#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 7.22 -0.21 1.61 0.01 -1.26 -4.94 113.70 116.13 2yqi s SER 2 Ca 0.00 1.96 -0.05 0.00 1.31 0.00 0.00 55.95 59.17 2yqi s SER 2 Cb 0.00 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.53 2yqi s SER 2 CO 0.00 -0.32 -0.23 -1.20 0.41 0.00 0.00 173.24 171.90 2yqi n SER 3 N 3.29 1.95 -1.64 2.44 7.64 -1.26 -5.05 113.62 121.00 2yqi n SER 3 Ca 0.06 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2yqi n SER 3 Cb 0.47 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 2.08 1.58 3.06 0.23 0.00 -1.26 -4.99 105.19 105.88 2yqi n GLY 4 Ca -0.39 -2.06 -0.50 0.00 0.00 0.00 0.00 46.02 43.07 2yqi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yqi n SER 5 N -2.35 -0.22 -0.04 1.61 2.88 -1.26 -4.90 113.62 109.34 2yqi n SER 5 Ca 0.00 1.01 -0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2yqi n SER 5 Cb 0.00 -0.81 -0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2yqi n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2yqi h SER 6 N 2.29 0.00 0.00 -3.46 0.02 -1.97 -3.51 113.55 106.92 2yqi h SER 6 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2yqi h SER 6 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2yqi h SER 6 CO 0.56 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 2yqi n GLY 7 N 1.83 3.17 3.55 -3.77 0.00 -1.26 -5.00 105.19 103.71 2yqi n GLY 7 Ca -0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 2yqi n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yqi s ASN 8 N 0.00 4.42 0.05 1.61 -0.87 -1.26 -4.84 114.94 114.05 2yqi s ASN 8 Ca 0.00 0.48 -0.27 0.00 -1.57 0.00 0.00 52.86 51.50 2yqi s ASN 8 Cb 0.00 -2.53 0.09 0.00 -0.02 0.00 0.00 41.25 38.79 2yqi s ASN 8 CO 0.00 -3.15 0.84 0.00 -2.57 0.00 0.00 177.10 172.22 2yqi s ALA 9 N 12.50 -1.74 0.39 0.60 0.00 -1.26 -5.16 121.76 127.10 2yqi s ALA 9 Ca 0.89 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 53.36 2yqi s ALA 9 Cb -0.14 0.55 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 2yqi s ALA 9 CO 0.17 -0.76 1.19 -1.25 0.00 0.00 0.00 175.76 175.11 2yqi s PRO 10 N -3.29 4.07 0.23 0.00 0.04 -1.26 -5.05 135.00 129.75 2yqi s PRO 10 Ca 0.05 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.05 2yqi s PRO 10 Cb -0.01 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 2yqi s PRO 10 CO -0.08 -0.32 0.25 0.15 0.04 0.00 0.00 177.00 177.04 2yqi s LYS 11 N -2.24 3.13 0.37 4.56 1.02 -1.26 -5.03 119.74 120.29 2yqi s LYS 11 Ca 0.56 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 55.36 2yqi s LYS 11 Cb -0.32 -2.70 -0.10 0.00 -0.52 0.00 0.00 37.83 34.18 2yqi s LYS 11 CO 0.41 0.42 1.40 1.03 -0.92 0.00 0.00 175.35 177.69 2yqi s ARG 12 N -3.79 4.16 0.51 1.68 0.52 -1.26 -4.98 118.95 115.79 2yqi s ARG 12 Ca 0.33 2.39 -0.21 0.00 -0.52 0.00 0.00 55.73 57.72 2yqi s ARG 12 Cb -0.09 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.35 2yqi s ARG 12 CO 0.26 -0.42 1.14 -1.25 0.02 0.00 0.00 175.30 175.06 2yqi s PRO 13 N -2.02 3.53 0.70 3.54 0.04 -1.26 -5.02 135.00 134.50 2yqi s PRO 13 Ca 0.52 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 2yqi s PRO 