#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 0.87 -3.60 1.61 3.41 -1.26 -4.87 113.62 109.78 2cqi n SER -5 Ca 0.00 0.83 -0.08 0.00 -0.26 0.00 0.00 58.87 59.36 2cqi n SER -5 Cb 0.00 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.13 2cqi n SER -5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cqi s SER -4 N 4.20 -0.14 -0.46 4.04 0.01 -1.26 -5.13 113.70 114.96 2cqi s SER -4 Ca 1.03 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 57.42 2cqi s SER -4 Cb -1.36 0.75 0.12 0.00 0.21 0.00 0.00 66.02 65.74 2cqi s SER -4 CO 0.66 -1.42 0.29 -0.83 0.41 0.00 0.00 173.24 172.35 2cqi s GLY -3 N -2.98 2.08 0.20 3.44 0.00 -1.26 -5.05 107.32 103.75 2cqi s GLY -3 Ca 0.14 -2.64 -0.16 0.00 0.00 0.00 0.00 44.72 42.05 2cqi s GLY -3 CO 0.09 1.07 0.50 -0.45 0.00 0.00 0.00 173.10 174.31 2cqi s SER -2 N 1.98 -0.22 0.13 1.64 0.15 -1.26 -5.13 113.70 111.00 2cqi s SER -2 Ca 0.09 -0.56 -0.34 0.00 0.70 0.00 0.00 55.95 55.83 2cqi s SER -2 Cb -0.23 0.57 -0.14 0.00 -1.71 0.00 0.00 66.02 64.51 2cqi s SER -2 CO -0.03 -1.06 1.56 -1.54 1.20 0.00 0.00 173.24 173.37 2cqi n SER -1 N -0.34 2.91 -4.52 5.45 3.41 -1.26 -4.95 113.62 114.31 2cqi n SER -1 Ca -0.09 1.08 -0.29 0.00 -0.26 0.00 0.00 58.87 59.32 2cqi n SER -1 Cb 0.62 -1.39 0.20 0.00 -0.26 0.00 0.00 64.21 63.38 2cqi n SER -1 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqi s GLY 0 N 1.06 1.56 0.11 5.00 0.00 -1.26 -5.08 107.32 108.71 2cqi s GLY 0 Ca 0.81 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.12 2cqi s GLY 0 CO 0.40 0.24 -0.11 -3.16 0.00 0.00 0.00 173.10 170.47 2cqi s MET 1 N -4.96 0.89 -0.03 2.90 0.00 -1.26 -5.15 119.30 111.69 2cqi s MET 1 Ca 0.67 -1.20 -0.01 0.00 0.00 0.00 0.00 55.69 55.15 2cqi s MET 1 Cb -0.18 -0.60 0.03 0.00 0.00 0.00 0.00 34.83 34.08 2cqi s MET 1 CO 0.58 0.09 0.06 0.00 0.00 0.00 0.00 175.02 175.76 2cqi s MET 2 N -2.87 -0.03 0.25 3.16 0.00 -1.26 -5.16 119.30 113.40 2cqi s MET 2 Ca 0.07 0.27 0.09 0.00 0.00 0.00 0.00 55.69 56.12 2cqi s MET 2 Cb -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 34.83 34.47 2cqi s MET 2 CO 0.00 -0.20 0.02 -1.21 0.00 0.00 0.00 175.02 173.63 2cqi s GLU 3 N 1.34 2.39 -0.45 3.16 8.01 -1.26 -5.09 118.70 126.82 2cqi s GLU 3 Ca -0.06 -1.33 -0.26 0.00 0.01 0.00 0.00 54.97 53.34 2cqi s GLU 3 Cb -0.13 -2.24 0.03 0.00 -4.31 0.00 0.00 34.13 27.48 2cqi s GLU 3 CO -0.04 0.38 0.94 0.16 0.01 0.00 0.00 175.26 176.72 2cqi s ASP 4 N -3.59 6.54 0.06 -0.19 -4.77 -1.26 -4.84 116.67 108.61 2cqi s ASP 4 Ca 0.31 0.23 -0.02 0.00 -3.30 0.00 0.00 52.55 49.76 2cqi s ASP 4 Cb -0.07 -2.46 -0.01 0.00 -1.09 0.00 0.00 42.92 39.29 2cqi s ASP 4 CO 0.20 -1.03 -0.05 0.47 0.70 0.00 0.00 175.17 175.46 2cqi n ASP 5 N 7.15 1.17 0.00 2.11 8.00 -1.26 -5.08 116.55 128.64 2cqi n ASP 5 Ca 0.07 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2cqi n ASP 5 Cb 0.48 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2cqi n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cqi n GLY 6 N 3.20 -1.51 3.57 0.44 0.00 -1.26 -5.15 105.19 104.48 2cqi n GLY 6 Ca -0.02 0.92 -0.44 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 1.19 -2.26 1.61 3.00 -1.26 -4.90 117.38 114.76 2cqi n GLN 7 Ca 0.00 0.42 -0.40 0.00 -0.01 0.00 0.00 57.00 57.01 2cqi n GLN 7 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 30.24 28.43 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 -1.60 4.31 -0.01 -1.09 0.04 -1.26 -4.91 135.00 130.49 2cqi s PRO 8 Ca 0.60 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.65 2cqi s PRO 8 Cb -0.68 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 30.92 2cqi s PRO 8 CO 0.59 -0.14 0.77 0.54 0.04 0.00 0.00 177.00 178.79 2cqi n ARG 9 N 0.63 1.01 -4.96 4.56 1.74 -1.26 -4.45 116.66 113.94 2cqi n ARG 9 Ca 0.01 -1.04 -0.27 0.00 -0.77 0.00 0.00 57.85 55.79 2cqi n ARG 9 Cb 0.44 -0.73 -0.16 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.54 1.58 0.07 0.55 2.01 -1.26 -0.03 115.64 118.02 2cqi s THR 10 Ca 0.03 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.25 2cqi s THR 10 Cb 0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2cqi s THR 10 CO 0.00 0.45 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.45 2cqi s LEU 11 N -0.29 2.23 -0.26 4.42 1.43 -0.31 -2.41 118.68 123.48 2cqi s LEU 11 Ca 0.03 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2cqi s LEU 11 Cb -0.09 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 2cqi s LEU 11 CO 0.00 0.04 0.16 -0.47 0.23 0.00 0.00 176.35 176.31 2cqi s TYR 12 N -1.03 3.21 -0.26 0.29 6.14 0.66 -1.52 117.35 124.85 2cqi s TYR 12 Ca 0.03 0.04 -0.09 0.00 0.64 0.00 0.00 57.07 57.69 2cqi s TYR 12 Cb -0.09 -2.32 -0.04 0.00 0.42 0.00 0.00 41.96 39.93 2cqi s TYR 12 CO 0.02 -0.15 0.11 0.08 0.64 0.00 0.00 175.55 176.26 2cqi s VAL 13 N 1.56 4.68 0.39 3.14 1.01 0.10 -2.06 120.40 129.23 2cqi s VAL 13 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.05 2cqi s VAL 13 Cb -0.15 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 2cqi s VAL 13 CO 0.08 0.31 0.04 -0.83 0.00 0.00 0.00 175.10 174.70 2cqi s GLY 14 N 1.66 2.40 -1.02 4.51 0.00 0.54 -0.47 107.32 114.94 2cqi s GLY 14 Ca 0.07 -1.88 -0.04 0.00 0.00 0.00 0.00 44.72 42.86 2cqi s GLY 14 CO 0.06 -1.97 0.87 -2.01 0.00 0.00 0.00 173.10 170.06 2cqi n ASN 15 N -0.92 -3.88 -4.79 1.64 5.15 -1.18 -0.91 115.26 110.38 2cqi n ASN 15 Ca -0.06 -0.46 -0.37 0.00 -0.60 0.00 0.00 54.58 53.10 2cqi n ASN 15 Cb 0.67 -4.12 -0.06 0.00 -0.53 0.00 0.00 39.78 35.73 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 -5.74 4.36 0.56 1.20 1.43 -1.19 -4.11 118.68 115.19 2cqi s LEU 16 Ca 0.25 0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 53.89 2cqi s LEU 16 Cb -0.11 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2cqi s LEU 16 CO 0.58 0.22 1.16 -0.55 0.23 0.00 0.00 176.35 177.99 2cqi s SER 17 N -0.35 5.51 0.39 2.29 0.15 -1.26 -3.97 113.70 116.45 2cqi s SER 17 Ca 0.21 2.27 0.21 0.00 0.70 0.00 0.00 55.95 59.34 2cqi s SER 17 Cb -0.15 -2.59 1.15 0.00 -1.71 0.00 0.00 66.02 62.73 2cqi s SER 17 CO 0.09 -1.37 1.61 0.03 1.20 0.00 0.00 173.24 174.80 2cqi h ARG 18 N 1.08 0.00 0.00 5.44 3.08 -1.99 0.30 114.38 122.29 2cqi h ARG 18 Ca -0.50 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.36 2cqi h ARG 18 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 2cqi h ARG 18 CO 0.56 0.00 -1.14 0.22 -1.07 0.00 0.00 179.97 178.54 2cqi h ASP 19 N 0.00 0.00 -3.84 7.04 3.58 -1.99 -3.46 116.42 117.75 2cqi h ASP 19 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 2cqi h ASP 19 Cb 0.30 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.47 2cqi h ASP 19 CO 0.00 0.77 0.64 0.52 -2.88 0.00 0.00 179.24 178.30 2cqi n VAL 20 N -3.14 2.71 -4.30 2.25 0.31 0.11 -5.02 118.33 111.25 2cqi n VAL 20 Ca -0.06 