#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 7.15 -3.64 1.61 7.64 -1.26 -4.84 113.62 120.28 2cqi n SER -5 Ca 0.00 -3.50 -0.04 0.00 1.01 0.00 0.00 58.87 56.34 2cqi n SER -5 Cb 0.00 -1.05 -0.07 0.00 -1.01 0.00 0.00 64.21 62.09 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 -0.83 -0.68 0.00 6.43 0.15 -1.26 -5.06 113.70 112.45 2cqi s SER -4 Ca 0.52 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.26 2cqi s SER -4 Cb 0.40 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 2cqi s SER -4 CO -0.09 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2cqi n GLY -3 N 3.93 1.94 3.66 9.45 0.00 -1.26 -5.09 105.19 117.81 2cqi n GLY -3 Ca -0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 2.73 -0.12 1.61 1.04 -1.26 -4.99 113.70 108.71 2cqi s SER -2 Ca 0.00 2.13 -0.04 0.00 0.48 0.00 0.00 55.95 58.52 2cqi s SER -2 Cb 0.00 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 2cqi s SER -2 CO 0.00 -3.21 -0.13 -1.20 0.98 0.00 0.00 173.24 169.67 2cqi n SER -1 N -4.30 1.62 -4.40 7.02 7.64 -1.26 -4.83 113.62 115.11 2cqi n SER -1 Ca 0.11 0.07 -0.44 0.00 1.01 0.00 0.00 58.87 59.63 2cqi n SER -1 Cb 0.52 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 2.50 3.40 0.27 0.23 0.00 -1.26 -4.83 105.19 105.51 2cqi n GLY 0 Ca -0.22 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 43.95 2cqi n GLY 0 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2cqi h MET 1 N 7.03 0.24 -6.47 1.61 2.07 -2.02 -3.45 114.93 113.93 2cqi h MET 1 Ca 0.36 -0.01 -0.50 0.00 -2.07 0.00 0.00 59.70 57.48 2cqi h MET 1 Cb 0.84 -0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 30.46 2cqi h MET 1 CO 1.35 0.16 -0.87 -1.33 1.07 0.00 0.00 176.91 177.28 2cqi n MET 2 N -5.18 -3.53 -3.67 1.72 0.00 -1.26 -4.94 117.12 100.27 2cqi n MET 2 Ca 0.14 0.43 -0.28 0.00 0.00 0.00 0.00 57.70 57.99 2cqi n MET 2 Cb 0.47 -4.68 -0.12 0.00 0.00 0.00 0.00 33.22 28.89 2cqi n MET 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2cqi s GLU 3 N -6.53 1.48 -0.34 0.03 2.12 -1.26 -5.08 118.70 109.11 2cqi s GLU 3 Ca 0.09 -2.39 -0.28 0.00 0.36 0.00 0.00 54.97 52.76 2cqi s GLU 3 Cb -0.05 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 2cqi s GLU 3 CO 0.88 -1.26 1.89 0.34 -0.54 0.00 0.00 175.26 176.57 2cqi s ASP 4 N -0.21 5.71 -0.30 -1.70 2.15 -1.26 -4.83 116.67 116.24 2cqi s ASP 4 Ca 0.24 1.30 0.17 0.00 0.43 0.00 0.00 52.55 54.69 2cqi s ASP 4 Cb -0.11 -2.52 0.48 0.00 -0.30 0.00 0.00 42.92 40.47 2cqi s ASP 4 CO -0.10 -1.85 1.09 0.47 -0.17 0.00 0.00 175.17 174.60 2cqi n ASP 5 N 10.94 2.49 -1.43 -0.34 9.92 -1.26 -4.91 116.55 131.96 2cqi n ASP 5 Ca 0.24 -2.68 -0.01 0.00 -0.53 0.00 0.00 54.79 51.81 2cqi n ASP 5 Cb 0.47 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 2cqi n ASP 5 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cqi n GLY 6 N -0.48 2.50 2.78 0.44 0.00 -1.26 -4.57 105.19 104.60 2cqi n GLY 6 Ca 0.18 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2cqi n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cqi s GLN 7 N -0.12 1.78 0.21 1.61 -0.21 -1.26 -5.10 119.66 116.56 2cqi s GLN 7 Ca 0.02 -2.61 -0.30 0.00 0.02 0.00 0.00 55.36 52.49 2cqi s GLN 7 Cb 0.02 -2.78 -0.09 0.00 1.00 0.00 0.00 33.01 31.16 2cqi s GLN 7 CO 0.00 -1.23 1.29 -1.25 -2.12 0.00 0.00 175.29 171.99 2cqi s PRO 8 N -0.45 4.40 -0.08 2.91 0.04 -1.26 -4.88 135.00 135.68 