#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 6.02 -0.48 1.61 0.01 -1.26 -4.93 113.70 114.67 2yqi s SER 2 Ca 0.00 1.18 -0.28 0.00 1.31 0.00 0.00 55.95 58.16 2yqi s SER 2 Cb 0.00 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 2yqi s SER 2 CO 0.00 -1.62 1.58 -0.55 0.41 0.00 0.00 173.24 173.06 2yqi s SER 3 N 5.46 5.96 0.00 2.44 0.15 -1.26 -4.68 113.70 121.77 2yqi s SER 3 Ca 0.75 0.65 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2yqi s SER 3 Cb -0.20 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2yqi s SER 3 CO 0.33 -1.77 0.00 0.61 1.20 0.00 0.00 173.24 173.61 2yqi n GLY 4 N 5.34 2.12 3.46 9.45 0.00 -1.26 -4.94 105.19 119.36 2yqi n GLY 4 Ca 0.17 -1.39 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 2yqi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqi s SER 5 N 0.00 6.72 -0.04 1.61 0.01 -1.26 -4.96 113.70 115.78 2yqi s SER 5 Ca 0.00 -2.23 -0.02 0.00 1.31 0.00 0.00 55.95 55.01 2yqi s SER 5 Cb 0.00 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.84 2yqi s SER 5 CO 0.00 -1.01 0.09 -0.44 0.41 0.00 0.00 173.24 172.29 2yqi s SER 6 N 3.52 -0.06 0.03 2.44 0.01 -1.26 -5.16 113.70 113.22 2yqi s SER 6 Ca 0.35 0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.68 2yqi s SER 6 Cb -0.04 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.32 2yqi s SER 6 CO -0.07 -0.09 0.23 -0.83 0.41 0.00 0.00 173.24 172.89 2yqi s GLY 7 N 0.60 -0.02 -0.09 3.44 0.00 -1.26 -5.09 107.32 104.90 2yqi s GLY 7 Ca -0.05 -0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.43 2yqi s GLY 7 CO -0.02 -0.31 -0.23 0.70 0.00 0.00 0.00 173.10 173.24 2yqi n ASN 8 N 0.83 1.55 -4.77 1.64 3.02 -1.26 -5.01 115.26 111.27 2yqi n ASN 8 Ca -0.20 0.25 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 2yqi n ASN 8 Cb 0.58 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.65 3.15 0.23 5.41 0.00 -1.26 -4.98 121.76 121.67 2yqi s ALA 9 Ca -0.19 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 2yqi s ALA 9 Cb 0.03 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2yqi s ALA 9 CO 0.28 -0.70 1.29 -1.25 0.00 0.00 0.00 175.76 175.38 2yqi s PRO 10 N -2.35 4.41 -0.01 0.00 0.04 -1.26 -5.02 135.00 130.80 2yqi s PRO 10 Ca 0.58 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.54 2yqi s PRO 10 Cb -0.34 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 2yqi s PRO 10 CO 0.42 -0.20 0.37 0.15 0.04 0.00 0.00 177.00 177.78 2yqi s LYS 11 N -0.49 3.83 0.22 4.56 1.02 -1.26 -5.01 119.74 122.62 2yqi s LYS 11 Ca 0.54 0.31 -0.18 0.00 0.02 0.00 0.00 55.97 56.67 2yqi s LYS 11 Cb -0.36 -3.20 -0.12 0.00 -0.52 0.00 0.00 37.83 33.63 2yqi s LYS 11 CO 0.41 0.70 0.21 0.54 -0.92 0.00 0.00 175.35 176.28 2yqi n ARG 12 N 1.77 0.00 -2.25 1.68 1.74 -1.26 -4.83 116.66 113.51 2yqi n ARG 12 Ca -0.14 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 2yqi n ARG 12 Cb 0.53 -0.73 -0.03 0.00 -1.02 0.00 0.00 32.46 31.21 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 -0.73 4.46 0.88 5.56 0.04 -1.26 -5.02 135.00 138.93 2yqi s PRO 13 Ca 0.45 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 2yqi s PRO 