#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 -0.16 0.26 1.61 0.15 -1.26 -5.16 113.70 109.13 2cqi s SER -5 Ca 0.00 0.79 0.11 0.00 0.70 0.00 0.00 55.95 57.54 2cqi s SER -5 Cb 0.00 0.88 -0.05 0.00 -1.71 0.00 0.00 66.02 65.14 2cqi s SER -5 CO 0.00 -0.21 -0.13 -0.55 1.20 0.00 0.00 173.24 173.55 2cqi s SER -4 N 2.03 3.96 -0.19 5.45 0.15 -1.26 -5.14 113.70 118.71 2cqi s SER -4 Ca -0.04 -0.84 -0.31 0.00 0.70 0.00 0.00 55.95 55.46 2cqi s SER -4 Cb -0.11 -0.52 0.14 0.00 -1.71 0.00 0.00 66.02 63.82 2cqi s SER -4 CO -0.11 0.04 1.13 -0.83 1.20 0.00 0.00 173.24 174.67 2cqi s GLY -3 N -3.40 -0.19 -0.11 9.45 0.00 -1.26 -5.15 107.32 106.65 2cqi s GLY -3 Ca 0.29 2.07 0.00 0.00 0.00 0.00 0.00 44.72 47.08 2cqi s GLY -3 CO 0.16 0.89 -0.09 -0.45 0.00 0.00 0.00 173.10 173.61 2cqi s SER -2 N -1.43 2.18 1.04 1.64 0.15 -1.26 -5.13 113.70 110.89 2cqi s SER -2 Ca 0.04 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.19 2cqi s SER -2 Cb -0.01 -0.88 0.01 0.00 -1.71 0.00 0.00 66.02 63.43 2cqi s SER -2 CO -0.03 -0.09 -0.20 -1.20 1.20 0.00 0.00 173.24 172.91 2cqi n SER -1 N 4.76 -2.84 -4.44 5.45 7.64 -1.26 -4.79 113.62 118.15 2cqi n SER -1 Ca -0.15 0.07 -0.44 0.00 1.01 0.00 0.00 58.87 59.37 2cqi n SER -1 Cb 0.50 -0.94 -0.01 0.00 -1.01 0.00 0.00 64.21 62.75 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 2.26 -1.55 3.82 0.23 0.00 -1.26 -4.92 105.19 103.77 2cqi n GLY 0 Ca 0.02 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2cqi n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqi s MET 1 N -1.31 3.24 -0.16 1.61 0.00 -1.26 -5.06 119.30 116.35 2cqi s MET 1 Ca 0.62 1.05 0.01 0.00 0.00 0.00 0.00 55.69 57.37 2cqi s MET 1 Cb -0.72 -2.03 0.03 0.00 0.00 0.00 0.00 34.83 32.11 2cqi s MET 1 CO 0.59 -0.86 -0.14 -1.64 0.00 0.00 0.00 175.02 172.96 2cqi s MET 2 N -4.53 2.34 -0.50 3.16 1.00 -1.26 -5.09 119.30 114.42 2cqi s MET 2 Ca 0.60 -0.66 -0.20 0.00 0.00 0.00 0.00 55.69 55.43 2cqi s MET 2 Cb -0.14 -2.24 0.05 0.00 0.00 0.00 0.00 34.83 32.49 2cqi s MET 2 CO 0.45 -0.28 0.67 -2.00 0.00 0.00 0.00 175.02 173.86 2cqi s GLU 3 N 1.44 3.17 0.10 2.03 2.56 -1.26 -4.98 118.70 121.76 2cqi s GLU 3 Ca 0.04 -0.74 -0.25 0.00 0.00 0.00 0.00 54.97 54.01 2cqi s GLU 3 Cb -0.14 -4.07 0.09 0.00 2.00 0.00 0.00 34.13 32.01 2cqi s GLU 3 CO -0.10 -1.22 1.12 0.16 -0.56 0.00 0.00 175.26 174.65 2cqi s ASP 4 N 2.61 -0.04 -0.02 -1.70 -4.77 -1.26 -5.08 116.67 106.41 2cqi s ASP 4 Ca 0.18 -0.44 -0.18 0.00 -3.30 0.00 0.00 52.55 48.81 2cqi s ASP 4 Cb -0.18 0.37 -0.10 0.00 -1.09 0.00 0.00 42.92 41.92 2cqi s ASP 4 CO 0.14 -0.72 0.77 -0.78 0.70 0.00 0.00 175.17 175.28 2cqi h ASP 5 N 2.00 -0.56 0.00 2.11 3.58 -2.09 -3.49 116.42 117.98 2cqi h ASP 5 Ca -0.26 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2cqi h ASP 5 Cb 1.21 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.40 2cqi h ASP 5 CO 0.32 -0.15 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 2cqi n GLY 6 N 0.08 0.84 3.57 -0.78 0.00 -1.26 -5.11 105.19 102.53 2cqi n GLY 6 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 1.14 -2.24 1.61 6.02 -1.26 -4.90 117.38 117.75 2cqi n GLN 7 Ca 0.00 0.41 -0.41 0.00 -0.01 0.00 0.00 57.00 56.99 2cqi n GLN 7 Cb 0.00 -1.88 -0.03 0.00 1.02 0.00 0.00 30.24 29.35 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 -1.85 4.43 -0.03 -1.09 0.04 -1.26 -4.92 