#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5q h VAL 5 N 0.00 0.00 -0.32 2.62 -1.51 -2.04 -3.49 116.25 111.50 1r5q h VAL 5 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1r5q h VAL 5 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 1r5q h VAL 5 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.44 1r5q n ASP 6 N -4.43 0.00 0.01 4.19 3.85 -1.26 -5.04 116.55 113.87 1r5q n ASP 6 Ca -0.07 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 54.08 1r5q n ASP 6 Cb 0.29 0.00 0.48 0.00 -1.35 0.00 0.00 41.12 40.55 1r5q n ASP 6 CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 1r5q h GLN 7 N 0.00 0.42 -0.17 0.11 3.07 -2.03 -2.52 115.11 113.98 1r5q h GLN 7 Ca 0.00 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.77 1r5q h GLN 7 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.46 1r5q h GLN 7 CO 0.00 0.27 0.17 1.96 0.09 0.00 0.00 178.83 181.32 1r5q h GLN 8 N 0.43 0.00 -0.20 0.06 1.08 -1.98 -1.84 115.11 112.67 1r5q h GLN 8 Ca 0.17 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1r5q h GLN 8 Cb 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1r5q h GLN 8 CO -0.04 0.00 0.04 0.82 -0.95 0.00 0.00 178.83 178.70 1r5q h ILE 9 N 0.00 0.92 -0.04 2.54 2.04 -1.88 -1.14 117.51 119.95 1r5q h ILE 9 Ca 0.08 -0.04 -0.18 0.00 1.00 0.00 0.00 64.86 65.72 1r5q h ILE 9 Cb 0.42 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1r5q h ILE 9 CO -0.00 0.02 -0.66 0.25 0.00 0.00 0.00 178.15 177.76 1r5q h LEU 10 N 0.13 0.66 -2.00 1.44 5.85 -1.58 -2.99 115.31 116.81 1r5q h LEU 10 Ca 0.09 -0.71 0.01 0.00 0.84 0.00 0.00 57.88 58.11 1r5q h LEU 10 Cb 0.08 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1r5q h LEU 10 CO -0.11 1.28 0.04 -0.07 -0.34 0.00 0.00 178.44 179.23 1r5q h LEU 11 N 0.10 0.00 0.00 2.25 3.38 -1.27 0.92 115.31 120.69 1r5q h LEU 11 Ca -0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.64 1r5q h LEU 11 Cb 1.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.10 1r5q h LEU 11 CO 0.13 0.00 -1.13 1.56 0.09 0.00 0.00 178.44 179.09 1r5q h GLN 12 N 0.00 0.42 -0.47 1.13 1.08 -1.24 -2.06 115.11 113.97 1r5q h GLN 12 Ca 0.02 -0.56 -0.05 0.00 -1.45 0.00 0.00 58.65 56.61 1r5q h GLN 12 Cb 0.09 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1r5q h GLN 12 CO -0.00 1.22 0.09 1.96 -0.95 0.00 0.00 178.83 181.15 1r5q h GLN 13 N 0.19 0.76 -0.71 1.46 4.20 -1.15 -0.83 115.11 119.02 1r5q h GLN 13 Ca -0.13 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 1r5q h GLN 13 Cb 1.80 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.46 1r5q h GLN 13 CO 0.20 0.76 0.34 -0.07 -0.67 0.00 0.00 178.83 179.39 1r5q h LEU 14 N 0.63 0.93 -0.55 1.46 3.38 -0.87 0.71 115.31 121.01 1r5q h LEU 14 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1r5q h LEU 14 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1r5q h LEU 14 CO 0.01 0.80 0.33 0.50 0.09 0.00 0.00 178.44 180.16 1r5q h LYS 15 N 0.99 0.75 -0.54 1.13 3.64 -1.17 0.01 116.57 121.39 1r5q h LYS 15 Ca 0.24 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1r5q h LYS 15 Cb 0.12 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1r5q