13 Cb -0.57 -3.13 0.12 0.00 0.04 0.00 0.00 34.50 30.97 2yqi s PRO 13 CO 0.43 -0.06 1.09 -1.25 0.04 0.00 0.00 177.00 177.25 2yqi s PRO 14 N -1.45 1.38 0.14 0.56 0.04 -1.26 -4.99 135.00 129.41 2yqi s PRO 14 Ca 0.48 0.86 0.05 0.00 0.04 0.00 0.00 61.00 62.43 2yqi s PRO 14 Cb -0.37 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2yqi s PRO 14 CO 0.47 -2.17 0.09 0.45 0.04 0.00 0.00 177.00 175.88 2yqi s SER 15 N -3.42 5.34 0.30 6.66 0.15 -1.26 -4.83 113.70 116.64 2yqi s SER 15 Ca 0.63 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 57.13 2yqi s SER 15 Cb -0.18 -1.35 0.70 0.00 -1.71 0.00 0.00 66.02 63.48 2yqi s SER 15 CO 0.57 0.11 1.59 1.23 1.20 0.00 0.00 173.24 177.93 2yqi h GLY 16 N 2.76 1.20 0.97 9.45 0.00 -1.84 1.02 103.07 116.63 2yqi h GLY 16 Ca -0.47 0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.06 2yqi h GLY 16 CO 0.62 -0.47 0.50 -2.75 0.00 0.00 0.00 176.54 174.44 2yqi h PHE 17 N 0.04 0.79 -0.06 5.60 3.57 -1.95 -2.25 116.94 122.68 2yqi h PHE 17 Ca 0.57 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 62.03 2yqi h PHE 17 Cb 1.15 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2yqi h PHE 17 CO -0.46 0.40 -0.20 0.35 -2.23 0.00 0.00 178.31 176.17 2yqi h PHE 18 N 0.77 0.31 -1.00 0.41 3.04 0.63 -2.00 116.94 119.09 2yqi h PHE 18 Ca 0.33 -0.13 0.20 0.00 3.98 0.00 0.00 57.97 62.36 2yqi h PHE 18 Cb 0.31 -0.05 -0.11 0.00 2.56 0.00 0.00 35.95 38.66 2yqi h PHE 18 CO -0.00 0.82 0.61 -0.07 -2.02 0.00 0.00 178.31 177.66 2yqi h LEU 19 N -0.29 0.74 -0.03 0.59 4.07 -0.63 0.16 115.31 119.91 2yqi h LEU 19 Ca -0.01 0.10 -0.26 0.00 0.08 0.00 0.00 57.88 57.79 2yqi h LEU 19 Cb 0.84 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.56 2yqi h LEU 19 CO 0.04 0.23 -1.08 0.15 -1.08 0.00 0.00 178.44 176.71 2yqi h PHE 20 N 0.70 0.76 -0.25 1.13 3.04 -1.43 -2.76 116.94 118.12 2yqi h PHE 20 Ca 0.59 -0.45 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 2yqi h PHE 20 Cb 1.00 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 2yqi h PHE 20 CO -0.00 1.29 -0.05 0.00 -2.02 0.00 0.00 178.31 177.52 2yqi h SER 22 N 0.37 0.00 1.09 0.00 0.87 -0.81 -1.20 113.55 113.88 2yqi h SER 22 Ca 0.08 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 2yqi h SER 22 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2yqi h SER 22 CO 0.01 0.64 -0.97 -0.08 -0.53 0.00 0.00 176.83 175.91 2yqi h GLU 23 N 0.00 0.00 0.00 2.24 4.81 -1.10 -3.31 114.58 117.21 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 0.08 0.43 -1.23 1.19 -0.73 0.00 0.00 179.01 178.75 2yqi n PHE 24 N -3.07 0.46 -0.20 0.92 3.01 0.44 -4.24 117.46 114.78 2yqi n PHE 24 Ca -0.04 0.13 -0.02 0.00 1.01 0.00 0.00 57.45 58.54 2yqi n PHE 24 Cb 0.80 -0.64 0.09 0.00 -0.01 0.00 0.00 39.48 39.72 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 0.48 -0.58 -1.08 2.43 -1.30 -2.58 114.38 111.75 2yqi h ARG 25 Ca 0.00 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 2yqi h ARG 25 Cb 0.88 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.21 2yqi h ARG 25 CO 0.00 0.32 -0.17 -1.35 -1.51 0.00 0.00 179.97 177.26 2yqi h PRO 26 N 0.49 -0.02 