#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqi s SER 2 N 0.00 5.31 -0.23 1.61 0.01 -1.26 -5.14 113.70 114.00 2yqi s SER 2 Ca 0.00 -0.65 -0.13 0.00 1.31 0.00 0.00 55.95 56.48 2yqi s SER 2 Cb 0.00 -0.40 0.07 0.00 0.21 0.00 0.00 66.02 65.90 2yqi s SER 2 CO 0.00 -0.85 0.57 -0.55 0.41 0.00 0.00 173.24 172.83 2yqi s SER 3 N -4.33 -0.76 0.00 2.44 0.15 -1.26 -5.09 113.70 104.85 2yqi s SER 3 Ca 0.53 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.43 2yqi s SER 3 Cb -0.07 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 2yqi s SER 3 CO 0.32 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2yqi n GLY 4 N 4.24 -1.65 3.46 9.45 0.00 -1.26 -4.65 105.19 114.77 2yqi n GLY 4 Ca -0.21 -0.65 -0.51 0.00 0.00 0.00 0.00 46.02 44.65 2yqi n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yqi n SER 5 N 0.00 -0.52 -4.17 1.61 7.64 -1.26 -0.88 113.62 116.05 2yqi n SER 5 Ca 0.00 1.14 -0.35 0.00 1.01 0.00 0.00 58.87 60.68 2yqi n SER 5 Cb 0.00 -0.98 -0.06 0.00 -1.01 0.00 0.00 64.21 62.16 2yqi n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yqi n SER 6 N 1.82 -0.72 0.00 6.43 2.88 -1.26 -4.89 113.62 117.88 2yqi n SER 6 Ca 0.18 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.50 2yqi n SER 6 Cb 0.20 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 2yqi n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqi n GLY 7 N -2.34 0.17 4.16 0.46 0.00 -0.06 -4.92 105.19 102.66 2yqi n GLY 7 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2yqi n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yqi n ASN 8 N -1.56 0.13 -3.84 1.61 3.02 -1.26 -4.88 115.26 108.48 2yqi n ASN 8 Ca 0.00 -1.14 -0.09 0.00 -0.03 0.00 0.00 54.58 53.32 2yqi n ASN 8 Cb 0.00 -1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 37.69 2yqi n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yqi s ALA 9 N -3.88 -0.56 0.34 5.41 0.00 -1.26 -5.15 121.76 116.65 2yqi s ALA 9 Ca 0.22 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 2yqi s ALA 9 Cb -0.13 0.87 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 2yqi s ALA 9 CO 0.90 -0.76 1.22 -1.25 0.00 0.00 0.00 175.76 175.87 2yqi s PRO 10 N -3.92 4.35 0.25 0.00 0.04 -1.26 -5.05 135.00 129.42 2yqi s PRO 10 Ca 0.13 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.26 2yqi s PRO 10 Cb 0.00 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 2yqi s PRO 10 CO -0.01 -0.12 0.12 0.15 0.04 0.00 0.00 177.00 177.19 2yqi s LYS 11 N -1.83 2.69 0.25 4.56 1.02 -1.26 -4.98 119.74 120.20 2yqi s LYS 11 Ca 0.50 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.01 2yqi s LYS 11 Cb -0.35 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.40 2yqi s LYS 11 CO 0.46 0.39 1.41 -2.13 -0.92 0.00 0.00 175.35 174.57 2yqi n ARG 12 N -1.01 2.09 -2.26 1.68 0.00 -1.26 -4.94 116.66 110.96 2yqi n ARG 12 Ca -0.07 0.74 -0.36 0.00 -0.00 0.00 0.00 57.85 58.16 2yqi n ARG 12 Cb 0.58 -2.40 -0.01 0.00 0.00 0.00 0.00 32.46 30.63 2yqi n ARG 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yqi s PRO 13 N -0.56 3.60 0.29 -0.14 0.04 -1.26 -5.00 135.00 131.97 2yqi s PRO 13 Ca 0.67 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 