#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 7.32 -0.06 3.17 -0.87 -1.26 -4.92 114.94 118.32 1r2u s ASN 2 Ca 0.00 1.70 0.08 0.00 -1.57 0.00 0.00 52.86 53.07 1r2u s ASN 2 Cb 0.00 -2.57 0.12 0.00 -0.02 0.00 0.00 41.25 38.78 1r2u s ASN 2 CO 0.00 -0.31 1.01 0.47 -2.57 0.00 0.00 177.10 175.70 1r2u n ASP 3 N 4.00 1.60 0.09 -1.22 8.00 -1.26 -4.70 116.55 123.06 1r2u n ASP 3 Ca 0.07 -2.35 -0.01 0.00 0.71 0.00 0.00 54.79 53.21 1r2u n ASP 3 Cb 0.50 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r2u h ILE 4 N 1.46 1.02 -0.03 0.53 -0.00 -1.95 -3.03 117.51 115.51 1r2u h ILE 4 Ca 0.00 -2.53 -0.11 0.00 -0.00 0.00 0.00 64.86 62.22 1r2u h ILE 4 Cb 0.91 2.46 -0.01 0.00 -0.00 0.00 0.00 36.82 40.18 1r2u h ILE 4 CO 0.00 0.58 -0.49 1.88 -0.00 0.00 0.00 178.15 180.12 1r2u h TYR 5 N 0.00 0.08 0.12 0.16 0.05 -1.86 0.26 116.97 115.79 1r2u h TYR 5 Ca -0.06 -0.03 -0.28 0.00 0.05 0.00 0.00 58.73 58.42 1r2u h TYR 5 Cb 1.57 -0.02 0.02 0.00 1.01 0.00 0.00 36.73 39.31 1r2u h TYR 5 CO 0.00 0.55 -1.23 0.87 -1.05 0.00 0.00 178.16 177.30 1r2u h LYS 6 N 0.06 0.44 0.00 4.88 1.79 -1.89 0.14 116.57 121.99 1r2u h LYS 6 Ca -0.00 -0.63 -0.11 0.00 -2.18 0.00 0.00 60.65 57.72 1r2u h LYS 6 Cb 0.89 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 1r2u h LYS 6 CO 0.07 1.28 -0.53 0.00 -1.08 0.00 0.00 179.45 179.18 1r2u h ALA 7 N 0.47 0.75 0.15 3.86 0.00 -1.40 -3.16 119.26 119.93 1r2u h ALA 7 Ca -0.16 -0.48 -0.35 0.00 0.00 0.00 0.00 54.91 53.92 1r2u h ALA 7 Cb 1.92 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1r2u h ALA 7 CO 0.22 0.66 -1.81 0.00 0.00 0.00 0.00 179.25 178.32 1r2u h ALA 8 N 1.47 0.28 -0.51 0.00 0.00 -0.50 -3.32 119.26 116.67 1r2u h ALA 8 Ca -0.01 -1.23 0.03 0.00 0.00 0.00 0.00 54.91 53.71 1r2u h ALA 8 Cb 1.25 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1r2u h ALA 8 CO 0.07 1.15 0.34 -0.24 0.00 0.00 0.00 179.25 180.57 1r2u h VAL 9 N 0.09 1.05 0.00 0.00 3.04 -1.04 0.55 116.25 119.94 1r2u h VAL 9 Ca -0.36 -0.20 -0.05 0.00 -1.01 0.00 0.00 66.70 65.08 1r2u h VAL 9 Cb 2.07 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1r2u h VAL 9 CO 0.15 0.11 -0.26 -0.33 -1.01 0.00 0.00 177.57 176.22 1r2u h GLU 10 N 0.58 0.00 0.06 4.17 4.39 -1.68 -2.78 114.58 119.32 1r2u h GLU 10 Ca 0.21 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.67 1r2u h GLU 10 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1r2u h GLU 10 CO -0.05 0.26 -1.09 1.96 -1.16 0.00 0.00 179.01 178.92 1r2u h GLN 11 N 0.00 0.13 -6.61 2.33 1.08 -1.02 -3.45 115.11 107.58 1r2u h GLN 11 Ca -0.00 -0.22 -0.52 0.00 -1.45 0.00 0.00 58.65 56.46 1r2u h GLN 11 Cb 0.66 0.08 0.04 0.00 -0.05 0.00 0.00 27.48 28.21 1r2u h GLN 11 CO 0.03 1.09 0.86 -0.51 -0.95 0.00 0.00 178.83 179.35 1r2u s LEU 12 N -6.96 4.37 0.37 1.46 1.43 -0.69 -5.01 118.68 113.65 1r2u s LEU 12 Ca -0.01 2.59 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1r2u