#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 1.44 0.00 6.12 0.01 -1.26 -5.06 114.94 116.19 1r2u s ASN 2 Ca 0.00 -0.95 0.01 0.00 -0.71 0.00 0.00 52.86 51.21 1r2u s ASN 2 Cb 0.00 0.04 0.01 0.00 0.41 0.00 0.00 41.25 41.70 1r2u s ASN 2 CO 0.00 -0.36 0.57 -0.67 -1.51 0.00 0.00 177.10 175.12 1r2u n ASP 3 N 0.08 1.15 0.15 -1.22 2.03 -1.26 -4.64 116.55 112.85 1r2u n ASP 3 Ca -0.13 -1.11 0.02 0.00 0.52 0.00 0.00 54.79 54.10 1r2u n ASP 3 Cb 0.60 -0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.18 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1r2u h ILE 4 N 0.18 1.05 -0.16 5.18 -2.65 -1.97 -1.75 117.51 117.39 1r2u h ILE 4 Ca 0.00 -2.00 -0.16 0.00 1.03 0.00 0.00 64.86 63.73 1r2u h ILE 4 Cb 0.08 2.19 -0.01 0.00 -2.05 0.00 0.00 36.82 37.03 1r2u h ILE 4 CO 0.00 0.50 -0.56 1.88 0.03 0.00 0.00 178.15 180.00 1r2u h TYR 5 N 0.00 0.60 0.03 0.16 0.05 -1.97 0.22 116.97 116.07 1r2u h TYR 5 Ca -0.01 -0.22 -0.27 0.00 0.05 0.00 0.00 58.73 58.29 1r2u h TYR 5 Cb 1.15 -0.11 0.02 0.00 1.01 0.00 0.00 36.73 38.80 1r2u h TYR 5 CO 0.00 0.93 -1.08 0.87 -1.05 0.00 0.00 178.16 177.83 1r2u h LYS 6 N 0.37 0.65 0.00 4.88 1.79 -1.83 -1.05 116.57 121.38 1r2u h LYS 6 Ca 0.00 -0.74 -0.10 0.00 -2.18 0.00 0.00 60.65 57.63 1r2u h LYS 6 Cb 1.10 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 1r2u h LYS 6 CO 0.10 1.32 -0.49 0.00 -1.08 0.00 0.00 179.45 179.30 1r2u h ALA 7 N 0.42 0.92 0.10 3.86 0.00 -1.28 -3.19 119.26 120.09 1r2u h ALA 7 Ca -0.14 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 1r2u h ALA 7 Cb 1.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1r2u h ALA 7 CO 0.21 0.61 -1.34 0.00 0.00 0.00 0.00 179.25 178.73 1r2u h ALA 8 N 1.51 0.22 -0.65 0.00 0.00 -0.54 -3.31 119.26 116.49 1r2u h ALA 8 Ca -0.00 -0.99 0.12 0.00 0.00 0.00 0.00 54.91 54.03 1r2u h ALA 8 Cb 1.05 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1r2u h ALA 8 CO 0.06 1.09 0.44 -0.24 0.00 0.00 0.00 179.25 180.60 1r2u h VAL 9 N 0.06 0.84 0.00 0.00 3.04 -1.17 0.34 116.25 119.36 1r2u h VAL 9 Ca -0.17 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1r2u h VAL 9 Cb 1.97 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1r2u h VAL 9 CO 0.18 0.07 0.00 -0.33 -1.01 0.00 0.00 177.57 176.47 1r2u h GLU 10 N 0.36 0.00 0.11 4.17 5.08 -1.65 -3.31 114.58 119.34 1r2u h GLU 10 Ca 0.31 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.31 1r2u h GLU 10 Cb 0.72 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1r2u h GLU 10 CO -0.08 0.00 -2.02 1.04 -1.00 0.00 0.00 179.01 176.95 1r2u n GLN 11 N -2.84 0.74 -1.71 2.33 1.13 0.73 -4.91 117.38 112.85 1r2u n GLN 11 Ca 0.04 0.26 -0.43 0.00 -1.94 0.00 0.00 57.00 54.94 1r2u n GLN 11 Cb 0.48 -1.69 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 1r2u n GLN 11 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1r2u n LEU 12 N -3.51 3.90 -4.95 1.08 4.77 0.86 -4.99 117.00 114.17 1r2u n LEU 12 Ca -0.34 