h LYS 15 CO -0.03 0.55 0.34 1.03 -2.27 0.00 0.00 179.45 179.07 1r5q h SER 16 N 0.74 0.57 -0.72 4.20 0.87 -0.54 -0.13 113.55 118.54 1r5q h SER 16 Ca 0.20 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1r5q h SER 16 Cb -0.00 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1r5q h SER 16 CO -0.04 0.40 0.29 0.44 -0.53 0.00 0.00 176.83 177.40 1r5q h ASP 17 N 0.68 0.99 -0.18 6.23 3.45 -0.39 -2.68 116.42 124.52 1r5q h ASP 17 Ca 0.21 -0.17 -0.11 0.00 0.43 0.00 0.00 57.03 57.39 1r5q h ASP 17 Cb -0.02 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.48 1r5q h ASP 17 CO -0.07 0.89 -0.23 0.22 -1.57 0.00 0.00 179.24 178.47 1r5q h TYR 18 N 1.03 0.72 -0.23 4.55 3.20 -0.64 -2.24 116.97 123.36 1r5q h TYR 18 Ca 0.24 -0.16 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1r5q h TYR 18 Cb 0.20 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1r5q h TYR 18 CO 0.02 0.81 0.10 -0.09 -1.64 0.00 0.00 178.16 177.35 1r5q h ARG 19 N 0.56 0.21 -0.11 1.82 2.43 -0.71 -0.31 114.38 118.26 1r5q h ARG 19 Ca 0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1r5q h ARG 19 Cb 0.70 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1r5q h ARG 19 CO 0.05 0.14 -0.04 1.96 -1.51 0.00 0.00 179.97 180.57 1r5q h GLN 20 N 0.21 0.16 -0.15 0.20 1.08 -1.20 -1.01 115.11 114.41 1r5q h GLN 20 Ca 0.10 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1r5q h GLN 20 Cb 0.05 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1r5q h GLN 20 CO -0.08 0.21 -0.16 0.82 -0.95 0.00 0.00 178.83 178.67 1r5q h ILE 21 N 0.16 1.35 -0.12 2.54 2.04 -0.72 -2.36 117.51 120.40 1r5q h ILE 21 Ca 0.04 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.59 1r5q h ILE 21 Cb 0.18 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1r5q h ILE 21 CO 0.01 0.39 0.03 -0.07 0.00 0.00 0.00 178.15 178.50 1r5q h LEU 22 N -0.00 0.01 -1.32 1.44 3.38 -0.65 0.18 115.31 118.36 1r5q h LEU 22 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1r5q h LEU 22 Cb 0.69 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1r5q h LEU 22 CO 0.04 0.03 0.00 -0.07 0.09 0.00 0.00 178.44 178.53 1r5q h LEU 23 N 0.08 0.00 -1.55 1.67 3.38 -1.19 -2.43 115.31 115.27 1r5q h LEU 23 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1r5q h LEU 23 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1r5q h LEU 23 CO -0.07 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.92 1r5q n SER 24 N -2.51 1.68 -0.24 -0.43 3.41 -0.89 -4.75 113.62 109.89 1r5q n SER 24 Ca 0.00 -1.39 0.02 0.00 -0.26 0.00 0.00 58.87 57.25 1r5q n SER 24 Cb 0.17 -0.02 0.26 0.00 -0.26 0.00 0.00 64.21 64.36 1r5q n SER 24 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1r5q h TYR 25 N 1.13 0.95 -0.69 7.33 3.20 -0.12 -2.20 116.97 126.58 1r5q h TYR 25 Ca 0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 1r5q h TYR 25 Cb 0.31 -0.32 -0.08 0.00 1.54 0.00 0.00 36.73 38.18 1r5q h TYR 25 CO 0.02 0.56 0.18 1.19 -1.64 0.00 0.00 178.16 178.48 1r5q n PHE 26 N -4.44 2.36 -3.15 -3.82 3.72 -1.26 -4.90 117.46 105.97 1r5q n PHE 26 Ca 0.10 -1.03 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 1r5q n PHE 26 Cb 