#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 -0.09 -0.15 6.12 -0.87 -1.26 -5.03 114.94 113.66 1r2u s ASN 2 Ca 0.00 0.53 0.15 0.00 -1.57 0.00 0.00 52.86 51.97 1r2u s ASN 2 Cb 0.00 0.47 -0.22 0.00 -0.02 0.00 0.00 41.25 41.48 1r2u s ASN 2 CO 0.00 -0.18 0.10 -0.90 -2.57 0.00 0.00 177.10 173.54 1r2u n ASP 3 N 4.52 0.84 0.18 -1.22 5.75 -1.26 -4.39 116.55 120.97 1r2u n ASP 3 Ca -0.20 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.68 1r2u n ASP 3 Cb 0.52 1.02 0.11 0.00 -1.03 0.00 0.00 41.12 41.74 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1r2u h ILE 4 N 0.00 0.14 -0.06 2.12 -0.00 -1.96 -3.06 117.51 114.70 1r2u h ILE 4 Ca -0.41 -1.21 -0.08 0.00 -0.00 0.00 0.00 64.86 63.16 1r2u h ILE 4 Cb 1.91 1.99 -0.01 0.00 -0.00 0.00 0.00 36.82 40.71 1r2u h ILE 4 CO 0.02 0.08 -0.31 1.88 -0.00 0.00 0.00 178.15 179.82 1r2u h TYR 5 N 0.00 0.12 0.19 0.16 -1.99 -1.90 0.84 116.97 114.38 1r2u h TYR 5 Ca -0.01 -0.02 -0.31 0.00 2.00 0.00 0.00 58.73 60.39 1r2u h TYR 5 Cb 1.08 -0.03 0.03 0.00 2.00 0.00 0.00 36.73 39.81 1r2u h TYR 5 CO 0.00 0.42 -1.31 0.87 -0.00 0.00 0.00 178.16 178.13 1r2u h LYS 6 N 0.10 0.56 0.00 4.88 1.79 -1.76 -1.28 116.57 120.85 1r2u h LYS 6 Ca 0.01 -0.85 -0.10 0.00 -2.18 0.00 0.00 60.65 57.54 1r2u h LYS 6 Cb 0.61 0.30 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1r2u h LYS 6 CO 0.04 1.40 -0.45 0.00 -1.08 0.00 0.00 179.45 179.36 1r2u h ALA 7 N 0.20 0.91 0.03 3.86 0.00 -1.38 -3.19 119.26 119.69 1r2u h ALA 7 Ca -0.22 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.02 1r2u h ALA 7 Cb 2.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 1r2u h ALA 7 CO 0.25 0.57 -1.35 0.00 0.00 0.00 0.00 179.25 178.71 1r2u h ALA 8 N 1.55 0.46 -0.48 0.00 0.00 0.66 -3.33 119.26 118.13 1r2u h ALA 8 Ca -0.00 -1.13 0.06 0.00 0.00 0.00 0.00 54.91 53.83 1r2u h ALA 8 Cb 1.03 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1r2u h ALA 8 CO 0.06 1.33 0.32 -0.24 0.00 0.00 0.00 179.25 180.72 1r2u h VAL 9 N 0.02 0.96 0.00 0.00 3.04 -1.21 0.78 116.25 119.84 1r2u h VAL 9 Ca -0.15 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.36 1r2u h VAL 9 Cb 1.91 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1r2u h VAL 9 CO 0.12 0.07 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.25 1r2u h GLU 10 N 0.40 0.00 0.19 4.17 5.08 -1.67 -3.19 114.58 119.56 1r2u h GLU 10 Ca 0.21 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 10 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.59 1r2u h GLU 10 CO -0.05 0.18 -1.45 1.96 -1.00 0.00 0.00 179.01 178.64 1r2u h GLN 11 N 0.00 0.41 -6.79 2.33 4.20 -1.03 -3.46 115.11 110.76 1r2u h GLN 11 Ca -0.00 -0.70 -0.54 0.00 0.06 0.00 0.00 58.65 57.47 1r2u h GLN 11 Cb 0.79 0.26 0.09 0.00 0.30 0.00 0.00 27.48 28.92 1r2u h GLN 11 CO 0.02 1.33 0.85 1.28 -0.67 0.00 0.00 178.83 181.65 1r2u n LEU 12 N -3.78 4.31 -5.00 1.46 4.77 -0.53 -5.01 117.00 113.23 1r2u n LEU 12 Ca -0.20 1.15 -0.18 0.00 -0.03 0.00 0.00 56.01 56.75 1r2u n LEU 12 Cb 1.02 -1.