13 Cb -0.43 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 31.95 2yqi s PRO 13 CO 0.58 -0.72 1.10 -1.25 0.04 0.00 0.00 177.00 176.75 2yqi s PRO 14 N -3.03 2.62 0.22 0.56 0.04 -1.26 -4.99 135.00 129.17 2yqi s PRO 14 Ca 0.69 1.32 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2yqi s PRO 14 Cb -0.26 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2yqi s PRO 14 CO 0.30 -1.38 0.05 -1.12 0.04 0.00 0.00 177.00 174.90 2yqi s SER 15 N -2.85 4.93 0.54 6.66 0.01 -1.26 -4.71 113.70 117.02 2yqi s SER 15 Ca 0.65 -0.43 0.40 0.00 1.31 0.00 0.00 55.95 57.88 2yqi s SER 15 Cb -0.19 -1.08 1.59 0.00 0.21 0.00 0.00 66.02 66.54 2yqi s SER 15 CO 0.46 0.03 1.73 1.23 0.41 0.00 0.00 173.24 177.10 2yqi h GLY 16 N 2.12 0.10 1.17 3.44 0.00 -1.87 0.56 103.07 108.59 2yqi h GLY 16 Ca -0.46 -0.01 -0.25 0.00 0.00 0.00 0.00 47.33 46.61 2yqi h GLY 16 CO 0.60 -0.02 -0.92 -2.75 0.00 0.00 0.00 176.54 173.44 2yqi h PHE 17 N 0.02 1.03 0.58 5.60 3.57 -1.94 -3.01 116.94 122.79 2yqi h PHE 17 Ca 0.68 -0.52 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2yqi h PHE 17 Cb 2.67 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 41.29 2yqi h PHE 17 CO -0.00 1.36 -0.28 0.35 -2.23 0.00 0.00 178.31 177.51 2yqi h PHE 18 N 0.41 -0.72 -0.60 0.41 3.04 -0.32 -1.81 116.94 117.35 2yqi h PHE 18 Ca -0.10 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 61.93 2yqi h PHE 18 Cb 1.57 0.24 -0.11 0.00 2.56 0.00 0.00 35.95 40.21 2yqi h PHE 18 CO 0.10 -0.42 -0.38 -0.07 -2.02 0.00 0.00 178.31 175.53 2yqi h LEU 19 N -1.15 -1.30 -0.98 0.59 3.38 -1.34 1.20 115.31 115.70 2yqi h LEU 19 Ca -0.08 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2yqi h LEU 19 Cb 0.63 0.62 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 2yqi h LEU 19 CO 0.13 -0.32 0.63 0.15 0.09 0.00 0.00 178.44 179.13 2yqi h PHE 20 N -0.18 1.18 0.00 1.13 3.57 -1.59 0.24 116.94 121.28 2yqi h PHE 20 Ca 0.22 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2yqi h PHE 20 Cb 0.56 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2yqi h PHE 20 CO -0.67 0.62 -0.03 0.00 -2.23 0.00 0.00 178.31 175.99 2yqi h SER 22 N 0.00 0.00 0.72 0.00 4.64 0.32 -2.61 113.55 116.62 2yqi h SER 22 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2yqi h SER 22 Cb 0.80 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 2yqi h SER 22 CO 0.00 0.55 -1.40 -0.08 -0.87 0.00 0.00 176.83 175.03 2yqi h GLU 23 N 0.00 0.00 0.00 4.77 4.57 -0.52 -3.34 114.58 120.06 2yqi h GLU 23 Ca -0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2yqi h GLU 23 Cb 1.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 2yqi h GLU 23 CO 0.05 0.49 -0.96 1.19 -1.18 0.00 0.00 179.01 178.61 2yqi n PHE 24 N -3.05 0.89 -0.23 0.92 3.01 -0.71 -4.14 117.46 114.15 2yqi n PHE 24 Ca -0.10 0.26 0.03 0.00 1.01 0.00 0.00 57.45 58.65 2yqi n PHE 24 Cb 0.94 -0.90 0.15 0.00 -0.01 0.00 0.00 39.48 39.66 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 0.36 -0.45 -1.08 2.43 -1.58 -2.29 114.38 111.77 2yqi h ARG 25 Ca 0.00 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2yqi h ARG 25 Cb 0.96 