#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 6.94 0.00 3.17 0.02 -1.26 -4.87 114.94 118.94 1r2u s ASN 2 Ca 0.00 1.41 0.00 0.00 -1.02 0.00 0.00 52.86 53.25 1r2u s ASN 2 Cb 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 41.25 38.85 1r2u s ASN 2 CO 0.00 -0.12 0.00 -0.67 0.02 0.00 0.00 177.10 176.33 1r2u n ASP 3 N 0.11 0.00 0.24 -1.22 2.03 -1.26 -4.93 116.55 111.52 1r2u n ASP 3 Ca 0.01 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.40 1r2u n ASP 3 Cb 0.52 0.03 0.59 0.00 -0.72 0.00 0.00 41.12 41.55 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1r2u h ILE 4 N 0.00 1.03 -0.08 5.18 -2.65 -1.91 -0.32 117.51 118.76 1r2u h ILE 4 Ca 0.00 -0.32 -0.20 0.00 1.03 0.00 0.00 64.86 65.38 1r2u h ILE 4 Cb 0.00 1.17 -0.00 0.00 -2.05 0.00 0.00 36.82 35.94 1r2u h ILE 4 CO 0.00 0.09 -0.77 1.88 0.03 0.00 0.00 178.15 179.38 1r2u h TYR 5 N 0.00 0.63 -0.25 0.16 0.05 -1.92 0.09 116.97 115.73 1r2u h TYR 5 Ca -0.00 -0.29 -0.20 0.00 0.05 0.00 0.00 58.73 58.29 1r2u h TYR 5 Cb 0.17 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1r2u h TYR 5 CO 0.00 1.06 -0.62 0.87 -1.05 0.00 0.00 178.16 178.42 1r2u h LYS 6 N 0.30 0.86 -0.01 4.88 1.79 -1.71 -0.04 116.57 122.64 1r2u h LYS 6 Ca -0.04 -0.59 -0.13 0.00 -2.18 0.00 0.00 60.65 57.71 1r2u h LYS 6 Cb 1.36 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 1r2u h LYS 6 CO 0.14 1.22 -0.61 0.00 -1.08 0.00 0.00 179.45 179.12 1r2u h ALA 7 N 0.64 0.98 0.04 3.86 0.00 -1.09 -3.12 119.26 120.59 1r2u h ALA 7 Ca -0.01 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 1r2u h ALA 7 Cb 1.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1r2u h ALA 7 CO 0.14 0.76 -1.02 0.00 0.00 0.00 0.00 179.25 179.12 1r2u h ALA 8 N 1.37 0.35 -0.18 0.00 0.00 -0.85 -3.24 119.26 116.70 1r2u h ALA 8 Ca -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 54.91 54.11 1r2u h ALA 8 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1r2u h ALA 8 CO 0.08 1.00 0.13 -0.24 0.00 0.00 0.00 179.25 180.21 1r2u h VAL 9 N 0.08 0.99 0.00 0.00 3.04 -0.93 0.08 116.25 119.51 1r2u h VAL 9 Ca -0.07 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1r2u h VAL 9 Cb 1.71 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1r2u h VAL 9 CO 0.16 0.03 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.08 1r2u h GLU 10 N 0.15 0.00 0.00 4.17 5.08 -1.61 -3.28 114.58 119.10 1r2u h GLU 10 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1r2u h GLU 10 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1r2u h GLU 10 CO -0.01 0.00 -1.35 1.04 -1.00 0.00 0.00 179.01 177.69 1r2u n GLN 11 N -2.22 0.62 -1.37 2.33 1.13 -0.13 -4.91 117.38 112.83 1r2u n GLN 11 Ca 0.04 0.12 -0.53 0.00 -1.94 0.00 0.00 57.00 54.70 1r2u n GLN 11 Cb 0.44 -1.77 -0.10 0.00 0.11 0.00 0.00 30.24 28.92 1r2u n GLN 11 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1r2u n LEU 12 N -2.72 1.23 -4.48 1.08 4.77 -0.34 -4.91 117.00 111.62 1r2u n LEU 12 Ca -0.06 0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 56.14 1r2u n LEU 12 Cb 0.70 -1.