqi n GLY -3 Ca -0.16 -0.41 -0.54 0.00 0.00 0.00 0.00 46.02 44.92 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 1.58 -0.12 1.61 2.88 -1.26 -4.80 113.62 113.51 2cqi n SER -2 Ca 0.00 0.49 -0.24 0.00 -1.33 0.00 0.00 58.87 57.79 2cqi n SER -2 Cb 0.00 -1.13 -0.11 0.00 -0.75 0.00 0.00 64.21 62.22 2cqi n SER -2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cqi n SER -1 N 9.10 1.97 -2.56 -3.46 7.64 -1.26 -5.09 113.62 119.96 2cqi n SER -1 Ca 0.47 0.15 -0.03 0.00 1.01 0.00 0.00 58.87 60.47 2cqi n SER -1 Cb 0.13 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.63 2cqi n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqi n GLY 0 N 1.71 -4.72 2.98 0.23 0.00 -1.26 -4.99 105.19 99.14 2cqi n GLY 0 Ca -0.48 1.09 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 2cqi n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cqi s MET 1 N -1.07 1.86 -0.35 1.61 -1.94 -1.26 -5.07 119.30 113.08 2cqi s MET 1 Ca -0.15 -2.38 -0.24 0.00 -1.71 0.00 0.00 55.69 51.21 2cqi s MET 1 Cb 0.01 -3.32 0.01 0.00 2.01 0.00 0.00 34.83 33.54 2cqi s MET 1 CO 0.73 -1.06 0.84 0.00 -0.01 0.00 0.00 175.02 175.52 2cqi s MET 2 N 0.11 3.84 0.09 2.03 0.00 -1.26 -5.02 119.30 119.09 2cqi s MET 2 Ca 0.15 0.49 -0.10 0.00 0.00 0.00 0.00 55.69 56.23 2cqi s MET 2 Cb -0.23 -3.79 0.00 0.00 0.00 0.00 0.00 34.83 30.81 2cqi s MET 2 CO -0.03 -0.85 0.21 -1.21 0.00 0.00 0.00 175.02 173.15 2cqi s GLU 3 N 3.21 0.86 -0.97 3.16 2.02 -1.26 -5.07 118.70 120.64 2cqi s GLU 3 Ca 0.34 -0.91 -0.25 0.00 0.02 0.00 0.00 54.97 54.18 2cqi s GLU 3 Cb -0.13 0.35 -0.11 0.00 0.10 0.00 0.00 34.13 34.34 2cqi s GLU 3 CO 0.16 -0.28 2.08 0.16 0.02 0.00 0.00 175.26 177.41 2cqi s ASP 4 N -2.80 4.54 -0.08 -0.19 1.47 -1.26 -4.58 116.67 113.78 2cqi s ASP 4 Ca 0.04 -0.80 -0.11 0.00 1.18 0.00 0.00 52.55 52.86 2cqi s ASP 4 Cb 0.04 -2.57 -0.04 0.00 -0.34 0.00 0.00 42.92 40.01 2cqi s ASP 4 CO -0.11 -3.43 -0.21 -0.67 0.68 0.00 0.00 175.17 171.43 2cqi n ASP 5 N 16.12 1.59 0.00 2.11 2.03 -1.26 -5.06 116.55 132.08 2cqi n ASP 5 Ca 0.43 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2cqi n ASP 5 Cb 0.46 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2cqi n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cqi n GLY 6 N 2.23 -1.81 3.83 0.27 0.00 -1.26 -5.16 105.19 103.29 2cqi n GLY 6 Ca -0.10 0.80 -0.37 0.00 0.00 0.00 0.00 46.02 46.35 2cqi n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cqi s GLN 7 N 0.00 4.00 0.19 1.61 -0.21 -1.26 -5.05 119.66 118.94 2cqi s GLN 7 Ca 0.00 0.50 -0.30 0.00 0.02 0.00 0.00 55.36 55.58 2cqi s GLN 7 Cb 0.00 -3.15 -0.09 0.00 1.00 0.00 0.00 33.01 30.78 2cqi s GLN 7 CO 0.00 0.62 1.31 -1.25 -2.12 0.00 0.00 175.29 173.85 2cqi s PRO 8 N -1.35 4.39 0.00 2.91 0.04 -1.26 -4.92 135.00 134.81 2cqi s PRO 8 Ca 0.29 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2cqi s PRO 8 Cb -0.17 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2cqi s PRO 8 CO 0.17 -0.26 0.52 0.54 0.04 0.00 0.00 177.00 178.00 2cqi n ARG 9 N 2.77 0.48 -5.07 4.56 1.74 -1.26 -4.55 116.66 115.33 2cqi n ARG 9 Ca 0.07 -0.65 -0.32 0.00 -0.77 0.00 0.00 57.85 56.17 2cqi n ARG 9 Cb 0.43 -0.79 -0.15 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.27 2.52 -0.02 0.55 2.01 -1.26 -0.20 115.64 118.97 2cqi s