#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 2.09 0.00 7.83 -0.87 -1.26 -5.03 114.94 117.70 1r2u s ASN 2 Ca 0.00 -0.49 0.00 0.00 -1.57 0.00 0.00 52.86 50.80 1r2u s ASN 2 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 1r2u s ASN 2 CO 0.00 0.10 0.76 0.47 -2.57 0.00 0.00 177.10 175.87 1r2u n ASP 3 N 1.88 1.12 0.06 -1.22 9.92 -1.26 -4.73 116.55 122.31 1r2u n ASP 3 Ca -0.17 -1.55 -0.02 0.00 -0.53 0.00 0.00 54.79 52.52 1r2u n ASP 3 Cb 0.54 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.95 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 1.26 0.83 -0.13 0.53 -2.65 -1.96 -2.96 117.51 112.44 1r2u h ILE 4 Ca 0.00 -2.37 -0.11 0.00 1.03 0.00 0.00 64.86 63.41 1r2u h ILE 4 Cb 0.70 2.32 -0.01 0.00 -2.05 0.00 0.00 36.82 37.77 1r2u h ILE 4 CO 0.00 0.47 -0.43 1.88 0.03 0.00 0.00 178.15 180.11 1r2u h TYR 5 N 0.00 0.34 0.14 0.16 0.05 -1.85 0.13 116.97 115.95 1r2u h TYR 5 Ca -0.11 -0.10 -0.30 0.00 0.05 0.00 0.00 58.73 58.27 1r2u h TYR 5 Cb 1.61 -0.07 0.03 0.00 1.01 0.00 0.00 36.73 39.31 1r2u h TYR 5 CO 0.00 0.67 -1.28 0.87 -1.05 0.00 0.00 178.16 177.37 1r2u h LYS 6 N 0.24 0.56 -0.00 4.88 1.79 -1.88 -1.14 116.57 121.01 1r2u h LYS 6 Ca 0.02 -0.79 -0.12 0.00 -2.18 0.00 0.00 60.65 57.58 1r2u h LYS 6 Cb 0.86 0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 1r2u h LYS 6 CO 0.07 1.36 -0.55 0.00 -1.08 0.00 0.00 179.45 179.25 1r2u h ALA 7 N 0.33 1.09 0.13 3.86 0.00 -1.41 -3.14 119.26 120.12 1r2u h ALA 7 Ca -0.19 -0.50 -0.29 0.00 0.00 0.00 0.00 54.91 53.92 1r2u h ALA 7 Cb 1.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1r2u h ALA 7 CO 0.24 0.69 -1.41 0.00 0.00 0.00 0.00 179.25 178.77 1r2u h ALA 8 N 1.45 0.18 -0.15 0.00 0.00 -0.78 -3.29 119.26 116.67 1r2u h ALA 8 Ca -0.01 -1.01 0.04 0.00 0.00 0.00 0.00 54.91 53.94 1r2u h ALA 8 Cb 0.98 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1r2u h ALA 8 CO 0.07 1.05 0.13 -0.24 0.00 0.00 0.00 179.25 180.26 1r2u h VAL 9 N 0.07 0.70 0.00 0.00 3.04 -1.16 0.12 116.25 119.03 1r2u h VAL 9 Ca -0.20 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.41 1r2u h VAL 9 Cb 2.01 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.18 1r2u h VAL 9 CO 0.19 0.00 -0.36 -0.33 -1.01 0.00 0.00 177.57 176.05 1r2u h GLU 10 N 0.00 0.00 0.07 4.17 4.39 -1.61 -3.15 114.58 118.45 1r2u h GLU 10 Ca 0.07 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1r2u h GLU 10 Cb 0.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1r2u h GLU 10 CO -0.00 0.36 -0.41 1.96 -1.16 0.00 0.00 179.01 179.76 1r2u h GLN 11 N 0.00 0.16 -7.83 2.33 1.08 -0.93 -3.46 115.11 106.46 1r2u h GLN 11 Ca -0.00 -0.26 -0.44 0.00 -1.45 0.00 0.00 58.65 56.49 1r2u h GLN 11 Cb 0.70 0.09 0.17 0.00 -0.05 0.00 0.00 27.48 28.39 1r2u h GLN 11 CO 0.05 1.11 0.42 -0.51 -0.95 0.00 0.00 178.83 178.94 1r2u s LEU 12 N -8.09 2.75 0.38 1.46 1.02 -0.84 -5.11 118.68 110.25 1r2u s LEU 12 Ca -0.16 0.18 0.05 0.00 