#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1riy s ASN 2 N 0.00 4.76 0.17 6.12 2.20 -1.26 -4.92 114.94 122.01 1riy s ASN 2 Ca 0.00 -0.75 -0.13 0.00 -0.94 0.00 0.00 52.86 51.04 1riy s ASN 2 Cb 0.00 0.32 0.08 0.00 -2.00 0.00 0.00 41.25 39.65 1riy s ASN 2 CO 0.00 -1.60 1.78 0.50 -2.94 0.00 0.00 177.10 174.85 1riy h LYS 3 N -0.12 0.81 -0.53 3.55 3.64 -2.05 -0.34 116.57 121.52 1riy h LYS 3 Ca -0.31 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1riy h LYS 3 Cb 1.28 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 1riy h LYS 3 CO 0.39 0.62 0.27 -0.22 -2.27 0.00 0.00 179.45 178.24 1riy h LYS 4 N 0.78 0.50 -0.36 1.90 1.63 -1.99 0.26 116.57 119.28 1riy h LYS 4 Ca 0.20 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.88 1riy h LYS 4 Cb 0.05 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1riy h LYS 4 CO -0.03 0.33 -0.14 0.93 -3.45 0.00 0.00 179.45 177.09 1riy h GLU 5 N 0.52 0.66 -0.08 1.90 5.08 -1.87 -0.55 114.58 120.23 1riy h GLU 5 Ca 0.24 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1riy h GLU 5 Cb 0.15 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1riy h GLU 5 CO -0.17 0.77 0.04 1.25 -1.00 0.00 0.00 179.01 179.91 1riy h LEU 6 N 0.59 0.11 -0.26 1.33 5.85 -0.67 -0.43 115.31 121.84 1riy h LEU 6 Ca 0.10 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1riy h LEU 6 Cb 0.59 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1riy h LEU 6 CO 0.04 0.20 0.11 0.40 -0.34 0.00 0.00 178.44 178.86 1riy h ILE 7 N 0.01 0.97 -0.43 4.05 2.04 -0.66 -1.22 117.51 122.27 1riy h ILE 7 Ca 0.03 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1riy h ILE 7 Cb 0.12 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1riy h ILE 7 CO -0.00 0.04 0.28 0.44 0.00 0.00 0.00 178.15 178.91 1riy h ASP 8 N 0.25 0.48 -0.52 1.72 3.32 -0.93 0.86 116.42 121.60 1riy h ASP 8 Ca 0.11 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1riy h ASP 8 Cb 0.05 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1riy h ASP 8 CO -0.09 0.35 -0.03 0.03 -1.72 0.00 0.00 179.24 177.77 1riy h ARG 9 N 0.57 0.94 -0.44 3.56 3.08 -0.96 -1.63 114.38 119.51 1riy h ARG 9 Ca 0.16 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1riy h ARG 9 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1riy h ARG 9 CO -0.04 0.98 -0.05 0.28 -1.07 0.00 0.00 179.97 180.07 1riy h VAL 10 N 0.81 1.27 -0.72 2.04 2.07 -1.07 -1.84 116.25 118.81 1riy h VAL 10 Ca 0.14 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1riy h VAL 10 Cb 0.57 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1riy h VAL 10 CO 0.03 0.38 0.46 0.00 0.02 0.00 0.00 177.57 178.46 1riy h ALA 11 N 0.88 0.95 -0.16 1.67 0.00 -0.70 0.78 119.26 122.69 1riy h ALA 11 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1riy h ALA 11 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1riy h ALA 11 CO 0.03 0.25 0.06 -0.22 0.00 0.00 0.00 179.25 179.37 1riy h LYS 12 N 0.90 0.24 -0.50 0.00 3.64 -1.19 -0.42 116.57 119.23 1riy h LYS 12 Ca 0.29 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1riy h LYS 12 Cb 0.01 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1riy h LYS 12 CO -0.11 0.34 -0.16 0.87 -2.27 0.00 0.00 179.45 178.12 1riy h LYS 13 N 0.09 0.97 0.00 1.90 1.57 -0.93 -2.99 116.57 