#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rio n THR 3 N 0.00 -1.96 -1.68 0.44 5.66 -1.26 -4.81 114.28 110.67 1rio n THR 3 Ca 0.00 0.02 -0.36 0.00 -3.05 0.00 0.00 64.05 60.66 1rio n THR 3 Cb 0.00 -1.77 0.07 0.00 -1.55 0.00 0.00 70.33 67.08 1rio n THR 3 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1rio s LYS 4 N -2.59 2.47 0.09 1.09 2.47 -1.26 -4.95 119.74 117.06 1rio s LYS 4 Ca 0.10 1.93 -0.31 0.00 -1.56 0.00 0.00 55.97 56.14 1rio s LYS 4 Cb -0.01 -1.85 -0.06 0.00 -1.46 0.00 0.00 37.83 34.44 1rio s LYS 4 CO 0.50 -1.62 1.21 0.21 0.16 0.00 0.00 175.35 175.81 1rio s LYS 5 N -3.54 4.44 0.22 4.03 2.20 -1.26 -4.97 119.74 120.85 1rio s LYS 5 Ca 0.79 1.81 -0.32 0.00 -0.36 0.00 0.00 55.97 57.90 1rio s LYS 5 Cb -0.34 -3.32 -0.14 0.00 -1.51 0.00 0.00 37.83 32.53 1rio s LYS 5 CO 0.40 -0.23 1.41 1.17 -0.36 0.00 0.00 175.35 177.74 1rio n LYS 6 N 3.64 1.96 -2.20 4.03 4.81 -1.26 -4.93 118.16 124.21 1rio n LYS 6 Ca 0.08 0.70 -0.41 0.00 -0.87 0.00 0.00 58.31 57.81 1rio n LYS 6 Cb 0.46 -2.36 -0.03 0.00 0.02 0.00 0.00 35.03 33.12 1rio n LYS 6 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1rio s PRO 7 N -0.22 4.42 1.18 1.64 0.02 -1.26 -5.03 135.00 135.74 1rio s PRO 7 Ca 0.70 2.12 -0.15 0.00 0.02 0.00 0.00 61.00 63.69 1rio s PRO 7 Cb -0.68 -3.11 0.28 0.00 0.02 0.00 0.00 34.50 31.02 1rio s PRO 7 CO 0.48 -0.11 1.04 -0.51 -0.33 0.00 0.00 177.00 177.57 1rio s LEU 8 N -1.56 0.64 0.65 -5.54 1.43 -1.26 -5.01 118.68 108.03 1rio s LEU 8 Ca 0.49 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 1rio s LEU 8 Cb -0.38 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1rio s LEU 8 CO 0.49 -4.14 1.05 0.42 0.23 0.00 0.00 176.35 174.40 1rio s THR 9 N -2.63 4.08 0.27 5.49 -4.23 -1.26 -4.81 115.64 112.54 1rio s THR 9 Ca 0.68 0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1rio s THR 9 Cb -0.20 -3.47 0.25 0.00 1.34 0.00 0.00 72.50 70.43 1rio s THR 9 CO 0.61 -0.79 1.79 -0.61 -0.54 0.00 0.00 174.62 175.08 1rio h GLN 10 N -0.27 0.74 -0.68 3.99 5.75 -1.98 0.40 115.11 123.06 1rio h GLN 10 Ca -0.45 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 57.95 1rio h GLN 10 Cb 1.21 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 1rio h GLN 10 CO 0.58 0.49 0.18 1.49 -2.65 0.00 0.00 178.83 178.91 1rio h GLU 11 N 0.76 1.07 -0.55 1.69 4.81 -1.99 0.19 114.58 120.57 1rio h GLU 11 Ca 0.47 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1rio h GLU 11 Cb 0.59 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1rio h GLU 11 CO -0.32 0.95 0.06 1.96 -0.73 0.00 0.00 179.01 180.93 1rio h GLN 12 N 1.01 0.89 -0.32 1.92 4.20 -1.17 0.79 115.11 122.44 1rio h GLN 12 Ca 0.21 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1rio h GLN 12 Cb 0.35 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1rio h GLN 12 CO -0.00 0.85 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.73 1rio h LEU 13 N 0.84 0.60 -0.25 1.46 3.38 0.57 -0.48 115.31 121.43 1rio h LEU 13 Ca 0.17 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1rio h LEU 13 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rio h LEU 13 CO 0.01 0.81 -0.04 -0.33 0.09 0.00 0.00 178.44 178.98 1rio h GLU 14 N 0.53 0.47 -0.46 1.13 5.08 0.05 -1.32 114.58 