#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u s ASN 2 N 0.00 6.37 0.00 6.12 -0.87 -1.26 -4.96 114.94 120.34 1r2u s ASN 2 Ca 0.00 2.24 0.00 0.00 -1.57 0.00 0.00 52.86 53.53 1r2u s ASN 2 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 1r2u s ASN 2 CO 0.00 -0.77 0.72 0.47 -2.57 0.00 0.00 177.10 174.95 1r2u n ASP 3 N -0.31 1.31 0.16 -1.22 9.92 -1.26 -4.69 116.55 120.47 1r2u n ASP 3 Ca 0.06 -1.51 0.02 0.00 -0.53 0.00 0.00 54.79 52.84 1r2u n ASP 3 Cb 0.48 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 41.20 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1r2u h ILE 4 N 0.43 1.17 -0.22 0.53 -2.65 -1.97 -2.30 117.51 112.50 1r2u h ILE 4 Ca 0.00 -1.87 -0.16 0.00 1.03 0.00 0.00 64.86 63.86 1r2u h ILE 4 Cb 0.41 2.07 -0.01 0.00 -2.05 0.00 0.00 36.82 37.24 1r2u h ILE 4 CO 0.00 0.50 -0.51 1.88 0.03 0.00 0.00 178.15 180.05 1r2u h TYR 5 N 0.00 0.75 -0.40 0.16 0.05 -1.94 -0.96 116.97 114.64 1r2u h TYR 5 Ca -0.01 -0.25 -0.11 0.00 0.05 0.00 0.00 58.73 58.41 1r2u h TYR 5 Cb 1.03 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1r2u h TYR 5 CO 0.00 0.99 -0.19 0.87 -1.05 0.00 0.00 178.16 178.77 1r2u h LYS 6 N 0.47 0.83 -0.26 4.88 1.79 -1.83 0.31 116.57 122.77 1r2u h LYS 6 Ca 0.02 -0.37 -0.08 0.00 -2.18 0.00 0.00 60.65 58.04 1r2u h LYS 6 Cb 1.05 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1r2u h LYS 6 CO 0.10 1.00 -0.19 0.00 -1.08 0.00 0.00 179.45 179.28 1r2u h ALA 7 N 0.81 1.19 0.00 3.86 0.00 -1.33 -2.72 119.26 121.08 1r2u h ALA 7 Ca 0.09 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1r2u h ALA 7 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1r2u h ALA 7 CO 0.06 0.52 -0.81 0.00 0.00 0.00 0.00 179.25 179.02 1r2u h ALA 8 N 1.38 0.66 -0.42 0.00 0.00 -0.94 -3.30 119.26 116.64 1r2u h ALA 8 Ca 0.07 -0.73 0.08 0.00 0.00 0.00 0.00 54.91 54.32 1r2u h ALA 8 Cb 0.57 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1r2u h ALA 8 CO 0.04 1.00 0.01 0.28 0.00 0.00 0.00 179.25 180.58 1r2u h VAL 9 N 0.01 0.69 0.00 0.00 2.07 -0.60 0.13 116.25 118.54 1r2u h VAL 9 Ca -0.01 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1r2u h VAL 9 Cb 1.43 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1r2u h VAL 9 CO 0.11 0.02 -0.03 -0.33 0.02 0.00 0.00 177.57 177.35 1r2u h GLU 10 N 0.11 0.00 0.00 1.57 4.39 -1.63 -2.28 114.58 116.75 1r2u h GLU 10 Ca 0.21 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.68 1r2u h GLU 10 Cb 0.30 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1r2u h GLU 10 CO -0.34 0.03 -1.29 1.96 -1.16 0.00 0.00 179.01 178.21 1r2u h GLN 11 N 0.00 0.00 -6.00 2.33 4.20 -0.95 -3.45 115.11 111.25 1r2u h GLN 11 Ca -0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1r2u h GLN 11 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1r2u h GLN 11 CO 0.00 0.65 1.49 -0.51 -0.67 0.00 0.00 178.83 179.79 1r2u s LEU 12 N -6.31 3.44 0.50 1.46 1.43 0.04 -4.95 118.68 114.29 1r2u s LEU 12 Ca -0.01 1.