117.18 1riy h LYS 13 Ca 0.05 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1riy h LYS 13 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1riy h LYS 13 CO -0.00 1.05 -0.29 0.00 -0.57 0.00 0.00 179.45 179.64 1riy n ALA 14 N -2.51 2.88 -3.02 3.86 0.00 0.23 -4.95 120.51 117.01 1riy n ALA 14 Ca 0.01 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 1riy n ALA 14 Cb 0.42 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.63 1riy n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1riy n GLY 15 N 1.45 -0.13 3.57 0.00 0.00 -0.27 -5.02 105.19 104.79 1riy n GLY 15 Ca 0.06 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1riy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1riy s ALA 16 N -3.10 2.95 0.36 4.61 0.00 -0.58 -5.05 121.76 120.95 1riy s ALA 16 Ca 0.31 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.47 1riy s ALA 16 Cb -0.14 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 1riy s ALA 16 CO 0.38 0.42 1.17 0.15 0.00 0.00 0.00 175.76 177.89 1riy s LYS 17 N -3.00 4.27 0.28 0.00 1.02 -1.26 -4.58 119.74 116.46 1riy s LYS 17 Ca 0.26 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.15 1riy s LYS 17 Cb -0.08 -2.88 0.53 0.00 -0.52 0.00 0.00 37.83 34.88 1riy s LYS 17 CO 0.16 -0.15 1.84 0.87 -0.92 0.00 0.00 175.35 177.14 1riy h LYS 18 N 3.07 0.96 -0.41 1.68 1.57 -1.92 -0.95 116.57 120.57 1riy h LYS 18 Ca -0.48 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1riy h LYS 18 Cb 1.23 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1riy h LYS 18 CO 0.64 0.63 0.18 1.57 -0.57 0.00 0.00 179.45 181.90 1riy h LYS 19 N 0.99 0.57 -0.02 3.15 2.10 -1.99 0.12 116.57 121.49 1riy h LYS 19 Ca 0.48 -0.07 -0.24 0.00 -2.00 0.00 0.00 60.65 58.82 1riy h LYS 19 Cb 0.45 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1riy h LYS 19 CO -0.26 0.46 -0.96 -0.44 -2.00 0.00 0.00 179.45 176.25 1riy h ASP 20 N 0.57 0.76 -0.38 7.07 3.32 -1.58 -1.79 116.42 124.38 1riy h ASP 20 Ca 0.14 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1riy h ASP 20 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1riy h ASP 20 CO -0.02 1.39 0.13 0.58 -1.72 0.00 0.00 179.24 179.60 1riy h VAL 21 N 0.34 1.21 -0.58 -1.35 2.07 -0.97 -1.13 116.25 115.84 1riy h VAL 21 Ca -0.10 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.80 1riy h VAL 21 Cb 1.60 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1riy h VAL 21 CO 0.18 0.24 0.32 0.50 0.02 0.00 0.00 177.57 178.82 1riy h LYS 22 N 0.47 0.59 -0.01 1.57 3.64 -0.73 0.16 116.57 122.26 1riy h LYS 22 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1riy h LYS 22 Cb 0.24 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1riy h LYS 22 CO -0.01 0.39 0.01 1.25 -2.27 0.00 0.00 179.45 178.82 1riy h LEU 23 N 0.61 0.02 -0.26 5.20 5.85 -1.12 -0.03 115.31 125.58 1riy h LEU 23 Ca 0.25 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 1riy h LEU 23 Cb 0.13 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1riy h LEU 23 CO -0.15 0.03 -0.20 0.40 -0.34 0.00 0.00 178.44 178.18 1riy h ILE 24 N -0.00 1.31 -0.11 4.05 2.04 -0.98 -0.13 117.51 123.68 1riy h ILE 24 Ca 0.01 -1.34 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1riy h ILE 24 Cb 0.02 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1riy