#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ywq s ILE 3 N 0.00 4.19 -0.28 -1.44 1.01 -1.26 -0.25 121.20 123.17 2ywq s ILE 3 Ca 0.00 -0.83 0.28 0.00 0.00 0.00 0.00 60.65 60.10 2ywq s ILE 3 Cb 0.00 -4.91 0.32 0.00 0.01 0.00 0.00 42.46 37.88 2ywq s ILE 3 CO 0.00 -1.74 1.81 0.10 0.00 0.00 0.00 174.94 175.11 2ywq h TYR 4 N 9.50 0.00 -1.96 3.97 -0.00 -1.44 -3.44 116.97 123.60 2ywq h TYR 4 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.88 2ywq h TYR 4 Cb 1.03 0.00 -0.20 0.00 0.00 0.00 0.00 36.73 37.55 2ywq h TYR 4 CO 1.19 0.00 -0.11 0.21 -0.00 0.00 0.00 178.16 179.45 2ywq s LYS 5 N -3.41 0.57 -0.11 0.10 2.20 -1.19 -5.05 119.74 112.86 2ywq s LYS 5 Ca 0.04 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 2ywq s LYS 5 Cb 0.09 0.83 0.02 0.00 -1.51 0.00 0.00 37.83 37.26 2ywq s LYS 5 CO 0.52 -0.19 -0.10 -1.17 -0.36 0.00 0.00 175.35 174.04 2ywq s LEU 6 N 2.83 1.41 0.08 5.43 2.96 -1.26 -0.09 118.68 130.06 2ywq s LEU 6 Ca -0.06 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2ywq s LEU 6 Cb -0.11 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 2ywq s LEU 6 CO -0.19 -0.07 -0.06 0.27 -1.32 0.00 0.00 176.35 174.98 2ywq s ILE 7 N 1.44 0.62 0.06 6.68 -4.36 -0.40 -4.99 121.20 120.24 2ywq s ILE 7 Ca 0.01 -1.78 0.08 0.00 -0.26 0.00 0.00 60.65 58.70 2ywq s ILE 7 Cb -0.13 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.06 2ywq s ILE 7 CO -0.06 -0.81 -0.21 -0.83 0.24 0.00 0.00 174.94 173.26 2ywq s GLY 8 N -2.79 1.20 -0.19 6.27 0.00 -1.26 -0.21 107.32 110.34 2ywq s GLY 8 Ca 0.08 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2ywq s GLY 8 CO -0.04 -1.09 -0.18 0.50 0.00 0.00 0.00 173.10 172.28 2ywq s ARG 9 N -1.43 2.99 -1.63 2.90 0.52 0.21 -4.44 118.95 118.07 2ywq s ARG 9 Ca 0.08 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2ywq s ARG 9 Cb -0.09 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.75 2ywq s ARG 9 CO 0.03 -0.22 0.00 0.09 0.02 0.00 0.00 175.30 175.21 2ywq n ASN 10 N 4.63 -5.11 -3.67 0.23 3.02 -1.26 -2.09 115.26 111.01 2ywq n ASN 10 Ca -0.20 0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 2ywq n ASN 10 Cb 0.50 -4.17 -0.08 0.00 -0.61 0.00 0.00 39.78 35.41 2ywq n ASN 10 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ywq s LEU 11 N -4.60 -0.25 -0.18 3.41 2.96 -1.26 -4.51 118.68 114.24 2ywq s LEU 11 Ca 0.00 1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 54.96 2ywq s LEU 11 Cb 0.00 2.04 -0.05 0.00 0.50 0.00 0.00 46.19 48.68 2ywq s LEU 11 CO 0.00 -0.23 0.12 -0.70 -1.32 0.00 0.00 176.35 174.21 2ywq s GLU 12 N 0.19 4.02 -0.89 1.98 2.12 -1.26 -4.28 118.70 120.59 2ywq s GLU 12 Ca -0.01 -0.24 -0.23 0.00 0.36 0.00 0.00 54.97 54.85 2ywq s GLU 12 Cb -0.04 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 31.08 2ywq s GLU 12 CO 0.01 0.37 1.28 0.42 -0.54 0.00 0.00 175.26 176.80 2ywq s ILE 13 N 0.15 4.08 0.79 -3.70 -1.09 -1.26 -4.99 121.20 115.18 2ywq s ILE 13 Ca 0.08 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 57.84 2ywq s ILE 13 Cb -0.11 -4.92 0.11 0.00 -1.58 0.00 0.00 