s LEU 12 Cb 0.09 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 1r2u s LEU 12 CO 0.85 -0.80 0.44 0.42 0.23 0.00 0.00 176.35 177.49 1r2u s THR 13 N 1.10 3.41 0.40 5.49 -4.23 -1.26 -4.99 115.64 115.57 1r2u s THR 13 Ca 0.69 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.14 1r2u s THR 13 Cb -0.43 -3.18 0.23 0.00 1.34 0.00 0.00 72.50 70.47 1r2u s THR 13 CO 0.32 -0.09 2.01 -0.78 -0.54 0.00 0.00 174.62 175.54 1r2u h ASP 14 N 0.92 0.39 -0.54 3.99 1.82 -1.99 -2.10 116.42 118.92 1r2u h ASP 14 Ca -0.43 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1r2u h ASP 14 Cb 1.26 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 41.15 1r2u h ASP 14 CO 0.53 0.35 0.30 -0.33 -1.61 0.00 0.00 179.24 178.48 1r2u h GLU 15 N 0.44 0.75 -0.26 0.28 5.08 -1.98 0.37 114.58 119.26 1r2u h GLU 15 Ca 0.11 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1r2u h GLU 15 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1r2u h GLU 15 CO -0.01 0.58 0.16 1.96 -1.00 0.00 0.00 179.01 180.69 1r2u h GLN 16 N 0.73 0.35 0.00 2.33 4.20 -1.79 -1.26 115.11 119.67 1r2u h GLN 16 Ca 0.19 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 1r2u h GLN 16 Cb 0.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1r2u h GLN 16 CO -0.03 0.27 -0.41 0.87 -0.67 0.00 0.00 178.83 178.87 1r2u h LYS 17 N 0.33 0.00 -0.32 1.46 6.56 -1.21 0.02 116.57 123.41 1r2u h LYS 17 Ca 0.09 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 1r2u h LYS 17 Cb 0.01 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1r2u h LYS 17 CO -0.02 0.41 0.11 -0.91 -2.06 0.00 0.00 179.45 176.98 1r2u h ASN 18 N 0.00 0.46 -0.10 0.86 2.35 0.35 0.25 115.58 119.74 1r2u h ASN 18 Ca -0.00 -0.19 -0.18 0.00 -0.55 0.00 0.00 56.30 55.38 1r2u h ASN 18 Cb 0.72 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1r2u h ASN 18 CO 0.05 0.52 -0.57 -0.33 -1.65 0.00 0.00 177.43 175.46 1r2u h GLU 19 N 0.36 0.69 -0.70 0.81 4.39 -1.05 -2.54 114.58 116.54 1r2u h GLU 19 Ca 0.10 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.31 1r2u h GLU 19 Cb 0.22 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1r2u h GLU 19 CO -0.01 1.07 0.28 0.74 -1.16 0.00 0.00 179.01 179.93 1r2u h PHE 20 N 0.53 1.06 -0.32 4.33 -1.00 -0.77 0.44 116.94 121.21 1r2u h PHE 20 Ca 0.01 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 1r2u h PHE 20 Cb 1.15 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 1r2u h PHE 20 CO 0.06 0.82 0.08 -0.22 -1.61 0.00 0.00 178.31 177.44 1r2u h LYS 21 N 0.99 0.52 -0.36 1.51 1.63 -0.47 -0.79 116.57 119.60 1r2u h LYS 21 Ca 0.23 -0.13 -0.09 0.00 -0.85 0.00 0.00 60.65 59.82 1r2u h LYS 21 Cb 0.21 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1r2u h LYS 21 CO -0.02 0.58 -0.12 0.00 -3.45 0.00 0.00 179.45 176.45 1r2u h ALA 22 N 0.91 0.50 0.00 5.00 0.00 -1.26 -0.10 119.26 124.32 1r2u h ALA 22 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 