2yqi s PRO 13 Cb -0.63 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 2yqi s PRO 13 CO 0.51 -0.67 1.25 -1.25 0.04 0.00 0.00 177.00 176.88 2yqi s PRO 14 N -2.92 4.45 0.50 0.56 0.04 -1.26 -5.02 135.00 131.35 2yqi s PRO 14 Ca 0.67 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.73 2yqi s PRO 14 Cb -0.27 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 2yqi s PRO 14 CO 0.32 -0.09 0.78 0.45 0.04 0.00 0.00 177.00 178.51 2yqi s SER 15 N -0.41 5.92 0.48 6.66 0.15 -1.26 -4.75 113.70 120.49 2yqi s SER 15 Ca 0.49 0.67 0.25 0.00 0.70 0.00 0.00 55.95 58.06 2yqi s SER 15 Cb -0.37 -1.87 1.29 0.00 -1.71 0.00 0.00 66.02 63.36 2yqi s SER 15 CO 0.46 -0.76 1.86 1.23 1.20 0.00 0.00 173.24 177.23 2yqi h GLY 16 N 0.16 0.48 2.00 9.45 0.00 -1.87 0.52 103.07 113.82 2yqi h GLY 16 Ca -0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 2yqi h GLY 16 CO 0.60 -0.02 -0.16 -2.75 0.00 0.00 0.00 176.54 174.21 2yqi h PHE 17 N 0.20 0.00 0.05 5.60 3.57 -1.93 -2.74 116.94 121.69 2yqi h PHE 17 Ca 0.47 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.72 2yqi h PHE 17 Cb 1.51 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 2yqi h PHE 17 CO -0.00 0.16 -1.34 0.35 -2.23 0.00 0.00 178.31 175.25 2yqi h PHE 18 N 0.00 0.17 -1.01 0.41 3.04 -0.36 -3.10 116.94 116.10 2yqi h PHE 18 Ca -0.00 -0.13 0.23 0.00 3.98 0.00 0.00 57.97 62.05 2yqi h PHE 18 Cb 0.39 -0.01 -0.10 0.00 2.56 0.00 0.00 35.95 38.79 2yqi h PHE 18 CO 0.00 1.52 0.63 -0.07 -2.02 0.00 0.00 178.31 178.37 2yqi h LEU 19 N -0.67 0.61 0.10 0.59 4.07 -1.19 0.22 115.31 119.04 2yqi h LEU 19 Ca -0.33 0.10 -0.29 0.00 0.08 0.00 0.00 57.88 57.44 2yqi h LEU 19 Cb 1.51 -0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.27 2yqi h LEU 19 CO -0.09 0.15 -1.24 0.15 -1.08 0.00 0.00 178.44 176.33 2yqi h PHE 20 N 0.56 0.88 -0.69 1.13 3.04 -1.64 -2.86 116.94 117.36 2yqi h PHE 20 Ca 0.59 -0.57 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2yqi h PHE 20 Cb 1.22 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.64 2yqi h PHE 20 CO -0.00 1.42 0.30 0.00 -2.02 0.00 0.00 178.31 178.00 2yqi h SER 22 N 0.98 0.00 0.69 0.00 0.87 -0.74 -0.30 113.55 115.05 2yqi h SER 22 Ca 0.24 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.53 2yqi h SER 22 Cb 0.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 2yqi h SER 22 CO -0.02 0.18 -1.41 -0.08 -0.53 0.00 0.00 176.83 174.96 2yqi h GLU 23 N 0.00 0.02 0.00 2.24 4.57 -1.11 -3.33 114.58 116.98 2yqi h GLU 23 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2yqi h GLU 23 Cb 0.96 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2yqi h GLU 23 CO 0.02 0.75 -0.85 1.19 -1.18 0.00 0.00 179.01 178.94 2yqi n PHE 24 N -3.20 0.17 -0.19 0.92 3.01 0.32 -4.22 117.46 114.27 2yqi n PHE 24 Ca -0.10 0.05 -0.03 0.00 1.01 0.00 0.00 57.45 58.38 2yqi n PHE 24 Cb 1.01 -0.33 0.08 0.00 -0.01 0.00 0.00 39.48 40.22 2yqi n PHE 24 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2yqi h ARG 25 N 0.00 0.51 -0.69 -1.08 2.43 -1.15 -2.54 114.38 111.86 2yqi h ARG 25 Ca 0.00 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 2yqi h ARG 25 Cb 0.63 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.95 2yqi h ARG 25 CO 0.00 0.34 0.01 -1.35 -1.51 0.00 0.00 179.97 177.46 2yqi h PRO 26 N 0.52 0.12 0.04 0.20 0.11 -1.76 0.16 132.00 131.38 2yqi h PRO 26 Ca 0.26 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 2yqi h PRO 26 Cb 0.