#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 -0.31 0.00 6.12 3.84 -1.26 -5.05 114.94 118.29 1r2u s ASN 2 Ca 0.00 -0.05 0.25 0.00 0.21 0.00 0.00 52.86 53.27 1r2u s ASN 2 Cb 0.00 0.45 0.42 0.00 -0.55 0.00 0.00 41.25 41.57 1r2u s ASN 2 CO 0.00 -0.73 1.35 0.47 -2.79 0.00 0.00 177.10 175.40 1r2u n ASP 3 N 0.27 1.31 0.15 -4.21 9.92 -1.26 -4.08 116.55 118.65 1r2u n ASP 3 Ca -0.18 -1.05 0.01 0.00 -0.53 0.00 0.00 54.79 53.04 1r2u n ASP 3 Cb 0.61 0.32 0.18 0.00 -0.64 0.00 0.00 41.12 41.58 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 1.44 1.18 -0.22 0.53 -0.00 -1.91 -2.52 117.51 116.01 1r2u h ILE 4 Ca 0.00 -2.08 -0.11 0.00 -0.00 0.00 0.00 64.86 62.67 1r2u h ILE 4 Cb 0.59 2.19 -0.01 0.00 -0.00 0.00 0.00 36.82 39.59 1r2u h ILE 4 CO 0.00 0.55 -0.35 1.88 -0.00 0.00 0.00 178.15 180.22 1r2u h TYR 5 N 0.00 0.54 -0.21 0.16 0.05 -1.90 0.99 116.97 116.59 1r2u h TYR 5 Ca -0.01 -0.14 -0.18 0.00 0.05 0.00 0.00 58.73 58.45 1r2u h TYR 5 Cb 1.15 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1r2u h TYR 5 CO 0.00 0.76 -0.58 0.87 -1.05 0.00 0.00 178.16 178.16 1r2u h LYS 6 N 0.39 0.77 -0.44 4.88 1.79 -1.75 -1.24 116.57 120.97 1r2u h LYS 6 Ca 0.04 -0.54 -0.09 0.00 -2.18 0.00 0.00 60.65 57.88 1r2u h LYS 6 Cb 0.80 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.52 1r2u h LYS 6 CO 0.07 1.16 -0.09 0.00 -1.08 0.00 0.00 179.45 179.51 1r2u h ALA 7 N 0.61 1.01 0.00 3.86 0.00 -1.27 -2.62 119.26 120.85 1r2u h ALA 7 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1r2u h ALA 7 Cb 1.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1r2u h ALA 7 CO 0.12 0.60 -0.51 0.00 0.00 0.00 0.00 179.25 179.46 1r2u h ALA 8 N 1.19 1.01 -0.68 0.00 0.00 -0.72 -3.16 119.26 116.89 1r2u h ALA 8 Ca 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1r2u h ALA 8 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1r2u h ALA 8 CO 0.03 0.64 0.45 0.28 0.00 0.00 0.00 179.25 180.65 1r2u h VAL 9 N 0.00 1.17 -0.00 0.00 2.07 -0.83 0.37 116.25 119.03 1r2u h VAL 9 Ca -0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1r2u h VAL 9 Cb 0.99 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1r2u h VAL 9 CO 0.07 0.17 -0.01 -0.62 0.02 0.00 0.00 177.57 177.19 1r2u n GLU 10 N -4.61 0.91 -0.02 1.57 1.02 -1.20 -3.65 120.64 114.65 1r2u n GLU 10 Ca 0.06 -0.10 0.01 0.00 -0.02 0.00 0.00 57.16 57.11 1r2u n GLU 10 Cb 0.02 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 1r2u n GLU 10 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1r2u n GLN 11 N -0.96 1.13 -1.15 3.49 1.13 -0.53 -5.04 117.38 115.45 1r2u n GLN 11 Ca 0.21 -0.05 -0.33 0.00 -1.94 0.00 0.00 57.00 54.89 1r2u n GLN 11 Cb 0.17 -1.19 0.12 0.00 0.11 0.00 0.00 30.24 29.45 1r2u n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1r2u s LEU 12 N -3.91 3.12 0.31 1.08 0.05 0.12 -5.05 118.68 114.40 1r2u s LEU 12 Ca -0.03 2.24 0.04 0.00 0.05 0.00 0.00 