120.07 1rio h GLU 14 Ca 0.08 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1rio h GLU 14 Cb 0.65 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.77 1rio h GLU 14 CO 0.05 0.67 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.08 1rio h ASP 15 N 0.22 -0.73 -0.76 1.42 5.19 -0.32 -1.30 116.42 120.14 1rio h ASP 15 Ca 0.07 0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.61 1rio h ASP 15 Cb 0.48 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1rio h ASP 15 CO 0.02 -0.24 0.34 0.00 -3.12 0.00 0.00 179.24 176.24 1rio h ALA 16 N 1.19 0.99 -0.66 3.45 0.00 -0.93 -0.71 119.26 122.59 1rio h ALA 16 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1rio h ALA 16 Cb 0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1rio h ALA 16 CO -0.53 0.58 0.27 0.00 0.00 0.00 0.00 179.25 179.57 1rio h ARG 17 N 1.09 0.98 -0.80 0.00 3.08 -0.62 0.33 114.38 118.44 1rio h ARG 17 Ca 0.26 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1rio h ARG 17 Cb 0.17 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1rio h ARG 17 CO -0.03 0.82 0.44 0.00 -1.07 0.00 0.00 179.97 180.13 1rio h ARG 18 N 0.93 1.11 0.38 0.04 3.08 -0.99 -1.26 114.38 117.67 1rio h ARG 18 Ca 0.22 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1rio h ARG 18 Cb 0.20 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1rio h ARG 18 CO -0.02 0.82 -0.24 1.25 -1.07 0.00 0.00 179.97 180.71 1rio h LEU 19 N 1.11 -0.61 -0.26 3.04 5.85 -0.36 -0.97 115.31 123.11 1rio h LEU 19 Ca 0.28 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1rio h LEU 19 Cb 0.03 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1rio h LEU 19 CO -0.05 -0.38 0.14 0.50 -0.34 0.00 0.00 178.44 178.32 1rio h LYS 20 N -0.60 0.29 -0.86 1.25 3.64 -0.94 -0.30 116.57 119.04 1rio h LYS 20 Ca -0.04 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1rio h LYS 20 Cb 0.50 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1rio h LYS 20 CO 0.04 0.19 0.52 0.00 -2.27 0.00 0.00 179.45 177.93 1rio h ALA 21 N 1.12 1.21 -0.45 5.00 0.00 -1.02 0.30 119.26 125.42 1rio h ALA 21 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rio h ALA 21 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1rio h ALA 21 CO -0.06 0.22 0.30 0.82 0.00 0.00 0.00 179.25 180.53 1rio h ILE 22 N 0.92 1.12 -0.09 0.00 1.08 -0.77 -1.47 117.51 118.30 1rio h ILE 22 Ca 0.39 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.66 1rio h ILE 22 Cb 0.26 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1rio h ILE 22 CO -0.20 0.11 -0.03 0.22 -0.69 0.00 0.00 178.15 177.56 1rio h TYR 23 N 0.61 -0.06 -0.99 1.37 3.20 0.12 -1.89 116.97 119.32 1rio h TYR 23 Ca 0.16 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1rio h TYR 23 Cb -0.07 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1rio h TYR 23 CO -0.04 -0.05 0.66 0.93 -1.64 0.00 0.00 178.16 178.01 1rio h GLU 24 N -0.01 1.26 -0.01 1.82 4.39 -0.50 -0.12 114.58 121.42 1rio h GLU 24 Ca 0.05 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1rio h GLU 24 Cb 0.08 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1rio h GLU 24 CO -0.10 0.84 -0.48 0.87 -1.16 0.00 0.00 179.01 178.98 1rio h LYS 25 N 1.30 0.01 0.00 2.33 6.56 -0.73 -3.34 