1.05 -0.23 0.00 -0.03 0.00 0.00 56.01 56.47 1r2u n LEU 12 Cb 1.02 -1.55 0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1r2u n LEU 12 CO 0.40 0.13 0.46 0.42 -1.33 0.00 0.00 177.39 177.47 1r2u s THR 13 N 1.33 2.68 0.30 -5.08 -4.23 -1.26 -4.95 115.64 104.42 1r2u s THR 13 Ca 0.76 -0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.88 1r2u s THR 13 Cb -0.52 -3.06 0.05 0.00 1.34 0.00 0.00 72.50 70.30 1r2u s THR 13 CO 0.33 -0.05 1.71 0.44 -0.54 0.00 0.00 174.62 176.51 1r2u h ASP 14 N -0.17 0.25 -0.33 3.99 3.32 -1.99 -2.78 116.42 118.71 1r2u h ASP 14 Ca -0.43 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 1r2u h ASP 14 Cb 1.30 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1r2u h ASP 14 CO 0.56 0.62 -0.11 1.05 -1.72 0.00 0.00 179.24 179.65 1r2u h GLU 15 N 0.20 0.77 -0.20 3.56 -0.00 -1.98 0.43 114.58 117.35 1r2u h GLU 15 Ca 0.02 -0.25 -0.02 0.00 -0.00 0.00 0.00 59.36 59.11 1r2u h GLU 15 Cb 0.79 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.46 1r2u h GLU 15 CO 0.06 0.85 0.06 1.96 -0.00 0.00 0.00 179.01 181.93 1r2u h GLN 16 N 0.69 0.32 -0.01 1.06 1.08 -1.89 -1.02 115.11 115.35 1r2u h GLN 16 Ca 0.12 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 1r2u h GLN 16 Cb 0.58 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1r2u h GLN 16 CO 0.04 0.43 -0.46 0.87 -0.95 0.00 0.00 178.83 178.76 1r2u h LYS 17 N 0.15 0.01 -0.56 1.46 6.56 -1.39 -0.98 116.57 121.82 1r2u h LYS 17 Ca 0.06 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.59 1r2u h LYS 17 Cb 0.25 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1r2u h LYS 17 CO -0.00 0.47 0.11 -0.91 -2.06 0.00 0.00 179.45 177.06 1r2u h ASN 18 N 0.01 0.87 -0.25 0.86 2.35 -0.58 0.33 115.58 119.19 1r2u h ASN 18 Ca -0.00 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.40 1r2u h ASN 18 Cb 0.82 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1r2u h ASN 18 CO 0.06 0.90 -0.23 -0.33 -1.65 0.00 0.00 177.43 176.18 1r2u h GLU 19 N 0.81 0.59 -0.32 0.81 5.08 -0.95 -0.74 114.58 119.85 1r2u h GLU 19 Ca 0.17 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1r2u h GLU 19 Cb 0.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1r2u h GLU 19 CO 0.01 0.90 0.17 0.74 -1.00 0.00 0.00 179.01 179.82 1r2u h PHE 20 N 0.30 0.45 0.12 4.33 -1.00 -1.01 0.24 116.94 120.38 1r2u h PHE 20 Ca 0.04 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1r2u h PHE 20 Cb 0.78 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1r2u h PHE 20 CO 0.07 0.38 -0.06 -0.22 -1.61 0.00 0.00 178.31 176.88 1r2u h LYS 21 N 0.39 -0.16 -0.43 1.51 3.11 -0.34 -1.27 116.57 119.39 1r2u h LYS 21 Ca 0.11 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.00 1r2u h LYS 21 Cb 0.09 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.32 1r2u h LYS 21 CO -0.02 0.12 0.20 0.00 -2.81 0.00 0.00 179.45 176.94 1r2u h ALA 22 N 0.39 0.53 0.00 5.00 0.00 -1.09 0.46 119.26 124.56 1r2u h