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 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.59 1r2u h ALA 23 N 0.81 1.50 0.00 0.00 0.00 0.00 -1.32 119.26 120.26 1r2u h ALA 23 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1r2u h ALA 23 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1r2u h ALA 23 CO 0.04 0.05 -0.34 0.35 0.00 0.00 0.00 179.25 179.35 1r2u h PHE 24 N 0.00 0.00 -0.93 0.00 3.04 -0.78 -3.37 116.94 114.90 1r2u h PHE 24 Ca -0.00 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.09 1r2u h PHE 24 Cb 0.10 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.53 1r2u h PHE 24 CO 0.00 0.50 0.59 0.22 -2.02 0.00 0.00 178.31 177.61 1r2u h ASP 25 N -1.00 0.74 -0.92 0.41 1.82 -0.88 -0.77 116.42 115.81 1r2u h ASP 25 Ca -0.06 0.04 0.12 0.00 -0.39 0.00 0.00 57.03 56.74 1r2u h ASP 25 Cb 0.59 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.43 1r2u h ASP 25 CO -0.04 0.37 0.59 0.16 -1.61 0.00 0.00 179.24 178.71 1r2u h ILE 26 N 0.78 0.91 0.02 2.25 3.07 -1.41 -0.78 117.51 122.35 1r2u h ILE 26 Ca 0.47 -0.29 -0.25 0.00 1.55 0.00 0.00 64.86 66.34 1r2u h ILE 26 Cb 0.66 -0.01 -0.03 0.00 -0.27 0.00 0.00 36.82 37.17 1r2u h ILE 26 CO -0.23 0.15 -1.27 -0.26 -1.05 0.00 0.00 178.15 175.49 1r2u h PHE 27 N 0.84 0.08 -0.67 0.16 0.04 -1.41 -3.31 116.94 112.67 1r2u h PHE 27 Ca 0.45 -0.06 -0.45 0.00 2.80 0.00 0.00 57.97 60.71 1r2u h PHE 27 Cb 0.54 -0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.49 1r2u h PHE 27 CO -0.00 1.06 0.58 -0.89 -0.60 0.00 0.00 178.31 178.46 1r2u n ILE 28 N -3.29 3.05 0.08 -0.55 2.08 -0.38 -4.39 119.36 115.96 1r2u n ILE 28 Ca -0.07 -2.06 -0.08 0.00 0.56 0.00 0.00 62.75 61.11 1r2u n ILE 28 Cb 0.99 -1.23 0.03 0.00 -0.75 0.00 0.00 39.64 38.68 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 1.59 0.21 -0.16 0.38 3.07 -1.43 -3.38 115.11 115.39 1r2u h GLN 29 Ca 0.41 -0.20 -0.19 0.00 0.09 0.00 0.00 58.65 58.75 1r2u h GLN 29 Cb 0.98 0.05 -0.25 0.00 0.08 0.00 0.00 27.48 28.34 1r2u h GLN 29 CO 1.04 0.90 -0.60 -0.40 0.09 0.00 0.00 178.83 179.87 1r2u n ASP 30 N -3.72 -0.30 -4.78 0.06 5.68 -1.26 -5.13 116.55 107.09 1r2u n ASP 30 Ca -0.03 -2.14 -0.34 0.00 -0.50 0.00 0.00 54.79 51.78 1r2u n ASP 30 Cb 0.75 0.23 -0.00 0.00 -1.14 0.00 0.00 41.12 40.96 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 -1.31 2.73 -0.07 2.12 0.00 -1.26 -4.98 121.76 118.99 1r2u s ALA 31 Ca 0.16 0.70 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 1r2u s ALA 31 Cb 0.39 -3.32 -0.23 0.00 0.00 0.00 0.00 23.12 19.97 1r2u s ALA 31 CO -0.09 -0.69 1.06 0.93 0.00 0.00 0.00 175.76 176.97 1r2u h GLU 32 N 1.13 0.03 0.02 0.00 5.08 -1.97 -3.35 114.58 115.52 1r2u h GLU 32 Ca -0.49 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 57.55 1r2u h GLU 32 Cb 1.25 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1r2u h GLU 32 CO 0.57 0.73 -1.65 0.22 -1.00 