42.46 35.96 2ywq s ILE 13 CO -0.01 -1.77 1.12 0.42 -1.23 0.00 0.00 174.94 173.47 2ywq s THR 14 N 4.61 2.14 0.43 2.92 -4.23 -1.26 -4.87 115.64 115.37 2ywq s THR 14 Ca 0.38 -0.22 0.13 0.00 -1.18 0.00 0.00 61.69 60.80 2ywq s THR 14 Cb -0.05 -2.92 0.16 0.00 1.34 0.00 0.00 72.50 71.03 2ywq s THR 14 CO -0.01 0.00 1.95 0.44 -0.54 0.00 0.00 174.62 176.46 2ywq h ASP 15 N -0.94 0.03 0.29 3.99 3.45 -1.99 -1.63 116.42 119.63 2ywq h ASP 15 Ca -0.43 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.01 2ywq h ASP 15 Cb 1.29 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 2ywq h ASP 15 CO 0.51 0.24 -0.14 0.00 -1.57 0.00 0.00 179.24 178.28 2ywq h ALA 16 N 1.76 -0.39 -0.34 3.45 0.00 -1.99 -2.10 119.26 119.66 2ywq h ALA 16 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ywq h ALA 16 Cb 0.38 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ywq h ALA 16 CO 0.03 -0.64 0.22 0.82 0.00 0.00 0.00 179.25 179.68 2ywq h ILE 17 N -0.55 1.07 -0.48 0.00 2.04 -1.88 -2.16 117.51 115.54 2ywq h ILE 17 Ca -0.04 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2ywq h ILE 17 Cb 0.41 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2ywq h ILE 17 CO 0.07 0.08 0.32 -0.09 0.00 0.00 0.00 178.15 178.53 2ywq h ARG 18 N 0.44 0.51 0.02 2.37 2.43 -1.28 -1.13 114.38 117.74 2ywq h ARG 18 Ca 0.13 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.04 2ywq h ARG 18 Cb -0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2ywq h ARG 18 CO -0.04 0.34 -0.98 0.22 -1.51 0.00 0.00 179.97 178.00 2ywq h ASP 19 N 0.53 0.46 -0.49 -3.80 3.58 -1.05 -2.56 116.42 113.09 2ywq h ASP 19 Ca 0.20 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.21 2ywq h ASP 19 Cb 0.13 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2ywq h ASP 19 CO -0.05 1.20 0.11 0.22 -2.88 0.00 0.00 179.24 177.84 2ywq h TYR 20 N 0.18 0.84 -0.55 0.28 3.20 -0.73 -1.59 116.97 118.59 2ywq h TYR 20 Ca -0.08 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.62 2ywq h TYR 20 Cb 1.63 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 2ywq h TYR 20 CO 0.05 0.75 0.11 0.28 -1.64 0.00 0.00 178.16 177.72 2ywq h VAL 21 N 0.68 1.25 -0.12 1.81 2.07 -1.25 -1.90 116.25 118.79 2ywq h VAL 21 Ca 0.15 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2ywq h VAL 21 Cb 0.35 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2ywq h VAL 21 CO 0.00 0.34 0.06 -0.33 0.02 0.00 0.00 177.57 177.66 2ywq h GLU 22 N 0.80 0.17 -0.62 1.57 5.08 -1.28 -0.46 114.58 119.83 2ywq h GLU 22 Ca 0.17 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2ywq h GLU 22 Cb 0.38 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2ywq h GLU 22 CO 0.01 0.22 0.09 0.87 -1.00 0.00 0.00 179.01 179.20 2ywq h LYS 23 N 0.07 1.02 -0.34 2.33 1.79 -1.26 -1.01 116.57 119.17 2ywq h LYS 23 Ca 0.04 -0.27 -0.08 0.00 -2.18 0.00 0.00 60.65 58.17 2ywq h LYS 23 Cb 0.11 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2ywq h LYS 23 CO -0.01 0.95 -0.10 0.87 -1.08 0.00 0.00 179.45 180.08 2ywq h LYS 24 N 0.96 0.66 0.00 3.15 1.79 -1.23 -3.17 