ALA 22 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r2u h ALA 22 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1r2u h ALA 22 CO 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.10 1r2u h ALA 23 N 1.24 1.08 0.00 0.00 0.00 -0.45 -1.59 119.26 119.54 1r2u h ALA 23 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1r2u h ALA 23 Cb 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1r2u h ALA 23 CO -0.15 0.01 -0.77 0.35 0.00 0.00 0.00 179.25 178.69 1r2u h PHE 24 N 0.00 0.00 -0.03 0.00 3.57 0.32 -3.39 116.94 117.42 1r2u h PHE 24 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1r2u h PHE 24 Cb 0.12 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1r2u h PHE 24 CO 0.00 0.53 0.02 0.38 -2.23 0.00 0.00 178.31 177.01 1r2u h ASP 25 N -1.00 0.00 -0.82 0.41 3.04 -0.12 -0.41 116.42 117.52 1r2u h ASP 25 Ca -0.12 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.70 1r2u h ASP 25 Cb 0.78 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.03 1r2u h ASP 25 CO -0.08 0.00 0.54 0.16 -2.04 0.00 0.00 179.24 177.82 1r2u h ILE 26 N 0.00 1.14 0.03 4.15 3.07 -1.48 0.15 117.51 124.56 1r2u h ILE 26 Ca 0.01 -0.35 -0.27 0.00 1.55 0.00 0.00 64.86 65.80 1r2u h ILE 26 Cb 0.06 0.03 -0.04 0.00 -0.27 0.00 0.00 36.82 36.60 1r2u h ILE 26 CO -0.00 0.19 -1.48 -0.26 -1.05 0.00 0.00 178.15 175.55 1r2u h PHE 27 N 1.02 0.10 -0.74 0.16 0.04 -1.51 -3.33 116.94 112.68 1r2u h PHE 27 Ca 0.32 -0.07 -0.42 0.00 2.80 0.00 0.00 57.97 60.60 1r2u h PHE 27 Cb 0.02 -0.00 -0.23 0.00 2.20 0.00 0.00 35.95 37.94 1r2u h PHE 27 CO -0.00 1.10 0.53 -0.89 -0.60 0.00 0.00 178.31 178.45 1r2u n ILE 28 N -3.22 2.79 -0.06 -0.55 2.08 -0.25 -4.39 119.36 115.76 1r2u n ILE 28 Ca -0.12 -1.66 -0.09 0.00 0.56 0.00 0.00 62.75 61.44 1r2u n ILE 28 Cb 1.02 -0.78 0.07 0.00 -0.75 0.00 0.00 39.64 39.20 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 1.01 0.72 -0.28 0.38 3.07 -1.10 -3.36 115.11 115.55 1r2u h GLN 29 Ca 0.47 -0.35 -0.22 0.00 0.09 0.00 0.00 58.65 58.64 1r2u h GLN 29 Cb 1.99 -0.00 -0.29 0.00 0.08 0.00 0.00 27.48 29.25 1r2u h GLN 29 CO 0.92 0.96 -0.75 -0.25 0.09 0.00 0.00 178.83 179.80 1r2u n ASP 30 N -4.06 0.19 -4.76 0.06 8.00 -1.26 -5.12 116.55 109.60 1r2u n ASP 30 Ca -0.01 -2.17 -0.35 0.00 0.71 0.00 0.00 54.79 52.97 1r2u n ASP 30 Cb 0.50 0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r2u s ALA 31 N -2.02 2.55 0.02 2.24 0.00 -1.26 -4.96 121.76 118.33 1r2u s ALA 31 Ca 0.20 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.81 1r2u s ALA 31 Cb 0.38 -3.41 -0.18 0.00 0.00 0.00 0.00 23.12 19.92 1r2u s ALA 31 CO -0.07 -1.10 1.40 0.93 0.00 0.00 0.00 175.76 176.92 1r2u h GLU 32 N 0.81 0.05 0.00 0.00 4.39 -1.96 -3.33 114.58 114.54 1r2u h GLU 32 Ca -0.50 -0.02 -0.34 0.00 0.34 0.00 0.00 59.36 58.84 1r2u h GLU 32 Cb 1.28 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 1r2u h GLU 32 CO 0.55 0.39 -2.15 -0.25 -1.16 0.00 0.00 179.01 