2cqi s PRO 8 Ca 0.22 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.43 2cqi s PRO 8 Cb -0.14 -3.19 0.18 0.00 0.04 0.00 0.00 34.50 31.40 2cqi s PRO 8 CO -0.09 -0.22 1.08 0.54 0.04 0.00 0.00 177.00 178.35 2cqi n ARG 9 N 2.41 1.11 -5.26 4.56 1.74 -1.26 -4.65 116.66 115.31 2cqi n ARG 9 Ca 0.05 -2.03 -0.32 0.00 -0.77 0.00 0.00 57.85 54.78 2cqi n ARG 9 Cb 0.43 -1.18 -0.16 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.92 2.08 -0.02 0.55 2.01 -1.26 -0.45 115.64 116.62 2cqi s THR 10 Ca 0.20 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 61.19 2cqi s THR 10 Cb 0.18 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 2cqi s THR 10 CO 0.02 0.57 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.59 2cqi s LEU 11 N -0.17 2.00 -0.19 4.42 1.43 -0.70 -1.84 118.68 123.64 2cqi s LEU 11 Ca -0.03 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 2cqi s LEU 11 Cb -0.14 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 2cqi s LEU 11 CO 0.04 0.19 0.44 -0.47 0.23 0.00 0.00 176.35 176.77 2cqi s TYR 12 N -0.27 3.40 -0.19 0.29 6.14 0.77 -2.06 117.35 125.43 2cqi s TYR 12 Ca 0.04 0.69 -0.04 0.00 0.64 0.00 0.00 57.07 58.40 2cqi s TYR 12 Cb -0.08 -2.56 -0.02 0.00 0.42 0.00 0.00 41.96 39.73 2cqi s TYR 12 CO -0.00 0.00 -0.04 0.08 0.64 0.00 0.00 175.55 176.23 2cqi s VAL 13 N 1.27 3.62 0.32 3.14 1.01 -0.23 -1.60 120.40 127.92 2cqi s VAL 13 Ca 0.21 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2cqi s VAL 13 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2cqi s VAL 13 CO 0.09 0.45 0.13 -0.83 0.00 0.00 0.00 175.10 174.93 2cqi s GLY 14 N 0.91 2.12 -0.95 4.51 0.00 0.64 -1.51 107.32 113.04 2cqi s GLY 14 Ca -0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 42.97 2cqi s GLY 14 CO 0.01 -1.68 0.81 -2.01 0.00 0.00 0.00 173.10 170.23 2cqi n ASN 15 N -0.88 -3.37 -4.91 1.64 5.15 -1.23 -0.04 115.26 111.61 2cqi n ASN 15 Ca -0.01 -0.44 -0.29 0.00 -0.60 0.00 0.00 54.58 53.24 2cqi n ASN 15 Cb 0.65 -3.95 -0.04 0.00 -0.53 0.00 0.00 39.78 35.91 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 -5.47 4.23 0.84 1.20 1.43 -1.23 -3.82 118.68 115.86 2cqi s LEU 16 Ca 0.18 0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 2cqi s LEU 16 Cb -0.08 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 43.00 2cqi s LEU 16 CO 0.55 -0.01 1.10 -0.55 0.23 0.00 0.00 176.35 177.67 2cqi s SER 17 N -2.88 4.09 0.00 2.29 0.15 -1.26 -4.05 113.70 112.03 2cqi s SER 17 Ca 0.40 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2cqi s SER 17 Cb -0.11 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2cqi s SER 17 CO 0.28 -2.23 0.90 0.54 1.20 0.00 0.00 173.24 173.93 2cqi n ARG 18 N -3.60 0.99 -0.01 5.44 1.74 -1.26 -2.97 116.66 116.99 2cqi n ARG 18 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2cqi n ARG 18 Cb 0.56 -1.09 -0.03 0.00 -1.02 0.00 0.00 32.46 30.88 2cqi n ARG 18 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2cqi n ASP 19 N -0.41 4.06 -4.64 0.55 8.00 -1.26 -5.04 116.55 117.81 2cqi n ASP 19 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2cqi n ASP 19 Cb 0.05 0.93 -0.01 0.00 -0.02 0.00 0.00 41.12 42.07 2cqi n ASP 19 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2cqi n VAL 20 N -1.86 2.06 -4.39 2.53 0.31 -1.16 -5.00 118.33 110.83 2cqi n VAL 20 Ca -0.03 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.60 