0.77 0.20 0.11 -1.74 -0.34 132.00 131.47 2yqi h PRO 26 Ca 0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.36 2yqi h PRO 26 Cb 0.27 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2yqi h PRO 26 CO -0.24 -0.02 -0.42 0.87 -0.21 0.00 0.00 178.00 177.99 2yqi h LYS 27 N -0.03 -1.06 -0.40 1.05 1.57 -1.72 -2.62 116.57 113.36 2yqi h LYS 27 Ca 0.28 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.20 2yqi h LYS 27 Cb 0.45 0.24 -0.09 0.00 0.08 0.00 0.00 32.23 32.91 2yqi h LYS 27 CO -0.61 -0.71 -0.42 0.82 -0.57 0.00 0.00 179.45 177.96 2yqi h ILE 28 N -1.10 0.12 0.00 1.86 2.04 -1.22 0.83 117.51 120.05 2yqi h ILE 28 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2yqi h ILE 28 Cb 0.86 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2yqi h ILE 28 CO 0.14 0.00 0.28 0.11 0.00 0.00 0.00 178.15 178.68 2yqi h LYS 29 N -0.32 0.00 0.00 2.37 1.57 -1.02 0.24 116.57 119.40 2yqi h LYS 29 Ca 0.14 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2yqi h LYS 29 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2yqi h LYS 29 CO -0.57 0.00 -1.04 0.45 -0.57 0.00 0.00 179.45 177.72 2yqi n SER 30 N -2.45 1.85 -0.28 0.86 2.88 0.26 -4.42 113.62 112.32 2yqi n SER 30 Ca -0.01 0.50 -0.05 0.00 -1.33 0.00 0.00 58.87 57.98 2yqi n SER 30 Cb 0.32 -0.90 0.06 0.00 -0.75 0.00 0.00 64.21 62.94 2yqi n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yqi h THR 31 N -1.00 1.23 -3.42 2.46 1.03 -0.02 -3.42 112.91 109.77 2yqi h THR 31 Ca -0.21 -0.53 -0.54 0.00 -0.01 0.00 0.00 66.41 65.11 2yqi h THR 31 Cb 0.98 0.18 -0.04 0.00 -1.07 0.00 0.00 68.15 68.20 2yqi h THR 31 CO -0.13 0.24 0.21 0.20 -0.01 0.00 0.00 175.52 176.03 2yqi s ASN 32 N -6.05 7.22 -0.19 0.00 0.01 0.76 -5.01 114.94 111.67 2yqi s ASN 32 Ca -0.13 1.46 -0.29 0.00 -0.71 0.00 0.00 52.86 53.19 2yqi s ASN 32 Cb 0.15 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 2yqi s ASN 32 CO 0.80 -0.09 1.59 -2.16 -1.51 0.00 0.00 177.10 175.73 2yqi s PRO 33 N 0.41 3.88 -0.64 -0.60 0.04 -1.26 -4.02 135.00 132.81 2yqi s PRO 33 Ca 0.42 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 2yqi s PRO 33 Cb -0.20 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.34 2yqi s PRO 33 CO 0.24 -1.19 0.43 0.41 0.04 0.00 0.00 177.00 176.93 2yqi n GLY 34 N 4.50 -0.86 3.88 0.56 0.00 -1.26 -4.90 105.19 107.12 2yqi n GLY 34 Ca 0.18 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.97 4.82 0.03 -0.61 2.07 -1.26 -5.08 121.20 118.20 2yqi s ILE 35 Ca 0.08 0.53 -0.01 0.00 -1.41 0.00 0.00 60.65 59.84 2yqi s ILE 35 Cb -0.04 -3.74 -0.04 0.00 0.13 0.00 0.00 42.46 38.77 2yqi s ILE 35 CO 0.65 -0.51 0.17 -0.44 -1.91 0.00 0.00 174.94 172.90 2yqi s SER 36 N -3.20 6.20 0.31 4.50 0.01 -1.26 -4.98 113.70 115.28 2yqi s SER 36 Ca 0.50 0.25 0.06 0.00 1.31 0.00 0.00 55.95 58.08 2yqi s SER 36 Cb -0.10 -1.89 0.86 0.00 0.21 0.00 0.00 66.02 65.10 2yqi s SER 36 CO 0.32 0.21 1.63 0.40 0.41 0.00 0.00 173.24 176.20 2yqi h ILE 37 N 2.50 0.21 -0.44 1.44 2.04 -1.99 0.14 117.51 121.42 2yqi h ILE 37 Ca -0.47 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.42 2yqi h ILE 37 Cb 1.17 