176.39 1r2u n ASP 33 N -4.88 0.37 0.00 1.42 9.92 -1.26 -5.01 116.55 117.11 1r2u n ASP 33 Ca -0.08 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1r2u n ASP 33 Cb 0.20 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.25 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r2u n GLY 34 N 1.69 1.68 3.46 0.44 0.00 -1.25 -5.12 105.19 106.08 1r2u n GLY 34 Ca -0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.30 2.21 0.20 0.00 -5.25 -0.85 -4.84 121.20 109.37 1r2u s ILE 36 Ca 0.31 -1.26 -0.05 0.00 -0.99 0.00 0.00 60.65 58.66 1r2u s ILE 36 Cb 0.00 -2.47 -0.06 0.00 2.95 0.00 0.00 42.46 42.89 1r2u s ILE 36 CO 0.19 0.00 0.45 -0.55 -1.79 0.00 0.00 174.94 173.24 1r2u s SER 37 N -4.36 6.49 0.17 4.36 0.15 -1.26 -0.42 113.70 118.83 1r2u s SER 37 Ca 0.48 0.65 -0.13 0.00 0.70 0.00 0.00 55.95 57.64 1r2u s SER 37 Cb -0.04 -2.11 0.06 0.00 -1.71 0.00 0.00 66.02 62.22 1r2u s SER 37 CO 0.29 -0.04 1.79 0.71 1.20 0.00 0.00 173.24 177.19 1r2u h THR 38 N 1.80 1.18 -0.04 6.45 1.35 -1.93 -1.73 112.91 119.98 1r2u h THR 38 Ca -0.47 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1r2u h THR 38 Cb 1.18 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1r2u h THR 38 CO 0.70 0.19 0.00 0.29 -0.25 0.00 0.00 175.52 176.45 1r2u n LYS 39 N -4.63 1.29 0.00 4.72 4.76 -1.26 -3.36 118.16 119.68 1r2u n LYS 39 Ca 0.03 -0.43 0.12 0.00 -2.87 0.00 0.00 58.31 55.16 1r2u n LYS 39 Cb 0.08 -1.40 0.10 0.00 -1.84 0.00 0.00 35.03 31.97 1r2u n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1r2u n GLU 40 N -0.41 1.69 0.19 1.97 -0.58 -0.66 -4.31 120.64 118.52 1r2u n GLU 40 Ca 0.18 -1.35 0.06 0.00 -0.42 0.00 0.00 57.16 55.62 1r2u n GLU 40 Cb 0.19 -1.47 0.52 0.00 -0.57 0.00 0.00 31.44 30.11 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r2u h LEU 41 N 3.30 0.11 -1.51 -4.62 5.85 -1.55 -1.44 115.31 115.46 1r2u h LEU 41 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1r2u h LEU 41 Cb 0.83 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1r2u h LEU 41 CO 0.00 0.18 0.00 1.23 -0.34 0.00 0.00 178.44 179.51 1r2u h GLY 42 N 0.38 0.00 1.12 3.75 0.00 -1.85 -2.00 103.07 104.47 1r2u h GLY 42 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.04 1r2u h GLY 42 CO 0.01 0.00 -1.62 0.50 0.00 0.00 0.00 176.54 175.43 1r2u h LYS 43 N 0.00 0.23 0.02 4.80 1.79 -1.57 -3.33 116.57 118.51 1r2u h LYS 43 Ca 0.00 -0.39 -0.21 0.00 -2.18 0.00 0.00 60.65 57.87 1r2u h LYS 43 Cb 0.12 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1r2u h LYS 43 CO 0.00 1.07 -0.95 -0.39 -1.08 0.00 0.00 179.45 178.10 1r2u h VAL 44 N 0.06 1.57 -0.54 0.50 -1.51 -1.46 -3.22 116.25 111.65 1r2u h VAL 44 Ca -0.27 -2.94 0.01 0.00 -1.23 0.00 0.00 66.70 62.26 1r2u h VAL 44 Cb 2.02 2.65 -0.03 0.00 -2.13 0.00 0.00 31.29 33.80 1r2u h VAL 44 CO 0.14 0.85 0.36 0.24 -1.23 0.00 0.00 177.57 177.93 1r2u h MET 45 N 0.05 0.71 -0.39 5.19 2.86 -1.53 0.28 114.93 122.11 1r2u h MET 45 Ca -0.04 