#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 0.74 -0.14 7.83 -0.87 -1.26 -5.05 114.94 116.20 1r2u s ASN 2 Ca 0.00 -0.44 0.19 0.00 -1.57 0.00 0.00 52.86 51.04 1r2u s ASN 2 Cb 0.00 0.02 -0.26 0.00 -0.02 0.00 0.00 41.25 40.98 1r2u s ASN 2 CO 0.00 -0.15 0.24 -0.67 -2.57 0.00 0.00 177.10 173.94 1r2u n ASP 3 N 1.81 0.08 0.18 -1.22 -0.08 -1.26 -4.28 116.55 111.78 1r2u n ASP 3 Ca -0.21 0.04 0.07 0.00 -1.51 0.00 0.00 54.79 53.18 1r2u n ASP 3 Cb 0.55 1.16 0.17 0.00 2.34 0.00 0.00 41.12 45.34 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1r2u h ILE 4 N 0.00 0.50 -0.12 5.18 -0.00 -1.97 -2.90 117.51 118.20 1r2u h ILE 4 Ca -0.38 -1.58 -0.05 0.00 -0.00 0.00 0.00 64.86 62.84 1r2u h ILE 4 Cb 1.89 2.15 -0.01 0.00 -0.00 0.00 0.00 36.82 40.85 1r2u h ILE 4 CO 0.03 0.27 -0.16 1.88 -0.00 0.00 0.00 178.15 180.17 1r2u h TYR 5 N 0.00 0.20 0.20 0.16 -1.99 -1.91 0.53 116.97 114.15 1r2u h TYR 5 Ca -0.00 -0.02 -0.30 0.00 2.00 0.00 0.00 58.73 60.41 1r2u h TYR 5 Cb 1.12 -0.06 0.03 0.00 2.00 0.00 0.00 36.73 39.83 1r2u h TYR 5 CO 0.00 0.35 -1.29 0.87 -0.00 0.00 0.00 178.16 178.09 1r2u h LYS 6 N 0.18 0.53 -0.18 4.88 1.79 -1.74 -2.49 116.57 119.53 1r2u h LYS 6 Ca 0.04 -0.83 -0.08 0.00 -2.18 0.00 0.00 60.65 57.60 1r2u h LYS 6 Cb 0.39 0.30 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1r2u h LYS 6 CO 0.02 1.39 -0.24 0.00 -1.08 0.00 0.00 179.45 179.55 1r2u h ALA 7 N 0.18 1.27 -0.29 3.86 0.00 -1.25 -2.79 119.26 120.24 1r2u h ALA 7 Ca -0.22 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 1r2u h ALA 7 Cb 2.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1r2u h ALA 7 CO 0.24 0.49 -0.52 0.00 0.00 0.00 0.00 179.25 179.46 1r2u h ALA 8 N 1.47 0.53 -0.55 0.00 0.00 0.03 -3.12 119.26 117.61 1r2u h ALA 8 Ca 0.05 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1r2u h ALA 8 Cb 0.58 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1r2u h ALA 8 CO 0.04 0.68 0.09 0.28 0.00 0.00 0.00 179.25 180.34 1r2u h VAL 9 N 0.65 0.66 0.00 0.00 2.07 -1.16 0.33 116.25 118.79 1r2u h VAL 9 Ca 0.02 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1r2u h VAL 9 Cb 1.12 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1r2u h VAL 9 CO 0.12 0.04 -0.00 -0.33 0.02 0.00 0.00 177.57 177.42 1r2u h GLU 10 N 0.22 0.00 0.07 1.57 4.39 -1.53 -3.04 114.58 116.26 1r2u h GLU 10 Ca 0.28 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.74 1r2u h GLU 10 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1r2u h GLU 10 CO -0.38 0.00 -1.26 1.96 -1.16 0.00 0.00 179.01 178.17 1r2u h GLN 11 N 0.00 0.14 -7.56 2.33 1.08 -0.47 -3.48 115.11 107.16 1r2u h GLN 11 Ca -0.00 -0.24 -0.46 0.00 -1.45 0.00 0.00 58.65 56.50 1r2u h GLN 11 Cb 0.31 0.09 0.13 0.00 -0.05 0.00 0.00 27.48 27.96 1r2u h GLN 11 CO 0.00 1.12 0.33 -0.48 -0.95 0.00 0.00 178.83 178.84 1r2u s LEU 12 N -7.68 2.10 0.42 1.46 0.05 0.73 -5.10 118.68 110.66 1r2u