#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 -2.06 -4.25 1.61 3.41 -1.26 -4.90 113.62 106.17 2cqi n SER -5 Ca 0.00 -1.12 -0.38 0.00 -0.26 0.00 0.00 58.87 57.11 2cqi n SER -5 Cb 0.00 -2.27 -0.12 0.00 -0.26 0.00 0.00 64.21 61.56 2cqi n SER -5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqi s SER -4 N -3.50 5.34 0.00 4.04 0.15 -1.26 -5.03 113.70 113.43 2cqi s SER -4 Ca 0.62 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2cqi s SER -4 Cb -0.35 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2cqi s SER -4 CO 0.97 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.64 2cqi n GLY -3 N 4.80 1.49 3.70 9.45 0.00 -1.26 -4.94 105.19 118.43 2cqi n GLY -3 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2cqi n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqi s SER -2 N -1.00 6.64 -0.11 1.61 1.04 -1.26 -5.06 113.70 115.57 2cqi s SER -2 Ca 0.00 0.76 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 2cqi s SER -2 Cb 0.00 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.88 2cqi s SER -2 CO 0.00 -0.05 0.11 -0.44 0.98 0.00 0.00 173.24 173.84 2cqi s SER -1 N 0.79 1.42 0.00 7.02 0.01 -1.26 -5.12 113.70 116.56 2cqi s SER -1 Ca 0.25 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2cqi s SER -1 Cb -0.15 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2cqi s SER -1 CO 0.10 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2cqi n GLY 0 N 5.30 0.27 3.31 3.44 0.00 -1.26 -5.16 105.19 111.10 2cqi n GLY 0 Ca -0.05 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.43 1.63 -0.29 1.61 0.00 -1.26 -5.14 119.30 114.43 2cqi s MET 1 Ca 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 55.69 53.74 2cqi s MET 1 Cb 0.00 0.07 0.05 0.00 0.00 0.00 0.00 34.83 34.95 2cqi s MET 1 CO 0.00 -0.52 -0.03 1.41 0.00 0.00 0.00 175.02 175.88 2cqi s MET 2 N -3.71 2.46 -0.33 3.16 1.75 -1.26 -5.06 119.30 116.30 2cqi s MET 2 Ca 0.37 -1.24 0.01 0.00 -1.25 0.00 0.00 55.69 53.58 2cqi s MET 2 Cb 0.04 -3.10 0.10 0.00 2.84 0.00 0.00 34.83 34.71 2cqi s MET 2 CO 0.20 -0.58 0.09 -2.00 -0.65 0.00 0.00 175.02 172.08 2cqi s GLU 3 N 1.24 1.04 0.17 4.11 2.56 -1.26 -5.10 118.70 121.46 2cqi s GLU 3 Ca -0.05 -1.44 -0.15 0.00 0.00 0.00 0.00 54.97 53.33 2cqi s GLU 3 Cb -0.19 -2.48 0.02 0.00 2.00 0.00 0.00 34.13 33.48 2cqi s GLU 3 CO -0.02 -0.98 0.42 0.16 -0.56 0.00 0.00 175.26 174.28 2cqi s ASP 4 N 1.26 -0.16 -0.16 -1.70 -4.77 -1.26 -4.21 116.67 105.67 2cqi s ASP 4 Ca 0.11 -0.55 -0.12 0.00 -3.30 0.00 0.00 52.55 48.69 2cqi s ASP 4 Cb -0.18 0.51 -0.07 0.00 -1.09 0.00 0.00 42.92 42.09 2cqi s ASP 4 CO -0.17 -0.96 -0.11 -0.67 0.70 0.00 0.00 175.17 173.96 2cqi n ASP 5 N -0.27 1.83 0.00 2.11 -0.08 -1.26 -5.05 116.55 113.83 2cqi n ASP 5 Ca -0.11 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 2cqi n ASP 5 Cb 0.63 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 43.20 2cqi n ASP 5 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cqi n GLY 6 N 1.56 -0.76 2.90 0.27 0.00 -1.26 -5.06 105.19 102.84 2cqi n GLY 6 Ca -0.14 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2cqi n GLY 6 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cqi s GLN 7 N 0.00 2.41 0.20 1.61 -2.07 -1.26 -5.09 119.66 115.46 2cqi s GLN 7 Ca 0.00 -3.27 -0.30 0.00 -1.82 0.00 0.00 55.36 49.97 2cqi s GLN 7 Cb 0.00 -3.40 -0.09 0.00 -1.09 0.00 0.00 33.01 28.43 2cqi s GLN 