#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqi n SER 2 N 0.00 0.35 -4.65 1.61 7.64 -1.26 -5.01 113.62 112.30 2yqi n SER 2 Ca 0.00 0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 2yqi n SER 2 Cb 0.00 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 2yqi n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yqi s SER 3 N -5.31 6.75 -0.13 6.43 0.01 -1.26 -5.04 113.70 115.15 2yqi s SER 3 Ca -0.01 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2yqi s SER 3 Cb 0.00 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.86 2yqi s SER 3 CO 0.01 -0.38 -0.12 -0.83 0.41 0.00 0.00 173.24 172.33 2yqi s GLY 4 N 1.28 1.02 0.13 3.44 0.00 -1.26 -5.13 107.32 106.80 2yqi s GLY 4 Ca 0.32 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.32 2yqi s GLY 4 CO 0.10 0.57 -0.12 -0.45 0.00 0.00 0.00 173.10 173.20 2yqi s SER 5 N 1.48 1.81 0.10 1.64 0.15 -1.26 -5.16 113.70 112.45 2yqi s SER 5 Ca 0.03 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 55.83 2yqi s SER 5 Cb -0.13 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 2yqi s SER 5 CO -0.09 -0.24 -0.11 -0.55 1.20 0.00 0.00 173.24 173.45 2yqi s SER 6 N -2.75 1.57 0.00 5.45 0.15 -1.26 -5.06 113.70 111.81 2yqi s SER 6 Ca 0.11 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2yqi s SER 6 Cb -0.02 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2yqi s SER 6 CO 0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2yqi n GLY 7 N 0.61 -1.49 2.39 9.45 0.00 -1.26 -5.14 105.19 109.74 2yqi n GLY 7 Ca -0.16 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 2yqi n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yqi n ASN 8 N 0.00 -2.46 -3.76 1.61 2.85 -1.26 -4.99 115.26 107.26 2yqi n ASN 8 Ca 0.00 0.52 -0.13 0.00 -0.11 0.00 0.00 54.58 54.86 2yqi n ASN 8 Cb 0.00 -0.63 -0.09 0.00 1.24 0.00 0.00 39.78 40.30 2yqi n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yqi s ALA 9 N -1.37 -0.79 1.11 5.20 0.00 -1.26 -5.14 121.76 119.50 2yqi s ALA 9 Ca 0.42 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 2yqi s ALA 9 Cb -0.40 0.02 0.24 0.00 0.00 0.00 0.00 23.12 22.98 2yqi s ALA 9 CO 0.47 -0.25 1.10 -1.25 0.00 0.00 0.00 175.76 175.83 2yqi s PRO 10 N -1.19 -0.46 0.29 0.00 0.04 -1.26 -5.08 135.00 127.34 2yqi s PRO 10 Ca -0.12 0.20 0.11 0.00 0.04 0.00 0.00 61.00 61.23 2yqi s PRO 10 Cb -0.05 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 2yqi s PRO 10 CO 0.04 -3.26 -0.16 0.15 0.04 0.00 0.00 177.00 173.81 2yqi s LYS 11 N -5.19 1.70 0.37 4.56 -0.14 -1.26 -5.12 119.74 114.65 2yqi s LYS 11 Ca 0.68 -1.81 -0.26 0.00 -1.36 0.00 0.00 55.97 53.22 2yqi s LYS 11 Cb -0.14 -1.69 -0.09 0.00 -1.68 0.00 0.00 37.83 34.23 2yqi s LYS 11 CO 0.57 0.25 1.17 1.03 -0.76 0.00 0.00 175.35 177.61 2yqi s ARG 12 N -3.56 4.22 0.44 1.68 0.52 -1.26 -5.00 118.95 115.99 2yqi s ARG 12 Ca 0.30 1.87 -0.24 0.00 -0.52 0.00 0.00 55.73 57.15 2yqi s ARG 12 Cb -0.02 -2.83 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 2yqi s ARG 12 CO 0.15 -0.18 1.17 -1.25 0.02 0.00 0.00 175.30 175.21 2yqi s PRO 13 N -2.06 3.87 1.12 3.54 0.04 -1.26 -5.04 