#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 1.89 -4.80 1.61 7.64 -1.26 -4.60 113.62 114.10 2cqi n SER -5 Ca 0.00 0.41 -0.36 0.00 1.01 0.00 0.00 58.87 59.92 2cqi n SER -5 Cb 0.00 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.22 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 -6.98 7.19 0.00 6.43 0.15 -1.26 -4.26 113.70 114.97 2cqi s SER -4 Ca -0.31 1.62 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2cqi s SER -4 Cb 0.08 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2cqi s SER -4 CO 0.54 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.57 2cqi n GLY -3 N 0.63 1.54 3.77 9.45 0.00 -1.26 -4.92 105.19 114.39 2cqi n GLY -3 Ca -0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2cqi n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqi s SER -2 N 0.00 6.59 -0.68 1.61 0.01 -1.26 -4.92 113.70 115.06 2cqi s SER -2 Ca 0.00 2.82 -0.02 0.00 1.31 0.00 0.00 55.95 60.06 2cqi s SER -2 Cb 0.00 -2.65 0.41 0.00 0.21 0.00 0.00 66.02 63.99 2cqi s SER -2 CO 0.00 -0.69 2.05 -1.20 0.41 0.00 0.00 173.24 173.81 2cqi n SER -1 N 0.97 7.60 -0.92 2.44 7.64 -1.26 -4.79 113.62 125.29 2cqi n SER -1 Ca 0.02 -3.75 -0.01 0.00 1.01 0.00 0.00 58.87 56.14 2cqi n SER -1 Cb 0.40 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 -0.75 0.60 0.25 0.23 0.00 -1.26 -4.91 105.19 99.34 2cqi n GLY 0 Ca 0.59 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2cqi n GLY 0 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cqi n MET 1 N -0.96 -0.06 -3.76 1.61 2.00 -1.26 -3.74 117.12 110.95 2cqi n MET 1 Ca -0.01 1.08 -0.26 0.00 0.00 0.00 0.00 57.70 58.52 2cqi n MET 1 Cb 0.51 -1.73 -0.17 0.00 0.00 0.00 0.00 33.22 31.82 2cqi n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cqi s MET 2 N -5.62 0.67 0.13 0.03 0.00 -1.26 -5.14 119.30 108.12 2cqi s MET 2 Ca -0.09 -0.19 0.11 0.00 0.00 0.00 0.00 55.69 55.52 2cqi s MET 2 Cb 0.21 -1.61 -0.04 0.00 0.00 0.00 0.00 34.83 33.40 2cqi s MET 2 CO 0.57 -0.48 -0.26 -1.21 0.00 0.00 0.00 175.02 173.63 2cqi s GLU 3 N 1.90 1.39 -1.47 3.16 2.02 -1.25 -4.72 118.70 119.74 2cqi s GLU 3 Ca 0.02 -1.35 -0.18 0.00 0.02 0.00 0.00 54.97 53.48 2cqi s GLU 3 Cb -0.15 -1.86 0.18 0.00 0.10 0.00 0.00 34.13 32.41 2cqi s GLU 3 CO -0.07 0.44 0.46 -0.25 0.02 0.00 0.00 175.26 175.86 2cqi n ASP 4 N 0.88 -1.40 -0.08 -0.19 8.00 -1.26 -4.77 116.55 117.73 2cqi n ASP 4 Ca -0.18 -0.98 -0.20 0.00 0.71 0.00 0.00 54.79 54.15 2cqi n ASP 4 Cb 0.53 -1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.26 2cqi n ASP 4 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2cqi h ASP 5 N -0.68 0.06 -1.04 -2.24 1.82 -2.02 -3.43 116.42 108.88 2cqi h ASP 5 Ca -0.47 -0.66 -0.36 0.00 -0.39 0.00 0.00 57.03 55.15 2cqi h ASP 5 Cb 1.08 -0.02 -0.33 0.00 0.68 0.00 0.00 39.33 40.74 2cqi h ASP 5 CO 0.70 1.42 -0.98 0.61 -1.61 0.00 0.00 179.24 179.38 2cqi n GLY 6 N 1.52 2.02 2.75 -0.78 0.00 -1.26 -5.12 105.19 104.32 2cqi n GLY 6 Ca -0.27 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 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 0.01 0.00 -2.24 1.61 1.13 -1.26 -4.83 117.38 111.80 2cqi n GLN 7 Ca 0.12 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.77 2cqi n GLN 7 Cb 0.76 -0.85 -0.03 0.00 0.11 0.00 0.00 30.24 30.23 2cqi n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2cqi s PRO 8 N -0.72 4.42 -0.08 -1.09 0.04 -1.26 -4.86 