2cqi n VAL 20 Cb 0.33 -1.27 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 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 1.68 0.19 2.52 -4.23 -1.26 -4.99 115.64 108.45 2cqi s THR 21 Ca 0.58 -2.17 -0.11 0.00 -1.18 0.00 0.00 61.69 58.81 2cqi s THR 21 Cb -0.62 -2.27 0.11 0.00 1.34 0.00 0.00 72.50 71.06 2cqi s THR 21 CO 0.61 -0.43 1.83 -0.08 -0.54 0.00 0.00 174.62 176.01 2cqi h GLU 22 N 2.40 0.74 -0.51 3.99 4.22 -1.96 -1.64 114.58 121.83 2cqi h GLU 22 Ca -0.39 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 58.92 2cqi h GLU 22 Cb 1.23 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2cqi h GLU 22 CO 0.65 0.49 -0.03 0.28 -2.18 0.00 0.00 179.01 178.22 2cqi h VAL 23 N 0.76 1.25 0.10 0.32 2.07 -1.96 -2.34 116.25 116.44 2cqi h VAL 23 Ca 0.25 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2cqi h VAL 23 Cb 0.02 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2cqi h VAL 23 CO -0.10 0.39 -0.05 0.25 0.02 0.00 0.00 177.57 178.08 2cqi h LEU 24 N 0.80 -0.11 -0.30 2.57 6.46 -1.82 -1.13 115.31 121.79 2cqi h LEU 24 Ca 0.15 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2cqi h LEU 24 Cb 0.52 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 2cqi h LEU 24 CO 0.03 -0.02 0.13 0.40 -0.62 0.00 0.00 178.44 178.36 2cqi h ILE 25 N -0.19 0.96 -0.10 4.05 1.08 -1.26 -1.51 117.51 120.54 2cqi h ILE 25 Ca -0.01 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2cqi h ILE 25 Cb 0.16 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 2cqi h ILE 25 CO 0.02 0.05 0.07 -0.07 -0.69 0.00 0.00 178.15 177.53 2cqi h LEU 26 N 0.28 0.11 -0.13 1.44 3.38 -1.30 0.06 115.31 119.15 2cqi h LEU 26 Ca 0.13 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 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 -0.08 1.56 0.09 0.00 0.00 178.44 179.99 2cqi h GLN 27 N 0.14 0.28 -0.17 1.13 1.08 -0.22 0.28 115.11 117.63 2cqi h GLN 27 Ca 0.04 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 2cqi h GLN 27 Cb -0.01 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2cqi h GLN 27 CO -0.01 0.64 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.40 2cqi h LEU 28 N -0.08 0.33 -0.75 1.46 3.38 -0.86 -2.86 115.31 115.93 2cqi h LEU 28 Ca 0.03 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 2cqi h LEU 28 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2cqi h LEU 28 CO 0.02 0.63 -0.20 -0.26 0.09 0.00 0.00 178.44 178.72 2cqi h PHE 29 N 0.04 0.82 -0.59 1.13 -1.00 -1.05 -2.84 116.94 113.44 2cqi h PHE 29 Ca 0.04 -0.18 0.05 0.00 2.81 0.00 0.00 57.97 60.70 2cqi h PHE 29 Cb 0.48 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 2cqi h PHE 29 CO 0.05 0.87 0.39 1.03 -1.61 0.00 0.00 178.31 179.05 2cqi h SER 30 N 0.64 0.54 -0.40 2.17 0.87 -0.37 -0.58 113.55 116.42 2cqi h SER 30 Ca 0.09 -0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.77 2cqi h SER 30 Cb 0.69 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2cqi h SER 30 CO 0.05 0.36 0.29 1.56 -0.53 0.00 0.00 176.83 178.56 2cqi h GLN 31 N 0.62 0.02 0.00 2.24 4.20 -1.26 -2.87 115.11 118.05 2cqi h GLN 31 Ca 0.25 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.82 2cqi h GLN 31 Cb 0.21 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2cqi h GLN 31 CO -0.07 0.01 -0.84 0.82 -0.67 0.00 0.00 178.83 178.08 2cqi h ILE 32 N 0.02 0.82 -3.33 2.54 