#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 1.59 -0.05 1.61 2.88 -1.26 -4.73 113.62 113.67 2yqi n SER 2 Ca 0.00 -0.59 -0.22 0.00 -1.33 0.00 0.00 58.87 56.73 2yqi n SER 2 Cb 0.00 -1.41 -0.13 0.00 -0.75 0.00 0.00 64.21 61.92 2yqi n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yqi n SER 3 N 14.86 2.04 -0.37 -3.46 2.88 -1.26 -5.07 113.62 123.24 2yqi n SER 3 Ca 0.46 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2yqi n SER 3 Cb 0.40 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2yqi n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqi n GLY 4 N 1.86 0.02 3.23 0.46 0.00 -1.26 -5.14 105.19 104.37 2yqi n GLY 4 Ca -0.35 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.18 1.83 0.10 1.61 0.01 -1.26 -5.16 113.70 110.65 2yqi s SER 5 Ca 0.00 -0.88 -0.09 0.00 1.31 0.00 0.00 55.95 56.29 2yqi s SER 5 Cb 0.00 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.19 2yqi s SER 5 CO 0.00 -0.23 0.20 -0.94 0.41 0.00 0.00 173.24 172.69 2yqi s SER 6 N -2.70 0.11 0.00 2.44 1.04 -1.26 -5.15 113.70 108.17 2yqi s SER 6 Ca 0.11 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2yqi s SER 6 Cb -0.02 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2yqi s SER 6 CO 0.02 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2yqi n GLY 7 N -0.08 4.57 3.57 7.32 0.00 -1.26 -5.01 105.19 114.30 2yqi n GLY 7 Ca -0.14 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2yqi n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yqi s ASN 8 N 0.00 6.72 -0.00 1.61 3.84 -1.26 -4.92 114.94 120.93 2yqi s ASN 8 Ca 0.00 -2.15 0.01 0.00 0.21 0.00 0.00 52.86 50.93 2yqi s ASN 8 Cb 0.00 -2.58 -0.00 0.00 -0.55 0.00 0.00 41.25 38.12 2yqi s ASN 8 CO 0.00 -1.29 -0.02 0.00 -2.79 0.00 0.00 177.10 173.00 2yqi s ALA 9 N 4.54 0.16 0.90 1.71 0.00 -1.26 -5.13 121.76 122.69 2yqi s ALA 9 Ca 0.52 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 2yqi s ALA 9 Cb 0.03 -0.04 0.13 0.00 0.00 0.00 0.00 23.12 23.24 2yqi s ALA 9 CO 0.03 0.04 1.09 -1.25 0.00 0.00 0.00 175.76 175.67 2yqi s PRO 10 N -0.08 1.20 -0.13 0.00 0.04 -1.26 -5.06 135.00 129.71 2yqi s PRO 10 Ca 0.00 0.80 0.02 0.00 0.04 0.00 0.00 61.00 61.86 2yqi s PRO 10 Cb -0.01 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2yqi s PRO 10 CO -0.00 -2.27 -0.19 -1.59 0.04 0.00 0.00 177.00 172.98 2yqi s LYS 11 N -4.94 3.13 0.25 4.56 -2.85 -1.26 -5.09 119.74 113.55 2yqi s LYS 11 Ca 0.64 -0.81 -0.19 0.00 -1.00 0.00 0.00 55.97 54.61 2yqi s LYS 11 Cb -0.18 -2.49 -0.13 0.00 -2.06 0.00 0.00 37.83 32.98 2yqi s LYS 11 CO 0.57 0.07 0.22 0.54 0.10 0.00 0.00 175.35 176.85 2yqi n ARG 12 N 3.86 0.00 -2.26 1.78 1.74 -1.26 -4.86 116.66 115.66 2yqi n ARG 12 Ca -0.19 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.53 2yqi n ARG 12 Cb 0.52 -0.79 -0.00 0.00 -1.02 0.00 0.00 32.46 31.17 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 -0.79 3.50 0.84 5.56 0.04 -1.26 -5.03 135.00 137.87 2yqi s PRO 13 Ca 0.49 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2yqi s PRO 13 Cb -0.61 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 