#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s VAL 2 N 0.00 4.81 0.32 1.12 0.11 -1.26 0.23 120.40 125.73 2qan s VAL 2 Ca 0.00 1.89 0.04 0.00 -2.93 0.00 0.00 61.98 60.97 2qan s VAL 2 Cb 0.00 -4.25 -0.02 0.00 -1.53 0.00 0.00 36.38 30.58 2qan s VAL 2 CO 0.00 -0.01 0.33 0.42 -3.33 0.00 0.00 175.10 172.51 2qan s THR 3 N 2.21 0.00 -0.21 5.04 -4.23 -0.33 -2.52 115.64 115.61 2qan s THR 3 Ca 0.44 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2qan s THR 3 Cb -0.17 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.16 2qan s THR 3 CO 0.14 0.00 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.45 2qan s ILE 4 N -3.38 1.98 0.29 2.99 1.01 -1.26 -1.14 121.20 121.69 2qan s ILE 4 Ca 0.37 -1.17 0.05 0.00 0.00 0.00 0.00 60.65 59.90 2qan s ILE 4 Cb 0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2qan s ILE 4 CO 0.24 0.26 0.18 -2.11 0.00 0.00 0.00 174.94 173.52 2qan n ARG 5 N 4.58 0.46 -4.02 2.79 1.85 -1.14 -1.06 116.66 120.13 2qan n ARG 5 Ca -0.17 -2.70 -0.26 0.00 -1.00 0.00 0.00 57.85 53.72 2qan n ARG 5 Cb 0.47 1.90 -0.04 0.00 -1.05 0.00 0.00 32.46 33.73 2qan n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qan s LEU 6 N 0.00 4.08 -0.05 2.89 1.02 -1.26 -1.74 118.68 123.62 2qan s LEU 6 Ca 0.25 0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 2qan s LEU 6 Cb 0.01 -2.66 0.03 0.00 0.02 0.00 0.00 46.19 43.59 2qan s LEU 6 CO 0.18 0.05 0.06 0.00 0.02 0.00 0.00 176.35 176.65 2qan s ALA 7 N -1.79 0.27 0.21 4.21 0.00 -1.01 -4.82 121.76 118.83 2qan s ALA 7 Ca 0.33 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 52.11 2qan s ALA 7 Cb -0.10 -0.65 -0.11 0.00 0.00 0.00 0.00 23.12 22.25 2qan s ALA 7 CO 0.26 -0.53 1.64 0.50 0.00 0.00 0.00 175.76 177.63 2qan s ARG 8 N 2.15 4.16 0.00 0.00 3.52 -1.26 -1.05 118.95 126.48 2qan s ARG 8 Ca 0.05 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 2qan s ARG 8 Cb -0.12 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 2qan s ARG 8 CO -0.03 -0.67 0.59 0.72 -0.81 0.00 0.00 175.30 175.09 2qan n HIS 9 N 3.62 0.00 -2.82 5.12 8.25 -1.09 -4.92 115.22 123.38 2qan n HIS 9 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.39 2qan n HIS 9 Cb 0.37 0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.55 2qan n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qan s GLY 10 N -0.28 1.82 1.02 -1.41 0.00 -1.26 -4.74 107.32 102.47 2qan s GLY 10 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 44.72 42.87 2qan s GLY 10 CO 0.00 -1.34 1.12 0.00 0.00 0.00 0.00 173.10 172.88 2qan s ALA 11 N -2.72 1.17 0.31 3.20 0.00 0.75 -4.67 121.76 119.79 2qan s ALA 11 Ca 0.60 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 2qan s ALA 11 Cb -0.08 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 19.90 2qan s ALA 11 CO 0.39 -2.84 1.40 1.17 0.00 0.00 0.00 175.76 175.88 2qan n LYS 12 N -4.17 2.27 0.00 0.00 4.81 -1.26 -1.11 118.16 118.70 2qan n LYS 12 Ca 0.08 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 2qan n LYS 12 Cb 0.59 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2qan n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qan