135.00 135.21 2yqi s PRO 13 Ca 0.53 1.82 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 2yqi s PRO 13 Cb -0.32 -2.52 0.25 0.00 0.04 0.00 0.00 34.50 31.95 2yqi s PRO 13 CO 0.41 -0.47 1.10 -1.25 0.04 0.00 0.00 177.00 176.83 2yqi s PRO 14 N -2.53 -0.56 0.25 0.56 0.04 -1.26 -5.02 135.00 126.47 2yqi s PRO 14 Ca 0.61 0.17 0.09 0.00 0.04 0.00 0.00 61.00 61.92 2yqi s PRO 14 Cb -0.30 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2yqi s PRO 14 CO 0.37 -3.32 -0.03 0.45 0.04 0.00 0.00 177.00 174.51 2yqi s SER 15 N -3.70 4.46 0.49 6.66 0.15 -1.26 -4.83 113.70 115.66 2yqi s SER 15 Ca 0.69 -0.65 0.37 0.00 0.70 0.00 0.00 55.95 57.06 2yqi s SER 15 Cb -0.14 -0.80 1.53 0.00 -1.71 0.00 0.00 66.02 64.90 2yqi s SER 15 CO 0.57 0.02 1.64 1.23 1.20 0.00 0.00 173.24 177.90 2yqi h GLY 16 N 2.10 0.74 1.69 9.45 0.00 -1.86 1.51 103.07 116.70 2yqi h GLY 16 Ca -0.44 -0.07 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 2yqi h GLY 16 CO 0.59 -0.22 -0.75 -2.75 0.00 0.00 0.00 176.54 173.41 2yqi h PHE 17 N 0.06 0.41 0.00 5.60 3.57 -1.94 -3.09 116.94 121.55 2yqi h PHE 17 Ca 0.82 -0.19 -0.05 0.00 3.53 0.00 0.00 57.97 62.08 2yqi h PHE 17 Cb 2.86 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 41.54 2yqi h PHE 17 CO -0.00 0.94 -0.22 0.35 -2.23 0.00 0.00 178.31 177.16 2yqi h PHE 18 N 0.20 0.00 0.51 0.41 3.04 0.16 -3.06 116.94 118.20 2yqi h PHE 18 Ca -0.03 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 2yqi h PHE 18 Cb 1.33 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.84 2yqi h PHE 18 CO 0.03 0.22 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.23 2yqi h LEU 19 N 0.00 -0.58 -1.10 0.59 -0.00 -0.81 -2.11 115.31 111.29 2yqi h LEU 19 Ca -0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 2yqi h LEU 19 Cb 1.14 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.92 2yqi h LEU 19 CO 0.03 -0.22 0.26 0.15 -0.00 0.00 0.00 178.44 178.66 2yqi h PHE 20 N -0.98 0.89 -0.34 1.13 3.57 -1.66 -0.93 116.94 118.61 2yqi h PHE 20 Ca -0.07 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2yqi h PHE 20 Cb 0.61 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2yqi h PHE 20 CO 0.01 0.68 0.16 0.00 -2.23 0.00 0.00 178.31 176.92 2yqi h SER 22 N 0.48 0.00 0.46 0.00 0.87 -0.70 -2.46 113.55 112.20 2yqi h SER 22 Ca 0.12 -0.18 -0.28 0.00 -1.23 0.00 0.00 61.79 60.22 2yqi h SER 22 Cb 0.07 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 2yqi h SER 22 CO -0.02 0.09 -1.75 1.21 -0.53 0.00 0.00 176.83 175.84 2yqi n GLU 23 N -2.17 0.64 0.00 2.24 4.07 -0.42 -4.10 120.64 120.91 2yqi n GLU 23 Ca 0.03 0.25 0.11 0.00 -0.06 0.00 0.00 57.16 57.49 2yqi n GLU 23 Cb 0.45 -1.76 -0.02 0.00 -0.06 0.00 0.00 31.44 30.04 2yqi n GLU 23 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2yqi n PHE 24 N -2.98 0.05 -0.21 4.31 3.01 0.97 -4.33 117.46 118.28 2yqi n PHE 24 Ca -0.18 0.01 -0.00 0.00 1.01 0.00 0.00 57.45 58.30 2yqi n PHE 24 Cb 1.03 -0.17 0.11 0.00 -0.01 0.00 0.00 39.48 40.44 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 0.45 -0.58 -1.08 2.43 -1.59 -2.44 114.38 111.57 