31.88 2yqi s PRO 13 CO 0.47 -0.74 1.09 -1.25 0.04 0.00 0.00 177.00 176.62 2yqi s PRO 14 N -3.07 1.70 0.15 0.56 0.04 -1.26 -5.06 135.00 128.06 2yqi s PRO 14 Ca 0.69 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2yqi s PRO 14 Cb -0.26 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2yqi s PRO 14 CO 0.30 -1.98 -0.02 -1.12 0.04 0.00 0.00 177.00 174.21 2yqi s SER 15 N -3.41 4.70 0.15 6.66 0.01 -1.26 -4.80 113.70 115.75 2yqi s SER 15 Ca 0.62 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.35 2yqi s SER 15 Cb -0.18 -0.98 0.11 0.00 0.21 0.00 0.00 66.02 65.18 2yqi s SER 15 CO 0.57 0.11 1.12 0.61 0.41 0.00 0.00 173.24 176.06 2yqi n GLY 16 N 0.11 -1.59 0.33 3.44 0.00 -1.25 0.20 105.19 106.42 2yqi n GLY 16 Ca -0.10 0.82 0.13 0.00 0.00 0.00 0.00 46.02 46.87 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 0.82 0.32 1.61 3.57 -1.96 -1.45 116.94 119.85 2yqi h PHE 17 Ca 0.21 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2yqi h PHE 17 Cb 0.39 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2yqi h PHE 17 CO -0.66 0.07 -0.15 0.35 -2.23 0.00 0.00 178.31 175.68 2yqi h PHE 18 N 0.54 -0.40 -0.34 0.41 3.57 0.18 -2.20 116.94 118.71 2yqi h PHE 18 Ca 0.56 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.11 2yqi h PHE 18 Cb 0.99 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.78 2yqi h PHE 18 CO -0.08 -0.09 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.35 2yqi h LEU 19 N -0.70 -1.60 -1.18 0.59 4.07 -0.30 0.27 115.31 116.46 2yqi h LEU 19 Ca -0.04 0.22 0.14 0.00 0.08 0.00 0.00 57.88 58.28 2yqi h LEU 19 Cb 0.48 0.67 -0.08 0.00 1.08 0.00 0.00 40.66 42.81 2yqi h LEU 19 CO 0.07 -0.41 0.60 0.15 -1.08 0.00 0.00 178.44 177.77 2yqi h PHE 20 N -0.41 0.93 0.73 1.13 3.04 -1.35 -0.03 116.94 120.99 2yqi h PHE 20 Ca 0.10 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 2yqi h PHE 20 Cb 0.61 -0.29 0.01 0.00 2.56 0.00 0.00 35.95 38.83 2yqi h PHE 20 CO -0.64 0.34 -0.35 0.00 -2.02 0.00 0.00 178.31 175.64 2yqi h SER 22 N -1.24 0.00 0.61 0.00 0.87 -0.25 0.81 113.55 114.35 2yqi h SER 22 Ca -0.10 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.24 2yqi h SER 22 Cb 0.75 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 2yqi h SER 22 CO 0.17 0.00 -1.55 1.21 -0.53 0.00 0.00 176.83 176.13 2yqi n GLU 23 N -2.86 0.63 0.03 2.24 2.13 -0.05 -4.05 120.64 118.70 2yqi n GLU 23 Ca -0.02 0.26 0.11 0.00 0.66 0.00 0.00 57.16 58.17 2yqi n GLU 23 Cb 0.18 -1.80 -0.04 0.00 0.27 0.00 0.00 31.44 30.04 2yqi n GLU 23 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2yqi n PHE 24 N -2.96 0.30 -0.22 4.31 3.01 0.43 -4.29 117.46 118.04 2yqi n PHE 24 Ca -0.13 0.09 0.01 0.00 1.01 0.00 0.00 57.45 58.43 2yqi n PHE 24 Cb 0.93 -0.51 0.12 0.00 -0.01 0.00 0.00 39.48 40.02 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 0.42 -0.39 -1.08 2.43 0.34 -2.59 114.38 113.51 2yqi h ARG 25 Ca 0.00 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2yqi h ARG 25 Cb 0.83 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 2yqi h ARG 25 CO 0.00 0.28 -0.36 -1.35 -1.51 0.00 0.00 179.97 177.03 2yqi h PRO 26 N 0.43 -0.27 -0.03 0.20 0.11 -1.78 -0.33 132.00 130.33 2yqi h PRO 26 Ca 0.33 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.49 2yqi h PRO 26 Cb 0.42 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 2yqi h PRO 26 CO -0.32 -0.18 -0.21 0.87 -0.21 0.00 0.00 178.00 177.95 2yqi h LYS 27 N -0.28 -0.31 -0.17 1.05 1.57 -1.73 0.05 116.57 116.74 2yqi h LYS 27 Ca 0.16 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2yqi h LYS 27 Cb 0.56 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 2yqi h LYS 27 CO -0.54 -0.21 -0.32 0.82 -0.57 0.00 0.00 179.45 178.63 2yqi h ILE 28 N -0.32 0.28 0.00 1.86 2.04 -1.16 0.57 117.51 120.78 2yqi h ILE 28 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2yqi h ILE 28 Cb 0.41 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2yqi h ILE 28 CO -0.22 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.04 2yqi h LYS 29 N -0.37 0.00 0.00 2.37 1.57 -0.78 0.25 116.57 119.61 2yqi h LYS 29 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2yqi h LYS 29 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2yqi h LYS 29 CO -0.38 0.00 -1.05 0.45 -0.57 0.00 0.00 179.45 177.90 2yqi n SER 30 N -2.51 0.72 -0.10 0.86 2.88 0.98 -4.35 113.62 112.09 2yqi n SER 30 Ca -0.01 -0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 56.82 2yqi n SER 30 Cb 0.11 0.95 -0.12 0.00 -0.75 0.00 0.00 64.21 64.40 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 -1.70 1.27 -3.68 2.46 -2.24 0.16 -4.94 114.28 105.61 2yqi n THR 31 Ca 0.03 -0.60 -0.36 0.00 -2.27 0.00 0.00 64.05 60.86 2yqi n THR 31 Cb 0.38 -1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 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 -5.80 6.31 -0.30 3.42 0.01 0.69 -5.04 114.94 114.23 2yqi s ASN 32 Ca -0.22 0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 52.00 2yqi s ASN 32 Cb 0.07 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 2yqi s ASN 32 CO 0.60 0.18 1.67 -2.16 -1.51 0.00 0.00 177.10 175.88 2yqi s PRO 33 N 0.24 3.55 -1.28 -0.60 0.04 -1.26 -3.59 135.00 132.10 2yqi s PRO 33 Ca 0.12 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 2yqi s PRO 33 Cb -0.12 -4.11 -0.00 0.00 0.04 0.00 0.00 34.50 30.31 2yqi s PRO 33 CO 0.01 -1.60 0.62 0.41 0.04 0.00 0.00 177.00 176.47 2yqi n GLY 34 N 5.09 -0.56 3.77 0.56 0.00 -1.26 -4.91 105.19 107.88 2yqi n GLY 34 Ca 0.20 0.27 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.71 3.30 0.06 -0.61 2.07 -1.24 -5.02 121.20 116.06 2yqi s ILE 35 Ca 0.20 1.14 -0.18 0.00 -1.41 0.00 0.00 60.65 60.41 2yqi s ILE 35 Cb -0.07 -3.66 -0.06 0.00 0.13 0.00 0.00 42.46 38.79 2yqi s ILE 35 CO 0.87 0.14 0.53 -0.44 -1.91 0.00 0.00 174.94 174.13 2yqi s SER 36 N -1.11 6.97 0.38 4.50 0.01 -1.26 -4.95 113.70 118.25 2yqi s SER 36 Ca 0.54 1.17 0.24 0.00 1.31 0.00 0.00 55.95 59.20 2yqi s SER 36 Cb -0.30 -2.32 1.35 0.00 0.21 0.00 0.00 66.02 64.96 2yqi s SER 36 CO 0.38 0.27 1.52 -0.38 0.41 0.00 0.00 173.24 175.44 2yqi n ILE 37 N 1.63 -0.35 -0.22 1.44 5.41 -1.26 0.12 119.36 126.13 2yqi n ILE 37 Ca -0.11 1.89 -0.05 0.00 1.00 0.00 0.00 62.75 65.48 2yqi n ILE 37 Cb 0.51 -3.07 0.05 0.00 -0.71 0.00 0.00 39.64 36.42 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 0.89 0.77 7.39 0.00 -2.00 -1.84 103.07 108.29 2yqi h GLY 38 Ca 0.83 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.82 2yqi h GLY 38 CO -0.64 0.28 -0.37 -0.55 0.00 0.00 0.00 176.54 175.25 2yqi h ASP 39 N 0.80 -0.88 -0.74 0.19 3.32 0.54 -2.72 116.42 116.92 2yqi h ASP 39 Ca 0.24 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.48 2yqi h ASP 39 Cb -0.03 0.23 -0.14 0.00 0.22 0.00 0.00 39.33 39.61 2yqi h ASP 39 CO -0.08 -0.59 -0.16 0.58 -1.72 0.00 0.00 179.24 177.27 2yqi h VAL 40 N -1.12 0.27 -0.48 -1.35 2.07 -1.48 0.43 116.25 114.59 2yqi h VAL 40 Ca -0.11 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2yqi h VAL 40 Cb 0.80 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 2yqi h VAL 40 CO 0.17 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.62 2yqi h ALA 41 N 1.74 0.26 -0.37 1.67 0.00 -1.29 0.11 119.26 121.38 2yqi h ALA 41 Ca 0.36 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.52 2yqi h ALA 41 Cb 0.57 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2yqi h ALA 41 CO -0.75 -0.48 0.05 -0.22 0.00 0.00 0.00 179.25 177.85 2yqi h LYS 42 N -0.04 0.16 0.71 0.00 3.64 -0.61 -1.93 116.57 118.50 2yqi h LYS 42 Ca 0.23 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2yqi h LYS 42 Cb 0.39 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2yqi h LYS 42 CO -0.52 0.10 -0.34 0.87 -2.27 0.00 0.00 179.45 177.29 2yqi h LYS 43 N 0.16 -0.92 -0.74 1.90 1.57 -0.64 -3.03 116.57 114.87 2yqi h LYS 43 Ca 0.18 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.13 2yqi h LYS 43 Cb 0.23 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.62 2yqi h LYS 43 CO -0.26 -0.61 -0.44 -0.07 -0.57 0.00 0.00 179.45 177.49 2yqi h LEU 44 N -0.96 -1.57 -0.79 2.94 3.38 -0.61 0.11 115.31 117.80 2yqi h LEU 44 Ca -0.10 0.27 0.17 0.00 0.09 0.00 0.00 57.88 58.31 2yqi h LEU 44 Cb 0.74 0.74 -0.15 0.00 0.09 0.00 0.00 40.66 42.08 2yqi h LEU 44 CO 0.16 -0.31 -0.13 1.23 0.09 0.00 0.00 178.44 179.48 2yqi h GLY 45 N -0.14 0.68 0.86 0.83 0.00 -1.29 0.61 103.07 104.62 2yqi h GLY 45 Ca 0.22 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 2yqi h GLY 45 CO -0.79 -0.31 0.04 0.83 0.00 0.00 0.00 176.54 176.31 2yqi h GLU 46 N 0.03 0.39 -0.76 4.80 4.39 -0.77 -2.81 114.58 119.86 2yqi h GLU 46 Ca 0.40 -0.10 0.12 0.00 0.34 0.00 0.00 59.36 60.12 2yqi h GLU 46 Cb 0.66 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.17 2yqi h GLU 46 CO -0.78 0.52 0.36 0.52 -1.16 0.00 0.00 179.01 178.47 2yqi h MET 47 N 0.20 0.54 0.50 2.33 2.86 0.93 -0.86 114.93 121.43 2yqi h MET 47 Ca 0.07 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2yqi h MET 47 Cb 0.32 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2yqi h MET 47 CO 0.00 0.36 -0.30 2.35 1.06 0.00 0.00 176.91 180.39 2yqi h TRP 48 N 0.56 -0.78 -0.76 -0.22 2.91 -0.84 -2.17 115.95 114.66 2yqi h TRP 48 Ca 0.40 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.55 