n LYS 13 N 1.18 0.00 -3.87 1.64 5.02 -1.26 -4.80 118.16 116.08 2qan n LYS 13 Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 2qan n LYS 13 Cb 0.35 -2.50 -0.12 0.00 -0.02 0.00 0.00 35.03 32.74 2qan n LYS 13 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qan s ARG 14 N 0.00 2.20 1.01 1.97 0.52 -0.27 -5.10 118.95 119.27 2qan s ARG 14 Ca 0.00 -3.05 -0.17 0.00 -0.52 0.00 0.00 55.73 51.99 2qan s ARG 14 Cb 0.00 -3.21 0.25 0.00 0.52 0.00 0.00 34.95 32.51 2qan s ARG 14 CO 0.00 -1.25 1.00 -0.35 0.02 0.00 0.00 175.30 174.72 2qan n PRO 15 N 2.34 -2.40 -2.69 3.54 -0.04 -1.22 -0.18 135.00 134.35 2qan n PRO 15 Ca 0.17 -1.58 -0.05 0.00 -0.04 0.00 0.00 63.50 62.00 2qan n PRO 15 Cb 0.35 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2qan n PRO 15 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2qan n PHE 16 N -4.29 -1.42 -1.85 0.54 -0.00 -1.26 -4.48 117.46 104.69 2qan n PHE 16 Ca 0.13 -0.93 -0.38 0.00 -0.00 0.00 0.00 57.45 56.27 2qan n PHE 16 Cb 0.51 1.21 0.03 0.00 -0.00 0.00 0.00 39.48 41.23 2qan n PHE 16 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 2qan s TYR 17 N 0.58 2.38 -0.16 -5.13 1.51 -1.18 -2.67 117.35 112.68 2qan s TYR 17 Ca 0.27 1.39 0.00 0.00 -1.01 0.00 0.00 57.07 57.72 2qan s TYR 17 Cb 0.16 -3.75 0.03 0.00 -0.11 0.00 0.00 41.96 38.29 2qan s TYR 17 CO -0.11 -2.70 -0.14 -1.14 -1.11 0.00 0.00 175.55 170.35 2qan s GLN 18 N -2.85 2.31 -0.09 -0.62 2.00 -0.21 -2.11 119.66 118.10 2qan s GLN 18 Ca 0.70 -0.63 -0.30 0.00 -2.00 0.00 0.00 55.36 53.13 2qan s GLN 18 Cb -0.39 -2.20 -0.03 0.00 0.80 0.00 0.00 33.01 31.19 2qan s GLN 18 CO 0.46 -0.27 1.36 0.08 -0.50 0.00 0.00 175.29 176.43 2qan s VAL 19 N 1.46 4.01 -0.12 1.34 1.01 -0.93 -2.41 120.40 124.75 2qan s VAL 19 Ca 0.04 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.17 2qan s VAL 19 Cb -0.13 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2qan s VAL 19 CO -0.10 -0.07 0.35 0.54 0.00 0.00 0.00 175.10 175.82 2qan s VAL 20 N 3.14 0.01 -0.26 2.92 0.11 -0.71 -1.46 120.40 124.15 2qan s VAL 20 Ca 0.61 -0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 59.34 2qan s VAL 20 Cb -0.27 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2qan s VAL 20 CO 0.21 -0.03 0.93 -0.69 -3.33 0.00 0.00 175.10 172.20 2qan s VAL 21 N 0.02 4.73 0.00 2.04 1.01 -0.73 -2.88 120.40 124.59 2qan s VAL 21 Ca -0.02 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2qan s VAL 21 Cb -0.03 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2qan s VAL 21 CO 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 175.10 174.92 2qan n ALA 22 N 6.26 0.00 -3.01 5.51 0.00 -0.30 0.36 120.51 129.34 2qan n ALA 22 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 2qan n ALA 22 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 2qan n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qan s ASP 23 N -0.34 5.18 0.30 0.00 -1.08 -1.26 -1.18 116.67 118.29 2qan s ASP 23 Ca 0.00 -0.15 0.03 0.00 -0.52 0.00 0.00 52.55 51.90 2qan s ASP 23 Cb 0.00 -1.92 0.76 0.00 -1.46 0.00 0.00 42.92 40.31 2qan s ASP 23 CO 0.00 0.02 1.50 -1.54 