h ILE 24 CO -0.00 0.42 0.03 0.25 0.00 0.00 0.00 178.15 178.85 1riy h LEU 25 N 0.31 0.04 -1.30 1.44 5.85 -0.66 0.36 115.31 121.34 1riy h LEU 25 Ca 0.05 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1riy h LEU 25 Cb 0.74 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1riy h LEU 25 CO 0.05 0.04 0.42 0.44 -0.34 0.00 0.00 178.44 179.05 1riy h ASP 26 N 0.09 0.78 -0.20 1.25 3.32 -0.83 -0.33 116.42 120.51 1riy h ASP 26 Ca 0.05 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1riy h ASP 26 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1riy h ASP 26 CO -0.05 0.59 -0.46 0.74 -1.72 0.00 0.00 179.24 178.33 1riy h THR 27 N 0.92 1.29 -0.24 0.35 2.02 -0.67 -0.86 112.91 115.72 1riy h THR 27 Ca 0.24 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 1riy h THR 27 Cb -0.07 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1riy h THR 27 CO -0.05 0.53 0.14 0.40 0.37 0.00 0.00 175.52 176.91 1riy h ILE 28 N 0.61 1.10 -0.60 3.11 2.04 -0.35 -0.53 117.51 122.89 1riy h ILE 28 Ca 0.03 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1riy h ILE 28 Cb 1.03 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1riy h ILE 28 CO 0.10 0.10 0.26 -0.07 0.00 0.00 0.00 178.15 178.54 1riy h LEU 29 N 0.29 0.81 -0.68 1.44 3.38 -0.99 -1.13 115.31 118.42 1riy h LEU 29 Ca 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1riy h LEU 29 Cb 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1riy h LEU 29 CO -0.01 0.74 0.32 -0.08 0.09 0.00 0.00 178.44 179.49 1riy h GLU 30 N 0.82 0.99 -0.60 1.13 4.57 -1.05 -0.73 114.58 119.71 1riy h GLU 30 Ca 0.20 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1riy h GLU 30 Cb 0.16 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1riy h GLU 30 CO -0.02 0.79 0.11 1.15 -1.18 0.00 0.00 179.01 179.85 1riy h THR 31 N 0.95 1.26 -0.30 0.32 2.02 -0.67 0.54 112.91 117.03 1riy h THR 31 Ca 0.23 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1riy h THR 31 Cb 0.13 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1riy h THR 31 CO -0.03 0.36 -0.04 0.40 0.37 0.00 0.00 175.52 176.58 1riy h ILE 32 N 0.90 1.27 -0.25 3.11 2.04 -1.12 -1.05 117.51 122.42 1riy h ILE 32 Ca 0.18 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1riy h ILE 32 Cb 0.41 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1riy h ILE 32 CO 0.01 0.33 0.16 0.74 0.00 0.00 0.00 178.15 179.40 1riy h THR 33 N 0.33 1.06 -0.54 -0.27 2.02 -0.89 -0.33 112.91 114.29 1riy h THR 33 Ca 0.08 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1riy h THR 33 Cb 0.51 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1riy h THR 33 CO 0.02 0.06 0.31 -0.33 0.37 0.00 0.00 175.52 175.96 1riy h GLU 34 N 0.33 0.74 -0.77 6.66 5.08 -0.85 -0.09 114.58 125.69 1riy h GLU 34 Ca 0.09 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1riy h GLU 34 Cb -0.04 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1riy h GLU 34 CO -0.02 0.56 0.34 0.00 -1.00 0.00 0.00 179.01 178.89 1riy h ALA 35 N 1.15 1.00 -0.62 3.43 0.00 -0.85 -2.06 119.26 121.30 1riy h ALA 35 Ca 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1riy h ALA 35 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1riy h ALA 35 CO -0.03 0.59 0.19 -0.07 0.00 0.00 0.00 179.25 179.93 