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 0.58 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 29.91 2yqi h ARG 25 CO 0.00 0.30 -0.17 -1.35 -1.51 0.00 0.00 179.97 177.24 2yqi h PRO 26 N 0.46 -0.02 0.44 0.20 0.11 -1.80 -0.61 132.00 130.79 2yqi h PRO 26 Ca 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 2yqi h PRO 26 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2yqi h PRO 26 CO -0.28 -0.01 -0.21 0.87 -0.21 0.00 0.00 178.00 178.16 2yqi h LYS 27 N -0.02 -0.57 -0.49 1.05 1.57 -1.73 -1.85 116.57 114.53 2yqi h LYS 27 Ca 0.28 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.19 2yqi h LYS 27 Cb 0.45 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.78 2yqi h LYS 27 CO -0.61 -0.35 -0.29 0.82 -0.57 0.00 0.00 179.45 178.45 2yqi h ILE 28 N -0.65 0.25 0.00 1.86 2.04 -1.08 1.00 117.51 120.93 2yqi h ILE 28 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2yqi h ILE 28 Cb 0.49 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2yqi h ILE 28 CO 0.10 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.36 2yqi h LYS 29 N -0.17 0.00 0.00 2.37 1.57 -1.06 0.95 116.57 120.23 2yqi h LYS 29 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2yqi h LYS 29 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2yqi h LYS 29 CO -0.59 0.00 -1.67 0.43 -0.57 0.00 0.00 179.45 177.04 2yqi n SER 30 N -2.37 0.28 -0.05 0.86 7.64 0.28 -4.43 113.62 115.82 2yqi n SER 30 Ca -0.00 0.09 -0.22 0.00 1.01 0.00 0.00 58.87 59.75 2yqi n SER 30 Cb 0.12 1.50 -0.13 0.00 -1.01 0.00 0.00 64.21 64.70 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 -2.38 1.66 -3.46 0.44 -2.24 0.22 -4.89 114.28 103.63 2yqi n THR 31 Ca -0.03 -0.44 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 2yqi n THR 31 Cb 0.56 -1.80 -0.06 0.00 -2.10 0.00 0.00 70.33 66.92 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 -6.97 6.60 0.04 3.42 0.01 0.20 -5.05 114.94 113.19 2yqi s ASN 32 Ca -0.27 0.71 -0.30 0.00 -0.71 0.00 0.00 52.86 52.29 2yqi s ASN 32 Cb 0.07 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.44 2yqi s ASN 32 CO 0.67 0.12 1.42 -2.16 -1.51 0.00 0.00 177.10 175.65 2yqi s PRO 33 N 0.16 4.28 -1.23 -0.60 0.04 -1.26 -3.59 135.00 132.80 2yqi s PRO 33 Ca 0.21 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.18 2yqi s PRO 33 Cb -0.14 -3.50 0.10 0.00 0.04 0.00 0.00 34.50 31.00 2yqi s PRO 33 CO 0.08 -0.55 0.25 0.41 0.04 0.00 0.00 177.00 177.22 2yqi n GLY 34 N 3.64 -0.20 3.71 0.56 0.00 -1.26 -4.80 105.19 106.84 2yqi n GLY 34 Ca 0.13 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.23 4.57 -3.15 -0.61 3.06 -1.24 -5.00 119.36 113.77 2yqi n ILE 35 Ca -0.05 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.40 2yqi n ILE 35 Cb 0.39 -1.45 -0.04 0.00 0.54 0.00 0.00 39.64 39.08 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 -1.28 6.54 0.30 9.51 0.15 -1.26 -4.96 113.70 122.69 2yqi s SER 36 Ca 0.80 0.96 0.03 0.00 0.70 0.00 0.00 55.95 58.44 2yqi s SER 36 Cb -0.39 -2.25 0.62 0.00 -1.71 0.00 0.00 66.02 62.29 2yqi s SER 36 CO 0.43 -0.25 1.84 0.40 1.20 0.00 0.00 173.24 176.86 2yqi h ILE 37 N 