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.33 2yqi h ARG 25 CO 0.00 0.24 -0.29 -1.35 -1.51 0.00 0.00 179.97 177.06 2yqi h PRO 26 N 0.37 -0.19 0.09 0.20 0.11 -1.77 -0.61 132.00 130.21 2yqi h PRO 26 Ca 0.37 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.51 2yqi h PRO 26 Cb 0.55 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2yqi h PRO 26 CO -0.40 -0.12 -0.24 0.87 -0.21 0.00 0.00 178.00 177.89 2yqi h LYS 27 N -0.19 -0.41 -0.70 1.05 1.57 -1.67 -1.38 116.57 114.83 2yqi h LYS 27 Ca 0.20 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.15 2yqi h LYS 27 Cb 0.52 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.83 2yqi h LYS 27 CO -0.56 -0.28 0.21 0.82 -0.57 0.00 0.00 179.45 179.07 2yqi h ILE 28 N -0.43 0.60 0.00 1.86 2.04 -1.18 0.76 117.51 121.17 2yqi h ILE 28 Ca 0.04 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2yqi h ILE 28 Cb 0.47 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2yqi h ILE 28 CO -0.15 0.06 0.00 0.11 0.00 0.00 0.00 178.15 178.17 2yqi h LYS 29 N 0.33 0.00 0.00 2.37 1.57 -0.59 0.07 116.57 120.32 2yqi h LYS 29 Ca 0.38 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.00 2yqi h LYS 29 Cb 0.61 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2yqi h LYS 29 CO -0.44 0.00 -1.93 0.43 -0.57 0.00 0.00 179.45 176.94 2yqi n SER 30 N -2.38 0.27 0.00 0.86 7.64 0.22 -4.44 113.62 115.79 2yqi n SER 30 Ca 0.01 0.12 -0.21 0.00 1.01 0.00 0.00 58.87 59.79 2yqi n SER 30 Cb 0.20 1.11 -0.14 0.00 -1.01 0.00 0.00 64.21 64.37 2yqi n SER 30 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2yqi h THR 31 N 0.00 1.02 -3.26 0.44 1.35 0.28 -3.46 112.91 109.28 2yqi h THR 31 Ca -0.23 -2.39 -0.58 0.00 -0.55 0.00 0.00 66.41 62.67 2yqi h THR 31 Cb 1.57 2.69 -0.07 0.00 -1.73 0.00 0.00 68.15 70.61 2yqi h THR 31 CO 0.02 0.69 -0.12 0.20 -0.25 0.00 0.00 175.52 176.06 2yqi s ASN 32 N -7.01 6.77 0.05 5.36 0.01 -0.04 -5.04 114.94 115.05 2yqi s ASN 32 Ca -0.20 0.92 -0.31 0.00 -0.71 0.00 0.00 52.86 52.56 2yqi s ASN 32 Cb 0.04 -2.30 -0.07 0.00 0.41 0.00 0.00 41.25 39.34 2yqi s ASN 32 CO 0.76 0.09 1.40 -2.16 -1.51 0.00 0.00 177.10 175.68 2yqi s PRO 33 N 0.11 4.30 -0.28 -0.60 0.04 -1.26 -3.32 135.00 133.98 2yqi s PRO 33 Ca 0.27 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.30 2yqi s PRO 33 Cb -0.16 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 30.98 2yqi s PRO 33 CO 0.12 -0.52 0.09 0.41 0.04 0.00 0.00 177.00 177.15 2yqi n GLY 34 N 3.59 -0.47 3.28 0.56 0.00 -1.26 -4.77 105.19 106.11 2yqi n GLY 34 Ca 0.12 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2yqi n GLY 34 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2yqi n ILE 35 N -2.67 0.33 -4.24 -0.61 3.06 -1.21 -4.96 119.36 109.06 2yqi n ILE 35 Ca 0.02 -0.50 -0.33 0.00 -2.50 0.00 0.00 62.75 59.44 2yqi n ILE 35 Cb 0.48 -0.10 -0.08 0.00 0.54 0.00 0.00 39.64 40.48 2yqi n ILE 35 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2yqi s SER 36 N -1.03 5.27 0.33 9.51 0.15 -1.26 -4.98 113.70 121.69 2yqi s SER 36 Ca 0.58 0.04 0.20 0.00 0.70 0.00 0.00 55.95 57.48 2yqi s SER 36 Cb -0.48 -1.42 1.20 0.00 -1.71 0.00 0.00 