1riy h LEU 36 N 1.10 0.91 -2.08 0.00 3.38 -0.65 0.88 115.31 118.85 1riy h LEU 36 Ca 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1riy h LEU 36 Cb 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1riy h LEU 36 CO -0.03 0.88 -0.04 0.00 0.09 0.00 0.00 178.44 179.34 1riy h ALA 37 N 1.06 1.74 -0.25 1.53 0.00 -0.62 0.62 119.26 123.34 1riy h ALA 37 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1riy h ALA 37 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1riy h ALA 37 CO -0.01 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.93 1riy n LYS 38 N -4.21 1.81 -1.04 0.00 5.02 -0.81 -4.93 118.16 114.01 1riy n LYS 38 Ca -0.03 -1.24 -0.01 0.00 -2.02 0.00 0.00 58.31 55.01 1riy n LYS 38 Cb 0.13 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1riy n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1riy n GLY 39 N 1.13 0.50 3.90 0.72 0.00 0.21 -5.03 105.19 106.62 1riy n GLY 39 Ca 0.15 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1riy n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1riy s GLU 40 N -1.02 2.85 -0.07 1.61 2.02 0.25 -4.83 118.70 119.51 1riy s GLU 40 Ca 0.00 0.30 -0.04 0.00 0.02 0.00 0.00 54.97 55.25 1riy s GLU 40 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 1riy s GLU 40 CO 0.00 -0.95 0.11 0.21 0.02 0.00 0.00 175.26 174.66 1riy s LYS 41 N -5.25 3.29 -0.29 1.61 2.20 -1.26 -4.34 119.74 115.71 1riy s LYS 41 Ca 0.57 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1riy s LYS 41 Cb -0.11 -3.04 0.08 0.00 -1.51 0.00 0.00 37.83 33.25 1riy s LYS 41 CO 0.49 0.72 -0.05 0.42 -0.36 0.00 0.00 175.35 176.58 1riy s ILE 42 N -1.10 2.16 -0.23 5.43 1.09 0.16 -4.98 121.20 123.72 1riy s ILE 42 Ca 0.19 -1.88 -0.05 0.00 -1.10 0.00 0.00 60.65 57.81 1riy s ILE 42 Cb -0.12 -2.40 -0.01 0.00 -1.06 0.00 0.00 42.46 38.87 1riy s ILE 42 CO 0.09 -0.25 -0.00 -1.58 -0.10 0.00 0.00 174.94 173.09 1riy s GLN 43 N 1.05 3.46 -0.33 2.79 0.74 -1.26 -0.08 119.66 126.03 1riy s GLN 43 Ca -0.01 -0.59 -0.02 0.00 0.05 0.00 0.00 55.36 54.79 1riy s GLN 43 Cb -0.20 -3.13 0.06 0.00 1.10 0.00 0.00 33.01 30.85 1riy s GLN 43 CO -0.06 -0.21 0.06 0.42 -0.55 0.00 0.00 175.29 174.95 1riy s ILE 44 N 1.52 3.12 0.14 -2.34 1.01 0.39 -4.99 121.20 120.06 1riy s ILE 44 Ca 0.06 -1.52 -0.35 0.00 0.00 0.00 0.00 60.65 58.84 1riy s ILE 44 Cb -0.15 -2.88 -0.15 0.00 0.01 0.00 0.00 42.46 39.29 1riy s ILE 44 CO -0.01 -0.25 1.38 0.55 0.00 0.00 0.00 174.94 176.61 1riy n VAL 45 N 4.63 0.27 -0.83 2.92 3.14 -1.26 -1.16 118.33 126.05 1riy n VAL 45 Ca -0.10 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1riy n VAL 45 Cb 0.43 -1.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 1riy n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1riy n GLY 46 N 2.62 0.90 1.38 7.55 0.00 -1.26 -4.81 105.19 111.57 1riy n GLY 46 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1riy n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1riy n PHE 47 N -2.04 0.00 -2.61 1.61 7.35 -0.31 -4.40 117.46 117.06 1riy n PHE 47 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1riy n PHE 47 Cb 0.00 0.25 0.00 0.00 0.35 0.00 0.00 39.48 40.08 1riy n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1riy n GLY 48 N 2.35 -1.48 3.18 7.13 0.00 -0.81 -0.59 105.19 114.97 