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 1r2u h MET 45 Cb 1.63 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 1r2u h MET 45 CO 0.14 0.47 -0.17 0.00 1.06 0.00 0.00 176.91 178.41 1r2u h ARG 46 N 0.73 0.74 0.12 1.72 3.08 -1.62 0.21 114.38 119.36 1r2u h ARG 46 Ca 0.20 -0.27 -0.29 0.00 0.07 0.00 0.00 59.98 59.70 1r2u h ARG 46 Cb -0.08 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 29.94 1r2u h ARG 46 CO -0.04 0.86 -1.22 0.52 -1.07 0.00 0.00 179.97 179.02 1r2u h MET 47 N 0.66 0.50 -0.45 0.04 2.86 -1.36 -3.32 114.93 113.87 1r2u h MET 47 Ca 0.10 -0.70 -0.05 0.00 -2.06 0.00 0.00 59.70 56.99 1r2u h MET 47 Cb 0.65 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1r2u h MET 47 CO 0.05 1.30 0.07 1.25 1.06 0.00 0.00 176.91 180.64 1r2u h LEU 48 N 0.21 0.71 0.00 1.22 5.85 -0.39 -3.47 115.31 119.44 1r2u h LEU 48 Ca -0.17 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1r2u h LEU 48 Cb 1.90 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1r2u h LEU 48 CO 0.22 0.79 0.00 0.61 -0.34 0.00 0.00 178.44 179.72 1r2u n GLY 49 N -0.52 0.33 3.37 3.75 0.00 -0.40 -5.09 105.19 106.64 1r2u n GLY 49 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 1.00 -0.42 1.61 -0.21 0.59 -5.02 119.66 117.20 1r2u s GLN 50 Ca 0.00 -0.26 0.07 0.00 0.02 0.00 0.00 55.36 55.19 1r2u s GLN 50 Cb 0.00 0.45 0.24 0.00 1.00 0.00 0.00 33.01 34.71 1r2u s GLN 50 CO 0.00 -0.35 0.53 -1.71 -2.12 0.00 0.00 175.29 171.64 1r2u n ASN 51 N 0.45 0.58 -2.13 5.90 2.85 -1.26 -3.62 115.26 118.03 1r2u n ASN 51 Ca -0.18 -2.76 0.00 0.00 -0.11 0.00 0.00 54.58 51.52 1r2u n ASN 51 Cb 0.60 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.98 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 1.45 0.44 -3.97 1.20 -0.04 -1.26 -5.12 135.00 127.70 1r2u n PRO 52 Ca 0.23 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1r2u n PRO 52 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.44 2.05 0.13 0.52 -4.23 -1.26 -4.98 115.64 107.43 1r2u s THR 53 Ca 0.00 -1.57 0.17 0.00 -1.18 0.00 0.00 61.69 59.11 1r2u s THR 53 Cb 0.00 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.32 1r2u s THR 53 CO 0.00 0.00 1.66 1.55 -0.54 0.00 0.00 174.62 177.29 1r2u h PRO 54 N 1.08 0.00 0.20 3.99 0.13 -2.00 -1.91 132.00 133.50 1r2u h PRO 54 Ca -0.40 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.40 1r2u h PRO 54 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 1r2u h PRO 54 CO 0.63 0.44 -1.56 0.93 -0.23 0.00 0.00 178.00 178.21 1r2u h GLU 55 N 0.00 0.43 0.43 0.86 5.08 -1.98 -2.88 114.58 116.50 1r2u h GLU 55 Ca -0.00 -0.73 -0.02 0.00 -1.00 0.00 0.00 59.36 57.61 1r2u h GLU 55 Cb 1.02 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1r2u h GLU 55 CO 0.06 1.35 -0.21 0.93 -1.00 0.00 0.00 179.01 180.14 1r2u h GLU 56 N 0.04 -0.55 -0.11 2.33 5.08 -1.96 -2.77 114.58 116.65 1r2u h GLU 56 Ca -0.30 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1r2u