#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 2.33 -0.04 1.61 1.04 -1.26 -5.13 113.70 112.26 2yqi s SER 2 Ca 0.00 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.13 2yqi s SER 2 Cb 0.00 -0.95 -0.01 0.00 0.10 0.00 0.00 66.02 65.16 2yqi s SER 2 CO 0.00 -0.10 -0.21 -0.94 0.98 0.00 0.00 173.24 172.98 2yqi s SER 3 N 1.61 2.56 -0.31 7.02 1.04 -1.26 -5.02 113.70 119.34 2yqi s SER 3 Ca 0.05 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.08 2yqi s SER 3 Cb -0.13 -0.58 0.12 0.00 0.10 0.00 0.00 66.02 65.54 2yqi s SER 3 CO -0.09 0.22 1.15 0.61 0.98 0.00 0.00 173.24 176.11 2yqi n GLY 4 N 2.90 -1.13 3.54 7.32 0.00 -1.26 -5.17 105.19 111.41 2yqi n GLY 4 Ca -0.17 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.10 -0.37 0.07 1.61 1.04 -1.26 -5.13 113.70 109.56 2yqi s SER 5 Ca 0.08 -0.09 -0.33 0.00 0.48 0.00 0.00 55.95 56.09 2yqi s SER 5 Cb 0.12 0.45 -0.18 0.00 0.10 0.00 0.00 66.02 66.51 2yqi s SER 5 CO -0.07 -0.76 0.80 -1.54 0.98 0.00 0.00 173.24 172.66 2yqi n SER 6 N -0.31 -0.45 0.00 7.02 3.41 -1.26 -4.70 113.62 117.32 2yqi n SER 6 Ca -0.10 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2yqi n SER 6 Cb 0.62 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2yqi n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yqi n GLY 7 N 1.58 -1.80 3.80 5.00 0.00 -1.26 -5.14 105.19 107.36 2yqi n GLY 7 Ca 0.18 0.81 -0.34 0.00 0.00 0.00 0.00 46.02 46.66 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 2.00 5.83 0.81 1.61 -0.87 -1.26 -5.09 114.94 117.98 2yqi s ASN 8 Ca 0.00 0.24 -0.14 0.00 -1.57 0.00 0.00 52.86 51.39 2yqi s ASN 8 Cb 0.00 -1.74 0.03 0.00 -0.02 0.00 0.00 41.25 39.52 2yqi s ASN 8 CO 0.00 0.32 0.79 0.00 -2.57 0.00 0.00 177.10 175.64 2yqi n ALA 9 N 1.51 -1.14 -2.18 0.60 0.00 -1.26 -4.91 120.51 113.14 2yqi n ALA 9 Ca -0.15 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 2yqi n ALA 9 Cb 0.53 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 2yqi n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yqi s PRO 10 N -3.55 4.34 0.69 0.00 0.04 -1.26 -5.02 135.00 130.25 2yqi s PRO 10 Ca 0.67 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.63 2yqi s PRO 10 Cb -0.29 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.00 2yqi s PRO 10 CO 0.57 -0.39 1.07 -1.59 0.04 0.00 0.00 177.00 176.70 2yqi s LYS 11 N 0.93 3.00 0.42 4.56 -2.85 -1.26 -5.00 119.74 119.54 2yqi s LYS 11 Ca 0.63 0.70 -0.26 0.00 -1.00 0.00 0.00 55.97 56.03 2yqi s LYS 11 Cb -0.36 -2.02 -0.10 0.00 -2.06 0.00 0.00 37.83 33.30 2yqi s LYS 11 CO 0.31 -0.99 1.42 0.54 0.10 0.00 0.00 175.35 176.73 2yqi n ARG 12 N -3.02 2.34 -2.26 1.78 1.74 -1.26 -4.96 116.66 111.02 2yqi n ARG 12 Ca 0.07 0.83 -0.37 0.00 -0.77 0.00 0.00 57.85 57.60 2yqi n ARG 12 Cb 0.55 -2.59 -0.01 0.00 -1.02 0.00 0.00 32.46 29.39 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 -2.26 3.76 1.09 5.56 0.04 -1.26 -5.03 135.00 136.89 2yqi s PRO 13 Ca 0.58 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 2yqi s PRO 13 Cb -0.47 -2.41 0.23 0.00 0.04 0.00 0.00 34.50 31.89 2yqi s PRO 13 CO 0.60 -0.55 