2yqi h TRP 48 Cb 0.51 0.27 -0.05 0.00 -0.51 0.00 0.00 29.16 29.39 2yqi h TRP 48 CO -0.12 -0.46 0.50 -0.97 -1.03 0.00 0.00 178.44 176.36 2yqi h ASN 49 N -0.75 0.44 -0.69 2.65 -0.73 -1.18 -0.24 115.58 115.07 2yqi h ASN 49 Ca -0.06 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2yqi h ASN 49 Cb 0.61 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.10 2yqi h ASN 49 CO 0.07 0.23 0.24 0.78 -0.37 0.00 0.00 177.43 178.38 2yqi h ASN 50 N 0.47 1.00 -3.60 1.15 2.35 -0.65 -3.44 115.58 112.86 2yqi h ASN 50 Ca 0.37 -0.17 -0.57 0.00 -0.55 0.00 0.00 56.30 55.38 2yqi h ASN 50 Cb 0.77 -0.26 0.16 0.00 0.05 0.00 0.00 38.32 39.05 2yqi h ASN 50 CO -0.13 0.92 0.15 0.18 -1.65 0.00 0.00 177.43 176.90 2yqi n LEU 51 N -4.27 3.82 -4.97 1.61 4.77 -0.10 -5.00 117.00 112.86 2yqi n LEU 51 Ca 0.06 0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 56.64 2yqi n LEU 51 Cb 0.21 -1.40 0.02 0.00 -2.33 0.00 0.00 43.42 39.92 2yqi n LEU 51 CO 0.41 -1.80 0.31 0.20 -1.33 0.00 0.00 177.39 175.18 2yqi s ASN 52 N -1.25 5.52 0.46 -1.43 0.01 -1.26 -4.93 114.94 112.06 2yqi s ASN 52 Ca 0.76 0.05 0.31 0.00 -0.71 0.00 0.00 52.86 53.27 2yqi s ASN 52 Cb -0.42 -1.09 1.66 0.00 0.41 0.00 0.00 41.25 41.81 2yqi s ASN 52 CO 0.47 -0.94 1.94 -0.78 -1.51 0.00 0.00 177.10 176.28 2yqi h ASP 53 N 0.26 0.00 0.51 -1.22 1.82 -1.97 0.69 116.42 116.51 2yqi h ASP 53 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2yqi h ASP 53 Cb 1.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.29 2yqi h ASP 53 CO 0.53 0.00 -1.40 -0.24 -1.61 0.00 0.00 179.24 176.53 2yqi n SER 54 N -2.59 0.48 0.07 2.28 2.88 -1.26 -3.55 113.62 111.94 2yqi n SER 54 Ca -0.02 0.11 -0.14 0.00 -1.33 0.00 0.00 58.87 57.48 2yqi n SER 54 Cb 0.06 1.11 -0.14 0.00 -0.75 0.00 0.00 64.21 64.50 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 0.20 0.00 -1.46 4.39 -1.24 -3.29 114.58 113.18 2yqi h GLU 55 Ca 0.00 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 2yqi h GLU 55 Cb 0.95 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2yqi h GLU 55 CO 0.00 1.10 -0.19 0.87 -1.16 0.00 0.00 179.01 179.63 2yqi h LYS 56 N 0.06 0.00 -0.73 2.33 1.57 -1.59 -3.36 116.57 114.86 2yqi h LYS 56 Ca -0.16 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2yqi h LYS 56 Cb 1.96 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 34.16 2yqi h LYS 56 CO 0.17 0.12 -0.52 1.96 -0.57 0.00 0.00 179.45 180.61 2yqi h GLN 57 N 0.00 -0.16 0.00 3.15 1.08 -1.63 1.03 115.11 118.57 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 1.10 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 2yqi h GLN 57 CO 0.02 -0.11 0.00 -0.35 -0.95 0.00 0.00 178.83 177.44 2yqi n PRO 58 N -5.35 0.00 -0.01 1.46 -0.04 -1.26 -1.58 135.00 128.22 2yqi n PRO 58 Ca 0.01 0.26 0.01 0.00 -0.04 0.00 0.00 63.50 63.74 2yqi n PRO 58 Cb 0.32 -1.51 -0.12 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 -1.51 0.47 0.00 0.54 4.01 0.29 -4.09 117.16 116.87 2yqi n TYR 59 Ca 0.03 0.15 -0.22 0.00 -0.16 0.00 0.00 57.90 57.71 2yqi n TYR 59 Cb 0.17 -0.91 -0.14 0.00 -0.31 0.00 0.00 39.34 38.15 