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.61 2cqi n VAL 20 Cb 0.89 -1.77 -0.10 0.00 -0.91 0.00 0.00 33.84 31.95 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 -1.19 0.66 0.20 2.52 -4.23 -1.26 -4.93 115.64 107.41 2cqi s THR 21 Ca 0.61 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 2cqi s THR 21 Cb -0.47 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.03 2cqi s THR 21 CO 0.58 -0.15 1.87 -0.08 -0.54 0.00 0.00 174.62 176.30 2cqi h GLU 22 N 2.46 0.96 -0.59 3.99 4.22 -1.95 -1.91 114.58 121.75 2cqi h GLU 22 Ca -0.38 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 58.91 2cqi h GLU 22 Cb 1.23 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2cqi h GLU 22 CO 0.62 0.64 0.04 -0.24 -2.18 0.00 0.00 179.01 177.89 2cqi h VAL 23 N 0.98 1.26 0.03 0.32 3.04 -1.96 -2.30 116.25 117.61 2cqi h VAL 23 Ca 0.26 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2cqi h VAL 23 Cb -0.10 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 29.97 2cqi h VAL 23 CO -0.06 0.40 -0.04 0.25 -1.01 0.00 0.00 177.57 177.11 2cqi h LEU 24 N 0.92 -0.12 -0.28 3.16 6.46 -1.87 -1.24 115.31 122.34 2cqi h LEU 24 Ca 0.17 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 2cqi h LEU 24 Cb 0.51 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 2cqi h LEU 24 CO 0.02 -0.07 0.12 0.40 -0.62 0.00 0.00 178.44 178.29 2cqi h ILE 25 N -0.09 0.95 -0.23 4.05 1.08 -1.30 -1.47 117.51 120.50 2cqi h ILE 25 Ca 0.01 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2cqi h ILE 25 Cb 0.10 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2cqi h ILE 25 CO -0.03 0.05 0.16 -0.07 -0.69 0.00 0.00 178.15 177.57 2cqi h LEU 26 N 0.25 0.12 0.05 1.44 3.38 -1.21 0.22 115.31 119.56 2cqi h LEU 26 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2cqi h LEU 26 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2cqi h LEU 26 CO -0.11 0.08 -0.02 1.56 0.09 0.00 0.00 178.44 180.04 2cqi h GLN 27 N 0.14 -0.06 -0.23 1.13 1.08 -0.21 0.30 115.11 117.25 2cqi h GLN 27 Ca 0.10 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2cqi h GLN 27 Cb 0.24 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2cqi h GLN 27 CO -0.01 0.36 0.06 -0.07 -0.95 0.00 0.00 178.83 178.22 2cqi h LEU 28 N -0.51 0.35 -0.97 1.46 3.38 -0.92 -2.64 115.31 115.47 2cqi h LEU 28 Ca -0.01 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2cqi h LEU 28 Cb 0.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2cqi h LEU 28 CO 0.01 0.48 -0.35 -0.26 0.09 0.00 0.00 178.44 178.41 2cqi h PHE 29 N 0.20 0.36 -0.61 1.13 -1.00 -1.03 -2.88 116.94 113.12 2cqi h PHE 29 Ca 0.07 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2cqi h PHE 29 Cb 0.26 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 2cqi h PHE 29 CO 0.01 0.63 0.33 1.03 -1.61 0.00 0.00 178.31 178.70 2cqi h SER 30 N 0.27 0.74 -0.57 2.17 0.87 -0.17 -1.50 113.55 115.36 2cqi h SER 30 Ca 0.03 -0.05 0.13 0.00 -1.23 0.00 0.00 61.79 60.67 2cqi h SER 30 Cb 0.75 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2cqi h SER 30 CO 0.06 0.60 0.40 1.56 -0.53 0.00 0.00 176.83 178.91 2cqi h GLN 31 N 0.84 0.17 0.00 2.24 4.20 -1.24 -2.89 115.11 118.44 2cqi h GLN 31 Ca 0.22 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 2cqi h GLN 31 Cb 0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2cqi h GLN 31 CO -0.04 0.11 -0.69 0.82 -0.67 