1.43 0.90 -0.37 6.45 1.08 -2.00 -0.43 117.51 124.57 2yqi h ILE 37 Ca -0.47 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 2yqi h ILE 37 Cb 1.18 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 2yqi h ILE 37 CO 0.66 0.17 0.11 1.23 -0.69 0.00 0.00 178.15 179.63 2yqi h GLY 38 N 0.93 0.57 0.56 5.37 0.00 -2.00 -2.01 103.07 106.49 2yqi h GLY 38 Ca 0.49 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2yqi h GLY 38 CO -0.25 0.27 -0.25 -0.55 0.00 0.00 0.00 176.54 175.75 2yqi h ASP 39 N 0.52 -0.60 -0.59 0.19 3.32 -1.47 -2.84 116.42 114.95 2yqi h ASP 39 Ca 0.13 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.29 2yqi h ASP 39 Cb 0.17 0.15 -0.10 0.00 0.22 0.00 0.00 39.33 39.77 2yqi h ASP 39 CO -0.01 -0.19 -0.01 0.58 -1.72 0.00 0.00 179.24 177.89 2yqi h VAL 40 N -1.15 0.51 -0.39 -1.35 2.07 -1.42 -1.14 116.25 113.37 2yqi h VAL 40 Ca -0.07 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2yqi h VAL 40 Cb 0.57 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 2yqi h VAL 40 CO 0.12 0.02 -0.12 0.00 0.02 0.00 0.00 177.57 177.61 2yqi h ALA 41 N 1.54 0.23 -0.30 1.67 0.00 -1.43 0.38 119.26 121.35 2yqi h ALA 41 Ca 0.31 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.42 2yqi h ALA 41 Cb 0.49 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2yqi h ALA 41 CO -0.51 -0.48 -0.00 -0.22 0.00 0.00 0.00 179.25 178.04 2yqi h LYS 42 N -0.03 0.08 0.79 0.00 3.64 -0.97 -2.12 116.57 117.97 2yqi h LYS 42 Ca 0.19 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2yqi h LYS 42 Cb 0.32 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2yqi h LYS 42 CO -0.42 0.05 -0.47 0.87 -2.27 0.00 0.00 179.45 177.22 2yqi h LYS 43 N 0.08 -1.13 -0.53 1.90 1.57 -0.63 -3.09 116.57 114.74 2yqi h LYS 43 Ca 0.14 0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 2yqi h LYS 43 Cb 0.19 0.26 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 2yqi h LYS 43 CO -0.24 -0.76 -0.38 -0.07 -0.57 0.00 0.00 179.45 177.43 2yqi h LEU 44 N -1.18 -1.36 -0.90 2.94 3.38 -0.79 0.31 115.31 117.71 2yqi h LEU 44 Ca -0.11 0.20 0.34 0.00 0.09 0.00 0.00 57.88 58.40 2yqi h LEU 44 Cb 0.94 0.59 -0.16 0.00 0.09 0.00 0.00 40.66 42.11 2yqi h LEU 44 CO 0.12 -0.19 0.35 0.61 0.09 0.00 0.00 178.44 179.42 2yqi n GLY 45 N -1.19 -0.83 0.12 0.83 0.00 -0.81 -0.03 105.19 103.28 2yqi n GLY 45 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.18 -0.67 1.61 4.39 -0.42 -3.05 114.58 116.26 2yqi h GLU 46 Ca 0.70 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.61 2yqi h GLU 46 Cb 1.76 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.42 2yqi h GLU 46 CO -0.74 0.26 0.53 0.52 -1.16 0.00 0.00 179.01 178.42 2yqi h MET 47 N -0.89 0.00 0.33 2.33 2.86 0.14 -1.02 114.93 118.68 2yqi h MET 47 Ca -0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2yqi h MET 47 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2yqi h MET 47 CO 0.03 0.00 -0.16 2.35 1.06 0.00 0.00 176.91 180.19 2yqi h TRP 48 N 0.00 -0.41 -0.04 -0.22 2.91 -0.46 -2.82 115.95 114.91 2yqi h TRP 48 Ca 0.32 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.34 