1.10 -1.25 0.04 0.00 0.00 177.00 176.94 2yqi s PRO 14 N -2.69 -0.28 0.29 0.56 0.04 -1.26 -4.98 135.00 126.68 2yqi s PRO 14 Ca 0.63 0.28 0.11 0.00 0.04 0.00 0.00 61.00 62.07 2yqi s PRO 14 Cb -0.29 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2yqi s PRO 14 CO 0.35 -3.15 -0.17 0.45 0.04 0.00 0.00 177.00 174.52 2yqi s SER 15 N -3.61 3.69 0.42 6.66 0.15 -1.26 -4.85 113.70 114.89 2yqi s SER 15 Ca 0.68 -1.03 0.28 0.00 0.70 0.00 0.00 55.95 56.57 2yqi s SER 15 Cb -0.15 -0.35 1.40 0.00 -1.71 0.00 0.00 66.02 65.21 2yqi s SER 15 CO 0.57 -0.01 1.61 1.23 1.20 0.00 0.00 173.24 177.84 2yqi h GLY 16 N 2.19 1.52 1.37 9.45 0.00 -1.87 1.34 103.07 117.07 2yqi h GLY 16 Ca -0.41 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 2yqi h GLY 16 CO 0.62 -0.49 -0.20 -2.75 0.00 0.00 0.00 176.54 173.72 2yqi h PHE 17 N 0.07 0.82 0.06 5.60 3.57 -1.95 -3.06 116.94 122.05 2yqi h PHE 17 Ca 0.83 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 62.15 2yqi h PHE 17 Cb 2.52 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 41.06 2yqi h PHE 17 CO -0.01 0.87 -0.03 0.35 -2.23 0.00 0.00 178.31 177.27 2yqi h PHE 18 N 0.65 -0.08 -1.16 0.41 3.04 0.13 -2.52 116.94 117.41 2yqi h PHE 18 Ca 0.10 -0.00 0.38 0.00 3.98 0.00 0.00 57.97 62.43 2yqi h PHE 18 Cb 0.69 0.02 -0.14 0.00 2.56 0.00 0.00 35.95 39.09 2yqi h PHE 18 CO 0.03 0.52 0.72 -0.07 -2.02 0.00 0.00 178.31 177.49 2yqi h LEU 19 N -0.79 0.35 0.08 0.59 4.07 -1.09 1.07 115.31 119.60 2yqi h LEU 19 Ca -0.01 0.16 -0.26 0.00 0.08 0.00 0.00 57.88 57.85 2yqi h LEU 19 Cb 0.63 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2yqi h LEU 19 CO 0.01 -0.16 -1.20 0.15 -1.08 0.00 0.00 178.44 176.16 2yqi h PHE 20 N 0.18 0.32 -0.55 1.13 3.04 -1.57 -2.25 116.94 117.25 2yqi h PHE 20 Ca 0.77 -0.23 -0.10 0.00 3.98 0.00 0.00 57.97 62.38 2yqi h PHE 20 Cb 2.16 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 40.64 2yqi h PHE 20 CO -0.01 1.19 -0.07 0.00 -2.02 0.00 0.00 178.31 177.41 2yqi h SER 22 N 0.90 0.00 -0.09 0.00 0.87 -0.77 -1.63 113.55 112.84 2yqi h SER 22 Ca 0.15 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.50 2yqi h SER 22 Cb 0.62 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2yqi h SER 22 CO 0.04 0.36 -0.76 -0.08 -0.53 0.00 0.00 176.83 175.87 2yqi h GLU 23 N 0.00 0.68 0.00 2.24 4.22 -1.19 -3.24 114.58 117.29 2yqi h GLU 23 Ca -0.03 -0.60 0.00 0.00 0.08 0.00 0.00 59.36 58.81 2yqi h GLU 23 Cb 1.30 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2yqi h GLU 23 CO 0.04 1.21 -0.66 1.19 -2.18 0.00 0.00 179.01 178.62 2yqi n PHE 24 N -4.02 0.31 -0.24 0.92 3.01 -0.54 -4.17 117.46 112.73 2yqi n PHE 24 Ca -0.09 0.09 0.04 0.00 1.01 0.00 0.00 57.45 58.51 2yqi n PHE 24 Cb 0.74 -0.48 0.16 0.00 -0.01 0.00 0.00 39.48 39.89 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 0.24 -0.35 -1.08 2.43 -1.31 -2.15 114.38 112.16 2yqi h ARG 25 Ca 0.00 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2yqi h ARG 25 Cb 0.66 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.07 2yqi h ARG 25 CO 0.00 0.16 -0.39 -1.35 -1.51 0.00 0.00 179.97 