54.13 56.43 1r2u s LEU 12 Cb 0.04 -4.57 -0.06 0.00 -2.05 0.00 0.00 46.19 39.55 1r2u s LEU 12 CO 0.33 -2.54 0.04 0.42 -0.55 0.00 0.00 176.35 174.05 1r2u s THR 13 N -2.32 1.21 0.31 5.48 -4.23 -1.26 -5.03 115.64 109.80 1r2u s THR 13 Ca 0.70 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1r2u s THR 13 Cb -0.26 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 70.90 1r2u s THR 13 CO 0.51 -0.06 1.72 0.44 -0.54 0.00 0.00 174.62 176.69 1r2u h ASP 14 N 2.16 0.09 -0.37 3.99 3.32 -2.00 -2.95 116.42 120.66 1r2u h ASP 14 Ca -0.40 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 1r2u h ASP 14 Cb 1.24 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1r2u h ASP 14 CO 0.69 0.54 0.00 -0.33 -1.72 0.00 0.00 179.24 178.42 1r2u h GLU 15 N 0.07 0.75 -0.25 3.56 5.08 -1.98 -0.69 114.58 121.11 1r2u h GLU 15 Ca 0.00 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1r2u h GLU 15 Cb 0.85 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1r2u h GLU 15 CO 0.06 0.76 -0.06 -0.56 -1.00 0.00 0.00 179.01 178.21 1r2u h GLN 16 N 0.70 0.40 0.00 2.33 -0.00 -1.93 -1.33 115.11 115.28 1r2u h GLN 16 Ca 0.14 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1r2u h GLN 16 Cb 0.43 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.84 1r2u h GLN 16 CO 0.02 0.48 -0.72 0.87 -0.00 0.00 0.00 178.83 179.48 1r2u h LYS 17 N 0.38 0.00 -0.16 0.06 6.56 -1.52 -2.71 116.57 119.18 1r2u h LYS 17 Ca 0.08 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.54 1r2u h LYS 17 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1r2u h LYS 17 CO 0.02 0.14 -0.39 -0.97 -2.06 0.00 0.00 179.45 176.18 1r2u h ASN 18 N 0.00 0.63 -0.28 0.86 -1.24 -0.52 0.24 115.58 115.27 1r2u h ASN 18 Ca -0.03 -0.57 -0.11 0.00 0.71 0.00 0.00 56.30 56.30 1r2u h ASN 18 Cb 1.18 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 1r2u h ASN 18 CO 0.02 1.09 -0.24 -0.33 -1.29 0.00 0.00 177.43 176.67 1r2u h GLU 19 N 0.20 0.65 -0.62 6.67 4.39 -1.36 -1.93 114.58 122.58 1r2u h GLU 19 Ca -0.00 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 1r2u h GLU 19 Cb 1.00 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 1r2u h GLU 19 CO 0.09 0.94 0.13 0.74 -1.16 0.00 0.00 179.01 179.74 1r2u h PHE 20 N 0.38 1.03 -0.57 4.33 -1.00 -1.49 0.28 116.94 119.91 1r2u h PHE 20 Ca 0.05 -0.12 -0.10 0.00 2.81 0.00 0.00 57.97 60.61 1r2u h PHE 20 Cb 0.80 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 1r2u h PHE 20 CO 0.07 0.86 -0.04 -0.22 -1.61 0.00 0.00 178.31 177.37 1r2u h LYS 21 N 0.94 1.04 -0.25 1.51 1.63 -0.44 -0.26 116.57 120.72 1r2u h LYS 21 Ca 0.20 -0.35 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 1r2u h LYS 21 Cb 0.36 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1r2u h LYS 21 CO 0.00 1.04 -0.08 0.00 -3.45 0.00 0.00 179.45 176.96 1r2u h ALA 22 N 0.96 0.35 0.00 5.00 0.00 -1.07 0.36 119.26 124.86 1r2u h ALA 22 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 22 Cb 0.