135.00 130.32 2cqi s PRO 8 Ca 0.63 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.77 2cqi s PRO 8 Cb -0.59 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 30.87 2cqi s PRO 8 CO 0.57 -0.14 0.94 0.54 0.04 0.00 0.00 177.00 178.95 2cqi n ARG 9 N 1.77 0.66 -5.23 4.56 1.74 -1.26 -4.59 116.66 114.31 2cqi n ARG 9 Ca 0.03 -1.35 -0.30 0.00 -0.77 0.00 0.00 57.85 55.45 2cqi n ARG 9 Cb 0.43 -0.81 -0.16 0.00 -1.02 0.00 0.00 32.46 30.90 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 -0.83 1.97 -0.04 0.55 2.01 -1.26 -0.60 115.64 117.44 2cqi s THR 10 Ca 0.08 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.06 2cqi s THR 10 Cb 0.07 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.94 2cqi s THR 10 CO 0.01 0.55 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.62 2cqi s LEU 11 N -0.37 1.77 -0.20 4.42 1.43 0.41 -0.43 118.68 125.70 2cqi s LEU 11 Ca 0.03 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 2cqi s LEU 11 Cb -0.11 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 2cqi s LEU 11 CO 0.01 0.07 0.46 -0.47 0.23 0.00 0.00 176.35 176.66 2cqi s TYR 12 N 0.26 3.37 -0.27 0.29 6.14 0.14 -0.23 117.35 127.03 2cqi s TYR 12 Ca -0.05 0.69 -0.08 0.00 0.64 0.00 0.00 57.07 58.27 2cqi s TYR 12 Cb -0.10 -2.61 -0.02 0.00 0.42 0.00 0.00 41.96 39.65 2cqi s TYR 12 CO 0.01 -0.07 0.10 0.08 0.64 0.00 0.00 175.55 176.31 2cqi s VAL 13 N 1.53 4.37 0.34 3.14 1.01 0.14 -1.95 120.40 128.98 2cqi s VAL 13 Ca 0.22 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2cqi s VAL 13 Cb -0.15 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 2cqi s VAL 13 CO 0.09 0.22 0.02 -0.83 0.00 0.00 0.00 175.10 174.60 2cqi s GLY 14 N 1.60 2.13 -0.71 4.51 0.00 0.32 -0.67 107.32 114.50 2cqi s GLY 14 Ca 0.05 -2.09 -0.04 0.00 0.00 0.00 0.00 44.72 42.64 2cqi s GLY 14 CO 0.04 -1.90 0.62 -2.01 0.00 0.00 0.00 173.10 169.85 2cqi n ASN 15 N -0.74 -3.97 -4.86 1.64 5.15 -1.24 -0.23 115.26 111.01 2cqi n ASN 15 Ca -0.04 -0.29 -0.35 0.00 -0.60 0.00 0.00 54.58 53.30 2cqi n ASN 15 Cb 0.66 -2.93 -0.05 0.00 -0.53 0.00 0.00 39.78 36.93 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 -4.36 4.37 0.28 1.20 1.43 -1.20 -4.04 118.68 116.35 2cqi s LEU 16 Ca 0.26 0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 53.87 2cqi s LEU 16 Cb -0.12 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.11 2cqi s LEU 16 CO 0.39 0.20 1.25 -0.55 0.23 0.00 0.00 176.35 177.87 2cqi s SER 17 N -1.66 6.94 0.65 2.29 0.15 -1.26 -3.90 113.70 116.91 2cqi s SER 17 Ca 0.31 2.49 0.17 0.00 0.70 0.00 0.00 55.95 59.62 2cqi s SER 17 Cb -0.14 -2.63 0.83 0.00 -1.71 0.00 0.00 66.02 62.37 2cqi s SER 17 CO 0.17 -0.43 1.44 -0.09 1.20 0.00 0.00 173.24 175.54 2cqi h ARG 18 N 4.09 0.00 0.17 5.44 9.65 -1.97 1.25 114.38 133.01 2cqi h ARG 18 Ca -0.47 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.12 2cqi h ARG 18 Cb 1.22 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.81 2cqi h ARG 18 CO 0.69 0.00 -1.31 -0.44 2.80 0.00 0.00 179.97 181.71 2cqi h ASP 19 N 0.00 0.55 -1.34 -3.80 3.32 -2.00 -3.47 116.42 109.68 2cqi h ASP 19 Ca 0.10 -0.59 -0.65 0.00 0.02 0.00 0.00 57.03 55.91 2cqi h ASP 19 Cb 1.62 -0.18 0.12 0.00 0.22 0.00 0.00 39.33 41.11 2cqi h ASP 19 CO -0.00 1.46 -0.47 0.52 -1.72 0.00 0.00 179.24 179.03 2cqi n VAL 20 N -3.59 1.85 -4.29 -1.35 0.31 0.43 -4.98 118.33 106.72 