7 CO 0.00 -1.27 1.30 -1.25 -1.32 0.00 0.00 175.29 172.76 2cqi s PRO 8 N -1.33 4.39 -0.13 9.60 0.04 -1.26 -4.75 135.00 141.56 2cqi s PRO 8 Ca 0.24 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.48 2cqi s PRO 8 Cb -0.07 -3.20 0.37 0.00 0.04 0.00 0.00 34.50 31.65 2cqi s PRO 8 CO -0.15 -0.25 1.18 0.54 0.04 0.00 0.00 177.00 178.37 2cqi n ARG 9 N 2.64 1.06 -4.85 4.56 1.74 -1.26 -4.44 116.66 116.10 2cqi n ARG 9 Ca 0.06 -2.72 -0.26 0.00 -0.77 0.00 0.00 57.85 54.16 2cqi n ARG 9 Cb 0.43 -1.14 -0.16 0.00 -1.02 0.00 0.00 32.46 30.57 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 -2.19 1.44 -0.01 0.55 2.01 -1.26 -0.15 115.64 116.03 2cqi s THR 10 Ca 0.33 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.63 2cqi s THR 10 Cb 0.33 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 2cqi s THR 10 CO -0.07 0.41 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.39 2cqi s LEU 11 N -0.09 2.01 -0.20 4.42 1.43 -0.60 -2.35 118.68 123.30 2cqi s LEU 11 Ca -0.01 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 2cqi s LEU 11 Cb -0.10 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2cqi s LEU 11 CO 0.01 0.15 0.35 -0.47 0.23 0.00 0.00 176.35 176.62 2cqi s TYR 12 N -0.26 3.37 -0.22 0.29 6.14 0.73 -1.93 117.35 125.47 2cqi s TYR 12 Ca 0.04 0.55 -0.05 0.00 0.64 0.00 0.00 57.07 58.25 2cqi s TYR 12 Cb -0.05 -2.46 -0.02 0.00 0.42 0.00 0.00 41.96 39.85 2cqi s TYR 12 CO -0.00 0.03 -0.01 0.08 0.64 0.00 0.00 175.55 176.28 2cqi s VAL 13 N 1.18 3.66 0.37 3.14 1.01 -0.06 -1.87 120.40 127.82 2cqi s VAL 13 Ca 0.17 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2cqi s VAL 13 Cb -0.14 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 2cqi s VAL 13 CO 0.07 0.41 0.05 -0.83 0.00 0.00 0.00 175.10 174.80 2cqi s GLY 14 N 1.40 2.30 -1.00 4.51 0.00 0.42 -1.00 107.32 113.95 2cqi s GLY 14 Ca 0.05 -1.95 -0.05 0.00 0.00 0.00 0.00 44.72 42.78 2cqi s GLY 14 CO -0.01 -1.92 0.86 -2.01 0.00 0.00 0.00 173.10 170.02 2cqi n ASN 15 N -0.86 -4.23 -4.85 1.64 5.15 -1.18 -1.10 115.26 109.84 2cqi n ASN 15 Ca -0.04 -0.43 -0.36 0.00 -0.60 0.00 0.00 54.58 53.14 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 -5.66 4.38 0.26 1.20 1.43 -1.21 -4.21 118.68 114.88 2cqi s LEU 16 Ca 0.30 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.08 2cqi s LEU 16 Cb -0.13 -3.02 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 2cqi s LEU 16 CO 0.56 0.18 1.06 -0.55 0.23 0.00 0.00 176.35 177.83 2cqi s SER 17 N -1.56 7.35 0.61 2.29 0.15 -1.26 -4.09 113.70 117.19 2cqi s SER 17 Ca 0.33 2.17 0.25 0.00 0.70 0.00 0.00 55.95 59.40 2cqi s SER 17 Cb -0.15 -2.62 1.11 0.00 -1.71 0.00 0.00 66.02 62.64 2cqi s SER 17 CO 0.18 -0.09 1.56 0.03 1.20 0.00 0.00 173.24 176.12 2cqi h ARG 18 N 4.08 0.00 0.00 5.44 2.47 -1.99 1.14 114.38 125.52 2cqi h ARG 18 Ca -0.46 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.03 2cqi h ARG 18 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2cqi h ARG 18 CO 0.68 0.00 -0.95 -0.44 0.56 0.00 0.00 179.97 179.82 2cqi h ASP 19 N 0.00 0.55 -2.41 7.04 3.32 -1.99 -3.45 116.42 119.47 2cqi h ASP 19 Ca 0.28 -0.44 -0.61 0.00 0.02 0.00 0.00 57.03 56.28 2cqi h ASP 19 Cb 1.93 -0.17 0.10 0.00 0.22 0.00 0.00 39.33 41.42 2cqi h ASP 19 CO -0.00 1.24 0.17 0.52 -1.72 0.00 0.00 179.24 179.45 2cqi n VAL 20 N -3.75 1.79 -4.44 -1.35 0.31 0.39 -4.99 118.33 106.29 2cqi n VAL 20 Ca -0.07 -0.45 -0.21 0.00 -0.01 0.00 0.00 64.34 63.60 2cqi n VAL 20 Cb 0.84 -1.