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 1r2u s LEU 12 Cb 0.09 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1r2u s LEU 12 CO 0.81 -1.97 0.34 0.42 0.23 0.00 0.00 176.35 176.18 1r2u s THR 13 N 8.32 1.87 0.40 5.49 -4.23 -1.26 -4.98 115.64 121.26 1r2u s THR 13 Ca 0.99 -1.53 0.11 0.00 -1.18 0.00 0.00 61.69 60.08 1r2u s THR 13 Cb -0.32 -2.40 0.17 0.00 1.34 0.00 0.00 72.50 71.28 1r2u s THR 13 CO 0.35 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.81 1r2u h ASP 14 N 0.93 0.17 -0.42 3.99 3.32 -1.99 -1.12 116.42 121.31 1r2u h ASP 14 Ca -0.39 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 1r2u h ASP 14 Cb 1.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1r2u h ASP 14 CO 0.60 0.32 -0.14 1.05 -1.72 0.00 0.00 179.24 179.35 1r2u h GLU 15 N 0.17 0.83 0.07 3.56 4.11 -1.98 -0.42 114.58 120.92 1r2u h GLU 15 Ca 0.03 -0.34 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 1r2u h GLU 15 Cb 0.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1r2u h GLU 15 CO 0.02 0.97 -0.03 1.96 0.07 0.00 0.00 179.01 182.00 1r2u h GLN 16 N 0.65 -0.09 -0.64 1.06 1.08 -1.79 -1.32 115.11 114.07 1r2u h GLN 16 Ca 0.10 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 1r2u h GLN 16 Cb 0.69 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.10 1r2u h GLN 16 CO 0.05 0.20 0.42 0.87 -0.95 0.00 0.00 178.83 179.42 1r2u h LYS 17 N -0.37 0.61 -0.59 1.46 6.56 -1.22 -0.37 116.57 122.65 1r2u h LYS 17 Ca -0.01 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.46 1r2u h LYS 17 Cb 0.33 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 1r2u h LYS 17 CO 0.01 0.41 0.04 -0.91 -2.06 0.00 0.00 179.45 176.94 1r2u h ASN 18 N 0.63 0.96 0.37 0.86 2.35 -0.78 0.38 115.58 120.34 1r2u h ASN 18 Ca 0.27 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1r2u h ASN 18 Cb 0.27 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1r2u h ASN 18 CO -0.08 0.99 -0.18 -0.33 -1.65 0.00 0.00 177.43 176.18 1r2u h GLU 19 N 0.92 -0.47 -0.60 0.81 5.08 0.07 -0.37 114.58 120.02 1r2u h GLU 19 Ca 0.18 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1r2u h GLU 19 Cb 0.48 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1r2u h GLU 19 CO 0.02 -0.22 0.12 0.74 -1.00 0.00 0.00 179.01 178.68 1r2u h PHE 20 N -0.67 0.99 -0.38 4.33 0.04 -1.24 -1.07 116.94 118.95 1r2u h PHE 20 Ca -0.05 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 1r2u h PHE 20 Cb 0.48 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1r2u h PHE 20 CO -0.01 0.83 0.20 -0.22 -0.60 0.00 0.00 178.31 178.52 1r2u h LYS 21 N 0.90 0.53 -0.46 1.51 1.63 -0.16 0.14 116.57 120.66 1r2u h LYS 21 Ca 0.19 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1r2u h LYS 21 Cb 0.36 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1r2u h LYS 21 CO 0.00 0.44 0.06 0.00 -3.45 0.00 0.00 179.45 176.50 1r2u h ALA 22 N 1.06 0.62 0.00 5.00 0.00 -0.87 0.38 119.26 125.45 1r2u h ALA 22 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1r2u