116.57 118.73 2ywq h LYS 24 Ca 0.19 -0.26 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 2ywq h LYS 24 Cb 0.43 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 2ywq h LYS 24 CO 0.01 0.84 -0.47 -0.07 -1.08 0.00 0.00 179.45 178.69 2ywq h LEU 25 N 0.45 0.00 -2.07 2.94 3.38 -0.99 -3.14 115.31 115.88 2ywq h LEU 25 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2ywq h LEU 25 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2ywq h LEU 25 CO 0.04 0.47 0.05 0.00 0.09 0.00 0.00 178.44 179.08 2ywq h ALA 26 N 1.53 1.98 -0.04 1.53 0.00 -1.15 -2.21 119.26 120.90 2ywq h ALA 26 Ca -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ywq h ALA 26 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ywq h ALA 26 CO 0.06 -0.08 0.28 0.00 0.00 0.00 0.00 179.25 179.51 2ywq h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.64 -1.65 114.38 114.18 2ywq h ARG 27 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2ywq h ARG 27 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2ywq h ARG 27 CO -0.00 0.00 -0.25 1.28 -1.07 0.00 0.00 179.97 179.93 2ywq n LEU 28 N -3.04 0.33 0.25 3.04 4.77 -0.83 -4.04 117.00 117.49 2ywq n LEU 28 Ca -0.01 0.30 0.14 0.00 -0.03 0.00 0.00 56.01 56.41 2ywq n LEU 28 Cb 0.35 -0.36 0.56 0.00 -2.33 0.00 0.00 43.42 41.64 2ywq n LEU 28 CO 0.16 0.02 0.91 0.44 -1.33 0.00 0.00 177.39 177.60 2ywq h ASP 29 N 0.00 0.00 -0.09 -1.43 3.32 -1.49 -3.25 116.42 113.48 2ywq h ASP 29 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2ywq h ASP 29 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2ywq h ASP 29 CO 0.00 0.08 0.05 -2.11 -1.72 0.00 0.00 179.24 175.53 2ywq n ARG 30 N -3.19 1.20 0.00 3.56 1.85 -1.26 -3.60 116.66 115.23 2ywq n ARG 30 Ca 0.01 -0.31 0.00 0.00 -1.00 0.00 0.00 57.85 56.55 2ywq n ARG 30 Cb 0.37 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 2ywq n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2ywq n TYR 31 N 0.26 0.00 -3.62 2.89 4.01 -1.23 -5.07 117.16 114.40 2ywq n TYR 31 Ca 0.05 -0.08 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 2ywq n TYR 31 Cb 0.54 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 2ywq n TYR 31 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2ywq s GLN 32 N -0.16 0.19 0.21 -0.72 0.00 -1.24 -4.94 119.66 113.01 2ywq s GLN 32 Ca 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 55.36 55.35 2ywq s GLN 32 Cb 0.00 0.09 0.18 0.00 0.00 0.00 0.00 33.01 33.27 2ywq s GLN 32 CO 0.00 -0.07 1.52 -0.44 0.00 0.00 0.00 175.29 176.29 2ywq h ASP 33 N 2.07 0.38 -3.57 12.60 3.32 -1.98 -3.46 116.42 125.79 2ywq h ASP 33 Ca -0.08 -0.22 -0.56 0.00 0.02 0.00 0.00 57.03 56.18 2ywq h ASP 33 Cb 1.17 -0.11 0.13 0.00 0.22 0.00 0.00 39.33 40.74 2ywq h ASP 33 CO 0.22 0.91 0.40 0.61 -1.72 0.00 0.00 179.24 179.67 2ywq n GLY 34 N 0.34 0.33 3.77 2.75 0.00 -1.26 -4.97 105.19 106.15 2ywq n GLY 34 Ca -0.03 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2ywq n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ywq s GLU 35 N -2.40 4.03 0.31 1.61 -6.30 -1.26 -4.96 118.70 