s LEU 12 Ca -0.23 0.80 0.03 0.00 0.05 0.00 0.00 54.13 54.79 1r2u s LEU 12 Cb 0.04 -3.07 -0.04 0.00 -2.05 0.00 0.00 46.19 41.07 1r2u s LEU 12 CO 0.70 -2.58 0.06 0.42 -0.55 0.00 0.00 176.35 174.41 1r2u s THR 13 N -3.40 1.09 0.50 5.48 -4.23 -1.26 -4.90 115.64 108.92 1r2u s THR 13 Ca 0.65 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.33 1r2u s THR 13 Cb -0.12 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.47 1r2u s THR 13 CO 0.53 0.00 2.10 -0.78 -0.54 0.00 0.00 174.62 175.93 1r2u h ASP 14 N 1.75 0.00 -0.96 3.99 3.58 -1.99 -2.20 116.42 120.59 1r2u h ASP 14 Ca -0.40 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.12 1r2u h ASP 14 Cb 1.27 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.25 1r2u h ASP 14 CO 0.68 0.07 0.61 -0.33 -2.88 0.00 0.00 179.24 177.39 1r2u h GLU 15 N 0.00 1.05 -0.33 0.28 4.39 -1.99 0.11 114.58 118.09 1r2u h GLU 15 Ca -0.00 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1r2u h GLU 15 Cb 0.12 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1r2u h GLU 15 CO 0.01 0.69 0.08 -0.56 -1.16 0.00 0.00 179.01 178.08 1r2u h GLN 16 N 1.08 0.48 -0.01 2.33 -0.00 -1.80 -1.15 115.11 116.04 1r2u h GLN 16 Ca 0.43 -0.07 -0.18 0.00 -0.00 0.00 0.00 58.65 58.83 1r2u h GLN 16 Cb 0.24 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.62 1r2u h GLN 16 CO -0.19 0.44 -0.81 0.87 -0.00 0.00 0.00 178.83 179.14 1r2u h LYS 17 N 0.48 0.18 -0.72 0.06 6.56 -1.15 -1.50 116.57 120.48 1r2u h LYS 17 Ca 0.11 -0.18 -0.03 0.00 -1.06 0.00 0.00 60.65 59.49 1r2u h LYS 17 Cb 0.18 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.85 1r2u h LYS 17 CO -0.00 0.89 0.31 -0.91 -2.06 0.00 0.00 179.45 177.68 1r2u h ASN 18 N 0.11 0.97 -0.22 0.86 2.35 0.20 0.40 115.58 120.24 1r2u h ASN 18 Ca -0.03 -0.15 -0.17 0.00 -0.55 0.00 0.00 56.30 55.39 1r2u h ASN 18 Cb 1.42 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1r2u h ASN 18 CO 0.12 0.85 -0.53 -0.33 -1.65 0.00 0.00 177.43 175.90 1r2u h GLU 19 N 1.02 0.75 -0.49 0.81 4.39 -1.21 -2.09 114.58 117.75 1r2u h GLU 19 Ca 0.24 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1r2u h GLU 19 Cb 0.17 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1r2u h GLU 19 CO -0.03 1.13 0.23 0.74 -1.16 0.00 0.00 179.01 179.93 1r2u h PHE 20 N 0.48 0.72 0.24 4.33 -1.00 -0.95 0.20 116.94 120.96 1r2u h PHE 20 Ca -0.00 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 1r2u h PHE 20 Cb 1.14 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.48 1r2u h PHE 20 CO 0.08 0.57 -0.12 -0.22 -1.61 0.00 0.00 178.31 177.02 1r2u h LYS 21 N 0.66 -0.31 -0.51 1.51 1.63 -0.21 -0.95 116.57 118.39 1r2u h LYS 21 Ca 0.17 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.02 1r2u h LYS 21 Cb 0.13 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 1r2u h LYS 21 CO -0.02 -0.16 0.29 0.00 -3.45 0.00 0.00 179.45 176.11 1r2u h ALA 22 N 0.36 0.65 0.00 