116.57 122.71 1rio h LYS 25 Ca 0.38 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1rio h LYS 25 Cb -0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1rio h LYS 25 CO -0.10 0.49 -0.34 1.63 -2.06 0.00 0.00 179.45 179.07 1rio n LYS 26 N -3.97 4.68 -0.33 3.15 5.02 -0.76 -4.73 118.16 121.23 1rio n LYS 26 Ca -0.02 -0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1rio n LYS 26 Cb 0.50 -0.82 0.20 0.00 -0.02 0.00 0.00 35.03 34.89 1rio n LYS 26 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1rio h LYS 27 N 0.00 0.85 0.52 1.97 2.10 -1.14 -0.68 116.57 120.18 1rio h LYS 27 Ca 0.00 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 1rio h LYS 27 Cb 0.16 -0.19 0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1rio h LYS 27 CO 0.00 0.56 -0.25 -0.91 -2.00 0.00 0.00 179.45 176.85 1rio h ASN 28 N 0.88 -0.59 0.28 7.07 2.35 -1.84 0.45 115.58 124.17 1rio h ASN 28 Ca 0.45 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.12 1rio h ASN 28 Cb 0.44 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1rio h ASN 28 CO -0.26 -0.39 -0.34 1.05 -1.65 0.00 0.00 177.43 175.83 1rio h GLU 29 N -0.74 0.10 0.00 0.81 4.11 -1.85 -2.37 114.58 114.64 1rio h GLU 29 Ca -0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1rio h GLU 29 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1rio h GLU 29 CO 0.12 0.44 -0.42 -0.07 0.07 0.00 0.00 179.01 179.15 1rio h LEU 30 N 0.09 0.00 -1.29 3.06 3.38 -1.05 -3.48 115.31 116.02 1rio h LEU 30 Ca 0.01 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 1rio h LEU 30 Cb 0.66 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.49 1rio h LEU 30 CO 0.05 0.06 -0.40 0.61 0.09 0.00 0.00 178.44 178.84 1rio n GLY 31 N 1.30 0.06 3.80 0.83 0.00 0.15 -5.04 105.19 106.29 1rio n GLY 31 Ca 0.04 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1rio n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rio s LEU 32 N -4.49 3.76 0.17 0.99 1.43 -0.53 -5.03 118.68 114.98 1rio s LEU 32 Ca 0.19 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1rio s LEU 32 Cb -0.08 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1rio s LEU 32 CO 0.41 0.02 -0.11 -0.94 0.23 0.00 0.00 176.35 175.96 1rio s SER 33 N -3.41 2.05 0.35 2.29 1.04 -1.26 -4.74 113.70 110.01 1rio s SER 33 Ca 0.31 -1.03 0.10 0.00 0.48 0.00 0.00 55.95 55.82 1rio s SER 33 Cb -0.09 -0.05 0.84 0.00 0.10 0.00 0.00 66.02 66.82 1rio s SER 33 CO 0.24 -0.29 1.84 1.56 0.98 0.00 0.00 173.24 177.56 1rio h GLN 34 N 2.69 0.65 -0.42 4.02 4.20 -2.00 -1.05 115.11 123.20 1rio h GLN 34 Ca -0.37 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1rio h GLN 34 Cb 1.20 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1rio h GLN 34 CO 0.63 0.43 0.19 1.49 -0.67 0.00 0.00 178.83 180.90 1rio h GLU 35 N 0.67 0.62 -0.00 1.46 4.81 -1.94 -1.88 114.58 118.31 1rio h GLU 35 Ca 0.49 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 59.45 1rio h GLU 35 Cb 0.86 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1rio h GLU 35 CO -0.25 0.55 -0.80 0.66 -0.73 0.00 0.00 179.01 178.43 1rio h SER 36 N 0.54 0.14 -0.37 1.04 4.64 -1.62 -2.33 113.55 115.59 1rio h SER 36 Ca 0.14 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1rio h SER 36 Cb 0.