135.00 131.46 2cqi s PRO 8 Ca 0.54 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.75 2cqi s PRO 8 Cb -0.78 -3.17 0.20 0.00 0.04 0.00 0.00 34.50 30.80 2cqi s PRO 8 CO 0.45 -0.16 1.10 0.54 0.04 0.00 0.00 177.00 178.98 2cqi n ARG 9 N 1.95 0.79 -5.18 4.56 1.74 -1.26 -4.57 116.66 114.69 2cqi n ARG 9 Ca 0.03 -2.04 -0.30 0.00 -0.77 0.00 0.00 57.85 54.78 2cqi n ARG 9 Cb 0.43 -1.09 -0.16 0.00 -1.02 0.00 0.00 32.46 30.62 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 -1.75 1.88 -0.02 0.55 2.01 -1.26 -0.07 115.64 116.97 2cqi s THR 10 Ca 0.21 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.25 2cqi s THR 10 Cb 0.19 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 2cqi s THR 10 CO 0.00 0.53 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.58 2cqi s LEU 11 N -0.42 1.95 -0.20 4.42 1.43 -0.03 -1.99 118.68 123.84 2cqi s LEU 11 Ca 0.05 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 2cqi s LEU 11 Cb -0.10 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2cqi s LEU 11 CO 0.00 0.13 0.32 -0.47 0.23 0.00 0.00 176.35 176.56 2cqi s TYR 12 N -0.14 3.37 -0.18 0.29 6.14 0.78 -1.68 117.35 125.93 2cqi s TYR 12 Ca 0.02 0.51 -0.04 0.00 0.64 0.00 0.00 57.07 58.20 2cqi s TYR 12 Cb -0.07 -2.43 -0.02 0.00 0.42 0.00 0.00 41.96 39.87 2cqi s TYR 12 CO 0.00 0.05 -0.04 0.08 0.64 0.00 0.00 175.55 176.28 2cqi s VAL 13 N 1.10 3.68 0.29 3.14 1.01 -0.20 -1.83 120.40 127.60 2cqi s VAL 13 Ca 0.16 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2cqi s VAL 13 Cb -0.14 -2.63 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 2cqi s VAL 13 CO 0.06 0.46 0.07 -0.83 0.00 0.00 0.00 175.10 174.87 2cqi s GLY 14 N 0.81 1.92 -0.92 4.51 0.00 0.34 -1.41 107.32 112.57 2cqi s GLY 14 Ca -0.01 -1.97 -0.05 0.00 0.00 0.00 0.00 44.72 42.68 2cqi s GLY 14 CO 0.02 -1.72 0.80 -2.01 0.00 0.00 0.00 173.10 170.18 2cqi n ASN 15 N -0.59 -4.67 -4.88 1.64 5.15 -1.20 -0.87 115.26 109.84 2cqi n ASN 15 Ca -0.01 -0.37 -0.31 0.00 -0.60 0.00 0.00 54.58 53.28 2cqi n ASN 15 Cb 0.66 -3.60 -0.05 0.00 -0.53 0.00 0.00 39.78 36.26 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 -5.27 4.08 0.15 1.20 1.43 -1.15 -4.21 118.68 114.90 2cqi s LEU 16 Ca 0.36 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 54.15 2cqi s LEU 16 Cb -0.16 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.24 2cqi s LEU 16 CO 0.50 -0.17 0.81 -0.55 0.23 0.00 0.00 176.35 177.17 2cqi s SER 17 N -2.64 7.40 0.53 2.29 0.15 -1.26 -4.00 113.70 116.16 2cqi s SER 17 Ca 0.48 1.66 0.41 0.00 0.70 0.00 0.00 55.95 59.20 2cqi s SER 17 Cb -0.11 -2.51 1.60 0.00 -1.71 0.00 0.00 66.02 63.29 2cqi s SER 17 CO 0.24 0.14 1.67 -0.09 1.20 0.00 0.00 173.24 176.40 2cqi h ARG 18 N 4.69 0.03 -0.37 5.44 1.12 -1.98 1.29 114.38 124.60 2cqi h ARG 18 Ca -0.46 -0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.27 2cqi h ARG 18 Cb 1.21 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 2cqi h ARG 18 CO 0.68 0.02 -0.34 -0.44 -3.11 0.00 0.00 179.97 176.78 2cqi h ASP 19 N 0.03 0.88 -2.52 -3.80 5.19 -2.00 -3.44 116.42 110.77 2cqi h ASP 19 Ca 0.78 -0.38 -0.60 0.00 -0.62 0.00 0.00 57.03 56.21 2cqi h ASP 19 Cb 2.98 -0.25 0.10 0.00 0.18 0.00 0.00 39.33 42.34 2cqi h ASP 19 CO -0.10 1.13 0.34 0.52 -3.12 0.00 0.00 179.24 178.02 2cqi n VAL 20 N -4.06 1.46 -4.44 -1.35 0.31 0.44 -5.00 118.33 105.69 2cqi n VAL 20 Ca -0.01 -0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 63.74 2cqi n VAL 20 Cb 0.51 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.60 1.18 0.24 2.52 -4.23 -1.26 -4.89 115.64 108.60 2cqi s THR 21 Ca 0.64 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 2cqi s THR 21 Cb -0.70 -2.76 0.22 0.00 1.34 0.00 0.00 72.50 70.60 2cqi s THR 21 CO 0.56 -0.03 1.90 -0.08 -0.54 0.00 0.00 174.62 176.43 2cqi h GLU 22 N 2.15 1.23 -0.44 3.99 4.22 -1.94 -1.96 114.58 121.82 2cqi h GLU 22 Ca -0.41 -0.09 -0.07 0.00 0.08 0.00 0.00 59.36 58.88 2cqi h GLU 22 Cb 1.24 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2cqi h GLU 22 CO 0.69 0.83 -0.00 -0.24 -2.18 0.00 0.00 179.01 178.11 2cqi h VAL 23 N 1.26 1.26 -0.11 0.32 3.04 -1.96 -2.32 116.25 117.75 2cqi h VAL 23 Ca 0.34 -1.05 0.02 0.00 -1.01 0.00 0.00 66.70 65.00 2cqi h VAL 23 Cb -0.11 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 2cqi h VAL 23 CO -0.07 0.36 0.01 0.25 -1.01 0.00 0.00 177.57 177.11 2cqi h LEU 24 N 0.63 -0.02 -0.28 3.16 6.46 -1.87 -1.22 115.31 122.16 2cqi h LEU 24 Ca 0.12 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2cqi h LEU 24 Cb 0.50 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2cqi h LEU 24 CO 0.02 0.01 0.10 0.40 -0.62 0.00 0.00 178.44 178.35 2cqi h ILE 25 N 0.05 0.94 -0.20 4.05 1.08 -1.33 -1.49 117.51 120.61 2cqi h ILE 25 Ca 0.05 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 2cqi h ILE 25 Cb 0.05 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 2cqi h ILE 25 CO -0.08 0.04 0.13 -0.07 -0.69 0.00 0.00 178.15 177.49 2cqi h LEU 26 N 0.23 0.14 -0.04 1.44 3.38 -1.16 0.58 115.31 119.88 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 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2cqi h LEU 26 CO -0.12 0.09 -0.01 1.56 0.09 0.00 0.00 178.44 180.05 2cqi h GLN 27 N 0.16 0.08 -0.17 1.13 1.08 -0.22 0.41 115.11 117.58 2cqi h GLN 27 Ca 0.08 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2cqi h GLN 27 Cb 0.14 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2cqi h GLN 27 CO -0.01 0.45 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.21 2cqi h LEU 28 N -0.30 0.32 -0.94 1.46 3.38 -0.89 -2.83 115.31 115.51 2cqi h LEU 28 Ca 0.01 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 2cqi h LEU 28 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2cqi h LEU 28 CO 0.00 0.60 -0.30 -0.26 0.09 0.00 0.00 178.44 178.57 2cqi h PHE 29 N 0.03 0.46 -0.68 1.13 -1.00 -0.95 -2.86 116.94 113.07 2cqi h PHE 29 Ca 0.04 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2cqi h PHE 29 Cb 0.45 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 2cqi h PHE 29 CO 0.05 0.67 0.44 1.03 -1.61 0.00 0.00 178.31 178.88 2cqi h SER 30 N 0.35 0.78 -0.72 2.17 0.87 -0.08 -1.41 113.55 115.52 2cqi h SER 30 Ca 0.05 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2cqi h SER 30 Cb 0.71 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 2cqi h SER 30 CO 0.05 0.58 0.47 1.56 -0.53 0.00 0.00 176.83 178.97 2cqi h GLN 31 N 0.92 0.74 0.02 2.24 4.20 -1.26 -2.83 115.11 119.14 2cqi h GLN 31 Ca 0.25 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 2cqi h GLN 31 Cb -0.09 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.53 2cqi h GLN 31 CO -0.05 0.49 -0.16 0.82 -0.67 0.00 0.00 178.83 179.27 2cqi h ILE 32 N 0.77 1.70 -2.89 2.54 2.04 -1.42 -3.49 117.51 116.75 2cqi h ILE 32 