#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 4.48 -0.04 1.61 0.01 -1.26 -5.08 113.70 113.42 2yqi s SER 2 Ca 0.00 -0.95 -0.06 0.00 1.31 0.00 0.00 55.95 56.24 2yqi s SER 2 Cb 0.00 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 2yqi s SER 2 CO 0.00 -0.41 -0.13 -1.20 0.41 0.00 0.00 173.24 171.90 2yqi n SER 3 N -1.17 1.16 0.00 2.44 7.64 -1.26 -5.14 113.62 117.30 2yqi n SER 3 Ca -0.02 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2yqi n SER 3 Cb 0.63 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2yqi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yqi n GLY 4 N 2.58 0.01 3.41 0.23 0.00 -1.26 -5.02 105.19 105.15 2yqi n GLY 4 Ca -0.11 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 2yqi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yqi s SER 5 N -4.00 -0.48 -0.03 1.61 1.04 -1.26 -5.06 113.70 105.51 2yqi s SER 5 Ca 0.00 0.46 -0.21 0.00 0.48 0.00 0.00 55.95 56.67 2yqi s SER 5 Cb 0.00 0.46 -0.28 0.00 0.10 0.00 0.00 66.02 66.30 2yqi s SER 5 CO 0.00 -0.57 0.97 0.28 0.98 0.00 0.00 173.24 174.90 2yqi h SER 6 N 3.26 0.49 -5.00 7.02 0.02 -1.96 -3.51 113.55 113.87 2yqi h SER 6 Ca -0.28 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 59.79 2yqi h SER 6 Cb 1.16 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2yqi h SER 6 CO 0.40 1.32 0.00 0.61 -1.14 0.00 0.00 176.83 178.02 2yqi n GLY 7 N 1.43 1.74 3.02 -3.77 0.00 -1.26 -4.96 105.19 101.40 2yqi n GLY 7 Ca -0.12 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 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 0.00 -2.87 -3.77 1.61 4.13 -1.26 -4.91 115.26 108.19 2yqi n ASN 8 Ca 0.00 -0.09 -0.13 0.00 1.68 0.00 0.00 54.58 56.04 2yqi n ASN 8 Cb 0.00 -2.45 -0.10 0.00 -1.54 0.00 0.00 39.78 35.69 2yqi n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yqi s ALA 9 N -2.64 -0.73 0.18 5.41 0.00 -1.26 -5.14 121.76 117.57 2yqi s ALA 9 Ca 0.24 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 2yqi s ALA 9 Cb -0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.63 2yqi s ALA 9 CO 0.29 -0.19 1.31 -1.25 0.00 0.00 0.00 175.76 175.93 2yqi s PRO 10 N -0.43 4.38 0.21 0.00 0.04 -1.26 -5.02 135.00 132.92 2yqi s PRO 10 Ca -0.05 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 2yqi s PRO 10 Cb -0.04 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 2yqi s PRO 10 CO 0.02 -0.28 0.61 -1.59 0.04 0.00 0.00 177.00 175.80 2yqi s LYS 11 N 0.14 3.99 0.45 4.56 -2.85 -1.26 -5.04 119.74 119.74 2yqi s LYS 11 Ca 0.58 0.53 -0.25 0.00 -1.00 0.00 0.00 55.97 55.83 2yqi s LYS 11 Cb -0.36 -2.77 -0.08 0.00 -2.06 0.00 0.00 37.83 32.55 2yqi s LYS 11 CO 0.36 0.37 1.40 0.54 0.10 0.00 0.00 175.35 178.13 2yqi n ARG 12 N 0.38 2.16 -2.26 1.78 1.74 -1.26 -4.96 116.66 114.24 2yqi n ARG 12 Ca -0.02 0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 57.47 2yqi n ARG 12 Cb 0.52 -2.58 -0.00 0.00 -1.02 0.00 0.00 32.46 29.38 2yqi n ARG 12 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2yqi s PRO 13 N -2.43 3.52 0.12 5.56 0.04 -1.26 -4.98 135.00 135.57 2yqi s PRO 13 Ca 0.62 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 