66.02 63.61 2yqi s SER 36 CO 0.65 0.29 1.37 -0.38 1.20 0.00 0.00 173.24 176.37 2yqi n ILE 37 N 1.41 -0.34 0.30 6.45 -0.00 -1.26 -0.02 119.36 125.91 2yqi n ILE 37 Ca -0.15 1.73 -0.17 0.00 -0.00 0.00 0.00 62.75 64.16 2yqi n ILE 37 Cb 0.53 -2.81 -0.09 0.00 -0.00 0.00 0.00 39.64 37.27 2yqi n ILE 37 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2yqi h GLY 38 N 0.00 -1.05 0.03 7.39 0.00 -1.99 -1.50 103.07 105.95 2yqi h GLY 38 Ca 0.75 0.48 0.03 0.00 0.00 0.00 0.00 47.33 48.59 2yqi h GLY 38 CO -0.62 -0.36 -0.45 -0.55 0.00 0.00 0.00 176.54 174.57 2yqi h ASP 39 N -0.92 -1.41 -0.63 0.19 3.32 -0.84 -0.54 116.42 115.60 2yqi h ASP 39 Ca -0.06 0.17 0.12 0.00 0.02 0.00 0.00 57.03 57.29 2yqi h ASP 39 Cb 0.79 0.56 -0.12 0.00 0.22 0.00 0.00 39.33 40.77 2yqi h ASP 39 CO -0.01 -0.46 -0.19 0.58 -1.72 0.00 0.00 179.24 177.44 2yqi h VAL 40 N -0.56 0.32 -0.37 -1.35 2.07 -1.44 0.59 116.25 115.52 2yqi h VAL 40 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2yqi h VAL 40 Cb 0.66 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2yqi h VAL 40 CO -0.37 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.34 2yqi h ALA 41 N 1.53 0.43 -0.21 1.67 0.00 -0.51 0.20 119.26 122.37 2yqi h ALA 41 Ca 0.30 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2yqi h ALA 41 Cb 0.49 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2yqi h ALA 41 CO -0.67 -0.27 0.06 -0.22 0.00 0.00 0.00 179.25 178.15 2yqi h LYS 42 N 0.27 0.15 0.45 0.00 3.64 0.54 -2.34 116.57 119.27 2yqi h LYS 42 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2yqi h LYS 42 Cb 0.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2yqi h LYS 42 CO -0.18 0.10 -0.21 0.87 -2.27 0.00 0.00 179.45 177.75 2yqi h LYS 43 N 0.15 -0.58 -0.75 1.90 6.56 -0.56 -3.16 116.57 120.14 2yqi h LYS 43 Ca 0.10 0.04 0.10 0.00 -1.06 0.00 0.00 60.65 59.82 2yqi h LYS 43 Cb 0.08 0.13 -0.11 0.00 -0.57 0.00 0.00 32.23 31.76 2yqi h LYS 43 CO -0.11 -0.39 -0.35 1.28 -2.06 0.00 0.00 179.45 177.82 2yqi n LEU 44 N -3.90 -0.60 -0.24 2.94 4.77 0.67 0.49 117.00 121.13 2yqi n LEU 44 Ca -0.07 1.32 -0.03 0.00 -0.03 0.00 0.00 56.01 57.19 2yqi n LEU 44 Cb 0.24 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2yqi n LEU 44 CO 0.18 -1.14 0.65 1.23 -1.33 0.00 0.00 177.39 176.97 2yqi h GLY 45 N 0.00 0.10 1.03 -0.72 0.00 -1.45 0.19 103.07 102.22 2yqi h GLY 45 Ca 0.21 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 2yqi h GLY 45 CO -0.73 -0.23 0.47 0.83 0.00 0.00 0.00 176.54 176.89 2yqi h GLU 46 N -0.09 1.24 0.31 4.80 4.39 0.08 -2.97 114.58 122.33 2yqi h GLU 46 Ca 0.29 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2yqi h GLU 46 Cb 0.56 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2yqi h GLU 46 CO -0.75 0.91 -0.21 0.52 -1.16 0.00 0.00 179.01 178.32 2yqi h MET 47 N 1.24 -0.50 -0.72 2.33 2.86 0.66 -0.42 114.93 120.39 2yqi h MET 47 Ca 0.31 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 58.14 2yqi h MET 47 Cb 0.04 0.11 -0.13 0.00 0.06 0.00 0.00 31.60 31.69 2yqi h MET 47 CO -0.05 -0.33 -0.07 2.35 1.06 0.00 0.00 176.91 179.87 2yqi h TRP 48 N -0.51 -0.18 -0.65 -0.22 