0.10 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 1r5q n PHE 26 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1r5q n THR 27 N 0.14 0.00 -4.22 4.37 -1.04 -0.83 -5.13 114.28 107.58 1r5q n THR 27 Ca 0.37 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 62.05 1r5q n THR 27 Cb 1.33 -0.42 -0.16 0.00 -1.82 0.00 0.00 70.33 69.26 1r5q n THR 27 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1r5q s THR 28 N 0.52 1.98 0.00 12.58 -4.23 -1.26 -5.06 115.64 120.17 1r5q s THR 28 Ca 0.00 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1r5q s THR 28 Cb 0.00 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1r5q s THR 28 CO 0.00 0.53 0.00 -0.67 -0.54 0.00 0.00 174.62 173.94 1r5q n ASP 29 N 4.53 0.00 0.00 3.99 -0.08 -1.26 -5.15 116.55 118.57 1r5q n ASP 29 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1r5q n ASP 29 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1r5q n ASP 29 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1r5q n LEU 32 N 0.00 0.00 -0.23 -2.67 7.94 -1.26 -5.13 117.00 115.64 1r5q n LEU 32 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1r5q n LEU 32 Cb 0.00 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.03 1r5q n LEU 32 CO 0.00 0.00 1.12 0.50 -1.11 0.00 0.00 177.39 177.90 1r5q h LYS 33 N 0.00 0.75 -0.18 1.96 3.64 -1.99 -1.89 116.57 118.86 1r5q h LYS 33 Ca 0.00 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1r5q h LYS 33 Cb 0.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1r5q h LYS 33 CO 0.00 0.50 -0.43 0.93 -2.27 0.00 0.00 179.45 178.17 1r5q h GLU 34 N 0.77 0.44 -0.57 1.90 4.39 -2.01 -0.33 114.58 119.17 1r5q h GLU 34 Ca 0.28 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1r5q h GLU 34 Cb 0.07 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1r5q h GLU 34 CO -0.13 0.79 0.12 0.87 -1.16 0.00 0.00 179.01 179.50 1r5q h LYS 35 N 0.36 0.93 -0.26 2.33 1.57 -1.90 -1.24 116.57 118.37 1r5q h LYS 35 Ca 0.03 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1r5q h LYS 35 Cb 0.91 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1r5q h LYS 35 CO 0.08 0.87 -0.28 0.82 -0.57 0.00 0.00 179.45 180.37 1r5q h ILE 36 N 0.83 1.31 -0.86 1.86 2.04 -1.19 -1.91 117.51 119.60 1r5q h ILE 36 Ca 0.18 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 1r5q h ILE 36 Cb 0.38 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1r5q h ILE 36 CO 0.01 0.46 0.45 0.44 0.00 0.00 0.00 178.15 179.51 1r5q h ASP 37 N 0.37 1.08 -0.37 1.72 3.32 -0.95 -0.49 116.42 121.10 1r5q h ASP 37 Ca 0.04 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.83 1r5q h ASP 37 Cb 0.85 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1r5q h ASP 37 CO 0.07 0.88 -0.38 0.11 -1.72 0.00 0.00 179.24 178.20 1r5q h LYS 38 N 1.21 0.92 -0.44 3.56 1.57 -1.17 -2.00 116.57 120.22 1r5q h LYS 38 Ca 0.30 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1r5q h LYS 38 Cb 0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1r5q h LYS 38 CO -0.05 1.14 0.17 0.35 -0.57 0.00 0.00 179.45 180.49 1r5q h PHE 39 N 0.73 0.67 -0.37 -1.35 3.57 -1.08 -2.23 116.94 116.89 1r5q h PHE 39 Ca 0.06 