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.54 1r2u n LEU 12 CO 0.52 0.11 0.22 0.42 -1.33 0.00 0.00 177.39 177.34 1r2u s THR 13 N -0.11 2.87 0.46 -5.08 -4.23 -1.26 -4.97 115.64 103.31 1r2u s THR 13 Ca 0.63 -0.89 0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1r2u s THR 13 Cb -0.50 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.59 1r2u s THR 13 CO 0.50 0.00 2.05 0.44 -0.54 0.00 0.00 174.62 177.07 1r2u h ASP 14 N 0.44 0.14 -0.40 3.99 3.32 -1.99 -2.41 116.42 119.52 1r2u h ASP 14 Ca -0.40 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.67 1r2u h ASP 14 Cb 1.29 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 1r2u h ASP 14 CO 0.47 0.18 0.17 -0.33 -1.72 0.00 0.00 179.24 178.02 1r2u h GLU 15 N 0.15 0.35 -0.24 3.56 4.39 -1.98 0.18 114.58 120.99 1r2u h GLU 15 Ca 0.04 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1r2u h GLU 15 Cb 0.14 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1r2u h GLU 15 CO 0.00 0.23 0.14 1.96 -1.16 0.00 0.00 179.01 180.18 1r2u h GLN 16 N 0.36 0.33 -0.59 2.33 4.20 -1.83 0.72 115.11 120.62 1r2u h GLN 16 Ca 0.17 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1r2u h GLN 16 Cb 0.11 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1r2u h GLN 16 CO -0.15 0.27 0.39 0.87 -0.67 0.00 0.00 178.83 179.55 1r2u h LYS 17 N 0.29 0.68 -0.45 1.46 6.56 -1.26 -0.81 116.57 123.03 1r2u h LYS 17 Ca 0.08 -0.04 -0.13 0.00 -1.06 0.00 0.00 60.65 59.51 1r2u h LYS 17 Cb 0.03 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 1r2u h LYS 17 CO -0.02 0.45 -0.22 -0.97 -2.06 0.00 0.00 179.45 176.64 1r2u h ASN 18 N 0.70 0.94 0.11 0.86 -0.73 0.17 0.12 115.58 117.74 1r2u h ASN 18 Ca 0.24 -0.35 -0.00 0.00 1.87 0.00 0.00 56.30 58.06 1r2u h ASN 18 Cb 0.08 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.41 1r2u h ASN 18 CO -0.06 1.12 -0.07 -0.33 -0.37 0.00 0.00 177.43 177.71 1r2u h GLU 19 N 0.79 -0.17 -0.18 6.67 5.08 0.50 -1.96 114.58 125.31 1r2u h GLU 19 Ca 0.11 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1r2u h GLU 19 Cb 0.77 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1r2u h GLU 19 CO 0.06 -0.11 -0.34 0.74 -1.00 0.00 0.00 179.01 178.36 1r2u h PHE 20 N -0.18 0.42 0.35 4.33 0.04 -1.25 -2.33 116.94 118.32 1r2u h PHE 20 Ca -0.01 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1r2u h PHE 20 Cb 0.15 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1r2u h PHE 20 CO -0.09 0.67 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.83 1r2u h LYS 21 N 0.31 -0.57 -0.46 1.51 1.63 -0.39 0.18 116.57 118.78 1r2u h LYS 21 Ca 0.04 0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 1r2u h LYS 21 Cb 0.76 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1r2u h LYS 21 CO 0.06 -0.38 0.10 0.00 -3.45 0.00 0.00 179.45 175.78 1r2u h ALA 22 N 0.00 0.61 0.00 5.00 0.00 -1.38 0.84 119.26 124.33 