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1r2u h ALA 22 CO 0.04 0.17 -0.08 0.00 0.00 0.00 0.00 179.25 179.38 1r2u h ALA 23 N 0.75 1.19 0.00 0.00 0.00 -0.83 -1.70 119.26 118.66 1r2u h ALA 23 Ca 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1r2u h ALA 23 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1r2u h ALA 23 CO 0.03 0.10 -0.55 0.35 0.00 0.00 0.00 179.25 179.17 1r2u h PHE 24 N 0.00 0.00 -0.88 0.00 3.04 -0.68 -3.38 116.94 115.04 1r2u h PHE 24 Ca -0.00 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.06 1r2u h PHE 24 Cb 0.31 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.75 1r2u h PHE 24 CO 0.00 0.71 0.57 0.22 -2.02 0.00 0.00 178.31 177.79 1r2u h ASP 25 N -1.00 0.73 -0.86 0.41 1.82 -0.22 -0.64 116.42 116.66 1r2u h ASP 25 Ca -0.12 0.03 0.11 0.00 -0.39 0.00 0.00 57.03 56.67 1r2u h ASP 25 Cb 0.78 -0.12 -0.06 0.00 0.68 0.00 0.00 39.33 40.61 1r2u h ASP 25 CO -0.07 0.40 0.56 0.16 -1.61 0.00 0.00 179.24 178.68 1r2u h ILE 26 N 0.79 0.92 0.00 2.25 3.07 -1.49 -0.62 117.51 122.43 1r2u h ILE 26 Ca 0.42 -0.27 -0.23 0.00 1.55 0.00 0.00 64.86 66.34 1r2u h ILE 26 Cb 0.54 0.08 -0.04 0.00 -0.27 0.00 0.00 36.82 37.12 1r2u h ILE 26 CO -0.19 0.14 -1.34 -0.26 -1.05 0.00 0.00 178.15 175.46 1r2u h PHE 27 N 0.77 0.00 -0.51 0.16 0.04 -1.45 -3.31 116.94 112.65 1r2u h PHE 27 Ca 0.41 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.98 1r2u h PHE 27 Cb 0.52 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.55 1r2u h PHE 27 CO -0.00 0.89 0.26 -0.89 -0.60 0.00 0.00 178.31 177.96 1r2u n ILE 28 N -3.13 2.09 0.02 -0.55 2.08 -0.35 -4.29 119.36 115.22 1r2u n ILE 28 Ca -0.09 -1.04 -0.03 0.00 0.56 0.00 0.00 62.75 62.15 1r2u n ILE 28 Cb 0.96 -0.57 0.22 0.00 -0.75 0.00 0.00 39.64 39.49 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 1.24 0.47 -0.32 0.38 3.07 -1.25 -3.34 115.11 115.36 1r2u h GLN 29 Ca 0.25 -0.17 -0.23 0.00 0.09 0.00 0.00 58.65 58.59 1r2u h GLN 29 Cb 1.87 -0.03 -0.31 0.00 0.08 0.00 0.00 27.48 29.09 1r2u h GLN 29 CO 0.53 0.67 -0.81 -3.47 0.09 0.00 0.00 178.83 175.85 1r2u n ASP 30 N -4.14 0.38 -4.78 0.06 2.03 -1.26 -5.12 116.55 103.71 1r2u n ASP 30 Ca -0.00 -2.17 -0.35 0.00 0.52 0.00 0.00 54.79 52.79 1r2u n ASP 30 Cb 0.39 -0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r2u s ALA 31 N -2.25 2.76 -0.03 -1.67 0.00 -1.25 -4.98 121.76 114.34 1r2u s ALA 31 Ca 0.21 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.65 1r2u s ALA 31 Cb 0.38 -3.31 -0.21 0.00 0.00 0.00 0.00 23.12 19.98 1r2u s ALA 31 CO -0.06 -0.60 1.12 0.93 0.00 0.00 0.00 175.76 177.15 1r2u h GLU 32 N 1.30 0.17 0.03 0.00 5.08 -1.96 -3.37 114.58 115.83 1r2u h GLU 32 Ca -0.50 -0.14 -0.35 0.00 -1.00 0.00 0.00 59.36 57.36 1r2u h GLU 32 Cb 1.24 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1r2u h GLU 32 CO 0.58 0.81 -2.16 -3.47 -1.00 0.00 0.00 179.01 173.77 1r2u n ASP 33 N -4.58 1.16 0.00 1.42 2.03 -1.26 -5.01 116.55 110.31 1r2u n ASP 33 Ca -0.09 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1r2u n ASP 33 Cb 0.43 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r2u n GLY 34 N 1.88 1.78 3.35 0.27 0.00 -1.26 -5.14 105.19 106.08 1r2u n GLY 34 Ca -0.32 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.47 2.11 0.27 0.00 -5.25 -1.11 -4.80 121.20 108.94 1r2u s ILE 36 Ca 0.36 -1.38 -0.02 0.00 -0.99 0.00 0.00 60.65 58.63 1r2u s ILE 36 Cb 0.02 -2.49 -0.04 0.00 2.95 0.00 0.00 42.46 42.90 1r2u s ILE 36 CO 0.21 0.00 0.49 -0.55 -1.79 0.00 0.00 174.94 173.30 1r2u s SER 37 N -4.26 6.38 0.08 4.36 0.15 -1.26 0.04 113.70 119.19 1r2u s SER 37 Ca 0.43 0.51 -0.28 0.00 0.70 0.00 0.00 55.95 57.32 1r2u s SER 37 Cb -0.03 -2.06 -0.16 0.00 -1.71 0.00 0.00 66.02 62.07 1r2u s SER 37 CO 0.26 -0.16 1.67 0.71 1.20 0.00 0.00 173.24 176.92 1r2u h THR 38 N 1.25 0.60 0.00 6.45 1.35 -1.91 -1.97 112.91 118.68 1r2u h THR 38 Ca -0.48 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 1r2u h THR 38 Cb 1.20 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1r2u h THR 38 CO 0.65 0.00 -0.03 0.07 -0.25 0.00 0.00 175.52 175.97 1r2u h LYS 39 N -0.49 0.00 0.00 4.72 2.10 -1.95 -1.60 116.57 119.34 1r2u h LYS 39 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1r2u h LYS 39 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1r2u h LYS 39 CO 0.04 0.03 0.00 0.39 -2.00 0.00 0.00 179.45 177.91 1r2u n GLU 40 N -3.26 0.61 -0.28 0.07 -0.58 -0.76 -3.62 120.64 112.83 1r2u n GLU 40 Ca -0.02 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1r2u n GLU 40 Cb 0.17 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.00 1.06 -0.93 -4.62 7.12 -1.15 -1.57 115.31 115.23 1r2u h LEU 41 Ca 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.84 1r2u h LEU 41 Cb 0.18 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1r2u h LEU 41 CO 0.00 0.94 0.00 0.61 -0.13 0.00 0.00 178.44 179.86 1r2u n GLY 42 N -0.87 -0.96 0.14 3.75 0.00 -1.24 -2.30 105.19 103.71 1r2u n GLY 42 Ca 0.07 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1r2u n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r2u h LYS 43 N 0.00 0.37 -0.08 1.61 1.79 -1.51 -3.29 116.57 115.47 1r2u h LYS 43 Ca 0.00 -0.63 -0.10 0.00 -2.18 0.00 0.00 60.65 57.74 1r2u h LYS 43 Cb 0.13 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1r2u h LYS 43 CO 0.00 1.30 -0.41 -0.39 -1.08 0.00 0.00 179.45 178.87 1r2u h VAL 44 N -0.07 1.31 -0.34 0.50 -1.51 -1.37 -2.71 116.25 112.05 1r2u h VAL 44 Ca -0.29 -1.49 -0.05 0.00 -1.23 0.00 0.00 66.70 63.65 1r2u h VAL 44 Cb 1.95 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 32.80 1r2u h VAL 44 CO 0.16 0.44 0.02 0.24 -1.23 0.00 0.00 177.57 177.20 1r2u h MET 45 N 0.14 0.52 -0.13 5.19 2.86 -1.61 0.72 114.93 122.61 1r2u h MET 45 Ca 0.01 