0.00 0.00 179.01 177.89 1r2u h ASP 33 N -0.65 0.05 0.00 1.42 3.58 -2.03 -3.48 116.42 115.31 1r2u h ASP 33 Ca -0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1r2u h ASP 33 Cb 0.74 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1r2u h ASP 33 CO 0.01 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.07 1r2u n GLY 34 N 1.57 1.85 3.39 -0.78 0.00 -1.26 -5.12 105.19 104.84 1r2u n GLY 34 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u n ILE 36 N -0.54 0.00 -3.54 0.00 -6.64 -1.02 -4.82 119.36 102.80 1r2u n ILE 36 Ca 0.03 -1.89 -0.35 0.00 -1.77 0.00 0.00 62.75 58.77 1r2u n ILE 36 Cb 0.62 -0.28 -0.06 0.00 -1.44 0.00 0.00 39.64 38.49 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1r2u s SER 37 N -4.09 6.68 0.17 7.28 0.15 -1.26 -0.29 113.70 122.34 1r2u s SER 37 Ca 0.40 0.84 -0.15 0.00 0.70 0.00 0.00 55.95 57.75 1r2u s SER 37 Cb -0.03 -2.20 0.09 0.00 -1.71 0.00 0.00 66.02 62.18 1r2u s SER 37 CO 0.25 0.17 1.77 0.71 1.20 0.00 0.00 173.24 177.35 1r2u h THR 38 N 2.91 0.94 0.00 6.45 1.35 -1.89 -0.85 112.91 121.83 1r2u h THR 38 Ca -0.49 -0.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 1r2u h THR 38 Cb 1.19 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1r2u h THR 38 CO 0.66 0.07 -0.09 0.07 -0.25 0.00 0.00 175.52 175.98 1r2u h LYS 39 N 0.41 0.00 -0.01 4.72 2.10 -1.94 -1.19 116.57 120.65 1r2u h LYS 39 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1r2u h LYS 39 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1r2u h LYS 39 CO -0.15 0.09 -0.03 0.39 -2.00 0.00 0.00 179.45 177.76 1r2u n GLU 40 N -3.94 1.32 0.11 0.07 1.02 -0.38 -3.91 120.64 114.94 1r2u n GLU 40 Ca -0.02 -0.59 -0.01 0.00 -0.02 0.00 0.00 57.16 56.52 1r2u n GLU 40 Cb 0.18 -1.49 0.25 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.43 0.20 -0.09 -4.62 5.85 -0.64 -2.13 115.31 115.31 1r2u h LEU 41 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1r2u h LEU 41 Cb 0.35 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1r2u h LEU 41 CO 0.00 0.59 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 1r2u n GLY 42 N -0.24 -1.25 0.11 3.75 0.00 -1.25 -2.97 105.19 103.35 1r2u n GLY 42 Ca -0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1r2u n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r2u h LYS 43 N 0.00 0.21 -0.13 1.61 1.63 -1.62 -3.32 116.57 114.94 1r2u h LYS 43 Ca 0.00 -0.35 -0.07 0.00 -0.85 0.00 0.00 60.65 59.37 1r2u h LYS 43 Cb 0.38 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1r2u h LYS 43 CO 0.00 1.03 -0.24 -0.39 -3.45 0.00 0.00 179.45 176.40 1r2u h VAL 44 N 0.06 1.23 -0.59 2.00 -1.51 -1.45 -1.96 116.25 114.04 1r2u h VAL 44 Ca -0.27 -1.09 -0.06 0.00 -1.23 0.00 0.00 66.70 64.05 1r2u h VAL 44 Cb 2.01 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 32.55 1r2u h VAL 44 CO 0.14 0.33 0.14 0.24 -1.23 0.00 0.00 177.57 177.18 1r2u h MET 45 N 0.21 0.91 -0.12 