1r2u h ALA 22 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1r2u h ALA 22 Cb 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1r2u h ALA 22 CO 0.01 0.31 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1r2u h ALA 23 N 0.97 1.42 0.00 0.00 0.00 -1.27 -1.57 119.26 118.81 1r2u h ALA 23 Ca 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1r2u h ALA 23 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r2u h ALA 23 CO 0.00 0.08 -0.57 0.35 0.00 0.00 0.00 179.25 179.12 1r2u h PHE 24 N 0.00 0.00 -0.97 0.00 3.57 -0.15 -3.37 116.94 116.02 1r2u h PHE 24 Ca -0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1r2u h PHE 24 Cb 0.17 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 1r2u h PHE 24 CO 0.00 0.79 0.61 0.22 -2.23 0.00 0.00 178.31 177.71 1r2u h ASP 25 N -1.00 0.86 -0.84 0.41 3.58 -0.75 -0.14 116.42 118.54 1r2u h ASP 25 Ca -0.13 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.48 1r2u h ASP 25 Cb 0.84 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 1r2u h ASP 25 CO -0.08 0.46 0.55 0.16 -2.88 0.00 0.00 179.24 177.44 1r2u h ILE 26 N 0.92 0.90 0.00 2.25 3.07 -1.46 -0.93 117.51 122.25 1r2u h ILE 26 Ca 0.48 -0.25 -0.23 0.00 1.55 0.00 0.00 64.86 66.41 1r2u h ILE 26 Cb 0.53 0.12 -0.04 0.00 -0.27 0.00 0.00 36.82 37.16 1r2u h ILE 26 CO -0.24 0.13 -1.30 -0.26 -1.05 0.00 0.00 178.15 175.43 1r2u h PHE 27 N 0.72 0.00 -0.71 0.16 -1.00 -1.39 -3.32 116.94 111.40 1r2u h PHE 27 Ca 0.40 0.00 -0.39 0.00 2.81 0.00 0.00 57.97 60.79 1r2u h PHE 27 Cb 0.56 0.00 -0.22 0.00 3.61 0.00 0.00 35.95 39.90 1r2u h PHE 27 CO -0.00 0.89 0.50 -0.89 -1.61 0.00 0.00 178.31 177.20 1r2u n ILE 28 N -3.15 2.68 -0.10 -0.55 2.08 -0.19 -4.34 119.36 115.79 1r2u n ILE 28 Ca -0.08 -1.53 -0.09 0.00 0.56 0.00 0.00 62.75 61.61 1r2u n ILE 28 Cb 0.95 -0.74 0.06 0.00 -0.75 0.00 0.00 39.64 39.16 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 0.90 0.82 -0.33 0.38 3.07 -1.41 -3.36 115.11 115.19 1r2u h GLN 29 Ca 0.45 -0.35 -0.24 0.00 0.09 0.00 0.00 58.65 58.60 1r2u h GLN 29 Cb 2.06 -0.03 -0.28 0.00 0.08 0.00 0.00 27.48 29.31 1r2u h GLN 29 CO 0.85 0.98 -0.74 -0.25 0.09 0.00 0.00 178.83 179.77 1r2u n ASP 30 N -4.10 -0.00 -4.78 0.06 8.00 -1.26 -5.13 116.55 109.33 1r2u n ASP 30 Ca -0.00 -2.29 -0.33 0.00 0.71 0.00 0.00 54.79 52.88 1r2u n ASP 30 Cb 0.46 0.14 0.04 0.00 -0.02 0.00 0.00 41.12 41.73 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 -1.76 2.54 0.00 2.24 0.00 -1.26 -4.98 121.76 118.54 1r2u s ALA 31 Ca 0.21 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1r2u s ALA 31 Cb 0.40 -3.30 -0.19 0.00 0.00 0.00 0.00 23.12 20.02 1r2u s ALA 31 CO -0.06 -1.15 1.19 0.93 0.00 0.00 0.00 175.76 176.67 1r2u h GLU 32 N 0.20 0.31 -0.35 0.00 4.39 -1.95 -3.31 114.58 113.87 1r2u h GLU 32 Ca -0.47 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1r2u h GLU 32 Cb 1.24 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1r2u h GLU 32 