176.88 2yqi h PRO 26 N 0.25 -0.32 0.37 0.20 0.11 -1.73 0.51 132.00 131.39 2yqi h PRO 26 Ca 0.39 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 2yqi h PRO 26 Cb 0.66 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 2yqi h PRO 26 CO -0.50 -0.22 -0.45 0.87 -0.21 0.00 0.00 178.00 177.49 2yqi h LYS 27 N -0.34 -0.83 -0.87 1.05 1.57 -1.67 0.19 116.57 115.68 2yqi h LYS 27 Ca 0.14 0.06 0.20 0.00 -1.87 0.00 0.00 60.65 59.17 2yqi h LYS 27 Cb 0.58 0.19 -0.12 0.00 0.08 0.00 0.00 32.23 32.96 2yqi h LYS 27 CO -0.53 -0.55 0.36 0.82 -0.57 0.00 0.00 179.45 178.98 2yqi h ILE 28 N -0.86 0.51 0.00 1.86 2.04 -1.14 1.55 117.51 121.47 2yqi h ILE 28 Ca -0.03 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2yqi h ILE 28 Cb 0.78 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2yqi h ILE 28 CO -0.11 0.07 -0.03 0.11 0.00 0.00 0.00 178.15 178.19 2yqi h LYS 29 N 0.41 0.00 0.00 2.37 1.57 -0.31 0.98 116.57 121.59 2yqi h LYS 29 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2yqi h LYS 29 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2yqi h LYS 29 CO -0.50 0.03 -1.40 0.45 -0.57 0.00 0.00 179.45 177.46 2yqi n SER 30 N -3.13 0.47 -0.09 0.86 2.88 0.28 -4.41 113.62 110.48 2yqi n SER 30 Ca 0.01 -0.22 -0.21 0.00 -1.33 0.00 0.00 58.87 57.13 2yqi n SER 30 Cb 0.38 1.27 -0.12 0.00 -0.75 0.00 0.00 64.21 64.98 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 -2.07 1.59 -3.24 2.46 -2.24 0.46 -4.91 114.28 106.33 2yqi n THR 31 Ca -0.00 -0.53 -0.38 0.00 -2.27 0.00 0.00 64.05 60.86 2yqi n THR 31 Cb 0.48 -1.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.03 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 -6.84 6.75 0.12 3.42 0.01 0.32 -5.04 114.94 113.68 2yqi s ASN 32 Ca -0.31 0.89 -0.31 0.00 -0.71 0.00 0.00 52.86 52.42 2yqi s ASN 32 Cb 0.09 -2.32 -0.08 0.00 0.41 0.00 0.00 41.25 39.35 2yqi s ASN 32 CO 0.64 -0.05 1.36 -2.16 -1.51 0.00 0.00 177.10 175.37 2yqi s PRO 33 N 0.79 4.34 -1.51 -0.60 0.04 -1.26 -3.51 135.00 133.30 2yqi s PRO 33 Ca 0.29 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 2yqi s PRO 33 Cb -0.16 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.20 2yqi s PRO 33 CO 0.12 -0.39 0.18 0.41 0.04 0.00 0.00 177.00 177.36 2yqi n GLY 34 N 3.31 -0.19 3.72 0.56 0.00 -1.26 -4.83 105.19 106.50 2yqi n GLY 34 Ca 0.10 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.85 3.75 0.23 -0.61 2.07 -1.23 -5.02 121.20 116.54 2yqi s ILE 35 Ca 0.25 1.31 -0.16 0.00 -1.41 0.00 0.00 60.65 60.64 2yqi s ILE 35 Cb -0.15 -3.84 -0.08 0.00 0.13 0.00 0.00 42.46 38.53 2yqi s ILE 35 CO 0.92 0.13 0.67 -0.55 -1.91 0.00 0.00 174.94 174.19 2yqi s SER 36 N 0.82 6.88 0.16 4.50 0.15 -1.26 -4.93 113.70 120.02 2yqi s SER 36 Ca 0.58 1.25 -0.18 0.00 0.70 0.00 0.00 55.95 58.30 2yqi s SER 36 Cb -0.32 -2.36 0.09 0.00 -1.71 0.00 0.00 66.02 61.72 2yqi s SER 36 CO 0.31 -0.02 1.24 -0.38 1.20 0.00 0.00 173.24 175.59 2yqi n ILE 37 N 0.37 -0.47 -0.22 6.45 -0.00 -1.26 -0.18 119.36 124.05 2yqi n ILE 37 Ca -0.01 1.90 -0.08 0.00 -0.00 0.00 0.00 62.75 64.55 2yqi n ILE 37 Cb 0.52 -2.44 -0.04 0.00 -0.00 0.00 0.00 39.64 37.68 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 -0.49 -0.42 7.39 0.00 -1.99 0.12 103.07 107.67 2yqi h GLY 38 Ca 0.22 0.59 0.05 0.00 0.00 0.00 0.00 47.33 48.18 2yqi h GLY 38 CO -0.78 -0.15 -0.55 -0.55 0.00 0.00 0.00 176.54 174.52 2yqi h ASP 39 N -0.21 -1.85 -0.52 0.19 5.19 -0.95 -0.59 116.42 117.68 2yqi h ASP 39 Ca 0.18 0.25 0.10 0.00 -0.62 0.00 0.00 57.03 56.93 2yqi h ASP 39 Cb 0.56 0.76 -0.08 0.00 0.18 0.00 0.00 39.33 40.75 2yqi h ASP 39 CO -0.71 -0.40 0.06 0.58 -3.12 0.00 0.00 179.24 175.65 2yqi h VAL 40 N -0.38 0.65 -0.45 -1.35 2.07 -1.06 -1.84 116.25 113.90 2yqi h VAL 40 Ca 0.08 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2yqi h VAL 40 Cb 0.59 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 2yqi h VAL 40 CO -0.61 0.03 -0.16 0.00 0.02 0.00 0.00 177.57 176.85 2yqi h ALA 41 N 1.44 0.20 -0.26 1.67 0.00 0.46 0.15 119.26 122.92 2yqi h ALA 41 Ca 0.27 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.40 2yqi h ALA 41 Cb 0.39 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2yqi h ALA 41 CO -0.39 -0.50 -0.09 -0.22 0.00 0.00 0.00 179.25 178.05 2yqi h LYS 42 N -0.07 -0.04 0.83 0.00 3.64 -0.39 -2.18 116.57 118.36 2yqi h LYS 42 Ca 0.22 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2yqi h LYS 42 Cb 0.40 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2yqi h LYS 42 CO -0.49 -0.03 -0.41 0.87 -2.27 0.00 0.00 179.45 177.11 2yqi h LYS 43 N -0.04 -1.09 -0.97 1.90 1.57 -0.86 -3.05 116.57 114.02 2yqi h LYS 43 Ca 0.13 0.07 0.15 0.00 -1.87 0.00 0.00 60.65 59.13 2yqi h LYS 43 Cb 0.24 0.25 -0.15 0.00 0.08 0.00 0.00 32.23 32.64 2yqi h LYS 43 CO -0.29 -0.73 -0.39 1.28 -0.57 0.00 0.00 179.45 178.75 2yqi n LEU 44 N -5.58 -0.65 -0.34 2.94 4.77 0.45 0.11 117.00 118.70 2yqi n LEU 44 Ca -0.15 1.70 0.19 0.00 -0.03 0.00 0.00 56.01 57.71 2yqi n LEU 44 Cb 0.46 -0.38 0.42 0.00 -2.33 0.00 0.00 43.42 41.58 2yqi n LEU 44 CO 0.39 -1.52 1.18 1.23 -1.33 0.00 0.00 177.39 177.34 2yqi h GLY 45 N 0.00 1.67 0.58 -0.72 0.00 -1.29 0.12 103.07 103.42 2yqi h GLY 45 Ca 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2yqi h GLY 45 CO -0.96 -0.18 -0.13 0.83 0.00 0.00 0.00 176.54 176.09 2yqi h GLU 46 N 0.55 -0.35 -0.76 4.80 5.08 0.90 -2.45 114.58 122.35 2yqi h GLU 46 Ca 0.62 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 59.10 2yqi h GLU 46 Cb 1.27 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 2yqi h GLU 46 CO -0.40 -0.01 0.40 0.52 -1.00 0.00 0.00 179.01 178.51 2yqi h MET 47 N -0.79 0.64 0.48 2.33 2.86 -0.43 0.57 114.93 120.60 2yqi h MET 47 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2yqi h MET 47 Cb 0.51 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2yqi h MET 47 CO 0.06 0.43 -0.34 2.35 1.06 0.00 0.00 176.91 180.46 2yqi h TRP 48 N 0.66 -0.92 0.00 -0.22 -0.00 -0.82 0.23 115.95 114.89 2yqi h TRP 48 Ca 0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.26 2yqi h TRP 48 Cb 0.39 0.34 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 2yqi h TRP 48 CO -0.09 -0.51 0.00 -0.97 -0.00 0.00 0.00 