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1rio h SER 36 CO -0.02 0.88 0.25 0.58 -0.87 0.00 0.00 176.83 177.65 1rio h VAL 37 N 0.06 1.10 -0.53 0.95 2.07 -1.26 -2.84 116.25 115.81 1rio h VAL 37 Ca -0.02 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1rio h VAL 37 Cb 1.41 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1rio h VAL 37 CO 0.11 0.10 0.31 0.00 0.02 0.00 0.00 177.57 178.11 1rio h ALA 38 N 1.13 0.68 -0.58 1.67 0.00 -1.12 -1.10 119.26 119.94 1rio h ALA 38 Ca 0.14 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1rio h ALA 38 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1rio h ALA 38 CO -0.03 0.02 0.39 0.22 0.00 0.00 0.00 179.25 179.85 1rio h ASP 39 N 0.62 0.57 0.00 0.00 3.58 -1.26 -1.81 116.42 118.13 1rio h ASP 39 Ca 0.21 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1rio h ASP 39 Cb 0.02 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1rio h ASP 39 CO -0.10 0.39 0.00 0.29 -2.88 0.00 0.00 179.24 176.95 1rio n LYS 40 N -4.47 0.62 -2.32 0.28 5.02 -0.42 -5.09 118.16 111.79 1rio n LYS 40 Ca 0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.34 1rio n LYS 40 Cb 0.15 -1.19 0.06 0.00 -0.02 0.00 0.00 35.03 34.03 1rio n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rio n GLY 42 N 1.32 1.61 3.73 0.72 0.00 -0.68 -5.12 105.19 106.77 1rio n GLY 42 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1rio n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rio s GLY 44 N -1.95 2.22 0.23 -0.02 0.00 -1.26 -5.16 107.32 101.37 1rio s GLY 44 Ca 0.15 -2.03 -0.06 0.00 0.00 0.00 0.00 44.72 42.78 1rio s GLY 44 CO -0.09 -1.87 1.81 -1.61 0.00 0.00 0.00 173.10 171.34 1rio h GLN 45 N 1.47 1.16 0.00 2.90 -0.00 -1.87 -2.10 115.11 116.68 1rio h GLN 45 Ca -0.43 -0.19 -0.09 0.00 -0.00 0.00 0.00 58.65 57.94 1rio h GLN 45 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.52 1rio h GLN 45 CO 0.68 0.92 -0.44 0.66 0.00 0.00 0.00 178.83 180.65 1rio h SER 46 N 1.14 0.00 -0.33 -0.69 4.64 -1.98 -0.48 113.55 115.84 1rio h SER 46 Ca 0.27 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1rio h SER 46 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1rio h SER 46 CO -0.03 0.44 -0.26 1.23 -0.87 0.00 0.00 176.83 177.34 1rio h GLY 47 N 2.00 0.83 1.31 -0.77 0.00 -1.83 -0.97 103.07 103.64 1rio h GLY 47 Ca -0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.38 1rio h GLY 47 CO 0.06 0.73 -0.33 -2.08 0.00 0.00 0.00 176.54 174.92 1rio h VAL 48 N 0.54 1.28 -0.78 4.60 2.07 -1.11 -3.03 116.25 119.82 1rio h VAL 48 Ca 0.06 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1rio h VAL 48 Cb 0.83 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1rio h VAL 48 CO 0.07 0.49 0.37 1.23 0.02 0.00 0.00 177.57 179.75 1rio h GLY 49 N 0.93 1.20 1.93 2.17 0.00 -0.84 -1.01 103.07 107.46 1rio h GLY 49 Ca 0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1rio h GLY 49 CO 0.08 0.56 0.01 0.00 0.00 0.00 0.00 176.54 177.19 1rio h ALA 50 N 1.29 1.89 -0.02 3.60 0.00 -1.09 -0.83 119.26 124.11 1rio h ALA 50 Ca 0.27 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 1rio h ALA 50 Cb 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1rio h ALA 50 CO -0.03 0.09 -0.88 -0.07 0.00 