0.02 0.00 0.00 54.13 54.22 1r2u s LEU 12 Cb -0.01 -2.17 -0.06 0.00 0.02 0.00 0.00 46.19 43.97 1r2u s LEU 12 CO 0.76 -2.82 0.04 0.42 0.02 0.00 0.00 176.35 174.78 1r2u s THR 13 N -3.91 1.48 0.45 5.49 -4.23 -1.26 -4.88 115.64 108.79 1r2u s THR 13 Ca 0.75 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.38 1r2u s THR 13 Cb -0.03 -2.80 0.23 0.00 1.34 0.00 0.00 72.50 71.25 1r2u s THR 13 CO 0.53 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 177.11 1r2u h ASP 14 N 1.88 0.17 -0.93 3.99 3.32 -1.99 -2.08 116.42 120.77 1r2u h ASP 14 Ca -0.42 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.72 1r2u h ASP 14 Cb 1.25 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1r2u h ASP 14 CO 0.74 0.19 0.60 -0.33 -1.72 0.00 0.00 179.24 178.72 1r2u h GLU 15 N 0.19 0.90 -0.47 3.56 4.39 -1.98 0.11 114.58 121.27 1r2u h GLU 15 Ca 0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r2u h GLU 15 Cb 0.10 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1r2u h GLU 15 CO -0.00 0.59 0.30 1.96 -1.16 0.00 0.00 179.01 180.70 1r2u h GLN 16 N 0.92 0.64 -0.22 2.33 1.08 -1.78 0.20 115.11 118.28 1r2u h GLN 16 Ca 0.44 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.50 1r2u h GLN 16 Cb 0.44 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1r2u h GLN 16 CO -0.20 0.45 -0.26 0.87 -0.95 0.00 0.00 178.83 178.74 1r2u h LYS 17 N 0.64 0.42 -0.43 1.46 6.56 -1.30 -0.82 116.57 123.10 1r2u h LYS 17 Ca 0.17 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1r2u h LYS 17 Cb -0.04 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.58 1r2u h LYS 17 CO -0.03 0.65 0.19 -0.91 -2.06 0.00 0.00 179.45 177.29 1r2u h ASN 18 N 0.38 0.58 -0.47 0.86 2.35 -0.04 0.90 115.58 120.14 1r2u h ASN 18 Ca 0.06 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1r2u h ASN 18 Cb 0.65 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1r2u h ASN 18 CO 0.05 0.56 0.03 -0.33 -1.65 0.00 0.00 177.43 176.09 1r2u h GLU 19 N 0.56 0.81 -0.80 0.81 4.39 -0.74 -2.10 114.58 117.50 1r2u h GLU 19 Ca 0.15 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.63 1r2u h GLU 19 Cb 0.15 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1r2u h GLU 19 CO -0.02 0.85 0.52 0.74 -1.16 0.00 0.00 179.01 179.94 1r2u h PHE 20 N 0.67 0.97 -0.06 4.33 -1.00 -0.83 0.39 116.94 121.41 1r2u h PHE 20 Ca 0.14 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.94 1r2u h PHE 20 Cb 0.46 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1r2u h PHE 20 CO 0.03 0.57 0.02 -0.22 -1.61 0.00 0.00 178.31 177.11 1r2u h LYS 21 N 1.02 0.10 -0.31 1.51 1.63 -0.61 -0.04 116.57 119.87 1r2u h LYS 21 Ca 0.31 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.06 1r2u h LYS 21 Cb -0.02 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1r2u h LYS 21 CO -0.10 0.24 0.07 0.00 -3.45 0.00 0.00 179.45 176.22 1r2u h ALA 22 N 0.85 0.41 0.00 5.00 0.00 -1.11 0.11 119.26 124.52 1r2u h ALA 