THR 10 Ca 0.00 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.17 2cqi s THR 10 Cb 0.00 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 2cqi s THR 10 CO 0.00 0.57 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.52 2cqi s LEU 11 N -0.22 2.03 -0.21 4.42 1.43 0.99 -1.90 118.68 125.23 2cqi s LEU 11 Ca -0.01 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 2cqi s LEU 11 Cb -0.13 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2cqi s LEU 11 CO 0.03 0.25 0.32 -0.47 0.23 0.00 0.00 176.35 176.72 2cqi s TYR 12 N -0.44 3.36 -0.24 0.29 6.14 0.44 -0.85 117.35 126.05 2cqi s TYR 12 Ca 0.06 0.50 -0.05 0.00 0.64 0.00 0.00 57.07 58.23 2cqi s TYR 12 Cb -0.09 -2.44 -0.01 0.00 0.42 0.00 0.00 41.96 39.84 2cqi s TYR 12 CO -0.00 0.03 0.01 0.08 0.64 0.00 0.00 175.55 176.30 2cqi s VAL 13 N 1.18 3.71 0.42 3.14 1.01 0.10 -1.73 120.40 128.23 2cqi s VAL 13 Ca 0.16 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.75 2cqi s VAL 13 Cb -0.14 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 2cqi s VAL 13 CO 0.07 0.34 0.01 -0.83 0.00 0.00 0.00 175.10 174.69 2cqi s GLY 14 N 1.52 2.56 -0.90 4.51 0.00 0.74 -0.30 107.32 115.44 2cqi s GLY 14 Ca 0.05 -2.05 -0.00 0.00 0.00 0.00 0.00 44.72 42.72 2cqi s GLY 14 CO -0.01 -2.10 0.75 -2.01 0.00 0.00 0.00 173.10 169.74 2cqi n ASN 15 N -1.00 -2.06 -4.87 1.64 5.15 -1.20 -0.87 115.26 112.06 2cqi n ASN 15 Ca -0.07 -0.47 -0.37 0.00 -0.60 0.00 0.00 54.58 53.08 2cqi n ASN 15 Cb 0.67 -3.99 -0.06 0.00 -0.53 0.00 0.00 39.78 35.87 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 -5.28 4.41 0.37 1.20 1.43 -1.14 -4.08 118.68 115.58 2cqi s LEU 16 Ca 0.00 0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 53.51 2cqi s LEU 16 Cb -0.00 -2.39 -0.09 0.00 0.03 0.00 0.00 46.19 43.74 2cqi s LEU 16 CO 0.55 0.34 1.05 -0.55 0.23 0.00 0.00 176.35 177.97 2cqi s SER 17 N -1.21 6.92 0.66 2.29 0.15 -1.26 -4.03 113.70 117.22 2cqi s SER 17 Ca 0.21 2.06 0.22 0.00 0.70 0.00 0.00 55.95 59.14 2cqi s SER 17 Cb -0.14 -2.59 1.19 0.00 -1.71 0.00 0.00 66.02 62.77 2cqi s SER 17 CO 0.10 -0.38 1.67 0.03 1.20 0.00 0.00 173.24 175.87 2cqi h ARG 18 N 2.83 0.00 0.04 5.44 3.08 -1.99 0.88 114.38 124.65 2cqi h ARG 18 Ca -0.48 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.32 2cqi h ARG 18 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 2cqi h ARG 18 CO 0.63 0.00 -1.25 -0.44 -1.07 0.00 0.00 179.97 177.84 2cqi h ASP 19 N 0.00 0.12 -3.09 7.04 3.32 -1.99 -3.46 116.42 118.36 2cqi h ASP 19 Ca 0.00 -0.15 -0.56 0.00 0.02 0.00 0.00 57.03 56.34 2cqi h ASP 19 Cb 1.03 -0.04 0.09 0.00 0.22 0.00 0.00 39.33 40.63 2cqi h ASP 19 CO -0.00 1.12 0.71 0.52 -1.72 0.00 0.00 179.24 179.88 2cqi n VAL 20 N -3.33 1.20 -4.48 -1.35 0.31 0.31 -5.00 118.33 105.98 2cqi n VAL 20 Ca -0.07 -0.30 -0.23 0.00 -0.01 0.00 0.00 64.34 63.73 2cqi n VAL 20 Cb 0.99 -1.