0.00 0.00 179.25 178.35 1rio h LEU 51 N 0.09 0.81 -0.95 0.00 3.38 -1.10 0.31 115.31 117.85 1rio h LEU 51 Ca 0.02 -0.73 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 1rio h LEU 51 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1rio h LEU 51 CO -0.00 1.43 -0.37 -0.26 0.09 0.00 0.00 178.44 179.33 1rio h PHE 52 N 0.26 0.34 -0.61 1.13 0.04 -0.87 -3.17 116.94 114.06 1rio h PHE 52 Ca -0.11 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1rio h PHE 52 Cb 1.55 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1rio h PHE 52 CO 0.11 0.63 0.00 0.09 -0.60 0.00 0.00 178.31 178.54 1rio n ASN 53 N -4.06 4.70 -1.43 2.17 3.02 -0.36 -4.41 115.26 114.90 1rio n ASN 53 Ca -0.01 -2.49 -0.12 0.00 -0.03 0.00 0.00 54.58 51.93 1rio n ASN 53 Cb 0.46 -0.58 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1rio n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rio n GLY 54 N 1.04 -0.13 0.13 7.41 0.00 -1.17 -4.93 105.19 107.55 1rio n GLY 54 Ca 0.25 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1rio n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rio n ILE 55 N -4.01 1.51 -4.63 -0.61 2.08 0.04 -4.56 119.36 109.18 1rio n ILE 55 Ca -0.14 -0.56 -0.32 0.00 0.56 0.00 0.00 62.75 62.29 1rio n ILE 55 Cb 0.61 -1.48 -0.12 0.00 -0.75 0.00 0.00 39.64 37.90 1rio n ILE 55 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1rio s ASN 56 N -6.63 4.37 0.41 4.38 0.01 -0.84 -4.78 114.94 111.87 1rio s ASN 56 Ca -0.34 -0.17 -0.25 0.00 -0.71 0.00 0.00 52.86 51.39 1rio s ASN 56 Cb 0.09 -0.98 -0.08 0.00 0.41 0.00 0.00 41.25 40.69 1rio s ASN 56 CO 0.60 0.31 1.17 0.00 -1.51 0.00 0.00 177.10 177.67 1rio s ALA 57 N -0.88 3.13 0.43 0.60 0.00 -1.26 -4.40 121.76 119.38 1rio s ALA 57 Ca 0.14 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 1rio s ALA 57 Cb -0.11 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1rio s ALA 57 CO 0.04 -0.54 1.02 -0.51 0.00 0.00 0.00 175.76 175.77 1rio s LEU 58 N -2.56 4.01 0.46 0.00 1.43 -1.26 -5.02 118.68 115.74 1rio s LEU 58 Ca 0.58 1.93 0.06 0.00 -1.03 0.00 0.00 54.13 55.66 1rio s LEU 58 Cb -0.30 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 1rio s LEU 58 CO 0.38 -0.55 0.19 0.54 0.23 0.00 0.00 176.35 177.15 1rio s ASN 59 N -1.82 4.40 0.22 2.29 2.20 -1.26 -4.99 114.94 115.98 1rio s ASN 59 Ca 0.61 -1.22 -0.07 0.00 -0.94 0.00 0.00 52.86 51.24 1rio s ASN 59 Cb -0.17 -0.11 0.18 0.00 -2.00 0.00 0.00 41.25 39.14 1rio s ASN 59 CO 0.22 -0.72 1.80 0.00 -2.94 0.00 0.00 177.10 175.46 1rio h ALA 60 N 1.28 1.08 0.25 3.54 0.00 -1.97 -1.20 119.26 122.23 1rio h ALA 60 Ca -0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1rio h ALA 60 Cb 1.27 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1rio h ALA 60 CO 0.68 0.67 -0.12 -0.92 0.00 0.00 0.00 179.25 179.56 1rio h TYR 61 N 1.19 -0.31 -0.27 0.00 3.20 -2.00 -2.00 116.97 116.77 1rio h TYR 61 Ca 0.28 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 1rio h TYR 61 Cb 0.18 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1rio h TYR 61 CO 0.02 -0.16 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.36 1rio h ASN 62 N -0.38 0.42 -0.74 -2.11 2.35 -1.95 -1.65 115.58 111.52 1rio h ASN 62 Ca -0.03 