2.04 -1.25 -3.50 117.51 114.83 2cqi h ILE 32 Ca 0.19 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.11 2cqi h ILE 32 Cb 0.74 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 2cqi h ILE 32 CO -0.01 0.28 0.10 -0.83 0.00 0.00 0.00 178.15 177.69 2cqi s GLY 33 N -4.56 0.46 0.06 5.37 0.00 -0.78 -5.02 107.32 102.86 2cqi s GLY 33 Ca -0.23 -0.78 -0.31 0.00 0.00 0.00 0.00 44.72 43.40 2cqi s GLY 33 CO 0.50 -0.43 1.40 2.56 0.00 0.00 0.00 173.10 177.13 2cqi s PRO 34 N -3.28 4.30 -0.31 2.90 0.04 -1.26 -3.79 135.00 133.60 2cqi s PRO 34 Ca 0.18 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 2cqi s PRO 34 Cb -0.04 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2cqi s PRO 34 CO 0.11 -0.51 0.20 0.00 0.04 0.00 0.00 177.00 176.85 2cqi h LYS 36 N 8.42 0.03 -1.52 0.00 1.63 0.74 -3.47 116.57 122.39 2cqi h LYS 36 Ca -0.33 -0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.56 2cqi h LYS 36 Cb 1.17 -0.01 -0.24 0.00 -0.60 0.00 0.00 32.23 32.55 2cqi h LYS 36 CO 0.60 0.02 0.57 0.45 -3.45 0.00 0.00 179.45 177.64 2cqi s SER 37 N -5.21 -0.35 -0.06 4.20 0.15 -1.21 -5.02 113.70 106.20 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 0.07 0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 2cqi s SER 37 CO 0.67 -0.30 -0.13 0.00 1.20 0.00 0.00 173.24 174.68 2cqi s LYS 39 N 0.56 2.04 -0.32 0.00 2.20 -0.79 -4.96 119.74 118.47 2cqi s LYS 39 Ca -0.13 -0.64 -0.16 0.00 -0.36 0.00 0.00 55.97 54.68 2cqi s LYS 39 Cb -0.15 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.97 2cqi s LYS 39 CO 0.04 -0.33 0.40 1.41 -0.36 0.00 0.00 175.35 176.51 2cqi s MET 40 N 1.48 3.74 -0.21 4.03 -2.45 -1.26 -0.31 119.30 124.32 2cqi s MET 40 Ca 0.02 -0.18 -0.06 0.00 -1.25 0.00 0.00 55.69 54.21 2cqi s MET 40 Cb -0.14 -3.75 -0.03 0.00 1.25 0.00 0.00 34.83 32.16 2cqi s MET 40 CO -0.09 -0.47 0.04 0.42 1.05 0.00 0.00 175.02 175.97 2cqi s ILE 41 N 2.13 4.22 0.00 10.11 1.01 0.19 -4.93 121.20 133.93 2cqi s ILE 41 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2cqi s ILE 41 Cb -0.16 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2cqi s ILE 41 CO 0.11 0.40 0.00 0.35 0.00 0.00 0.00 174.94 175.80 2cqi n THR 42 N 4.37 0.00 -1.23 2.92 -2.24 -1.26 -2.03 114.28 114.81 2cqi n THR 42 Ca -0.17 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 2cqi n THR 42 Cb 0.52 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.79 2.23 0.01 -0.78 0.28 -1.26 -4.23 120.64 116.10 2cqi n GLU 43 Ca 0.00 -2.31 -0.02 0.00 -0.16 0.00 0.00 57.16 54.67 2cqi n GLU 43 Cb 0.00 -1.95 -0.01 0.00 1.43 0.00 0.00 31.44 30.91 2cqi n GLU 43 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2cqi n HIS 44 N 0.13 0.00 -4.11 -1.84 -0.00 -1.26 -5.11 115.22 103.03 2cqi n HIS 44 Ca 0.44 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.54 2cqi n HIS 44 Cb 0.56 -0.06 -0.10 0.00 -0.12 0.00 0.00 29.99 30.27 2cqi n HIS 44 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2cqi s THR 45 N -2.05 0.18 0.10 3.57 -4.23 -1.26 -5.06 115.64 106.90 2cqi s THR 45 Ca -0.03 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.50 2cqi s THR 45 Cb 0.01 -1.67 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 2cqi s THR 45 CO 0.03 -0.84 1.40 0.28 -0.54 0.00 0.00 174.62 174.96 2cqi h SER 46 N 3.06 0.77 -2.10 3.99 0.02 -1.99 -3.46 113.55 113.84 2cqi h SER 46 Ca -0.34 -0.49 -0.26 