h GLU 56 Cb 2.06 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.42 1r2u h GLU 56 CO 0.20 -0.28 -0.03 1.37 -1.00 0.00 0.00 179.01 179.27 1r2u h LEU 57 N -0.77 0.14 -0.53 1.33 -0.00 -1.51 -2.56 115.31 111.41 1r2u h LEU 57 Ca -0.06 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1r2u h LEU 57 Cb 0.53 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 1r2u h LEU 57 CO 0.10 0.20 0.32 1.56 -0.00 0.00 0.00 178.44 180.61 1r2u h GLN 58 N 0.15 0.61 -0.97 0.17 1.08 -1.34 -1.41 115.11 113.40 1r2u h GLN 58 Ca 0.04 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1r2u h GLN 58 Cb 0.16 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 1r2u h GLN 58 CO 0.01 0.40 0.64 0.93 -0.95 0.00 0.00 178.83 179.86 1r2u h GLU 59 N 0.63 1.27 -0.29 1.46 5.08 -1.18 -2.56 114.58 118.99 1r2u h GLU 59 Ca 0.21 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1r2u h GLU 59 Cb 0.02 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1r2u h GLU 59 CO -0.09 0.84 0.04 0.52 -1.00 0.00 0.00 179.01 179.32 1r2u h MET 60 N 1.31 0.48 0.01 2.33 2.86 -1.36 -1.90 114.93 118.66 1r2u h MET 60 Ca 0.36 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1r2u h MET 60 Cb -0.14 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 1r2u h MET 60 CO -0.08 0.59 -0.02 0.82 1.06 0.00 0.00 176.91 179.29 1r2u h ILE 61 N 0.30 0.00 -0.88 -1.22 2.04 -0.92 -0.28 117.51 116.55 1r2u h ILE 61 Ca 0.09 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.15 1r2u h ILE 61 Cb 0.35 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1r2u h ILE 61 CO 0.01 0.00 0.59 0.44 0.00 0.00 0.00 178.15 179.18 1r2u h ASP 62 N -0.03 0.35 -0.18 1.72 5.19 -1.57 -0.12 116.42 121.78 1r2u h ASP 62 Ca -0.00 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1r2u h ASP 62 Cb 0.03 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1r2u h ASP 62 CO -0.00 0.14 0.05 -0.33 -3.12 0.00 0.00 179.24 175.98 1r2u h GLU 63 N 0.36 0.28 0.00 3.56 4.39 -1.00 -2.94 114.58 119.22 1r2u h GLU 63 Ca 0.45 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1r2u h GLU 63 Cb 1.19 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1r2u h GLU 63 CO -0.15 0.40 0.00 -0.39 -1.16 0.00 0.00 179.01 177.71 1r2u h VAL 64 N 0.11 0.00 -0.65 3.13 -1.51 0.03 -3.41 116.25 113.95 1r2u h VAL 64 Ca 0.06 -0.51 -0.37 0.00 -1.23 0.00 0.00 66.70 64.65 1r2u h VAL 64 Cb 0.24 1.47 -0.05 0.00 -2.13 0.00 0.00 31.29 30.82 1r2u h VAL 64 CO -0.00 0.00 1.06 -0.62 -1.23 0.00 0.00 177.57 176.78 1r2u s ASP 65 N -4.75 5.34 0.21 4.19 -1.08 -0.16 -4.60 116.67 115.81 1r2u s ASP 65 Ca 0.09 -1.32 -0.07 0.00 -0.52 0.00 0.00 52.55 50.73 1r2u s ASP 65 Cb 0.11 -2.58 0.16 0.00 -1.46 0.00 0.00 42.92 39.15 1r2u s ASP 65 CO 0.58 -2.67 1.70 -0.33 0.52 0.00 0.00 175.17 174.97 1r2u h GLU 66 N 10.17 1.04 0.12 4.34 5.08 -1.85 -3.21 114.58 130.28 1r2u h GLU 66 Ca 0.19 -0.28 -0.32 0.00 -1.00 0.00 0.00 59.36 57.95 1r2u h GLU 66 Cb 0.96 