2cqi n VAL 20 Ca -0.11 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.54 2cqi n VAL 20 Cb 1.05 -0.17 -0.11 0.00 -0.91 0.00 0.00 33.84 33.70 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 -1.10 1.52 0.23 2.52 -4.23 -1.26 -4.95 115.64 108.36 2cqi s THR 21 Ca 0.63 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 59.17 2cqi s THR 21 Cb -0.85 -1.74 0.18 0.00 1.34 0.00 0.00 72.50 71.42 2cqi s THR 21 CO 0.57 -0.46 1.78 -0.08 -0.54 0.00 0.00 174.62 175.90 2cqi h GLU 22 N 3.19 0.60 -0.54 3.99 4.22 -1.96 -1.07 114.58 123.01 2cqi h GLU 22 Ca -0.40 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 58.94 2cqi h GLU 22 Cb 1.20 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2cqi h GLU 22 CO 0.54 0.40 0.07 -0.24 -2.18 0.00 0.00 179.01 177.60 2cqi h VAL 23 N 0.62 1.24 0.08 0.32 3.04 -1.97 -2.42 116.25 117.16 2cqi h VAL 23 Ca 0.35 -0.94 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2cqi h VAL 23 Cb 0.36 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2cqi h VAL 23 CO -0.26 0.34 -0.04 0.25 -1.01 0.00 0.00 177.57 176.85 2cqi h LEU 24 N 0.82 -0.09 -0.27 3.16 6.46 -1.63 -1.45 115.31 122.30 2cqi h LEU 24 Ca 0.17 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2cqi h LEU 24 Cb 0.39 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 2cqi h LEU 24 CO 0.01 -0.04 0.10 0.40 -0.62 0.00 0.00 178.44 178.29 2cqi h ILE 25 N -0.13 0.94 -0.32 4.05 1.08 -1.25 -1.51 117.51 120.37 2cqi h ILE 25 Ca -0.01 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 2cqi h ILE 25 Cb 0.10 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 2cqi h ILE 25 CO 0.02 0.04 0.22 -0.07 -0.69 0.00 0.00 178.15 177.67 2cqi h LEU 26 N 0.23 0.19 -0.05 1.44 3.38 -1.29 0.05 115.31 119.28 2cqi h LEU 26 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2cqi h LEU 26 Cb 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cqi h LEU 26 CO -0.11 0.13 -0.03 1.56 0.09 0.00 0.00 178.44 180.08 2cqi h GLN 27 N 0.22 0.10 -0.21 1.13 1.08 -0.28 0.39 115.11 117.55 2cqi h GLN 27 Ca 0.14 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2cqi h GLN 27 Cb 0.28 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2cqi h GLN 27 CO -0.03 0.50 0.05 -0.07 -0.95 0.00 0.00 178.83 178.33 2cqi h LEU 28 N -0.31 0.32 -0.76 1.46 3.38 -0.81 -2.60 115.31 115.99 2cqi h LEU 28 Ca 0.01 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 2cqi h LEU 28 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2cqi h LEU 28 CO 0.01 0.47 -0.39 -0.26 0.09 0.00 0.00 178.44 178.36 2cqi h PHE 29 N 0.15 0.56 -0.50 1.13 -1.00 -1.05 -2.93 116.94 113.30 2cqi h PHE 29 Ca 0.07 -0.15 0.01 0.00 2.81 0.00 0.00 57.97 60.70 2cqi h PHE 29 Cb 0.28 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2cqi h PHE 29 CO 0.01 0.80 0.33 1.03 -1.61 0.00 0.00 178.31 178.87 2cqi h SER 30 N 0.39 0.56 -0.08 2.17 0.87 -0.06 -0.94 113.55 116.47 2cqi h SER 30 Ca 0.04 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2cqi h SER 30 Cb 0.86 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2cqi h SER 30 CO 0.07 0.41 0.06 1.56 -0.53 0.00 0.00 176.83 178.39 2cqi h GLN 31 N 0.66 0.01 0.00 2.24 4.20 -1.27 -3.01 115.11 117.95 2cqi h GLN 31 Ca 0.18 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 2cqi h GLN 31 Cb -0.06 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2cqi h GLN 