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1r2u n LEU 12 CO 0.42 -0.79 -0.36 0.42 -1.33 0.00 0.00 177.39 175.75 1r2u s THR 13 N 7.20 1.83 0.45 -5.08 -4.23 -1.26 -5.03 115.64 109.52 1r2u s THR 13 Ca 1.18 -2.13 0.12 0.00 -1.18 0.00 0.00 61.69 59.67 1r2u s THR 13 Cb -1.18 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 70.31 1r2u s THR 13 CO 0.56 -0.22 2.06 0.44 -0.54 0.00 0.00 174.62 176.92 1r2u h ASP 14 N 2.14 0.20 -0.18 3.99 3.32 -1.98 -0.71 116.42 123.19 1r2u h ASP 14 Ca -0.41 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1r2u h ASP 14 Cb 1.24 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1r2u h ASP 14 CO 0.70 0.20 0.02 -0.33 -1.72 0.00 0.00 179.24 178.11 1r2u h GLU 15 N 0.23 0.31 -0.36 3.56 5.08 -1.97 0.68 114.58 122.11 1r2u h GLU 15 Ca 0.06 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1r2u h GLU 15 Cb 0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1r2u h GLU 15 CO -0.00 0.50 -0.11 -0.56 -1.00 0.00 0.00 179.01 177.84 1r2u h GLN 16 N 0.09 0.72 -0.32 2.33 3.07 -1.82 -1.87 115.11 117.30 1r2u h GLN 16 Ca 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 58.65 58.49 1r2u h GLN 16 Cb 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 1r2u h GLN 16 CO 0.01 0.88 0.11 0.87 0.09 0.00 0.00 178.83 180.78 1r2u h LYS 17 N 0.51 0.45 -0.50 0.06 6.56 -1.10 -1.74 116.57 120.82 1r2u h LYS 17 Ca 0.09 -0.06 -0.09 0.00 -1.06 0.00 0.00 60.65 59.54 1r2u h LYS 17 Cb 0.62 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.18 1r2u h LYS 17 CO 0.04 0.40 -0.02 -0.97 -2.06 0.00 0.00 179.45 176.84 1r2u h ASN 18 N 0.45 0.88 0.42 0.86 -1.24 -0.54 0.28 115.58 116.69 1r2u h ASN 18 Ca 0.11 -0.32 -0.02 0.00 0.71 0.00 0.00 56.30 56.79 1r2u h ASN 18 Cb 0.13 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.94 1r2u h ASN 18 CO -0.01 0.99 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.58 1r2u h GLU 19 N 0.76 -0.55 -0.53 6.67 4.39 -0.52 0.11 114.58 124.91 1r2u h GLU 19 Ca 0.14 0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.78 1r2u h GLU 19 Cb 0.55 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1r2u h GLU 19 CO 0.03 -0.37 -0.06 0.74 -1.16 0.00 0.00 179.01 178.19 1r2u h PHE 20 N -0.57 1.03 -0.52 4.33 0.04 -1.34 -1.30 116.94 118.61 1r2u h PHE 20 Ca -0.06 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 1r2u h PHE 20 Cb 0.44 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1r2u h PHE 20 CO -0.05 0.95 0.23 -0.22 -0.60 0.00 0.00 178.31 178.62 1r2u h LYS 21 N 0.86 0.76 -0.34 1.51 1.63 -0.28 0.18 116.57 120.89 1r2u h LYS 21 Ca 0.15 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 1r2u h LYS 21 Cb 0.58 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1r2u h LYS 21 CO 0.04 0.65 -0.02 0.00 -3.45 0.00 0.00 179.45 176.66 1r2u h ALA 22 N 1.07 0.46 0.00 5.00 0.00 -0.67 0.52 119.26 125.65 1r2u h ALA 22 Ca 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1r2u h ALA 22 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r2u h ALA 22 CO -0.02 0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 1r2u h ALA 23 N 0.84 1.18 0.00 0.00 0.00 -1.01 -1.97 119.26 118.30 1r2u h ALA 23 Ca 0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1r2u h ALA 23 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1r2u h ALA 23 CO 0.02 0.11 -0.58 0.35 0.00 0.00 0.00 179.25 179.15 1r2u h PHE 24 