0.00 -0.84 0.00 0.00 61.79 59.85 2cqi h SER 46 Cb 1.16 -0.22 0.15 0.00 0.14 0.00 0.00 62.40 63.63 2cqi h SER 46 CO 0.64 1.11 -0.35 0.59 -1.14 0.00 0.00 176.83 177.68 2cqi n ASN 47 N -4.23 -3.07 -4.42 3.07 4.13 -1.26 -4.79 115.26 104.70 2cqi n ASN 47 Ca -0.04 -0.41 -0.44 0.00 1.68 0.00 0.00 54.58 55.36 2cqi n ASN 47 Cb 0.50 -0.81 -0.01 0.00 -1.54 0.00 0.00 39.78 37.92 2cqi n ASN 47 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2cqi n ASP 48 N -1.80 -1.20 -3.51 6.41 8.00 -1.26 -4.94 116.55 118.24 2cqi n ASP 48 Ca 0.06 1.00 -0.29 0.00 0.71 0.00 0.00 54.79 56.27 2cqi n ASP 48 Cb 0.40 -1.02 0.24 0.00 -0.02 0.00 0.00 41.12 40.72 2cqi n ASP 48 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2cqi n PRO 49 N 0.93 -3.08 -3.64 -0.24 -0.04 -1.26 -4.67 135.00 123.00 2cqi n PRO 49 Ca 0.13 -1.69 -0.16 0.00 -0.04 0.00 0.00 63.50 61.75 2cqi n PRO 49 Cb 0.34 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.14 2cqi n PRO 49 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2cqi s TYR 50 N -2.91 -0.44 0.05 0.54 1.13 -0.86 -3.52 117.35 111.34 2cqi s TYR 50 Ca 0.68 0.77 -0.00 0.00 -1.41 0.00 0.00 57.07 57.11 2cqi s TYR 50 Cb -0.07 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 41.01 2cqi s TYR 50 CO 0.53 -0.49 -0.04 0.00 -2.51 0.00 0.00 175.55 173.04 2cqi s PHE 52 N -3.14 3.03 -0.14 0.00 0.08 0.57 -1.07 117.98 117.30 2cqi s PHE 52 Ca 0.01 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.10 2cqi s PHE 52 Cb 0.02 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.87 2cqi s PHE 52 CO -0.06 0.44 -0.03 0.08 -0.10 0.00 0.00 175.22 175.55 2cqi s VAL 53 N -1.09 0.82 -0.13 -0.44 1.01 -0.87 -1.89 120.40 117.80 2cqi s VAL 53 Ca 0.20 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 2cqi s VAL 53 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2cqi s VAL 53 CO 0.10 0.13 0.04 -0.70 0.00 0.00 0.00 175.10 174.68 2cqi s GLU 54 N 1.76 3.50 0.29 2.72 2.12 -0.85 -1.72 118.70 126.53 2cqi s GLU 54 Ca 0.02 -0.35 0.08 0.00 0.36 0.00 0.00 54.97 55.07 2cqi s GLU 54 Cb -0.14 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 2cqi s GLU 54 CO -0.07 0.51 0.17 -0.06 -0.54 0.00 0.00 175.26 175.27 2cqi s PHE 55 N -0.31 2.91 0.08 5.30 0.08 0.40 0.13 117.98 126.57 2cqi s PHE 55 Ca 0.08 -0.22 -0.16 0.00 0.12 0.00 0.00 56.93 56.75 2cqi s PHE 55 Cb -0.12 -1.50 -0.12 0.00 -0.57 0.00 0.00 43.02 40.71 2cqi s PHE 55 CO 0.02 0.43 1.35 1.88 -0.10 0.00 0.00 175.22 178.79 2cqi h TYR 56 N 1.52 0.79 -2.01 0.36 -1.99 -1.85 -3.43 116.97 110.36 2cqi h TYR 56 Ca -0.46 -0.28 -0.58 0.00 2.00 0.00 0.00 58.73 59.41 2cqi h TYR 56 Cb 1.25 -0.15 -0.11 0.00 2.00 0.00 0.00 36.73 39.72 2cqi h TYR 56 CO 0.59 1.04 -0.63 -1.21 -0.00 0.00 0.00 178.16 177.94 2cqi s GLU 57 N -4.09 2.11 0.14 4.88 0.41 -1.26 -5.05 118.70 115.85 2cqi s GLU 57 Ca -0.12 -1.65 -0.07 0.00 -0.41 0.00 0.00 54.97 52.71 2cqi s GLU 57 Cb 0.07 -1.99 -0.06 0.00 -1.78 0.00 0.00 34.13 30.38 2cqi s GLU 57 CO 0.83 0.21 1.36 1.25 -0.49 0.00 0.00 175.26 178.42 2cqi h HIS 58 N 1.85 0.82 -0.77 1.61 -0.00 -1.88 -2.98 115.15 113.80 2cqi h HIS 58 Ca -0.43 -0.37 0.02 0.00 -0.00 0.00 0.00 60.37 59.59 2cqi h HIS 58 Cb 1.25 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 28.50 2cqi h HIS 58 CO 0.70 1.16 0.50 0.07 -0.00 0.00 0.00 177.93 180.37 2cqi h ARG 59 N 0.41 0.98 -0.25 5.26 0.11 -1.96 -1.63 