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1rio h ASN 62 Cb 0.29 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1rio h ASN 62 CO 0.06 0.56 0.34 0.00 -1.65 0.00 0.00 177.43 176.74 1rio h ALA 63 N 1.48 1.19 -0.21 -0.83 0.00 -1.09 -1.07 119.26 118.73 1rio h ALA 63 Ca 0.08 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1rio h ALA 63 Cb 0.44 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rio h ALA 63 CO 0.02 0.61 -0.55 0.00 0.00 0.00 0.00 179.25 179.33 1rio h ALA 64 N 1.30 0.63 -0.76 0.00 0.00 -0.82 -0.45 119.26 119.16 1rio h ALA 64 Ca 0.26 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1rio h ALA 64 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1rio h ALA 64 CO -0.03 0.69 0.31 1.25 0.00 0.00 0.00 179.25 181.46 1rio h LEU 65 N 0.49 1.05 -0.25 0.00 5.85 -1.03 -0.62 115.31 120.81 1rio h LEU 65 Ca 0.01 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.40 1rio h LEU 65 Cb 1.11 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1rio h LEU 65 CO 0.11 0.94 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.62 1rio h LEU 66 N 1.10 0.83 -0.42 2.25 3.38 -0.75 -1.31 115.31 120.39 1rio h LEU 66 Ca 0.25 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1rio h LEU 66 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1rio h LEU 66 CO -0.02 1.21 0.22 0.00 0.09 0.00 0.00 178.44 179.94 1rio h ALA 67 N 0.64 0.53 -0.74 1.53 0.00 -0.90 0.17 119.26 120.49 1rio h ALA 67 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rio h ALA 67 Cb 1.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1rio h ALA 67 CO 0.10 -0.13 0.42 0.87 0.00 0.00 0.00 179.25 180.51 1rio h LYS 68 N 0.44 1.03 -0.45 0.00 1.57 -0.86 0.72 116.57 119.02 1rio h LYS 68 Ca 0.18 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1rio h LYS 68 Cb 0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1rio h LYS 68 CO -0.11 0.75 0.03 0.82 -0.57 0.00 0.00 179.45 180.37 1rio h ILE 69 N 1.02 1.26 -0.00 1.86 1.08 -0.89 -2.79 117.51 119.05 1rio h ILE 69 Ca 0.26 -0.99 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1rio h ILE 69 Cb 0.01 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1rio h ILE 69 CO -0.04 0.34 -0.23 0.18 -0.69 0.00 0.00 178.15 177.70 1rio n LEU 70 N -4.41 0.33 -2.74 1.44 4.77 0.01 -4.96 117.00 111.44 1rio n LEU 70 Ca 0.00 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 1rio n LEU 70 Cb 0.28 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1rio n LEU 70 CO 0.41 0.08 0.14 0.29 -1.33 0.00 0.00 177.39 176.97 1rio n LYS 71 N -1.36 -5.34 -4.25 3.23 5.02 0.18 -5.02 118.16 110.63 1rio n LYS 71 Ca 0.08 0.60 -0.14 0.00 -2.02 0.00 0.00 58.31 56.84 1rio n LYS 71 Cb 0.33 -4.94 -0.10 0.00 -0.02 0.00 0.00 35.03 30.30 1rio n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1rio s VAL 72 N -3.24 0.47 0.44 -0.18 -7.23 -0.81 -5.06 120.40 104.79 1rio s VAL 72 Ca 0.24 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.28 1rio s VAL 72 Cb -0.11 -2.34 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 1rio s VAL 72 CO 0.53 -0.25 0.88 -0.55 -0.31 0.00 0.00 175.10 175.40 1rio s SER 73 N -3.20 6.66 0.50 4.85 0.15 -1.26 -4.40 113.70 116.99 1rio s SER 73 Ca 0.31 1.41 0.15 0.00 0.70 0.00 0.00 55.95 58.52 1rio