63.03 2yqi s PRO 13 Cb -0.46 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 2yqi s PRO 13 CO 0.57 -0.73 1.35 -1.25 0.04 0.00 0.00 177.00 176.99 2yqi s PRO 14 N -3.04 4.34 0.41 0.56 0.04 -1.26 -5.01 135.00 131.04 2yqi s PRO 14 Ca 0.69 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.67 2yqi s PRO 14 Cb -0.26 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 2yqi s PRO 14 CO 0.30 -0.39 0.77 0.45 0.04 0.00 0.00 177.00 178.17 2yqi s SER 15 N 0.97 6.50 0.38 6.66 0.15 -1.26 -4.58 113.70 122.52 2yqi s SER 15 Ca 0.63 1.11 0.25 0.00 0.70 0.00 0.00 55.95 58.64 2yqi s SER 15 Cb -0.36 -2.31 1.34 0.00 -1.71 0.00 0.00 66.02 62.98 2yqi s SER 15 CO 0.31 -0.41 1.49 0.61 1.20 0.00 0.00 173.24 176.44 2yqi n GLY 16 N -1.38 -0.75 0.33 9.45 0.00 -1.25 0.20 105.19 111.79 2yqi n GLY 16 Ca 0.02 0.75 -0.07 0.00 0.00 0.00 0.00 46.02 46.72 2yqi n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2yqi h PHE 17 N 0.00 1.20 0.07 1.61 3.57 -1.92 -2.58 116.94 118.89 2yqi h PHE 17 Ca 0.82 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 62.19 2yqi h PHE 17 Cb 2.39 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.79 2yqi h PHE 17 CO -0.01 0.95 -0.03 0.35 -2.23 0.00 0.00 178.31 177.34 2yqi h PHE 18 N 1.10 -0.08 -1.03 0.41 3.04 0.18 -2.52 116.94 118.04 2yqi h PHE 18 Ca 0.24 -0.00 0.33 0.00 3.98 0.00 0.00 57.97 62.51 2yqi h PHE 18 Cb 0.33 0.03 -0.14 0.00 2.56 0.00 0.00 35.95 38.72 2yqi h PHE 18 CO 0.03 0.49 0.60 -0.07 -2.02 0.00 0.00 178.31 177.33 2yqi h LEU 19 N -0.88 0.49 -0.08 0.59 3.38 -1.00 0.65 115.31 118.47 2yqi h LEU 19 Ca -0.01 0.18 -0.25 0.00 0.09 0.00 0.00 57.88 57.89 2yqi h LEU 19 Cb 0.61 0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2yqi h LEU 19 CO 0.02 -0.13 -1.03 0.15 0.09 0.00 0.00 178.44 177.54 2yqi h PHE 20 N 0.31 0.74 -0.21 1.13 3.04 -1.52 -2.67 116.94 117.76 2yqi h PHE 20 Ca 0.74 -0.42 -0.07 0.00 3.98 0.00 0.00 57.97 62.19 2yqi h PHE 20 Cb 1.74 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 40.16 2yqi h PHE 20 CO -0.01 1.26 -0.19 0.00 -2.02 0.00 0.00 178.31 177.35 2yqi h SER 22 N 0.33 0.00 1.14 0.00 0.87 -0.55 -0.62 113.55 114.71 2yqi h SER 22 Ca 0.06 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 2yqi h SER 22 Cb 0.53 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2yqi h SER 22 CO 0.03 0.71 -0.90 -0.08 -0.53 0.00 0.00 176.83 176.07 2yqi h GLU 23 N 0.00 0.00 0.00 2.24 4.81 -1.10 -3.29 114.58 117.24 2yqi h GLU 23 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2yqi h GLU 23 Cb 1.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.85 2yqi h GLU 23 CO 0.09 0.57 -1.05 1.19 -0.73 0.00 0.00 179.01 179.07 2yqi n PHE 24 N -3.17 0.15 -0.19 0.92 3.01 0.00 -4.29 117.46 113.91 2yqi n PHE 24 Ca -0.02 0.04 -0.02 0.00 1.01 0.00 0.00 57.45 58.46 2yqi n PHE 24 Cb 0.83 -0.32 0.08 0.00 -0.01 0.00 0.00 39.48 40.05 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 0.49 -0.63 -1.08 2.43 -1.17 -2.57 114.38 111.84 2yqi h ARG 25 Ca 0.00 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 2yqi h ARG 25 Cb 0.68 