2yqi h TRP 48 Cb 1.37 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 30.15 2yqi h TRP 48 CO 0.00 -0.07 0.03 -0.97 -1.03 0.00 0.00 178.44 176.40 2yqi h ASN 49 N -0.88 0.00 -0.34 2.65 -1.24 -1.19 -1.45 115.58 113.12 2yqi h ASN 49 Ca -0.05 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.89 2yqi h ASN 49 Cb 0.53 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.56 2yqi h ASN 49 CO 0.07 0.00 -0.05 0.78 -1.29 0.00 0.00 177.43 176.94 2yqi h ASN 50 N 0.00 0.72 -2.75 1.15 2.35 -1.18 -3.44 115.58 112.43 2yqi h ASN 50 Ca 0.02 -0.19 -0.49 0.00 -0.55 0.00 0.00 56.30 55.09 2yqi h ASN 50 Cb 0.07 -0.19 0.23 0.00 0.05 0.00 0.00 38.32 38.48 2yqi h ASN 50 CO -0.00 0.82 -0.92 0.18 -1.65 0.00 0.00 177.43 175.86 2yqi n LEU 51 N -4.20 -1.53 -4.69 1.61 4.77 -0.55 -5.01 117.00 107.40 2yqi n LEU 51 Ca 0.02 0.08 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 2yqi n LEU 51 Cb 0.32 -1.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 2yqi n LEU 51 CO 0.42 -3.40 -0.31 0.21 -1.33 0.00 0.00 177.39 172.98 2yqi s ASN 52 N -1.88 4.94 0.61 -1.43 2.47 -1.26 -4.97 114.94 113.42 2yqi s ASN 52 Ca 0.55 -0.31 0.26 0.00 0.42 0.00 0.00 52.86 53.79 2yqi s ASN 52 Cb -0.15 -1.12 1.18 0.00 -1.45 0.00 0.00 41.25 39.71 2yqi s ASN 52 CO 0.67 0.10 1.61 -0.78 -3.72 0.00 0.00 177.10 174.99 2yqi h ASP 53 N 2.81 0.00 0.81 -4.21 3.58 -1.97 1.22 116.42 118.66 2yqi h ASP 53 Ca -0.47 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 56.73 2yqi h ASP 53 Cb 1.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2yqi h ASP 53 CO 0.59 0.00 -1.18 0.28 -2.88 0.00 0.00 179.24 176.05 2yqi h SER 54 N 0.00 0.13 0.53 2.28 0.02 -2.00 -2.87 113.55 111.64 2yqi h SER 54 Ca 0.27 -0.15 -0.22 0.00 -0.84 0.00 0.00 61.79 60.85 2yqi h SER 54 Cb 1.82 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.31 2yqi h SER 54 CO -0.00 1.12 -0.97 -0.33 -1.14 0.00 0.00 176.83 175.51 2yqi h GLU 55 N 0.02 0.27 0.00 3.45 4.39 0.11 -3.17 114.58 119.65 2yqi h GLU 55 Ca -0.09 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 2yqi h GLU 55 Cb 1.87 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.61 2yqi h GLU 55 CO 0.14 1.05 -0.02 0.87 -1.16 0.00 0.00 179.01 179.90 2yqi h LYS 56 N 0.14 0.00 -0.42 2.33 1.57 -1.29 -3.34 116.57 115.56 2yqi h LYS 56 Ca -0.07 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2yqi h LYS 56 Cb 1.62 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.84 2yqi h LYS 56 CO 0.16 0.02 -0.49 1.96 -0.57 0.00 0.00 179.45 180.52 2yqi h GLN 57 N 0.00 -0.34 0.00 3.15 1.08 -1.47 0.78 115.11 118.31 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 0.91 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2yqi h GLN 57 CO 0.00 -0.23 0.00 -0.35 -0.95 0.00 0.00 178.83 177.30 2yqi n PRO 58 N -5.40 0.02 -0.05 1.46 -0.04 -1.25 -1.73 135.00 128.01 2yqi n PRO 58 Ca -0.02 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2yqi n PRO 58 Cb 0.35 -1.50 -0.15 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 -1.48 0.48 0.08 0.54 4.01 0.14 -3.77 117.16 117.16 2yqi n TYR 59 Ca 0.04 0.17 -0.23 0.00 -0.16 0.00 