h ALA 22 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1r2u h ALA 22 CO -0.02 0.36 -0.11 0.00 0.00 0.00 0.00 179.25 179.48 1r2u h ALA 23 N 0.95 1.23 0.00 0.00 0.00 -0.94 -2.03 119.26 118.47 1r2u h ALA 23 Ca 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1r2u h ALA 23 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1r2u h ALA 23 CO 0.01 0.14 -0.59 0.35 0.00 0.00 0.00 179.25 179.16 1r2u h PHE 24 N 0.00 0.00 -0.86 0.00 3.57 -0.14 -3.37 116.94 116.14 1r2u h PHE 24 Ca -0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1r2u h PHE 24 Cb 0.35 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 1r2u h PHE 24 CO 0.00 0.77 0.46 -0.44 -2.23 0.00 0.00 178.31 176.87 1r2u h ASP 25 N -1.00 0.58 -0.76 0.41 5.19 -0.21 0.84 116.42 121.47 1r2u h ASP 25 Ca -0.13 0.08 0.13 0.00 -0.62 0.00 0.00 57.03 56.50 1r2u h ASP 25 Cb 0.83 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.27 1r2u h ASP 25 CO -0.08 0.26 0.50 0.16 -3.12 0.00 0.00 179.24 176.96 1r2u h ILE 26 N 0.67 0.84 0.00 0.35 3.07 -1.55 -0.82 117.51 120.06 1r2u h ILE 26 Ca 0.46 -0.17 -0.24 0.00 1.55 0.00 0.00 64.86 66.46 1r2u h ILE 26 Cb 0.63 0.29 -0.04 0.00 -0.27 0.00 0.00 36.82 37.42 1r2u h ILE 26 CO -0.34 0.09 -1.43 -0.26 -1.05 0.00 0.00 178.15 175.16 1r2u h PHE 27 N 0.51 0.00 -0.63 0.16 -1.00 -1.24 -3.34 116.94 111.40 1r2u h PHE 27 Ca 0.37 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.77 1r2u h PHE 27 Cb 0.72 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 40.10 1r2u h PHE 27 CO -0.00 0.91 0.49 -0.89 -1.61 0.00 0.00 178.31 177.21 1r2u n ILE 28 N -3.11 2.74 0.07 -0.55 2.08 0.12 -4.36 119.36 116.35 1r2u n ILE 28 Ca -0.11 -1.66 -0.05 0.00 0.56 0.00 0.00 62.75 61.50 1r2u n ILE 28 Cb 0.98 -1.01 0.14 0.00 -0.75 0.00 0.00 39.64 39.00 1r2u n ILE 28 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1r2u h GLN 29 N 1.18 0.30 -0.27 0.38 3.07 -1.55 -3.36 115.11 114.86 1r2u h GLN 29 Ca 0.39 -0.18 -0.24 0.00 0.09 0.00 0.00 58.65 58.71 1r2u h GLN 29 Cb 1.46 0.02 -0.24 0.00 0.08 0.00 0.00 27.48 28.80 1r2u h GLN 29 CO 0.87 0.75 -0.62 -0.40 0.09 0.00 0.00 178.83 179.52 1r2u n ASP 30 N -3.94 -0.59 -4.79 0.06 5.68 -1.26 -5.14 116.55 106.57 1r2u n ASP 30 Ca -0.02 -2.38 -0.31 0.00 -0.50 0.00 0.00 54.79 51.58 1r2u n ASP 30 Cb 0.57 0.39 0.08 0.00 -1.14 0.00 0.00 41.12 41.02 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r2u s ALA 31 N -1.09 2.37 -0.09 2.12 0.00 -1.26 -5.00 121.76 118.80 1r2u s ALA 31 Ca 0.20 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 1r2u s ALA 31 Cb 0.41 -3.21 -0.28 0.00 0.00 0.00 0.00 23.12 20.04 1r2u s ALA 31 CO -0.07 -1.60 0.73 0.93 0.00 0.00 0.00 175.76 175.76 1r2u h GLU 32 N -1.00 0.19 -0.21 0.00 5.08 -1.97 -3.37 114.58 113.31 1r2u h GLU 32 Ca -0.44 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 57.57 1r2u h GLU 32 Cb 1.23 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1r2u h GLU 32 CO 0.54 1.16 -0.01 -0.25 -1.00 0.00 0.00 