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 0.68 -0.97 -0.72 2.04 0.67 -3.33 117.51 115.89 2yqi h ILE 60 Ca -0.22 -2.34 0.12 0.00 1.00 0.00 0.00 64.86 63.42 2yqi h ILE 60 Cb 1.58 2.51 -0.08 0.00 -0.74 0.00 0.00 36.82 40.09 2yqi h ILE 60 CO 0.03 0.85 0.60 0.74 0.00 0.00 0.00 178.15 180.36 2yqi h THR 61 N -0.03 0.91 0.15 -0.27 2.02 -1.50 -2.11 112.91 112.09 2yqi h THR 61 Ca -0.41 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2yqi h THR 61 Cb 1.97 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2yqi h THR 61 CO 0.07 0.17 -0.08 0.50 0.37 0.00 0.00 175.52 176.55 2yqi h LYS 62 N 0.95 -0.21 -0.97 6.66 3.64 -1.73 -2.61 116.57 122.31 2yqi h LYS 62 Ca 0.48 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 60.06 2yqi h LYS 62 Cb 0.48 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.24 2yqi h LYS 62 CO -0.27 -0.14 0.56 0.00 -2.27 0.00 0.00 179.45 177.33 2yqi h ALA 63 N 0.63 1.58 -0.40 5.00 0.00 -1.52 -1.90 119.26 122.65 2yqi h ALA 63 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2yqi h ALA 63 Cb 0.17 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 2yqi h ALA 63 CO 0.03 -0.08 -0.39 0.00 0.00 0.00 0.00 179.25 178.81 2yqi h ALA 64 N 1.64 -0.34 -0.14 0.00 0.00 -1.06 -1.68 119.26 117.67 2yqi h ALA 64 Ca 0.56 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.59 2yqi h ALA 64 Cb 0.87 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 2yqi h ALA 64 CO -0.39 -0.81 -0.22 0.87 0.00 0.00 0.00 179.25 178.69 2yqi h LYS 65 N -0.30 -0.27 -1.29 0.00 6.56 -1.36 -0.09 116.57 119.82 2yqi h LYS 65 Ca 0.15 0.02 0.37 0.00 -1.06 0.00 0.00 60.65 60.13 2yqi h LYS 65 Cb 0.57 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 32.22 2yqi h LYS 65 CO -0.56 -0.18 0.90 -0.07 -2.06 0.00 0.00 179.45 177.49 2yqi h LEU 66 N -0.28 0.11 -0.42 2.94 -0.00 -1.20 0.60 115.31 117.07 2yqi h LEU 66 Ca 0.10 0.03 -0.12 0.00 -0.00 0.00 0.00 57.88 57.90 2yqi h LEU 66 Cb 0.43 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 2yqi h LEU 66 CO -0.30 -0.00 -0.20 0.50 -0.00 0.00 0.00 178.44 178.43 2yqi h LYS 67 N 0.08 0.87 -0.32 1.13 1.63 -0.42 -2.60 116.57 116.94 2yqi h LYS 67 Ca 0.65 -0.38 0.07 0.00 -0.85 0.00 0.00 60.65 60.14 2yqi h LYS 67 Cb 2.38 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 33.91 2yqi h LYS 67 CO -0.11 1.03 -0.27 0.93 -3.45 0.00 0.00 179.45 177.59 2yqi h GLU 68 N 0.69 -0.22 -0.25 1.90 4.39 0.38 0.16 114.58 121.62 2yqi h GLU 68 Ca 0.09 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2yqi h GLU 68 Cb 0.77 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2yqi h GLU 68 CO 0.06 -0.15 0.13 0.87 -1.16 0.00 0.00 179.01 178.76 2yqi h LYS 69 N -0.23 0.36 -0.52 2.33 1.57 -1.54 -2.92 116.57 115.62 2yqi h LYS 69 Ca 0.16 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 2yqi h LYS 69 Cb 0.49 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 2yqi h LYS 69 CO -0.46 0.35 0.13 -0.92 -0.57 0.00 0.00 179.45 177.98 2yqi h TYR 70 N 0.28 0.23 -0.83 -1.35 3.20 -0.95 -1.42 116.97 116.13 2yqi h TYR 70 Ca 0.09 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.17 