178.44 176.87 2yqi h ASN 49 N -0.81 0.00 0.68 2.65 -1.24 -1.04 -1.84 115.58 113.98 2yqi h ASN 49 Ca -0.05 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.69 2yqi h ASN 49 Cb 0.68 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 2yqi h ASN 49 CO 0.02 0.00 -1.28 0.78 -1.29 0.00 0.00 177.43 175.66 2yqi h ASN 50 N 0.00 0.26 -3.65 1.15 2.35 0.16 -3.47 115.58 112.38 2yqi h ASN 50 Ca 0.00 -0.31 -0.52 0.00 -0.55 0.00 0.00 56.30 54.92 2yqi h ASN 50 Cb 0.18 -0.09 0.21 0.00 0.05 0.00 0.00 38.32 38.67 2yqi h ASN 50 CO 0.00 1.25 -0.30 0.18 -1.65 0.00 0.00 177.43 176.91 2yqi n LEU 51 N -3.42 0.88 -4.89 1.61 4.77 -0.03 -5.01 117.00 110.91 2yqi n LEU 51 Ca -0.09 0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 55.94 2yqi n LEU 51 Cb 1.01 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 2yqi n LEU 51 CO 0.50 -3.10 -0.15 0.20 -1.33 0.00 0.00 177.39 173.51 2yqi s ASN 52 N -2.24 6.12 0.40 -1.43 0.01 -1.26 -4.95 114.94 111.59 2yqi s ASN 52 Ca 0.61 0.14 0.22 0.00 -0.71 0.00 0.00 52.86 53.11 2yqi s ASN 52 Cb -0.22 -1.80 1.22 0.00 0.41 0.00 0.00 41.25 40.87 2yqi s ASN 52 CO 0.64 0.11 1.69 -2.24 -1.51 0.00 0.00 177.10 175.79 2yqi h ASP 53 N 2.65 0.38 0.60 -1.22 2.03 -1.98 1.29 116.42 120.18 2yqi h ASP 53 Ca -0.47 0.13 -0.12 0.00 -0.73 0.00 0.00 57.03 55.84 2yqi h ASP 53 Cb 1.18 0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.74 2yqi h ASP 53 CO 0.70 -0.06 -0.56 -1.28 -1.03 0.00 0.00 179.24 177.00 2yqi h SER 54 N 0.26 0.00 0.43 4.15 0.87 -2.00 -1.86 113.55 115.40 2yqi h SER 54 Ca 0.71 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 61.05 2yqi h SER 54 Cb 1.94 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.90 2yqi h SER 54 CO -0.41 0.56 -0.94 -0.33 -0.53 0.00 0.00 176.83 175.18 2yqi h GLU 55 N 0.00 0.33 0.00 2.24 4.39 0.12 -3.17 114.58 118.49 2yqi h GLU 55 Ca -0.01 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 2yqi h GLU 55 Cb 1.02 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2yqi h GLU 55 CO 0.07 1.07 -0.03 0.87 -1.16 0.00 0.00 179.01 179.83 2yqi h LYS 56 N 0.18 0.00 -0.50 2.33 1.57 -0.99 -3.34 116.57 115.82 2yqi h LYS 56 Ca -0.07 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2yqi h LYS 56 Cb 1.58 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.80 2yqi h LYS 56 CO 0.16 0.03 -0.50 1.96 -0.57 0.00 0.00 179.45 180.53 2yqi h GLN 57 N 0.00 -0.29 0.00 3.15 1.08 -1.31 0.66 115.11 118.40 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 0.98 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2yqi h GLN 57 CO 0.00 -0.20 0.00 -0.35 -0.95 0.00 0.00 178.83 177.34 2yqi n PRO 58 N -5.39 0.06 -0.04 1.46 -0.04 -1.25 -2.06 135.00 127.74 2yqi n PRO 58 Ca -0.01 0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 2yqi n PRO 58 Cb 0.34 -1.50 -0.14 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 -1.44 0.47 0.04 0.54 4.01 0.18 -3.93 117.16 117.03 2yqi n TYR 59 Ca 0.04 0.16 -0.13 0.00 -0.16 0.00 0.00 57.90 57.82 2yqi n TYR 59 Cb 0.15 -1.01 -0.14 0.00 -0.31 0.00 0.00 39.34 38.04 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 