179.01 179.46 1r2u n ASP 33 N -4.21 3.44 -2.37 1.42 8.00 -1.26 -4.95 116.55 116.62 1r2u n ASP 33 Ca -0.17 -3.09 -0.18 0.00 0.71 0.00 0.00 54.79 52.06 1r2u n ASP 33 Cb 0.75 -0.53 0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2u n GLY 34 N -0.76 -0.30 3.32 0.44 0.00 -1.26 -5.00 105.19 101.63 1r2u n GLY 34 Ca 0.21 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u s ILE 36 N -3.52 2.43 0.20 0.00 -5.25 -0.88 -4.73 121.20 109.45 1r2u s ILE 36 Ca 0.38 -1.29 -0.05 0.00 -0.99 0.00 0.00 60.65 58.70 1r2u s ILE 36 Cb 0.03 -2.72 -0.06 0.00 2.95 0.00 0.00 42.46 42.66 1r2u s ILE 36 CO 0.23 0.00 0.45 -0.55 -1.79 0.00 0.00 174.94 173.27 1r2u s SER 37 N -4.26 6.49 0.20 4.36 0.15 -1.26 -0.23 113.70 119.15 1r2u s SER 37 Ca 0.48 0.65 -0.11 0.00 0.70 0.00 0.00 55.95 57.67 1r2u s SER 37 Cb -0.04 -2.11 0.21 0.00 -1.71 0.00 0.00 66.02 62.36 1r2u s SER 37 CO 0.29 -0.04 1.80 0.71 1.20 0.00 0.00 173.24 177.20 1r2u h THR 38 N 1.81 0.96 0.00 6.45 1.35 -1.91 -0.89 112.91 120.67 1r2u h THR 38 Ca -0.47 -0.21 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 1r2u h THR 38 Cb 1.17 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1r2u h THR 38 CO 0.70 0.11 -0.24 0.07 -0.25 0.00 0.00 175.52 175.91 1r2u h LYS 39 N 0.62 0.00 -0.00 4.72 2.10 -1.94 -2.09 116.57 119.97 1r2u h LYS 39 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1r2u h LYS 39 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1r2u h LYS 39 CO -0.18 0.24 0.00 0.39 -2.00 0.00 0.00 179.45 177.90 1r2u n GLU 40 N -3.91 1.08 -0.25 0.07 1.02 -0.37 -3.79 120.64 114.50 1r2u n GLU 40 Ca -0.02 -0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 56.93 1r2u n GLU 40 Cb 0.32 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r2u h LEU 41 N 0.29 0.99 -2.38 -4.62 7.12 -1.05 -1.87 115.31 113.79 1r2u h LEU 41 Ca 0.00 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 1r2u h LEU 41 Cb 0.06 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 39.93 1r2u h LEU 41 CO 0.00 0.94 -0.03 1.23 -0.13 0.00 0.00 178.44 180.45 1r2u h GLY 42 N 1.00 0.00 1.01 3.75 0.00 -1.78 -2.51 103.07 104.54 1r2u h GLY 42 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.22 1r2u h GLY 42 CO -0.01 0.00 -1.69 0.50 0.00 0.00 0.00 176.54 175.34 1r2u h LYS 43 N 0.00 0.28 -0.26 4.80 1.57 -1.60 -3.30 116.57 118.06 1r2u h LYS 43 Ca -0.00 -0.49 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 1r2u h LYS 43 Cb 0.17 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1r2u h LYS 43 CO 0.00 1.15 -0.31 -0.39 -0.57 0.00 0.00 179.45 179.34 1r2u h VAL 44 N 0.08 1.28 -0.16 0.50 -1.51 -1.01 -2.83 116.25 112.60 1r2u h VAL 44 Ca -0.31 -1.40 -0.08 0.00 -1.23 0.00 0.00 66.70 63.68 1r2u h VAL 44 Cb 2.05 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 32.61 1r2u h VAL 44 CO 0.15 0.45 -0.25 0.24 -1.23 0.00 0.00 177.57 176.93 1r2u h MET 45 N 0.47 0.28 -0.87 5.19 2.86 -1.61 -2.61 114.93 118.64 1r2u h MET 45 Ca 0.06 