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.26 1.04 0.21 2.52 -4.23 -1.26 -4.88 115.64 108.78 2cqi s THR 21 Ca 0.64 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.06 2cqi s THR 21 Cb -0.57 -2.66 0.17 0.00 1.34 0.00 0.00 72.50 70.79 2cqi s THR 21 CO 0.52 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.35 2cqi h GLU 22 N 2.00 1.14 -0.48 3.99 4.22 -1.95 -1.85 114.58 121.64 2cqi h GLU 22 Ca -0.40 -0.14 -0.07 0.00 0.08 0.00 0.00 59.36 58.83 2cqi h GLU 22 Cb 1.25 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2cqi h GLU 22 CO 0.67 0.85 0.02 0.28 -2.18 0.00 0.00 179.01 178.64 2cqi h VAL 23 N 1.13 1.26 0.07 0.32 2.07 -1.96 -2.00 116.25 117.13 2cqi h VAL 23 Ca 0.28 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2cqi h VAL 23 Cb 0.05 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2cqi h VAL 23 CO -0.04 0.36 -0.04 0.25 0.02 0.00 0.00 177.57 178.12 2cqi h LEU 24 N 0.70 -0.08 -0.30 2.57 6.46 -1.90 -0.74 115.31 122.02 2cqi h LEU 24 Ca 0.14 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 2cqi h LEU 24 Cb 0.48 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2cqi h LEU 24 CO 0.02 -0.05 0.13 0.40 -0.62 0.00 0.00 178.44 178.31 2cqi h ILE 25 N -0.11 0.95 -0.12 4.05 1.08 -1.31 -1.49 117.51 120.55 2cqi h ILE 25 Ca -0.01 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2cqi h ILE 25 Cb 0.08 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2cqi h ILE 25 CO 0.02 0.05 0.05 -0.07 -0.69 0.00 0.00 178.15 177.50 2cqi h LEU 26 N 0.27 0.15 -0.02 1.44 3.38 -1.19 -0.61 115.31 118.72 2cqi h LEU 26 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2cqi h LEU 26 Cb 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2cqi h LEU 26 CO -0.12 0.14 -0.01 1.56 0.09 0.00 0.00 178.44 180.11 2cqi h GLN 27 N 0.17 0.04 -0.24 1.13 1.08 -0.15 0.43 115.11 117.56 2cqi h GLN 27 Ca 0.04 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2cqi h GLN 27 Cb 0.04 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2cqi h GLN 27 CO -0.00 0.42 0.07 -0.07 -0.95 0.00 0.00 178.83 178.29 2cqi h LEU 28 N -0.35 0.36 -0.79 1.46 3.38 -0.99 -2.77 115.31 115.62 2cqi h LEU 28 Ca 0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 2cqi h LEU 28 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2cqi h LEU 28 CO 0.00 0.49 -0.38 -0.26 0.09 0.00 0.00 178.44 178.38 2cqi h PHE 29 N 0.22 0.53 -0.96 1.13 -1.00 -1.16 -3.01 116.94 112.69 2cqi h PHE 29 Ca 0.08 -0.14 0.07 0.00 2.81 0.00 0.00 57.97 60.78 2cqi h PHE 29 Cb 0.26 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.64 2cqi h PHE 29 CO 0.01 0.77 0.62 1.03 -1.61 0.00 0.00 178.31 179.13 2cqi h SER 30 N 0.38 0.98 -0.57 2.17 0.87 0.04 -0.45 113.55 116.98 2cqi h SER 30 Ca 0.04 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.76 2cqi h SER 30 Cb 0.84 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 2cqi h SER 30 CO 0.07 0.63 0.41 1.56 -0.53 0.00 0.00 176.83 178.96 2cqi h GLN 31 N 1.11 0.05 0.01 2.24 4.20 -1.35 -2.47 115.11 118.90 2cqi h GLN 31 Ca 0.42 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.98 2cqi h GLN 31 Cb 0.19 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2cqi h GLN 31 CO -0.16 0.03 -0.76 0.82 -0.67 0.00 0.00 178.83 178.08 2cqi h ILE 32 N 0.05 1.28 -2.86 2.54 2.04 -1.24 -3.50 117.51 115.82 2cqi h ILE 32 Ca 0.27 -2.27 0.07 0.00 1.00 0.00 0.00 64.86 63.93 2cqi h ILE 32 Cb 1.02 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 39.81 2cqi h ILE 32 CO -0.02 0.47 0.31 -0.83 0.00 0.00 0.00 178.15 178.08 2cqi s GLY 33 N -4.61 0.05 0.02 5.37 0.00 -0.67 -4.97 107.32 102.52 2cqi s GLY 33 Ca -0.24 -0.