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.39 1r2u h MET 45 Cb 0.79 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1r2u h MET 45 CO 0.06 0.53 -0.59 0.00 1.06 0.00 0.00 176.91 177.97 1r2u h ARG 46 N 0.50 0.44 -0.12 1.72 3.08 -1.52 0.87 114.38 119.35 1r2u h ARG 46 Ca 0.11 -0.29 -0.23 0.00 0.07 0.00 0.00 59.98 59.64 1r2u h ARG 46 Cb 0.30 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1r2u h ARG 46 CO 0.01 0.90 -0.83 0.52 -1.07 0.00 0.00 179.97 179.49 1r2u h MET 47 N 0.33 0.75 -0.65 0.04 2.86 -1.19 -3.25 114.93 113.81 1r2u h MET 47 Ca -0.00 -0.65 -0.04 0.00 -2.06 0.00 0.00 59.70 56.95 1r2u h MET 47 Cb 1.12 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.90 1r2u h MET 47 CO 0.10 1.25 0.24 -0.07 1.06 0.00 0.00 176.91 179.50 1r2u h LEU 48 N 0.49 0.92 0.00 1.22 3.38 -0.85 -3.47 115.31 117.00 1r2u h LEU 48 Ca -0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1r2u h LEU 48 Cb 1.46 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1r2u h LEU 48 CO 0.17 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1r2u n GLY 49 N -0.80 0.27 3.32 0.83 0.00 -0.88 -5.10 105.19 102.83 1r2u n GLY 49 Ca 0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 0.88 -0.48 1.61 -0.21 0.25 -5.01 119.66 116.69 1r2u s GLN 50 Ca 0.00 -0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.16 1r2u s GLN 50 Cb 0.00 0.40 0.20 0.00 1.00 0.00 0.00 33.01 34.60 1r2u s GLN 50 CO 0.00 -0.29 0.45 -1.71 -2.12 0.00 0.00 175.29 171.62 1r2u n ASN 51 N 0.69 0.71 -2.17 5.90 2.85 -1.26 -3.47 115.26 118.51 1r2u n ASN 51 Ca -0.19 -2.71 0.00 0.00 -0.11 0.00 0.00 54.58 51.57 1r2u n ASN 51 Cb 0.59 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.99 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 2.12 0.36 -3.70 1.20 -0.04 -1.26 -5.11 135.00 128.56 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 0.46 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.57 3.16 0.28 0.52 -4.23 -1.26 -4.98 115.64 108.55 1r2u s THR 53 Ca 0.00 -1.36 0.19 0.00 -1.18 0.00 0.00 61.69 59.34 1r2u s THR 53 Cb 0.00 -3.10 0.16 0.00 1.34 0.00 0.00 72.50 70.90 1r2u s THR 53 CO 0.00 -0.10 1.83 1.55 -0.54 0.00 0.00 174.62 177.36 1r2u h PRO 54 N 1.16 0.00 0.11 3.99 0.13 -1.99 -1.88 132.00 133.51 1r2u h PRO 54 Ca -0.43 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 1r2u h PRO 54 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1r2u h PRO 54 CO 0.58 0.32 -1.44 0.93 -0.23 0.00 0.00 178.00 178.16 1r2u h GLU 55 N 0.00 0.23 0.39 0.86 5.08 -1.99 -3.00 114.58 116.15 1r2u h GLU 55 Ca -0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1r2u h GLU 55 Cb 0.71 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1r2u h GLU 55 CO 0.04 1.11 -0.19 0.93 -1.00 0.00 0.00 179.01 179.90 1r2u h GLU 56 N 0.06 -0.51 -0.34 2.33 4.39 -1.92 -2.26 114.58 116.34 1r2u h GLU 56 Ca -0.21 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1r2u