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1r2u h MET 45 Cb 0.77 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1r2u h MET 45 CO 0.06 0.52 0.45 0.00 1.06 0.00 0.00 176.91 179.00 1r2u h ARG 46 N 0.26 1.23 -0.51 1.72 3.08 -1.58 -0.14 114.38 118.45 1r2u h ARG 46 Ca 0.04 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1r2u h ARG 46 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1r2u h ARG 46 CO 0.04 0.92 0.15 0.52 -1.07 0.00 0.00 179.97 180.53 1r2u h MET 47 N 1.23 0.76 0.00 0.04 2.86 -1.39 -2.99 114.93 115.43 1r2u h MET 47 Ca 0.30 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1r2u h MET 47 Cb 0.07 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1r2u h MET 47 CO -0.04 0.67 -0.00 -0.07 1.06 0.00 0.00 176.91 178.52 1r2u h LEU 48 N 0.74 -0.00 0.00 1.22 3.38 -1.17 -3.48 115.31 115.99 1r2u h LEU 48 Ca 0.17 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1r2u h LEU 48 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r2u h LEU 48 CO -0.01 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.63 1r2u n GLY 49 N 0.25 -0.42 3.21 0.83 0.00 -0.13 -5.13 105.19 103.80 1r2u n GLY 49 Ca -0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1r2u n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r2u s GLN 50 N 0.00 0.71 -0.40 1.61 -0.21 -0.91 -4.99 119.66 115.47 1r2u s GLN 50 Ca 0.00 -0.51 0.08 0.00 0.02 0.00 0.00 55.36 54.95 1r2u s GLN 50 Cb 0.00 0.30 0.26 0.00 1.00 0.00 0.00 33.01 34.57 1r2u s GLN 50 CO 0.00 -0.21 0.60 -1.71 -2.12 0.00 0.00 175.29 171.85 1r2u n ASN 51 N 0.79 -0.21 -2.06 5.90 2.85 -1.26 -3.90 115.26 117.37 1r2u n ASN 51 Ca -0.19 -2.82 0.00 0.00 -0.11 0.00 0.00 54.58 51.46 1r2u n ASN 51 Cb 0.58 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r2u n PRO 52 N 1.32 0.58 -3.37 1.20 -0.04 -1.26 -5.12 135.00 128.30 1r2u n PRO 52 Ca 0.20 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 1r2u n PRO 52 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1r2u n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r2u s THR 53 N -0.24 2.41 0.21 0.52 -4.23 -1.26 -4.97 115.64 108.08 1r2u s THR 53 Ca 0.00 -1.21 0.17 0.00 -1.18 0.00 0.00 61.69 59.47 1r2u s THR 53 Cb 0.00 -2.62 0.11 0.00 1.34 0.00 0.00 72.50 71.33 1r2u s THR 53 CO 0.00 0.00 1.73 1.55 -0.54 0.00 0.00 174.62 177.36 1r2u h PRO 54 N 0.68 0.00 0.03 3.99 0.13 -1.99 -2.29 132.00 132.54 1r2u h PRO 54 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 1r2u h PRO 54 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1r2u h PRO 54 CO 0.51 0.40 -1.27 1.05 -0.23 0.00 0.00 178.00 178.46 1r2u h GLU 55 N 0.00 0.06 0.27 0.86 4.11 -1.99 -3.08 114.58 114.81 1r2u h GLU 55 Ca -0.00 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1r2u h GLU 55 Cb 0.89 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1r2u h GLU 55 CO 0.05 0.92 -0.13 0.93 0.07 0.00 0.00 179.01 180.85 1r2u h GLU 56 N 0.02 -0.35 -0.47 1.06 4.39 -1.93 -3.02 114.58 114.27 1r2u h GLU 56 Ca -0.12 