CO 0.55 0.89 0.00 -0.25 -1.16 0.00 0.00 179.01 179.03 1r2u n ASP 33 N -4.46 3.74 -1.87 1.42 9.92 -1.26 -4.95 116.55 119.09 1r2u n ASP 33 Ca -0.08 -2.60 -0.17 0.00 -0.53 0.00 0.00 54.79 51.41 1r2u n ASP 33 Cb 0.48 -0.45 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 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 0.08 -0.11 3.46 0.44 0.00 -1.25 -4.97 105.19 102.85 1r2u n GLY 34 Ca 0.19 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.97 1.74 0.11 0.00 -5.25 -1.02 -4.76 121.20 109.04 1r2u s ILE 36 Ca 0.32 -1.35 -0.10 0.00 -0.99 0.00 0.00 60.65 58.54 1r2u s ILE 36 Cb -0.00 -2.08 -0.06 0.00 2.95 0.00 0.00 42.46 43.26 1r2u s ILE 36 CO 0.23 0.00 0.43 -0.55 -1.79 0.00 0.00 174.94 173.26 1r2u s SER 37 N -4.41 6.64 0.18 4.36 0.15 -1.26 -0.36 113.70 119.00 1r2u s SER 37 Ca 0.42 0.82 -0.13 0.00 0.70 0.00 0.00 55.95 57.75 1r2u s SER 37 Cb -0.03 -2.19 0.13 0.00 -1.71 0.00 0.00 66.02 62.22 1r2u s SER 37 CO 0.26 0.12 1.79 0.71 1.20 0.00 0.00 173.24 177.32 1r2u h THR 38 N 2.65 0.96 0.00 6.45 1.35 -1.87 -1.00 112.91 121.44 1r2u h THR 38 Ca -0.48 -0.17 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 1r2u h THR 38 Cb 1.19 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1r2u h THR 38 CO 0.67 0.09 -0.13 0.07 -0.25 0.00 0.00 175.52 175.97 1r2u h LYS 39 N 0.50 0.00 -0.12 4.72 5.09 -1.94 -2.90 116.57 121.92 1r2u h LYS 39 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.96 1r2u h LYS 39 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.45 1r2u h LYS 39 CO -0.15 0.13 0.00 0.39 -2.09 0.00 0.00 179.45 177.73 1r2u n GLU 40 N -3.24 1.32 -0.27 0.07 1.02 -0.40 -4.00 120.64 115.14 1r2u n GLU 40 Ca 0.01 -0.49 -0.02 0.00 -0.02 0.00 0.00 57.16 56.64 1r2u n GLU 40 Cb 0.42 -1.19 0.17 0.00 -0.02 0.00 0.00 31.44 30.82 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 0.86 0.98 -2.56 -4.62 6.46 -1.28 -1.40 115.31 113.76 1r2u h LEU 41 Ca 0.00 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1r2u h LEU 41 Cb 0.19 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1r2u h LEU 41 CO 0.00 0.76 0.09 1.23 -0.62 0.00 0.00 178.44 179.90 1r2u h GLY 42 N 1.15 0.00 1.11 3.75 0.00 -1.84 -0.02 103.07 107.21 1r2u h GLY 42 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.30 1r2u h GLY 42 CO -0.05 0.00 -1.44 1.70 0.00 0.00 0.00 176.54 176.75 1r2u h LYS 43 N 0.00 0.48 -0.05 4.80 1.63 -1.55 -3.02 116.57 118.86 1r2u h LYS 43 Ca 0.02 -0.83 -0.22 0.00 -0.85 0.00 0.00 60.65 58.77 1r2u h LYS 43 Cb 0.20 0.31 0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1r2u h LYS 43 CO -0.00 1.40 -0.87 -0.39 -3.45 0.00 0.00 179.45 176.13 1r2u h VAL 44 N 0.06 1.35 -0.11 2.00 -1.51 -1.25 -3.18 116.25 113.60 1r2u h VAL 44 Ca -0.26 -2.23 -0.08 0.00 -1.23 0.00 0.00 66.70 62.90 1r2u h VAL 44 Cb 2.08 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 33.47 1r2u h VAL 44 CO 0.24 0.68 -0.28 0.24 -1.23 0.00 0.00 177.57 177.22 1r2u h