5.00 0.00 -1.26 0.15 119.26 124.17 1r2u h ALA 22 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r2u h ALA 22 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1r2u h ALA 22 CO 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1r2u h ALA 23 N 1.24 1.00 0.00 0.00 0.00 -0.42 -1.63 119.26 119.45 1r2u h ALA 23 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1r2u h ALA 23 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1r2u h ALA 23 CO -0.11 0.00 -0.97 0.34 0.00 0.00 0.00 179.25 178.51 1r2u n PHE 24 N -2.73 0.86 0.26 0.00 7.35 -0.10 -4.34 117.46 118.77 1r2u n PHE 24 Ca -0.01 0.38 0.09 0.00 -0.76 0.00 0.00 57.45 57.14 1r2u n PHE 24 Cb 0.13 -0.91 0.68 0.00 0.35 0.00 0.00 39.48 39.73 1r2u n PHE 24 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1r2u h ASP 25 N -1.00 0.00 -0.90 -2.13 3.04 -0.71 -0.43 116.42 114.30 1r2u h ASP 25 Ca -0.19 0.00 0.09 0.00 -3.24 0.00 0.00 57.03 53.69 1r2u h ASP 25 Cb 0.94 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.16 1r2u h ASP 25 CO -0.11 0.03 0.58 0.16 -2.04 0.00 0.00 179.24 177.85 1r2u h ILE 26 N 0.00 1.00 0.07 4.15 3.07 -1.49 0.54 117.51 124.84 1r2u h ILE 26 Ca -0.00 -0.32 -0.29 0.00 1.55 0.00 0.00 64.86 65.80 1r2u h ILE 26 Cb 0.05 -0.02 -0.02 0.00 -0.27 0.00 0.00 36.82 36.56 1r2u h ILE 26 CO 0.00 0.17 -1.53 -0.26 -1.05 0.00 0.00 178.15 175.49 1r2u h PHE 27 N 0.93 0.26 -0.67 0.16 0.04 -1.53 -3.33 116.94 112.80 1r2u h PHE 27 Ca 0.41 -0.19 -0.44 0.00 2.80 0.00 0.00 57.97 60.54 1r2u h PHE 27 Cb 0.34 -0.01 -0.20 0.00 2.20 0.00 0.00 35.95 38.29 1r2u h PHE 27 CO -0.00 1.25 0.57 -0.89 -0.60 0.00 0.00 178.31 178.64 1r2u n ILE 28 N -3.33 3.02 0.09 -0.55 2.08 -0.25 -4.44 119.36 115.98 1r2u n ILE 28 Ca -0.15 -2.03 -0.04 0.00 0.56 0.00 0.00 62.75 61.09 1r2u n ILE 28 Cb 1.03 -1.19 0.17 0.00 -0.75 0.00 0.00 39.64 38.89 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 1.55 0.25 -0.09 0.38 3.07 -1.05 -3.38 115.11 115.84 1r2u h GLN 29 Ca 0.41 -0.15 -0.21 0.00 0.09 0.00 0.00 58.65 58.79 1r2u h GLN 29 Cb 1.04 0.01 -0.18 0.00 0.08 0.00 0.00 27.48 28.44 1r2u h GLN 29 CO 1.03 0.70 -0.42 -0.40 0.09 0.00 0.00 178.83 179.84 1r2u n ASP 30 N -3.95 -1.34 -4.79 0.06 5.68 -1.26 -5.12 116.55 105.84 1r2u n ASP 30 Ca -0.02 -2.36 -0.34 0.00 -0.50 0.00 0.00 54.79 51.56 1r2u n ASP 30 Cb 0.55 0.71 -0.01 0.00 -1.14 0.00 0.00 41.12 41.23 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 -0.26 2.78 0.20 2.12 0.00 -1.26 -4.96 121.76 120.37 1r2u s ALA 31 Ca 0.18 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 1r2u s ALA 31 Cb 0.42 -3.30 0.13 0.00 0.00 0.00 0.00 23.12 20.37 1r2u s ALA 31 CO -0.09 -0.57 1.51 1.05 0.00 0.00 0.00 175.76 177.67 1r2u h GLU 32 N 1.31 0.51 0.00 0.00 4.11 -1.97 -3.36 114.58 115.18 1r2u h GLU 32 Ca -0.50 -0.32 -0.27 0.00 0.07 0.00 0.00 59.36 58.34 1r2u h GLU 32 Cb 1.24 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1r2u