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.69 1r2u h GLU 56 Cb 1.88 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.59 1r2u h GLU 56 CO 0.13 -0.00 0.32 1.37 -1.16 0.00 0.00 179.01 179.67 1r2u h LEU 57 N -0.88 0.23 -0.31 1.33 8.10 -1.57 -1.74 115.31 120.47 1r2u h LEU 57 Ca -0.04 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.97 1r2u h LEU 57 Cb 0.51 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 1r2u h LEU 57 CO 0.06 0.15 0.16 -0.61 -4.11 0.00 0.00 178.44 174.09 1r2u h GLN 58 N 0.26 0.32 -0.42 0.17 5.75 -1.51 -0.99 115.11 118.70 1r2u h GLN 58 Ca 0.22 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1r2u h GLN 58 Cb 0.51 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1r2u h GLN 58 CO -0.04 0.21 0.12 0.93 -2.65 0.00 0.00 178.83 177.40 1r2u h GLU 59 N 0.33 0.62 -0.56 1.69 5.08 -1.19 -2.57 114.58 117.98 1r2u h GLU 59 Ca 0.13 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1r2u h GLU 59 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1r2u h GLU 59 CO -0.08 0.55 0.02 0.52 -1.00 0.00 0.00 179.01 179.02 1r2u h MET 60 N 0.61 0.98 0.00 2.33 2.86 -1.07 -2.15 114.93 118.49 1r2u h MET 60 Ca 0.14 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1r2u h MET 60 Cb 0.20 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 60 CO -0.01 0.97 0.00 -0.89 1.06 0.00 0.00 176.91 178.04 1r2u n ILE 61 N -4.26 0.00 -0.25 -1.22 5.41 -0.44 -1.18 119.36 117.41 1r2u n ILE 61 Ca 0.02 1.49 0.20 0.00 1.00 0.00 0.00 62.75 65.45 1r2u n ILE 61 Cb 0.32 -2.40 0.51 0.00 -0.71 0.00 0.00 39.64 37.36 1r2u n ILE 61 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1r2u h ASP 62 N 0.00 0.41 0.18 4.38 2.03 -1.63 0.12 116.42 121.91 1r2u h ASP 62 Ca 0.00 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 56.34 1r2u h ASP 62 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1r2u h ASP 62 CO 0.00 0.15 -0.09 -0.33 -1.03 0.00 0.00 179.24 177.95 1r2u h GLU 63 N 0.40 -0.24 0.00 4.15 5.08 -1.17 -2.79 114.58 120.01 1r2u h GLU 63 Ca 0.48 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.79 1r2u h GLU 63 Cb 1.21 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1r2u h GLU 63 CO -0.19 -0.15 -0.31 -0.39 -1.00 0.00 0.00 179.01 176.97 1r2u h VAL 64 N -0.26 0.67 -0.65 3.13 -1.51 -0.12 -3.40 116.25 114.11 1r2u h VAL 64 Ca -0.03 -1.46 -0.35 0.00 -1.23 0.00 0.00 66.70 63.64 1r2u h VAL 64 Cb 0.20 1.96 -0.05 0.00 -2.13 0.00 0.00 31.29 31.27 1r2u h VAL 64 CO 0.04 0.31 1.00 -0.62 -1.23 0.00 0.00 177.57 177.06 1r2u s ASP 65 N -6.30 5.27 0.19 4.19 -1.08 0.31 -4.61 116.67 114.64 1r2u s ASP 65 Ca 0.02 -1.23 -0.09 0.00 -0.52 0.00 0.00 52.55 50.73 1r2u s ASP 65 Cb 0.09 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 39.09 1r2u s ASP 65 CO 0.67 -2.72 1.72 -0.33 0.52 0.00 0.00 175.17 175.03 1r2u h GLU 66 N 10.35 1.10 0.17 4.34 4.39 -1.81 -3.21 114.58 129.92 1r2u h GLU 66 Ca 0.17 -0.25 -0.24 0.00 0.34 0.00 0.00 59.36 59.38 1r2u h GLU 66 Cb 0.97 