5.19 2.86 -1.68 -0.46 114.93 121.84 1r2u h MET 45 Ca 0.03 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.34 1r2u h MET 45 Cb 0.55 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1r2u h MET 45 CO 0.04 0.82 -0.53 0.00 1.06 0.00 0.00 176.91 178.30 1r2u h ARG 46 N 0.88 0.35 -0.20 1.72 3.08 -1.54 0.21 114.38 118.87 1r2u h ARG 46 Ca 0.19 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1r2u h ARG 46 Cb 0.32 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1r2u h ARG 46 CO 0.00 0.79 -0.48 1.98 -1.07 0.00 0.00 179.97 181.19 1r2u h MET 47 N 0.27 0.54 0.31 0.04 4.05 -0.80 -3.33 114.93 116.01 1r2u h MET 47 Ca 0.01 -0.31 -0.02 0.00 -0.28 0.00 0.00 59.70 59.11 1r2u h MET 47 Cb 1.02 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1r2u h MET 47 CO 0.09 0.90 -0.15 -0.07 0.23 0.00 0.00 176.91 177.91 1r2u h LEU 48 N 0.43 -0.35 0.00 3.39 3.38 -0.99 -3.48 115.31 117.69 1r2u h LEU 48 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r2u h LEU 48 Cb 1.00 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1r2u h LEU 48 CO 0.09 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1r2u n GLY 49 N 0.66 -1.81 3.60 0.83 0.00 -0.64 -5.11 105.19 102.71 1r2u n GLY 49 Ca -0.06 0.59 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 1.59 -0.48 1.61 -0.21 -0.03 -4.99 119.66 117.15 1r2u s GLN 50 Ca 0.00 -1.27 0.06 0.00 0.02 0.00 0.00 55.36 54.17 1r2u s GLN 50 Cb 0.00 0.48 0.21 0.00 1.00 0.00 0.00 33.01 34.70 1r2u s GLN 50 CO 0.00 -0.66 0.69 -1.71 -2.12 0.00 0.00 175.29 171.49 1r2u n ASN 51 N -0.45 -2.42 -2.17 5.90 2.85 -1.26 -3.84 115.26 113.87 1r2u n ASN 51 Ca -0.02 -2.92 0.00 0.00 -0.11 0.00 0.00 54.58 51.53 1r2u n ASN 51 Cb 0.62 1.14 0.00 0.00 1.24 0.00 0.00 39.78 42.78 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 2.37 0.40 -4.08 1.20 -0.04 -1.26 -5.12 135.00 128.48 1r2u n PRO 52 Ca 0.18 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 1r2u n PRO 52 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.51 2.12 0.23 0.52 -4.23 -1.26 -4.97 115.64 107.53 1r2u s THR 53 Ca 0.00 -1.65 0.14 0.00 -1.18 0.00 0.00 61.69 59.01 1r2u s THR 53 Cb 0.00 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 71.12 1r2u s THR 53 CO 0.00 0.00 1.67 1.55 -0.54 0.00 0.00 174.62 177.30 1r2u h PRO 54 N 1.25 0.00 0.09 3.99 0.13 -1.99 -1.17 132.00 134.30 1r2u h PRO 54 Ca -0.42 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.42 1r2u h PRO 54 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1r2u h PRO 54 CO 0.67 0.50 -1.45 0.93 -0.23 0.00 0.00 178.00 178.42 1r2u h GLU 55 N 0.00 0.20 0.25 0.86 5.08 -1.99 -3.07 114.58 115.91 1r2u h GLU 55 Ca -0.01 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1r2u h GLU 55 Cb 1.