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.00 2yqi h ARG 25 CO 0.00 0.32 -0.09 -1.35 -1.51 0.00 0.00 179.97 177.34 2yqi h PRO 26 N 0.50 0.04 0.36 0.20 0.11 -1.75 -0.04 132.00 131.42 2yqi h PRO 26 Ca 0.27 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 2yqi h PRO 26 Cb 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2yqi h PRO 26 CO -0.22 0.03 -0.17 0.87 -0.21 0.00 0.00 178.00 178.30 2yqi h LYS 27 N 0.04 -0.46 -0.83 1.05 1.57 -1.73 -0.14 116.57 116.07 2yqi h LYS 27 Ca 0.32 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.27 2yqi h LYS 27 Cb 0.50 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 2yqi h LYS 27 CO -0.61 -0.30 0.42 0.82 -0.57 0.00 0.00 179.45 179.21 2yqi h ILE 28 N -0.48 0.74 0.00 1.86 2.04 -1.14 1.11 117.51 121.63 2yqi h ILE 28 Ca -0.05 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2yqi h ILE 28 Cb 0.37 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2yqi h ILE 28 CO 0.08 0.11 0.00 0.11 0.00 0.00 0.00 178.15 178.45 2yqi h LYS 29 N 0.61 0.00 0.00 2.37 1.57 -0.75 -0.09 116.57 120.28 2yqi h LYS 29 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2yqi h LYS 29 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2yqi h LYS 29 CO -0.35 0.00 -1.55 0.43 -0.57 0.00 0.00 179.45 177.41 2yqi n SER 30 N -2.90 0.36 -0.07 0.86 7.64 0.12 -4.42 113.62 115.21 2yqi n SER 30 Ca 0.02 -0.05 -0.22 0.00 1.01 0.00 0.00 58.87 59.62 2yqi n SER 30 Cb 0.35 1.39 -0.12 0.00 -1.01 0.00 0.00 64.21 64.82 2yqi n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2yqi n THR 31 N -2.23 1.63 -3.43 0.44 -2.24 0.34 -4.90 114.28 103.89 2yqi n THR 31 Ca -0.02 -0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 60.96 2yqi n THR 31 Cb 0.52 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.91 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 -6.96 6.63 -0.18 3.42 0.01 -0.07 -5.04 114.94 112.75 2yqi s ASN 32 Ca -0.29 0.74 -0.29 0.00 -0.71 0.00 0.00 52.86 52.31 2yqi s ASN 32 Cb 0.08 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 2yqi s ASN 32 CO 0.65 0.10 1.58 -2.16 -1.51 0.00 0.00 177.10 175.76 2yqi s PRO 33 N 0.20 3.94 -1.32 -0.60 0.04 -1.26 -3.68 135.00 132.32 2yqi s PRO 33 Ca 0.22 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 2yqi s PRO 33 Cb -0.15 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.42 2yqi s PRO 33 CO 0.09 -1.12 0.48 0.41 0.04 0.00 0.00 177.00 176.90 2yqi n GLY 34 N 4.40 -0.57 3.73 0.56 0.00 -1.26 -4.87 105.19 107.19 2yqi n GLY 34 Ca 0.18 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.82 3.86 0.39 -0.61 2.07 -1.24 -5.02 121.20 116.84 2yqi s ILE 35 Ca 0.27 1.56 -0.23 0.00 -1.41 0.00 0.00 60.65 60.84 2yqi s ILE 35 Cb -0.13 -4.00 -0.10 0.00 0.13 0.00 0.00 42.46 38.36 2yqi s ILE 35 CO 0.94 0.25 0.99 -0.55 -1.91 0.00 0.00 174.94 174.66 2yqi s SER 36 N 0.08 6.96 0.26 4.50 0.15 -1.26 -4.89 113.70 119.49 2yqi s SER 36 Ca 0.51 1.86 -0.05 0.00 0.70 0.00 0.00 55.95 58.98 2yqi s SER 36 Cb -0.30 -2.57 0.51 0.00 -1.71 0.00 0.00 66.02 61.95 2yqi s SER 36 CO 0.34 -0.34 1.63 0.40 1.20 0.00 0.00 173.24 176.47 2yqi h