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.66 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 -0.89 1.33 0.16 2.52 -4.23 -1.26 -4.92 115.64 108.35 2cqi s THR 21 Ca 0.61 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 2cqi s THR 21 Cb -0.72 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 70.51 2cqi s THR 21 CO 0.58 -0.13 1.77 -0.08 -0.54 0.00 0.00 174.62 176.22 2cqi h GLU 22 N 2.19 0.67 -0.63 3.99 4.22 -1.96 -2.11 114.58 120.95 2cqi h GLU 22 Ca -0.40 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 58.88 2cqi h GLU 22 Cb 1.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2cqi h GLU 22 CO 0.69 0.52 0.07 0.28 -2.18 0.00 0.00 179.01 178.40 2cqi h VAL 23 N 0.63 1.26 0.05 0.32 2.07 -1.96 -2.38 116.25 116.24 2cqi h VAL 23 Ca 0.17 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2cqi h VAL 23 Cb 0.05 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2cqi h VAL 23 CO -0.03 0.39 -0.06 0.25 0.02 0.00 0.00 177.57 178.14 2cqi h LEU 24 N 0.97 -0.17 -0.28 2.57 6.46 -1.90 -0.78 115.31 122.20 2cqi h LEU 24 Ca 0.19 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.99 2cqi h LEU 24 Cb 0.46 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2cqi h LEU 24 CO 0.02 -0.10 0.12 0.40 -0.62 0.00 0.00 178.44 178.26 2cqi h ILE 25 N -0.13 0.96 -0.32 4.05 1.08 -1.31 -1.65 117.51 120.19 2cqi h ILE 25 Ca 0.01 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.42 2cqi h ILE 25 Cb 0.14 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2cqi h ILE 25 CO -0.03 0.05 0.21 -0.07 -0.69 0.00 0.00 178.15 177.62 2cqi h LEU 26 N 0.26 0.28 -0.11 1.44 3.38 -1.22 0.88 115.31 120.21 2cqi h LEU 26 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2cqi h LEU 26 Cb 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2cqi h LEU 26 CO -0.10 0.19 -0.04 1.56 0.09 0.00 0.00 178.44 180.15 2cqi h GLN 27 N 0.32 0.23 -0.27 1.13 1.08 -0.24 0.44 115.11 117.79 2cqi h GLN 27 Ca 0.13 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 2cqi h GLN 27 Cb 0.11 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2cqi h GLN 27 CO -0.03 0.54 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.22 2cqi h LEU 28 N -0.10 0.57 -0.78 1.46 3.38 -0.84 -2.98 115.31 116.01 2cqi h LEU 28 Ca 0.03 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2cqi h LEU 28 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2cqi h LEU 28 CO 0.01 0.83 -0.48 -0.26 0.09 0.00 0.00 178.44 178.64 2cqi h PHE 29 N 0.30 0.38 -0.64 1.13 -1.00 -0.87 -2.99 116.94 113.24 2cqi h PHE 29 Ca 0.06 -0.12 0.03 0.00 2.81 0.00 0.00 57.97 60.75 2cqi h PHE 29 Cb 0.60 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.05 2cqi h PHE 29 CO 0.06 0.74 0.42 1.03 -1.61 0.00 0.00 178.31 178.95 2cqi h SER 30 N 0.25 0.67 -0.29 2.17 0.87 -0.02 -0.88 113.55 116.31 2cqi h SER 30 Ca 0.01 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2cqi h SER 30 Cb 0.94 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2cqi h SER 30 CO 0.08 0.47 0.20 1.56 -0.53 0.00 0.00 176.83 178.60 2cqi h GLN 31 N 0.78 0.24 0.00 2.24 4.20 -1.37 -2.93 115.11 118.27 2cqi h GLN 31 Ca 0.25 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 2cqi h GLN 31 Cb 0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2cqi h GLN 31 CO -0.07 