1riy n GLY 48 Ca 0.00 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1riy n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1riy s SER 49 N -3.00 2.08 -0.15 1.61 1.04 -0.06 -0.46 113.70 114.75 1riy s SER 49 Ca 0.00 -0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.01 1riy s SER 49 Cb 0.00 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1riy s SER 49 CO 0.00 0.18 0.01 -0.36 0.98 0.00 0.00 173.24 174.05 1riy s PHE 50 N -0.53 3.15 0.12 5.02 0.40 0.89 -0.31 117.98 126.71 1riy s PHE 50 Ca 0.06 -0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 1riy s PHE 50 Cb -0.07 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.53 1riy s PHE 50 CO 0.00 0.15 0.43 -2.00 0.70 0.00 0.00 175.22 174.50 1riy s GLU 51 N 0.09 1.08 -0.13 0.44 2.12 -0.30 -0.66 118.70 121.34 1riy s GLU 51 Ca 0.02 -0.64 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 1riy s GLU 51 Cb -0.13 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 1riy s GLU 51 CO 0.02 -0.42 0.18 0.08 -0.54 0.00 0.00 175.26 174.57 1riy s VAL 52 N -3.64 5.43 0.20 3.70 1.01 -1.26 0.07 120.40 125.91 1riy s VAL 52 Ca 0.02 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1riy s VAL 52 Cb 0.01 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1riy s VAL 52 CO -0.11 0.57 -0.08 -0.13 0.00 0.00 0.00 175.10 175.35 1riy s ARG 53 N -0.67 1.25 0.13 2.72 1.81 0.32 -4.92 118.95 119.59 1riy s ARG 53 Ca 0.15 -1.58 -0.31 0.00 -1.72 0.00 0.00 55.73 52.27 1riy s ARG 53 Cb -0.12 -0.80 -0.07 0.00 -0.45 0.00 0.00 34.95 33.50 1riy s ARG 53 CO 0.04 0.05 1.27 -1.59 -0.68 0.00 0.00 175.30 174.39 1riy s LYS 54 N -3.75 4.40 0.00 3.54 -2.85 -1.26 -0.09 119.74 119.73 1riy s LYS 54 Ca 0.23 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 57.13 1riy s LYS 54 Cb 0.03 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.53 1riy s LYS 54 CO 0.05 -0.27 0.00 2.89 0.10 0.00 0.00 175.35 178.12 1riy n ARG 74 N 3.42 0.00 -2.59 1.78 1.85 -1.26 -4.79 116.66 115.07 1riy n ARG 74 Ca 0.08 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.53 1riy n ARG 74 Cb 0.44 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.80 1riy n ARG 74 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1riy s LYS 75 N -4.58 4.69 0.02 2.89 1.02 -1.26 -5.07 119.74 117.46 1riy s LYS 75 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.65 1riy s LYS 75 Cb 0.00 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1riy s LYS 75 CO 0.00 0.26 -0.03 0.14 -0.92 0.00 0.00 175.35 174.80 1riy s VAL 76 N -0.80 0.16 0.36 3.17 -7.23 0.87 -4.94 120.40 111.99 1riy s VAL 76 Ca 0.45 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 59.48 1riy s VAL 76 Cb -0.29 -0.29 -0.09 0.00 0.56 0.00 0.00 36.38 36.27 1riy s VAL 76 CO 0.36 -0.46 1.03 -2.84 -0.31 0.00 0.00 175.10 172.88 1riy s PRO 77 N -1.40 4.34 0.01 4.82 0.02 -1.26 -0.52 135.00 141.01 1riy s PRO 77 Ca -0.14 1.52 -0.01 0.00 0.02 0.00 0.00 61.00 62.38 1riy s PRO 77 Cb -0.09 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.71 1riy s PRO 77 CO -0.01 0.01 -0.00 0.21 -0.33 0.00 0.00 177.00 176.88 1riy s LYS 78 N -2.22 0.28 -0.12 5.54 2.20 0.11 -4.89 119.74 120.64 1riy s LYS 78 Ca 0.54 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.69 1riy s LYS 78 Cb -0.23 