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2yqi h PRO 26 CO -0.20 0.08 -0.02 0.87 -0.21 0.00 0.00 178.00 178.52 2yqi h LYS 27 N 0.12 -0.05 -0.65 1.05 1.57 -1.73 -0.85 116.57 116.03 2yqi h LYS 27 Ca 0.37 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.23 2yqi h LYS 27 Cb 0.62 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 2yqi h LYS 27 CO -0.59 0.14 0.33 0.82 -0.57 0.00 0.00 179.45 179.58 2yqi h ILE 28 N -0.23 0.90 0.00 1.86 2.04 -1.01 0.45 117.51 121.53 2yqi h ILE 28 Ca -0.01 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2yqi h ILE 28 Cb 0.21 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2yqi h ILE 28 CO 0.01 0.11 0.00 0.11 0.00 0.00 0.00 178.15 178.38 2yqi h LYS 29 N 0.60 0.00 0.00 2.37 1.57 -0.61 0.16 116.57 120.66 2yqi h LYS 29 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2yqi h LYS 29 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2yqi h LYS 29 CO -0.22 0.00 -1.02 0.45 -0.57 0.00 0.00 179.45 178.09 2yqi n SER 30 N -2.78 0.73 -0.13 0.86 2.88 0.20 -4.40 113.62 110.98 2yqi n SER 30 Ca 0.02 -0.60 -0.21 0.00 -1.33 0.00 0.00 58.87 56.74 2yqi n SER 30 Cb 0.30 0.92 -0.11 0.00 -0.75 0.00 0.00 64.21 64.57 2yqi n SER 30 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2yqi n THR 31 N -1.68 1.48 -3.26 2.46 -2.24 0.14 -4.94 114.28 106.24 2yqi n THR 31 Ca 0.03 -0.51 -0.38 0.00 -2.27 0.00 0.00 64.05 60.92 2yqi n THR 31 Cb 0.38 -1.55 -0.06 0.00 -2.10 0.00 0.00 70.33 67.00 2yqi n THR 31 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2yqi s ASN 32 N -6.79 6.84 -0.17 3.42 0.01 0.00 -5.03 114.94 113.23 2yqi s ASN 32 Ca -0.36 1.01 -0.29 0.00 -0.71 0.00 0.00 52.86 52.51 2yqi s ASN 32 Cb 0.11 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 2yqi s ASN 32 CO 0.56 0.06 1.58 -2.16 -1.51 0.00 0.00 177.10 175.62 2yqi s PRO 33 N 0.16 3.95 -1.50 -0.60 0.04 -1.26 -3.61 135.00 132.18 2yqi s PRO 33 Ca 0.29 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 2yqi s PRO 33 Cb -0.17 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2yqi s PRO 33 CO 0.14 -1.11 0.14 0.41 0.04 0.00 0.00 177.00 176.62 2yqi n GLY 34 N 4.39 -0.18 3.73 0.56 0.00 -1.26 -4.87 105.19 107.56 2yqi n GLY 34 Ca 0.18 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 2yqi n GLY 34 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yqi s ILE 35 N -4.24 2.38 0.07 -0.61 2.07 -1.24 -5.02 121.20 114.61 2yqi s ILE 35 Ca 0.02 0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 59.44 2yqi s ILE 35 Cb -0.01 -2.77 -0.04 0.00 0.13 0.00 0.00 42.46 39.77 2yqi s ILE 35 CO 0.97 -0.10 0.23 -0.55 -1.91 0.00 0.00 174.94 173.58 2yqi s SER 36 N -2.04 6.37 0.27 4.50 0.15 -1.26 -4.98 113.70 116.71 2yqi s SER 36 Ca 0.74 0.31 -0.00 0.00 0.70 0.00 0.00 55.95 57.69 2yqi s SER 36 Cb -0.29 -1.98 0.61 0.00 -1.71 0.00 0.00 66.02 62.66 2yqi s SER 