0.00 57.90 57.72 2yqi n TYR 59 Cb 0.16 -1.06 -0.15 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 0.98 -0.76 -0.72 2.04 0.66 -3.29 117.51 116.42 2yqi h ILE 60 Ca -0.39 -2.55 -0.05 0.00 1.00 0.00 0.00 64.86 62.87 2yqi h ILE 60 Cb 2.05 2.79 -0.03 0.00 -0.74 0.00 0.00 36.82 40.88 2yqi h ILE 60 CO 0.05 0.85 0.27 0.74 0.00 0.00 0.00 178.15 180.07 2yqi h THR 61 N 0.11 1.26 -0.94 -0.27 2.02 -1.54 -2.58 112.91 110.96 2yqi h THR 61 Ca -0.33 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.99 2yqi h THR 61 Cb 2.11 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 2yqi h THR 61 CO 0.19 0.34 0.57 0.50 0.37 0.00 0.00 175.52 177.50 2yqi h LYS 62 N 1.12 1.28 0.00 6.66 3.64 -1.70 -1.83 116.57 125.74 2yqi h LYS 62 Ca 0.25 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2yqi h LYS 62 Cb 0.26 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2yqi h LYS 62 CO -0.02 0.89 -0.32 0.00 -2.27 0.00 0.00 179.45 177.74 2yqi h ALA 63 N 1.32 1.41 -0.57 5.00 0.00 -1.55 -2.73 119.26 122.14 2yqi h ALA 63 Ca 0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2yqi h ALA 63 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2yqi h ALA 63 CO -0.06 0.40 0.15 0.00 0.00 0.00 0.00 179.25 179.73 2yqi h ALA 64 N 1.68 1.19 -0.07 0.00 0.00 -0.96 -2.36 119.26 118.75 2yqi h ALA 64 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2yqi h ALA 64 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2yqi h ALA 64 CO 0.04 0.56 -0.43 0.87 0.00 0.00 0.00 179.25 180.29 2yqi h LYS 65 N 0.84 0.15 -0.20 0.00 1.79 -1.36 -2.85 116.57 114.94 2yqi h LYS 65 Ca 0.19 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 2yqi h LYS 65 Cb 0.29 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2yqi h LYS 65 CO -0.00 0.56 -0.36 -0.07 -1.08 0.00 0.00 179.45 178.50 2yqi h LEU 66 N 0.13 0.44 0.41 2.94 3.38 -1.37 -2.89 115.31 118.34 2yqi h LEU 66 Ca 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2yqi h LEU 66 Cb 0.81 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2yqi h LEU 66 CO 0.06 0.76 -0.20 0.50 0.09 0.00 0.00 178.44 179.66 2yqi h LYS 67 N 0.36 -0.53 -0.54 1.13 3.64 -1.25 0.41 116.57 119.78 2yqi h LYS 67 Ca 0.04 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 2yqi h LYS 67 Cb 0.80 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2yqi h LYS 67 CO 0.06 -0.23 0.47 1.05 -2.27 0.00 0.00 179.45 178.54 2yqi h GLU 68 N -0.86 0.00 0.01 1.90 4.11 -1.55 0.25 114.58 118.45 2yqi h GLU 68 Ca -0.06 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.12 2yqi h GLU 68 Cb 0.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2yqi h GLU 68 CO 0.09 0.00 -1.38 -0.22 0.07 0.00 0.00 179.01 177.57 2yqi h LYS 69 N 0.00 0.03 -0.46 1.06 3.64 -1.30 -3.30 116.57 116.24 2yqi h LYS 69 Ca 0.26 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2yqi h LYS 69 Cb 1.19 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2yqi h LYS 69 CO -0.00 0.78 -0.14 -0.92 -2.27 0.00 0.00 179.45 176.90 2yqi h TYR 70 N 0.01 0.97 -0.09 1.91 3.20 0.17 -3.12 116.97 120.01 2yqi h TYR 70 Ca -0.16 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.51 