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 2yqi h ILE 37 CO 0.71 0.03 -0.11 1.23 0.00 0.00 0.00 178.15 180.01 2yqi h GLY 38 N 0.16 0.31 0.86 5.37 0.00 -1.99 0.16 103.07 107.93 2yqi h GLY 38 Ca 0.63 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 48.07 2yqi h GLY 38 CO -0.72 -0.17 -0.35 -0.55 0.00 0.00 0.00 176.54 174.76 2yqi h ASP 39 N -0.00 -0.82 -0.56 0.19 3.32 -1.14 -2.99 116.42 114.42 2yqi h ASP 39 Ca 0.21 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.37 2yqi h ASP 39 Cb 0.32 0.21 -0.11 0.00 0.22 0.00 0.00 39.33 39.97 2yqi h ASP 39 CO -0.45 -0.49 -0.20 0.58 -1.72 0.00 0.00 179.24 176.96 2yqi h VAL 40 N -1.13 0.35 -0.73 -1.35 2.07 -1.18 -0.63 116.25 113.67 2yqi h VAL 40 Ca -0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.57 2yqi h VAL 40 Cb 0.77 0.35 -0.14 0.00 -1.52 0.00 0.00 31.29 30.75 2yqi h VAL 40 CO 0.16 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.60 2yqi h ALA 41 N 1.39 0.52 0.29 1.67 0.00 -0.67 0.22 119.26 122.68 2yqi h ALA 41 Ca 0.26 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2yqi h ALA 41 Cb 0.47 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2yqi h ALA 41 CO -0.60 -0.42 -0.21 -0.22 0.00 0.00 0.00 179.25 177.80 2yqi h LYS 42 N 0.01 -0.49 0.07 0.00 3.64 -0.98 -2.74 116.57 116.08 2yqi h LYS 42 Ca 0.36 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.79 2yqi h LYS 42 Cb 0.56 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 2yqi h LYS 42 CO -0.73 -0.32 -0.29 0.87 -2.27 0.00 0.00 179.45 176.71 2yqi h LYS 43 N -0.50 -0.45 -0.94 1.90 1.57 -0.63 -2.53 116.57 114.98 2yqi h LYS 43 Ca -0.02 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.95 2yqi h LYS 43 Cb 0.44 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 32.69 2yqi h LYS 43 CO -0.00 -0.30 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.17 2yqi h LEU 44 N -0.47 -1.23 -0.48 2.94 3.38 -0.52 0.24 115.31 119.18 2yqi h LEU 44 Ca 0.04 0.29 0.10 0.00 0.09 0.00 0.00 57.88 58.41 2yqi h LEU 44 Cb 0.53 0.69 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 2yqi h LEU 44 CO -0.20 -0.30 -0.07 1.23 0.09 0.00 0.00 178.44 179.19 2yqi h GLY 45 N -0.02 0.41 0.63 0.83 0.00 -1.15 -0.86 103.07 102.92 2yqi h GLY 45 Ca 0.37 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.90 2yqi h GLY 45 CO -0.96 -0.17 0.53 0.83 0.00 0.00 0.00 176.54 176.78 2yqi h GLU 46 N 0.04 0.91 -0.00 4.80 3.07 -0.41 -2.57 114.58 120.42 2yqi h GLU 46 Ca 0.24 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.08 2yqi h GLU 46 Cb 0.36 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 2yqi h GLU 46 CO -0.46 0.60 -0.33 0.52 -1.40 0.00 0.00 179.01 177.94 2yqi h MET 47 N 0.93 -0.46 -0.66 2.33 2.86 -0.30 -1.62 114.93 118.00 2yqi h MET 47 Ca 0.40 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 58.21 2yqi h MET 47 Cb 0.27 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 31.92 2yqi h MET 47 CO -0.21 -0.31 0.02 2.35 1.06 0.00 0.00 176.91 179.82 2yqi h TRP 48 N -0.48 -0.01 0.00 -0.22 2.91 -1.14 0.60 115.95 117.61 2yqi h TRP 48 Ca 0.06 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 