36 CO 0.44 0.16 1.67 0.40 1.20 0.00 0.00 173.24 177.11 2yqi h ILE 37 N 2.10 0.41 -0.55 6.45 2.04 -2.00 0.33 117.51 126.30 2yqi h ILE 37 Ca -0.45 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.34 2yqi h ILE 37 Cb 1.16 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2yqi h ILE 37 CO 0.75 0.05 0.36 1.23 0.00 0.00 0.00 178.15 180.55 2yqi h GLY 38 N 0.26 0.74 0.50 5.37 0.00 -2.00 -2.27 103.07 105.68 2yqi h GLY 38 Ca 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2yqi h GLY 38 CO -0.58 0.24 -0.24 -0.55 0.00 0.00 0.00 176.54 175.41 2yqi h ASP 39 N 0.68 -0.57 -0.93 0.19 5.19 -0.74 -2.85 116.42 117.39 2yqi h ASP 39 Ca 0.21 0.02 0.26 0.00 -0.62 0.00 0.00 57.03 56.90 2yqi h ASP 39 Cb 0.02 0.15 -0.14 0.00 0.18 0.00 0.00 39.33 39.53 2yqi h ASP 39 CO -0.05 -0.29 0.41 0.58 -3.12 0.00 0.00 179.24 176.76 2yqi h VAL 40 N -0.90 0.36 -0.35 -1.35 2.07 -1.37 0.16 116.25 114.87 2yqi h VAL 40 Ca -0.07 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2yqi h VAL 40 Cb 0.52 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2yqi h VAL 40 CO 0.11 0.06 0.08 0.00 0.02 0.00 0.00 177.57 177.84 2yqi h ALA 41 N 1.79 0.38 0.20 1.67 0.00 -1.40 0.12 119.26 122.01 2yqi h ALA 41 Ca 0.62 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.60 2yqi h ALA 41 Cb 1.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2yqi h ALA 41 CO -0.60 -0.33 -0.17 -0.22 0.00 0.00 0.00 179.25 177.94 2yqi h LYS 42 N 0.20 -0.37 0.08 0.00 3.64 -0.45 -1.87 116.57 117.80 2yqi h LYS 42 Ca 0.17 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2yqi h LYS 42 Cb 0.18 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2yqi h LYS 42 CO -0.21 -0.25 -0.17 0.87 -2.27 0.00 0.00 179.45 177.42 2yqi h LYS 43 N -0.39 -0.31 -0.19 1.90 1.57 -1.12 -2.99 116.57 115.05 2yqi h LYS 43 Ca -0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2yqi h LYS 43 Cb 0.35 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2yqi h LYS 43 CO -0.02 -0.21 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.14 2yqi h LEU 44 N -0.32 -1.44 -0.96 2.94 3.38 -0.64 -0.70 115.31 117.55 2yqi h LEU 44 Ca 0.03 0.18 0.26 0.00 0.09 0.00 0.00 57.88 58.44 2yqi h LEU 44 Cb 0.35 0.57 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 2yqi h LEU 44 CO -0.11 -0.37 0.00 0.61 0.09 0.00 0.00 178.44 178.67 2yqi n GLY 45 N -1.33 -1.33 0.20 0.83 0.00 -0.71 -0.44 105.19 102.40 2yqi n GLY 45 Ca -0.04 0.95 -0.14 0.00 0.00 0.00 0.00 46.02 46.79 2yqi n GLY 45 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yqi h GLU 46 N 0.00 -0.41 -0.87 1.61 4.39 -1.07 -2.48 114.58 115.74 2yqi h GLU 46 Ca 0.58 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.49 2yqi h GLU 46 Cb 1.17 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.80 2yqi h GLU 46 CO -0.91 -0.13 0.41 0.52 -1.16 0.00 0.00 179.01 177.73 2yqi h MET 47 N -0.67 0.48 0.96 2.33 2.86 0.64 -0.53 114.93 120.99 2yqi h MET 47 Ca -0.04 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2yqi h MET 47 Cb 0.47 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.03 2yqi h MET 47 CO 0.07 0.32 -0.46 2.35 1.06 0.00 0.00 176.91 180.24 2yqi h TRP 48 N 