2yqi h TYR 70 Cb 1.91 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.93 2yqi h TYR 70 CO 0.01 0.95 0.05 0.93 -1.64 0.00 0.00 178.16 178.45 2yqi h GLU 71 N 0.77 0.13 -0.83 1.82 5.08 -1.43 0.28 114.58 120.40 2yqi h GLU 71 Ca 0.12 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.65 2yqi h GLU 71 Cb 0.66 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.77 2yqi h GLU 71 CO 0.05 0.20 0.32 0.87 -1.00 0.00 0.00 179.01 179.44 2yqi h LYS 72 N 0.04 0.37 0.12 2.33 1.57 -1.62 0.17 116.57 119.54 2yqi h LYS 72 Ca 0.03 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.50 2yqi h LYS 72 Cb 0.11 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.36 2yqi h LYS 72 CO -0.00 0.24 -1.22 -0.44 -0.57 0.00 0.00 179.45 177.45 2yqi h ASP 73 N 0.38 0.71 -0.38 0.86 5.19 -1.45 -2.86 116.42 118.87 2yqi h ASP 73 Ca 0.49 -0.68 0.04 0.00 -0.62 0.00 0.00 57.03 56.26 2yqi h ASP 73 Cb 0.88 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 2yqi h ASP 73 CO -0.50 1.50 0.16 0.58 -3.12 0.00 0.00 179.24 177.85 2yqi h VAL 74 N 0.21 0.93 0.39 -1.35 2.07 0.12 0.20 116.25 118.82 2yqi h VAL 74 Ca -0.17 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2yqi h VAL 74 Cb 1.90 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2yqi h VAL 74 CO 0.22 0.06 -0.19 0.00 0.02 0.00 0.00 177.57 177.68 2yqi h ALA 75 N 1.22 -0.53 -0.75 1.67 0.00 -0.84 -3.19 119.26 116.85 2yqi h ALA 75 Ca 0.17 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.05 2yqi h ALA 75 Cb 0.12 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 2yqi h ALA 75 CO -0.15 -0.63 0.20 -0.44 0.00 0.00 0.00 179.25 178.24 2yqi h ASP 76 N -0.87 0.06 -1.03 0.00 3.32 -1.42 0.29 116.42 116.78 2yqi h ASP 76 Ca -0.05 0.14 0.28 0.00 0.02 0.00 0.00 57.03 57.42 2yqi h ASP 76 Cb 0.55 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 2yqi h ASP 76 CO 0.09 -0.02 0.71 0.22 -1.72 0.00 0.00 179.24 178.52 2yqi h TYR 77 N 0.30 0.29 0.00 4.55 5.03 -0.94 -1.57 116.97 124.62 2yqi h TYR 77 Ca 0.42 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.65 2yqi h TYR 77 Cb 0.72 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 2yqi h TYR 77 CO -0.24 0.04 -0.48 -0.22 -1.32 0.00 0.00 178.16 175.93 2yqi h LYS 78 N 0.18 0.00 -0.83 1.82 3.64 -0.49 -3.38 116.57 117.51 2yqi h LYS 78 Ca 0.53 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.99 2yqi h LYS 78 Cb 1.74 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.46 2yqi h LYS 78 CO -0.13 0.96 -0.48 0.43 -2.27 0.00 0.00 179.45 177.96 2yqi n SER 79 N -4.55 -0.86 -4.74 4.20 7.64 -0.52 -4.39 113.62 110.40 2yqi n SER 79 Ca -0.18 1.48 -0.35 0.00 1.01 0.00 0.00 58.87 60.82 2yqi n SER 79 Cb 0.54 -0.20 0.06 0.00 -1.01 0.00 0.00 64.21 63.60 2yqi n SER 79 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2yqi s LYS 80 N -5.44 2.62 0.00 1.43 0.00 -1.04 -5.11 119.74 112.19 2yqi s LYS 80 Ca -0.10 1.82 0.00 0.00 0.00 0.00 0.00 55.97 57.69 2yqi s LYS 80 Cb 0.10 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 36.04 2yqi s LYS 80 CO 0.52 -1.48 0.00 0.41 0.00 0.00 0.00 175.35 174.80