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 2cqi s GLY 33 CO 0.65 0.05 1.43 2.56 0.00 0.00 0.00 173.10 177.79 2cqi s PRO 34 N -3.17 4.28 -0.37 2.90 0.04 -1.26 -3.80 135.00 133.61 2cqi s PRO 34 Ca 0.13 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 2cqi s PRO 34 Cb -0.05 -3.53 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 2cqi s PRO 34 CO 0.08 -0.57 0.35 0.00 0.04 0.00 0.00 177.00 176.89 2cqi h LYS 36 N 8.55 -0.05 -1.55 0.00 1.63 0.74 -3.46 116.57 122.43 2cqi h LYS 36 Ca -0.29 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.60 2cqi h LYS 36 Cb 1.14 0.01 -0.24 0.00 -0.60 0.00 0.00 32.23 32.54 2cqi h LYS 36 CO 0.71 -0.04 0.54 -1.12 -3.45 0.00 0.00 179.45 176.09 2cqi s SER 37 N -5.16 -0.38 -0.07 4.20 0.01 -1.19 -5.01 113.70 106.10 2cqi s SER 37 Ca -0.14 0.51 0.03 0.00 1.31 0.00 0.00 55.95 57.66 2cqi s SER 37 Cb 0.11 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.80 2cqi s SER 37 CO 0.68 -0.27 -0.14 0.00 0.41 0.00 0.00 173.24 173.92 2cqi s LYS 39 N 0.61 1.90 -0.28 0.00 2.20 -0.68 -4.94 119.74 118.54 2cqi s LYS 39 Ca -0.15 -1.10 -0.21 0.00 -0.36 0.00 0.00 55.97 54.15 2cqi s LYS 39 Cb -0.16 -2.68 -0.01 0.00 -1.51 0.00 0.00 37.83 33.47 2cqi s LYS 39 CO 0.05 -0.57 0.65 1.41 -0.36 0.00 0.00 175.35 176.53 2cqi s MET 40 N 1.29 4.01 -0.16 4.03 -2.45 -1.26 -0.17 119.30 124.59 2cqi s MET 40 Ca -0.06 0.47 -0.03 0.00 -1.25 0.00 0.00 55.69 54.81 2cqi s MET 40 Cb -0.19 -3.69 -0.02 0.00 1.25 0.00 0.00 34.83 32.18 2cqi s MET 40 CO -0.06 -0.51 -0.05 0.42 1.05 0.00 0.00 175.02 175.87 2cqi s ILE 41 N 2.61 3.68 -0.10 10.11 1.01 0.15 -4.96 121.20 133.71 2cqi s ILE 41 Ca 0.27 -0.42 0.16 0.00 0.00 0.00 0.00 60.65 60.65 2cqi s ILE 41 Cb -0.15 -2.62 0.35 0.00 0.01 0.00 0.00 42.46 40.05 2cqi s ILE 41 CO 0.10 0.48 1.16 0.35 0.00 0.00 0.00 174.94 177.04 2cqi n THR 42 N 3.77 1.15 0.70 2.92 -2.24 -1.26 -1.70 114.28 117.62 2cqi n THR 42 Ca -0.18 -1.94 0.04 0.00 -2.27 0.00 0.00 64.05 59.71 2cqi n THR 42 Cb 0.52 0.26 0.15 0.00 -2.10 0.00 0.00 70.33 69.16 2cqi n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqi n GLU 43 N -0.50 2.08 -4.45 -0.78 -0.58 -1.26 -4.82 120.64 110.33 2cqi n GLU 43 Ca 0.12 -1.20 -0.34 0.00 -0.42 0.00 0.00 57.16 55.32 2cqi n GLU 43 Cb 0.83 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 30.11 2cqi n GLU 43 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2cqi s HIS 44 N -1.65 3.00 -0.16 -0.32 3.76 -1.26 -5.00 115.29 113.66 2cqi s HIS 44 Ca 0.22 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.76 2cqi s HIS 44 Cb 0.13 -1.94 -0.11 0.00 1.11 0.00 0.00 32.58 31.78 2cqi s HIS 44 CO 0.11 -0.04 3.08 0.25 -0.85 0.00 0.00 174.74 177.29 2cqi n THR 45 N 3.49 2.98 -2.87 1.30 -2.24 -1.26 -4.78 114.28 110.90 2cqi n THR 45 Ca -0.17 -1.86 -0.21 0.00 -2.27 0.00 0.00 64.05 59.54 2cqi n THR 45 Cb 0.52 -1.78 0.08 0.00 -2.10 0.00 0.00 70.33 67.06 2cqi n THR 45 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2cqi s SER 46 N 1.37 4.80 0.53 3.42 1.04 -1.26 -4.96 113.70 118.63 2cqi s SER 46 Ca 0.55 -0.68 0.30 0.00 0.48 0.00 0.00 55.95 56.59 2cqi s SER 46 Cb 0.30 0.21 1.44 0.00 0.10 0.00 0.00 66.02 68.07 2cqi s SER 46 CO -0.07 -1.55 1.90 -0.55 0.98 0.00 0.00 173.24 173.94 2cqi h ASN 47 N -0.10 0.04 -4.82 7.02 7.08 -2.02 -3.43 115.58 119.35 2cqi h ASN 47 Ca -0.32 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 52.92 2cqi h ASN 47 Cb 1.28 -0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 37.36 2cqi h ASN 47 CO 0.40 0.01 0.31 -1.81 -2.08 0.00 0.00 177.43 174.26 2cqi s ASP 48 N -5.68 -0.52 1.12 6.14 1.01 -1.26 -5.04 116.67 112.44 2cqi s ASP 48 Ca -0.05 0.22 -0.16 0.00 0.71 0.00 0.00 52.55 53.26 2cqi s ASP 48 Cb 0.21 0.50 0.25 0.00 1.01 0.00 0.00 42.92 44.89 2cqi s ASP 48 CO 0.77 -0.73 1.10 -2.16 0.21 0.00 0.00 175.17 174.36 2cqi s PRO 49 N -2.71 -0.54 0.04 8.23 0.04 -1.26 -4.57 135.00 134.23 2cqi s PRO 49 Ca -0.01 0.17 -0.05 0.00 0.04 0.00 0.00 61.00 61.15 2cqi s PRO 49 Cb -0.01 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 2cqi s PRO 49 CO -0.05 -3.31 0.08 1.52 0.04 0.00 0.00 177.00 175.28 2cqi s TYR 50 N -2.99 0.24 0.08 0.56 1.13 -0.69 -2.91 117.35 112.77 2cqi s TYR 50 Ca 0.69 -0.57 0.02 0.00 -1.41 0.00 0.00 57.07 55.80 2cqi s TYR 50 Cb -0.14 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 2cqi s TYR 50 CO 0.57 -0.36 -0.06 0.00 -2.51 0.00 0.00 175.55 173.18 2cqi s PHE 52 N -3.21 3.03 -0.13 0.00 0.08 0.76 0.00 117.98 118.51 2cqi s PHE 52 Ca 0.07 0.06 -0.01 0.00 0.12 0.00 0.00 56.93 57.16 2cqi s PHE 52 Cb 0.03 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 2cqi s PHE 52 CO -0.04 0.44 -0.01 0.08 -0.10 0.00 0.00 175.22 175.58 2cqi s VAL 53 N -1.04 0.66 -0.11 -0.44 1.01 -0.03 -1.69 120.40 118.76 2cqi s VAL 53 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2cqi s VAL 53 Cb -0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2cqi s VAL 53 CO 0.09 0.13 -0.02 -0.70 0.00 0.00 0.00 175.10 174.59 2cqi s GLU 54 N 1.84 3.17 0.28 2.72 2.12 -0.68 -0.00 118.70 128.15 2cqi s GLU 54 Ca 0.03 -0.47 0.09 0.00 0.36 0.00 0.00 54.97 54.97 2cqi s GLU 54 Cb -0.14 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2cqi s GLU 54 CO -0.07 0.54 0.09 -0.06 -0.54 0.00 0.00 175.26 175.22 2cqi s PHE 55 N -0.44 2.80 0.10 5.30 0.40 0.72 0.13 117.98 126.98 2cqi s PHE 55 Ca 0.07 -0.24 -0.16 0.00 -0.60 0.00 0.00 56.93 56.01 2cqi s PHE 55 Cb -0.12 -1.36 -0.08 0.00 0.51 0.00 0.00 43.02 41.96 2cqi s PHE 55 CO 0.02 0.52 1.44 1.88 0.70 0.00 0.00 175.22 179.78 2cqi h TYR 56 N 1.69 0.76 -2.11 0.36 -1.99 -1.86 -3.43 116.97 110.40 2cqi h TYR 56 Ca -0.45 -0.21 -0.60 0.00 2.00 0.00 0.00 58.73 59.47 2cqi h TYR 56 Cb 1.25 -0.17 -0.12 0.00 2.00 0.00 0.00 36.73 39.69 2cqi h TYR 56 CO 0.64 0.92 -0.70 -1.21 -0.00 0.00 0.00 178.16 177.80 2cqi s GLU 57 N -4.48 1.90 0.19 4.88 0.41 -1.26 -5.04 118.70 115.29 2cqi s GLU 57 Ca -0.13 -1.72 -0.01 0.00 -0.41 0.00 0.00 54.97 52.70 2cqi s GLU 57 Cb 0.08 -1.87 0.09 0.00 -1.78 0.00 0.00 34.13 30.66 2cqi s GLU 57 CO 0.81 0.27 1.47 1.25 -0.49 0.00 0.00 175.26 178.57 2cqi h HIS 58 N 2.07 0.56 -0.82 1.61 -0.00 -1.88 -2.91 115.15 113.77 2cqi h HIS 58 Ca -0.42 -0.23 0.02 0.00 -0.00 0.00 0.00 60.37 59.75 2cqi h HIS 58 Cb 1.25 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 28.53 2cqi h HIS 58 CO 0.76 0.97 0.53 0.07 -0.00 0.00 0.00 177.93 180.26 2cqi h ARG 59 N 0.30 1.03 -0.32 5.26 0.11 -1.96 -1.29 114.38 117.50 2cqi h ARG 59 Ca -0.02 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.92 2cqi h ARG 59 Cb 1.23 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 