MET 45 N 0.34 0.21 -0.83 5.19 2.86 -1.17 -2.71 114.93 118.82 1r2u h MET 45 Ca -0.07 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1r2u h MET 45 Cb 1.49 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 33.09 1r2u h MET 45 CO 0.16 0.48 0.53 0.00 1.06 0.00 0.00 176.91 179.14 1r2u h ARG 46 N 0.19 1.00 -0.31 1.72 3.08 -1.50 -1.16 114.38 117.40 1r2u h ARG 46 Ca 0.03 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1r2u h ARG 46 Cb 0.60 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1r2u h ARG 46 CO 0.04 0.66 -0.23 0.52 -1.07 0.00 0.00 179.97 179.90 1r2u h MET 47 N 1.03 0.58 -0.18 0.04 2.86 -1.53 -3.06 114.93 114.67 1r2u h MET 47 Ca 0.33 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1r2u h MET 47 Cb 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1r2u h MET 47 CO -0.11 0.77 0.09 -0.07 1.06 0.00 0.00 176.91 178.64 1r2u h LEU 48 N 0.52 0.24 0.00 1.22 -0.00 -1.07 -3.47 115.31 112.75 1r2u h LEU 48 Ca 0.08 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1r2u h LEU 48 Cb 0.67 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1r2u h LEU 48 CO 0.05 0.31 0.00 0.61 -0.00 0.00 0.00 178.44 179.41 1r2u n GLY 49 N -0.79 0.06 3.42 0.83 0.00 -0.53 -5.12 105.19 103.05 1r2u n GLY 49 Ca -0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.57 -0.52 1.61 -0.21 -1.00 -5.02 119.66 115.09 1r2u s GLN 50 Ca 0.00 0.84 0.05 0.00 0.02 0.00 0.00 55.36 56.27 1r2u s GLN 50 Cb 0.00 0.18 0.19 0.00 1.00 0.00 0.00 33.01 34.38 1r2u s GLN 50 CO 0.00 -0.11 0.45 -1.71 -2.12 0.00 0.00 175.29 171.80 1r2u n ASN 51 N 3.48 1.01 -2.21 5.90 5.15 -1.26 -3.24 115.26 124.08 1r2u n ASN 51 Ca -0.17 -2.76 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 1r2u n ASN 51 Cb 0.56 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r2u n PRO 52 N 2.20 0.67 -3.38 1.20 -0.04 -1.26 -5.12 135.00 129.28 1r2u n PRO 52 Ca 0.26 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.51 1r2u n PRO 52 Cb 0.44 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.23 2.38 0.18 0.52 -4.23 -1.26 -4.94 115.64 108.07 1r2u s THR 53 Ca 0.00 -1.21 0.17 0.00 -1.18 0.00 0.00 61.69 59.46 1r2u s THR 53 Cb 0.00 -2.60 0.09 0.00 1.34 0.00 0.00 72.50 71.33 1r2u s THR 53 CO 0.00 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.32 1r2u h PRO 54 N 0.67 0.00 0.20 3.99 0.13 -1.99 -0.95 132.00 134.04 1r2u h PRO 54 Ca -0.37 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.42 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 0.50 0.44 -1.63 0.93 -0.23 0.00 0.00 178.00 178.02 1r2u h GLU 55 N 0.00 0.42 0.05 0.86 5.08 -1.99 -3.00 114.58 116.00 1r2u h GLU 55 Ca -0.00 -0.72 -0.00 0.00 -1.00 0.00 0.00 59.36 57.63 1r2u h GLU 55 Cb 0.96 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1r2u h GLU 55 CO 0.06 1.33 -0.03 0.93 -1.00 0.00 0.00 179.01 180.30 1r2u h GLU 56 N 0.11 -0.07 0.00 2.33 4.39 -1.95 -3.11 114.58 116.29 1r2u h GLU 56 Ca -0.30 