31 CO -0.04 0.01 -0.81 0.82 -0.67 0.00 0.00 178.83 178.14 2cqi h ILE 32 N 0.01 1.02 -3.35 2.54 2.04 -1.32 -3.50 117.51 114.96 2cqi h ILE 32 Ca 0.04 -2.06 -0.02 0.00 1.00 0.00 0.00 64.86 63.82 2cqi h ILE 32 Cb 0.13 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 2cqi h ILE 32 CO -0.00 0.35 0.06 -0.83 0.00 0.00 0.00 178.15 177.73 2cqi s GLY 33 N -4.58 0.33 -0.01 5.37 0.00 -0.57 -5.01 107.32 102.86 2cqi s GLY 33 Ca -0.24 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 2cqi s GLY 33 CO 0.56 -0.40 1.46 2.56 0.00 0.00 0.00 173.10 177.27 2cqi s PRO 34 N -3.73 4.25 -0.27 2.90 0.04 -1.26 -3.78 135.00 133.15 2cqi s PRO 34 Ca 0.18 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.09 2cqi s PRO 34 Cb -0.03 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2cqi s PRO 34 CO 0.09 -0.64 0.37 0.00 0.04 0.00 0.00 177.00 176.86 2cqi h LYS 36 N 8.20 -0.03 -1.73 0.00 1.63 0.27 -3.47 116.57 121.45 2cqi h LYS 36 Ca -0.32 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.51 2cqi h LYS 36 Cb 1.16 0.01 -0.23 0.00 -0.60 0.00 0.00 32.23 32.57 2cqi h LYS 36 CO 0.64 0.13 0.39 0.45 -3.45 0.00 0.00 179.45 177.61 2cqi s SER 37 N -5.31 -0.50 -0.07 4.20 0.15 -1.21 -5.03 113.70 105.93 2cqi s SER 37 Ca -0.14 0.71 0.03 0.00 0.70 0.00 0.00 55.95 57.25 2cqi s SER 37 Cb 0.05 0.63 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 2cqi s SER 37 CO 0.66 -0.35 -0.16 0.00 1.20 0.00 0.00 173.24 174.59 2cqi s LYS 39 N 0.46 2.55 -0.31 0.00 2.20 -0.72 -4.95 119.74 118.97 2cqi s LYS 39 Ca -0.14 -1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 54.29 2cqi s LYS 39 Cb -0.16 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 2cqi s LYS 39 CO 0.05 -0.39 0.25 1.41 -0.36 0.00 0.00 175.35 176.30 2cqi s MET 40 N 1.22 3.71 -0.21 4.03 -2.45 -1.26 0.02 119.30 124.36 2cqi s MET 40 Ca -0.02 -0.45 -0.06 0.00 -1.25 0.00 0.00 55.69 53.92 2cqi s MET 40 Cb -0.16 -3.74 -0.03 0.00 1.25 0.00 0.00 34.83 32.15 2cqi s MET 40 CO -0.09 -0.35 0.02 0.42 1.05 0.00 0.00 175.02 176.07 2cqi s ILE 41 N 1.80 4.11 -0.21 10.11 1.01 0.12 -4.97 121.20 133.18 2cqi s ILE 41 Ca 0.08 -0.26 0.20 0.00 0.00 0.00 0.00 60.65 60.67 2cqi s ILE 41 Cb -0.17 -2.87 0.48 0.00 0.01 0.00 0.00 42.46 39.91 2cqi s ILE 41 CO 0.11 0.41 1.15 0.35 0.00 0.00 0.00 174.94 176.96 2cqi n THR 42 N 4.30 1.34 -0.99 2.92 -2.24 -1.26 -1.70 114.28 116.65 2cqi n THR 42 Ca -0.17 -2.83 0.03 0.00 -2.27 0.00 0.00 64.05 58.81 2cqi n THR 42 Cb 0.52 0.65 0.04 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.45 1.16 -3.83 -0.78 0.28 -1.26 -5.03 120.64 110.74 2cqi n GLU 43 Ca 0.15 -1.48 -0.36 0.00 -0.16 0.00 0.00 57.16 55.31 2cqi n GLU 43 Cb 0.89 -0.92 -0.11 0.00 1.43 0.00 0.00 31.44 32.73 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 -1.10 3.17 -0.83 -1.84 3.76 -1.26 -5.01 115.29 112.18 2cqi s HIS 44 Ca 0.09 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.58 2cqi s HIS 44 Cb 0.08 -2.20 -0.17 0.00 1.11 0.00 0.00 32.58 31.40 2cqi s HIS 44 CO 0.01 -0.12 2.61 0.25 -0.85 0.00 0.00 174.74 176.63 2cqi n THR 45 N 4.40 -0.03 -3.52 1.30 -2.24 -1.26 -4.82 114.28 108.12 2cqi n THR 45 Ca -0.16 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2cqi n THR 45 Cb 0.52 -1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 2cqi n THR 45 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2cqi s