109.73 2ywq s GLU 35 Ca 0.66 1.75 0.01 0.00 -2.50 0.00 0.00 54.97 54.88 2ywq s GLU 35 Cb -0.48 -2.60 0.01 0.00 0.00 0.00 0.00 34.13 31.06 2ywq s GLU 35 CO 0.54 -0.32 0.05 1.28 0.02 0.00 0.00 175.26 176.83 2ywq n LEU 36 N -0.06 0.00 0.00 2.70 4.77 -1.26 -4.57 117.00 118.58 2ywq n LEU 36 Ca 0.05 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 2ywq n LEU 36 Cb 0.47 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2ywq n LEU 36 CO 0.49 -0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 2ywq n ALA 38 N -2.07 0.00 -3.63 -1.18 0.00 0.66 -1.20 120.51 113.09 2ywq n ALA 38 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 2ywq n ALA 38 Cb 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.67 2ywq n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ywq s LYS 39 N -2.00 1.72 -0.09 0.00 2.20 -0.42 -0.90 119.74 120.24 2ywq s LYS 39 Ca 0.00 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 2ywq s LYS 39 Cb 0.00 -1.53 0.01 0.00 -1.51 0.00 0.00 37.83 34.80 2ywq s LYS 39 CO 0.00 -0.08 -0.18 0.08 -0.36 0.00 0.00 175.35 174.82 2ywq s VAL 40 N 1.02 1.61 -0.20 4.02 1.01 0.88 -1.19 120.40 127.55 2ywq s VAL 40 Ca -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2ywq s VAL 40 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2ywq s VAL 40 CO -0.01 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 2ywq s VAL 41 N 0.61 2.20 -0.05 2.92 1.01 -0.08 -1.28 120.40 125.72 2ywq s VAL 41 Ca -0.14 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.83 2ywq s VAL 41 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2ywq s VAL 41 CO 0.05 0.43 -0.07 -0.76 0.00 0.00 0.00 175.10 174.74 2ywq s LEU 42 N 1.28 3.14 0.14 3.92 1.43 0.70 -1.54 118.68 127.75 2ywq s LEU 42 Ca 0.03 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2ywq s LEU 42 Cb -0.14 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2ywq s LEU 42 CO -0.11 0.35 0.29 -0.44 0.23 0.00 0.00 176.35 176.67 2ywq s SER 43 N -0.92 0.00 -0.07 2.29 0.01 -0.77 0.65 113.70 114.90 2ywq s SER 43 Ca 0.13 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.73 2ywq s SER 43 Cb -0.11 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.55 2ywq s SER 43 CO 0.02 -0.85 -0.15 -0.76 0.41 0.00 0.00 173.24 171.92 2ywq s LEU 44 N -2.90 1.75 0.33 2.44 2.01 -0.89 -1.70 118.68 119.73 2ywq s LEU 44 Ca 0.10 -0.34 0.10 0.00 0.01 0.00 0.00 54.13 53.99 2ywq s LEU 44 Cb 0.03 -0.93 -0.06 0.00 0.01 0.00 0.00 46.19 45.24 2ywq s LEU 44 CO -0.06 0.07 -0.07 0.00 1.01 0.00 0.00 176.35 177.30 2ywq s ALA 45 N 0.53 3.02 -0.50 4.21 0.00 0.00 -4.75 121.76 124.27 2ywq s ALA 45 Ca -0.14 -2.01 -0.26 0.00 0.00 0.00 0.00 51.96 49.55 2ywq s ALA 45 Cb -0.16 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2ywq s ALA 45 CO 0.04 0.10 0.98 0.20 0.00 0.00 0.00 175.76 177.09 2ywq s GLY 46 N -3.63 1.40 -0.07 0.00 0.00 -1.26 -1.72 107.32 102.03 2ywq s GLY 46 Ca 0.33 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 2ywq s GLY 46 CO 0.17 2.14 0.04 1.25 0.00 0.00 0.00 173.10 176.70 2ywq s LYS 52 N 4.03 3.05 