0.52 0.00 0.00 175.17 175.67 2qan n SER 24 N 4.58 -0.09 -0.20 -0.34 3.41 0.14 -0.04 113.62 121.07 2qan n SER 24 Ca -0.16 1.63 -0.00 0.00 -0.26 0.00 0.00 58.87 60.07 2qan n SER 24 Cb 0.52 -0.60 0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2qan n SER 24 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2qan h ARG 25 N 0.00 0.39 -6.86 4.33 -0.00 -1.95 -3.42 114.38 106.88 2qan h ARG 25 Ca 0.59 -0.02 -0.56 0.00 -0.50 0.00 0.00 59.98 59.49 2qan h ARG 25 Cb 1.25 -0.09 0.12 0.00 0.00 0.00 0.00 29.97 31.25 2qan h ARG 25 CO -0.89 0.26 0.57 0.09 0.00 0.00 0.00 179.97 179.99 2qan n ASN 26 N -5.00 2.89 -4.42 7.04 4.13 0.94 -4.96 115.26 115.88 2qan n ASN 26 Ca 0.08 1.15 -0.29 0.00 1.68 0.00 0.00 54.58 57.20 2qan n ASN 26 Cb 0.27 -1.53 0.24 0.00 -1.54 0.00 0.00 39.78 37.22 2qan n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qan n ALA 27 N -0.02 -3.23 -0.58 5.41 0.00 -1.26 -4.86 120.51 115.96 2qan n ALA 27 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2qan n ALA 27 Cb 0.39 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2qan n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qan n ARG 28 N -4.25 0.00 0.00 0.00 -4.01 -1.26 -2.12 116.66 105.02 2qan n ARG 28 Ca 0.02 0.43 0.00 0.00 -1.04 0.00 0.00 57.85 57.26 2qan n ARG 28 Cb 0.56 -1.21 0.00 0.00 -3.04 0.00 0.00 32.46 28.77 2qan n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2qan n ASN 29 N -1.43 0.10 -2.89 2.89 3.02 -1.26 -4.79 115.26 110.89 2qan n ASN 29 Ca 0.00 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 2qan n ASN 29 Cb 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2qan n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qan n GLY 30 N 0.34 -1.42 3.78 7.41 0.00 -0.90 -4.99 105.19 109.41 2qan n GLY 30 Ca 0.00 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 2qan n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qan s ARG 31 N 0.00 4.58 0.41 1.61 3.52 -1.26 -4.96 118.95 122.85 2qan s ARG 31 Ca 0.00 1.26 0.05 0.00 -0.13 0.00 0.00 55.73 56.92 2qan s ARG 31 Cb 0.00 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 2qan s ARG 31 CO 0.00 0.38 0.18 -0.59 -0.81 0.00 0.00 175.30 174.47 2qan s PHE 32 N -1.45 1.78 -0.22 5.12 -0.71 -1.26 -4.48 117.98 116.76 2qan s PHE 32 Ca 0.45 -1.44 -0.17 0.00 -1.04 0.00 0.00 56.93 54.73 2qan s PHE 32 Cb -0.20 -1.04 -0.14 0.00 -1.21 0.00 0.00 43.02 40.43 2qan s PHE 32 CO 0.25 -0.50 -0.05 -0.89 -1.34 0.00 0.00 175.22 172.70 2qan n ILE 33 N -0.89 1.51 -3.64 -4.49 5.41 0.16 -4.95 119.36 112.47 2qan n ILE 33 Ca -0.03 -0.08 -0.06 0.00 1.00 0.00 0.00 62.75 63.59 2qan n ILE 33 Cb 0.64 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.43 2qan n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2qan s GLU 34 N -2.43 0.65 -0.28 0.38 -1.05 -1.02 -5.02 118.70 109.92 2qan s GLU 34 Ca -0.30 1.16 -0.29 0.00 -0.15 0.00 0.00 54.97 55.40 2qan s GLU 34 Cb 0.08 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.95 2qan s GLU 34 CO 0.49 -0.14 1.54 0.50 0.95 0.00 0.00 175.26 178.60 2qan s ARG 35 N 1.72 3.72 -0.36 -4.83 3.00 -1.26 -1.77 118.95 119.17 2qan s