ILE 37 N 2.19 0.31 -0.82 6.45 2.04 -1.99 0.18 117.51 125.87 2yqi h ILE 37 Ca -0.48 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 65.48 2yqi h ILE 37 Cb 1.20 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.37 2yqi h ILE 37 CO 0.62 0.02 0.41 1.23 0.00 0.00 0.00 178.15 180.44 2yqi h GLY 38 N 0.12 1.31 0.86 5.37 0.00 -1.99 0.35 103.07 109.08 2yqi h GLY 38 Ca 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2yqi h GLY 38 CO -0.69 -0.03 -0.18 -0.55 0.00 0.00 0.00 176.54 175.10 2yqi h ASP 39 N 0.61 -0.43 -0.78 0.19 5.19 -1.03 -2.34 116.42 117.83 2yqi h ASP 39 Ca 0.44 -0.07 0.10 0.00 -0.62 0.00 0.00 57.03 56.88 2yqi h ASP 39 Cb 0.60 0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.17 2yqi h ASP 39 CO -0.35 -0.20 0.51 0.58 -3.12 0.00 0.00 179.24 176.67 2yqi h VAL 40 N -0.66 0.93 -0.54 -1.35 2.07 -0.93 -0.64 116.25 115.14 2yqi h VAL 40 Ca -0.05 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2yqi h VAL 40 Cb 0.47 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2yqi h VAL 40 CO 0.09 0.13 0.12 0.00 0.02 0.00 0.00 177.57 177.92 2yqi h ALA 41 N 1.61 1.20 -0.37 1.67 0.00 -0.73 -1.12 119.26 121.51 2yqi h ALA 41 Ca 0.36 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2yqi h ALA 41 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2yqi h ALA 41 CO -0.14 0.55 -0.22 -0.22 0.00 0.00 0.00 179.25 179.22 2yqi h LYS 42 N 0.80 0.80 0.46 0.00 3.64 -0.58 -3.01 116.57 118.67 2yqi h LYS 42 Ca 0.17 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2yqi h LYS 42 Cb 0.31 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2yqi h LYS 42 CO 0.00 1.00 -0.22 0.87 -2.27 0.00 0.00 179.45 178.83 2yqi h LYS 43 N 0.60 -0.60 -0.64 1.90 1.57 -1.16 -3.22 116.57 115.03 2yqi h LYS 43 Ca 0.08 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 2yqi h LYS 43 Cb 0.78 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.14 2yqi h LYS 43 CO 0.06 -0.30 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.10 2yqi h LEU 44 N -0.88 -1.69 -0.98 2.94 3.38 -1.27 0.22 115.31 117.02 2yqi h LEU 44 Ca -0.06 0.24 0.33 0.00 0.09 0.00 0.00 57.88 58.48 2yqi h LEU 44 Cb 0.58 0.73 -0.18 0.00 0.09 0.00 0.00 40.66 41.87 2yqi h LEU 44 CO 0.10 -0.24 0.22 0.61 0.09 0.00 0.00 178.44 179.22 2yqi n GLY 45 N -1.25 -1.10 0.17 0.83 0.00 -1.14 -0.37 105.19 102.34 2yqi n GLY 45 Ca -0.00 0.90 -0.13 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 -0.32 -0.88 1.61 4.39 -0.63 -2.76 114.58 115.99 2yqi h GLU 46 Ca 0.69 0.02 0.21 0.00 0.34 0.00 0.00 59.36 60.62 2yqi h GLU 46 Cb 1.62 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 30.22 2yqi h GLU 46 CO -0.86 0.02 0.38 0.52 -1.16 0.00 0.00 179.01 177.92 2yqi h MET 47 N -0.71 0.40 0.57 2.33 2.86 0.54 -0.83 114.93 120.09 2yqi h MET 47 Ca -0.03 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2yqi h MET 47 Cb 0.48 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.06 2yqi h MET 47 CO 0.05 0.26 -0.27 2.35 1.06 0.00 0.00 176.91 180.36 2yqi h TRP 48 N 0.41 -0.71 -1.16 -0.22 2.91 -1.04 -2.13 115.95 114.01 2yqi h TRP 48 Ca 0.54 -0.02 0.33 0.00 