0.13 2.90 2.20 -1.26 -5.08 119.74 125.70 2ywq s LYS 52 Ca 0.37 -0.40 0.08 0.00 -0.36 0.00 0.00 55.97 55.66 2ywq s LYS 52 Cb -0.10 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 2ywq s LYS 52 CO 0.25 0.70 -0.10 0.21 -0.36 0.00 0.00 175.35 176.05 2ywq s LYS 53 N -1.15 2.10 -0.01 4.03 2.47 -0.70 -4.57 119.74 121.91 2ywq s LYS 53 Ca 0.16 -1.09 0.04 0.00 -1.56 0.00 0.00 55.97 53.52 2ywq s LYS 53 Cb -0.12 -2.26 -0.01 0.00 -1.46 0.00 0.00 37.83 33.98 2ywq s LYS 53 CO 0.06 0.49 -0.13 0.00 0.16 0.00 0.00 175.35 175.92 2ywq s ALA 54 N -1.35 1.09 0.01 3.13 0.00 0.78 -0.82 121.76 124.60 2ywq s ALA 54 Ca 0.22 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2ywq s ALA 54 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2ywq s ALA 54 CO 0.14 0.27 -0.11 0.50 0.00 0.00 0.00 175.76 176.56 2ywq s ARG 55 N -0.31 0.86 -0.18 0.00 3.52 -0.69 -0.13 118.95 122.03 2ywq s ARG 55 Ca 0.05 -0.50 -0.00 0.00 -0.13 0.00 0.00 55.73 55.15 2ywq s ARG 55 Cb -0.05 -0.83 0.04 0.00 -1.56 0.00 0.00 34.95 32.55 2ywq s ARG 55 CO -0.01 0.22 -0.07 0.00 -0.81 0.00 0.00 175.30 174.64 2ywq s ALA 56 N -0.48 1.65 -0.26 6.12 0.00 0.16 -1.84 121.76 127.12 2ywq s ALA 56 Ca 0.03 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2ywq s ALA 56 Cb -0.05 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 2ywq s ALA 56 CO 0.00 -0.80 0.05 -1.21 0.00 0.00 0.00 175.76 173.81 2ywq s GLU 57 N 1.56 3.45 -0.07 0.00 2.02 -0.59 -1.61 118.70 123.45 2ywq s GLU 57 Ca 0.00 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.40 2ywq s GLU 57 Cb -0.16 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.80 2ywq s GLU 57 CO -0.08 -0.26 -0.14 0.42 0.02 0.00 0.00 175.26 175.22 2ywq s ILE 58 N 1.56 1.25 -0.13 -1.63 1.01 -0.61 -0.91 121.20 121.74 2ywq s ILE 58 Ca 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.17 2ywq s ILE 58 Cb -0.16 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2ywq s ILE 58 CO 0.02 0.38 -0.19 -1.58 0.00 0.00 0.00 174.94 173.57 2ywq s GLN 59 N 0.58 2.69 -0.12 2.79 0.74 -0.33 -1.49 119.66 124.53 2ywq s GLN 59 Ca -0.14 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.56 2ywq s GLN 59 Cb -0.16 -2.23 0.01 0.00 1.10 0.00 0.00 33.01 31.73 2ywq s GLN 59 CO 0.04 -0.06 -0.22 0.54 -0.55 0.00 0.00 175.29 175.05 2ywq s VAL 60 N 0.94 1.99 0.05 1.34 0.11 -0.23 -1.30 120.40 123.30 2ywq s VAL 60 Ca -0.05 -0.95 -0.24 0.00 -2.93 0.00 0.00 61.98 57.80 2ywq s VAL 60 Cb -0.15 -1.75 -0.06 0.00 -1.53 0.00 0.00 36.38 32.89 2ywq s VAL 60 CO -0.03 0.54 0.73 -1.81 -3.33 0.00 0.00 175.10 171.20 2ywq s ASP 61 N 0.66 7.19 0.17 3.54 1.11 -1.26 -1.94 116.67 126.13 2ywq s ASP 61 Ca -0.11 1.42 -0.03 0.00 0.18 0.00 0.00 52.55 54.01 2ywq s ASP 61 Cb -0.16 -2.45 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 2ywq s ASP 61 CO 0.02 0.06 0.14 -1.48 1.18 0.00 0.00 175.17 175.09 2ywq s LEU 62 N -0.24 1.36 0.05 1.23 0.05 -0.84 -4.57 118.68 115.72 2ywq s LEU 62 Ca 0.37 -1.21 -0.32 0.00 0.05 0.00 0.00 54.13 53.02 2ywq s LEU 62 Cb -0.20 0.52 -0.10 0.00 -2.05 0.00 0.00 46.19 44.36 