0.49 -1.20 -0.87 -0.22 2.91 -0.81 -2.52 115.95 113.73 2yqi h TRP 48 Ca 0.52 -0.03 0.21 0.00 1.13 0.00 0.00 58.89 60.72 2yqi h TRP 48 Cb 0.89 0.40 -0.06 0.00 -0.51 0.00 0.00 29.16 29.88 2yqi h TRP 48 CO -0.12 -0.75 0.59 -0.97 -1.03 0.00 0.00 178.44 176.16 2yqi h ASN 49 N -1.29 0.29 -0.84 2.65 -0.00 -0.92 0.10 115.58 115.57 2yqi h ASN 49 Ca -0.13 0.03 -0.03 0.00 -0.00 0.00 0.00 56.30 56.17 2yqi h ASN 49 Cb 0.99 -0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 39.25 2yqi h ASN 49 CO 0.22 0.11 0.41 0.78 -0.00 0.00 0.00 177.43 178.95 2yqi h ASN 50 N 0.28 1.09 -3.43 1.15 2.35 -0.73 -3.44 115.58 112.86 2yqi h ASN 50 Ca 0.44 -0.13 -0.57 0.00 -0.55 0.00 0.00 56.30 55.49 2yqi h ASN 50 Cb 1.27 -0.28 0.16 0.00 0.05 0.00 0.00 38.32 39.52 2yqi h ASN 50 CO -0.13 0.91 0.03 0.18 -1.65 0.00 0.00 177.43 176.78 2yqi n LEU 51 N -4.33 3.10 -4.97 1.61 4.77 0.35 -5.00 117.00 112.53 2yqi n LEU 51 Ca 0.08 0.81 -0.23 0.00 -0.03 0.00 0.00 56.01 56.64 2yqi n LEU 51 Cb 0.13 -1.35 0.07 0.00 -2.33 0.00 0.00 43.42 39.94 2yqi n LEU 51 CO 0.40 -2.05 0.47 0.20 -1.33 0.00 0.00 177.39 175.08 2yqi s ASN 52 N -1.20 4.84 0.50 -1.43 0.01 -1.26 -4.92 114.94 111.47 2yqi s ASN 52 Ca 0.74 -0.08 0.20 0.00 -0.71 0.00 0.00 52.86 53.01 2yqi s ASN 52 Cb -0.43 -0.57 1.27 0.00 0.41 0.00 0.00 41.25 41.93 2yqi s ASN 52 CO 0.49 -1.49 2.07 0.44 -1.51 0.00 0.00 177.10 177.09 2yqi h ASP 53 N -0.27 0.00 1.32 -1.22 5.19 -1.97 -1.00 116.42 118.47 2yqi h ASP 53 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2yqi h ASP 53 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2yqi h ASP 53 CO 0.49 0.12 -0.36 -1.28 -3.12 0.00 0.00 179.24 175.09 2yqi h SER 54 N 0.00 0.00 0.51 6.45 0.87 -2.00 -2.92 113.55 116.45 2yqi h SER 54 Ca -0.00 -0.07 -0.29 0.00 -1.23 0.00 0.00 61.79 60.20 2yqi h SER 54 Cb 0.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2yqi h SER 54 CO 0.02 0.03 -1.53 -0.33 -0.53 0.00 0.00 176.83 174.49 2yqi h GLU 55 N 0.00 0.17 0.00 2.24 4.39 -1.57 -3.33 114.58 116.48 2yqi h GLU 55 Ca 0.00 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 2yqi h GLU 55 Cb 0.84 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2yqi h GLU 55 CO 0.00 0.98 -0.34 0.87 -1.16 0.00 0.00 179.01 179.36 2yqi h LYS 56 N 0.05 0.00 -0.79 2.33 1.57 -1.45 -3.37 116.57 114.90 2yqi h LYS 56 Ca -0.23 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2yqi h LYS 56 Cb 1.98 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 34.18 2yqi h LYS 56 CO 0.14 0.05 -0.53 1.96 -0.57 0.00 0.00 179.45 180.49 2yqi h GLN 57 N 0.00 -0.12 0.00 3.15 1.08 -1.62 1.16 115.11 118.76 2yqi h GLN 57 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2yqi h GLN 57 Cb 1.04 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2yqi h GLN 57 CO 0.01 -0.08 0.00 -0.35 -0.95 0.00 0.00 178.83 177.45 2yqi n PRO 58 N -5.34 0.04 -0.00 1.46 -0.04 -1.26 -1.39 135.00 128.47 2yqi n PRO 58 Ca 0.02 0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 2yqi n PRO 58 Cb 0.31 -1.58 -0.12 0.00 -0.04 0.00 0.00 33.50 32.08 2yqi n PRO 58 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2yqi n TYR 59 N -1.66 0.46 -0.05 