ARG 35 Ca -0.09 1.42 0.02 0.00 -1.00 0.00 0.00 55.73 56.07 2qan s ARG 35 Cb -0.05 -4.02 0.10 0.00 0.00 0.00 0.00 34.95 30.97 2qan s ARG 35 CO -0.19 -1.37 0.09 0.54 0.00 0.00 0.00 175.30 174.36 2qan s VAL 36 N 5.28 2.61 0.21 7.11 0.11 -0.54 -4.96 120.40 130.22 2qan s VAL 36 Ca 0.67 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 2qan s VAL 36 Cb -0.21 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 2qan s VAL 36 CO 0.29 -0.58 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 2qan n GLY 37 N 4.38 -2.87 3.43 6.54 0.00 -1.25 -4.30 105.19 111.12 2qan n GLY 37 Ca 0.01 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 2qan n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qan s PHE 38 N -3.42 1.74 -0.08 1.61 -0.12 -1.23 -2.19 117.98 114.29 2qan s PHE 38 Ca 0.00 -1.35 -0.18 0.00 -0.05 0.00 0.00 56.93 55.35 2qan s PHE 38 Cb 0.00 -1.02 0.04 0.00 -0.63 0.00 0.00 43.02 41.41 2qan s PHE 38 CO 0.00 -0.43 0.44 0.12 -0.05 0.00 0.00 175.22 175.30 2qan s PHE 39 N -3.36 -0.40 -0.09 3.49 5.36 -0.89 -0.56 117.98 121.53 2qan s PHE 39 Ca 0.30 0.80 -0.02 0.00 -0.96 0.00 0.00 56.93 57.04 2qan s PHE 39 Cb 0.03 0.19 0.04 0.00 -0.34 0.00 0.00 43.02 42.94 2qan s PHE 39 CO 0.17 -0.38 0.05 1.21 -1.46 0.00 0.00 175.22 174.81 2qan s ASN 40 N -0.72 1.71 -0.11 6.13 2.47 -0.36 -3.10 114.94 120.96 2qan s ASN 40 Ca -0.08 -0.20 0.01 0.00 0.42 0.00 0.00 52.86 53.00 2qan s ASN 40 Cb -0.03 -0.30 0.14 0.00 -1.45 0.00 0.00 41.25 39.60 2qan s ASN 40 CO 0.04 -0.26 1.34 -0.81 -3.72 0.00 0.00 177.10 173.69 2qan n PRO 41 N 5.22 1.29 0.00 0.43 -0.04 -1.26 -4.41 135.00 136.23 2qan n PRO 41 Ca -0.06 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2qan n PRO 41 Cb 0.49 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2qan n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2qan n ILE 42 N 0.27 0.00 -4.94 0.52 2.08 -1.26 -5.04 119.36 110.99 2qan n ILE 42 Ca 0.13 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.44 2qan n ILE 42 Cb 0.72 -0.15 0.00 0.00 -0.75 0.00 0.00 39.64 39.46 2qan n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qan n ALA 43 N -1.27 0.00 0.00 -1.39 0.00 -1.26 -4.77 120.51 111.81 2qan n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qan n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qan n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qan n SER 44 N -2.79 0.00 -3.54 0.00 3.41 -1.26 -4.87 113.62 104.57 2qan n SER 44 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2qan n SER 44 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2qan n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qan n GLU 45 N 0.00 -5.16 0.00 4.33 0.00 -1.26 -4.77 120.64 113.78 2qan n GLU 45 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.83 2qan n GLU 45 Cb 0.00 -5.53 0.00 0.00 0.00 0.00 0.00 31.44 25.91 2qan n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2qan n LYS 46 N -4.34 0.68 0.00 5.31 2.85 -1.26 -4.74 118.16 116.65 2qan n LYS 46 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2qan n LYS 46 Cb 0.55 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 