Ca 0.31 -2.25 0.07 0.00 1.00 0.00 0.00 64.86 63.99 2cqi h ILE 32 Cb 0.23 3.21 -0.04 0.00 -0.74 0.00 0.00 36.82 39.48 2cqi h ILE 32 CO -0.10 0.60 0.28 -0.83 0.00 0.00 0.00 178.15 178.10 2cqi s GLY 33 N -4.15 -0.03 0.06 5.37 0.00 -0.61 -4.95 107.32 103.02 2cqi s GLY 33 Ca -0.18 -0.33 -0.31 0.00 0.00 0.00 0.00 44.72 43.91 2cqi s GLY 33 CO 0.72 -0.04 1.40 2.56 0.00 0.00 0.00 173.10 177.73 2cqi s PRO 34 N -3.50 4.31 -0.23 2.90 0.04 -1.26 -3.77 135.00 133.47 2cqi s PRO 34 Ca 0.12 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 2cqi s PRO 34 Cb -0.05 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2cqi s PRO 34 CO 0.07 -0.50 0.11 0.00 0.04 0.00 0.00 177.00 176.72 2cqi h LYS 36 N 7.69 -0.14 -1.63 0.00 1.63 0.49 -3.47 116.57 121.14 2cqi h LYS 36 Ca -0.37 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.49 2cqi h LYS 36 Cb 1.18 0.03 -0.23 0.00 -0.60 0.00 0.00 32.23 32.61 2cqi h LYS 36 CO 0.62 0.05 0.47 0.45 -3.45 0.00 0.00 179.45 177.59 2cqi s SER 37 N -5.21 -0.43 -0.07 4.20 0.15 -1.19 -5.03 113.70 106.11 2cqi s SER 37 Ca -0.14 0.57 0.02 0.00 0.70 0.00 0.00 55.95 57.10 2cqi s SER 37 Cb 0.04 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2cqi s SER 37 CO 0.64 -0.33 -0.14 0.00 1.20 0.00 0.00 173.24 174.61 2cqi s LYS 39 N 0.66 2.27 -0.28 0.00 2.20 -0.55 -4.95 119.74 119.09 2cqi s LYS 39 Ca -0.14 -1.08 -0.19 0.00 -0.36 0.00 0.00 55.97 54.20 2cqi s LYS 39 Cb -0.16 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 2cqi s LYS 39 CO 0.04 -0.46 0.56 1.41 -0.36 0.00 0.00 175.35 176.54 2cqi s MET 40 N 1.25 3.97 -0.31 4.03 -2.45 -1.26 -0.41 119.30 124.12 2cqi s MET 40 Ca -0.04 0.29 -0.07 0.00 -1.25 0.00 0.00 55.69 54.62 2cqi s MET 40 Cb -0.18 -3.69 0.02 0.00 1.25 0.00 0.00 34.83 32.23 2cqi s MET 40 CO -0.08 -0.46 0.09 0.42 1.05 0.00 0.00 175.02 176.05 2cqi s ILE 41 N 2.44 3.95 -0.24 10.11 1.01 0.13 -4.94 121.20 133.65 2cqi s ILE 41 Ca 0.23 -0.80 0.18 0.00 0.00 0.00 0.00 60.65 60.26 2cqi s ILE 41 Cb -0.15 -3.09 0.48 0.00 0.01 0.00 0.00 42.46 39.71 2cqi s ILE 41 CO 0.10 0.01 1.14 0.35 0.00 0.00 0.00 174.94 176.54 2cqi n THR 42 N 4.86 1.51 0.24 2.92 -2.24 -1.26 -2.17 114.28 118.15 2cqi n THR 42 Ca -0.14 -3.07 0.12 0.00 -2.27 0.00 0.00 64.05 58.70 2cqi n THR 42 Cb 0.47 0.54 0.58 0.00 -2.10 0.00 0.00 70.33 69.83 2cqi n THR 42 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2cqi h GLU 43 N 2.23 0.00 -6.20 -0.78 4.11 -1.96 -3.44 114.58 108.55 2cqi h GLU 43 Ca -0.01 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.89 2cqi h GLU 43 Cb 1.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 2cqi h GLU 43 CO 0.32 0.16 -0.35 -3.38 0.07 0.00 0.00 179.01 175.82 2cqi s HIS 44 N -3.80 3.48 0.00 2.06 -3.43 -1.26 -5.01 115.29 107.34 2cqi s HIS 44 Ca -0.00 0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 2cqi s HIS 44 Cb 0.11 -1.82 0.00 0.00 -1.43 0.00 0.00 32.58 29.44 2cqi s HIS 44 CO 0.60 0.40 0.00 -2.37 -2.00 0.00 0.00 174.74 171.37 2cqi n THR 45 N -0.67 0.00 -0.10 -5.38 5.66 -1.26 -4.75 114.28 107.77 2cqi n THR 45 Ca -0.05 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.88 2cqi n THR 45 Cb 0.54 0.14 0.01 0.00 -1.55 0.00 0.00 70.33 69.46 2cqi n THR 45 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2cqi h SER 46 N 0.00 0.23 -2.48 1.09 0.87 -2.00 -3.43 113.55 107.83 2cqi h SER 46 Ca 0.00 0.02 -0.59 0.00 -1.23 0.00 