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1riy s LYS 78 CO 0.29 -0.05 -0.20 0.12 -0.36 0.00 0.00 175.35 175.15 1riy s PHE 79 N -1.22 2.34 -0.32 4.03 5.36 -1.26 -1.15 117.98 125.77 1riy s PHE 79 Ca -0.13 -1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 54.70 1riy s PHE 79 Cb -0.08 -1.61 0.04 0.00 -0.34 0.00 0.00 43.02 41.03 1riy s PHE 79 CO -0.01 -0.50 0.06 0.15 -1.46 0.00 0.00 175.22 173.46 1riy s LYS 80 N 0.75 2.57 0.37 10.12 3.01 0.57 -4.96 119.74 132.17 1riy s LYS 80 Ca -0.10 -1.19 -0.28 0.00 -1.01 0.00 0.00 55.97 53.39 1riy s LYS 80 Cb -0.16 -3.33 -0.10 0.00 -1.01 0.00 0.00 37.83 33.23 1riy s LYS 80 CO 0.01 -0.63 1.34 -1.25 0.51 0.00 0.00 175.35 175.33 1riy s PRO 81 N 1.35 4.17 0.99 -1.68 0.04 -1.26 -0.88 135.00 137.72 1riy s PRO 81 Ca -0.03 2.26 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 1riy s PRO 81 Cb -0.19 -2.94 0.19 0.00 0.04 0.00 0.00 34.50 31.60 1riy s PRO 81 CO 0.01 -0.36 1.21 0.20 0.04 0.00 0.00 177.00 178.10 1riy s GLY 82 N -0.52 1.66 0.08 0.56 0.00 0.24 -4.82 107.32 104.51 1riy s GLY 82 Ca 0.52 -0.90 -0.27 0.00 0.00 0.00 0.00 44.72 44.07 1riy s GLY 82 CO 0.53 -0.19 1.66 0.50 0.00 0.00 0.00 173.10 175.60 1riy h LYS 83 N -1.75 -0.38 -0.46 2.90 1.57 -1.95 -1.04 116.57 115.46 1riy h LYS 83 Ca -0.46 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1riy h LYS 83 Cb 1.28 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 1riy h LYS 83 CO 0.47 -0.23 0.08 0.00 -0.57 0.00 0.00 179.45 179.19 1riy h ALA 84 N 0.29 0.50 -0.59 3.86 0.00 -1.92 -1.48 119.26 119.92 1riy h ALA 84 Ca -0.04 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1riy h ALA 84 Cb 0.32 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1riy h ALA 84 CO 0.07 -0.32 0.16 1.25 0.00 0.00 0.00 179.25 180.40 1riy h LEU 85 N 0.21 0.88 -1.99 0.00 5.85 -1.73 -0.64 115.31 117.89 1riy h LEU 85 Ca 0.23 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1riy h LEU 85 Cb 0.31 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1riy h LEU 85 CO -0.31 0.88 0.02 0.11 -0.34 0.00 0.00 178.44 178.80 1riy h LYS 86 N 0.84 0.01 0.04 1.25 1.57 -0.74 -2.16 116.57 117.39 1riy h LYS 86 Ca 0.19 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.70 1riy h LYS 86 Cb 0.33 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1riy h LYS 86 CO -0.00 0.01 -1.38 0.93 -0.57 0.00 0.00 179.45 178.43 1riy h GLU 87 N 0.01 0.09 0.00 3.15 3.07 -0.74 -2.98 114.58 117.18 1riy h GLU 87 Ca 0.02 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.36 58.66 1riy h GLU 87 Cb 0.05 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1riy h GLU 87 CO -0.00 0.91 -0.29 -0.22 -1.40 0.00 0.00 179.01 178.01 1riy h LYS 88 N 0.02 0.00 -0.20 2.33 1.63 -0.50 -2.98 116.57 116.88 1riy h LYS 88 Ca -0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1riy h LYS 88 Cb 1.92 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.55 1riy h LYS 88 CO 0.13 0.29 0.00 1.33 -3.45 0.00 0.00 179.45 177.75 1riy n VAL 89 N -3.73 0.43 -1.62 2.00 0.24 -1.00 -5.10 118.33 109.55 1riy n VAL 89 Ca -0.01 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1riy n VAL 89 Cb 0.39 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 1riy n VAL 89 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98