h GLU 56 Cb 1.99 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.74 1r2u h GLU 56 CO 0.17 -0.19 0.22 1.37 -1.16 0.00 0.00 179.01 179.41 1r2u h LEU 57 N -0.87 0.39 0.50 1.33 8.10 -1.51 -2.72 115.31 120.53 1r2u h LEU 57 Ca -0.05 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1r2u h LEU 57 Cb 0.55 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 1r2u h LEU 57 CO 0.09 0.29 -0.24 -0.61 -4.11 0.00 0.00 178.44 173.86 1r2u h GLN 58 N 0.46 -0.64 -0.28 0.17 5.75 -1.47 -1.93 115.11 117.17 1r2u h GLN 58 Ca 0.12 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.75 1r2u h GLN 58 Cb -0.05 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1r2u h GLN 58 CO -0.03 -0.36 0.22 1.05 -2.65 0.00 0.00 178.83 177.06 1r2u h GLU 59 N -0.83 0.00 -0.15 1.69 4.11 -1.25 -1.42 114.58 116.73 1r2u h GLU 59 Ca -0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1r2u h GLU 59 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1r2u h GLU 59 CO 0.11 0.00 -0.25 0.52 0.07 0.00 0.00 179.01 179.46 1r2u h MET 60 N 0.00 0.43 0.04 1.06 2.86 -1.26 -2.59 114.93 115.47 1r2u h MET 60 Ca 0.13 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1r2u h MET 60 Cb 0.57 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1r2u h MET 60 CO -0.00 0.86 -0.04 0.82 1.06 0.00 0.00 176.91 179.61 1r2u h ILE 61 N 0.05 0.00 -1.02 -1.22 2.04 -0.46 -0.17 117.51 116.73 1r2u h ILE 61 Ca 0.01 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.13 1r2u h ILE 61 Cb 0.83 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1r2u h ILE 61 CO 0.06 0.00 0.67 -0.78 0.00 0.00 0.00 178.15 178.09 1r2u h ASP 62 N -0.08 0.39 0.03 1.72 1.82 -1.63 0.19 116.42 118.85 1r2u h ASP 62 Ca -0.00 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1r2u h ASP 62 Cb 0.07 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.08 1r2u h ASP 62 CO -0.01 0.10 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.38 1r2u h GLU 63 N 0.36 -0.03 0.00 0.28 4.39 -1.07 -3.06 114.58 115.43 1r2u h GLU 63 Ca 0.56 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.20 1r2u h GLU 63 Cb 1.49 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1r2u h GLU 63 CO -0.23 0.18 -0.27 -0.39 -1.16 0.00 0.00 179.01 177.14 1r2u h VAL 64 N -0.24 0.56 -0.65 3.13 -1.51 0.30 -3.41 116.25 114.43 1r2u h VAL 64 Ca -0.00 -1.37 -0.28 0.00 -1.23 0.00 0.00 66.70 63.82 1r2u h VAL 64 Cb 0.23 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.29 1r2u h VAL 64 CO 0.01 0.26 0.73 -0.62 -1.23 0.00 0.00 177.57 176.71 1r2u s ASP 65 N -6.24 5.02 0.18 4.19 -1.08 0.54 -4.61 116.67 114.66 1r2u s ASP 65 Ca 0.02 -0.78 -0.12 0.00 -0.52 0.00 0.00 52.55 51.15 1r2u s ASP 65 Cb 0.09 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 39.07 1r2u s ASP 65 CO 0.66 -2.89 1.75 -0.33 0.52 0.00 0.00 175.17 174.88 1r2u h GLU 66 N 11.15 0.90 0.14 4.34 5.08 -1.84 -3.18 114.58 