2yqi h TYR 70 Cb 0.10 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.23 2yqi h TYR 70 CO -0.03 0.03 0.32 0.93 -1.64 0.00 0.00 178.16 177.78 2yqi h GLU 71 N 0.28 0.38 0.20 1.82 5.08 -0.52 -0.28 114.58 121.55 2yqi h GLU 71 Ca 0.26 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2yqi h GLU 71 Cb 0.33 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2yqi h GLU 71 CO -0.31 0.25 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.59 2yqi h LYS 72 N 0.39 -0.32 -0.68 2.33 3.64 -1.20 0.71 116.57 121.45 2yqi h LYS 72 Ca 0.49 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 60.03 2yqi h LYS 72 Cb 0.87 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.63 2yqi h LYS 72 CO -0.49 -0.21 -0.16 -0.44 -2.27 0.00 0.00 179.45 175.87 2yqi h ASP 73 N -0.33 -0.61 -0.69 4.20 3.32 -1.32 0.13 116.42 121.11 2yqi h ASP 73 Ca -0.03 0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.30 2yqi h ASP 73 Cb 0.27 0.41 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 2yqi h ASP 73 CO 0.02 -0.22 0.36 0.58 -1.72 0.00 0.00 179.24 178.25 2yqi h VAL 74 N 0.00 0.89 -0.25 -1.35 2.07 -0.95 0.38 116.25 117.06 2yqi h VAL 74 Ca 0.33 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2yqi h VAL 74 Cb 0.50 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2yqi h VAL 74 CO -0.69 0.12 0.10 0.00 0.02 0.00 0.00 177.57 177.11 2yqi h ALA 75 N 1.40 0.29 -0.38 1.67 0.00 0.17 -1.35 119.26 121.05 2yqi h ALA 75 Ca 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2yqi h ALA 75 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2yqi h ALA 75 CO -0.24 -0.31 0.14 -0.44 0.00 0.00 0.00 179.25 178.41 2yqi h ASP 76 N 0.22 0.53 0.02 0.00 3.32 -0.67 -3.13 116.42 116.71 2yqi h ASP 76 Ca 0.11 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.01 2yqi h ASP 76 Cb 0.06 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2yqi h ASP 76 CO -0.09 0.57 -0.25 0.22 -1.72 0.00 0.00 179.24 177.97 2yqi h TYR 77 N 0.47 -0.66 -4.45 4.55 5.03 -0.66 -3.39 116.97 117.87 2yqi h TYR 77 Ca 0.13 0.02 -0.50 0.00 2.58 0.00 0.00 58.73 60.96 2yqi h TYR 77 Cb 0.21 0.29 0.07 0.00 1.55 0.00 0.00 36.73 38.85 2yqi h TYR 77 CO 0.00 -0.34 0.42 0.21 -1.32 0.00 0.00 178.16 177.13 2yqi s LYS 78 N -6.07 3.01 -1.61 1.82 2.20 -0.53 -3.98 119.74 114.58 2yqi s LYS 78 Ca -0.15 0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 55.83 2yqi s LYS 78 Cb 0.09 -2.03 0.12 0.00 -1.51 0.00 0.00 37.83 34.49 2yqi s LYS 78 CO 0.66 -0.94 0.85 -1.13 -0.36 0.00 0.00 175.35 174.43 2yqi n SER 79 N -2.96 -3.74 -4.69 1.43 3.41 -1.26 -4.80 113.62 101.02 2yqi n SER 79 Ca 0.07 -0.91 -0.50 0.00 -0.26 0.00 0.00 58.87 57.27 2yqi n SER 79 Cb 0.57 -3.28 -0.05 0.00 -0.26 0.00 0.00 64.21 61.19 2yqi n SER 79 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2yqi n LYS 80 N -4.51 2.05 0.00 4.33 5.02 -1.26 -5.03 118.16 118.76 2yqi n LYS 80 Ca 0.03 0.75 0.02 0.00 -2.02 0.00 0.00 58.31 57.09 2yqi n LYS 80 Cb 0.52 -2.58 0.01 0.00 -0.02 0.00 0.00 35.03 32.97 2yqi n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29