0.00 0.00 178.83 178.36 2cqi h ILE 32 N 0.18 0.73 -3.50 2.54 2.04 -1.44 -3.50 117.51 114.56 2cqi h ILE 32 Ca 0.27 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.31 2cqi h ILE 32 Cb 0.83 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 38.44 2cqi h ILE 32 CO -0.04 0.25 -0.01 -0.83 0.00 0.00 0.00 178.15 177.52 2cqi s GLY 33 N -4.43 0.51 0.15 5.37 0.00 -0.65 -5.02 107.32 103.24 2cqi s GLY 33 Ca -0.20 -0.83 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 2cqi s GLY 33 CO 0.44 -0.52 1.34 2.56 0.00 0.00 0.00 173.10 176.92 2cqi s PRO 34 N -3.67 4.36 -0.27 2.90 0.04 -1.26 -3.72 135.00 133.38 2cqi s PRO 34 Ca 0.20 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.19 2cqi s PRO 34 Cb -0.02 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2cqi s PRO 34 CO 0.10 -0.34 0.12 0.00 0.04 0.00 0.00 177.00 176.93 2cqi h LYS 36 N 8.30 0.02 -1.50 0.00 1.63 0.18 -3.47 116.57 121.74 2cqi h LYS 36 Ca -0.36 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.54 2cqi h LYS 36 Cb 1.17 -0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.56 2cqi h LYS 36 CO 0.58 0.08 0.58 0.45 -3.45 0.00 0.00 179.45 177.69 2cqi s SER 37 N -5.27 -0.34 -0.06 4.20 0.15 -1.20 -5.03 113.70 106.15 2cqi s SER 37 Ca -0.13 0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.96 2cqi s SER 37 Cb 0.06 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2cqi s SER 37 CO 0.66 -0.28 -0.13 0.00 1.20 0.00 0.00 173.24 174.70 2cqi s LYS 39 N 0.55 2.02 -0.31 0.00 2.20 -0.76 -4.95 119.74 118.50 2cqi s LYS 39 Ca -0.13 -1.14 -0.22 0.00 -0.36 0.00 0.00 55.97 54.13 2cqi s LYS 39 Cb -0.15 -2.71 -0.00 0.00 -1.51 0.00 0.00 37.83 33.46 2cqi s LYS 39 CO 0.04 -0.55 0.71 1.41 -0.36 0.00 0.00 175.35 176.59 2cqi s MET 40 N 1.25 3.93 -0.21 4.03 -2.45 -1.26 -0.76 119.30 123.82 2cqi s MET 40 Ca -0.06 0.44 -0.05 0.00 -1.25 0.00 0.00 55.69 54.76 2cqi s MET 40 Cb -0.19 -3.73 -0.02 0.00 1.25 0.00 0.00 34.83 32.14 2cqi s MET 40 CO -0.06 -0.62 0.00 0.42 1.05 0.00 0.00 175.02 175.81 2cqi s ILE 41 N 2.77 3.90 -0.20 10.11 1.01 0.16 -4.96 121.20 133.99 2cqi s ILE 41 Ca 0.29 -0.33 0.14 0.00 0.00 0.00 0.00 60.65 60.75 2cqi s ILE 41 Cb -0.15 -2.77 0.44 0.00 0.01 0.00 0.00 42.46 39.99 2cqi s ILE 41 CO 0.12 0.41 1.19 0.35 0.00 0.00 0.00 174.94 177.02 2cqi n THR 42 N 4.43 1.82 -0.19 2.92 -2.24 -1.26 -1.88 114.28 117.88 2cqi n THR 42 Ca -0.17 -3.09 -0.08 0.00 -2.27 0.00 0.00 64.05 58.44 2cqi n THR 42 Cb 0.52 -0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.49 0.80 -6.27 -0.78 5.08 -1.94 -3.39 114.58 109.56 2cqi h GLU 43 Ca 0.05 -0.13 -0.59 0.00 -1.00 0.00 0.00 59.36 57.69 2cqi h GLU 43 Cb 1.33 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 2cqi h GLU 43 CO 0.24 0.67 0.67 -1.01 -1.00 0.00 0.00 179.01 178.58 2cqi s HIS 44 N -5.64 2.93 -0.06 4.33 3.76 -1.26 -4.90 115.29 114.45 2cqi s HIS 44 Ca -0.13 0.53 -0.11 0.00 -0.15 0.00 0.00 55.06 55.20 2cqi s HIS 44 Cb 0.12 -4.02 -0.30 0.00 1.11 0.00 0.00 32.58 29.49 2cqi s HIS 44 CO 0.78 -1.09 0.63 1.15 -0.85 0.00 0.00 174.74 175.36 2cqi h THR 45 N 6.07 0.92 -0.87 1.30 2.02 -1.94 -3.37 112.91 117.04 2cqi h THR 45 Ca -0.24 -2.48 0.16 0.00 0.77 0.00 0.00 66.41 64.62 2cqi h THR 45 Cb 1.07 2.74 -0.16 0.00 -1.74 0.00 0.00 68.15 70.07 2cqi h THR 45 CO 1.04 0.85 -0.30 0.28 0.37 0.00 0.00 175.52 177.76 2cqi h SER 46 N 0.06 -1.08 -1.77 4.18 0.02 -1.97 -3.41 113.55 109.57 2cqi h SER 46 Ca -0.35 0.27 -0.49 0.00 -0.84 0.00 0.00 61.79 60.39 2cqi h SER 46 Cb 2.06 0.62 -0.03 0.00 0.14 0.00 0.00 62.40 65.19 2cqi h SER 46 CO 0.16 -0.29 -0.42 0.54 -1.14 0.00 0.00 176.83 175.67 2cqi s ASN 47 N -5.27 5.31 0.73 3.07 4.22 -1.26 -5.09 114.94 116.64 2cqi s ASN 47 Ca -0.14 -0.52 -0.16 0.00 -2.14 0.00 0.00 52.86 49.90 2cqi s ASN 47 Cb 0.22 -0.91 0.00 0.00 1.28 0.00 0.00 41.25 41.84 2cqi s ASN 47 CO 0.74 -0.43 0.89 -0.90 -2.04 0.00 0.00 177.10 175.37 2cqi n ASP 48 N -1.44 0.18 -4.22 3.54 5.68 -1.26 -4.86 116.55 114.16 2cqi n ASP 48 Ca -0.00 0.65 -0.29 0.00 -0.50 0.00 0.00 54.79 54.64 2cqi n ASP 48 Cb 0.60 -1.38 0.21 0.00 -1.14 0.00 0.00 41.12 39.42 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 -3.27 -0.49 -0.02 0.11 0.04 -1.25 -4.67 135.00 125.45 2cqi s PRO 49 Ca 0.72 0.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 2cqi s PRO 49 Cb -0.34 -1.66 0.04 0.00 0.04 0.00 0.00 34.50 32.58 2cqi s PRO 49 CO 0.52 -3.28 0.44 1.52 0.04 0.00 0.00 177.00 176.23 2cqi s TYR 50 N -2.99 -0.34 0.07 0.56 1.13 -0.79 -3.08 117.35 111.92 2cqi s TYR 50 Ca 0.68 0.55 0.02 0.00 -1.41 0.00 0.00 57.07 56.91 2cqi s TYR 50 Cb -0.14 0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 40.89 2cqi s TYR 50 CO 0.57 -0.47 -0.07 0.00 -2.51 0.00 0.00 175.55 173.07 2cqi s PHE 52 N -2.68 3.17 -0.19 0.00 0.08 0.06 0.01 117.98 118.43 2cqi s PHE 52 Ca 0.02 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.25 2cqi s PHE 52 Cb -0.01 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2cqi s PHE 52 CO -0.03 0.43 -0.08 0.08 -0.10 0.00 0.00 175.22 175.52 2cqi s VAL 53 N -0.75 1.49 -0.18 -0.44 1.01 -0.58 -1.83 120.40 119.12 2cqi s VAL 53 Ca 0.12 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 2cqi s VAL 53 Cb -0.12 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2cqi s VAL 53 CO 0.02 0.13 0.04 -0.70 0.00 0.00 0.00 175.10 174.59 2cqi s GLU 54 N 1.46 3.91 0.35 2.72 2.12 -0.86 -1.16 118.70 127.24 2cqi s GLU 54 Ca -0.01 -0.38 0.07 0.00 0.36 0.00 0.00 54.97 55.01 2cqi s GLU 54 Cb -0.16 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2cqi s GLU 54 CO -0.08 0.26 0.39 -0.06 -0.54 0.00 0.00 175.26 175.23 2cqi s PHE 55 N 0.40 2.95 0.08 5.30 0.08 0.95 0.84 117.98 128.59 2cqi s PHE 55 Ca 0.02 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 2cqi s PHE 55 Cb -0.13 -1.96 -0.17 0.00 -0.57 0.00 0.00 43.02 40.20 2cqi s PHE 55 CO 0.01 0.03 1.28 1.88 -0.10 0.00 0.00 175.22 178.31 2cqi h TYR 56 N 1.04 0.97 -2.39 0.36 -1.99 -1.86 -3.43 116.97 109.67 2cqi h TYR 56 Ca -0.44 -0.43 -0.53 0.00 2.00 0.00 0.00 58.73 59.32 2cqi h TYR 56 Cb 1.26 -0.15 -0.14 0.00 2.00 0.00 0.00 36.73 39.70 2cqi h TYR 56 CO 0.48 1.25 -0.65 -1.21 -0.00 0.00 0.00 178.16 178.04 2cqi s GLU 57 N -3.71 1.70 0.19 4.88 2.02 -1.26 -5.05 118.70 117.46 2cqi s GLU 57 Ca -0.11 -1.90 0.01 0.00 0.02 0.00 0.00 54.97 52.98 2cqi s GLU 57 Cb 0.08 -1.27 0.09 0.00 0.10 0.00 0.00 34.13 33.13 2cqi s GLU 57 CO 0.88 -0.02 1.45 1.25 0.02 0.00 0.00 175.26 178.84 2cqi h HIS 58 N 2.10 0.44 -0.98 1.61 -0.00 -1.90 -2.90 115.15 113.51 2cqi h HIS 58 Ca -0.41 -0.20 0.03 0.00 -0.00 0.00 0.00 60.37 59.79 2cqi h HIS 58 Cb 1.24 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 28.53 2cqi h HIS 58 CO 0.68 0.94 0.65 0.07 -0.00 0.00 0.00 177.93 180.27 2cqi h ARG 59 N 0.22 1.24 -0.10 5.26 0.11 -1.97 -0.22 114.38 118.92 2cqi h ARG 59 Ca -0.03 -0.07 -0.05 0.00 0.10 0.00 0.00 59.98 59.92 2cqi h ARG 59 Cb 1.31 -0.28 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 2cqi h ARG 59 CO 0.12 0.82 -0.15 -0.44 0.10 0.00 0.00 179.97 180.42 2cqi h ASP 60 N 1.28 0.31 -0.70 0.08 3.32 -1.97 -1.84 116.42 116.90 2cqi h ASP 60 Ca 0.38 -0.53 0.05 0.00 0.02 0.00 0.00 57.03 56.95 2cqi h ASP 60 Cb -0.05 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 2cqi h ASP 60 CO -0.11 0.78 0.42 0.00 -1.72 0.00 0.00 179.24 178.61 2cqi h ALA 61 N 0.54 0.94 -0.38 3.45 0.00 -1.28 0.18 119.26 122.71 2cqi h ALA 61 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2cqi h ALA 61 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2cqi h ALA 61 CO 0.03 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.38 2cqi h ALA 62 N 1.33 0.52 -0.16 0.00 0.00 -1.06 0.21 119.26 120.10 2cqi h ALA 62 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2cqi h ALA 62 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2cqi h ALA 62 CO -0.15 0.34 0.05 0.00 0.00 0.00 0.00 179.25 179.49 2cqi h ALA 63 N 0.85 0.22 -0.17 0.00 0.00 -0.87 -2.06 119.26 117.23 2cqi h ALA 63 Ca 0.10 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2cqi h ALA 63 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2cqi h ALA 63 CO 0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 179.25 178.70 2cqi h ALA 64 N 0.86 0.96 0.10 0.00 0.00 -0.64 -1.55 119.26 118.99 2cqi h ALA 64 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2cqi h ALA 64 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2cqi h ALA 64 CO -0.00 0.63 -0.05 1.25 0.00 0.00 0.00 179.25 181.08 2cqi h LEU 65 N 0.33 -0.11 -0.40 0.00 5.85 -0.42 0.46 115.31 121.02 2cqi h LEU 65 Ca 0.03 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2cqi h LEU 65 Cb 0.88 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2cqi h LEU 65 CO 0.07 -0.03 -0.15 0.00 -0.34 0.00 0.00 178.44 177.99 2cqi h ALA 66 N 0.71 0.56 -0.54 1.25 0.00 -1.37 1.27 119.26 121.14 2cqi h ALA 66 Ca -0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2cqi h ALA 66 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2cqi h ALA 66 CO 0.02 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.78 2cqi h ALA 67 N 0.82 1.02 0.00 0.00 0.00 -1.17 -2.80 119.26 117.13 2cqi h ALA 67 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2cqi h ALA 67 Cb 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2cqi h ALA 67 CO 0.05 0.61 -0.87 -1.33 0.00 0.00 0.00 179.25 177.71 2cqi n MET 68 N -4.21 0.36 -1.54 0.00 2.81 0.16 -4.61 117.12 110.09 2cqi n MET 68 Ca 0.03 0.05 -0.39 0.00 -1.81 0.00 0.00 57.70 55.59 2cqi n MET 68 Cb 0.31 -1.67 -0.05 0.00 -0.71 0.00 0.00 33.22 31.09 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 -2.16 2.05 -1.71 7.83 2.85 0.43 -1.02 115.26 123.53 2cqi n ASN 69 Ca 0.02 -0.27 -0.11 0.00 -0.11 0.00 0.00 54.58 54.11 2cqi n ASN 69 Cb 0.46 -1.45 0.02 0.00 1.24 0.00 0.00 39.78 40.05 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 6.11 0.11 3.88 8.20 0.00 0.79 -4.84 105.19 119.45 2cqi n GLY 70 Ca 0.42 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.22 3.71 -0.33 1.61 3.52 -0.19 -4.67 118.95 117.38 2cqi s ARG 71 Ca 0.18 0.50 -0.20 0.00 -0.13 0.00 0.00 55.73 56.08 2cqi s ARG 71 Cb -0.08 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 