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1r2u h GLU 66 CO 1.25 0.97 -1.64 0.38 -1.00 0.00 0.00 179.01 178.98 1r2u h ASP 67 N 0.98 0.39 -3.24 1.42 3.04 -1.97 -3.49 116.42 113.55 1r2u h ASP 67 Ca 0.19 -0.61 -0.14 0.00 -3.24 0.00 0.00 57.03 53.24 1r2u h ASP 67 Cb 0.45 -0.13 0.06 0.00 -1.04 0.00 0.00 39.33 38.67 1r2u h ASP 67 CO 0.02 1.51 -0.29 0.61 -2.04 0.00 0.00 179.24 179.05 1r2u n GLY 68 N 1.73 0.21 0.09 7.15 0.00 -1.21 -4.99 105.19 108.17 1r2u n GLY 68 Ca -0.20 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1r2u n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r2u h SER 69 N -0.83 0.00 0.00 1.61 4.64 -1.94 -3.49 113.55 113.54 1r2u h SER 69 Ca -0.23 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 1r2u h SER 69 Cb 1.13 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1r2u h SER 69 CO 0.20 1.35 0.00 0.61 -0.87 0.00 0.00 176.83 178.12 1r2u n GLY 70 N 1.49 1.10 3.70 -0.77 0.00 -1.26 -5.14 105.19 104.32 1r2u n GLY 70 Ca -0.25 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 4.06 -0.24 2.61 -4.23 -1.26 -3.52 115.64 113.07 1r2u s THR 71 Ca 0.00 -1.06 -0.15 0.00 -1.18 0.00 0.00 61.69 59.30 1r2u s THR 71 Cb 0.00 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1r2u s THR 71 CO 0.00 0.05 0.36 -0.69 -0.54 0.00 0.00 174.62 173.80 1r2u s VAL 72 N -1.45 5.21 0.75 2.29 1.01 0.44 -4.88 120.40 123.77 1r2u s VAL 72 Ca 0.27 0.58 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1r2u s VAL 72 Cb -0.11 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.67 1r2u s VAL 72 CO 0.19 0.22 1.06 -1.81 0.00 0.00 0.00 175.10 174.77 1r2u s ASP 73 N 1.29 4.52 0.36 3.32 1.11 -1.26 -2.00 116.67 124.02 1r2u s ASP 73 Ca 0.16 0.37 0.06 0.00 0.18 0.00 0.00 52.55 53.32 1r2u s ASP 73 Cb -0.15 -0.90 0.67 0.00 1.07 0.00 0.00 42.92 43.62 1r2u s ASP 73 CO 0.08 -1.79 1.89 0.15 1.18 0.00 0.00 175.17 176.68 1r2u h PHE 74 N -0.76 0.43 -0.50 4.23 3.57 -1.98 0.20 116.94 122.14 1r2u h PHE 74 Ca -0.44 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 60.89 1r2u h PHE 74 Cb 1.30 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1r2u h PHE 74 CO 0.08 0.47 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.99 1r2u h ASP 75 N 0.40 1.04 1.16 0.41 5.19 -1.99 -0.99 116.42 121.64 1r2u h ASP 75 Ca 0.09 -0.39 -0.08 0.00 -0.62 0.00 0.00 57.03 56.02 1r2u h ASP 75 Cb 0.34 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1r2u h ASP 75 CO 0.01 1.19 -0.40 -0.33 -3.12 0.00 0.00 179.24 176.59 1r2u h GLU 76 N 0.88 0.00 -0.01 3.56 5.08 -1.68 -2.26 114.58 120.14 1r2u h GLU 76 Ca 0.12 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 1r2u h GLU 76 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1r2u h GLU 76 CO 0.06 0.40 -0.93 0.35 -1.00 0.00 0.00 179.01 177.90 1r2u h PHE 77 N 0.00 0.69 0.22 4.33 3.57 -0.32 -3.25 116.94 122.18 1r2u h PHE 77 Ca -0.00 -0.37 -0.32 0.00 3.53 0.00 0.00 57.97 60.81 1r2u h PHE 77 Cb 1.09 -0.08 0.03 0.00 2.79 0.00 0.00 35.95 39.78 1r2u h PHE 77 CO 0.00 1.18 -1.44 -0.07 -2.23 0.00 0.00 178.31 175.75 1r2u h LEU 78 N 0.27 0.73 -2.08 0.59 3.38 -1.17 -3.28 115.31 113.76 1r2u h LEU 78 Ca -0.08 -0.80 0.07 0.00 0.09 0.00 0.00 57.88 57.16 1r2u h LEU 78 Cb 1.