22 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1r2u h ALA 22 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r2u h ALA 22 CO -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.30 1r2u h ALA 23 N 0.91 1.55 0.00 0.00 0.00 -0.14 -1.17 119.26 120.40 1r2u h ALA 23 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1r2u h ALA 23 Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1r2u h ALA 23 CO 0.00 0.04 -0.31 0.35 0.00 0.00 0.00 179.25 179.33 1r2u h PHE 24 N 0.00 0.00 -1.00 0.00 3.57 -0.49 -3.35 116.94 115.68 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 0.07 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 1r2u h PHE 24 CO 0.00 0.55 0.63 0.22 -2.23 0.00 0.00 178.31 177.48 1r2u h ASP 25 N -1.00 0.91 -0.53 0.41 1.82 -0.63 0.08 116.42 117.47 1r2u h ASP 25 Ca -0.06 0.05 0.07 0.00 -0.39 0.00 0.00 57.03 56.70 1r2u h ASP 25 Cb 0.61 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 1r2u h ASP 25 CO -0.04 0.48 0.35 0.16 -1.61 0.00 0.00 179.24 178.58 1r2u h ILE 26 N 0.97 0.96 0.00 2.25 3.07 -1.39 -1.27 117.51 122.11 1r2u h ILE 26 Ca 0.49 -0.15 -0.21 0.00 1.55 0.00 0.00 64.86 66.54 1r2u h ILE 26 Cb 0.51 0.48 -0.04 0.00 -0.27 0.00 0.00 36.82 37.50 1r2u h ILE 26 CO -0.26 0.08 -1.36 -0.26 -1.05 0.00 0.00 178.15 175.30 1r2u h PHE 27 N 0.45 0.00 -0.47 0.16 -1.00 -1.31 -3.32 116.94 111.44 1r2u h PHE 27 Ca 0.23 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.89 1r2u h PHE 27 Cb 0.34 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.83 1r2u h PHE 27 CO -0.00 0.79 0.15 -0.89 -1.61 0.00 0.00 178.31 176.75 1r2u n ILE 28 N -3.05 2.03 0.06 -0.55 2.08 -0.13 -4.31 119.36 115.49 1r2u n ILE 28 Ca -0.10 -1.03 0.01 0.00 0.56 0.00 0.00 62.75 62.19 1r2u n ILE 28 Cb 0.92 -0.46 0.34 0.00 -0.75 0.00 0.00 39.64 39.68 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 1.92 0.37 -0.26 0.38 3.07 -1.38 -3.33 115.11 115.89 1r2u h GLN 29 Ca 0.15 -0.09 -0.22 0.00 0.09 0.00 0.00 58.65 58.58 1r2u h GLN 29 Cb 1.73 -0.05 -0.26 0.00 0.08 0.00 0.00 27.48 28.98 1r2u h GLN 29 CO 0.46 0.48 -0.68 -0.40 0.09 0.00 0.00 178.83 178.78 1r2u n ASP 30 N -4.26 -0.16 -4.75 0.06 5.68 -1.26 -5.14 116.55 106.72 1r2u n ASP 30 Ca 0.00 -2.24 -0.31 0.00 -0.50 0.00 0.00 54.79 51.74 1r2u n ASP 30 Cb 0.27 0.20 0.10 0.00 -1.14 0.00 0.00 41.12 40.55 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 -1.58 2.12 -0.05 2.12 0.00 -1.25 -4.99 121.76 118.14 1r2u s ALA 31 Ca 0.19 0.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 1r2u s ALA 31 Cb 0.40 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.96 1r2u s ALA 31 CO -0.07 -1.92 0.97 0.93 0.00 0.00 0.00 175.76 175.66 1r2u h GLU 32 N -1.24 0.24 -0.21 0.00 4.39 -1.95 -3.36 114.58 112.45 1r2u h GLU 32 Ca -0.44 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1r2u h GLU 32 Cb 1.24 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1r2u h GLU 32 CO 0.50 1.08 