114.38 117.29 2cqi h ARG 59 Ca -0.05 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 2cqi h ARG 59 Cb 1.37 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 2cqi h ARG 59 CO 0.15 0.65 0.07 -0.44 0.10 0.00 0.00 179.97 180.50 2cqi h ASP 60 N 1.01 0.36 -0.85 0.08 3.32 -1.97 -1.22 116.42 117.16 2cqi h ASP 60 Ca 0.29 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.19 2cqi h ASP 60 Cb -0.07 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 2cqi h ASP 60 CO -0.08 0.48 0.52 0.00 -1.72 0.00 0.00 179.24 178.44 2cqi h ALA 61 N 0.90 1.17 -0.40 3.45 0.00 -1.32 -0.33 119.26 122.73 2cqi h ALA 61 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2cqi h ALA 61 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cqi h ALA 61 CO -0.00 0.26 -0.15 0.00 0.00 0.00 0.00 179.25 179.36 2cqi h ALA 62 N 1.40 0.56 -0.21 0.00 0.00 -1.13 -0.68 119.26 119.21 2cqi h ALA 62 Ca 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2cqi h ALA 62 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2cqi h ALA 62 CO -0.18 0.48 0.11 0.00 0.00 0.00 0.00 179.25 179.66 2cqi h ALA 63 N 0.83 0.26 -0.20 0.00 0.00 -0.61 -2.26 119.26 117.28 2cqi h ALA 63 Ca 0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2cqi h ALA 63 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2cqi h ALA 63 CO 0.05 -0.21 -0.31 0.00 0.00 0.00 0.00 179.25 178.78 2cqi h ALA 64 N 1.00 1.10 0.07 0.00 0.00 -1.06 -1.72 119.26 118.65 2cqi h ALA 64 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2cqi h ALA 64 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2cqi h ALA 64 CO -0.01 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 181.00 2cqi h LEU 65 N 0.35 -0.15 -0.40 0.00 5.85 -0.81 0.65 115.31 120.80 2cqi h LEU 65 Ca 0.05 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2cqi h LEU 65 Cb 0.72 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2cqi h LEU 65 CO 0.06 -0.09 -0.15 0.00 -0.34 0.00 0.00 178.44 177.91 2cqi h ALA 66 N 0.79 0.56 -0.14 1.25 0.00 -1.37 1.72 119.26 122.08 2cqi h ALA 66 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2cqi h ALA 66 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2cqi h ALA 66 CO -0.01 0.48 -0.28 0.00 0.00 0.00 0.00 179.25 179.44 2cqi h ALA 67 N 0.83 1.27 -0.00 0.00 0.00 -1.14 -2.80 119.26 117.41 2cqi h ALA 67 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2cqi h ALA 67 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2cqi h ALA 67 CO 0.05 0.49 -0.90 -1.33 0.00 0.00 0.00 179.25 177.57 2cqi n MET 68 N -4.13 0.19 -1.62 0.00 2.81 0.23 -4.64 117.12 109.95 2cqi n MET 68 Ca -0.01 -0.15 -0.36 0.00 -1.81 0.00 0.00 57.70 55.37 2cqi n MET 68 Cb 0.39 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.92 4.53 -0.82 7.83 3.84 0.58 -1.89 114.94 126.09 2cqi s ASN 69 Ca 0.10 0.96 -0.02 0.00 0.21 0.00 0.00 52.86 54.10 2cqi s ASN 69 Cb 0.16 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 2cqi s ASN 69 CO 0.82 -2.84 0.28 0.61 -2.79 0.00 0.00 177.10 173.18 2cqi n GLY 70 N 5.98 0.04 3.84 1.21 0.00 0.69 -4.86 105.19 112.09 2cqi n GLY 70 Ca 0.35 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.06 4.11 -0.26 1.61 3.52 -0.79 -4.66 118.95 117.42 2cqi s ARG 71 Ca 0.14 0.81 -0.27 0.00 -0.13 0.00 0.00 55.73 56.28 2cqi s ARG 71 Cb -0.06 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 2cqi s ARG 