2qan n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2qan n GLU 47 N 0.32 0.00 -4.11 -1.58 4.71 -1.26 -4.83 120.64 113.89 2qan n GLU 47 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 2qan n GLU 47 Cb 0.23 -3.03 -0.11 0.00 -1.01 0.00 0.00 31.44 27.52 2qan n GLU 47 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2qan s GLU 48 N 0.00 0.66 0.00 3.49 2.56 -1.26 -5.00 118.70 119.15 2qan s GLU 48 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.97 53.98 2qan s GLU 48 Cb 0.00 -0.27 0.00 0.00 2.00 0.00 0.00 34.13 35.86 2qan s GLU 48 CO 0.00 0.03 0.00 0.41 -0.56 0.00 0.00 175.26 175.14 2qan n GLY 49 N 0.85 0.00 3.61 -1.50 0.00 -1.26 -4.79 105.19 102.11 2qan n GLY 49 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 2qan n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qan s THR 50 N 0.00 -0.98 0.48 2.61 2.01 -1.26 -1.22 115.64 117.28 2qan s THR 50 Ca 0.00 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 2qan s THR 50 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2qan s THR 50 CO 0.00 0.00 0.09 -0.13 -0.69 0.00 0.00 174.62 173.89 2qan s ARG 51 N 2.88 2.16 0.00 4.92 3.00 0.27 -4.97 118.95 127.21 2qan s ARG 51 Ca -0.05 -2.19 0.00 0.00 0.00 0.00 0.00 55.73 53.49 2qan s ARG 51 Cb -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 34.95 33.12 2qan s ARG 51 CO -0.19 -0.29 0.00 -0.11 0.00 0.00 0.00 175.30 174.71 2qan n LEU 52 N -1.27 0.00 -3.01 2.53 7.94 -1.26 -3.56 117.00 118.37 2qan n LEU 52 Ca -0.11 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.78 2qan n LEU 52 Cb 0.66 0.11 0.01 0.00 0.53 0.00 0.00 43.42 44.73 2qan n LEU 52 CO 0.42 -0.11 0.31 -0.67 -1.11 0.00 0.00 177.39 176.23 2qan n ASP 53 N -1.59 -7.46 -0.31 1.96 4.64 -1.26 -3.93 116.55 108.60 2qan n ASP 53 Ca 0.00 -0.13 0.07 0.00 -1.38 0.00 0.00 54.79 53.36 2qan n ASP 53 Cb 0.00 -5.13 0.18 0.00 -1.04 0.00 0.00 41.12 35.13 2qan n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2qan h LEU 54 N 0.30 -0.60 -0.61 -2.67 3.38 -1.98 -2.16 115.31 110.96 2qan h LEU 54 Ca -0.06 0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2qan h LEU 54 Cb 1.03 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 42.17 2qan h LEU 54 CO 0.30 -0.28 -0.53 0.44 0.09 0.00 0.00 178.44 178.46 2qan h ASP 55 N 0.03 -1.85 -0.49 -0.43 5.19 -2.00 0.35 116.42 117.22 2qan h ASP 55 Ca 0.47 0.26 0.01 0.00 -0.62 0.00 0.00 57.03 57.15 2qan h ASP 55 Cb 0.83 0.79 -0.03 0.00 0.18 0.00 0.00 39.33 41.11 2qan h ASP 55 CO -0.85 -0.31 0.32 0.03 -3.12 0.00 0.00 179.24 175.31 2qan h ARG 56 N -0.21 0.64 -0.49 3.56 2.47 -1.74 -2.58 114.38 116.03 2qan h ARG 56 Ca 0.10 -0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.87 2qan h ARG 56 Cb 0.48 -0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 28.58 2qan h ARG 56 CO -0.69 0.42 0.07 0.82 0.56 0.00 0.00 179.97 181.16 2qan h ILE 57 N 0.66 0.70 -0.05 2.04 1.08 -0.80 -2.64 117.51 118.49 2qan h ILE 57 Ca 0.18 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 2qan h ILE 57 Cb -0.07 0.48 -0.05 0.00 -3.07 0.00 0.00 36.82 34.11 2qan h ILE 57 CO -0.04 0.04 -0.26 0.00 -0.69 0.00 0.00 178.15 177.19 2qan h ALA 58 N 1.39 -0.31 -0.82 1.87 0.00 0.02 -1.89 119.26 119.53 2qan h ALA 58 Ca 0.25 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.30 2qan h ALA 58 Cb 0.34 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 2qan h ALA 58 CO -0.34 -0.75 -0.35 1.25 0.00 0.00 0.00 179.25 179.06 2qan h HIS 59 N -0.37 -0.95 0.24 0.00 -0.00 -1.20 0.88 115.15 113.74 2qan h HIS 59 Ca 0.08 0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 2qan h HIS 59 Cb 0.48 0.54 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 2qan h HIS 59 CO -0.32 -0.39 -0.11 -1.49 -0.00 0.00 0.00 177.93 175.62 2qan h TRP 60 N -0.06 -0.30 -0.75 5.26 4.06 -1.48 -2.45 115.95 120.23 2qan h TRP 60 Ca 0.31 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.41 2qan h TRP 60 Cb 0.58 0.10 -0.11 0.00 -1.00 0.00 0.00 29.16 28.74 2qan h TRP 60 CO -0.76 0.05 0.23 0.28 -3.56 0.00 0.00 178.44 174.68 2qan h VAL 61 N -0.70 0.56 0.00 1.49 2.07 -0.83 0.51 116.25 119.34 2qan h VAL 61 Ca -0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2qan h VAL 61 Cb 0.48 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qan h VAL 61 CO 0.05 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.31 2qan n GLY 62 N -1.34 -1.37 1.48 2.17 0.00 0.26 -2.65 105.19 103.73 2qan n GLY 62 Ca 0.15 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.30 2qan n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qan n GLN 63 N -2.12 3.32 0.00 1.61 6.02 0.16 -4.88 117.38 121.50 2qan n GLN 63 Ca 0.03 -2.69 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 2qan n GLN 63 Cb 0.28 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.77 2qan n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qan n GLY 64 N 1.28 0.90 3.84 1.08 0.00 -0.99 -5.03 105.19 106.27 2qan n GLY 64 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 2qan n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qan s ALA 65 N -2.00 2.86 0.00 4.61 0.00 -0.30 -4.74 121.76 122.19 2qan s ALA 65 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2qan s ALA 65 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2qan s ALA 65 CO 0.00 -0.98 0.00 2.41 0.00 0.00 0.00 175.76 177.19 2qan n THR 66 N -2.94 0.00 0.00 0.00 -1.04 -1.05 -4.52 114.28 104.73 2qan n THR 66 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2qan n THR 66 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2qan n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qan n ILE 67 N 0.00 0.00 -2.75 12.58 0.13 -1.26 -4.25 119.36 123.80 2qan n ILE 67 Ca 0.00 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.29 2qan n ILE 67 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.74 2qan n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2qan s SER 68 N 0.00 7.19 0.34 9.51 1.04 -0.22 -4.84 113.70 126.73 2qan s SER 68 Ca 0.00 1.84 0.15 0.00 0.48 0.00 0.00 55.95 58.42 2qan s SER 68 Cb 0.00 -2.57 1.13 0.00 0.10 0.00 0.00 66.02 64.67 2qan s SER 68 CO 0.00 -0.18 1.63 0.44 0.98 0.00 0.00 173.24 176.11 2qan h ASP 69 N 2.86 0.34 0.21 7.02 3.32 -1.99 0.74 116.42 128.91 2qan h ASP 69 