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1r2u h GLU 56 Cb 2.11 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1r2u h GLU 56 CO 0.21 0.37 -0.09 1.25 -1.16 0.00 0.00 179.01 179.59 1r2u h LEU 57 N -0.53 0.00 -0.81 1.33 6.46 -1.34 -2.53 115.31 117.89 1r2u h LEU 57 Ca -0.01 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.88 1r2u h LEU 57 Cb 0.47 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.31 1r2u h LEU 57 CO 0.01 0.09 0.41 -0.61 -0.62 0.00 0.00 178.44 177.73 1r2u h GLN 58 N 0.00 0.61 -0.49 1.25 -0.00 -1.45 -0.53 115.11 114.50 1r2u h GLN 58 Ca -0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 1r2u h GLN 58 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.49 1r2u h GLN 58 CO 0.01 0.40 0.10 0.93 0.00 0.00 0.00 178.83 180.28 1r2u h GLU 59 N 0.63 0.80 -0.77 1.69 5.08 -1.52 -2.94 114.58 117.55 1r2u h GLU 59 Ca 0.43 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1r2u h GLU 59 Cb 0.56 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1r2u h GLU 59 CO -0.33 0.79 0.51 0.52 -1.00 0.00 0.00 179.01 179.49 1r2u h MET 60 N 0.68 1.00 0.08 2.33 2.86 -1.24 -0.61 114.93 120.04 1r2u h MET 60 Ca 0.15 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1r2u h MET 60 Cb 0.36 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1r2u h MET 60 CO 0.01 0.66 -0.07 0.82 1.06 0.00 0.00 176.91 179.39 1r2u h ILE 61 N 1.03 0.00 -0.80 -1.22 2.04 -1.00 -0.01 117.51 117.55 1r2u h ILE 61 Ca 0.28 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.32 1r2u h ILE 61 Cb -0.10 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 35.92 1r2u h ILE 61 CO -0.07 0.00 0.53 0.44 0.00 0.00 0.00 178.15 179.06 1r2u h ASP 62 N -0.14 0.36 -0.09 1.72 3.32 -1.53 -0.42 116.42 119.64 1r2u h ASP 62 Ca -0.01 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1r2u h ASP 62 Cb 0.12 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1r2u h ASP 62 CO -0.00 0.17 0.03 -0.33 -1.72 0.00 0.00 179.24 177.39 1r2u h GLU 63 N 0.37 0.13 0.00 3.56 5.08 -0.81 -2.96 114.58 119.95 1r2u h GLU 63 Ca 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1r2u h GLU 63 Cb 1.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1r2u h GLU 63 CO -0.12 0.26 -0.03 -0.39 -1.00 0.00 0.00 179.01 177.73 1r2u h VAL 64 N -0.03 0.05 -0.91 3.13 -1.51 -0.12 -3.41 116.25 113.45 1r2u h VAL 64 Ca 0.03 -0.83 -0.29 0.00 -1.23 0.00 0.00 66.70 64.37 1r2u h VAL 64 Cb 0.18 1.79 -0.04 0.00 -2.13 0.00 0.00 31.29 31.09 1r2u h VAL 64 CO -0.00 0.03 0.77 -0.62 -1.23 0.00 0.00 177.57 176.51 1r2u s ASP 65 N -5.99 4.97 0.13 4.19 -1.08 -0.25 -4.62 116.67 114.02 1r2u s ASP 65 Ca 0.04 -0.35 -0.07 0.00 -0.52 0.00 0.00 52.55 51.65 1r2u s ASP 65 Cb 0.07 -2.55 -0.08 0.00 -1.46 0.00 0.00 42.92 38.89 1r2u s ASP 65 CO 0.62 -2.85 1.33 -0.33 0.52 0.00 0.00 175.17 174.46 1r2u h GLU 66 N 12.37 0.55 0.07 4.34 5.08 -1.85 -3.35 114.58 131.79 1r2u h GLU 66 Ca 0.01 -0.51 -0.37 0.00 -1.00 0.00 