0.16 -0.39 0.82 -0.67 0.00 0.00 178.83 178.68 2cqi h ILE 32 N 0.24 1.42 -3.12 2.54 2.04 -1.32 -3.50 117.51 115.82 2cqi h ILE 32 Ca 0.12 -2.21 0.03 0.00 1.00 0.00 0.00 64.86 63.80 2cqi h ILE 32 Cb 0.19 2.83 -0.05 0.00 -0.74 0.00 0.00 36.82 39.05 2cqi h ILE 32 CO -0.02 0.48 0.18 -0.83 0.00 0.00 0.00 178.15 177.95 2cqi s GLY 33 N -4.38 0.11 0.09 5.37 0.00 -0.63 -4.96 107.32 102.91 2cqi s GLY 33 Ca -0.21 -0.49 -0.31 0.00 0.00 0.00 0.00 44.72 43.71 2cqi s GLY 33 CO 0.62 -0.22 1.38 2.56 0.00 0.00 0.00 173.10 177.44 2cqi s PRO 34 N -3.68 4.32 -0.21 2.90 0.04 -1.26 -3.84 135.00 133.27 2cqi s PRO 34 Ca 0.14 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 2cqi s PRO 34 Cb -0.05 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2cqi s PRO 34 CO 0.08 -0.46 0.11 0.00 0.04 0.00 0.00 177.00 176.77 2cqi h LYS 36 N 7.19 0.12 -1.61 0.00 1.63 -0.15 -3.47 116.57 120.27 2cqi h LYS 36 Ca -0.38 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 59.40 2cqi h LYS 36 Cb 1.17 0.01 -0.24 0.00 -0.60 0.00 0.00 32.23 32.57 2cqi h LYS 36 CO 0.68 0.71 0.48 0.45 -3.45 0.00 0.00 179.45 178.31 2cqi s SER 37 N -6.00 -0.43 -0.06 4.20 0.15 -1.19 -5.03 113.70 105.34 2cqi s SER 37 Ca -0.16 0.63 0.02 0.00 0.70 0.00 0.00 55.95 57.14 2cqi s SER 37 Cb 0.02 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2cqi s SER 37 CO 0.71 -0.28 -0.12 0.00 1.20 0.00 0.00 173.24 174.75 2cqi s LYS 39 N 0.61 2.27 -0.25 0.00 2.20 -0.64 -4.96 119.74 118.97 2cqi s LYS 39 Ca -0.13 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 54.48 2cqi s LYS 39 Cb -0.15 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 2cqi s LYS 39 CO 0.03 -0.37 0.40 1.41 -0.36 0.00 0.00 175.35 176.46 2cqi s MET 40 N 1.36 4.07 -0.22 4.03 -2.45 -1.26 -0.24 119.30 124.60 2cqi s MET 40 Ca 0.00 0.12 -0.03 0.00 -1.25 0.00 0.00 55.69 54.53 2cqi s MET 40 Cb -0.15 -3.62 -0.01 0.00 1.25 0.00 0.00 34.83 32.30 2cqi s MET 40 CO -0.09 -0.22 -0.06 0.42 1.05 0.00 0.00 175.02 176.12 2cqi s ILE 41 N 1.89 3.25 -0.20 10.11 1.01 0.68 -4.97 121.20 132.96 2cqi s ILE 41 Ca 0.17 -0.53 0.15 0.00 0.00 0.00 0.00 60.65 60.43 2cqi s ILE 41 Cb -0.15 -2.47 0.45 0.00 0.01 0.00 0.00 42.46 40.29 2cqi s ILE 41 CO 0.09 0.43 1.18 0.35 0.00 0.00 0.00 174.94 177.00 2cqi n THR 42 N 4.77 1.73 -0.13 2.92 -2.24 -1.26 -2.09 114.28 117.98 2cqi n THR 42 Ca -0.18 -3.06 -0.12 0.00 -2.27 0.00 0.00 64.05 58.42 2cqi n THR 42 Cb 0.51 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.62 0.80 -4.36 -0.78 5.08 -1.95 -3.38 114.58 111.62 2cqi h GLU 43 Ca 0.04 -0.36 -0.74 0.00 -1.00 0.00 0.00 59.36 57.31 2cqi h GLU 43 Cb 1.38 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.39 2cqi h GLU 43 CO 0.28 0.98 0.17 -1.01 -1.00 0.00 0.00 179.01 178.43 2cqi s HIS 44 N -4.61 3.31 -0.46 4.33 3.76 -1.26 -4.90 115.29 115.46 2cqi s HIS 44 Ca -0.12 -1.42 -0.01 0.00 -0.15 0.00 0.00 55.06 53.35 2cqi s HIS 44 Cb 0.10 -3.96 0.32 0.00 1.11 0.00 0.00 32.58 30.15 2cqi s HIS 44 CO 0.83 -1.18 2.01 -2.37 -0.85 0.00 0.00 174.74 173.18 2cqi n THR 45 N 4.97 3.11 -0.01 1.30 5.66 -1.26 -4.49 114.28 123.56 2cqi n THR 45 Ca 0.03 -2.14 -0.10 0.00 -3.05 0.00 0.00 64.05 58.79 2cqi n THR 45 Cb 0.45 -1.23 -0.08 0.00 -1.55 0.00 0.00 70.33 67.91 2cqi n THR 45 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2cqi h SER 46 N 1.64 -0.08 0.00 1.09 0.02 -1.96 -3.45 113.55 110.81 2cqi h SER 