1.13 0.00 0.00 58.89 60.88 2yqi h TRP 48 Cb 1.01 0.23 -0.10 0.00 -0.51 0.00 0.00 29.16 29.79 2yqi h TRP 48 CO -0.14 -0.44 0.76 -0.97 -1.03 0.00 0.00 178.44 176.61 2yqi h ASN 49 N -0.77 0.33 -0.46 2.65 -0.73 -1.12 0.38 115.58 115.85 2yqi h ASN 49 Ca -0.08 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.15 2yqi h ASN 49 Cb 0.59 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.20 2yqi h ASN 49 CO 0.13 -0.01 0.17 0.78 -0.37 0.00 0.00 177.43 178.12 2yqi h ASN 50 N 0.25 0.66 -2.81 1.15 2.35 -0.88 -3.44 115.58 112.85 2yqi h ASN 50 Ca 0.67 -0.19 -0.58 0.00 -0.55 0.00 0.00 56.30 55.65 2yqi h ASN 50 Cb 1.96 -0.17 0.18 0.00 0.05 0.00 0.00 38.32 40.33 2yqi h ASN 50 CO -0.30 0.67 -0.59 0.18 -1.65 0.00 0.00 177.43 175.74 2yqi n LEU 51 N -4.56 -0.27 -4.96 1.61 4.77 0.13 -4.98 117.00 108.74 2yqi n LEU 51 Ca 0.01 0.66 -0.23 0.00 -0.03 0.00 0.00 56.01 56.43 2yqi n LEU 51 Cb 0.17 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 2yqi n LEU 51 CO 0.38 -3.50 0.02 0.20 -1.33 0.00 0.00 177.39 173.17 2yqi s ASN 52 N -1.21 6.32 0.44 -1.43 0.01 -1.26 -4.92 114.94 112.89 2yqi s ASN 52 Ca 0.65 0.22 0.21 0.00 -0.71 0.00 0.00 52.86 53.23 2yqi s ASN 52 Cb -0.42 -1.93 1.19 0.00 0.41 0.00 0.00 41.25 40.50 2yqi s ASN 52 CO 0.58 -0.12 1.84 0.44 -1.51 0.00 0.00 177.10 178.33 2yqi h ASP 53 N 1.19 0.32 1.56 -1.22 5.19 -1.97 0.79 116.42 122.27 2yqi h ASP 53 Ca -0.51 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 55.91 2yqi h ASP 53 Cb 1.22 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 2yqi h ASP 53 CO 0.62 0.10 -0.14 0.77 -3.12 0.00 0.00 179.24 177.47 2yqi h SER 54 N 0.31 0.00 0.54 6.45 4.64 -2.00 -2.27 113.55 121.22 2yqi h SER 54 Ca 0.50 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.53 2yqi h SER 54 Cb 1.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 2yqi h SER 54 CO -0.17 0.14 -1.43 -0.33 -0.87 0.00 0.00 176.83 174.18 2yqi h GLU 55 N 0.00 0.22 0.00 4.77 4.39 0.14 -3.31 114.58 120.79 2yqi h GLU 55 Ca -0.00 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.32 2yqi h GLU 55 Cb 0.96 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2yqi h GLU 55 CO 0.02 1.09 -0.17 0.87 -1.16 0.00 0.00 179.01 179.67 2yqi h LYS 56 N 0.06 0.00 -0.65 2.33 1.57 -1.08 -3.36 116.57 115.44 2yqi h LYS 56 Ca -0.20 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2yqi h LYS 56 Cb 1.98 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.19 2yqi h LYS 56 CO 0.16 0.02 -0.51 1.96 -0.57 0.00 0.00 179.45 180.51 2yqi h GLN 57 N 0.00 -0.21 0.00 3.15 1.08 -1.49 0.89 115.11 118.53 2yqi h GLN 57 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2yqi h GLN 57 Cb 1.01 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2yqi h GLN 57 CO 0.00 -0.14 0.00 -0.35 -0.95 0.00 0.00 178.83 177.39 2yqi n PRO 58 N -5.36 0.04 -0.03 1.46 -0.04 -1.26 -2.01 135.00 127.80 2yqi n PRO 58 Ca 0.01 0.23 -0.04 0.00 -0.04 0.00 0.00 63.50 63.66 2yqi n PRO 58 Cb 0.33 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.46 0.47 0.05 0.54 4.01 0.25 -4.19 117.16 116.84 2yqi n TYR 59 Ca 0.04 0.16 -0.22 0.00 -0.16 