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1r2u h GLU 55 CO 0.07 1.05 -0.12 1.49 -1.00 0.00 0.00 179.01 180.50 1r2u h GLU 56 N 0.05 -0.32 0.00 2.33 4.81 -1.94 -3.08 114.58 116.42 1r2u h GLU 56 Ca -0.21 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1r2u h GLU 56 Cb 1.98 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.43 1r2u h GLU 56 CO 0.15 0.04 -0.04 1.37 -0.73 0.00 0.00 179.01 179.81 1r2u h LEU 57 N -0.85 0.00 -0.49 1.64 -0.00 -1.38 -2.21 115.31 112.02 1r2u h LEU 57 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.76 1r2u h LEU 57 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 1r2u h LEU 57 CO 0.06 0.04 -0.04 -0.61 -0.00 0.00 0.00 178.44 177.88 1r2u h GLN 58 N 0.00 0.90 -0.69 0.17 -0.00 -1.50 -2.62 115.11 111.36 1r2u h GLN 58 Ca -0.00 -0.31 -0.05 0.00 -0.00 0.00 0.00 58.65 58.30 1r2u h GLN 58 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.58 1r2u h GLN 58 CO 0.00 0.95 0.24 0.93 0.00 0.00 0.00 178.83 180.96 1r2u h GLU 59 N 0.75 1.05 -0.53 1.69 5.08 -1.32 -2.07 114.58 119.24 1r2u h GLU 59 Ca 0.13 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1r2u h GLU 59 Cb 0.57 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1r2u h GLU 59 CO 0.03 0.88 0.35 0.52 -1.00 0.00 0.00 179.01 179.79 1r2u h MET 60 N 1.02 0.61 0.00 2.33 2.86 -1.39 -0.60 114.93 119.76 1r2u h MET 60 Ca 0.23 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1r2u h MET 60 Cb 0.25 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 60 CO -0.01 0.40 0.00 -0.89 1.06 0.00 0.00 176.91 177.47 1r2u n ILE 61 N -4.47 0.00 -0.00 -1.22 2.08 -0.78 -0.78 119.36 114.18 1r2u n ILE 61 Ca 0.06 1.35 0.17 0.00 0.56 0.00 0.00 62.75 64.89 1r2u n ILE 61 Cb 0.12 -2.25 0.64 0.00 -0.75 0.00 0.00 39.64 37.40 1r2u n ILE 61 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1r2u h ASP 62 N 0.00 0.10 -0.35 4.38 3.32 -1.55 0.37 116.42 122.68 1r2u h ASP 62 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1r2u h ASP 62 Cb 0.00 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1r2u h ASP 62 CO 0.00 0.06 0.13 -0.33 -1.72 0.00 0.00 179.24 177.38 1r2u h GLU 63 N 0.11 0.53 0.00 3.56 4.39 -0.89 -3.06 114.58 119.21 1r2u h GLU 63 Ca 0.24 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1r2u h GLU 63 Cb 0.82 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1r2u h GLU 63 CO -0.03 0.53 -0.76 1.33 -1.16 0.00 0.00 179.01 178.92 1r2u n VAL 64 N -4.68 0.29 -2.12 3.13 0.24 0.04 -4.60 118.33 110.62 1r2u n VAL 64 Ca -0.01 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 1r2u n VAL 64 Cb 0.15 -0.01 -0.00 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.05 4.32 0.19 -1.34 2.03 0.12 -4.50 116.55 115.32 1r2u n ASP 65 Ca 0.03 -2.87 0.13 0.00 0.52 0.00 0.00 54.79 52.60 1r2u n ASP 65 Cb 0.44 -1.69 0.39 0.00 -0.72 0.00 0.00 41.12 39.53 1r2u n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1r2u h GLU 66 N 6.88 0.00 0.09 -0.67 5.08 -1.81 -3.28 114.58 120.86 1r2u h GLU 66 Ca 0.50 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.62 1r2u h GLU 66 