1.17 -0.70 -0.72 2.04 0.35 -3.26 117.51 116.39 2yqi h ILE 60 Ca -0.33 -2.88 -0.07 0.00 1.00 0.00 0.00 64.86 62.57 2yqi h ILE 60 Cb 1.90 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 40.63 2yqi h ILE 60 CO 0.04 0.77 0.15 0.74 0.00 0.00 0.00 178.15 179.85 2yqi h THR 61 N 0.04 1.26 0.02 -0.27 2.02 -1.60 -2.55 112.91 111.83 2yqi h THR 61 Ca -0.21 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 2yqi h THR 61 Cb 1.97 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2yqi h THR 61 CO 0.13 0.38 -0.01 0.50 0.37 0.00 0.00 175.52 176.90 2yqi h LYS 62 N 1.07 -0.03 -0.94 6.66 3.64 -1.69 -2.96 116.57 122.32 2yqi h LYS 62 Ca 0.22 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.74 2yqi h LYS 62 Cb 0.40 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 2yqi h LYS 62 CO 0.01 0.18 0.56 0.00 -2.27 0.00 0.00 179.45 177.92 2yqi h ALA 63 N 0.73 1.44 -0.76 5.00 0.00 -1.58 0.44 119.26 124.53 2yqi h ALA 63 Ca -0.00 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2yqi h ALA 63 Cb 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2yqi h ALA 63 CO 0.01 0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.85 2yqi h ALA 64 N 1.55 2.23 -0.01 0.00 0.00 -1.29 0.21 119.26 121.95 2yqi h ALA 64 Ca 0.49 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 2yqi h ALA 64 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2yqi h ALA 64 CO -0.31 -0.44 -0.51 0.87 0.00 0.00 0.00 179.25 178.86 2yqi h LYS 65 N 0.33 0.03 -0.08 0.00 1.79 -0.89 -2.61 116.57 115.14 2yqi h LYS 65 Ca 0.37 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.67 2yqi h LYS 65 Cb 0.98 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2yqi h LYS 65 CO -0.11 0.54 -0.63 -0.07 -1.08 0.00 0.00 179.45 178.10 2yqi h LEU 66 N 0.02 0.32 0.23 2.94 -0.00 -0.52 -2.80 115.31 115.51 2yqi h LEU 66 Ca -0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.68 2yqi h LEU 66 Cb 0.92 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2yqi h LEU 66 CO 0.07 0.86 -0.11 0.50 -0.00 0.00 0.00 178.44 179.76 2yqi h LYS 67 N 0.20 -0.30 -0.90 1.13 3.64 -1.25 -1.22 116.57 117.88 2yqi h LYS 67 Ca -0.01 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.55 2yqi h LYS 67 Cb 1.15 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 2yqi h LYS 67 CO 0.10 0.08 0.49 1.05 -2.27 0.00 0.00 179.45 178.90 2yqi h GLU 68 N -0.84 0.66 -0.33 1.90 4.11 -1.54 0.64 114.58 119.19 2yqi h GLU 68 Ca -0.03 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 2yqi h GLU 68 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2yqi h GLU 68 CO 0.05 0.44 -0.41 0.87 0.07 0.00 0.00 179.01 180.03 2yqi h LYS 69 N 0.68 0.80 -0.40 1.06 1.57 -1.52 -3.00 116.57 115.76 2yqi h LYS 69 Ca 0.50 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2yqi h LYS 69 Cb 0.71 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2yqi h LYS 69 CO -0.36 1.06 0.15 -0.92 -0.57 0.00 0.00 179.45 178.81 2yqi h TYR 70 N 0.65 0.61 -1.00 -1.35 3.20 0.22 -2.65 116.97 116.66 2yqi h TYR 70 Ca 0.05 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2yqi