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1r2u h GLU 66 CO 1.24 0.96 -1.08 0.38 -1.16 0.00 0.00 179.01 179.35 1r2u h ASP 67 N 1.04 0.57 -2.71 1.42 2.03 -1.95 -3.49 116.42 113.32 1r2u h ASP 67 Ca 0.22 -0.93 -0.04 0.00 -0.73 0.00 0.00 57.03 55.54 1r2u h ASP 67 Cb 0.33 -0.18 0.03 0.00 -0.83 0.00 0.00 39.33 38.67 1r2u h ASP 67 CO -0.00 1.51 -0.11 0.61 -1.03 0.00 0.00 179.24 180.22 1r2u n GLY 68 N 1.70 0.39 0.11 7.15 0.00 -1.21 -5.02 105.19 108.30 1r2u n GLY 68 Ca -0.16 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1r2u n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r2u n SER 69 N -1.41 1.89 0.00 1.61 3.41 -1.26 -5.04 113.62 112.82 1r2u n SER 69 Ca -0.03 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1r2u n SER 69 Cb 0.52 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1r2u n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r2u n GLY 70 N 1.42 1.20 3.78 5.00 0.00 -1.26 -5.14 105.19 110.18 1r2u n GLY 70 Ca -0.31 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1r2u n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r2u s THR 71 N 0.00 4.51 -0.29 2.61 -4.23 -1.26 -3.16 115.64 113.82 1r2u s THR 71 Ca 0.00 -0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.58 1r2u s THR 71 Cb 0.00 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1r2u s THR 71 CO 0.00 0.09 0.22 -0.69 -0.54 0.00 0.00 174.62 173.70 1r2u s VAL 72 N -1.43 5.29 0.74 2.29 1.01 0.68 -4.89 120.40 124.09 1r2u s VAL 72 Ca 0.29 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 1r2u s VAL 72 Cb -0.12 -3.57 0.16 0.00 0.00 0.00 0.00 36.38 32.85 1r2u s VAL 72 CO 0.22 0.21 1.01 0.47 0.00 0.00 0.00 175.10 177.01 1r2u n ASP 73 N 5.10 0.50 -0.02 3.32 9.92 -1.26 -2.07 116.55 132.03 1r2u n ASP 73 Ca -0.13 -1.62 -0.06 0.00 -0.53 0.00 0.00 54.79 52.45 1r2u n ASP 73 Cb 0.52 -0.73 0.13 0.00 -0.64 0.00 0.00 41.12 40.40 1r2u n ASP 73 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1r2u h PHE 74 N -1.22 0.68 -0.60 1.24 3.57 -1.98 0.17 116.94 118.80 1r2u h PHE 74 Ca -0.33 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.01 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1r2u h PHE 74 CO 0.00 0.83 0.11 -0.44 -2.23 0.00 0.00 178.31 176.58 1r2u h ASP 75 N 0.50 0.91 1.84 0.41 5.19 -1.99 0.47 116.42 123.76 1r2u h ASP 75 Ca 0.06 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1r2u h ASP 75 Cb 0.78 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1r2u h ASP 75 CO 0.06 0.90 -0.16 -0.33 -3.12 0.00 0.00 179.24 176.60 1r2u h GLU 76 N 0.91 0.00 0.11 3.56 5.08 -1.76 -2.97 114.58 119.50 1r2u h GLU 76 Ca 0.19 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.27 1r2u h GLU 76 Cb 0.37 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.65 1r2u h GLU 76 CO 0.01 0.07 -1.14 0.35 -1.00 0.00 0.00 179.01 177.30 1r2u h PHE 77 N 0.00 0.94 -0.01 4.33 3.57 0.05 -3.32 116.94 122.50 1r2u h PHE 77 Ca -0.00 -0.59 -0.21 0.00 3.53 0.00 0.00 57.97 60.69 1r2u