131.18 1r2u h GLU 66 Ca 0.11 -0.15 -0.31 0.00 -1.00 0.00 0.00 59.36 58.01 1r2u h GLU 66 Cb 0.99 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1r2u h GLU 66 CO 1.20 0.75 -1.53 0.38 -1.00 0.00 0.00 179.01 178.80 1r2u h ASP 67 N 0.85 0.48 -3.60 1.42 3.04 -1.96 -3.49 116.42 113.16 1r2u h ASP 67 Ca 0.21 -0.63 -0.14 0.00 -3.24 0.00 0.00 57.03 53.23 1r2u h ASP 67 Cb 0.16 -0.16 0.07 0.00 -1.04 0.00 0.00 39.33 38.37 1r2u h ASP 67 CO -0.02 1.52 -0.33 0.61 -2.04 0.00 0.00 179.24 178.97 1r2u n GLY 68 N 1.69 0.09 0.10 7.15 0.00 -1.20 -5.00 105.19 108.02 1r2u n GLY 68 Ca -0.17 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.94 1.85 0.00 1.61 3.41 -1.26 -5.03 113.62 112.27 1r2u n SER 69 Ca -0.12 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1r2u n SER 69 Cb 0.57 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.08 3.81 5.00 0.00 -1.26 -5.14 105.19 110.13 1r2u n GLY 70 Ca -0.29 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 4.72 -0.30 2.61 -4.23 -1.26 -3.22 115.64 113.95 1r2u s THR 71 Ca 0.00 -0.71 -0.13 0.00 -1.18 0.00 0.00 61.69 59.67 1r2u s THR 71 Cb 0.00 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1r2u s THR 71 CO 0.00 0.11 0.28 -0.69 -0.54 0.00 0.00 174.62 173.78 1r2u s VAL 72 N -1.44 5.24 0.64 2.29 1.01 0.11 -4.90 120.40 123.34 1r2u s VAL 72 Ca 0.31 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1r2u s VAL 72 Cb -0.12 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1r2u s VAL 72 CO 0.23 0.10 0.95 -1.81 0.00 0.00 0.00 175.10 174.57 1r2u s ASP 73 N 1.72 5.26 0.43 3.32 1.01 -1.26 -2.77 116.67 124.38 1r2u s ASP 73 Ca 0.10 0.60 0.10 0.00 0.71 0.00 0.00 52.55 54.06 1r2u s ASP 73 Cb -0.16 -1.44 0.95 0.00 1.01 0.00 0.00 42.92 43.27 1r2u s ASP 73 CO 0.11 -1.30 2.06 0.15 0.21 0.00 0.00 175.17 176.40 1r2u h PHE 74 N -0.36 0.34 -0.66 4.23 3.57 -1.97 0.39 116.94 122.48 1r2u h PHE 74 Ca -0.45 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1r2u h PHE 74 Cb 1.28 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1r2u h PHE 74 CO 0.41 0.25 0.26 -0.44 -2.23 0.00 0.00 178.31 176.56 1r2u h ASP 75 N 0.36 0.89 1.63 0.41 5.19 -1.99 0.20 116.42 123.11 1r2u h ASP 75 Ca 0.09 -0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 1r2u h ASP 75 Cb 0.03 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 1r2u h ASP 75 CO -0.01 0.80 -0.37 -0.33 -3.12 0.00 0.00 179.24 176.20 1r2u h GLU 76 N 0.95 0.00 0.02 3.56 5.08 -1.42 -3.02 114.58 119.74 1r2u h GLU 76 Ca 0.22 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.33 1r2u h GLU 76 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1r2u h GLU 76 CO -0.02 0.22 -1.04 0.35 -1.00 0.00 0.00 179.01 177.52 1r2u h PHE 77 N 0.00 0.81 -0.05 4.33 3.57 0.72 -3.28 116.94 123.04 1r2u h PHE 77 Ca -0.01 -0.46 -0.24 0.00 3.53 0.00 0.00 57.97 60.79 1r2u h PHE 77 Cb 1.19 -0.08 0.02 0.00 2.79 0.00 0.00 35.95 39.86 