2yqi h TRP 48 Cb 0.57 0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.32 2yqi h TRP 48 CO -0.35 -0.17 -0.03 -0.97 -1.03 0.00 0.00 178.44 175.89 2yqi h ASN 49 N 0.13 0.00 0.89 2.65 -1.24 -1.20 -1.31 115.58 115.50 2yqi h ASN 49 Ca 0.35 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 57.15 2yqi h ASN 49 Cb 0.59 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 2yqi h ASN 49 CO -0.56 0.03 -0.99 0.78 -1.29 0.00 0.00 177.43 175.40 2yqi h ASN 50 N 0.00 0.07 -4.14 1.15 2.35 0.11 -3.46 115.58 111.66 2yqi h ASN 50 Ca -0.00 -0.07 -0.51 0.00 -0.55 0.00 0.00 56.30 55.17 2yqi h ASN 50 Cb 0.06 -0.02 0.19 0.00 0.05 0.00 0.00 38.32 38.60 2yqi h ASN 50 CO 0.00 1.01 0.21 -0.76 -1.65 0.00 0.00 177.43 176.25 2yqi s LEU 51 N -6.89 2.59 0.33 1.61 1.43 -0.33 -5.04 118.68 112.39 2yqi s LEU 51 Ca -0.00 2.03 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 2yqi s LEU 51 Cb 0.10 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 2yqi s LEU 51 CO 0.82 -3.09 0.37 0.20 0.23 0.00 0.00 176.35 174.89 2yqi s ASN 52 N -2.78 5.61 0.15 2.29 0.01 -1.26 -4.97 114.94 113.98 2yqi s ASN 52 Ca 0.66 -0.35 0.13 0.00 -0.71 0.00 0.00 52.86 52.59 2yqi s ASN 52 Cb -0.22 -1.10 0.63 0.00 0.41 0.00 0.00 41.25 40.97 2yqi s ASN 52 CO 0.58 -0.38 1.39 -0.67 -1.51 0.00 0.00 177.10 176.51 2yqi n ASP 53 N -1.49 0.29 0.02 -1.22 2.03 -1.26 -0.91 116.55 114.01 2yqi n ASP 53 Ca -0.01 0.62 0.09 0.00 0.52 0.00 0.00 54.79 56.01 2yqi n ASP 53 Cb 0.59 -0.66 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 2yqi n ASP 53 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2yqi n SER 54 N -1.87 0.29 0.04 1.67 2.88 -1.26 -3.60 113.62 111.77 2yqi n SER 54 Ca 0.00 0.12 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2yqi n SER 54 Cb 0.06 1.38 -0.14 0.00 -0.75 0.00 0.00 64.21 64.76 2yqi n SER 54 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2yqi h GLU 55 N 0.00 0.14 0.00 -1.46 4.39 -1.40 -3.31 114.58 112.93 2yqi h GLU 55 Ca -0.05 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2yqi h GLU 55 Cb 1.12 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2yqi h GLU 55 CO 0.00 0.95 -0.07 0.87 -1.16 0.00 0.00 179.01 179.61 2yqi h LYS 56 N 0.04 0.00 -0.52 2.33 1.57 -1.57 -3.35 116.57 115.06 2yqi h LYS 56 Ca -0.22 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2yqi h LYS 56 Cb 1.97 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.18 2yqi h LYS 56 CO 0.13 0.00 -0.50 1.96 -0.57 0.00 0.00 179.45 180.47 2yqi h GLN 57 N 0.00 -0.28 0.00 3.15 1.08 -1.65 0.78 115.11 118.19 2yqi h GLN 57 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2yqi h GLN 57 Cb 0.97 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2yqi h GLN 57 CO 0.00 -0.19 0.00 -0.35 -0.95 0.00 0.00 178.83 177.34 2yqi n PRO 58 N -5.38 0.04 -0.06 1.46 -0.04 -1.26 -1.79 135.00 127.98 2yqi n PRO 58 Ca -0.01 0.23 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 2yqi n PRO 58 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.48 -0.04 0.54 4.01 0.18 -3.95 117.16 116.93 2yqi n TYR 59 Ca 0.04 0.17 -0.19 0.00 -0.16 0.00 0.00 57.90 57.76 2yqi