h PHE 77 Cb 1.06 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1r2u h PHE 77 CO 0.00 1.43 -0.90 -0.07 -2.23 0.00 0.00 178.31 176.54 1r2u h LEU 78 N 0.19 0.46 -2.28 0.59 3.38 -1.00 -3.20 115.31 113.45 1r2u h LEU 78 Ca -0.17 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1r2u h LEU 78 Cb 1.83 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1r2u h LEU 78 CO 0.22 1.15 0.02 -0.37 0.09 0.00 0.00 178.44 179.55 1r2u h VAL 79 N 0.21 0.69 -1.09 1.22 -1.51 -1.64 -2.64 116.25 111.49 1r2u h VAL 79 Ca -0.06 0.00 0.39 0.00 -1.23 0.00 0.00 66.70 65.79 1r2u h VAL 79 Cb 1.52 0.98 -0.15 0.00 -2.13 0.00 0.00 31.29 31.51 1r2u h VAL 79 CO 0.15 0.00 0.64 0.24 -1.23 0.00 0.00 177.57 177.37 1r2u h MET 80 N 0.00 0.13 0.22 5.19 2.86 -1.64 0.45 114.93 122.15 1r2u h MET 80 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1r2u h MET 80 Cb 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1r2u h MET 80 CO -0.00 0.09 -0.11 0.52 1.06 0.00 0.00 176.91 178.47 1r2u h MET 81 N 0.14 -0.29 -0.19 1.72 2.86 -1.71 -2.95 114.93 114.51 1r2u h MET 81 Ca 0.80 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.43 1r2u h MET 81 Cb 2.14 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.85 1r2u h MET 81 CO -0.61 0.09 -0.00 -0.39 1.06 0.00 0.00 176.91 177.05 1r2u h VAL 82 N -0.86 1.12 0.00 -2.22 -1.51 -1.25 -1.50 116.25 110.03 1r2u h VAL 82 Ca -0.03 -0.47 -0.04 0.00 -1.23 0.00 0.00 66.70 64.93 1r2u h VAL 82 Cb 0.51 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1r2u h VAL 82 CO 0.05 0.16 -0.19 0.03 -1.23 0.00 0.00 177.57 176.39 1r2u h ARG 83 N 0.27 0.00 0.00 5.19 3.08 -0.23 -2.27 114.38 120.42 1r2u h ARG 83 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1r2u h ARG 83 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1r2u h ARG 83 CO 0.00 0.19 -0.19 0.00 -1.07 0.00 0.00 179.97 178.91 1r2u h MET 85 N 0.00 0.85 0.00 0.00 2.86 -1.47 -3.45 114.93 113.72 1r2u h MET 85 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1r2u h MET 85 Cb 0.55 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1r2u h MET 85 CO 0.02 0.56 0.00 1.63 1.06 0.00 0.00 176.91 180.19 1r2u n LYS 86 N -4.59 0.00 -1.86 1.72 4.76 -1.11 -4.86 118.16 112.22 1r2u n LYS 86 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1r2u n LYS 86 Cb 0.39 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 1r2u n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1r2u n ASP 87 N 2.71 -6.95 -4.56 4.39 -0.08 -1.26 -4.81 116.55 105.99 1r2u n ASP 87 Ca 0.00 1.20 -0.41 0.00 -1.51 0.00 0.00 54.79 54.07 1r2u n ASP 87 Cb 0.00 -3.75 -0.02 0.00 2.34 0.00 0.00 41.12 39.68 1r2u n ASP 87 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1r2u s ASP 88 N -0.39 6.53 0.00 1.67 1.01 -1.26 -5.25 116.67 118.99 1r2u s ASP 88 Ca 0.00 -1.67 0.00 0.00 0.71 0.00 0.00 52.55 51.59 1r2u s ASP 88 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1r2u s ASP 88 CO 0.00 -1.48 0.29 -0.24 0.21 0.00 0.00 175.17 173.96