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1r5q h PHE 39 Cb 0.97 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1r5q h PHE 39 CO 0.06 0.59 0.22 0.82 -2.23 0.00 0.00 178.31 177.77 1r5q h ILE 40 N 0.56 1.13 -0.40 1.41 1.08 -1.01 -2.02 117.51 118.28 1r5q h ILE 40 Ca 0.14 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1r5q h ILE 40 Cb 0.21 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1r5q h ILE 40 CO -0.01 0.13 0.13 -1.13 -0.69 0.00 0.00 178.15 176.58 1r5q h ASN 41 N 0.48 0.52 -0.16 1.72 -0.73 -1.24 -0.68 115.58 115.49 1r5q h ASN 41 Ca 0.13 -0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.14 1r5q h ASN 41 Cb 0.02 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.48 1r5q h ASN 41 CO -0.02 0.50 -0.30 0.00 -0.37 0.00 0.00 177.43 177.23 1r5q h ALA 42 N 1.58 0.25 -0.02 1.57 0.00 -1.06 0.14 119.26 121.72 1r5q h ALA 42 Ca 0.14 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1r5q h ALA 42 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1r5q h ALA 42 CO -0.01 0.27 -0.51 -0.39 0.00 0.00 0.00 179.25 178.61 1r5q h VAL 43 N 0.11 1.37 0.26 0.00 -1.51 -1.20 -1.42 116.25 113.85 1r5q h VAL 43 Ca 0.01 -1.76 -0.01 0.00 -1.23 0.00 0.00 66.70 63.71 1r5q h VAL 43 Cb 0.89 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1r5q h VAL 43 CO 0.07 0.50 -0.12 0.15 -1.23 0.00 0.00 177.57 176.94 1r5q h PHE 44 N 0.03 -0.32 -0.15 5.19 3.57 -1.06 -2.27 116.94 121.92 1r5q h PHE 44 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1r5q h PHE 44 Cb 0.91 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1r5q h PHE 44 CO 0.00 0.01 -0.10 0.00 -2.23 0.00 0.00 178.31 175.99 1r5q n ALA 46 N -2.49 2.54 -2.75 0.00 0.00 -0.55 -4.94 120.51 112.32 1r5q n ALA 46 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1r5q n ALA 46 Cb 0.24 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.59 1r5q n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1r5q n ASN 47 N 0.27 -5.68 -4.71 0.00 4.05 -0.99 -4.93 115.26 103.27 1r5q n ASN 47 Ca 0.17 -0.15 -0.42 0.00 0.45 0.00 0.00 54.58 54.64 1r5q n ASN 47 Cb 0.34 -4.67 -0.03 0.00 1.23 0.00 0.00 39.78 36.65 1r5q n ASN 47 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1r5q s ILE 48 N -3.06 3.50 0.51 -1.44 1.01 -0.89 -4.98 121.20 115.84 1r5q s ILE 48 Ca 0.17 1.04 -0.22 0.00 0.00 0.00 0.00 60.65 61.64 1r5q s ILE 48 Cb -0.08 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1r5q s ILE 48 CO 0.21 0.06 1.22 -2.84 0.00 0.00 0.00 174.94 173.59 1r5q s PRO 49 N 1.36 3.45 0.28 2.79 0.02 -1.26 -4.90 135.00 136.74 1r5q s PRO 49 Ca 0.64 1.88 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 1r5q s PRO 49 Cb -0.35 -2.26 0.42 0.00 0.02 0.00 0.00 34.50 32.33 1r5q s PRO 49 CO 0.29 -0.84 1.90 0.28 -0.33 0.00 0.00 177.00 178.31 1r5q h VAL 50 N 1.56 1.12 -0.40 3.83 2.07 -2.00 -2.02 116.25 120.41 1r5q h VAL 50 Ca -0.50 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 66.74 1r5q h VAL 50 Cb 1.27 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1r5q h VAL 50 CO 0.58 0.21 0.31 -0.65 0.02 0.00 0.00 177.57 178.05 1r5q h PRO 51 N 1.16 0.00 -0.16 1.57 0.11 -1.99 