n TYR 59 Cb 0.16 -1.07 -0.13 0.00 -0.31 0.00 0.00 39.34 37.98 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 1.33 -1.00 -0.72 2.04 0.60 -3.30 117.51 116.45 2yqi h ILE 60 Ca -0.41 -2.35 0.13 0.00 1.00 0.00 0.00 64.86 63.23 2yqi h ILE 60 Cb 2.09 2.89 -0.09 0.00 -0.74 0.00 0.00 36.82 40.98 2yqi h ILE 60 CO 0.05 0.58 0.63 0.74 0.00 0.00 0.00 178.15 180.15 2yqi h THR 61 N -0.72 0.90 -0.86 -0.27 2.02 -1.57 -0.43 112.91 111.98 2yqi h THR 61 Ca -0.19 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 2yqi h THR 61 Cb 1.38 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2yqi h THR 61 CO -0.01 0.18 0.52 0.50 0.37 0.00 0.00 175.52 177.07 2yqi h LYS 62 N 0.96 1.16 -0.62 6.66 3.64 -1.70 -2.37 116.57 124.29 2yqi h LYS 62 Ca 0.50 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.71 2yqi h LYS 62 Cb 0.54 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2yqi h LYS 62 CO -0.27 0.80 0.08 0.00 -2.27 0.00 0.00 179.45 177.79 2yqi h ALA 63 N 1.40 0.97 -0.80 5.00 0.00 -1.17 -2.94 119.26 121.71 2yqi h ALA 63 Ca 0.31 -0.27 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2yqi h ALA 63 Cb -0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 17.79 17.39 2yqi h ALA 63 CO -0.06 0.64 0.32 0.00 0.00 0.00 0.00 179.25 180.15 2yqi h ALA 64 N 1.12 1.17 0.00 0.00 0.00 -0.90 0.52 119.26 121.17 2yqi h ALA 64 Ca 0.19 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2yqi h ALA 64 Cb 0.44 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2yqi h ALA 64 CO 0.01 -0.26 -0.04 0.87 0.00 0.00 0.00 179.25 179.83 2yqi h LYS 65 N 0.42 0.00 0.08 0.00 1.57 -1.50 -1.45 116.57 115.68 2yqi h LYS 65 Ca 0.46 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.99 2yqi h LYS 65 Cb 0.77 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.08 2yqi h LYS 65 CO -0.46 0.04 -1.13 -0.07 -0.57 0.00 0.00 179.45 177.27 2yqi h LEU 66 N 0.00 0.49 -0.13 2.94 3.38 -0.04 -2.93 115.31 119.02 2yqi h LEU 66 Ca -0.00 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 2yqi h LEU 66 Cb 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2yqi h LEU 66 CO 0.01 1.32 -0.23 0.50 0.09 0.00 0.00 178.44 180.12 2yqi h LYS 67 N 0.14 0.39 -0.94 1.13 3.64 -0.59 -1.28 116.57 119.06 2yqi h LYS 67 Ca -0.12 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.03 2yqi h LYS 67 Cb 1.81 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.61 2yqi h LYS 67 CO 0.19 0.84 0.62 1.05 -2.27 0.00 0.00 179.45 179.88 2yqi h GLU 68 N -0.02 1.23 0.00 1.90 4.11 -1.40 -1.08 114.58 119.32 2yqi h GLU 68 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2yqi h GLU 68 Cb 0.82 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2yqi h GLU 68 CO 0.05 0.81 0.00 -0.22 0.07 0.00 0.00 179.01 179.72 2yqi h LYS 69 N 1.26 0.00 0.32 1.06 3.64 -1.52 -3.33 116.57 118.00 2yqi h LYS 69 Ca 0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2yqi h LYS 69 Cb -0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2yqi h LYS 69 CO -0.08 0.00 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.03 2yqi h TYR 70 N 0.00 -0.40 -1.61 1.91 3.20 0.02 -3.01 116.97 117.09 