46 Ca 0.42 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2cqi h SER 46 Cb 0.95 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2cqi h SER 46 CO 1.09 0.61 -0.15 0.59 -1.14 0.00 0.00 176.83 177.84 2cqi n ASN 47 N -4.79 0.86 -3.56 3.07 3.02 -1.26 -5.12 115.26 107.48 2cqi n ASN 47 Ca -0.07 0.12 -0.17 0.00 -0.03 0.00 0.00 54.58 54.43 2cqi n ASN 47 Cb 0.29 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 2cqi n ASN 47 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2cqi s ASP 48 N -5.57 -0.63 1.11 6.41 1.47 -1.26 -5.07 116.67 113.12 2cqi s ASP 48 Ca -0.04 0.80 -0.16 0.00 1.18 0.00 0.00 52.55 54.33 2cqi s ASP 48 Cb 0.01 0.69 0.24 0.00 -0.34 0.00 0.00 42.92 43.52 2cqi s ASP 48 CO 0.06 -0.52 1.10 -2.16 0.68 0.00 0.00 175.17 174.33 2cqi s PRO 49 N -0.90 -0.45 -0.04 2.11 0.04 -1.26 -4.67 135.00 129.84 2cqi s PRO 49 Ca -0.09 0.23 -0.20 0.00 0.04 0.00 0.00 61.00 60.98 2cqi s PRO 49 Cb -0.01 -1.66 0.04 0.00 0.04 0.00 0.00 34.50 32.90 2cqi s PRO 49 CO 0.08 -3.26 0.43 1.52 0.04 0.00 0.00 177.00 175.81 2cqi s TYR 50 N -2.97 -0.35 0.10 0.56 1.13 -0.89 -3.09 117.35 111.83 2cqi s TYR 50 Ca 0.68 0.61 0.03 0.00 -1.41 0.00 0.00 57.07 56.98 2cqi s TYR 50 Cb -0.15 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.87 2cqi s TYR 50 CO 0.57 -0.44 -0.08 0.00 -2.51 0.00 0.00 175.55 173.09 2cqi s PHE 52 N -3.02 2.97 -0.20 0.00 0.08 0.67 -0.89 117.98 117.60 2cqi s PHE 52 Ca 0.08 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2cqi s PHE 52 Cb 0.01 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2cqi s PHE 52 CO -0.02 0.23 -0.11 0.08 -0.10 0.00 0.00 175.22 175.30 2cqi s VAL 53 N -0.48 1.65 -0.18 -0.44 1.01 -0.81 -1.62 120.40 119.53 2cqi s VAL 53 Ca 0.07 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2cqi s VAL 53 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2cqi s VAL 53 CO 0.02 0.19 0.03 -0.70 0.00 0.00 0.00 175.10 174.65 2cqi s GLU 54 N 1.40 3.88 0.34 2.72 2.12 -0.71 -1.55 118.70 126.90 2cqi s GLU 54 Ca -0.01 -0.40 0.07 0.00 0.36 0.00 0.00 54.97 55.00 2cqi s GLU 54 Cb -0.16 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2cqi s GLU 54 CO -0.08 0.25 0.37 -0.06 -0.54 0.00 0.00 175.26 175.20 2cqi s PHE 55 N 0.39 2.97 0.10 5.30 0.40 0.79 0.55 117.98 128.48 2cqi s PHE 55 Ca 0.01 -0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 2cqi s PHE 55 Cb -0.13 -1.91 -0.10 0.00 0.51 0.00 0.00 43.02 41.40 2cqi s PHE 55 CO 0.01 0.08 1.39 1.88 0.70 0.00 0.00 175.22 179.28 2cqi h TYR 56 N 1.09 0.90 -2.47 0.36 -1.99 -1.84 -3.42 116.97 109.60 2cqi h TYR 56 Ca -0.45 -0.30 -0.52 0.00 2.00 0.00 0.00 58.73 59.46 2cqi h TYR 56 Cb 1.26 -0.18 -0.14 0.00 2.00 0.00 0.00 36.73 39.67 2cqi h TYR 56 CO 0.49 1.08 -0.61 -1.21 -0.00 0.00 0.00 178.16 177.90 2cqi s GLU 57 N -4.21 1.74 0.20 4.88 2.02 -1.26 -5.03 118.70 117.04 2cqi s GLU 57 Ca -0.12 -1.97 0.02 0.00 0.02 0.00 0.00 54.97 52.92 2cqi s GLU 57 Cb 0.09 -1.12 0.13 0.00 0.10 0.00 0.00 34.13 33.32 2cqi s GLU 57 CO 0.85 -0.13 1.48 1.25 0.02 0.00 0.00 175.26 178.72 2cqi h HIS 58 N 2.02 0.40 -0.91 1.61 -0.00 -1.86 -3.01 115.15 113.40 2cqi h HIS 58 Ca -0.42 -0.18 0.03 0.00 -0.00 0.00 0.00 60.37 59.81 2cqi h HIS 58 Cb 1.24 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 28.54 2cqi h HIS 58 CO 0.63 0.90 0.59 0.07 -0.00 0.00 0.00 177.93 180.13 2cqi h ARG 59 N 0.21 1.14 -0.17 5.26 0.11 -1.97 0.18 114.38 119.13 2cqi h ARG 59 Ca -0.02 -0.07 -0.05 0.00 0.10 0.00 0.00 59.98 59.94 2cqi h ARG 59 Cb 1.25 -0.26 -0.00 0.00 1.11 0.00 0.00 29.97 32.07 2cqi h ARG 59 CO 0.11 0.75 -0.08 -0.44 0.10 0.00 0.00 179.97 180.42 2cqi h ASP 60 N 1.17 0.36 -0.77 0.08 3.32 -1.95 -0.86 116.42 117.77 2cqi h ASP 60 Ca 0.36 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 57.00 2cqi h ASP 60 Cb -0.04 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 2cqi h ASP 60 CO -0.11 0.69 0.51 0.00 -1.72 0.00 0.00 179.24 178.61 2cqi h ALA 61 N 0.69 0.97 -0.41 3.45 0.00 -1.34 0.14 119.26 122.75 2cqi h ALA 61 Ca 0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2cqi h ALA 61 Cb 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2cqi h ALA 61 CO 0.02 0.39 -0.21 0.00 0.00 0.00 0.00 179.25 179.46 2cqi h ALA 62 N 1.28 0.58 -0.21 0.00 0.00 -0.94 0.28 119.26 120.26 2cqi h ALA 62 Ca 0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2cqi h ALA 62 Cb -0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2cqi h ALA 62 CO -0.06 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2cqi h ALA 63 N 0.82 0.28 -0.10 0.00 0.00 -0.80 -2.41 119.26 117.06 2cqi h ALA 63 Ca 0.09 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2cqi h ALA 63 Cb 0.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2cqi h ALA 63 CO 0.06 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.69 2cqi h ALA 64 N 0.80 0.75 0.07 0.00 0.00 -0.72 -2.16 119.26 117.99 2cqi h ALA 64 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2cqi h ALA 64 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2cqi h ALA 64 CO 0.01 0.73 -0.05 1.25 0.00 0.00 0.00 179.25 181.18 2cqi h LEU 65 N 0.26 -0.14 -0.44 0.00 5.85 -0.36 0.77 115.31 121.25 2cqi h LEU 65 Ca -0.01 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2cqi h LEU 65 Cb 1.15 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2cqi h LEU 65 CO 0.10 -0.09 -0.17 0.00 -0.34 0.00 0.00 178.44 177.94 2cqi h ALA 66 N 0.80 0.62 0.00 1.25 0.00 -1.47 1.85 119.26 122.31 2cqi h ALA 66 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2cqi h ALA 66 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2cqi h ALA 66 CO -0.01 0.57 -0.28 0.00 0.00 0.00 0.00 179.25 179.53 2cqi h ALA 67 N 0.85 1.08 0.00 0.00 0.00 -1.20 -2.97 119.26 117.02 2cqi h ALA 67 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2cqi h ALA 67 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2cqi h ALA 67 CO 0.06 0.35 -1.11 -1.33 0.00 0.00 0.00 179.25 177.22 2cqi n MET 68 N -3.54 1.04 -1.64 0.00 2.81 0.27 -4.67 117.12 111.38 2cqi n MET 68 Ca -0.00 -0.05 -0.36 0.00 -1.81 0.00 0.00 57.70 55.48 2cqi n MET 68 Cb 0.43 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.56 2cqi n MET 68 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2cqi s ASN 69 N -3.06 4.57 -0.39 7.83 3.84 0.63 -1.70 114.94 126.65 2cqi s ASN 69 Ca 0.03 0.93 -0.01 0.00 0.21 0.00 0.00 52.86 54.02 2cqi s ASN 69 Cb 0.13 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.32 2cqi s ASN 69 CO 0.73 -2.82 0.08 0.61 -2.79 0.00 0.00 177.10 172.91 2cqi n GLY 70 N 5.97 0.30 3.85 1.21 0.00 0.68 -4.82 105.19 112.37 2cqi n GLY 70 Ca 0.34 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.56 3.72 -0.34 1.61 3.52 -0.69 -4.66 118.95 117.55 2cqi s ARG 71 Ca 0.04 0.88 -0.19 0.00 -0.13 0.00 0.00 55.73 56.33 2cqi