0.00 -0.25 -1.16 0.00 0.00 179.01 179.18 1r2u n ASP 33 N -4.33 2.48 -0.48 1.42 9.92 -1.26 -4.98 116.55 119.32 1r2u n ASP 33 Ca -0.11 -1.80 -0.02 0.00 -0.53 0.00 0.00 54.79 52.33 1r2u n ASP 33 Cb 0.64 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.46 0.47 3.73 0.44 0.00 -1.26 -5.04 105.19 103.99 1r2u n GLY 34 Ca 0.09 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.11 2.00 0.03 0.00 -5.25 -0.88 -4.73 121.20 109.27 1r2u s ILE 36 Ca 0.18 -1.04 -0.13 0.00 -0.99 0.00 0.00 60.65 58.67 1r2u s ILE 36 Cb -0.04 -2.04 -0.06 0.00 2.95 0.00 0.00 42.46 43.27 1r2u s ILE 36 CO 0.11 0.00 0.41 -0.55 -1.79 0.00 0.00 174.94 173.13 1r2u s SER 37 N -4.67 6.75 0.14 4.36 0.15 -1.26 -0.05 113.70 119.12 1r2u s SER 37 Ca 0.60 0.91 -0.23 0.00 0.70 0.00 0.00 55.95 57.93 1r2u s SER 37 Cb -0.05 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1r2u s SER 37 CO 0.38 0.26 1.64 0.71 1.20 0.00 0.00 173.24 177.43 1r2u h THR 38 N 3.38 0.45 0.00 6.45 1.35 -1.76 -0.01 112.91 122.77 1r2u h THR 38 Ca -0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 1r2u h THR 38 Cb 1.21 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1r2u h THR 38 CO 0.63 0.00 -0.06 0.07 -0.25 0.00 0.00 175.52 175.91 1r2u h LYS 39 N -0.27 0.00 -0.41 4.72 -0.00 -1.95 -2.32 116.57 116.35 1r2u h LYS 39 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.76 1r2u h LYS 39 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.66 1r2u h LYS 39 CO -0.31 0.06 0.00 0.39 -0.00 0.00 0.00 179.45 179.59 1r2u n GLU 40 N -3.27 1.96 -0.15 0.07 1.02 -0.09 -4.17 120.64 116.01 1r2u n GLU 40 Ca -0.01 -1.49 -0.08 0.00 -0.02 0.00 0.00 57.16 55.56 1r2u n GLU 40 Cb 0.27 -1.33 0.07 0.00 -0.02 0.00 0.00 31.44 30.43 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 2.45 0.92 -2.28 -4.62 6.46 -0.75 -2.31 115.31 115.18 1r2u h LEU 41 Ca 0.00 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1r2u h LEU 41 Cb 0.56 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1r2u h LEU 41 CO 0.00 1.02 0.00 1.23 -0.62 0.00 0.00 178.44 180.07 1r2u h GLY 42 N 0.97 0.00 1.03 3.75 0.00 -1.81 -1.63 103.07 105.38 1r2u h GLY 42 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.14 1r2u h GLY 42 CO 0.04 0.00 -1.56 1.70 0.00 0.00 0.00 176.54 176.72 1r2u h LYS 43 N 0.00 0.45 -0.08 4.80 1.63 -1.70 -2.80 116.57 118.87 1r2u h LYS 43 Ca 0.00 -0.77 -0.19 0.00 -0.85 0.00 0.00 60.65 58.84 1r2u h LYS 43 Cb 0.04 0.29 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1r2u h LYS 43 CO 0.00 1.37 -0.75 -0.39 -3.45 0.00 0.00 179.45 176.23 1r2u h VAL 44 N 0.07 1.37 0.00 2.00 -1.51 -1.36 -3.08 116.25 113.73 1r2u h VAL 44 Ca -0.29 -2.14 -0.09 0.00 -1.23 0.00 0.00 66.70 62.95 1r2u h VAL 44 Cb 2.08 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 33.35 1r2u h VAL 44 CO 0.21 0.65 -0.41 0.24 -1.23 0.00 0.00 177.57 177.03 1r2u h MET 45 N 0.30 0.00 -0.88 5.19 2.86 -1.45 -3.12 114.93 117.82 1r2u