0.00 61.79 59.99 2cqi h SER 46 Cb 0.19 -0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 62.01 2cqi h SER 46 CO 0.00 0.17 -0.69 0.54 -0.53 0.00 0.00 176.83 176.32 2cqi s ASN 47 N -5.41 4.30 0.62 6.23 2.20 -1.26 -5.10 114.94 116.52 2cqi s ASN 47 Ca -0.13 -0.68 -0.17 0.00 -0.94 0.00 0.00 52.86 50.93 2cqi s ASN 47 Cb 0.11 -0.72 -0.06 0.00 -2.00 0.00 0.00 41.25 38.58 2cqi s ASN 47 CO 0.71 0.04 0.66 -0.90 -2.94 0.00 0.00 177.10 174.67 2cqi n ASP 48 N -0.53 -0.56 -4.69 3.54 5.68 -1.26 -4.90 116.55 113.82 2cqi n ASP 48 Ca -0.08 0.71 -0.29 0.00 -0.50 0.00 0.00 54.79 54.63 2cqi n ASP 48 Cb 0.58 -1.25 0.16 0.00 -1.14 0.00 0.00 41.12 39.47 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 -2.49 0.77 0.00 0.11 0.04 -1.26 -4.67 135.00 127.50 2cqi s PRO 49 Ca 0.70 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 2cqi s PRO 49 Cb -0.41 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2cqi s PRO 49 CO 0.53 -2.53 0.22 1.52 0.04 0.00 0.00 177.00 176.78 2cqi s TYR 50 N -2.95 -0.06 0.05 0.56 1.13 -0.92 -2.94 117.35 112.23 2cqi s TYR 50 Ca 0.65 0.02 0.02 0.00 -1.41 0.00 0.00 57.07 56.35 2cqi s TYR 50 Cb -0.18 0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.67 2cqi s TYR 50 CO 0.57 -0.35 -0.07 0.00 -2.51 0.00 0.00 175.55 173.19 2cqi s PHE 52 N -1.99 3.13 -0.18 0.00 0.08 0.45 -1.03 117.98 118.44 2cqi s PHE 52 Ca -0.05 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 56.97 2cqi s PHE 52 Cb -0.06 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2cqi s PHE 52 CO -0.01 0.18 -0.15 0.08 -0.10 0.00 0.00 175.22 175.22 2cqi s VAL 53 N -0.05 1.80 -0.10 -0.44 1.01 -0.68 -1.47 120.40 120.47 2cqi s VAL 53 Ca 0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2cqi s VAL 53 Cb -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2cqi s VAL 53 CO 0.02 0.40 -0.08 -0.70 0.00 0.00 0.00 175.10 174.74 2cqi s GLU 54 N 1.37 3.09 0.37 2.72 2.12 -0.87 -0.86 118.70 126.65 2cqi s GLU 54 Ca 0.03 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.85 2cqi s GLU 54 Cb -0.14 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.57 2cqi s GLU 54 CO -0.11 0.45 0.31 -0.06 -0.54 0.00 0.00 175.26 175.31 2cqi s PHE 55 N -0.25 2.79 0.07 5.30 0.40 0.90 0.11 117.98 127.30 2cqi s PHE 55 Ca 0.03 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.84 2cqi s PHE 55 Cb -0.13 -1.94 -0.25 0.00 0.51 0.00 0.00 43.02 41.21 2cqi s PHE 55 CO 0.03 0.07 1.16 1.88 0.70 0.00 0.00 175.22 179.06 2cqi h TYR 56 N 1.20 0.92 -1.99 0.36 -1.99 -1.86 -3.42 116.97 110.19 2cqi h TYR 56 Ca -0.43 -0.56 -0.61 0.00 2.00 0.00 0.00 58.73 59.13 2cqi h TYR 56 Cb 1.26 -0.08 -0.13 0.00 2.00 0.00 0.00 36.73 39.78 2cqi h TYR 56 CO 0.54 1.40 -0.68 -1.21 -0.00 0.00 0.00 178.16 178.21 2cqi s GLU 57 N -3.07 1.87 0.13 4.88 0.41 -1.26 -5.05 118.70 116.61 2cqi s GLU 57 Ca -0.08 -1.84 -0.08 0.00 -0.41 0.00 0.00 54.97 52.56 2cqi s GLU 57 Cb 0.06 -1.79 -0.08 0.00 -1.78 0.00 0.00 34.13 30.55 2cqi s GLU 57 CO 0.92 0.18 1.34 1.25 -0.49 0.00 0.00 175.26 178.46 2cqi h HIS 58 N 2.01 0.83 -0.81 1.61 -0.00 -1.89 -3.02 115.15 113.88 2cqi h HIS 58 Ca -0.42 -0.39 0.02 0.00 -0.00 0.00 0.00 60.37 59.59 2cqi h HIS 58 Cb 1.25 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 28.50 2cqi h HIS 58 CO 0.76 1.19 0.53 0.07 -0.00 0.00 0.00 177.93 180.48 2cqi h ARG 59 N 0.39 1.01 -0.25 5.26 0.11 -1.97 -0.90 114.38 