h GLU 32 CO 0.58 0.93 -2.03 -0.25 0.07 0.00 0.00 179.01 178.31 1r2u n ASP 33 N -3.95 2.53 0.00 3.06 8.00 -1.26 -5.05 116.55 119.88 1r2u n ASP 33 Ca -0.03 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1r2u n ASP 33 Cb 0.60 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 2.61 0.94 3.74 0.44 0.00 -1.26 -5.14 105.19 106.51 1r2u n GLY 34 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.51 2.16 0.32 0.00 -5.25 -1.00 -4.85 121.20 109.09 1r2u s ILE 36 Ca 0.17 -1.34 0.00 0.00 -0.99 0.00 0.00 60.65 58.50 1r2u s ILE 36 Cb -0.04 -2.50 -0.03 0.00 2.95 0.00 0.00 42.46 42.84 1r2u s ILE 36 CO 0.10 0.00 0.52 -0.55 -1.79 0.00 0.00 174.94 173.22 1r2u s SER 37 N -4.29 6.31 0.23 4.36 0.15 -1.26 0.11 113.70 119.31 1r2u s SER 37 Ca 0.45 0.44 -0.08 0.00 0.70 0.00 0.00 55.95 57.46 1r2u s SER 37 Cb -0.03 -2.03 0.21 0.00 -1.71 0.00 0.00 66.02 62.46 1r2u s SER 37 CO 0.27 -0.25 1.90 0.71 1.20 0.00 0.00 173.24 177.06 1r2u h THR 38 N 0.88 1.23 0.00 6.45 1.35 -1.91 -1.09 112.91 119.83 1r2u h THR 38 Ca -0.50 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.87 1r2u h THR 38 Cb 1.22 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1r2u h THR 38 CO 0.62 0.23 -0.19 0.07 -0.25 0.00 0.00 175.52 176.01 1r2u h LYS 39 N 1.20 0.00 0.00 4.72 2.10 -1.94 -2.44 116.57 120.21 1r2u h LYS 39 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1r2u h LYS 39 Cb -0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1r2u h LYS 39 CO -0.07 0.19 0.00 0.39 -2.00 0.00 0.00 179.45 177.96 1r2u n GLU 40 N -3.46 0.62 -0.30 0.07 1.02 -0.42 -3.59 120.64 114.57 1r2u n GLU 40 Ca -0.01 0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1r2u n GLU 40 Cb 0.36 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.00 1.04 -1.14 -4.62 7.12 -1.31 -1.11 115.31 115.29 1r2u h LEU 41 Ca 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1r2u h LEU 41 Cb 0.16 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1r2u h LEU 41 CO 0.00 0.86 0.00 1.23 -0.13 0.00 0.00 178.44 180.40 1r2u h GLY 42 N 1.14 0.00 1.07 3.75 0.00 -1.79 -2.38 103.07 104.86 1r2u h GLY 42 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.28 1r2u h GLY 42 CO -0.04 0.00 -1.65 0.50 0.00 0.00 0.00 176.54 175.35 1r2u h LYS 43 N 0.00 0.38 -0.07 4.80 1.79 -1.43 -3.25 116.57 118.79 1r2u h LYS 43 Ca 0.00 -0.65 -0.17 0.00 -2.18 0.00 0.00 60.65 57.65 1r2u h LYS 43 Cb 0.22 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1r2u h LYS 43 CO 0.00 1.29 -0.68 -0.39 -1.08 0.00 0.00 179.45 178.59 1r2u h VAL 44 N 0.10 1.39 -0.76 0.50 -1.51 -1.20 -3.09 116.25 111.68 1r2u h VAL 44 Ca -0.30 -2.10 -0.02 0.00 -1.23 0.00 0.00 66.70 63.04 1r2u h VAL 44 Cb 2.09 2.08 -0.04 0.00 -2.13 0.00 0.00 31.29 33.29 1r2u h VAL 44 CO 0.19 0.63 0.38 0.24 -1.23 0.00 0.00 177.57 177.78 1r2u h MET 45 N 0.23 1.08 -0.72 5.19 2.86 -1.57 -0.11 114.93 121.88 1r2u h MET 45 Ca -0.02 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1r2u h MET 45 Cb 1.23 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 1r2u h MET 45 CO 0.11 0.81 0.34 0.00 1.06 0.00 0.00 176.91 179.23 1r2u h ARG 46 N 1.07 1.04 -0.02 1.72 3.08 -1.41 0.35 114.38 120.21 1r2u h ARG 46 Ca 0.26 -0.15 -0.20 0.00 0.07 0.00 0.00 59.98 59.97 1r2u h ARG 46 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1r2u h ARG 46 CO -0.04 0.81 -0.83 0.52 -1.07 0.00 0.00 179.97 179.36 1r2u h MET 47 N 1.03 0.29 0.17 0.04 2.86 -1.34 -3.36 114.93 114.62 1r2u h MET 47 Ca 0.25 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1r2u h MET 47 Cb 0.12 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1r2u h MET 47 CO -0.03 0.97 -0.08 -0.07 1.06 0.00 0.00 176.91 178.76 1r2u h LEU 48 N 0.18 -0.19 0.00 1.22 3.38 -0.64 -3.48 115.31 115.77 1r2u h LEU 48 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1r2u h LEU 48 Cb 1.44 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1r2u h LEU 48 CO 0.13 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1r2u n GLY 49 N 1.11 -0.34 3.40 0.83 0.00 0.49 -5.09 105.19 105.57 1r2u n GLY 49 Ca -0.03 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.99 -0.42 1.61 -0.21 0.93 -5.01 119.66 117.55 1r2u s GLN 50 Ca 0.00 -0.14 0.06 0.00 0.02 0.00 0.00 55.36 55.29 1r2u s GLN 50 Cb 0.00 0.45 0.20 0.00 1.00 0.00 0.00 33.01 34.67 1r2u s GLN 50 CO 0.00 -0.34 0.48 -1.71 -2.12 0.00 0.00 175.29 171.60 1r2u n ASN 51 N 0.61 -0.85 -2.16 5.90 2.85 -1.26 -2.47 115.26 117.87 1r2u n ASN 51 Ca -0.19 -2.60 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 1r2u n ASN 51 Cb 0.59 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 2.34 0.57 -4.05 1.20 -0.04 -1.26 -5.12 135.00 128.63 1r2u n PRO 52 Ca 0.24 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.45 1r2u n PRO 52 Cb 0.52 0.00 -0.05 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 -0.32 2.04 0.21 0.52 -4.23 -1.26 -4.95 115.64 107.65 1r2u s THR 53 Ca 0.00 -1.62 0.13 0.00 -1.18 0.00 0.00 61.69 59.02 1r2u s THR 53 Cb 0.00 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1r2u s THR 53 CO 0.00 0.00 1.62 1.55 -0.54 0.00 0.00 174.62 177.25 1r2u h PRO 54 N 1.17 0.00 0.15 3.99 0.13 -2.00 -0.59 132.00 134.85 1r2u h PRO 54 Ca -0.41 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.40 1r2u h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1r2u h PRO 54 CO 0.65 0.56 -1.56 0.93 -0.23 0.00 0.00 178.00 178.35 1r2u h GLU 55 N 0.00 0.31 0.03 0.86 5.08 -2.00 -3.09 114.58 115.77 1r2u h GLU 55 Ca -0.01 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1r2u h GLU 55 Cb 1.09 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1r2u h GLU 55 CO 0.07 1.19 -0.01 1.49 -1.00 0.00 0.00 179.01 180.75 1r2u h GLU 56 N 0.08 -0.04 0.00 2.33 4.81 -1.96 -3.23 114.58 116.58 1r2u h GLU 56 Ca -0.26 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1r2u