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1r2u h GLU 66 CO 1.67 0.00 -1.24 -0.44 -1.00 0.00 0.00 179.01 178.01 1r2u h ASP 67 N 0.00 0.30 -0.81 1.42 3.32 -1.96 -3.49 116.42 115.20 1r2u h ASP 67 Ca 0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 57.03 56.20 1r2u h ASP 67 Cb 0.74 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1r2u h ASP 67 CO 0.00 1.54 -0.04 0.61 -1.72 0.00 0.00 179.24 179.63 1r2u n GLY 68 N 1.69 0.64 0.10 2.75 0.00 -1.24 -4.99 105.19 104.14 1r2u n GLY 68 Ca -0.24 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 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 1.47 1.87 0.00 1.61 3.41 -1.26 -5.03 113.62 115.68 1r2u n SER 69 Ca -0.01 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1r2u n SER 69 Cb 0.51 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 1.20 3.84 5.00 0.00 -1.26 -5.13 105.19 110.29 1r2u n GLY 70 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 4.92 -0.34 2.61 -4.23 -1.26 -3.13 115.64 114.21 1r2u s THR 71 Ca 0.00 -0.63 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1r2u s THR 71 Cb 0.00 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.42 1r2u s THR 71 CO 0.00 0.10 0.28 -0.69 -0.54 0.00 0.00 174.62 173.77 1r2u s VAL 72 N -1.48 5.25 0.77 2.29 1.01 0.61 -4.89 120.40 123.96 1r2u s VAL 72 Ca 0.32 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1r2u s VAL 72 Cb -0.12 -3.75 0.17 0.00 0.00 0.00 0.00 36.38 32.67 1r2u s VAL 72 CO 0.25 -0.04 1.05 0.47 0.00 0.00 0.00 175.10 176.83 1r2u n ASP 73 N 5.20 0.54 0.14 3.32 9.92 -1.26 -2.44 116.55 131.97 1r2u n ASP 73 Ca -0.11 -1.66 -0.01 0.00 -0.53 0.00 0.00 54.79 52.48 1r2u n ASP 73 Cb 0.50 -0.76 0.24 0.00 -0.64 0.00 0.00 41.12 40.46 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 -1.23 0.10 -0.66 1.24 3.57 -1.97 0.16 116.94 118.15 1r2u h PHE 74 Ca -0.34 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.06 1r2u h PHE 74 Cb 1.06 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1r2u h PHE 74 CO 0.00 0.55 0.16 -0.44 -2.23 0.00 0.00 178.31 176.34 1r2u h ASP 75 N 0.07 1.00 1.47 0.41 5.19 -1.97 0.23 116.42 122.81 1r2u h ASP 75 Ca 0.00 -0.21 -0.11 0.00 -0.62 0.00 0.00 57.03 56.09 1r2u h ASP 75 Cb 0.88 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 1r2u h ASP 75 CO 0.07 0.96 -0.53 -0.33 -3.12 0.00 0.00 179.24 176.29 1r2u h GLU 76 N 1.00 0.00 -0.17 3.56 5.08 -1.72 -2.49 114.58 119.84 1r2u h GLU 76 Ca 0.21 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1r2u h GLU 76 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1r2u h GLU 76 CO 0.00 0.51 -0.73 0.35 -1.00 0.00 0.00 179.01 178.15 1r2u h PHE 77 N 0.00 1.01 0.07 4.33 3.57 -0.01 -3.08 116.94 122.83 1r2u h PHE 77 Ca -0.01 -0.43 -0.19 0.00 3.53 0.00 0.00 57.97 60.88 1r2u h PHE 77 Cb 1.40 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 40.00 1r2u h PHE 77 CO 0.00 1.25 -0.77 -0.07 -2.23 0.00 0.00 178.31 176.50 1r2u h LEU 78 N 0.53 0.56 -2.22 0.59 3.38 -0.60 -3.28 115.31 114.27 1r2u h LEU 78 Ca -0.04 -0.84 0.02 0.00 0.09 0.00 0.00 57.88 57.12 1r2u h LEU 78 Cb 1.35 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1r2u h LEU 78 CO 0.15 1.34 0.07 -0.37 0.09 0.00 0.00 178.44 179.72 1r2u h VAL 79 N -0.14 0.69 -1.18 1.22 -1.51 -1.54 -2.54 116.25 111.24 1r2u h VAL 79 Ca -0.11 0.00 0.34 0.00 -1.23 0.00 0.00 66.70 65.70 1r2u h VAL 79 Cb 1.51 0.94 -0.09 0.00 -2.13 0.00 0.00 31.29 31.53 1r2u h VAL 79 CO 0.15 0.00 0.79 0.24 -1.23 0.00 0.00 177.57 177.52 1r2u h MET 80 N 0.00 0.20 0.04 5.19 2.86 -1.59 0.76 114.93 122.39 1r2u h MET 80 Ca 0.04 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1r2u h MET 80 Cb 0.19 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1r2u h MET 80 CO -0.00 0.13 -0.25 0.52 1.06 0.00 0.00 176.91 178.38 1r2u h MET 81 N 0.21 0.09 -0.05 1.72 2.86 -1.68 -3.35 114.93 114.73 1r2u h MET 81 Ca 0.66 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 58.03 1r2u h MET 81 Cb 2.05 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.75 1r2u h MET 81 CO -0.25 1.07 -0.50 -0.39 1.06 0.00 0.00 176.91 177.90 1r2u h VAL 82 N -0.80 1.35 0.00 -2.22 -1.51 -1.33 -2.93 116.25 108.81 1r2u h VAL 82 Ca -0.04 -1.74 -0.00 0.00 -1.23 0.00 0.00 66.70 63.69 1r2u h VAL 82 Cb 1.19 1.87 -0.00 0.00 -2.13 0.00 0.00 31.29 32.23 1r2u h VAL 82 CO 0.05 0.51 -0.01 0.08 -1.23 0.00 0.00 177.57 176.97 1r2u h ARG 83 N 0.11 0.00 0.00 5.19 0.11 0.33 -1.39 114.38 118.73 1r2u h ARG 83 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r2u h ARG 83 Cb 0.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1r2u h ARG 83 CO 0.07 0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.15 1r2u h MET 85 N 0.00 0.52 -6.11 0.00 4.05 -1.44 -3.40 114.93 108.54 1r2u h MET 85 Ca 0.00 -0.03 -0.59 0.00 -0.28 0.00 0.00 59.70 58.80 1r2u h MET 85 Cb 0.34 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 1r2u h MET 85 CO 0.00 0.34 -0.10 0.15 0.23 0.00 0.00 176.91 177.53 1r2u s LYS 86 N -6.10 4.11 -0.13 0.39 1.02 -1.14 -4.98 119.74 112.90 1r2u s LYS 86 Ca -0.13 0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1r2u s LYS 86 Cb 0.16 -3.25 -0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1r2u s LYS 86 CO 0.75 0.61 -0.12 -0.40 -0.92 0.00 0.00 175.35 175.27 1r2u n ASP 87 N 1.94 2.91 -3.72 2.83 5.75 -1.26 -5.02 116.55 119.97 1r2u n ASP 87 Ca -0.11 -0.06 -0.23 0.00 -0.01 0.00 0.00 54.79 54.38 1r2u n ASP 87 Cb 0.51 -0.21 0.03 0.00 -1.03 0.00 0.00 41.12 40.41 1r2u n ASP 87 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1r2u n ASP 88 N -2.91 -1.66 0.00 -1.12 9.92 -1.26 -5.20 116.55 114.32 1r2u n ASP 88 Ca -0.23 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 1r2u n ASP 88 Cb 0.74 -3.85 0.00 0.00 -0.64 0.00 0.00 41.12 37.37 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13