71 CO 0.17 0.17 0.93 0.15 -0.81 0.00 0.00 175.30 175.91 2cqi s LYS 72 N -2.81 4.17 -0.10 5.12 -0.14 -1.26 -0.12 119.74 124.59 2cqi s LYS 72 Ca 0.53 1.06 -0.01 0.00 -1.36 0.00 0.00 55.97 56.20 2cqi s LYS 72 Cb -0.11 -3.67 0.03 0.00 -1.68 0.00 0.00 37.83 32.40 2cqi s LYS 72 CO 0.17 -0.63 -0.03 0.42 -0.76 0.00 0.00 175.35 174.53 2cqi s ILE 73 N 3.10 0.66 -1.90 2.17 1.01 -0.37 -4.77 121.20 121.09 2cqi s ILE 73 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2cqi s ILE 73 Cb -0.15 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2cqi s ILE 73 CO 0.09 0.25 0.00 0.18 0.00 0.00 0.00 174.94 175.45 2cqi n LEU 74 N 5.05 -1.68 0.00 2.97 4.77 -1.26 -0.83 117.00 126.02 2cqi n LEU 74 Ca -0.09 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2cqi n LEU 74 Cb 0.50 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 2cqi n LEU 74 CO 0.13 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 2cqi n GLY 75 N -0.78 1.22 3.24 -0.72 0.00 -1.26 -5.01 105.19 101.88 2cqi n GLY 75 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.45 3.21 -0.11 1.61 2.20 -0.01 -5.08 119.74 121.10 2cqi s LYS 76 Ca 0.00 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.60 2cqi s LYS 76 Cb 0.00 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2cqi s LYS 76 CO 0.00 -0.16 1.47 -2.00 -0.36 0.00 0.00 175.35 174.30 2cqi s GLU 77 N 1.27 4.20 -0.07 4.03 2.12 -1.26 -1.24 118.70 127.75 2cqi s GLU 77 Ca 0.03 1.93 -0.15 0.00 0.36 0.00 0.00 54.97 57.14 2cqi s GLU 77 Cb -0.14 -3.88 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 2cqi s GLU 77 CO -0.06 -0.78 0.39 0.14 -0.54 0.00 0.00 175.26 174.40 2cqi s VAL 78 N 3.79 5.16 -0.27 3.70 -7.23 0.83 -4.70 120.40 121.68 2cqi s VAL 78 Ca 0.64 0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 61.47 2cqi s VAL 78 Cb -0.28 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 32.91 2cqi s VAL 78 CO 0.22 0.47 0.21 -1.59 -0.31 0.00 0.00 175.10 174.10 2cqi s LYS 79 N -0.28 3.99 -0.09 4.82 -2.85 0.94 -0.22 119.74 126.04 2cqi s LYS 79 Ca 0.22 -0.26 0.03 0.00 -1.00 0.00 0.00 55.97 54.96 2cqi s LYS 79 Cb -0.15 -3.63 -0.01 0.00 -2.06 0.00 0.00 37.83 31.98 2cqi s LYS 79 CO 0.10 -0.13 -0.19 0.08 0.10 0.00 0.00 175.35 175.32 2cqi s VAL 80 N 1.61 2.60 0.10 1.79 1.01 -1.26 -0.26 120.40 126.00 2cqi s VAL 80 Ca 0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2cqi s VAL 80 Cb -0.15 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2cqi s VAL 80 CO 0.09 0.56 0.17 0.21 0.00 0.00 0.00 175.10 176.13 2cqi s ASN 81 N 0.02 0.17 -0.00 3.32 2.47 -0.63 -4.63 114.94 115.66 2cqi s ASN 81 Ca -0.07 -0.80 -0.30 0.00 0.42 0.00 0.00 52.86 52.12 2cqi s ASN 81 Cb -0.15 0.34 -0.07 0.00 -1.45 0.00 0.00 41.25 39.92 2cqi s ASN 81 CO 0.05 -0.75 1.76 0.26 -3.72 0.00 0.00 177.10 174.70 2cqi s TRP 82 N -3.91 1.81 -0.92 0.43 0.52 -1.26 -0.16 118.94 115.45 2cqi s TRP 82 Ca 0.10 -0.01 -0.24 0.00 0.02 0.00 0.00 56.10 55.96 2cqi s TRP 82 Cb 0.05 -4.04 0.05 0.00 -1.15 0.00 0.00 33.47 28.38 2cqi s TRP 82 CO -0.07 -4.46 1.36 0.00 0.02 0.00 0.00 176.95 173.80 2cqi s ALA 83 N 3.95 2.77 -0.04 0.98 0.00 -0.76 -4.77 121.76 123.89 2cqi s ALA 83 Ca 0.79 -2.01 0.06 0.00 0.00 0.00 0.00 51.96 50.80 2cqi s ALA 83 Cb -0.38 -4.40 -0.01 0.00 0.00 0.00 0.00 23.12 18.33 2cqi s ALA 83 CO 0.34 -3.46 -0.24 0.99 0.00 0.00 0.00 175.76 173.40 2cqi s THR 84 N 