s SER 73 Cb 0.07 -2.44 1.21 0.00 -1.71 0.00 0.00 66.02 63.15 1rio s SER 73 CO 0.08 -0.45 2.13 0.58 1.20 0.00 0.00 173.24 176.78 1rio h VAL 74 N 1.25 1.02 -0.04 4.45 2.07 -1.92 -0.90 116.25 122.19 1rio h VAL 74 Ca -0.47 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1rio h VAL 74 Cb 1.18 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1rio h VAL 74 CO 0.63 0.02 0.09 -0.33 0.02 0.00 0.00 177.57 178.00 1rio h GLU 75 N 0.05 0.00 0.00 1.57 5.08 -1.92 -1.35 114.58 118.01 1rio h GLU 75 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1rio h GLU 75 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1rio h GLU 75 CO -0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1rio n GLU 76 N -3.36 0.11 0.00 2.33 1.02 -0.34 -4.16 120.64 116.24 1rio n GLU 76 Ca -0.02 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1rio n GLU 76 Cb 0.17 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1rio n GLU 76 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1rio n PHE 77 N -1.85 0.00 -3.66 -0.32 -1.74 -0.73 -4.83 117.46 104.33 1rio n PHE 77 Ca 0.05 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.64 1rio n PHE 77 Cb 0.30 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.16 1rio n PHE 77 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1rio s SER 78 N -3.00 3.71 0.29 5.98 0.15 -0.59 -4.19 113.70 116.05 1rio s SER 78 Ca 0.00 -1.96 -0.01 0.00 0.70 0.00 0.00 55.95 54.68 1rio s SER 78 Cb 0.00 -0.79 0.47 0.00 -1.71 0.00 0.00 66.02 63.99 1rio s SER 78 CO 0.00 -0.36 1.92 -0.65 1.20 0.00 0.00 173.24 175.35 1rio h PRO 79 N 7.58 1.07 -0.32 5.44 0.11 -1.77 -1.87 132.00 142.23 1rio h PRO 79 Ca -0.08 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.81 1rio h PRO 79 Cb 0.98 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1rio h PRO 79 CO 0.44 0.71 -0.44 0.66 -0.21 0.00 0.00 178.00 179.16 1rio h SER 80 N 1.10 0.90 0.12 -2.05 4.64 -1.95 -0.91 113.55 115.41 1rio h SER 80 Ca 0.38 -0.43 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1rio h SER 80 Cb 0.09 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1rio h SER 80 CO -0.13 1.21 -0.25 0.40 -0.87 0.00 0.00 176.83 177.19 1rio h ILE 81 N 0.67 1.23 -0.43 0.95 2.04 -1.92 -1.28 117.51 118.77 1rio h ILE 81 Ca 0.04 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.70 1rio h ILE 81 Cb 1.02 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1rio h ILE 81 CO 0.10 0.33 -0.16 0.00 0.00 0.00 0.00 178.15 178.42 1rio h ALA 82 N 1.54 0.60 -0.69 1.87 0.00 -0.78 -0.81 119.26 120.99 1rio h ALA 82 Ca 0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1rio h ALA 82 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1rio h ALA 82 CO 0.04 0.54 0.14 -0.09 0.00 0.00 0.00 179.25 179.88 1rio h ARG 83 N 0.70 1.13 -0.19 0.00 9.65 -1.08 -1.48 114.38 123.10 1rio h ARG 83 Ca 0.10 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.70 1rio h ARG 83 Cb 0.72 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1rio h ARG 83 CO 0.05 1.01 0.11 1.49 2.80 0.00 0.00 179.97 185.43 1rio h GLU 84 N 1.06 0.26 -0.74 0.20 4.81 -0.87 0.17 114.58 119.47 1rio h GLU 84 Ca 0.21 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1rio h GLU 84 Cb 0.41 