0.00 59.36 57.49 1r2u h GLU 66 Cb 1.04 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1r2u h GLU 66 CO 1.18 1.14 -2.18 -0.40 -1.00 0.00 0.00 179.01 177.75 1r2u n ASP 67 N -3.84 1.94 -1.65 1.42 5.68 -1.26 -5.02 116.55 113.82 1r2u n ASP 67 Ca -0.07 0.08 -0.06 0.00 -0.50 0.00 0.00 54.79 54.24 1r2u n ASP 67 Cb 0.78 -0.59 0.03 0.00 -1.14 0.00 0.00 41.12 40.20 1r2u n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r2u n GLY 68 N 2.07 0.28 0.10 6.12 0.00 -1.26 -5.00 105.19 107.51 1r2u n GLY 68 Ca -0.37 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.15 1.85 0.00 1.61 3.41 -1.26 -5.02 113.62 113.06 1r2u n SER 69 Ca -0.06 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1r2u n SER 69 Cb 0.54 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 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 1.45 1.42 3.68 5.00 0.00 -1.26 -5.14 105.19 110.33 1r2u n GLY 70 Ca -0.30 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 3.89 -0.30 2.61 -4.23 -1.26 -2.96 115.64 113.38 1r2u s THR 71 Ca 0.00 -1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 59.21 1r2u s THR 71 Cb 0.00 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 1r2u s THR 71 CO 0.00 0.03 0.31 -0.69 -0.54 0.00 0.00 174.62 173.73 1r2u s VAL 72 N -1.47 5.21 0.87 2.29 1.01 0.52 -4.87 120.40 123.96 1r2u s VAL 72 Ca 0.26 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 1r2u s VAL 72 Cb -0.11 -3.70 0.17 0.00 0.00 0.00 0.00 36.38 32.74 1r2u s VAL 72 CO 0.18 0.08 1.20 -1.81 0.00 0.00 0.00 175.10 174.75 1r2u s ASP 73 N 1.71 3.60 0.31 3.32 1.11 -1.26 -2.44 116.67 123.02 1r2u s ASP 73 Ca 0.11 0.03 0.03 0.00 0.18 0.00 0.00 52.55 52.90 1r2u s ASP 73 Cb -0.16 -0.20 0.50 0.00 1.07 0.00 0.00 42.92 44.12 1r2u s ASP 73 CO 0.11 -2.39 1.80 0.15 1.18 0.00 0.00 175.17 176.01 1r2u h PHE 74 N -1.21 0.56 -0.68 4.23 3.57 -1.98 0.21 116.94 121.65 1r2u h PHE 74 Ca -0.41 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 60.93 1r2u h PHE 74 Cb 1.25 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1r2u h PHE 74 CO -0.77 0.62 0.12 -0.44 -2.23 0.00 0.00 178.31 175.62 1r2u h ASP 75 N 0.48 1.06 1.55 0.41 5.19 -1.99 0.92 116.42 124.03 1r2u h ASP 75 Ca 0.09 -0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.22 1r2u h ASP 75 Cb 0.50 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1r2u h ASP 75 CO 0.03 1.04 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.68 1r2u h GLU 76 N 1.04 0.00 0.15 3.56 5.08 -1.71 -2.62 114.58 120.08 1r2u h GLU 76 Ca 0.21 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 76 Cb 0.42 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.71 1r2u h GLU 76 CO 0.01 0.18 -1.30 0.35 -1.00 0.00 0.00 179.01 177.24 1r2u h PHE 77 N 0.00 1.00 0.01 4.33 3.57 0.10 -3.33 116.94 122.62 1r2u h PHE 77 Ca -0.00 -0.65 -0.20 0.00 3.53 0.00 0.00 57.97 60.65 1r2u h PHE 77 Cb 1.00 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1r2u