2cqi h ARG 59 CO 0.12 0.68 -0.10 -0.44 0.10 0.00 0.00 179.97 180.32 2cqi h ASP 60 N 1.06 0.65 -0.63 0.08 3.32 -1.96 -1.42 116.42 117.51 2cqi h ASP 60 Ca 0.32 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 57.02 2cqi h ASP 60 Cb -0.05 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2cqi h ASP 60 CO -0.09 0.88 0.37 0.00 -1.72 0.00 0.00 179.24 178.68 2cqi h ALA 61 N 0.79 0.82 -0.44 3.45 0.00 -1.27 0.18 119.26 122.80 2cqi h ALA 61 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2cqi h ALA 61 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2cqi h ALA 61 CO 0.04 0.09 -0.23 0.00 0.00 0.00 0.00 179.25 179.15 2cqi h ALA 62 N 1.29 0.62 -0.24 0.00 0.00 -1.19 0.22 119.26 119.95 2cqi h ALA 62 Ca 0.26 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2cqi h ALA 62 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2cqi h ALA 62 CO -0.13 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.78 2cqi h ALA 63 N 0.83 0.32 -0.12 0.00 0.00 -0.80 -2.23 119.26 117.26 2cqi h ALA 63 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2cqi h ALA 63 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2cqi h ALA 63 CO 0.07 -0.02 -0.64 0.00 0.00 0.00 0.00 179.25 178.66 2cqi h ALA 64 N 0.86 0.66 0.03 0.00 0.00 -0.65 -2.13 119.26 118.04 2cqi h ALA 64 Ca 0.07 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2cqi h ALA 64 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2cqi h ALA 64 CO 0.00 0.72 -0.06 1.25 0.00 0.00 0.00 179.25 181.16 2cqi h LEU 65 N 0.33 -0.17 -0.47 0.00 5.85 -0.48 0.50 115.31 120.87 2cqi h LEU 65 Ca -0.01 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2cqi h LEU 65 Cb 1.20 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2cqi h LEU 65 CO 0.11 -0.10 -0.19 0.00 -0.34 0.00 0.00 178.44 177.92 2cqi h ALA 66 N 0.83 0.66 0.00 1.25 0.00 -1.44 1.53 119.26 122.09 2cqi h ALA 66 Ca 0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2cqi h ALA 66 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2cqi h ALA 66 CO -0.04 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.57 2cqi h ALA 67 N 0.86 1.19 0.00 0.00 0.00 -1.15 -2.91 119.26 117.25 2cqi h ALA 67 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cqi h ALA 67 Cb 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2cqi h ALA 67 CO 0.06 0.33 -1.70 -1.33 0.00 0.00 0.00 179.25 176.61 2cqi n MET 68 N -3.69 0.60 -1.54 0.00 2.81 0.17 -4.70 117.12 110.77 2cqi n MET 68 Ca -0.01 -0.14 -0.43 0.00 -1.81 0.00 0.00 57.70 55.31 2cqi n MET 68 Cb 0.38 -1.46 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.03 2.50 -1.70 7.83 5.15 0.52 -0.97 115.26 126.56 2cqi n ASN 69 Ca -0.02 0.05 -0.12 0.00 -0.60 0.00 0.00 54.58 53.88 2cqi n ASN 69 Cb 0.47 -1.45 0.01 0.00 -0.53 0.00 0.00 39.78 38.29 2cqi n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cqi n GLY 70 N 6.10 -0.03 3.87 8.20 0.00 0.65 -4.82 105.19 119.16 2cqi n GLY 70 Ca 0.37 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.05 3.68 -0.33 1.61 3.52 -0.14 -4.67 118.95 117.56 2cqi s ARG 71 Ca 0.13 0.76 -0.17 0.00 -0.13 0.00 0.00 55.73 56.32 2cqi s ARG 71 Cb -0.06 -2.11 -0.01 0.00 -1.56 0.00 0.00 34.95 31.21 2cqi s ARG 71 CO 0.16 -0.47 0.48 0.15 -0.81 0.00 0.00 175.30 174.81 2cqi s LYS 72 N -4.89 