31.00 2cqi s ARG 71 CO 0.22 -0.19 0.62 0.15 -0.81 0.00 0.00 175.30 175.30 2cqi s LYS 72 N -4.31 3.80 -0.08 5.12 -0.14 -1.26 0.02 119.74 122.89 2cqi s LYS 72 Ca 0.52 0.17 -0.01 0.00 -1.36 0.00 0.00 55.97 55.29 2cqi s LYS 72 Cb -0.10 -3.76 0.03 0.00 -1.68 0.00 0.00 37.83 32.31 2cqi s LYS 72 CO 0.38 -0.64 -0.03 0.42 -0.76 0.00 0.00 175.35 174.72 2cqi s ILE 73 N 2.64 0.61 -1.69 2.17 1.01 0.08 -4.79 121.20 121.22 2cqi s ILE 73 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 2cqi s ILE 73 Cb -0.15 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2cqi s ILE 73 CO 0.13 0.29 0.17 0.18 0.00 0.00 0.00 174.94 175.71 2cqi n LEU 74 N 4.94 -2.15 0.00 2.97 4.77 -1.26 -0.87 117.00 125.40 2cqi n LEU 74 Ca -0.11 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2cqi n LEU 74 Cb 0.50 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 2cqi n LEU 74 CO 0.14 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2cqi n GLY 75 N -1.16 0.84 3.14 -0.72 0.00 -1.26 -5.00 105.19 101.02 2cqi n GLY 75 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.05 2.71 -0.17 1.61 2.20 -0.05 -5.10 119.74 120.89 2cqi s LYS 76 Ca 0.00 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.57 2cqi s LYS 76 Cb 0.00 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 34.14 2cqi s LYS 76 CO 0.00 0.03 1.25 -2.00 -0.36 0.00 0.00 175.35 174.26 2cqi s GLU 77 N 0.72 4.23 -0.10 4.03 2.12 -1.26 -0.74 118.70 127.71 2cqi s GLU 77 Ca -0.11 1.64 -0.11 0.00 0.36 0.00 0.00 54.97 56.75 2cqi s GLU 77 Cb -0.16 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 2cqi s GLU 77 CO 0.01 -0.70 0.25 0.14 -0.54 0.00 0.00 175.26 174.43 2cqi s VAL 78 N 3.48 5.31 -0.19 3.70 -7.23 0.10 -4.77 120.40 120.81 2cqi s VAL 78 Ca 0.54 0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 61.07 2cqi s VAL 78 Cb -0.21 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 2cqi s VAL 78 CO 0.14 0.55 0.17 -1.59 -0.31 0.00 0.00 175.10 174.06 2cqi s LYS 79 N -0.66 4.18 -0.11 4.82 -2.85 -0.09 -0.15 119.74 124.88 2cqi s LYS 79 Ca 0.18 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 55.02 2cqi s LYS 79 Cb -0.14 -3.41 0.01 0.00 -2.06 0.00 0.00 37.83 32.24 2cqi s LYS 79 CO 0.07 0.30 -0.16 0.08 0.10 0.00 0.00 175.35 175.74 2cqi s VAL 80 N 0.33 1.56 0.09 1.79 1.01 -1.26 -0.34 120.40 123.58 2cqi s VAL 80 Ca 0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2cqi s VAL 80 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2cqi s VAL 80 CO -0.00 0.45 0.01 0.21 0.00 0.00 0.00 175.10 175.77 2cqi s ASN 81 N 1.01 0.47 -0.03 3.32 2.47 -0.87 -4.58 114.94 116.73 2cqi s ASN 81 Ca -0.06 -1.09 -0.30 0.00 0.42 0.00 0.00 52.86 51.83 2cqi s ASN 81 Cb -0.15 0.23 -0.07 0.00 -1.45 0.00 0.00 41.25 39.82 2cqi s ASN 81 CO -0.02 -0.65 1.76 0.26 -3.72 0.00 0.00 177.10 174.73 2cqi s TRP 82 N -3.95 1.74 -0.87 0.43 0.52 -1.26 -0.24 118.94 115.31 2cqi s TRP 82 Ca 0.15 -0.02 -0.25 0.00 0.02 0.00 0.00 56.10 56.00 2cqi s TRP 82 Cb 0.08 -4.03 0.00 0.00 -1.15 0.00 0.00 33.47 28.37 2cqi s TRP 82 CO -0.04 -4.41 1.65 0.00 0.02 0.00 0.00 176.95 174.16 2cqi s ALA 83 N 4.22 2.29 0.57 0.98 0.00 -1.01 -4.78 121.76 124.03 2cqi s ALA 83 Ca 0.78 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 2cqi s ALA 83 Cb -0.36 -4.45 -0.05 0.00 0.00 0.00 0.00 23.12 18.26 2cqi s ALA 83 CO 0.33 -3.99 1.08 0.95 0.00 0.00 