SER 46 N 10.05 -0.39 0.18 3.42 0.15 -1.26 -5.05 113.70 120.80 2cqi s SER 46 Ca 1.24 0.13 -0.13 0.00 0.70 0.00 0.00 55.95 57.88 2cqi s SER 46 Cb -0.90 0.38 0.11 0.00 -1.71 0.00 0.00 66.02 63.90 2cqi s SER 46 CO 0.41 -0.57 1.82 -1.13 1.20 0.00 0.00 173.24 174.97 2cqi h ASN 47 N 2.18 0.54 -4.46 5.45 -0.73 -2.02 -3.43 115.58 113.11 2cqi h ASN 47 Ca -0.22 0.00 -0.40 0.00 1.87 0.00 0.00 56.30 57.55 2cqi h ASN 47 Cb 1.22 -0.11 -0.22 0.00 0.27 0.00 0.00 38.32 39.48 2cqi h ASN 47 CO 0.32 0.38 -0.78 -1.81 -0.37 0.00 0.00 177.43 175.17 2cqi s ASP 48 N -5.62 1.57 1.15 1.15 1.01 -1.26 -5.00 116.67 109.67 2cqi s ASP 48 Ca -0.13 -0.56 -0.17 0.00 0.71 0.00 0.00 52.55 52.40 2cqi s ASP 48 Cb 0.13 -0.05 0.26 0.00 1.01 0.00 0.00 42.92 44.27 2cqi s ASP 48 CO 0.74 -0.06 1.10 -2.16 0.21 0.00 0.00 175.17 175.01 2cqi s PRO 49 N -1.54 -0.77 -0.02 8.23 0.04 -1.25 -4.65 135.00 135.03 2cqi s PRO 49 Ca -0.02 0.10 -0.13 0.00 0.04 0.00 0.00 61.00 60.98 2cqi s PRO 49 Cb -0.09 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.83 2cqi s PRO 49 CO 0.02 -3.45 0.29 1.52 0.04 0.00 0.00 177.00 175.42 2cqi s TYR 50 N -2.99 -0.17 0.04 0.56 -0.85 -0.69 -3.25 117.35 110.00 2cqi s TYR 50 Ca 0.69 0.28 0.02 0.00 -0.52 0.00 0.00 57.07 57.54 2cqi s TYR 50 Cb -0.12 0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 2cqi s TYR 50 CO 0.57 -0.35 -0.07 0.00 -1.52 0.00 0.00 175.55 174.18 2cqi s PHE 52 N -1.54 3.50 -0.15 0.00 0.08 0.10 0.24 117.98 120.21 2cqi s PHE 52 Ca -0.10 0.37 -0.00 0.00 0.12 0.00 0.00 56.93 57.32 2cqi s PHE 52 Cb -0.09 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2cqi s PHE 52 CO -0.00 0.65 -0.08 0.08 -0.10 0.00 0.00 175.22 175.77 2cqi s VAL 53 N -1.19 1.25 -0.11 -0.44 1.01 0.68 -1.75 120.40 119.85 2cqi s VAL 53 Ca 0.22 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2cqi s VAL 53 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2cqi s VAL 53 CO 0.13 0.25 -0.04 -0.70 0.00 0.00 0.00 175.10 174.74 2cqi s GLU 54 N 1.59 3.20 0.33 2.72 2.12 -0.88 -0.45 118.70 127.33 2cqi s GLU 54 Ca 0.02 -0.50 0.08 0.00 0.36 0.00 0.00 54.97 54.93 2cqi s GLU 54 Cb -0.14 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 2cqi s GLU 54 CO -0.08 0.49 0.23 -0.06 -0.54 0.00 0.00 175.26 175.30 2cqi s PHE 55 N -0.33 2.85 0.13 5.30 0.40 0.24 0.91 117.98 127.46 2cqi s PHE 55 Ca 0.06 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 56.00 2cqi s PHE 55 Cb -0.12 -1.70 -0.09 0.00 0.51 0.00 0.00 43.02 41.61 2cqi s PHE 55 CO 0.02 0.27 1.32 1.88 0.70 0.00 0.00 175.22 179.41 2cqi h TYR 56 N 1.38 0.80 -2.23 0.36 -1.99 -1.85 -3.42 116.97 110.01 2cqi h TYR 56 Ca -0.45 -0.39 -0.59 0.00 2.00 0.00 0.00 58.73 59.30 2cqi h TYR 56 Cb 1.25 -0.11 -0.14 0.00 2.00 0.00 0.00 36.73 39.73 2cqi h TYR 56 CO 0.57 1.20 -0.74 -1.21 -0.00 0.00 0.00 178.16 177.98 2cqi s GLU 57 N -3.50 1.67 0.20 4.88 0.41 -1.26 -5.04 118.70 116.06 2cqi s GLU 57 Ca -0.08 -1.79 0.02 0.00 -0.41 0.00 0.00 54.97 52.71 2cqi s GLU 57 Cb 0.09 -1.66 0.13 0.00 -1.78 0.00 0.00 34.13 30.90 2cqi s GLU 57 CO 0.88 0.26 1.48 1.25 -0.49 0.00 0.00 175.26 178.64 2cqi h HIS 58 N 2.24 0.39 -0.84 1.61 -0.00 -1.89 -2.90 115.15 113.75 2cqi h HIS 58 Ca -0.40 -0.17 -0.02 0.00 -0.00 0.00 0.00 60.37 59.78 2cqi h HIS 58 Cb 1.25 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 28.56 2cqi h HIS 58 CO 0.79 0.90 