h PHE 77 CO 0.00 1.49 -0.89 -0.07 -2.23 0.00 0.00 178.31 176.61 1r2u h LEU 78 N 0.25 0.17 -2.32 0.59 3.38 -0.86 -3.20 115.31 113.32 1r2u h LEU 78 Ca -0.20 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1r2u h LEU 78 Cb 1.98 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1r2u h LEU 78 CO 0.25 0.97 0.14 -0.37 0.09 0.00 0.00 178.44 179.52 1r2u h VAL 79 N 0.07 0.45 -1.40 1.22 -1.51 -1.58 -2.28 116.25 111.22 1r2u h VAL 79 Ca -0.04 0.00 0.42 0.00 -1.23 0.00 0.00 66.70 65.85 1r2u h VAL 79 Cb 1.54 0.88 -0.09 0.00 -2.13 0.00 0.00 31.29 31.49 1r2u h VAL 79 CO 0.13 0.00 0.96 0.24 -1.23 0.00 0.00 177.57 177.67 1r2u h MET 80 N 0.00 0.08 0.05 5.19 2.86 -1.68 0.52 114.93 121.96 1r2u h MET 80 Ca 0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1r2u h MET 80 Cb 0.34 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1r2u h MET 80 CO -0.00 0.06 -0.02 0.52 1.06 0.00 0.00 176.91 178.52 1r2u h MET 81 N 0.09 -0.07 -0.15 1.72 2.86 -1.67 -3.34 114.93 114.38 1r2u h MET 81 Ca 0.74 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 58.28 1r2u h MET 81 Cb 2.61 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 34.28 1r2u h MET 81 CO -0.18 0.55 -0.38 -0.39 1.06 0.00 0.00 176.91 177.57 1r2u h VAL 82 N -0.88 1.30 -0.06 -2.22 -1.51 -1.22 -2.92 116.25 108.74 1r2u h VAL 82 Ca -0.01 -1.48 0.02 0.00 -1.23 0.00 0.00 66.70 64.00 1r2u h VAL 82 Cb 0.65 1.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1r2u h VAL 82 CO 0.01 0.45 0.10 0.08 -1.23 0.00 0.00 177.57 176.98 1r2u h ARG 83 N 0.27 0.00 -0.43 5.19 0.11 -0.18 -0.77 114.38 118.58 1r2u h ARG 83 Ca 0.03 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.03 1r2u h ARG 83 Cb 0.80 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.86 1r2u h ARG 83 CO 0.06 0.00 -0.06 0.00 0.10 0.00 0.00 179.97 180.07 1r2u h MET 85 N 0.69 -0.05 0.00 0.00 2.86 -1.30 -3.35 114.93 113.78 1r2u h MET 85 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1r2u h MET 85 Cb 0.52 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1r2u h MET 85 CO 0.03 0.11 0.00 1.63 1.06 0.00 0.00 176.91 179.74 1r2u n LYS 86 N -5.04 0.00 -3.03 1.72 5.02 -1.17 -5.01 118.16 110.65 1r2u n LYS 86 Ca -0.08 0.35 -0.12 0.00 -2.02 0.00 0.00 58.31 56.45 1r2u n LYS 86 Cb 0.12 -1.09 0.01 0.00 -0.02 0.00 0.00 35.03 34.05 1r2u n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1r2u n ASP 87 N -1.56 -7.15 -4.60 4.39 2.03 0.18 -4.81 116.55 105.04 1r2u n ASP 87 Ca 0.00 0.59 -0.43 0.00 0.52 0.00 0.00 54.79 55.48 1r2u n ASP 87 Cb 0.00 -3.78 -0.03 0.00 -0.72 0.00 0.00 41.12 36.59 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r2u s ASP 88 N -1.77 5.89 0.00 1.67 -1.08 -1.26 -5.12 116.67 115.00 1r2u s ASP 88 Ca 0.17 1.27 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 1r2u s ASP 88 Cb -0.03 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1r2u s ASP 88 CO 0.65 -1.72 0.47 -0.24 0.52 0.00 0.00 175.17 174.85