3.68 -0.07 5.12 -0.14 -1.26 0.09 119.74 122.26 2cqi s LYS 72 Ca 0.55 -0.14 -0.01 0.00 -1.36 0.00 0.00 55.97 55.01 2cqi s LYS 72 Cb -0.11 -3.78 0.03 0.00 -1.68 0.00 0.00 37.83 32.29 2cqi s LYS 72 CO 0.48 -0.57 -0.01 0.42 -0.76 0.00 0.00 175.35 174.91 2cqi s ILE 73 N 2.30 0.44 -1.38 2.17 1.01 -0.09 -4.82 121.20 120.84 2cqi s ILE 73 Ca 0.17 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 2cqi s ILE 73 Cb -0.16 -0.58 0.01 0.00 0.01 0.00 0.00 42.46 41.74 2cqi s ILE 73 CO 0.12 0.27 1.06 0.18 0.00 0.00 0.00 174.94 176.57 2cqi n LEU 74 N 5.09 -3.25 0.00 2.97 4.77 -1.26 -1.11 117.00 124.22 2cqi n LEU 74 Ca -0.08 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2cqi n LEU 74 Cb 0.50 -2.99 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 2cqi n LEU 74 CO 0.11 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2cqi n GLY 75 N -1.90 1.08 3.28 -0.72 0.00 -1.26 -4.96 105.19 100.72 2cqi n GLY 75 Ca -0.01 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 -0.24 3.26 -0.19 1.61 2.20 -0.26 -5.09 119.74 121.03 2cqi s LYS 76 Ca 0.00 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.60 2cqi s LYS 76 Cb 0.00 -2.69 -0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2cqi s LYS 76 CO 0.00 0.00 1.18 -2.00 -0.36 0.00 0.00 175.35 174.17 2cqi s GLU 77 N 0.87 4.24 -0.06 4.03 2.12 -1.26 -0.92 118.70 127.73 2cqi s GLU 77 Ca -0.04 1.55 -0.10 0.00 0.36 0.00 0.00 54.97 56.74 2cqi s GLU 77 Cb -0.15 -3.72 -0.05 0.00 0.26 0.00 0.00 34.13 30.47 2cqi s GLU 77 CO -0.00 -0.68 0.27 0.14 -0.54 0.00 0.00 175.26 174.45 2cqi s VAL 78 N 3.38 5.28 -0.15 3.70 -7.23 0.11 -4.81 120.40 120.69 2cqi s VAL 78 Ca 0.51 0.50 -0.08 0.00 -1.81 0.00 0.00 61.98 61.09 2cqi s VAL 78 Cb -0.19 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 2cqi s VAL 78 CO 0.11 0.59 0.14 -1.59 -0.31 0.00 0.00 175.10 174.04 2cqi s LYS 79 N -1.08 3.71 -0.07 4.82 -2.85 -0.05 -0.26 119.74 123.97 2cqi s LYS 79 Ca 0.20 -0.15 0.02 0.00 -1.00 0.00 0.00 55.97 55.03 2cqi s LYS 79 Cb -0.14 -3.27 0.02 0.00 -2.06 0.00 0.00 37.83 32.37 2cqi s LYS 79 CO 0.09 0.61 -0.11 0.08 0.10 0.00 0.00 175.35 176.11 2cqi s VAL 80 N -0.53 1.07 0.13 1.79 1.01 -1.26 -0.18 120.40 122.43 2cqi s VAL 80 Ca 0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2cqi s VAL 80 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2cqi s VAL 80 CO 0.02 0.34 0.10 0.20 0.00 0.00 0.00 175.10 175.77 2cqi s ASN 81 N 0.80 0.26 -0.01 3.32 0.01 -0.70 -4.56 114.94 114.06 2cqi s ASN 81 Ca -0.12 -1.10 -0.30 0.00 -0.71 0.00 0.00 52.86 50.63 2cqi s ASN 81 Cb -0.15 0.32 -0.06 0.00 0.41 0.00 0.00 41.25 41.77 2cqi s ASN 81 CO 0.02 -0.76 1.53 0.26 -1.51 0.00 0.00 177.10 176.65 2cqi s TRP 82 N -4.02 2.46 -1.23 2.20 0.52 -1.26 -0.42 118.94 117.20 2cqi s TRP 82 Ca 0.21 0.51 -0.17 0.00 0.02 0.00 0.00 56.10 56.66 2cqi s TRP 82 Cb 0.07 -3.81 0.10 0.00 -1.15 0.00 0.00 33.47 28.68 2cqi s TRP 82 CO 0.00 -3.19 1.59 0.00 0.02 0.00 0.00 176.95 175.37 2cqi s ALA 83 N 3.07 3.46 0.01 0.98 0.00 -0.80 -4.78 121.76 123.69 2cqi s ALA 83 Ca 0.69 -2.