0.00 175.76 174.13 2cqi s THR 84 N 7.42 3.59 0.02 0.00 -4.23 -1.26 -4.88 115.64 116.29 2cqi s THR 84 Ca 0.55 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 2cqi s THR 84 Cb -0.06 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 2cqi s THR 84 CO 0.02 -0.35 -0.03 0.42 -0.54 0.00 0.00 174.62 174.15 2cqi s THR 85 N -2.19 0.12 -0.42 3.99 -4.23 -1.26 -5.03 115.64 106.62 2cqi s THR 85 Ca 0.67 -0.78 0.25 0.00 -1.18 0.00 0.00 61.69 60.65 2cqi s THR 85 Cb -0.18 -0.24 0.26 0.00 1.34 0.00 0.00 72.50 73.68 2cqi s THR 85 CO 0.32 -0.41 1.74 1.55 -0.54 0.00 0.00 174.62 177.27 2cqi h PRO 86 N 4.88 0.00 -0.88 3.99 0.13 -2.05 -3.30 132.00 134.77 2cqi h PRO 86 Ca -0.31 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.95 2cqi h PRO 86 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2cqi h PRO 86 CO 0.43 0.00 -0.38 0.43 -0.23 0.00 0.00 178.00 178.25 2cqi n SER 87 N -2.32 -0.64 -4.67 1.44 7.64 -1.26 -4.40 113.62 109.41 2cqi n SER 87 Ca 0.02 1.54 -0.44 0.00 1.01 0.00 0.00 58.87 61.00 2cqi n SER 87 Cb 0.23 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 2cqi n SER 87 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cqi n SER 88 N -5.26 2.47 -0.10 6.43 2.88 -1.25 -4.93 113.62 113.87 2cqi n SER 88 Ca 0.08 1.18 -0.22 0.00 -1.33 0.00 0.00 58.87 58.57 2cqi n SER 88 Cb 0.33 -1.42 -0.12 0.00 -0.75 0.00 0.00 64.21 62.25 2cqi n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cqi n GLN 89 N 1.12 0.65 -1.98 -1.46 10.64 -1.26 -4.89 117.38 120.19 2cqi n GLN 89 Ca 0.08 0.25 -0.42 0.00 -1.83 0.00 0.00 57.00 55.08 2cqi n GLN 89 Cb 0.33 -1.58 -0.03 0.00 -0.86 0.00 0.00 30.24 28.11 2cqi n GLN 89 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2cqi s LYS 90 N -2.51 4.00 -0.06 2.61 1.02 -1.26 -4.99 119.74 118.56 2cqi s LYS 90 Ca -0.33 2.07 0.02 0.00 0.02 0.00 0.00 55.97 57.75 2cqi s LYS 90 Cb 0.10 -4.04 0.01 0.00 -0.52 0.00 0.00 37.83 33.38 2cqi s LYS 90 CO 0.61 -1.06 -0.10 -1.12 -0.92 0.00 0.00 175.35 172.75 2cqi s SER 91 N 4.02 1.54 -0.47 2.83 0.01 -1.26 -5.08 113.70 115.28 2cqi s SER 91 Ca 0.76 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.83 2cqi s SER 91 Cb -0.32 -0.71 0.19 0.00 0.21 0.00 0.00 66.02 65.39 2cqi s SER 91 CO 0.31 0.01 0.72 -0.83 0.41 0.00 0.00 173.24 173.87 2cqi s GLY 92 N 0.70 -1.30 1.23 3.44 0.00 -1.26 -5.16 107.32 104.96 2cqi s GLY 92 Ca -0.13 -0.12 -0.20 0.00 0.00 0.00 0.00 44.72 44.27 2cqi s GLY 92 CO 0.03 3.71 1.11 2.56 0.00 0.00 0.00 173.10 180.51 2cqi s PRO 93 N 1.22 -1.46 0.50 2.90 0.04 -1.26 -5.09 135.00 131.86 2cqi s PRO 93 Ca 0.25 -0.15 0.05 0.00 0.04 0.00 0.00 61.00 61.19 2cqi s PRO 93 Cb -0.01 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.97 2cqi s PRO 93 CO -0.06 -3.85 0.31 -1.54 0.04 0.00 0.00 177.00 171.90 2cqi s SER 94 N -3.96 4.57 -0.06 6.66 1.04 -1.26 -5.14 113.70 115.55 2cqi s SER 94 Ca 0.72 -1.22 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2cqi s SER 94 Cb -0.08 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.22 2cqi s SER 94 CO 0.56 -0.93 -0.12 -0.55 0.98 0.00 0.00 173.24 173.18 2cqi s SER 95 N -4.15 1.73 0.00 7.02 0.15 -1.26 -5.36 113.70 111.83 2cqi s SER 95 Ca 0.33 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2cqi s SER 95 Cb -0.01 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2cqi s SER 95 CO 0.20 0.04 0.14 0.61 1.20 0.00 0.00 173.24 175.43