0.44 0.07 -0.00 0.00 0.00 177.93 180.12 2cqi h ARG 59 N 0.20 1.19 -0.19 5.26 0.11 -1.96 -1.65 114.38 117.33 2cqi h ARG 59 Ca -0.02 -0.15 -0.05 0.00 0.10 0.00 0.00 59.98 59.85 2cqi h ARG 59 Cb 1.26 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 2cqi h ARG 59 CO 0.11 0.89 -0.09 -0.44 0.10 0.00 0.00 179.97 180.54 2cqi h ASP 60 N 1.18 0.41 -0.78 0.08 3.32 -1.97 -1.76 116.42 116.91 2cqi h ASP 60 Ca 0.29 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 57.00 2cqi h ASP 60 Cb 0.07 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 2cqi h ASP 60 CO -0.04 0.73 0.47 0.00 -1.72 0.00 0.00 179.24 178.67 2cqi h ALA 61 N 0.70 1.06 -0.45 3.45 0.00 -1.31 0.15 119.26 122.85 2cqi h ALA 61 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2cqi h ALA 61 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2cqi h ALA 61 CO 0.03 0.19 -0.15 0.00 0.00 0.00 0.00 179.25 179.31 2cqi h ALA 62 N 1.38 0.63 -0.13 0.00 0.00 -1.26 0.80 119.26 120.67 2cqi h ALA 62 Ca 0.34 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2cqi h ALA 62 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cqi h ALA 62 CO -0.17 0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.66 2cqi h ALA 63 N 0.86 0.18 -0.18 0.00 0.00 -0.69 -2.32 119.26 117.10 2cqi h ALA 63 Ca 0.11 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2cqi h ALA 63 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2cqi h ALA 63 CO 0.05 -0.16 -0.36 0.00 0.00 0.00 0.00 179.25 178.78 2cqi h ALA 64 N 0.80 1.04 0.10 0.00 0.00 -0.73 -1.58 119.26 118.88 2cqi h ALA 64 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2cqi h ALA 64 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2cqi h ALA 64 CO 0.00 0.59 -0.05 1.25 0.00 0.00 0.00 179.25 181.05 2cqi h LEU 65 N 0.33 -0.11 -0.40 0.00 5.85 -0.71 0.53 115.31 120.80 2cqi h LEU 65 Ca 0.04 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2cqi h LEU 65 Cb 0.80 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2cqi h LEU 65 CO 0.06 -0.05 -0.16 0.00 -0.34 0.00 0.00 178.44 177.96 2cqi h ALA 66 N 0.74 0.55 -0.40 1.25 0.00 -1.39 1.37 119.26 121.38 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 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2cqi h ALA 66 CO 0.02 0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.66 2cqi h ALA 67 N 0.82 1.09 0.00 0.00 0.00 -1.16 -2.79 119.26 117.22 2cqi h ALA 67 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2cqi h ALA 67 Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2cqi h ALA 67 CO 0.05 0.56 -0.89 -1.33 0.00 0.00 0.00 179.25 177.64 2cqi n MET 68 N -4.19 0.19 -1.55 0.00 2.81 0.18 -4.63 117.12 109.94 2cqi n MET 68 Ca 0.01 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.53 2cqi n MET 68 Cb 0.34 -1.56 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.81 2.21 -1.44 7.83 2.85 0.47 -1.32 115.26 124.04 2cqi n ASN 69 Ca 0.03 -0.40 -0.09 0.00 -0.11 0.00 0.00 54.58 54.01 2cqi n ASN 69 Cb 0.40 -1.53 0.02 0.00 1.24 0.00 0.00 39.78 39.91 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 6.04 0.20 3.84 8.20 0.00 0.41 -4.85 105.19 119.03 2cqi n GLY 70 Ca 0.39 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.08 4.07 -0.35 1.61 3.52 -0.44 -4.66 118.95 117.62 2cqi s ARG 71 Ca 0.14 0.91 -0.23 0.00 -0.13 0.00 0.00 55.73 56.42 2cqi s ARG 71 Cb -0.06 -2.25 0.01 