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1r2u h LEU 78 CO 0.17 1.63 0.21 -0.37 0.09 0.00 0.00 178.44 180.16 1r2u h VAL 79 N 0.13 0.72 -1.11 1.22 -1.51 -1.51 -2.41 116.25 111.77 1r2u h VAL 79 Ca -0.23 0.00 0.44 0.00 -1.23 0.00 0.00 66.70 65.67 1r2u h VAL 79 Cb 2.12 0.85 -0.17 0.00 -2.13 0.00 0.00 31.29 31.96 1r2u h VAL 79 CO 0.25 0.00 0.64 0.24 -1.23 0.00 0.00 177.57 177.47 1r2u h MET 80 N 0.00 0.01 0.72 5.19 2.86 -1.62 0.84 114.93 122.93 1r2u h MET 80 Ca 0.12 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1r2u h MET 80 Cb 0.54 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.20 1r2u h MET 80 CO -0.00 0.00 -0.34 0.52 1.06 0.00 0.00 176.91 178.15 1r2u h MET 81 N 0.01 -0.93 0.00 1.72 2.86 -1.68 -3.00 114.93 113.91 1r2u h MET 81 Ca 0.86 0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 58.49 1r2u h MET 81 Cb 2.41 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 34.27 1r2u h MET 81 CO -0.68 -0.62 -0.34 -0.39 1.06 0.00 0.00 176.91 175.93 1r2u h VAL 82 N -1.04 1.03 0.00 -2.22 -1.51 -1.24 -2.67 116.25 108.60 1r2u h VAL 82 Ca -0.10 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1r2u h VAL 82 Cb 0.74 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1r2u h VAL 82 CO 0.16 0.34 0.00 0.03 -1.23 0.00 0.00 177.57 176.87 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 2.47 0.64 -0.54 114.38 122.14 1r2u h ARG 83 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1r2u h ARG 83 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1r2u h ARG 83 CO 0.04 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.57 1r2u h MET 85 N 0.00 0.25 -4.41 0.00 -0.00 -1.29 -3.47 114.93 106.01 1r2u h MET 85 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1r2u h MET 85 Cb 0.35 -0.06 -0.07 0.00 -0.00 0.00 0.00 31.60 31.82 1r2u h MET 85 CO 0.00 0.16 -1.11 1.63 -0.00 0.00 0.00 176.91 177.60 1r2u n LYS 86 N -4.62 -3.79 0.00 -0.10 5.02 -1.20 -4.35 118.16 109.12 1r2u n LYS 86 Ca 0.30 2.92 0.00 0.00 -2.02 0.00 0.00 58.31 59.51 1r2u n LYS 86 Cb 1.10 -4.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r2u n ASP 87 N 1.37 0.00 -3.40 4.39 8.00 -1.26 -4.71 116.55 120.94 1r2u n ASP 87 Ca -0.23 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.08 1r2u n ASP 87 Cb 0.35 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.54 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1r2u n ASP 88 N 2.31 -3.76 -0.91 -2.24 2.03 -1.26 -5.20 116.55 107.52 1r2u n ASP 88 Ca 0.00 -0.57 0.12 0.00 0.52 0.00 0.00 54.79 54.87 1r2u n ASP 88 Cb 0.00 -4.92 0.15 0.00 -0.72 0.00 0.00 41.12 35.62 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08