s ARG 71 Cb -0.02 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.27 2cqi s ARG 71 CO 0.05 -0.47 0.57 0.15 -0.81 0.00 0.00 175.30 174.79 2cqi s LYS 72 N -4.60 3.72 -0.07 5.12 -0.14 -1.26 0.16 119.74 122.66 2cqi s LYS 72 Ca 0.57 0.01 -0.01 0.00 -1.36 0.00 0.00 55.97 55.19 2cqi s LYS 72 Cb -0.11 -3.78 0.03 0.00 -1.68 0.00 0.00 37.83 32.28 2cqi s LYS 72 CO 0.43 -0.64 -0.01 0.42 -0.76 0.00 0.00 175.35 174.78 2cqi s ILE 73 N 2.53 0.44 -1.46 2.17 1.01 -0.54 -4.81 121.20 120.53 2cqi s ILE 73 Ca 0.22 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 2cqi s ILE 73 Cb -0.15 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.78 2cqi s ILE 73 CO 0.13 0.26 0.90 0.18 0.00 0.00 0.00 174.94 176.41 2cqi n LEU 74 N 4.93 -2.90 0.00 2.97 4.77 -1.26 -0.73 117.00 124.78 2cqi n LEU 74 Ca -0.11 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2cqi n LEU 74 Cb 0.50 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 2cqi n LEU 74 CO 0.13 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2cqi n GLY 75 N -1.73 1.29 3.27 -0.72 0.00 -1.26 -4.96 105.19 101.07 2cqi n GLY 75 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.18 3.28 -0.13 1.61 2.20 0.09 -5.08 119.74 121.53 2cqi s LYS 76 Ca 0.00 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 2cqi s LYS 76 Cb 0.00 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 2cqi s LYS 76 CO 0.00 -0.15 1.41 -2.00 -0.36 0.00 0.00 175.35 174.25 2cqi s GLU 77 N 1.30 4.21 -0.06 4.03 2.12 -1.26 -1.47 118.70 127.56 2cqi s GLU 77 Ca 0.04 1.85 -0.17 0.00 0.36 0.00 0.00 54.97 57.05 2cqi s GLU 77 Cb -0.14 -3.85 -0.05 0.00 0.26 0.00 0.00 34.13 30.35 2cqi s GLU 77 CO -0.05 -0.77 0.44 0.14 -0.54 0.00 0.00 175.26 174.49 2cqi s VAL 78 N 3.72 5.11 -0.20 3.70 -7.23 0.12 -4.79 120.40 120.84 2cqi s VAL 78 Ca 0.62 0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 61.57 2cqi s VAL 78 Cb -0.26 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 32.86 2cqi s VAL 78 CO 0.20 0.44 0.20 -1.59 -0.31 0.00 0.00 175.10 174.05 2cqi s LYS 79 N -0.14 4.18 -0.03 4.82 -2.85 -0.26 -0.23 119.74 125.23 2cqi s LYS 79 Ca 0.25 -0.11 0.06 0.00 -1.00 0.00 0.00 55.97 55.17 2cqi s LYS 79 Cb -0.16 -3.46 -0.01 0.00 -2.06 0.00 0.00 37.83 32.14 2cqi s LYS 79 CO 0.11 0.20 -0.22 0.08 0.10 0.00 0.00 175.35 175.62 2cqi s VAL 80 N 0.63 1.78 0.14 1.79 1.01 -1.26 -0.44 120.40 124.05 2cqi s VAL 80 Ca 0.11 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 2cqi s VAL 80 Cb -0.12 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2cqi s VAL 80 CO 0.02 0.50 0.36 0.21 0.00 0.00 0.00 175.10 176.19 2cqi s ASN 81 N -0.33 -0.11 -0.04 3.32 2.47 -0.78 -4.64 114.94 114.83 2cqi s ASN 81 Ca 0.03 -0.54 -0.30 0.00 0.42 0.00 0.00 52.86 52.48 2cqi s ASN 81 Cb -0.10 0.46 -0.07 0.00 -1.45 0.00 0.00 41.25 40.09 2cqi s ASN 81 CO 0.01 -0.88 1.80 0.26 -3.72 0.00 0.00 177.10 174.57 2cqi s TRP 82 N -3.87 1.67 -0.73 0.43 0.52 -1.26 -0.19 118.94 115.52 2cqi s TRP 82 Ca 0.08 -0.01 -0.26 0.00 0.02 0.00 0.00 56.10 55.93 2cqi s TRP 82 Cb 0.02 -4.05 -0.01 0.00 -1.15 0.00 0.00 33.47 28.28 2cqi s TRP 82 CO -0.07 -4.45 1.76 0.00 0.02 0.00 0.00 176.95 174.21 2cqi s ALA 83 N 4.55 2.17 -0.13 0.98 0.00 -0.99 -4.78 121.76 123.56 2cqi s ALA 83 Ca 0.81 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2cqi s ALA 83 Cb -0.36 -4.37 -0.01 0.00 0.00 0.00 0.00 23.12 18.38 2cqi s