0.00 -1.56 0.00 0.00 34.95 31.08 2cqi s ARG 71 CO 0.17 -0.04 0.78 0.15 -0.81 0.00 0.00 175.30 175.56 2cqi s LYS 72 N -3.39 3.81 -0.08 5.12 -0.14 -1.26 -0.21 119.74 123.59 2cqi s LYS 72 Ca 0.58 0.38 -0.00 0.00 -1.36 0.00 0.00 55.97 55.57 2cqi s LYS 72 Cb -0.10 -3.79 0.03 0.00 -1.68 0.00 0.00 37.83 32.29 2cqi s LYS 72 CO 0.20 -0.81 -0.03 0.42 -0.76 0.00 0.00 175.35 174.37 2cqi s ILE 73 N 3.07 0.62 -1.66 2.17 1.01 -0.40 -4.79 121.20 121.22 2cqi s ILE 73 Ca 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2cqi s ILE 73 Cb -0.13 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2cqi s ILE 73 CO 0.16 0.29 0.29 0.18 0.00 0.00 0.00 174.94 175.86 2cqi n LEU 74 N 4.83 -2.27 0.00 2.97 4.77 -1.26 -0.72 117.00 125.32 2cqi n LEU 74 Ca -0.13 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 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 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2cqi n GLY 75 N -1.25 0.81 3.15 -0.72 0.00 -1.26 -4.99 105.19 100.92 2cqi n GLY 75 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.15 2.96 -0.13 1.61 2.20 0.10 -5.09 119.74 121.25 2cqi s LYS 76 Ca 0.00 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.49 2cqi s LYS 76 Cb 0.00 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 2cqi s LYS 76 CO 0.00 -0.08 1.38 -2.00 -0.36 0.00 0.00 175.35 174.30 2cqi s GLU 77 N 0.97 4.22 -0.09 4.03 2.12 -1.26 -1.28 118.70 127.41 2cqi s GLU 77 Ca -0.03 1.83 -0.14 0.00 0.36 0.00 0.00 54.97 56.99 2cqi s GLU 77 Cb -0.15 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.36 2cqi s GLU 77 CO -0.05 -0.75 0.33 0.14 -0.54 0.00 0.00 175.26 174.39 2cqi s VAL 78 N 3.66 5.22 -0.27 3.70 -7.23 0.70 -4.75 120.40 121.43 2cqi s VAL 78 Ca 0.61 0.65 -0.13 0.00 -1.81 0.00 0.00 61.98 61.30 2cqi s VAL 78 Cb -0.25 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 2cqi s VAL 78 CO 0.19 0.48 0.26 -1.59 -0.31 0.00 0.00 175.10 174.14 2cqi s LYS 79 N -0.27 3.99 -0.11 4.82 -2.85 0.68 -0.45 119.74 125.55 2cqi s LYS 79 Ca 0.20 -0.17 0.01 0.00 -1.00 0.00 0.00 55.97 55.02 2cqi s LYS 79 Cb -0.14 -3.65 -0.01 0.00 -2.06 0.00 0.00 37.83 31.97 2cqi s LYS 79 CO 0.08 -0.20 -0.17 0.08 0.10 0.00 0.00 175.35 175.25 2cqi s VAL 80 N 1.81 2.75 0.16 1.79 1.01 -1.26 -0.52 120.40 126.14 2cqi s VAL 80 Ca 0.10 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2cqi s VAL 80 Cb -0.16 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2cqi s VAL 80 CO 0.10 0.54 0.21 0.21 0.00 0.00 0.00 175.10 176.16 2cqi s ASN 81 N 0.27 0.12 -0.02 3.32 2.47 -0.82 -4.56 114.94 115.72 2cqi s ASN 81 Ca -0.12 -1.03 -0.30 0.00 0.42 0.00 0.00 52.86 51.83 2cqi s ASN 81 Cb -0.16 0.40 -0.07 0.00 -1.45 0.00 0.00 41.25 39.97 2cqi s ASN 81 CO 0.06 -0.86 1.72 0.26 -3.72 0.00 0.00 177.10 174.57 2cqi s TRP 82 N -4.02 1.87 -0.22 0.43 0.52 -1.26 0.23 118.94 116.50 2cqi s TRP 82 Ca 0.22 0.06 -0.29 0.00 0.02 0.00 0.00 56.10 56.11 2cqi s TRP 82 Cb 0.05 -3.99 0.01 0.00 -1.15 0.00 0.00 33.47 28.38 2cqi s TRP 82 CO 0.03 -4.23 1.06 0.00 0.02 0.00 0.00 176.95 173.83 2cqi s ALA 83 N 3.98 3.67 0.31 0.98 0.00 0.43 -4.72 121.76 126.41 2cqi s ALA 83 Ca 0.77 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.99 2cqi s ALA 83 Cb -0.36 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.15 2cqi s ALA 83 CO 0.32 -1.04 0.04 0.95 0.00 0.00 0.00 175.76 176.03 2cqi s