0.00 0.00 57.90 57.72 2yqi n TYR 59 Cb 0.16 -0.98 -0.15 0.00 -0.31 0.00 0.00 39.34 38.06 2yqi n TYR 59 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2yqi h ILE 60 N 0.00 1.04 -0.91 -0.72 2.04 0.46 -3.31 117.51 116.11 2yqi h ILE 60 Ca -0.30 -2.48 0.19 0.00 1.00 0.00 0.00 64.86 63.26 2yqi h ILE 60 Cb 1.82 2.80 -0.07 0.00 -0.74 0.00 0.00 36.82 40.63 2yqi h ILE 60 CO 0.04 0.78 0.59 0.74 0.00 0.00 0.00 178.15 180.31 2yqi h THR 61 N -0.09 0.71 -0.12 -0.27 2.02 -1.61 -1.02 112.91 112.53 2yqi h THR 61 Ca -0.31 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2yqi h THR 61 Cb 1.94 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2yqi h THR 61 CO 0.14 0.09 -0.03 0.50 0.37 0.00 0.00 175.52 176.59 2yqi h LYS 62 N 0.51 0.22 -0.70 6.66 3.64 -1.73 -2.98 116.57 122.19 2yqi h LYS 62 Ca 0.48 -0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.90 2yqi h LYS 62 Cb 1.05 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 2yqi h LYS 62 CO -0.21 0.52 0.47 0.00 -2.27 0.00 0.00 179.45 177.96 2yqi h ALA 63 N 0.70 2.05 -0.21 5.00 0.00 -1.29 -1.87 119.26 123.65 2yqi h ALA 63 Ca 0.03 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2yqi h ALA 63 Cb 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2yqi h ALA 63 CO 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 179.25 179.01 2yqi h ALA 64 N 1.66 0.16 -0.86 0.00 0.00 -1.25 -1.04 119.26 117.93 2yqi h ALA 64 Ca 0.34 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.41 2yqi h ALA 64 Cb 0.71 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2yqi h ALA 64 CO -0.10 -0.45 0.50 0.87 0.00 0.00 0.00 179.25 180.07 2yqi h LYS 65 N 0.03 0.81 -0.60 0.00 1.79 -1.36 -1.40 116.57 115.84 2yqi h LYS 65 Ca 0.10 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 2yqi h LYS 65 Cb 0.14 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2yqi h LYS 65 CO -0.19 0.54 0.16 -0.07 -1.08 0.00 0.00 179.45 178.81 2yqi h LEU 66 N 0.83 0.90 -0.97 2.94 3.38 -1.31 -2.81 115.31 118.28 2yqi h LEU 66 Ca 0.42 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2yqi h LEU 66 Cb 0.39 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2yqi h LEU 66 CO -0.25 0.89 0.64 0.50 0.09 0.00 0.00 178.44 180.31 2yqi h LYS 67 N 0.87 1.21 -0.18 1.13 3.64 -0.16 -2.12 116.57 120.96 2yqi h LYS 67 Ca 0.19 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2yqi h LYS 67 Cb 0.33 -0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 2yqi h LYS 67 CO -0.00 0.80 -0.36 0.93 -2.27 0.00 0.00 179.45 178.55 2yqi h GLU 68 N 1.24 -0.39 -0.40 1.90 4.39 -1.09 -0.81 114.58 119.41 2yqi h GLU 68 Ca 0.38 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.11 2yqi h GLU 68 Cb -0.02 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2yqi h GLU 68 CO -0.12 -0.26 0.25 0.87 -1.16 0.00 0.00 179.01 178.59 2yqi h LYS 69 N -0.41 0.54 -0.15 2.33 1.57 -1.51 -2.81 116.57 116.13 2yqi h LYS 69 Ca 0.10 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2yqi h LYS 69 Cb 0.58 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 2yqi h LYS 69 CO -0.40 0.39 -0.49 -0.92 -0.57 0.00 0.00 