h MET 45 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1r2u h MET 45 Cb 1.33 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.95 1r2u h MET 45 CO 0.13 0.41 0.52 0.00 1.06 0.00 0.00 176.91 179.03 1r2u h ARG 46 N 0.00 1.21 -0.19 1.72 3.08 -1.40 -1.98 114.38 116.82 1r2u h ARG 46 Ca -0.00 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1r2u h ARG 46 Cb 1.00 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1r2u h ARG 46 CO 0.05 0.86 -0.20 0.52 -1.07 0.00 0.00 179.97 180.13 1r2u h MET 47 N 1.22 0.34 0.81 0.04 2.86 -1.57 -3.20 114.93 115.42 1r2u h MET 47 Ca 0.31 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1r2u h MET 47 Cb -0.02 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.61 1r2u h MET 47 CO -0.06 0.53 -0.39 -0.07 1.06 0.00 0.00 176.91 177.98 1r2u h LEU 48 N 0.31 -0.92 0.00 1.22 3.38 -1.41 -3.46 115.31 114.43 1r2u h LEU 48 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1r2u h LEU 48 Cb 0.53 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1r2u h LEU 48 CO 0.04 -0.58 0.00 0.61 0.09 0.00 0.00 178.44 178.59 1r2u n GLY 49 N -1.14 -1.12 3.31 0.83 0.00 -0.99 -5.14 105.19 100.94 1r2u n GLY 49 Ca -0.14 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 1.04 -0.46 1.61 -0.21 -1.20 -5.03 119.66 115.40 1r2u s GLN 50 Ca 0.00 -0.69 0.07 0.00 0.02 0.00 0.00 55.36 54.75 1r2u s GLN 50 Cb 0.00 0.45 0.26 0.00 1.00 0.00 0.00 33.01 34.72 1r2u s GLN 50 CO 0.00 -0.40 0.85 -1.71 -2.12 0.00 0.00 175.29 171.91 1r2u n ASN 51 N -0.14 -2.07 -2.12 5.90 5.15 -1.26 -4.12 115.26 116.60 1r2u n ASN 51 Ca -0.16 -3.24 0.00 0.00 -0.60 0.00 0.00 54.58 50.58 1r2u n ASN 51 Cb 0.63 1.27 0.00 0.00 -0.53 0.00 0.00 39.78 41.16 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 1.34 0.54 -3.77 1.20 -0.04 -1.26 -5.10 135.00 127.91 1r2u n PRO 52 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1r2u n PRO 52 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.07 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 4.58 0.28 0.52 -4.23 -1.26 -4.96 115.64 110.26 1r2u s THR 53 Ca 0.00 -1.06 0.24 0.00 -1.18 0.00 0.00 61.69 59.69 1r2u s THR 53 Cb 0.00 -3.59 0.24 0.00 1.34 0.00 0.00 72.50 70.49 1r2u s THR 53 CO 0.00 -0.25 1.93 1.55 -0.54 0.00 0.00 174.62 177.30 1r2u h PRO 54 N 1.09 0.00 0.13 3.99 0.13 -1.99 -1.22 132.00 134.14 1r2u h PRO 54 Ca -0.49 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 1r2u h PRO 54 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1r2u h PRO 54 CO 0.57 0.21 -1.38 0.93 -0.23 0.00 0.00 178.00 178.10 1r2u h GLU 55 N 0.00 0.27 0.27 0.86 5.08 -2.00 -3.04 114.58 116.02 1r2u h GLU 55 Ca -0.00 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1r2u h GLU 55 Cb 0.57 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1r2u h GLU 55 CO 0.03 1.18 -0.13 0.93 -1.00 0.00 0.00 179.01 180.02 1r2u h GLU 56 N 0.07 -0.35 -0.30 2.33 4.39 -1.89 -3.26 114.58 115.57 1r2u h