THR 84 N 3.17 1.21 0.42 0.00 -4.23 -1.26 -4.69 115.64 110.26 2cqi s THR 84 Ca 0.45 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.70 2cqi s THR 84 Cb -0.16 -2.69 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 2cqi s THR 84 CO 0.08 -0.08 1.24 0.42 -0.54 0.00 0.00 174.62 175.74 2cqi s THR 85 N -3.29 2.83 -0.06 3.99 -4.23 -1.26 -4.95 115.64 108.67 2cqi s THR 85 Ca 0.35 0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 61.26 2cqi s THR 85 Cb 0.08 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.48 2cqi s THR 85 CO 0.14 0.06 1.50 -2.16 -0.54 0.00 0.00 174.62 173.62 2cqi s PRO 86 N -2.39 4.22 0.49 3.99 0.04 -1.26 -5.00 135.00 135.09 2cqi s PRO 86 Ca 0.59 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.46 2cqi s PRO 86 Cb -0.34 -3.81 -0.08 0.00 0.04 0.00 0.00 34.50 30.30 2cqi s PRO 86 CO 0.43 -0.74 0.99 -1.12 0.04 0.00 0.00 177.00 176.60 2cqi s SER 87 N 2.61 6.58 0.72 6.66 0.01 -1.26 -5.02 113.70 123.99 2cqi s SER 87 Ca 0.67 1.70 -0.15 0.00 1.31 0.00 0.00 55.95 59.47 2cqi s SER 87 Cb -0.30 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.43 2cqi s SER 87 CO 0.25 -0.61 1.19 -0.94 0.41 0.00 0.00 173.24 173.54 2cqi s SER 88 N -2.57 4.34 0.60 2.44 1.04 -1.26 -4.93 113.70 113.36 2cqi s SER 88 Ca 0.62 2.30 -0.18 0.00 0.48 0.00 0.00 55.95 59.17 2cqi s SER 88 Cb -0.11 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.35 2cqi s SER 88 CO 0.24 -2.16 0.63 1.67 0.98 0.00 0.00 173.24 174.60 2cqi n GLN 89 N -2.66 0.57 -2.81 4.02 -0.06 -1.26 -4.88 117.38 110.30 2cqi n GLN 89 Ca 0.13 0.23 -0.43 0.00 -2.00 0.00 0.00 57.00 54.93 2cqi n GLN 89 Cb 0.50 -1.83 -0.04 0.00 -4.06 0.00 0.00 30.24 24.82 2cqi n GLN 89 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2cqi s LYS 90 N -2.34 3.14 -0.18 3.69 -0.14 -1.26 -4.99 119.74 117.66 2cqi s LYS 90 Ca 0.70 -0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 54.33 2cqi s LYS 90 Cb -0.42 -4.21 -0.05 0.00 -1.68 0.00 0.00 37.83 31.47 2cqi s LYS 90 CO 0.53 -1.84 2.07 0.45 -0.76 0.00 0.00 175.35 175.79 2cqi s SER 91 N 3.62 5.79 0.00 2.83 0.15 -1.26 -4.80 113.70 120.03 2cqi s SER 91 Ca 0.25 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.86 2cqi s SER 91 Cb -0.15 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2cqi s SER 91 CO 0.12 -1.68 0.00 0.61 1.20 0.00 0.00 173.24 173.48 2cqi n GLY 92 N 5.37 -1.62 3.77 9.45 0.00 -1.26 -5.14 105.19 115.77 2cqi n GLY 92 Ca 0.26 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.79 3.17 0.00 1.61 0.04 -1.26 -4.98 135.00 131.79 2cqi s PRO 93 Ca 0.00 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2cqi s PRO 93 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2cqi s PRO 93 CO 0.00 -0.98 0.00 0.45 0.04 0.00 0.00 177.00 176.51 2cqi n SER 94 N -1.68 1.21 -4.78 6.66 2.88 -1.26 -5.08 113.62 111.57 2cqi n SER 94 Ca 0.11 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.33 2cqi n SER 94 Cb 0.51 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.02 2cqi n SER 94 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqi s SER 95 N -4.30 5.19 0.00 -3.46 1.04 -1.26 -5.33 113.70 105.59 2cqi s SER 95 Ca 0.00 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2cqi s SER 95 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2cqi s SER 95 CO 0.00 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.26