Ca -0.47 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 2qan h ASP 69 Cb 1.19 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2qan h ASP 69 CO 0.64 -0.26 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.71 2qan h ARG 70 N 0.18 -0.27 -0.82 3.56 9.65 -1.97 -2.90 114.38 121.81 2qan h ARG 70 Ca 0.75 0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.84 2qan h ARG 70 Cb 1.80 0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 30.33 2qan h ARG 70 CO -0.69 -0.18 0.30 -0.24 2.80 0.00 0.00 179.97 181.96 2qan h VAL 71 N -0.44 0.51 -0.87 0.20 3.04 -1.78 0.23 116.25 117.15 2qan h VAL 71 Ca -0.03 -0.12 0.14 0.00 -1.01 0.00 0.00 66.70 65.67 2qan h VAL 71 Cb 0.22 0.12 -0.09 0.00 -2.01 0.00 0.00 31.29 29.53 2qan h VAL 71 CO 0.05 0.07 0.48 0.00 -1.01 0.00 0.00 177.57 177.15 2qan h ALA 72 N 1.65 1.31 -0.34 3.17 0.00 -0.95 -0.32 119.26 123.79 2qan h ALA 72 Ca 0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2qan h ALA 72 Cb 0.86 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2qan h ALA 72 CO -0.51 -0.02 0.22 0.00 0.00 0.00 0.00 179.25 178.94 2qan h ALA 73 N 1.54 0.43 -0.28 0.00 0.00 -0.34 -2.94 119.26 117.68 2qan h ALA 73 Ca 0.46 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.41 2qan h ALA 73 Cb 0.60 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2qan h ALA 73 CO -0.33 -0.10 -0.30 -0.07 0.00 0.00 0.00 179.25 178.45 2qan h LEU 74 N 0.45 -0.96 -1.34 0.00 3.38 -0.62 0.33 115.31 116.55 2qan h LEU 74 Ca 0.12 0.16 0.33 0.00 0.09 0.00 0.00 57.88 58.59 2qan h LEU 74 Cb -0.04 0.44 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 2qan h LEU 74 CO -0.03 -0.32 0.72 0.40 0.09 0.00 0.00 178.44 179.31 2qan h ILE 75 N -0.29 0.35 0.07 1.22 2.04 -1.25 -0.52 117.51 119.14 2qan h ILE 75 Ca 0.14 -0.09 -0.33 0.00 1.00 0.00 0.00 64.86 65.57 2qan h ILE 75 Cb 0.52 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2qan h ILE 75 CO -0.44 0.05 -1.86 0.29 0.00 0.00 0.00 178.15 176.19 2qan n LYS 76 N -4.69 0.70 0.28 2.37 4.76 -0.31 -3.88 118.16 117.38 2qan n LYS 76 Ca 0.30 0.28 0.18 0.00 -2.87 0.00 0.00 58.31 56.21 2qan n LYS 76 Cb 1.09 -1.75 0.95 0.00 -1.84 0.00 0.00 35.03 33.47 2qan n LYS 76 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2qan h GLU 77 N 0.04 0.00 -5.29 1.97 5.08 0.12 -3.38 114.58 113.12 2qan h GLU 77 Ca -0.36 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.38 2qan h GLU 77 Cb 2.03 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 31.11 2qan h GLU 77 CO 0.09 0.00 -0.57 0.54 -1.00 0.00 0.00 179.01 178.07 2qan s VAL 78 N -4.38 4.71 0.32 3.13 0.11 -0.78 -5.07 120.40 118.44 2qan s VAL 78 Ca -0.04 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 2qan s VAL 78 Cb 0.13 -3.11 -0.11 0.00 -1.53 0.00 0.00 36.38 31.75 2qan s VAL 78 CO 0.45 0.47 1.56 0.59 -3.33 0.00 0.00 175.10 174.83 2qan n ASN 79 N 3.51 3.81 -0.59 3.54 3.02 -1.26 -4.89 115.26 122.39 2qan n ASN 79 Ca -0.17 1.17 0.07 0.00 -0.03 0.00 0.00 54.58 55.63 2qan n ASN 79 Cb 0.52 -1.60 0.06 0.00 -0.61 0.00 0.00 39.78 38.16 2qan n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93