GLU 56 Ca -0.19 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.61 1r2u h GLU 56 Cb 2.00 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.72 1r2u h GLU 56 CO 0.19 -0.04 0.21 1.37 -1.16 0.00 0.00 179.01 179.58 1r2u h LEU 57 N -0.97 0.06 -0.25 1.33 8.10 -1.40 -2.52 115.31 119.65 1r2u h LEU 57 Ca -0.04 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.01 1r2u h LEU 57 Cb 0.47 -0.01 -0.06 0.00 -0.44 0.00 0.00 40.66 40.62 1r2u h LEU 57 CO 0.06 0.04 -0.12 -0.61 -4.11 0.00 0.00 178.44 173.70 1r2u h GLN 58 N 0.06 -0.09 -0.99 0.17 5.75 -1.57 -1.18 115.11 117.27 1r2u h GLN 58 Ca 0.14 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.75 1r2u h GLN 58 Cb 0.48 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.97 1r2u h GLN 58 CO -0.01 -0.06 0.63 0.93 -2.65 0.00 0.00 178.83 177.67 1r2u h GLU 59 N -0.09 0.99 -0.41 1.69 5.08 -1.52 -1.94 114.58 118.39 1r2u h GLU 59 Ca 0.13 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1r2u h GLU 59 Cb 0.29 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1r2u h GLU 59 CO -0.31 0.66 -0.02 0.52 -1.00 0.00 0.00 179.01 178.86 1r2u h MET 60 N 1.02 0.73 0.01 2.33 2.86 -1.38 -2.22 114.93 118.29 1r2u h MET 60 Ca 0.47 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1r2u h MET 60 Cb 0.41 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1r2u h MET 60 CO -0.23 0.82 -0.01 0.82 1.06 0.00 0.00 176.91 179.37 1r2u h ILE 61 N 0.56 0.00 -0.84 -1.22 2.04 -0.47 -1.43 117.51 116.15 1r2u h ILE 61 Ca 0.11 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.16 1r2u h ILE 61 Cb 0.50 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1r2u h ILE 61 CO 0.02 0.00 0.56 -2.24 0.00 0.00 0.00 178.15 176.50 1r2u h ASP 62 N -0.02 0.39 -0.81 1.72 3.04 -1.59 0.32 116.42 119.46 1r2u h ASP 62 Ca -0.00 0.03 -0.03 0.00 -3.24 0.00 0.00 57.03 53.79 1r2u h ASP 62 Cb 0.02 -0.04 -0.04 0.00 -1.04 0.00 0.00 39.33 38.23 1r2u h ASP 62 CO -0.00 0.17 0.41 -0.33 -2.04 0.00 0.00 179.24 177.45 1r2u h GLU 63 N 0.39 1.17 0.00 4.15 4.39 -1.13 -2.77 114.58 120.78 1r2u h GLU 63 Ca 0.43 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1r2u h GLU 63 Cb 1.06 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1r2u h GLU 63 CO -0.15 0.89 -0.71 1.33 -1.16 0.00 0.00 179.01 179.21 1r2u n VAL 64 N -4.32 0.14 -1.54 3.13 0.24 -0.30 -4.86 118.33 110.82 1r2u n VAL 64 Ca 0.08 -0.14 -0.39 0.00 -2.04 0.00 0.00 64.34 61.85 1r2u n VAL 64 Cb 0.13 0.17 -0.05 0.00 -1.47 0.00 0.00 33.84 32.63 1r2u n VAL 64 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1r2u n ASP 65 N -1.80 2.21 0.03 -1.34 -0.08 -0.05 -4.65 116.55 110.86 1r2u n ASP 65 Ca 0.04 -0.24 -0.17 0.00 -1.51 0.00 0.00 54.79 52.91 1r2u n ASP 65 Cb 0.39 -1.48 -0.07 0.00 2.34 0.00 0.00 41.12 42.31 1r2u n ASP 65 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1r2u h GLU 66 N 17.42 0.64 0.17 -0.67 5.08 -1.89 -3.34 114.58 132.00 1r2u h GLU 66 