118.05 2cqi h ARG 59 Ca -0.06 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 2cqi h ARG 59 Cb 1.42 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 2cqi h ARG 59 CO 0.15 0.67 0.07 -0.44 0.10 0.00 0.00 179.97 180.52 2cqi h ASP 60 N 1.04 0.37 -0.78 0.08 3.32 -1.97 0.00 116.42 118.49 2cqi h ASP 60 Ca 0.32 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2cqi h ASP 60 Cb -0.03 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 2cqi h ASP 60 CO -0.10 0.49 0.51 0.00 -1.72 0.00 0.00 179.24 178.42 2cqi h ALA 61 N 0.89 1.00 -0.43 3.45 0.00 -1.34 0.13 119.26 122.96 2cqi h ALA 61 Ca 0.08 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2cqi h ALA 61 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2cqi h ALA 61 CO -0.00 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 179.34 2cqi h ALA 62 N 1.30 0.61 -0.19 0.00 0.00 -1.03 0.32 119.26 120.28 2cqi h ALA 62 Ca 0.29 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2cqi h ALA 62 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2cqi h ALA 62 CO -0.08 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 2cqi h ALA 63 N 0.82 0.25 -0.07 0.00 0.00 -0.58 -2.36 119.26 117.32 2cqi h ALA 63 Ca 0.09 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2cqi h ALA 63 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2cqi h ALA 63 CO 0.08 -0.03 -0.70 0.00 0.00 0.00 0.00 179.25 178.60 2cqi h ALA 64 N 0.77 0.67 0.09 0.00 0.00 -0.76 -2.21 119.26 117.81 2cqi h ALA 64 Ca 0.05 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2cqi h ALA 64 Cb 0.40 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2cqi h ALA 64 CO 0.01 0.77 -0.06 1.25 0.00 0.00 0.00 179.25 181.21 2cqi h LEU 65 N 0.23 -0.16 -0.39 0.00 5.85 -0.30 0.38 115.31 120.92 2cqi h LEU 65 Ca -0.02 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2cqi h LEU 65 Cb 1.26 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2cqi h LEU 65 CO 0.12 -0.10 -0.16 0.00 -0.34 0.00 0.00 178.44 177.95 2cqi h ALA 66 N 0.76 0.54 0.00 1.25 0.00 -1.47 1.44 119.26 121.77 2cqi h ALA 66 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2cqi h ALA 66 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2cqi h ALA 66 CO -0.00 0.47 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 2cqi h ALA 67 N 0.82 1.14 0.00 0.00 0.00 -1.23 -2.76 119.26 117.22 2cqi h ALA 67 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cqi h ALA 67 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2cqi h ALA 67 CO 0.05 0.16 -1.47 -1.33 0.00 0.00 0.00 179.25 176.66 2cqi n MET 68 N -3.44 0.84 -1.54 0.00 2.81 0.13 -4.71 117.12 111.21 2cqi n MET 68 Ca -0.01 -0.11 -0.38 0.00 -1.81 0.00 0.00 57.70 55.39 2cqi n MET 68 Cb 0.29 -1.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.87 2.00 -1.20 7.83 5.15 0.49 -0.92 115.26 126.74 2cqi n ASN 69 Ca -0.01 -0.32 -0.08 0.00 -0.60 0.00 0.00 54.58 53.58 2cqi n ASN 69 Cb 0.39 -1.46 0.01 0.00 -0.53 0.00 0.00 39.78 38.19 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 6.11 0.29 3.87 8.20 0.00 0.58 -4.84 105.19 119.40 2cqi n GLY 70 Ca 0.42 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2cqi n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cqi s ARG 71 N -4.95 3.59 -0.35 1.61 3.52 -0.10 -4.66 118.95 117.62 2cqi s ARG 71 Ca 0.11 0.74 -0.16 0.00 -0.13 0.00 0.00 55.73 56.29 2cqi s ARG 71 Cb -0.05 -2.08 -0.01 0.00 -1.56 0.00 0.00 34.95 31.25 2cqi s ARG 71 CO 0.13 -0.57 0.41 0.15 -0.81 0.00 0.00 175.30 174.61 2cqi s LYS 72 N -5.18 3.56 -0.09 5.12 -0.14 -1.26 -0.08 119.74 121.68 2cqi s LYS 72 Ca 0.55 -0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 54.79 2cqi s LYS 72 Cb -0.11 -3.81 0.03 0.00 -1.68 0.00 0.00 37.83 32.26 2cqi s LYS 72 CO 0.54 -0.57 -0.00 0.42 -0.76 0.00 0.00 175.35 174.98 2cqi s ILE 73 N 2.13 0.44 -1.30 2.17 1.01 -0.25 -4.82 121.20 120.58 2cqi s ILE 73 Ca 0.14 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 2cqi s ILE 73 Cb -0.16 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.70 2cqi s ILE 73 CO 0.12 0.23 1.13 0.18 0.00 0.00 0.00 174.94 176.60 2cqi n LEU 74 N 5.12 -3.38 0.00 2.97 4.77 -1.26 -1.23 117.00 123.99 2cqi n LEU 74 Ca -0.08 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2cqi n LEU 74 Cb 0.50 -2.94 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 2cqi n LEU 74 CO 0.11 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2cqi n GLY 75 N -1.92 0.34 3.12 -0.72 0.00 -1.26 -4.96 105.19 99.79 2cqi n GLY 75 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.82 2.76 -0.15 1.61 2.20 -0.37 -5.10 119.74 119.87 2cqi s LYS 76 Ca 0.00 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 2cqi s LYS 76 Cb 0.00 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 34.02 2cqi s LYS 76 CO 0.00 -0.06 1.23 -2.00 -0.36 0.00 0.00 175.35 174.15 2cqi s GLU 77 N 0.96 4.26 -0.10 4.03 2.12 -1.26 -1.09 118.70 127.62 2cqi s GLU 77 Ca -0.05 1.63 -0.12 0.00 0.36 0.00 0.00 54.97 56.79 2cqi s GLU 77 Cb -0.15 -3.72 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 2cqi s GLU 77 CO -0.04 -0.65 0.28 0.14 -0.54 0.00 0.00 175.26 174.45 2cqi s VAL 78 N 3.24 5.28 -0.15 3.70 -7.23 0.89 -4.77 120.40 121.36 2cqi s VAL 78 Ca 0.54 0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 61.12 2cqi s VAL 78 Cb -0.21 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.09 2cqi s VAL 78 CO 0.15 0.51 0.22 -1.59 -0.31 0.00 0.00 175.10 174.08 2cqi s LYS 79 N -0.42 4.04 -0.05 4.82 -2.85 -0.05 -0.31 119.74 124.92 2cqi s LYS 79 Ca 0.18 -0.03 0.03 0.00 -1.00 0.00 0.00 55.97 55.15 2cqi s LYS 79 Cb -0.14 -3.36 0.01 0.00 -2.06 0.00 0.00 37.83 32.28 2cqi s LYS 79 CO 0.07 0.40 -0.14 0.08 0.10 0.00 0.00 175.35 175.86 2cqi s VAL 80 N 0.01 1.22 0.09 1.79 1.01 -1.26 -0.51 120.40 122.75 2cqi s VAL 80 Ca 0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2cqi s VAL 80 Cb -0.12 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 2cqi s VAL 80 CO 0.03 0.37 0.20 0.20 0.00 0.00 0.00 175.10 175.89 2cqi s ASN 81 N 0.36 0.11 -0.03 3.32 0.01 -0.76 -4.61 114.94 113.35 2cqi s ASN 81 Ca -0.09 -0.65 -0.30 0.00 -0.71 0.00 0.00 52.86 51.11 2cqi s ASN 81 Cb -0.13 0.34 -0.07 0.00 0.41 0.00 0.00 41.25 41.80 2cqi s ASN 81 CO 0.03 -0.73 1.84 0.26 -1.51 0.00 0.00 177.10 176.99 2cqi s TRP 82 N -3.86 1.58 -1.04 2.20 0.52 -1.26 -0.16 118.94 116.92 2cqi s TRP 82 Ca 0.05 -0.10 -0.20 0.00 0.02 0.00 0.00 56.10 55.86 2cqi s TRP 82 Cb 0.05 -4.09 -0.08 0.00 -1.15 0.00 0.00 33.47 28.20 2cqi s TRP 82 CO -0.11 -4.69 1.97 0.00 0.02 0.00 0.00 176.95 174.13 2cqi n ALA 83 N 7.67 3.46 -1.77 0.98 0.00 -0.84 -4.78 120.51 125.22 2cqi n ALA 83 Ca 0.19 -3.42 -0.38 0.00 0.00 0.00 0.00 53.44 49.84 2cqi n ALA 83 Cb 0.42 -3.58 -0.05 0.00 0.00 0.00 0.00 19.45 16.23 2cqi n ALA 