0.79 132.00 133.48 1r5q h PRO 51 Ca 0.40 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.34 1r5q h PRO 51 Cb 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 1r5q h PRO 51 CO -0.14 0.00 -0.61 0.93 -0.21 0.00 0.00 178.00 177.96 1r5q h GLU 52 N 0.00 0.57 -0.38 1.05 5.08 -1.74 -1.17 114.58 117.99 1r5q h GLU 52 Ca 0.19 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 58.03 1r5q h GLU 52 Cb 0.82 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1r5q h GLU 52 CO -0.00 1.01 -0.29 0.82 -1.00 0.00 0.00 179.01 179.55 1r5q h ILE 53 N 0.42 1.28 -0.23 3.13 2.04 -0.88 -1.70 117.51 121.57 1r5q h ILE 53 Ca -0.01 -1.43 -0.09 0.00 1.00 0.00 0.00 64.86 64.33 1r5q h ILE 53 Cb 1.18 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1r5q h ILE 53 CO 0.12 0.48 -0.24 0.40 0.00 0.00 0.00 178.15 178.90 1r5q h ILE 54 N 0.69 1.26 -0.44 -0.67 2.04 -1.02 -1.60 117.51 117.76 1r5q h ILE 54 Ca 0.08 -1.22 -0.15 0.00 1.00 0.00 0.00 64.86 64.58 1r5q h ILE 54 Cb 0.83 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1r5q h ILE 54 CO 0.07 0.39 -0.30 -0.08 0.00 0.00 0.00 178.15 178.23 1r5q h GLU 55 N 0.39 0.97 -0.43 2.37 4.81 -0.86 -2.04 114.58 119.78 1r5q h GLU 55 Ca 0.06 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1r5q h GLU 55 Cb 0.63 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1r5q h GLU 55 CO 0.05 1.13 0.27 0.82 -0.73 0.00 0.00 179.01 180.54 1r5q h ILE 56 N 0.81 1.13 0.09 2.32 2.04 -0.99 -0.79 117.51 122.12 1r5q h ILE 56 Ca 0.09 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1r5q h ILE 56 Cb 0.88 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1r5q h ILE 56 CO 0.08 0.13 -0.39 -0.74 0.00 0.00 0.00 178.15 177.22 1r5q h HIS 57 N 0.58 -1.10 -0.97 1.37 2.76 -1.07 -1.34 115.15 115.38 1r5q h HIS 57 Ca 0.16 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 1r5q h HIS 57 Cb -0.03 0.47 -0.06 0.00 1.55 0.00 0.00 27.41 29.35 1r5q h HIS 57 CO -0.04 -0.49 0.63 0.52 -1.30 0.00 0.00 177.93 177.26 1r5q h MET 58 N -0.61 1.19 -0.59 5.26 2.86 -1.19 -0.89 114.93 120.95 1r5q h MET 58 Ca 0.03 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1r5q h MET 58 Cb 0.65 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1r5q h MET 58 CO -0.25 0.78 0.21 0.93 1.06 0.00 0.00 176.91 179.65 1r5q h GLU 59 N 1.22 0.90 -0.20 1.72 5.08 -0.74 -1.05 114.58 121.51 1r5q h GLU 59 Ca 0.38 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1r5q h GLU 59 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1r5q h GLU 59 CO -0.12 0.79 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.26 1r5q h LEU 60 N 0.83 0.44 -0.76 1.33 3.38 -0.81 -1.65 115.31 118.06 1r5q h LEU 60 Ca 0.19 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1r5q h LEU 60 Cb 0.24 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1r5q h LEU 60 CO -0.01 0.76 0.19 0.40 0.09 0.00 0.00 178.44 179.87 1r5q h ILE 61 N 0.36 1.26 -0.39 1.22 1.08 -0.78 0.60 117.51 120.86 1r5q h ILE 61 Ca 0.04 -0.95 -0.03 0.00 -0.39 0.00 0.00 64.86 63.53 1r5q h ILE 61 Cb 0.79 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1r5q h ILE 61 CO 0.06 0.37 0.13 0.44 -0.69 0.00 0.00 178.15 178.46 1r5q h ASP 62 N 1.08 0.56 -0.15 1.72 3.32 -0.77 -0.87 116.42 121.31 1r5q h ASP 62 Ca 0.23 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1r5q h ASP 62 Cb 0.35 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1r5q h ASP 62 CO -0.00 0.61 0.05 -0.33 -1.72 0.00 0.00 179.24 177.85 1r5q h GLU 63 N 0.48 0.12 -0.42 3.56 5.08 -1.00 -2.28 114.58 120.13 1r5q h GLU 63 Ca 0.13 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1r5q h GLU 63 Cb 0.24 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1r5q h GLU 63 CO -0.01 0.08 0.19 0.74 -1.00 0.00 0.00 179.01 179.02 1r5q h PHE 64 N 0.12 0.36 -0.24 4.33 0.05 -0.68 -0.59 116.94 120.30 1r5q h PHE 64 Ca 0.06 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 1r5q h PHE 64 Cb 0.04 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 37.88 1r5q h PHE 64 CO -0.11 0.17 0.10 0.66 -0.18 0.00 0.00 178.31 178.96 1r5q h SER 65 N 0.39 0.29 -0.00 2.17 4.64 -0.97 0.32 113.55 120.39 1r5q h SER 65 Ca 0.18 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1r5q h SER 65 Cb 0.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1r5q h SER 65 CO -0.14 0.26 -0.00 0.11 -0.87 0.00 0.00 176.83 176.18 1r5q h LYS 66 N 0.33 0.00 -0.36 4.77 6.56 -0.82 -0.72 116.57 126.33 1r5q h LYS 66 Ca 0.08 -0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.72 1r5q h LYS 66 Cb 0.05 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 1r5q h LYS 66 CO -0.01 0.66 0.24 1.96 -2.06 0.00 0.00 179.45 180.24 1r5q h GLN 67 N -0.66 0.27 -0.02 3.15 4.20 -0.58 -1.08 115.11 120.39 1r5q h GLN 67 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1r5q h GLN 67 Cb 0.66 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1r5q h GLN 67 CO 0.00 0.18 0.00 1.28 -0.67 0.00 0.00 178.83 179.62 1r5q n LEU 68 N -4.48 1.38 -3.71 1.46 4.32 0.05 -4.95 117.00 111.07 1r5q n LEU 68 Ca 0.04 -0.46 -0.24 0.00 -0.02 0.00 0.00 56.01 55.33 1r5q n LEU 68 Cb 0.23 -0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.07 1r5q n LEU 68 CO 0.35 0.23 0.05 0.54 -1.22 0.00 0.00 177.39 177.34 1r5q n ARG 69 N 0.08 -5.78 0.00 3.23 3.00 -0.41 -5.05 116.66 111.73 1r5q n ARG 69 Ca 0.19 0.68 0.00 0.00 -0.01 0.00 0.00 57.85 58.71 1r5q n ARG 69 Cb 0.33 -5.47 0.00 0.00 0.00 0.00 0.00 32.46 27.33 1r5q n ARG 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1r5q n LEU 70 N -4.47 0.00 -4.00 0.55 4.77 -0.31 -5.05 117.00 108.49 1r5q n LEU 70 Ca -0.16 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.47 1r5q n LEU 70 Cb 0.62 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1r5q n LEU 70 CO 0.69 0.00 -0.22 0.61 -1.33 0.00 0.00 177.39 177.14 1r5q n GLY 74 N 4.14 -0.60 2.06 -0.72 0.00 -1.26 -4.91 105.19 103.91 1r5q n GLY 74 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 1r5q n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r5q n ASP 75 N -2.61 -4.36 -2.51 1.61 9.92 -1.26 -5.00 116.55 112.34 1r5q n ASP 75 Ca -0.19 0.67 -0.14 0.00 -0.53 0.00 0.00 54.79 54.59 1r5q n ASP 75 Cb 0.62 -3.03 -0.03 0.00 -0.64 0.00 0.00 41.12 38.05 1r5q n ASP 75 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1r5q