0.54 4.01 0.33 -3.97 117.16 116.81 2yqi n TYR 59 Ca 0.03 0.15 -0.22 0.00 -0.16 0.00 0.00 57.90 57.70 2yqi n TYR 59 Cb 0.18 -0.87 -0.13 0.00 -0.31 0.00 0.00 39.34 38.21 2yqi n TYR 59 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2yqi n ILE 60 N -2.64 1.66 -0.07 -0.72 5.41 0.27 -3.69 119.36 119.57 2yqi n ILE 60 Ca -0.12 -0.38 0.11 0.00 1.00 0.00 0.00 62.75 63.37 2yqi n ILE 60 Cb 0.79 -1.86 0.50 0.00 -0.71 0.00 0.00 39.64 38.36 2yqi n ILE 60 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2yqi h THR 61 N -0.44 0.91 -0.41 1.39 2.02 -1.45 -1.06 112.91 113.88 2yqi h THR 61 Ca -0.42 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.47 2yqi h THR 61 Cb 1.70 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2yqi h THR 61 CO -0.07 0.08 -0.33 0.50 0.37 0.00 0.00 175.52 176.07 2yqi h LYS 62 N 0.41 0.92 0.00 6.66 3.11 -1.73 -2.71 116.57 123.24 2yqi h LYS 62 Ca 0.27 -0.45 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 2yqi h LYS 62 Cb 0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2yqi h LYS 62 CO -0.07 1.11 0.00 0.00 -2.81 0.00 0.00 179.45 177.68 2yqi h ALA 63 N 0.85 1.00 -0.17 5.00 0.00 -1.31 -3.06 119.26 121.56 2yqi h ALA 63 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2yqi h ALA 63 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2yqi h ALA 63 CO 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.29 2yqi h ALA 64 N 2.12 0.24 -0.69 0.00 0.00 -1.07 -2.71 119.26 117.15 2yqi h ALA 64 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2yqi h ALA 64 Cb 0.42 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2yqi h ALA 64 CO 0.00 -0.00 0.45 0.87 0.00 0.00 0.00 179.25 180.57 2yqi h LYS 65 N 0.04 0.67 -0.39 0.00 6.56 -1.59 -1.76 116.57 120.10 2yqi h LYS 65 Ca 0.04 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 2yqi h LYS 65 Cb 0.47 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2yqi h LYS 65 CO 0.02 0.44 0.01 -0.07 -2.06 0.00 0.00 179.45 177.79 2yqi h LEU 66 N 0.69 0.66 -0.87 2.94 -0.00 -1.61 -2.98 115.31 114.14 2yqi h LEU 66 Ca 0.30 -0.30 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2yqi h LEU 66 Cb 0.29 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 2yqi h LEU 66 CO -0.10 0.80 0.51 0.50 -0.00 0.00 0.00 178.44 180.15 2yqi h LYS 67 N 0.51 1.19 -0.89 1.13 3.64 -1.02 -1.56 116.57 119.57 2yqi h LYS 67 Ca 0.11 -0.12 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2yqi h LYS 67 Cb 0.45 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 2yqi h LYS 67 CO 0.02 0.85 0.52 0.93 -2.27 0.00 0.00 179.45 179.49 2yqi h GLU 68 N 1.20 0.79 -0.03 1.90 4.39 -1.23 -0.71 114.58 120.89 2yqi h GLU 68 Ca 0.31 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.78 2yqi h GLU 68 Cb -0.03 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2yqi h GLU 68 CO -0.06 0.53 -0.79 0.87 -1.16 0.00 0.00 179.01 178.40 2yqi h LYS 69 N 0.82 0.27 0.50 2.33 1.57 -1.35 -3.13 116.57 117.57 2yqi h LYS 69 Ca 0.45 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2yqi h LYS 69 Cb 0.48 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2yqi h LYS 69 CO -0.28 0.93 -0.25 -0.92 -0.57 0.00 