2.91 -0.79 0.17 115.95 116.68 2yqi h TRP 48 Ca -0.03 0.06 -0.08 0.00 1.13 0.00 0.00 58.89 59.97 2yqi h TRP 48 Cb 0.44 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.26 2yqi h TRP 48 CO -0.11 -0.26 0.08 -0.97 -1.03 0.00 0.00 178.44 176.15 2yqi h ASN 49 N 0.06 1.05 -0.84 2.65 -1.24 -1.35 -2.72 115.58 113.19 2yqi h ASN 49 Ca 0.37 -0.26 0.15 0.00 0.71 0.00 0.00 56.30 57.27 2yqi h ASN 49 Cb 0.62 -0.28 -0.06 0.00 0.73 0.00 0.00 38.32 39.33 2yqi h ASN 49 CO -0.68 1.05 0.55 0.78 -1.29 0.00 0.00 177.43 177.85 2yqi h ASN 50 N 1.01 0.53 -4.12 1.15 2.35 0.11 -3.42 115.58 113.18 2yqi h ASN 50 Ca 0.20 0.03 -0.51 0.00 -0.55 0.00 0.00 56.30 55.47 2yqi h ASN 50 Cb 0.47 -0.07 0.20 0.00 0.05 0.00 0.00 38.32 38.97 2yqi h ASN 50 CO 0.02 0.26 0.19 -0.76 -1.65 0.00 0.00 177.43 175.49 2yqi s LEU 51 N -9.60 2.55 0.28 1.61 1.43 -0.75 -5.04 118.68 109.16 2yqi s LEU 51 Ca -0.09 2.11 0.08 0.00 -1.03 0.00 0.00 54.13 55.21 2yqi s LEU 51 Cb 0.22 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 2yqi s LEU 51 CO 0.78 -3.30 0.10 0.54 0.23 0.00 0.00 176.35 174.70 2yqi s ASN 52 N -2.62 4.91 0.60 2.29 2.20 -1.26 -4.96 114.94 116.09 2yqi s ASN 52 Ca 0.67 -0.54 0.29 0.00 -0.94 0.00 0.00 52.86 52.34 2yqi s ASN 52 Cb -0.23 -1.01 1.41 0.00 -2.00 0.00 0.00 41.25 39.42 2yqi s ASN 52 CO 0.59 -0.08 1.82 0.44 -2.94 0.00 0.00 177.10 176.93 2yqi h ASP 53 N 1.67 0.00 0.66 3.54 5.19 -1.96 0.49 116.42 126.01 2yqi h ASP 53 Ca -0.45 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 55.69 2yqi h ASP 53 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2yqi h ASP 53 CO 0.61 0.00 -1.23 -1.28 -3.12 0.00 0.00 179.24 174.22 2yqi h SER 54 N 0.00 0.39 0.52 6.45 0.87 -2.00 -2.78 113.55 117.00 2yqi h SER 54 Ca 0.24 -0.42 -0.20 0.00 -1.23 0.00 0.00 61.79 60.17 2yqi h SER 54 Cb 1.37 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2yqi h SER 54 CO -0.00 1.33 -0.89 -0.33 -0.53 0.00 0.00 176.83 176.41 2yqi h GLU 55 N 0.07 0.25 0.00 2.24 4.39 -0.50 -3.13 114.58 117.90 2yqi h GLU 55 Ca -0.13 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 2yqi h GLU 55 Cb 1.96 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2yqi h GLU 55 CO 0.20 0.99 -0.02 0.87 -1.16 0.00 0.00 179.01 179.89 2yqi h LYS 56 N 0.14 0.00 -0.36 2.33 1.57 -1.11 -3.33 116.57 115.81 2yqi h LYS 56 Ca -0.05 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2yqi h LYS 56 Cb 1.52 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.74 2yqi h LYS 56 CO 0.14 0.02 -0.48 1.96 -0.57 0.00 0.00 179.45 180.52 2yqi h GLN 57 N 0.00 -0.38 0.00 3.15 1.08 -1.43 0.71 115.11 118.24 2yqi h GLN 57 Ca -0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2yqi h GLN 57 Cb 0.88 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2yqi h GLN 57 CO 0.00 -0.25 0.00 -0.35 -0.95 0.00 0.00 178.83 177.28 2yqi n PRO 58 N -5.41 0.03 -0.05 1.46 -0.04 -1.25 -1.70 135.00 128.04 2yqi n PRO 58 Ca -0.02 0.24 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 2yqi n PRO 58 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.47 0.48 0.04 0.54 4.01 0.11 -3.86 117.16 117.01 2yqi n TYR 59 Ca 0.04 