n LEU 78 N 0.39 -0.28 0.31 0.64 4.77 -1.26 -5.14 117.00 116.44 1r5q n LEU 78 Ca -0.03 -0.36 0.20 0.00 -0.03 0.00 0.00 56.01 55.79 1r5q n LEU 78 Cb 0.04 -0.66 1.02 0.00 -2.33 0.00 0.00 43.42 41.49 1r5q n LEU 78 CO 0.21 0.03 1.11 0.24 -1.33 0.00 0.00 177.39 177.65 1r5q h MET 79 N -0.29 0.00 0.00 3.23 2.86 -2.03 -2.07 114.93 116.63 1r5q h MET 79 Ca -0.20 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 1r5q h MET 79 Cb 0.59 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1r5q h MET 79 CO 0.30 0.01 -0.16 -0.44 1.06 0.00 0.00 176.91 177.69 1r5q h ASP 80 N 0.00 0.00 0.22 1.22 3.32 -2.04 -1.31 116.42 117.84 1r5q h ASP 80 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r5q h ASP 80 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1r5q h ASP 80 CO 0.00 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 1r5q n TYR 81 N -3.75 0.00 0.28 4.55 0.53 -0.78 -1.86 117.16 116.13 1r5q n TYR 81 Ca -0.02 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.03 1r5q n TYR 81 Cb 0.27 -0.26 0.78 0.00 -1.03 0.00 0.00 39.34 39.10 1r5q n TYR 81 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1r5q h ARG 82 N 0.00 0.00 -0.47 -0.72 3.08 -1.43 -1.86 114.38 112.98 1r5q h ARG 82 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1r5q h ARG 82 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1r5q h ARG 82 CO 0.00 0.06 0.01 -0.07 -1.07 0.00 0.00 179.97 178.89 1r5q h LEU 83 N 0.00 0.81 -0.37 3.04 3.38 -1.58 -0.77 115.31 119.82 1r5q h LEU 83 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1r5q h LEU 83 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1r5q h LEU 83 CO 0.01 0.91 0.24 0.74 0.09 0.00 0.00 178.44 180.43 1r5q h THR 84 N 0.68 1.09 -0.66 0.22 2.02 -1.53 -0.99 112.91 113.74 1r5q h THR 84 Ca 0.13 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1r5q h THR 84 Cb 0.49 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1r5q h THR 84 CO 0.02 0.09 0.20 0.25 0.37 0.00 0.00 175.52 176.45 1r5q h LEU 85 N 0.50 0.98 -0.41 2.58 5.85 -1.23 -0.77 115.31 122.80 1r5q h LEU 85 Ca 0.13 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1r5q h LEU 85 Cb -0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1r5q h LEU 85 CO -0.03 0.93 0.24 0.40 -0.34 0.00 0.00 178.44 179.65 1r5q h ILE 86 N 0.97 1.04 -0.86 4.05 2.04 -0.90 -0.38 117.51 123.46 1r5q h ILE 86 Ca 0.21 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1r5q h ILE 86 Cb 0.31 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1r5q h ILE 86 CO -0.00 0.09 0.54 -0.78 0.00 0.00 0.00 178.15 177.99 1r5q h ASP 87 N 0.49 1.02 -0.07 1.72 -0.00 -0.75 0.08 116.42 118.91 1r5q h ASP 87 Ca 0.16 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.03 57.13 1r5q h ASP 87 Cb 0.01 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 39.09 1r5q h ASP 87 CO -0.08 0.76 -0.03 0.40 -0.00 0.00 0.00 179.24 180.30 1r5q h ILE 88 N 1.18 1.31 -0.45 2.25 1.08 -0.83 -2.10 117.51 119.94 1r5q h ILE 88 Ca 0.31 -0.99 -0.06 0.00 -0.39 0.00 0.00 64.86 63.73 1r5q h ILE 88 Cb -0.08 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1r5q h ILE 88 CO -0.06 0.27 0.03 -0.07 -0.69 0.00 0.00 178.15 177.63 1r5q h LEU 89 N -0.22 0.68 -0.49 1.44 3.38 -0.87 0.06 115.31 119.29 1r5q h LEU 89 Ca 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1r5q h LEU 89 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1r5q h LEU 89 CO 0.01 0.73 0.11 0.00 0.09 0.00 0.00 178.44 179.38 1r5q h ALA 90 N 1.35 0.65 -0.54 1.53 0.00 -0.95 -0.43 119.26 120.87 1r5q h ALA 90 Ca 0.14 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1r5q h ALA 90 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1r5q h ALA 90 CO 0.01 0.35 -0.06 0.45 0.00 0.00 0.00 179.25 180.01 1r5q h HIS 91 N 0.68 1.06 -0.44 0.00 3.86 -1.01 -2.27 115.15 117.03 1r5q h HIS 91 Ca 0.15 -0.19 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 1r5q h HIS 91 Cb 0.35 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1r5q h HIS 91 CO 0.02 0.98 -0.00 1.25 0.86 0.00 0.00 177.93 181.04 1r5q h LEU 92 N 0.88 0.77 -0.91 2.43 5.85 -0.78 -2.07 115.31 121.47 1r5q h LEU 92 Ca 0.15 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1r5q h LEU 92 Cb 0.59 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1r5q h LEU 92 CO 0.04 0.89 0.60 0.00 -0.34 0.00 0.00 178.44 179.62 1r5q h GLU 94 N 1.21 0.33 -0.10 0.00 4.39 -1.28 0.13 114.58 119.26 1r5q h GLU 94 Ca 0.34 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1r5q h GLU 94 Cb -0.10 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1r5q h GLU 94 CO -0.08 0.63 0.05 0.00 -1.16 0.00 0.00 179.01 178.45 1r5q h ALA 95 N 1.36 0.13 -0.41 3.43 0.00 -0.71 0.84 119.26 123.91 1r5q h ALA 95 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1r5q h ALA 95 Cb 0.74 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1r5q h ALA 95 CO 0.06 -0.30 0.06 1.88 0.00 0.00 0.00 179.25 180.95 1r5q h TYR 96 N 0.03 0.73 -0.69 0.00 -1.99 -1.22 -2.92 116.97 110.90 1r5q h TYR 96 Ca 0.03 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.60 1r5q h TYR 96 Cb 0.13 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 1r5q h TYR 96 CO -0.03 0.71 0.17 -0.09 -0.00 0.00 0.00 178.16 178.93 1r5q h ARG 97 N 0.54 1.10 0.00 4.88 2.43 -0.59 -1.87 114.38 120.87 1r5q h ARG 97 Ca 0.12 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1r5q h ARG 97 Cb 0.38 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1r5q h ARG 97 CO 0.01 0.97 0.00 0.41 -1.51 0.00 0.00 179.97 179.85 1r5q n GLY 98 N -0.70 -1.07 0.11 2.80 0.00 0.28 -3.31 105.19 103.29 1r5q n GLY 98 Ca 0.05 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1r5q n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r5q n ALA 99 N -1.61 1.49 -0.30 4.61 0.00 -0.77 -4.63 120.51 119.31 1r5q n ALA 99 Ca 0.03 -1.22 0.13 0.00 0.00 0.00 0.00 53.44 52.38 1r5q n ALA 99 Cb 0.18 -0.14 0.29 0.00 0.00 0.00 0.00 19.45 19.78 1r5q n ALA 99 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r5q h ILE 100 N 0.00 0.30 -0.03 0.00 1.08 -1.38 -3.52 117.51 113.96 1r5q h ILE 100 Ca -0.54 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1r5q h ILE 100 Cb 2.09 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1r5q h ILE 100 CO -0.01 0.04 0.00 0.49 -0.69 0.00 0.00 178.15 177.97