ALA 83 CO 0.34 -4.01 -0.16 -0.08 0.00 0.00 0.00 175.76 171.85 2cqi s THR 84 N 8.53 2.72 0.04 0.00 -1.32 -1.26 -4.88 115.64 119.47 2cqi s THR 84 Ca 0.61 -0.78 0.06 0.00 -1.21 0.00 0.00 61.69 60.38 2cqi s THR 84 Cb -0.10 -2.12 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 2cqi s THR 84 CO 0.13 0.53 -0.17 0.42 -2.21 0.00 0.00 174.62 173.32 2cqi s THR 85 N 0.42 1.34 0.77 5.08 -4.23 -1.26 -5.01 115.64 112.75 2cqi s THR 85 Ca -0.12 -1.11 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 2cqi s THR 85 Cb -0.16 -1.20 0.06 0.00 1.34 0.00 0.00 72.50 72.53 2cqi s THR 85 CO 0.06 0.07 1.09 -2.16 -0.54 0.00 0.00 174.62 173.14 2cqi s PRO 86 N -1.20 2.26 0.06 3.99 0.04 -1.26 -4.75 135.00 134.13 2cqi s PRO 86 Ca 0.04 1.17 -0.08 0.00 0.04 0.00 0.00 61.00 62.16 2cqi s PRO 86 Cb -0.08 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 2cqi s PRO 86 CO 0.02 -1.64 0.17 0.45 0.04 0.00 0.00 177.00 176.04 2cqi s SER 87 N -3.39 0.10 0.89 6.66 0.15 -1.26 -5.14 113.70 111.71 2cqi s SER 87 Ca 0.61 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.62 2cqi s SER 87 Cb -0.17 0.30 0.12 0.00 -1.71 0.00 0.00 66.02 64.56 2cqi s SER 87 CO 0.56 -0.62 1.09 -0.94 1.20 0.00 0.00 173.24 174.53 2cqi s SER 88 N -2.45 3.58 -0.20 5.45 1.04 -1.26 -5.02 113.70 114.85 2cqi s SER 88 Ca -0.00 1.41 -0.09 0.00 0.48 0.00 0.00 55.95 57.75 2cqi s SER 88 Cb 0.02 -2.10 -0.09 0.00 0.10 0.00 0.00 66.02 63.95 2cqi s SER 88 CO -0.07 -2.56 -0.25 0.00 0.98 0.00 0.00 173.24 171.34 2cqi n GLN 89 N -3.82 0.43 -3.95 4.02 6.02 -1.26 -5.02 117.38 113.79 2cqi n GLN 89 Ca 0.07 0.18 -0.16 0.00 -0.01 0.00 0.00 57.00 57.08 2cqi n GLN 89 Cb 0.56 -1.23 -0.15 0.00 1.02 0.00 0.00 30.24 30.43 2cqi n GLN 89 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2cqi s LYS 90 N -2.37 0.26 -0.92 -1.09 -2.85 -1.26 -5.09 119.74 106.42 2cqi s LYS 90 Ca -0.28 0.02 -0.16 0.00 -1.00 0.00 0.00 55.97 54.55 2cqi s LYS 90 Cb 0.10 -0.38 0.18 0.00 -2.06 0.00 0.00 37.83 35.67 2cqi s LYS 90 CO 0.36 -0.07 1.00 0.45 0.10 0.00 0.00 175.35 177.19 2cqi s SER 91 N 0.65 6.76 0.00 0.03 0.15 -1.26 -4.65 113.70 115.38 2cqi s SER 91 Ca -0.06 -2.48 0.00 0.00 0.70 0.00 0.00 55.95 54.10 2cqi s SER 91 Cb -0.09 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2cqi s SER 91 CO -0.01 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2cqi n GLY 92 N 4.58 0.98 0.00 9.45 0.00 -1.26 -4.99 105.19 113.96 2cqi n GLY 92 Ca 0.21 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2cqi n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqi n PRO 93 N 0.00 0.49 -1.35 1.61 -0.04 -1.26 -4.84 135.00 129.61 2cqi n PRO 93 Ca 0.00 0.00 -0.59 0.00 -0.04 0.00 0.00 63.50 62.87 2cqi n PRO 93 Cb 0.00 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.92 2cqi n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqi n SER 94 N -0.94 1.09 -4.31 3.54 2.88 -1.26 -4.91 113.62 109.71 2cqi n SER 94 Ca 0.10 0.71 -0.19 0.00 -1.33 0.00 0.00 58.87 58.16 2cqi n SER 94 Cb 0.05 -0.97 -0.11 0.00 -0.75 0.00 0.00 64.21 62.44 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 5.80 2.39 0.00 -3.46 1.04 -1.26 -5.24 113.70 112.97 2cqi s SER 95 Ca 1.16 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2cqi s SER 95 Cb -1.38 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2cqi s SER 95 CO 0.65 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.34