Ca -0.25 -0.63 -0.30 0.00 -1.00 0.00 0.00 59.36 57.19 1r2u h GLU 66 Cb 1.27 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.70 1r2u h GLU 66 CO 1.14 1.23 -1.44 -0.44 -1.00 0.00 0.00 179.01 178.50 1r2u h ASP 67 N 0.39 0.56 -1.50 1.42 3.32 -1.93 -3.48 116.42 115.21 1r2u h ASP 67 Ca -0.09 -0.91 -0.10 0.00 0.02 0.00 0.00 57.03 55.95 1r2u h ASP 67 Cb 1.56 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 40.94 1r2u h ASP 67 CO 0.18 1.66 -0.15 0.61 -1.72 0.00 0.00 179.24 179.82 1r2u n GLY 68 N 1.77 0.39 0.10 2.75 0.00 -1.26 -4.98 105.19 103.97 1r2u n GLY 68 Ca -0.22 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 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 0.70 1.86 0.00 1.61 3.41 -1.26 -5.03 113.62 114.91 1r2u n SER 69 Ca -0.03 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1r2u n SER 69 Cb 0.53 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.46 0.60 3.74 5.00 0.00 -1.26 -5.14 105.19 109.59 1r2u n GLY 70 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 4.23 -0.31 2.61 -4.23 -1.26 -2.18 115.64 114.50 1r2u s THR 71 Ca 0.00 -1.11 -0.10 0.00 -1.18 0.00 0.00 61.69 59.31 1r2u s THR 71 Cb 0.00 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 1r2u s THR 71 CO 0.00 -0.04 0.15 -0.69 -0.54 0.00 0.00 174.62 173.50 1r2u s VAL 72 N -1.62 4.58 0.82 2.29 1.01 0.92 -4.83 120.40 123.58 1r2u s VAL 72 Ca 0.29 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1r2u s VAL 72 Cb -0.10 -3.35 0.15 0.00 0.00 0.00 0.00 36.38 33.07 1r2u s VAL 72 CO 0.21 0.05 1.15 -1.81 0.00 0.00 0.00 175.10 174.70 1r2u s ASP 73 N 1.61 3.90 0.54 3.32 1.11 -1.26 -2.07 116.67 123.83 1r2u s ASP 73 Ca 0.04 0.09 0.29 0.00 0.18 0.00 0.00 52.55 53.16 1r2u s ASP 73 Cb -0.17 -0.38 1.57 0.00 1.07 0.00 0.00 42.92 45.01 1r2u s ASP 73 CO 0.06 -2.19 2.11 0.15 1.18 0.00 0.00 175.17 176.48 1r2u h PHE 74 N -1.04 0.00 0.27 4.23 3.57 -1.98 -1.76 116.94 120.22 1r2u h PHE 74 Ca -0.42 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1r2u h PHE 74 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1r2u h PHE 74 CO -0.50 0.09 -0.13 -0.44 -2.23 0.00 0.00 178.31 175.10 1r2u h ASP 75 N 0.00 -0.30 0.82 0.41 5.19 -2.00 -2.45 116.42 118.09 1r2u h ASP 75 Ca -0.00 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1r2u h ASP 75 Cb 0.28 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1r2u h ASP 75 CO 0.01 0.14 0.00 -1.84 -3.12 0.00 0.00 179.24 174.43 1r2u n GLU 76 N -5.06 0.11 0.09 3.56 0.28 -1.18 -2.47 120.64 115.98 1r2u n GLU 76 Ca -0.09 0.27 -0.21 0.00 -0.16 0.00 0.00 57.16 56.97 1r2u n GLU 76 Cb 0.26 -1.69 -0.12 0.00 1.43 0.00 0.00 31.44 31.33 1r2u n GLU 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1r2u h PHE 77 N 0.00 0.95 0.13 -1.84 3.57 -1.25 -3.28 116.94 115.22 1r2u h PHE 77 Ca 0.00 -0.59 -0.28 0.00 3.53 0.00 0.00 57.97 60.64 1r2u h PHE 77 Cb 0.41 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.08 