2ywq s LEU 62 CO 0.22 -0.81 1.89 -2.65 -0.55 0.00 0.00 176.35 174.45 2ywq n PRO 63 N -0.19 2.67 -0.92 1.48 -0.02 -1.26 -1.72 135.00 135.04 2ywq n PRO 63 Ca -0.03 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2ywq n PRO 63 Cb 0.64 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2ywq n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ywq n GLY 64 N 4.34 0.60 0.00 -1.23 0.00 -1.26 -4.97 105.19 102.67 2ywq n GLY 64 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2ywq n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ywq n GLY 65 N -2.78 0.57 3.62 -0.02 0.00 -0.70 -5.15 105.19 100.73 2ywq n GLY 65 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 2ywq n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ywq s LEU 66 N 0.00 -0.83 -0.04 0.99 0.20 -1.26 -1.98 118.68 115.75 2ywq s LEU 66 Ca 0.00 1.47 0.03 0.00 0.69 0.00 0.00 54.13 56.32 2ywq s LEU 66 Cb 0.00 2.39 0.00 0.00 -0.43 0.00 0.00 46.19 48.15 2ywq s LEU 66 CO 0.00 -0.24 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.00 2ywq s VAL 67 N 1.08 1.11 -0.12 1.68 1.01 -0.82 -5.00 120.40 119.34 2ywq s VAL 67 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2ywq s VAL 67 Cb -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2ywq s VAL 67 CO -0.11 0.34 -0.12 -0.60 0.00 0.00 0.00 175.10 174.61 2ywq s ARG 68 N 0.29 1.96 0.24 2.72 3.52 -1.26 -1.07 118.95 125.35 2ywq s ARG 68 Ca -0.07 -0.44 0.09 0.00 -0.13 0.00 0.00 55.73 55.19 2ywq s ARG 68 Cb -0.12 -1.82 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 2ywq s ARG 68 CO 0.02 -0.19 -0.05 0.14 -0.81 0.00 0.00 175.30 174.41 2ywq s VAL 69 N 1.40 3.31 -0.06 7.11 -7.23 -0.55 -4.99 120.40 119.38 2ywq s VAL 69 Ca 0.01 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2ywq s VAL 69 Cb -0.13 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.12 2ywq s VAL 69 CO -0.07 -0.29 0.13 -0.70 -0.31 0.00 0.00 175.10 173.86 2ywq s GLU 70 N -3.38 0.06 0.01 4.82 2.12 -1.26 -1.58 118.70 119.50 2ywq s GLU 70 Ca 0.29 0.36 0.03 0.00 0.36 0.00 0.00 54.97 56.02 2ywq s GLU 70 Cb -0.07 -0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.10 2ywq s GLU 70 CO 0.18 -0.18 -0.11 -1.21 -0.54 0.00 0.00 175.26 173.40 2ywq s GLU 71 N 1.28 0.79 0.12 4.30 0.41 -0.64 -4.99 118.70 119.97 2ywq s GLU 71 Ca -0.08 -0.52 0.10 0.00 -0.41 0.00 0.00 54.97 54.06 2ywq s GLU 71 Cb -0.12 -0.76 -0.04 0.00 -1.78 0.00 0.00 34.13 31.44 2ywq s GLU 71 CO -0.05 0.20 -0.25 -1.21 -0.49 0.00 0.00 175.26 173.45 2ywq s GLU 72 N -0.66 1.30 -0.11 1.61 2.02 -1.26 -0.66 118.70 120.94 2ywq s GLU 72 Ca 0.01 -1.28 -0.31 0.00 0.02 0.00 0.00 54.97 53.42 2ywq s GLU 72 Cb -0.06 -1.72 0.12 0.00 0.10 0.00 0.00 34.13 32.58 2ywq s GLU 72 CO 0.00 0.40 1.02 0.34 0.02 0.00 0.00 175.26 177.05 2ywq s ASP 73 N -2.00 -0.29 0.44 -0.19 -1.08 0.82 -4.86 116.67 109.50 2ywq s ASP 73 Ca 0.11 0.11 0.10 0.00 -0.52 0.00 0.00 52.55 52.36 2ywq s ASP 73 Cb -0.10 0.28 0.97 0.00 -1.46 0.00 0.00 42.92 42.61 2ywq s ASP 73 CO 0.05 -0.42 2.07 0.00 0.52 0.00 0.00 175.17 177.39 2ywq h ALA 74 N 