0.17 -0.15 0.00 -0.16 0.00 0.00 57.90 57.80 2yqi n TYR 59 Cb 0.16 -1.06 -0.14 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 1.07 -0.45 -0.72 2.04 0.54 -3.26 117.51 116.73 2yqi h ILE 60 Ca -0.39 -2.76 -0.04 0.00 1.00 0.00 0.00 64.86 62.67 2yqi h ILE 60 Cb 2.06 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 40.79 2yqi h ILE 60 CO 0.05 0.78 0.13 0.74 0.00 0.00 0.00 178.15 179.85 2yqi h THR 61 N 0.05 1.23 0.30 -0.27 2.02 -1.52 -2.31 112.91 112.40 2yqi h THR 61 Ca -0.26 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 2yqi h THR 61 Cb 2.00 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2yqi h THR 61 CO 0.14 0.27 -0.14 0.50 0.37 0.00 0.00 175.52 176.66 2yqi h LYS 62 N 0.59 -0.38 -0.97 6.66 3.64 -1.71 -2.69 116.57 121.71 2yqi h LYS 62 Ca 0.14 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.69 2yqi h LYS 62 Cb 0.29 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.10 2yqi h LYS 62 CO -0.00 -0.25 0.59 0.00 -2.27 0.00 0.00 179.45 177.52 2yqi h ALA 63 N 0.30 1.51 -0.91 5.00 0.00 -1.59 -0.58 119.26 122.99 2yqi h ALA 63 Ca -0.04 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2yqi h ALA 63 Cb 0.31 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2yqi h ALA 63 CO 0.07 0.09 0.54 0.00 0.00 0.00 0.00 179.25 179.95 2yqi h ALA 64 N 1.57 1.36 -0.41 0.00 0.00 -1.08 -1.53 119.26 119.17 2yqi h ALA 64 Ca 0.51 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 2yqi h ALA 64 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2yqi h ALA 64 CO -0.31 0.10 0.20 0.87 0.00 0.00 0.00 179.25 180.11 2yqi h LYS 65 N 0.84 0.59 -0.37 0.00 1.79 -0.95 -2.95 116.57 115.52 2yqi h LYS 65 Ca 0.46 -0.09 0.07 0.00 -2.18 0.00 0.00 60.65 58.91 2yqi h LYS 65 Cb 0.50 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.99 2yqi h LYS 65 CO -0.29 0.52 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.53 2yqi h LEU 66 N 0.53 -0.15 -0.80 2.94 -0.00 -1.10 -1.62 115.31 115.10 2yqi h LEU 66 Ca 0.14 0.09 0.17 0.00 -0.00 0.00 0.00 57.88 58.28 2yqi h LEU 66 Cb 0.12 0.15 -0.11 0.00 -0.00 0.00 0.00 40.66 40.83 2yqi h LEU 66 CO -0.02 -0.04 0.30 0.50 -0.00 0.00 0.00 178.44 179.19 2yqi h LYS 67 N 0.10 0.39 -0.50 1.13 3.64 -1.28 -1.69 116.57 118.36 2yqi h LYS 67 Ca 0.18 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2yqi h LYS 67 Cb 0.25 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.89 2yqi h LYS 67 CO -0.30 0.26 -0.44 0.93 -2.27 0.00 0.00 179.45 177.63 2yqi h GLU 68 N 0.40 -0.26 -0.18 1.90 4.39 -1.19 -1.02 114.58 118.62 2yqi h GLU 68 Ca 0.46 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.21 2yqi h GLU 68 Cb 0.77 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 2yqi h GLU 68 CO -0.46 -0.18 0.00 0.87 -1.16 0.00 0.00 179.01 178.08 2yqi h LYS 69 N -0.27 0.06 -0.75 2.33 1.57 -1.33 -2.76 116.57 115.41 2yqi h LYS 69 Ca 0.16 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.06 2yqi h LYS 69 Cb 0.57 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.74 2yqi h LYS 69 CO -0.64 0.04 -0.36 -0.92 -0.57 0.00 0.00 179.45 177.01 2yqi h TYR 70 N 0.06 -0.99 -0.58 -1.35 3.20 -0.74 