h GLU 56 Cb 2.05 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.43 1r2u h GLU 56 CO 0.18 0.56 -0.10 1.37 -0.73 0.00 0.00 179.01 180.29 1r2u h LEU 57 N -0.68 0.00 -0.52 1.64 -0.00 -1.27 -2.80 115.31 111.68 1r2u h LEU 57 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1r2u h LEU 57 Cb 0.62 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.22 1r2u h LEU 57 CO 0.01 0.10 0.19 -0.61 -0.00 0.00 0.00 178.44 178.12 1r2u h GLN 58 N 0.00 0.35 -0.59 0.17 5.75 -1.55 0.11 115.11 119.36 1r2u h GLN 58 Ca -0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1r2u h GLN 58 Cb 0.24 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1r2u h GLN 58 CO 0.01 0.23 0.28 0.93 -2.65 0.00 0.00 178.83 177.63 1r2u h GLU 59 N 0.36 0.83 -0.43 1.69 4.39 -1.60 -2.57 114.58 117.27 1r2u h GLU 59 Ca 0.25 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 1r2u h GLU 59 Cb 0.27 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1r2u h GLU 59 CO -0.26 0.65 -0.10 0.52 -1.16 0.00 0.00 179.01 178.67 1r2u h MET 60 N 0.83 0.82 0.02 2.33 2.86 -1.26 -2.19 114.93 118.34 1r2u h MET 60 Ca 0.21 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1r2u h MET 60 Cb 0.10 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1r2u h MET 60 CO -0.03 0.94 -0.01 0.82 1.06 0.00 0.00 176.91 179.69 1r2u h ILE 61 N 0.65 0.00 -0.93 -1.22 2.04 -0.63 -1.29 117.51 116.12 1r2u h ILE 61 Ca 0.11 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.19 1r2u h ILE 61 Cb 0.63 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1r2u h ILE 61 CO 0.04 0.00 0.62 -2.24 0.00 0.00 0.00 178.15 176.57 1r2u h ASP 62 N -0.03 0.37 -0.04 1.72 2.03 -1.61 0.35 116.42 119.22 1r2u h ASP 62 Ca -0.00 0.04 0.01 0.00 -0.73 0.00 0.00 57.03 56.35 1r2u h ASP 62 Cb 0.02 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1r2u h ASP 62 CO 0.00 0.13 -0.02 -0.33 -1.03 0.00 0.00 179.24 177.99 1r2u h GLU 63 N 0.36 -0.02 0.00 4.15 4.39 -1.13 -2.62 114.58 119.71 1r2u h GLU 63 Ca 0.49 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.12 1r2u h GLU 63 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1r2u h GLU 63 CO -0.18 -0.01 -0.35 -0.39 -1.16 0.00 0.00 179.01 176.92 1r2u h VAL 64 N -0.02 0.62 -0.59 3.13 -1.51 0.02 -3.41 116.25 114.50 1r2u h VAL 64 Ca 0.02 -1.77 -0.34 0.00 -1.23 0.00 0.00 66.70 63.38 1r2u h VAL 64 Cb 0.05 2.23 -0.05 0.00 -2.13 0.00 0.00 31.29 31.39 1r2u h VAL 64 CO -0.05 0.34 1.03 -0.62 -1.23 0.00 0.00 177.57 177.04 1r2u s ASP 65 N -6.36 5.20 0.27 4.19 -1.08 0.11 -4.65 116.67 114.35 1r2u s ASP 65 Ca 0.04 -1.38 -0.02 0.00 -0.52 0.00 0.00 52.55 50.67 1r2u s ASP 65 Cb 0.07 -2.58 0.37 0.00 -1.46 0.00 0.00 42.92 39.33 1r2u s ASP 65 CO 0.71 -2.84 1.85 -0.33 0.52 0.00 0.00 175.17 175.08 1r2u h GLU 66 N 10.12 0.95 0.23 4.34 5.08 -1.80 -3.09 114.58 130.41 1r2u h GLU 66 Ca 0.19 -0.16 -0.32 0.00 -1.00 0.00 0.00 59.36 