2.16 1.77 -3.24 3.66 0.00 -1.83 0.22 119.26 121.99 2ywq h ALA 74 Ca -0.17 -0.04 -0.64 0.00 0.00 0.00 0.00 54.91 54.06 2ywq h ALA 74 Cb 1.20 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.67 2ywq h ALA 74 CO 0.28 0.20 -0.65 0.34 0.00 0.00 0.00 179.25 179.43 2ywq s ASP 75 N -6.83 4.94 0.15 0.00 2.15 -1.26 -4.43 116.67 111.39 2ywq s ASP 75 Ca -0.07 -0.12 -0.20 0.00 0.43 0.00 0.00 52.55 52.60 2ywq s ASP 75 Cb 0.17 -1.82 0.03 0.00 -0.30 0.00 0.00 42.92 41.00 2ywq s ASP 75 CO 0.71 0.14 1.67 0.25 -0.17 0.00 0.00 175.17 177.77 2ywq h LEU 76 N 6.93 -0.40 -1.59 -1.34 5.85 -1.90 -2.37 115.31 120.50 2ywq h LEU 76 Ca -0.33 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2ywq h LEU 76 Cb 1.18 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2ywq h LEU 76 CO 0.63 -0.15 -0.10 1.88 -0.34 0.00 0.00 178.44 180.36 2ywq h TYR 77 N -0.08 0.14 -0.13 1.25 0.99 -1.96 -1.57 116.97 115.61 2ywq h TYR 77 Ca 0.14 -0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.75 2ywq h TYR 77 Cb 0.29 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 37.96 2ywq h TYR 77 CO -0.31 0.24 -0.39 0.00 -0.00 0.00 0.00 178.16 177.70 2ywq h ALA 78 N 1.77 1.10 -0.20 3.88 0.00 -1.85 -0.27 119.26 123.68 2ywq h ALA 78 Ca 0.03 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 2ywq h ALA 78 Cb 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ywq h ALA 78 CO 0.02 0.59 -0.63 0.00 0.00 0.00 0.00 179.25 179.22 2ywq h ALA 79 N 1.36 0.35 -0.75 0.00 0.00 -0.86 -1.94 119.26 117.42 2ywq h ALA 79 Ca 0.02 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2ywq h ALA 79 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2ywq h ALA 79 CO 0.06 0.63 0.28 0.82 0.00 0.00 0.00 179.25 181.03 2ywq h ILE 80 N 0.53 1.26 0.40 0.00 2.04 -1.12 -0.77 117.51 119.85 2ywq h ILE 80 Ca -0.02 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2ywq h ILE 80 Cb 1.25 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2ywq h ILE 80 CO 0.13 0.34 -0.19 0.44 0.00 0.00 0.00 178.15 178.87 2ywq h ASP 81 N 1.09 -0.46 -0.50 1.72 3.45 -0.93 -1.27 116.42 119.52 2ywq h ASP 81 Ca 0.25 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.65 2ywq h ASP 81 Cb 0.25 0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 2ywq h ASP 81 CO -0.02 -0.31 0.13 -0.09 -1.57 0.00 0.00 179.24 177.39 2ywq h ARG 82 N -0.56 0.86 -0.26 3.56 2.43 -1.28 0.69 114.38 119.81 2ywq h ARG 82 Ca -0.05 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2ywq h ARG 82 Cb 0.43 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2ywq h ARG 82 CO 0.09 0.78 0.13 0.00 -1.51 0.00 0.00 179.97 179.46 2ywq h ALA 83 N 1.31 0.34 -0.22 2.80 0.00 -1.04 -1.25 119.26 121.20 2ywq h ALA 83 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2ywq h ALA 83 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ywq h ALA 83 CO 0.00 -0.10 -0.19 0.28 0.00 0.00 0.00 179.25 179.24 2ywq h VAL 84 N 0.29 1.24 -0.41 0.00 2.07 -0.88 -1.39 116.25 117.17 2ywq h VAL 84 Ca 0.09 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2ywq h VAL 84 Cb 0.12 