0.20 116.97 116.77 2yqi h TYR 70 Ca 0.08 0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.15 2yqi h TYR 70 Cb 0.10 0.54 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 2yqi h TYR 70 CO -0.16 -0.39 0.12 0.93 -1.64 0.00 0.00 178.16 177.02 2yqi h GLU 71 N -0.10 0.25 -0.06 1.82 5.08 -1.06 0.36 114.58 120.88 2yqi h GLU 71 Ca 0.28 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2yqi h GLU 71 Cb 0.57 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2yqi h GLU 71 CO -0.80 0.17 0.16 0.87 -1.00 0.00 0.00 179.01 178.40 2yqi h LYS 72 N 0.26 0.00 0.00 2.33 6.56 -0.46 0.02 116.57 125.28 2yqi h LYS 72 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 2yqi h LYS 72 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2yqi h LYS 72 CO -0.39 0.00 -0.26 -0.44 -2.06 0.00 0.00 179.45 176.30 2yqi h ASP 73 N 0.00 0.00 -1.04 0.86 5.19 0.28 -2.92 116.42 118.79 2yqi h ASP 73 Ca 0.03 0.00 0.28 0.00 -0.62 0.00 0.00 57.03 56.71 2yqi h ASP 73 Cb 0.34 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.78 2yqi h ASP 73 CO -0.00 0.43 0.70 -0.37 -3.12 0.00 0.00 179.24 176.88 2yqi h VAL 74 N -0.61 0.52 0.15 -1.35 -1.51 -0.97 0.29 116.25 112.76 2yqi h VAL 74 Ca 0.00 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2yqi h VAL 74 Cb 0.26 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 2yqi h VAL 74 CO 0.00 0.05 -0.07 0.00 -1.23 0.00 0.00 177.57 176.32 2yqi h ALA 75 N 1.57 -0.20 0.00 5.19 0.00 -1.17 -3.22 119.26 121.43 2yqi h ALA 75 Ca 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2yqi h ALA 75 Cb 1.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2yqi h ALA 75 CO -0.19 -0.22 0.07 0.22 0.00 0.00 0.00 179.25 179.13 2yqi h ASP 76 N -0.98 0.00 1.48 0.00 3.58 -1.14 0.14 116.42 119.50 2yqi h ASP 76 Ca -0.02 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2yqi h ASP 76 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2yqi h ASP 76 CO 0.03 0.00 -0.20 0.22 -2.88 0.00 0.00 179.24 176.41 2yqi h TYR 77 N 0.00 0.00 -2.08 0.28 5.03 -0.49 -3.39 116.97 116.32 2yqi h TYR 77 Ca 0.00 0.00 -0.46 0.00 2.58 0.00 0.00 58.73 60.85 2yqi h TYR 77 Cb 0.13 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 2yqi h TYR 77 CO 0.00 0.20 -0.41 0.15 -1.32 0.00 0.00 178.16 176.78 2yqi s LYS 78 N -3.29 3.30 -0.22 1.82 1.02 0.48 -4.40 119.74 118.45 2yqi s LYS 78 Ca 0.04 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 2yqi s LYS 78 Cb 0.07 -2.84 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2yqi s LYS 78 CO 0.67 0.33 0.07 -1.13 -0.92 0.00 0.00 175.35 174.36 2yqi n SER 79 N -1.45 -0.87 -4.12 2.83 3.41 -1.26 -4.81 113.62 107.35 2yqi n SER 79 Ca -0.06 0.19 -0.30 0.00 -0.26 0.00 0.00 58.87 58.43 2yqi n SER 79 Cb 0.57 -0.84 0.17 0.00 -0.26 0.00 0.00 64.21 63.86 2yqi n SER 79 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2yqi n LYS 80 N -2.13 -1.87 0.00 4.33 0.00 -1.26 -5.10 118.16 112.12 2yqi n LYS 80 Ca 0.01 -0.54 0.00 0.00 -0.00 0.00 0.00 58.31 57.79 2yqi n LYS 80 Cb 0.38 -1.67 0.00 0.00 -0.00 0.00 0.00 35.03 33.75 2yqi n LYS 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81