58.08 1r2u h GLU 66 Cb 0.96 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 30.08 1r2u h GLU 66 CO 1.24 0.78 -1.43 0.38 -1.00 0.00 0.00 179.01 178.97 1r2u h ASP 67 N 0.93 0.75 -3.22 1.42 2.03 -1.95 -3.49 116.42 112.89 1r2u h ASP 67 Ca 0.22 -0.93 -0.12 0.00 -0.73 0.00 0.00 57.03 55.48 1r2u h ASP 67 Cb 0.19 -0.24 0.06 0.00 -0.83 0.00 0.00 39.33 38.50 1r2u h ASP 67 CO -0.02 1.68 -0.26 0.61 -1.03 0.00 0.00 179.24 180.22 1r2u n GLY 68 N 1.74 0.18 0.12 7.15 0.00 -1.17 -5.00 105.19 108.21 1r2u n GLY 68 Ca -0.18 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.61 1.90 0.00 1.61 3.41 -1.26 -5.03 113.62 112.63 1r2u n SER 69 Ca -0.09 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1r2u n SER 69 Cb 0.56 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 1.37 1.41 3.93 5.00 0.00 -1.26 -5.14 105.19 110.50 1r2u n GLY 70 Ca -0.39 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 5.35 -0.31 2.61 -4.23 -1.26 -3.11 115.64 114.69 1r2u s THR 71 Ca 0.00 -0.56 -0.09 0.00 -1.18 0.00 0.00 61.69 59.87 1r2u s THR 71 Cb 0.00 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1r2u s THR 71 CO 0.00 0.01 0.13 -0.69 -0.54 0.00 0.00 174.62 173.53 1r2u s VAL 72 N -1.64 4.41 0.88 2.29 1.01 0.12 -4.91 120.40 122.55 1r2u s VAL 72 Ca 0.35 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1r2u s VAL 72 Cb -0.12 -3.27 0.19 0.00 0.00 0.00 0.00 36.38 33.18 1r2u s VAL 72 CO 0.28 0.05 1.20 -1.81 0.00 0.00 0.00 175.10 174.82 1r2u s ASP 73 N 1.57 3.47 0.33 3.32 1.01 -1.26 -2.37 116.67 122.74 1r2u s ASP 73 Ca 0.04 -0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.22 1r2u s ASP 73 Cb -0.17 0.03 0.60 0.00 1.01 0.00 0.00 42.92 44.38 1r2u s ASP 73 CO 0.05 -2.47 1.84 0.15 0.21 0.00 0.00 175.17 174.95 1r2u h PHE 74 N -1.22 0.46 -0.58 4.23 3.57 -1.97 0.21 116.94 121.63 1r2u h PHE 74 Ca -0.40 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 60.97 1r2u h PHE 74 Cb 1.24 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1r2u h PHE 74 CO -0.91 0.53 0.08 -0.44 -2.23 0.00 0.00 178.31 175.35 1r2u h ASP 75 N 0.41 0.89 1.66 0.41 3.32 -1.99 0.63 116.42 121.74 1r2u h ASP 75 Ca 0.08 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1r2u h ASP 75 Cb 0.44 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1r2u h ASP 75 CO 0.02 0.90 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.77 1r2u h GLU 76 N 0.88 0.00 0.07 3.56 5.08 -1.72 -3.04 114.58 119.41 1r2u h GLU 76 Ca 0.18 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 76 Cb 0.