179.45 177.47 2yqi h TYR 70 N 0.53 -1.43 -0.98 -1.35 3.20 -0.69 0.44 116.97 116.69 2yqi h TYR 70 Ca 0.14 0.06 0.21 0.00 3.14 0.00 0.00 58.73 62.28 2yqi h TYR 70 Cb -0.01 0.64 -0.09 0.00 1.54 0.00 0.00 36.73 38.81 2yqi h TYR 70 CO -0.04 -0.51 0.62 0.93 -1.64 0.00 0.00 178.16 177.52 2yqi h GLU 71 N -0.53 0.56 -0.49 1.82 5.08 -1.09 0.24 114.58 120.18 2yqi h GLU 71 Ca 0.06 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2yqi h GLU 71 Cb 0.66 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2yqi h GLU 71 CO -0.43 0.37 0.02 -0.22 -1.00 0.00 0.00 179.01 177.75 2yqi h LYS 72 N 0.58 0.80 0.30 2.33 3.11 -0.71 -1.85 116.57 121.12 2yqi h LYS 72 Ca 0.55 -0.21 -0.01 0.00 -2.81 0.00 0.00 60.65 58.17 2yqi h LYS 72 Cb 1.11 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 2yqi h LYS 72 CO -0.30 0.79 -0.14 -0.44 -2.81 0.00 0.00 179.45 176.55 2yqi h ASP 73 N 0.75 -0.34 -0.92 4.20 5.19 0.85 -2.42 116.42 123.73 2yqi h ASP 73 Ca 0.15 0.01 0.25 0.00 -0.62 0.00 0.00 57.03 56.82 2yqi h ASP 73 Cb 0.43 0.09 -0.14 0.00 0.18 0.00 0.00 39.33 39.89 2yqi h ASP 73 CO 0.02 -0.03 0.39 -0.37 -3.12 0.00 0.00 179.24 176.13 2yqi h VAL 74 N -0.83 0.38 -0.69 -1.35 -1.51 -1.22 0.41 116.25 111.45 2yqi h VAL 74 Ca -0.04 -0.11 -0.07 0.00 -1.23 0.00 0.00 66.70 65.25 2yqi h VAL 74 Cb 0.30 0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 29.46 2yqi h VAL 74 CO 0.07 0.06 0.16 0.00 -1.23 0.00 0.00 177.57 176.62 2yqi h ALA 75 N 1.77 0.98 0.00 5.19 0.00 -1.41 -1.84 119.26 123.95 2yqi h ALA 75 Ca 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2yqi h ALA 75 Cb 1.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2yqi h ALA 75 CO -0.59 0.66 0.00 -3.47 0.00 0.00 0.00 179.25 175.85 2yqi n ASP 76 N -4.23 0.22 0.09 0.00 2.03 0.13 -2.41 116.55 112.38 2yqi n ASP 76 Ca 0.05 0.54 0.12 0.00 0.52 0.00 0.00 54.79 56.02 2yqi n ASP 76 Cb 0.26 -0.59 0.01 0.00 -0.72 0.00 0.00 41.12 40.08 2yqi n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yqi n TYR 77 N -1.73 0.84 -2.02 -0.67 4.19 -0.23 -4.22 117.16 113.32 2yqi n TYR 77 Ca 0.04 0.24 -0.39 0.00 3.31 0.00 0.00 57.90 61.10 2yqi n TYR 77 Cb 0.25 -0.88 0.03 0.00 0.49 0.00 0.00 39.34 39.23 2yqi n TYR 77 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2yqi n LYS 78 N -2.56 3.23 -1.44 2.98 2.85 -1.01 -4.93 118.16 117.27 2yqi n LYS 78 Ca 0.00 -3.64 -0.15 0.00 -1.05 0.00 0.00 58.31 53.46 2yqi n LYS 78 Cb 0.53 -2.30 -0.11 0.00 -0.65 0.00 0.00 35.03 32.50 2yqi n LYS 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2yqi n SER 79 N -0.33 1.03 -4.01 -5.58 7.64 -1.26 -4.82 113.62 106.29 2yqi n SER 79 Ca 0.53 -2.40 -0.24 0.00 1.01 0.00 0.00 58.87 57.77 2yqi n SER 79 Cb 0.26 -1.54 -0.16 0.00 -1.01 0.00 0.00 64.21 61.75 2yqi n SER 79 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2yqi s LYS 80 N 8.15 1.57 0.00 1.43 3.01 -1.26 -5.21 119.74 127.42 2yqi s LYS 80 Ca 0.74 -0.37 0.00 0.00 -1.01 0.00 0.00 55.97 55.33 2yqi s LYS 80 Cb -0.03 -1.32 0.00 0.00 -1.01 0.00 0.00 37.83 35.47 2yqi s LYS 80 CO 0.19 0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.48