h TYR 70 Cb 0.97 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.99 2yqi h TYR 70 CO 0.05 0.55 0.64 0.93 -1.64 0.00 0.00 178.16 178.70 2yqi h GLU 71 N 0.50 1.11 0.83 1.82 5.08 -0.94 0.18 114.58 123.16 2yqi h GLU 71 Ca 0.13 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2yqi h GLU 71 Cb 0.20 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2yqi h GLU 71 CO -0.01 0.73 -0.40 -0.22 -1.00 0.00 0.00 179.01 178.11 2yqi h LYS 72 N 1.14 -1.08 -0.57 2.33 3.11 -1.35 0.42 116.57 120.58 2yqi h LYS 72 Ca 0.45 0.07 0.03 0.00 -2.81 0.00 0.00 60.65 58.38 2yqi h LYS 72 Cb 0.23 0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 31.67 2yqi h LYS 72 CO -0.19 -0.71 0.34 -0.44 -2.81 0.00 0.00 179.45 175.64 2yqi h ASP 73 N -1.16 0.56 0.05 4.20 5.19 -1.23 -2.60 116.42 121.42 2yqi h ASP 73 Ca -0.11 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.31 2yqi h ASP 73 Cb 0.86 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 2yqi h ASP 73 CO 0.19 0.39 -0.14 0.58 -3.12 0.00 0.00 179.24 177.14 2yqi h VAL 74 N 0.68 0.68 -0.06 -1.35 2.07 -0.57 0.13 116.25 117.82 2yqi h VAL 74 Ca 0.23 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.77 2yqi h VAL 74 Cb 0.02 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2yqi h VAL 74 CO -0.10 0.00 -0.54 0.00 0.02 0.00 0.00 177.57 176.95 2yqi h ALA 75 N 0.66 -0.92 -0.13 1.67 0.00 -0.66 -0.93 119.26 118.95 2yqi h ALA 75 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2yqi h ALA 75 Cb 0.29 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2yqi h ALA 75 CO -0.10 -1.10 -0.05 -0.44 0.00 0.00 0.00 179.25 177.56 2yqi h ASP 76 N -0.63 -0.16 -0.72 0.00 5.19 -1.36 -0.54 116.42 118.19 2yqi h ASP 76 Ca 0.02 0.05 0.14 0.00 -0.62 0.00 0.00 57.03 56.62 2yqi h ASP 76 Cb 0.71 0.10 -0.14 0.00 0.18 0.00 0.00 39.33 40.18 2yqi h ASP 76 CO -0.39 -0.06 -0.20 0.22 -3.12 0.00 0.00 179.24 175.68 2yqi h TYR 77 N -0.03 -0.45 -0.25 4.55 5.03 -0.24 -0.23 116.97 125.36 2yqi h TYR 77 Ca 0.07 0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.40 2yqi h TYR 77 Cb 0.13 0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 2yqi h TYR 77 CO -0.18 -0.32 -0.03 0.87 -1.32 0.00 0.00 178.16 177.17 2yqi h LYS 78 N -0.02 0.47 -5.62 1.82 1.57 -0.80 -3.39 116.57 110.60 2yqi h LYS 78 Ca 0.34 -0.17 -0.28 0.00 -1.87 0.00 0.00 60.65 58.67 2yqi h LYS 78 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2yqi h LYS 78 CO -0.75 0.67 0.85 0.45 -0.57 0.00 0.00 179.45 180.10 2yqi s SER 79 N -6.02 4.56 0.13 0.86 0.15 -0.10 -4.92 113.70 108.35 2yqi s SER 79 Ca -0.14 0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.83 2yqi s SER 79 Cb 0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2yqi s SER 79 CO 0.76 -3.09 -0.26 -0.54 1.20 0.00 0.00 173.24 171.30 2yqi s LYS 80 N 7.97 1.37 0.00 5.44 1.02 -1.26 -4.87 119.74 129.42 2yqi s LYS 80 Ca 0.84 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2yqi s LYS 80 Cb -0.13 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 2yqi s LYS 80 CO 0.13 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.41