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.68 1r2u h GLU 76 CO 0.01 0.12 -1.14 0.35 -1.00 0.00 0.00 179.01 177.35 1r2u h PHE 77 N 0.00 0.91 -0.06 4.33 3.57 0.00 -3.28 116.94 122.41 1r2u h PHE 77 Ca -0.01 -0.55 -0.24 0.00 3.53 0.00 0.00 57.97 60.70 1r2u h PHE 77 Cb 1.11 -0.08 0.02 0.00 2.79 0.00 0.00 35.95 39.78 1r2u h PHE 77 CO 0.00 1.39 -0.90 -0.07 -2.23 0.00 0.00 178.31 176.49 1r2u h LEU 78 N 0.29 0.91 -2.23 0.59 3.38 -0.97 -3.21 115.31 114.06 1r2u h LEU 78 Ca -0.15 -0.69 0.05 0.00 0.09 0.00 0.00 57.88 57.17 1r2u h LEU 78 Cb 1.80 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1r2u h LEU 78 CO 0.21 1.47 0.16 -0.37 0.09 0.00 0.00 178.44 180.01 1r2u h VAL 79 N 0.42 0.55 -0.96 1.22 -1.51 -1.65 -2.08 116.25 112.24 1r2u h VAL 79 Ca -0.09 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.65 1r2u h VAL 79 Cb 1.55 0.87 -0.04 0.00 -2.13 0.00 0.00 31.29 31.55 1r2u h VAL 79 CO 0.18 0.00 0.69 0.24 -1.23 0.00 0.00 177.57 177.45 1r2u h MET 80 N 0.00 0.01 0.20 5.19 2.86 -1.61 0.74 114.93 122.31 1r2u h MET 80 Ca 0.08 -0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.40 1r2u h MET 80 Cb 0.40 -0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.08 1r2u h MET 80 CO -0.00 0.00 -1.38 0.00 1.06 0.00 0.00 176.91 176.60 1r2u h MET 81 N 0.01 0.43 0.05 1.72 -0.00 -1.60 -3.32 114.93 112.23 1r2u h MET 81 Ca 0.46 -0.73 -0.23 0.00 -0.00 0.00 0.00 59.70 59.20 1r2u h MET 81 Cb 1.83 0.27 -0.01 0.00 -0.00 0.00 0.00 31.60 33.69 1r2u h MET 81 CO -0.01 1.35 -1.07 -0.39 -0.00 0.00 0.00 176.91 176.79 1r2u h VAL 82 N 0.12 1.58 0.00 -0.10 -1.51 -1.29 -3.19 116.25 111.85 1r2u h VAL 82 Ca -0.20 -3.09 0.00 0.00 -1.23 0.00 0.00 66.70 62.17 1r2u h VAL 82 Cb 2.08 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 34.04 1r2u h VAL 82 CO 0.25 0.89 0.00 0.08 -1.23 0.00 0.00 177.57 177.56 1r2u h ARG 83 N 0.05 0.00 0.00 5.19 0.11 -1.05 -1.34 114.38 117.35 1r2u h ARG 83 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1r2u h ARG 83 Cb 1.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.87 1r2u h ARG 83 CO 0.16 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.23 1r2u h MET 85 N 0.00 0.03 -7.22 0.00 -0.00 -1.43 -3.42 114.93 102.88 1r2u h MET 85 Ca 0.00 -0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 59.17 1r2u h MET 85 Cb 0.53 -0.01 0.18 0.00 -0.00 0.00 0.00 31.60 32.30 1r2u h MET 85 CO 0.00 0.02 0.32 -1.59 -0.00 0.00 0.00 176.91 175.65 1r2u s LYS 86 N -5.00 1.54 -0.31 -0.10 0.00 -1.22 -5.02 119.74 109.62 1r2u s LYS 86 Ca -0.05 1.70 -0.01 0.00 0.00 0.00 0.00 55.97 57.61 1r2u s LYS 86 Cb 0.22 -1.77 0.10 0.00 0.00 0.00 0.00 37.83 36.38 1r2u s LYS 86 CO 0.78 -2.28 0.10 -0.51 0.00 0.00 0.00 175.35 173.44 1r2u s ASP 87 N -2.29 3.99 -0.88 0.03 1.01 -1.26 -5.06 116.67 112.20 1r2u s ASP 87 Ca 0.72 -1.61 -0.09 0.00 0.71 0.00 0.00 52.55 52.28 1r2u s ASP 87 Cb -0.27 -0.84 0.23 0.00 1.01 0.00 0.00 42.92 43.05 1r2u s ASP 87 CO 0.52 -0.41 0.81 -1.81 0.21 0.00 0.00 175.17 174.48 1r2u s ASP 88 N 1.64 6.51 0.00 0.27 1.11 -1.26 -5.30 116.67 119.65 1r2u s ASP 88 Ca 0.09 -3.14 0.00 0.00 0.18 0.00 0.00 52.55 49.68 1r2u s ASP 88 Cb -0.17 -2.10 0.00 0.00 1.07 0.00 0.00 42.92 41.72 1r2u s ASP 88 CO -0.25 -0.39 0.00 -1.20 1.18 0.00 0.00 175.17 174.50