0.00 179.45 178.36 2yqi h TYR 70 N 0.17 -0.66 -0.89 -1.35 3.20 -0.18 -2.60 116.97 114.67 2yqi h TYR 70 Ca -0.04 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.94 2yqi h TYR 70 Cb 1.38 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.80 2yqi h TYR 70 CO 0.03 -0.40 0.58 0.93 -1.64 0.00 0.00 178.16 177.66 2yqi h GLU 71 N -0.69 0.78 0.00 1.82 5.08 -1.37 0.29 114.58 120.49 2yqi h GLU 71 Ca -0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2yqi h GLU 71 Cb 0.54 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2yqi h GLU 71 CO 0.10 0.51 0.00 0.87 -1.00 0.00 0.00 179.01 179.49 2yqi h LYS 72 N 0.80 0.00 0.00 2.33 1.79 -1.41 -2.09 116.57 117.99 2yqi h LYS 72 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2yqi h LYS 72 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2yqi h LYS 72 CO -0.20 0.00 -0.29 -3.47 -1.08 0.00 0.00 179.45 174.42 2yqi n ASP 73 N -3.05 0.76 -0.48 0.86 -0.08 0.90 -3.02 116.55 112.44 2yqi n ASP 73 Ca -0.02 0.30 0.40 0.00 -1.51 0.00 0.00 54.79 53.96 2yqi n ASP 73 Cb 0.14 -0.63 0.71 0.00 2.34 0.00 0.00 41.12 43.68 2yqi n ASP 73 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2yqi h VAL 74 N -0.41 0.19 0.00 5.18 -1.51 -1.25 0.48 116.25 118.93 2yqi h VAL 74 Ca 0.00 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2yqi h VAL 74 Cb 0.29 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.55 2yqi h VAL 74 CO 0.00 0.01 -0.06 0.00 -1.23 0.00 0.00 177.57 176.29 2yqi h ALA 75 N 1.40 0.01 0.00 5.19 0.00 -1.58 -3.29 119.26 120.99 2yqi h ALA 75 Ca 0.78 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2yqi h ALA 75 Cb 2.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.58 2yqi h ALA 75 CO -0.21 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 2yqi n ASP 76 N -4.69 0.10 -0.00 0.00 9.92 -0.09 -2.31 116.55 119.47 2yqi n ASP 76 Ca -0.06 0.54 -0.10 0.00 -0.53 0.00 0.00 54.79 54.64 2yqi n ASP 76 Cb 0.25 -0.56 -0.08 0.00 -0.64 0.00 0.00 41.12 40.09 2yqi n ASP 76 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2yqi h TYR 77 N 0.00 -0.10 -0.31 1.24 5.03 -0.20 -3.38 116.97 119.26 2yqi h TYR 77 Ca 0.00 -0.00 -0.61 0.00 2.58 0.00 0.00 58.73 60.69 2yqi h TYR 77 Cb 0.04 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.32 2yqi h TYR 77 CO 0.00 0.44 2.28 1.63 -1.32 0.00 0.00 178.16 181.19 2yqi n LYS 78 N -4.80 2.35 0.14 1.82 5.02 -0.98 -4.67 118.16 117.04 2yqi n LYS 78 Ca -0.07 -2.56 -0.00 0.00 -2.02 0.00 0.00 58.31 53.66 2yqi n LYS 78 Cb 0.28 -3.34 0.25 0.00 -0.02 0.00 0.00 35.03 32.21 2yqi n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2yqi h SER 79 N 7.62 0.08 -4.12 4.39 0.87 -1.78 -3.44 113.55 117.16 2yqi h SER 79 Ca 0.43 -0.04 -0.51 0.00 -1.23 0.00 0.00 61.79 60.45 2yqi h SER 79 Cb 0.77 -0.02 0.08 0.00 -0.44 0.00 0.00 62.40 62.79 2yqi h SER 79 CO 1.67 0.55 0.41 -1.59 -0.53 0.00 0.00 176.83 177.34 2yqi s LYS 80 N -3.97 3.15 0.00 2.24 0.00 -1.26 -5.19 119.74 114.71 2yqi s LYS 80 Ca -0.03 1.55 0.00 0.00 0.00 0.00 0.00 55.97 57.49 2yqi s LYS 80 Cb 0.13 -1.98 0.00 0.00 0.00 0.00 0.00 37.83 35.98 2yqi s LYS 80 CO 0.75 -1.00 0.00 0.41 0.00 0.00 0.00 175.35 175.51