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.38 2cqi s ALA 83 Cb -0.33 -4.46 0.11 0.00 0.00 0.00 0.00 23.12 18.44 2cqi s ALA 83 CO 0.28 -3.17 1.19 -0.08 0.00 0.00 0.00 175.76 173.99 2cqi s THR 84 N 3.47 0.00 0.27 0.00 -1.32 -1.26 -4.81 115.64 111.98 2cqi s THR 84 Ca 0.49 -0.30 -0.13 0.00 -1.21 0.00 0.00 61.69 60.54 2cqi s THR 84 Cb 0.01 -1.87 -0.08 0.00 -1.51 0.00 0.00 72.50 69.05 2cqi s THR 84 CO 0.03 0.00 0.65 0.42 -2.21 0.00 0.00 174.62 173.51 2cqi s THR 85 N -2.64 4.78 0.26 5.08 -4.23 -1.26 -4.99 115.64 112.64 2cqi s THR 85 Ca 0.13 0.78 0.19 0.00 -1.18 0.00 0.00 61.69 61.61 2cqi s THR 85 Cb 0.03 -3.64 0.15 0.00 1.34 0.00 0.00 72.50 70.38 2cqi s THR 85 CO -0.03 -0.08 1.82 1.55 -0.54 0.00 0.00 174.62 177.34 2cqi h PRO 86 N 2.54 0.00 -6.00 3.99 0.13 -2.02 -3.45 132.00 127.19 2cqi h PRO 86 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 2cqi h PRO 86 Cb 1.18 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.40 2cqi h PRO 86 CO 0.67 0.33 -0.41 -1.13 -0.23 0.00 0.00 178.00 177.23 2cqi n SER 87 N -3.68 -1.00 -3.70 1.44 3.41 -1.26 -4.97 113.62 103.87 2cqi n SER 87 Ca -0.01 1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 59.62 2cqi n SER 87 Cb 0.44 -0.95 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 2cqi n SER 87 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqi s SER 88 N -0.80 -0.20 -0.52 4.04 0.15 -1.26 -5.12 113.70 109.99 2cqi s SER 88 Ca 0.69 -0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.95 2cqi s SER 88 Cb -1.00 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 63.76 2cqi s SER 88 CO 0.56 -0.69 0.88 -1.58 1.20 0.00 0.00 173.24 173.61 2cqi s GLN 89 N -2.84 3.35 -0.01 5.44 2.00 -1.26 -5.00 119.66 121.33 2cqi s GLN 89 Ca -0.03 -0.23 -0.13 0.00 -2.00 0.00 0.00 55.36 52.97 2cqi s GLN 89 Cb 0.00 -4.02 0.02 0.00 0.80 0.00 0.00 33.01 29.81 2cqi s GLN 89 CO -0.05 -1.36 0.27 -1.59 -0.50 0.00 0.00 175.29 172.06 2cqi s LYS 90 N 3.68 0.61 -1.39 1.67 0.00 -1.26 -4.91 119.74 118.14 2cqi s LYS 90 Ca 0.30 -0.21 -0.07 0.00 0.00 0.00 0.00 55.97 55.98 2cqi s LYS 90 Cb -0.13 0.27 0.04 0.00 0.00 0.00 0.00 37.83 38.01 2cqi s LYS 90 CO 0.20 -0.16 0.96 0.43 0.00 0.00 0.00 175.35 176.78 2cqi n SER 91 N 1.39 -3.86 0.00 0.03 7.64 -1.26 -4.95 113.62 112.60 2cqi n SER 91 Ca -0.21 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2cqi n SER 91 Cb 0.56 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 2cqi n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqi n GLY 92 N -1.67 -0.27 3.71 0.23 0.00 -1.26 -5.05 105.19 100.87 2cqi n GLY 92 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 1.08 -0.30 1.61 0.04 -1.26 -5.08 135.00 131.09 2cqi s PRO 93 Ca 0.00 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 2cqi s PRO 93 Cb 0.00 -1.79 0.16 0.00 0.04 0.00 0.00 34.50 32.91 2cqi s PRO 93 CO 0.00 -2.35 1.01 -1.54 0.04 0.00 0.00 177.00 174.16 2cqi s SER 94 N -3.43 -0.51 0.39 6.66 1.04 -1.26 -5.17 113.70 111.41 2cqi s SER 94 Ca 0.64 0.74 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 2cqi s SER 94 Cb -0.18 1.48 -0.04 0.00 0.10 0.00 0.00 66.02 67.38 2cqi s SER 94 CO 0.57 -0.11 0.65 -0.44 0.98 0.00 0.00 173.24 174.89 2cqi s SER 95 N 2.07 6.32 0.00 7.02 0.01 -1.26 -5.31 113.70 122.55 2cqi s SER 95 Ca -0.04 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2cqi s SER 95 Cb -0.05 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2cqi s SER 95 CO -0.16 -0.38 0.26 0.61 0.41 0.00 0.00 173.24 173.97