1r2u h PHE 77 CO 0.00 1.43 -1.24 -0.07 -2.23 0.00 0.00 178.31 176.20 1r2u h LEU 78 N 0.28 0.44 -1.93 0.59 3.38 -1.28 -3.29 115.31 113.50 1r2u h LEU 78 Ca -0.17 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.37 1r2u h LEU 78 Cb 1.87 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1r2u h LEU 78 CO 0.23 1.37 0.14 -0.37 0.09 0.00 0.00 178.44 179.90 1r2u h VAL 79 N 0.08 0.94 -0.97 1.22 -1.51 -1.60 -2.44 116.25 111.98 1r2u h VAL 79 Ca -0.14 -0.03 0.18 0.00 -1.23 0.00 0.00 66.70 65.49 1r2u h VAL 79 Cb 1.97 0.85 -0.11 0.00 -2.13 0.00 0.00 31.29 31.87 1r2u h VAL 79 CO 0.21 0.02 0.56 0.24 -1.23 0.00 0.00 177.57 177.37 1r2u h MET 80 N 0.09 0.69 0.08 5.19 2.86 -1.63 0.77 114.93 122.99 1r2u h MET 80 Ca 0.09 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.44 1r2u h MET 80 Cb 0.26 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 80 CO -0.01 0.46 -1.13 0.00 1.06 0.00 0.00 176.91 177.29 1r2u h MET 81 N 0.71 0.26 0.00 1.72 -0.00 -1.65 -3.30 114.93 112.67 1r2u h MET 81 Ca 0.56 -0.39 -0.22 0.00 -0.00 0.00 0.00 59.70 59.65 1r2u h MET 81 Cb 0.87 0.14 -0.04 0.00 -0.00 0.00 0.00 31.60 32.57 1r2u h MET 81 CO -0.39 1.15 -1.32 -0.39 -0.00 0.00 0.00 176.91 175.96 1r2u h VAL 82 N 0.09 1.03 0.00 -0.10 -1.51 -1.38 -3.32 116.25 111.07 1r2u h VAL 82 Ca -0.10 -2.72 0.00 0.00 -1.23 0.00 0.00 66.70 62.64 1r2u h VAL 82 Cb 1.84 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 33.47 1r2u h VAL 82 CO 0.18 0.59 0.00 0.08 -1.23 0.00 0.00 177.57 177.19 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 0.11 0.41 -2.67 114.38 117.42 1r2u h ARG 83 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 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 0.09 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.16 1r2u h MET 85 N 0.00 0.35 -6.51 0.00 -0.00 -1.67 -3.42 114.93 103.69 1r2u h MET 85 Ca 0.00 -0.02 -0.47 0.00 -0.00 0.00 0.00 59.70 59.21 1r2u h MET 85 Cb 0.61 -0.08 0.01 0.00 -0.00 0.00 0.00 31.60 32.14 1r2u h MET 85 CO 0.00 0.23 -0.20 -1.59 -0.00 0.00 0.00 176.91 175.35 1r2u s LYS 86 N -5.35 3.44 0.09 -0.10 -2.85 -1.23 -5.02 119.74 108.71 1r2u s LYS 86 Ca -0.07 -0.40 -0.08 0.00 -1.00 0.00 0.00 55.97 54.42 1r2u s LYS 86 Cb 0.20 -2.67 -0.21 0.00 -2.06 0.00 0.00 37.83 33.09 1r2u s LYS 86 CO 0.75 0.13 1.20 0.22 0.10 0.00 0.00 175.35 177.75 1r2u h ASP 87 N 0.75 0.64 -4.79 0.03 1.82 -1.89 -3.50 116.42 109.49 1r2u h ASP 87 Ca -0.49 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 55.57 1r2u h ASP 87 Cb 1.22 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1r2u h ASP 87 CO 0.61 1.40 -0.60 -0.67 -1.61 0.00 0.00 179.24 178.37 1r2u n ASP 88 N -3.72 -6.85 0.00 2.28 2.03 -1.26 -5.15 116.55 103.88 1r2u n ASP 88 Ca -0.10 0.79 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1r2u n ASP 88 Cb 0.93 -4.54 0.00 0.00 -0.72 0.00 0.00 41.12 36.79 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08