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1rio h GLU 84 CO 0.01 0.23 0.49 0.82 -0.73 0.00 0.00 179.01 179.83 1rio h ILE 85 N 0.22 1.06 -0.37 2.32 2.04 -1.03 -0.79 117.51 120.96 1rio h ILE 85 Ca 0.07 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1rio h ILE 85 Cb 0.04 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1rio h ILE 85 CO -0.01 0.15 -0.04 0.22 0.00 0.00 0.00 178.15 178.47 1rio h TYR 86 N 0.83 0.75 0.00 1.37 3.20 -0.28 -1.17 116.97 121.67 1rio h TYR 86 Ca 0.31 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1rio h TYR 86 Cb 0.17 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1rio h TYR 86 CO -0.00 0.80 0.00 -1.91 -1.64 0.00 0.00 178.16 175.41 1rio n GLU 87 N -4.44 0.00 0.00 1.82 4.07 0.50 -2.06 120.64 120.53 1rio n GLU 87 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1rio n GLU 87 Cb 0.31 -1.07 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 1rio n GLU 87 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1rio n TYR 89 N 0.61 0.00 0.13 4.31 9.36 -0.44 -3.87 117.16 127.26 1rio n TYR 89 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 1rio n TYR 89 Cb 0.00 0.00 0.62 0.00 -0.63 0.00 0.00 39.34 39.33 1rio n TYR 89 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1rio h GLU 90 N 0.00 0.08 0.00 2.98 5.08 -1.70 -0.98 114.58 120.04 1rio h GLU 90 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rio h GLU 90 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rio h GLU 90 CO 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 1rio n ALA 91 N -2.56 2.49 1.02 3.43 0.00 -1.25 -2.39 120.51 121.25 1rio n ALA 91 Ca 0.03 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1rio n ALA 91 Cb 0.27 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1rio n ALA 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rio n VAL 92 N -1.06 0.00 -2.37 0.00 0.24 -0.37 -4.90 118.33 109.87 1rio n VAL 92 Ca 0.19 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 1rio n VAL 92 Cb 0.12 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 1rio n VAL 92 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rio s HIS 93 N -2.66 2.48 0.36 6.34 4.02 -1.00 -4.97 115.29 119.87 1rio s HIS 93 Ca 0.15 0.73 -0.24 0.00 1.02 0.00 0.00 55.06 56.72 1rio s HIS 93 Cb 0.17 -4.17 -0.10 0.00 -1.02 0.00 0.00 32.58 27.46 1rio s HIS 93 CO 0.67 -1.93 0.95 -1.01 1.02 0.00 0.00 174.74 174.43 1rio s HIS 94 N 5.08 3.54 0.00 1.40 3.76 -1.26 -5.03 115.29 122.78 1rio s HIS 94 Ca 0.60 1.72 0.00 0.00 -0.15 0.00 0.00 55.06 57.23 1rio s HIS 94 Cb -0.15 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1rio s HIS 94 CO 0.29 0.08 0.00 0.72 -0.85 0.00 0.00 174.74 174.99 1rio n HIS 95 N 0.09 0.00 -0.65 1.40 -0.00 -1.26 -5.13 115.22 109.66 1rio n HIS 95 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.45 1rio n HIS 95 Cb 0.52 0.00 0.27 0.00 -0.00 0.00 0.00 29.99 30.78 1rio n HIS 95 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1rio s HIS 96 N -0.88 -0.34 -2.00 4.41 2.46 -1.26 -5.31 115.29 112.37 1rio s HIS 96 Ca 0.00 0.50 0.12 0.00 0.47 0.00 0.00 55.06 56.14 1rio s HIS 96 Cb 0.00 -3.13 0.69 0.00 -0.13 0.00 0.00 32.58 30.01 1rio s HIS 96 CO 0.00 -4.64 1.12 -2.39 -2.47 0.00 0.00 174.74 166.37