1r2u h PHE 77 CO 0.00 1.29 -0.92 -0.07 -2.23 0.00 0.00 178.31 176.38 1r2u h LEU 78 N 0.28 0.90 -2.35 0.59 3.38 -0.71 -3.22 115.31 114.18 1r2u h LEU 78 Ca -0.11 -0.70 0.02 0.00 0.09 0.00 0.00 57.88 57.17 1r2u h LEU 78 Cb 1.69 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1r2u h LEU 78 CO 0.19 1.48 0.08 -0.37 0.09 0.00 0.00 178.44 179.90 1r2u h VAL 79 N 0.41 0.53 -1.05 1.22 -1.51 -1.63 -2.38 116.25 111.83 1r2u h VAL 79 Ca -0.10 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.67 1r2u h VAL 79 Cb 1.57 0.94 -0.13 0.00 -2.13 0.00 0.00 31.29 31.54 1r2u h VAL 79 CO 0.18 0.00 0.64 0.24 -1.23 0.00 0.00 177.57 177.40 1r2u h MET 80 N 0.00 0.37 0.41 5.19 2.86 -1.61 0.44 114.93 122.59 1r2u h MET 80 Ca 0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1r2u h MET 80 Cb 0.19 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 80 CO -0.00 0.24 -0.20 0.52 1.06 0.00 0.00 176.91 178.54 1r2u h MET 81 N 0.38 -0.53 -0.25 1.72 2.07 -1.65 -3.21 114.93 113.46 1r2u h MET 81 Ca 0.69 0.04 0.03 0.00 -2.07 0.00 0.00 59.70 58.38 1r2u h MET 81 Cb 1.63 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 31.46 1r2u h MET 81 CO -0.47 -0.24 0.17 -0.39 1.07 0.00 0.00 176.91 177.05 1r2u h VAL 82 N -1.02 1.00 0.00 -2.22 -1.51 -1.44 -0.97 116.25 110.10 1r2u h VAL 82 Ca -0.06 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1r2u h VAL 82 Cb 0.54 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1r2u h VAL 82 CO 0.09 0.04 -0.01 0.03 -1.23 0.00 0.00 177.57 176.49 1r2u h ARG 83 N 0.23 0.00 0.00 5.19 2.47 -0.18 -0.02 114.38 122.08 1r2u h ARG 83 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1r2u h ARG 83 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1r2u h ARG 83 CO -0.02 0.01 0.00 0.00 0.56 0.00 0.00 179.97 180.52 1r2u n MET 85 N -3.01 3.87 -0.21 0.00 2.81 -0.02 -4.78 117.12 115.78 1r2u n MET 85 Ca -0.00 -4.43 -0.02 0.00 -1.81 0.00 0.00 57.70 51.44 1r2u n MET 85 Cb 0.23 -2.32 0.19 0.00 -0.71 0.00 0.00 33.22 30.62 1r2u n MET 85 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1r2u h LYS 86 N 3.30 0.99 -4.71 0.03 1.57 -1.69 -3.45 116.57 112.61 1r2u h LYS 86 Ca 0.39 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1r2u h LYS 86 Cb 0.41 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1r2u h LYS 86 CO 1.08 0.75 -0.80 -0.25 -0.57 0.00 0.00 179.45 179.65 1r2u n ASP 87 N -4.35 -6.82 -4.42 0.86 8.00 -1.26 -4.92 116.55 103.65 1r2u n ASP 87 Ca 0.07 1.16 -0.45 0.00 0.71 0.00 0.00 54.79 56.28 1r2u n ASP 87 Cb 0.12 -4.49 -0.02 0.00 -0.02 0.00 0.00 41.12 36.70 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r2u s ASP 88 N -1.31 6.68 0.00 -2.24 2.15 -1.26 -5.14 116.67 115.55 1r2u s ASP 88 Ca -0.00 -2.24 0.18 0.00 0.43 0.00 0.00 52.55 50.92 1r2u s ASP 88 Cb 0.00 -2.35 0.14 0.00 -0.30 0.00 0.00 42.92 40.41 1r2u s ASP 88 CO 0.63 -0.92 1.07 -0.24 -0.17 0.00 0.00 175.17 175.54