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2cqi s THR 84 N 5.82 3.97 0.03 0.00 -4.23 -1.26 -4.89 115.64 115.07 2cqi s THR 84 Ca 0.57 1.68 0.04 0.00 -1.18 0.00 0.00 61.69 62.81 2cqi s THR 84 Cb 0.10 -3.96 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 2cqi s THR 84 CO 0.08 0.18 -0.13 0.42 -0.54 0.00 0.00 174.62 174.63 2cqi s THR 85 N -1.51 1.03 -1.12 3.99 -4.23 -1.26 -5.07 115.64 107.47 2cqi s THR 85 Ca 0.50 -0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 59.92 2cqi s THR 85 Cb -0.22 -0.92 -0.08 0.00 1.34 0.00 0.00 72.50 72.62 2cqi s THR 85 CO 0.28 0.06 1.94 -2.16 -0.54 0.00 0.00 174.62 174.20 2cqi s PRO 86 N -0.91 2.52 0.04 3.99 0.04 -1.26 -4.93 135.00 134.49 2cqi s PRO 86 Ca 0.02 -0.96 -0.37 0.00 0.04 0.00 0.00 61.00 59.73 2cqi s PRO 86 Cb -0.07 -5.20 -0.16 0.00 0.04 0.00 0.00 34.50 29.11 2cqi s PRO 86 CO 0.01 -3.83 1.45 -1.13 0.04 0.00 0.00 177.00 173.55 2cqi n SER 87 N 14.24 2.05 -1.41 6.66 3.41 -1.26 -4.87 113.62 132.44 2cqi n SER 87 Ca 0.44 1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 60.07 2cqi n SER 87 Cb 0.47 -1.23 0.20 0.00 -0.26 0.00 0.00 64.21 63.39 2cqi n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cqi n SER 88 N 3.21 2.83 -4.51 4.04 3.41 -1.26 -5.04 113.62 116.30 2cqi n SER 88 Ca 0.19 -3.71 -0.38 0.00 -0.26 0.00 0.00 58.87 54.71 2cqi n SER 88 Cb 0.20 -0.68 0.04 0.00 -0.26 0.00 0.00 64.21 63.51 2cqi n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cqi n GLN 89 N -1.09 0.59 -0.09 4.33 10.64 -1.26 -4.95 117.38 125.55 2cqi n GLN 89 Ca 0.39 0.23 -0.18 0.00 -1.83 0.00 0.00 57.00 55.61 2cqi n GLN 89 Cb 1.18 -1.83 -0.11 0.00 -0.86 0.00 0.00 30.24 28.62 2cqi n GLN 89 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2cqi h LYS 90 N 0.26 0.00 -4.34 2.61 3.11 -2.05 -3.46 116.57 112.70 2cqi h LYS 90 Ca -0.46 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 56.78 2cqi h LYS 90 Cb 1.39 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.61 2cqi h LYS 90 CO 0.48 0.93 0.71 0.43 -2.81 0.00 0.00 179.45 179.19 2cqi n SER 91 N -4.51 0.72 -3.93 4.20 7.64 -1.26 -4.87 113.62 111.61 2cqi n SER 91 Ca -0.23 0.69 -0.29 0.00 1.01 0.00 0.00 58.87 60.05 2cqi n SER 91 Cb 0.58 -0.64 -0.13 0.00 -1.01 0.00 0.00 64.21 63.00 2cqi n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqi s GLY 92 N 3.17 2.65 0.00 0.23 0.00 -1.26 -4.92 107.32 107.20 2cqi s GLY 92 Ca 0.81 -3.51 0.11 0.00 0.00 0.00 0.00 44.72 42.13 2cqi s GLY 92 CO 0.54 1.04 1.10 -1.55 0.00 0.00 0.00 173.10 174.22 2cqi n PRO 93 N 2.64 0.49 -2.51 2.90 -0.04 -1.26 -4.82 135.00 132.40 2cqi n PRO 93 Ca 0.11 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 2cqi n PRO 93 Cb 0.33 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2cqi n PRO 93 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqi n SER 94 N -0.85 -2.16 -0.05 3.54 7.64 -1.26 -4.99 113.62 115.49 2cqi n SER 94 Ca 0.08 -0.20 -0.21 0.00 1.01 0.00 0.00 58.87 59.55 2cqi n SER 94 Cb 0.04 -2.01 -0.13 0.00 -1.01 0.00 0.00 64.21 61.10 2cqi n SER 94 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2cqi h SER 95 N -0.65 0.20 0.00 6.43 0.87 -1.98 -3.52 113.55 114.91 2cqi h SER 95 Ca -0.19 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2cqi h SER 95 Cb 1.11 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2cqi h SER 95 CO 0.17 1.59 0.00 0.61 -0.53 0.00 0.00 176.83 178.67