2yqi h TYR 70 Ca 0.00 -0.01 0.49 0.00 3.14 0.00 0.00 58.73 62.35 2yqi h TYR 70 Cb 0.77 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 39.07 2yqi h TYR 70 CO 0.00 -0.25 1.11 0.93 -1.64 0.00 0.00 178.16 178.32 2yqi h GLU 71 N -0.99 0.03 0.22 1.82 5.08 -1.54 0.43 114.58 119.63 2yqi h GLU 71 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2yqi h GLU 71 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2yqi h GLU 71 CO 0.07 0.02 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.78 2yqi h LYS 72 N 0.03 -0.28 -0.57 2.33 3.64 -1.67 -0.34 116.57 119.71 2yqi h LYS 72 Ca 0.85 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 60.22 2yqi h LYS 72 Cb 3.10 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 34.96 2yqi h LYS 72 CO -0.18 0.09 0.27 0.22 -2.27 0.00 0.00 179.45 177.58 2yqi h ASP 73 N -0.76 0.74 -0.60 4.20 3.58 -0.17 -1.72 116.42 121.70 2yqi h ASP 73 Ca -0.03 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.24 2yqi h ASP 73 Cb 0.51 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 2yqi h ASP 73 CO 0.05 0.67 0.20 0.58 -2.88 0.00 0.00 179.24 177.86 2yqi h VAL 74 N 0.77 1.24 0.89 2.25 2.07 -0.73 -0.91 116.25 121.82 2yqi h VAL 74 Ca 0.19 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2yqi h VAL 74 Cb 0.13 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2yqi h VAL 74 CO -0.02 0.30 -0.43 0.00 0.02 0.00 0.00 177.57 177.44 2yqi h ALA 75 N 1.07 -1.27 -0.39 1.67 0.00 -0.82 -2.88 119.26 116.64 2yqi h ALA 75 Ca 0.19 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2yqi h ALA 75 Cb 0.26 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2yqi h ALA 75 CO -0.01 -1.18 -0.03 0.22 0.00 0.00 0.00 179.25 178.25 2yqi h ASP 76 N -1.25 -0.21 -0.94 0.00 3.58 -1.34 -1.47 116.42 114.79 2yqi h ASP 76 Ca -0.12 0.10 0.28 0.00 0.42 0.00 0.00 57.03 57.71 2yqi h ASP 76 Cb 0.92 0.18 -0.15 0.00 1.72 0.00 0.00 39.33 42.00 2yqi h ASP 76 CO 0.20 -0.07 0.31 0.22 -2.88 0.00 0.00 179.24 177.03 2yqi h TYR 77 N 0.08 0.47 -0.98 0.28 5.03 -1.13 -3.40 116.97 117.32 2yqi h TYR 77 Ca 0.19 0.05 -0.49 0.00 2.58 0.00 0.00 58.73 61.07 2yqi h TYR 77 Cb 0.28 -0.05 0.04 0.00 1.55 0.00 0.00 36.73 38.54 2yqi h TYR 77 CO -0.29 -0.27 -0.07 0.15 -1.32 0.00 0.00 178.16 176.37 2yqi s LYS 78 N -5.84 2.21 -1.63 1.82 1.02 -0.55 -4.54 119.74 112.22 2yqi s LYS 78 Ca -0.11 -1.57 -0.14 0.00 0.02 0.00 0.00 55.97 54.17 2yqi s LYS 78 Cb 0.28 -2.60 0.12 0.00 -0.52 0.00 0.00 37.83 35.11 2yqi s LYS 78 CO 0.78 -0.95 0.71 0.43 -0.92 0.00 0.00 175.35 175.39 2yqi n SER 79 N -2.33 -2.70 -0.04 2.83 7.64 -1.26 -4.86 113.62 112.90 2yqi n SER 79 Ca 0.16 -1.00 -0.14 0.00 1.01 0.00 0.00 58.87 58.90 2yqi n SER 79 Cb 0.61 -2.87 -0.08 0.00 -1.01 0.00 0.00 64.21 60.86 2yqi n SER 79 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2yqi h LYS 80 N -1.62 0.36 0.00 1.43 1.57 -1.80 -3.49 116.57 113.02 2yqi h LYS 80 Ca -0.60 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 57.94 2yqi h LYS 80 Cb 1.38 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2yqi h LYS 80 CO 0.74 0.84 0.00 0.41 -0.57 0.00 0.00 179.45 180.87