5.05 1.93 0.48 0.00 2.01 -1.26 -4.80 115.64 119.05 2cqi s THR 84 Ca 0.41 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 2cqi s THR 84 Cb -0.03 -1.62 -0.09 0.00 0.01 0.00 0.00 72.50 70.77 2cqi s THR 84 CO -0.02 0.54 0.96 0.42 -0.69 0.00 0.00 174.62 175.83 2cqi s THR 85 N -0.27 4.50 -0.56 -0.82 -4.23 -1.26 -4.95 115.64 108.05 2cqi s THR 85 Ca 0.01 1.27 0.22 0.00 -1.18 0.00 0.00 61.69 62.01 2cqi s THR 85 Cb -0.12 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 70.27 2cqi s THR 85 CO 0.02 -0.56 1.67 -0.81 -0.54 0.00 0.00 174.62 174.40 2cqi n PRO 86 N -1.25 0.16 -2.91 3.99 -0.04 -1.26 -4.58 135.00 129.12 2cqi n PRO 86 Ca 0.06 0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 63.51 2cqi n PRO 86 Cb 0.54 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 2cqi n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqi s SER 87 N -4.05 6.91 -0.40 3.54 0.15 -1.26 -3.81 113.70 114.79 2cqi s SER 87 Ca 0.04 1.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.80 2cqi s SER 87 Cb 0.09 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2cqi s SER 87 CO 0.37 -0.41 0.34 -0.24 1.20 0.00 0.00 173.24 174.50 2cqi n SER 88 N 5.34 -2.89 -3.85 5.45 2.88 -1.26 -5.05 113.62 114.24 2cqi n SER 88 Ca 0.04 -0.17 -0.30 0.00 -1.33 0.00 0.00 58.87 57.11 2cqi n SER 88 Cb 0.49 -1.89 0.22 0.00 -0.75 0.00 0.00 64.21 62.28 2cqi n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cqi s GLN 89 N -5.07 -0.26 -0.15 -1.46 1.03 -1.25 -5.07 119.66 107.43 2cqi s GLN 89 Ca 0.12 -0.42 -0.07 0.00 0.04 0.00 0.00 55.36 55.02 2cqi s GLN 89 Cb -0.05 -1.74 0.06 0.00 0.03 0.00 0.00 33.01 31.31 2cqi s GLN 89 CO 0.22 -3.02 0.35 -1.59 -2.54 0.00 0.00 175.29 168.71 2cqi s LYS 90 N -5.82 0.30 0.04 9.60 -2.85 -1.26 -5.05 119.74 114.70 2cqi s LYS 90 Ca 0.75 0.74 0.00 0.00 -1.00 0.00 0.00 55.97 56.46 2cqi s LYS 90 Cb -0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.72 2cqi s LYS 90 CO 0.54 -0.19 0.00 0.45 0.10 0.00 0.00 175.35 176.26 2cqi n SER 91 N 4.53 0.37 0.00 0.03 2.88 -1.26 -5.12 113.62 115.05 2cqi n SER 91 Ca -0.20 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2cqi n SER 91 Cb 0.53 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2cqi n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqi n GLY 92 N 3.09 1.05 0.18 0.46 0.00 -1.26 -5.02 105.19 103.69 2cqi n GLY 92 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.43 2cqi n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqi h PRO 93 N 0.00 0.00 -5.74 1.61 0.13 -2.04 -3.43 132.00 122.53 2cqi h PRO 93 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 2cqi h PRO 93 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 2cqi h PRO 93 CO 0.00 0.41 -0.78 0.45 -0.23 0.00 0.00 178.00 177.85 2cqi s SER 94 N -6.70 3.94 -0.07 1.44 0.15 -1.26 -5.12 113.70 106.08 2cqi s SER 94 Ca -0.02 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 2cqi s SER 94 Cb 0.13 -1.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 2cqi s SER 94 CO 0.71 0.24 0.01 -0.94 1.20 0.00 0.00 173.24 174.46 2cqi s SER 95 N -0.09 5.25 0.00 5.45 1.04 -1.26 -5.20 113.70 118.89 2cqi s SER 95 Ca -0.02 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2cqi s SER 95 Cb -0.14 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2cqi s SER 95 CO 0.04 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.22