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2ywq h VAL 84 CO -0.01 0.34 0.20 0.44 0.02 0.00 0.00 177.57 178.56 2ywq h ASP 85 N 0.36 0.54 -0.29 0.57 3.45 -0.43 -0.36 116.42 120.26 2ywq h ASP 85 Ca 0.06 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.32 2ywq h ASP 85 Cb 0.55 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 2ywq h ASP 85 CO 0.04 0.52 -0.09 0.03 -1.57 0.00 0.00 179.24 178.16 2ywq h ARG 86 N 0.53 0.58 -0.44 3.56 3.08 -1.06 -2.74 114.38 117.89 2ywq h ARG 86 Ca 0.14 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 60.02 2ywq h ARG 86 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2ywq h ARG 86 CO -0.02 0.79 0.30 -0.07 -1.07 0.00 0.00 179.97 179.90 2ywq h LEU 87 N 0.34 0.28 -0.67 3.04 3.38 -1.04 -0.84 115.31 119.80 2ywq h LEU 87 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2ywq h LEU 87 Cb 0.59 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2ywq h LEU 87 CO 0.03 0.18 0.20 -0.08 0.09 0.00 0.00 178.44 178.87 2ywq h GLU 88 N 0.32 1.05 0.14 1.13 4.81 -0.76 0.13 114.58 121.39 2ywq h GLU 88 Ca 0.19 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2ywq h GLU 88 Cb 0.36 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2ywq h GLU 88 CO -0.04 0.91 -0.07 1.15 -0.73 0.00 0.00 179.01 180.23 2ywq h THR 89 N 0.98 0.91 0.28 0.32 2.02 -1.02 -2.73 112.91 113.67 2ywq h THR 89 Ca 0.22 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2ywq h THR 89 Cb 0.31 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2ywq h THR 89 CO -0.01 0.05 -0.19 1.56 0.37 0.00 0.00 175.52 177.31 2ywq h GLN 90 N -0.29 -0.45 -0.21 6.66 1.08 -1.15 -2.28 115.11 118.48 2ywq h GLN 90 Ca -0.02 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2ywq h GLN 90 Cb 0.23 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2ywq h GLN 90 CO 0.03 -0.30 0.14 0.28 -0.95 0.00 0.00 178.83 178.03 2ywq h VAL 91 N -0.47 0.99 0.00 -0.54 2.07 -0.79 -1.24 116.25 116.28 2ywq h VAL 91 Ca -0.02 -0.06 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 2ywq h VAL 91 Cb 0.40 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2ywq h VAL 91 CO 0.02 0.03 -1.24 0.07 0.02 0.00 0.00 177.57 176.47 2ywq h LYS 92 N 0.18 0.00 0.00 1.57 2.10 -1.41 -3.20 116.57 115.81 2ywq h LYS 92 Ca 0.09 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.68 2ywq h LYS 92 Cb 0.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 2ywq h LYS 92 CO -0.01 0.73 -0.25 0.00 -2.00 0.00 0.00 179.45 177.91 2ywq h ARG 93 N 0.00 0.00 0.00 0.07 2.47 -0.86 -2.72 114.38 113.34 2ywq h ARG 93 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2ywq h ARG 93 Cb 1.81 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.13 2ywq h ARG 93 CO 0.10 0.25 0.00 1.19 0.56 0.00 0.00 179.97 182.08 2ywq n PHE 94 N -3.50 0.00 1.07 3.04 3.01 -0.52 -5.09 117.46 115.46 2ywq n PHE 94 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 2ywq n PHE 94 Cb 0.42 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.04 2ywq n PHE 94 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31