N 0.00 0.00 -0.97 0.00 3.04 -0.16 -3.38 116.94 115.48 1r2u h PHE 24 Ca -0.00 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.08 1r2u h PHE 24 Cb 0.34 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.77 1r2u h PHE 24 CO 0.00 0.63 0.61 0.22 -2.02 0.00 0.00 178.31 177.75 1r2u h ASP 25 N -1.00 0.83 -0.82 0.41 1.82 0.07 -0.47 116.42 117.27 1r2u h ASP 25 Ca -0.11 0.05 0.10 0.00 -0.39 0.00 0.00 57.03 56.68 1r2u h ASP 25 Cb 0.75 -0.12 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 1r2u h ASP 25 CO -0.07 0.42 0.53 0.16 -1.61 0.00 0.00 179.24 178.68 1r2u h ILE 26 N 0.88 0.93 0.00 2.25 3.07 -1.55 -1.09 117.51 122.02 1r2u h ILE 26 Ca 0.49 -0.25 -0.20 0.00 1.55 0.00 0.00 64.86 66.45 1r2u h ILE 26 Cb 0.59 0.13 -0.03 0.00 -0.27 0.00 0.00 36.82 37.24 1r2u h ILE 26 CO -0.26 0.14 -1.20 -0.26 -1.05 0.00 0.00 178.15 175.51 1r2u h PHE 27 N 0.74 0.00 -0.63 0.16 -1.00 -1.41 -3.33 116.94 111.47 1r2u h PHE 27 Ca 0.38 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.76 1r2u h PHE 27 Cb 0.48 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 39.85 1r2u h PHE 27 CO -0.00 0.79 0.52 -0.89 -1.61 0.00 0.00 178.31 177.12 1r2u n ILE 28 N -3.12 2.88 0.14 -0.55 2.08 -0.30 -4.35 119.36 116.13 1r2u n ILE 28 Ca -0.07 -1.84 0.01 0.00 0.56 0.00 0.00 62.75 61.42 1r2u n ILE 28 Cb 0.90 -1.14 0.09 0.00 -0.75 0.00 0.00 39.64 38.75 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 1.39 0.00 -0.10 0.38 3.07 -1.57 -3.36 115.11 114.92 1r2u h GLN 29 Ca 0.39 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.94 1r2u h GLN 29 Cb 1.19 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 28.40 1r2u h GLN 29 CO 0.94 0.59 -0.93 -0.25 0.09 0.00 0.00 178.83 179.26 1r2u n ASP 30 N -3.38 0.76 -4.80 0.06 8.00 -1.26 -5.12 116.55 110.81 1r2u n ASP 30 Ca 0.01 -2.01 -0.33 0.00 0.71 0.00 0.00 54.79 53.16 1r2u n ASP 30 Cb 0.71 -0.22 0.02 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.85 2.68 -0.07 2.24 0.00 -1.26 -4.99 121.76 119.52 1r2u s ALA 31 Ca 0.27 0.43 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 1r2u s ALA 31 Cb 0.33 -3.25 -0.30 0.00 0.00 0.00 0.00 23.12 19.90 1r2u s ALA 31 CO -0.12 -0.91 0.72 0.93 0.00 0.00 0.00 175.76 176.39 1r2u h GLU 32 N 0.37 0.30 0.02 0.00 5.08 -1.97 -3.40 114.58 114.98 1r2u h GLU 32 Ca -0.47 -0.51 -0.39 0.00 -1.00 0.00 0.00 59.36 56.99 1r2u h GLU 32 Cb 1.23 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1r2u h GLU 32 CO 0.57 1.25 -2.40 -0.25 -1.00 0.00 0.00 179.01 177.17 1r2u n ASP 33 N -3.95 2.00 0.00 1.42 9.92 -1.26 -5.03 116.55 119.64 1r2u n ASP 33 Ca -0.20 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.00 1r2u n ASP 33 Cb 0.90 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 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 2.16 0.99 3.74 0.44 0.00 -1.26 -5.16 105.19 106.10 1r2u n GLY 34 Ca -0.44 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 2.05 -0.04 0.00 -5.25 -1.00 -4.84 121.20 108.65 1r2u s ILE 36 Ca 0.17 -1.13 -0.18 0.00 -0.99 0.00 0.00 60.65 58.52 1r2u s ILE 36 Cb -0.04 -2.19 -0.05 0.00 2.95 0.00 0.00 42.46 43.13 1r2u s ILE 36 CO 0.10 0.00 0.49 -0.55 -1.79 0.00 0.00 174.94 173.19 1r2u s SER 37 N -4.55 6.82 0.37 4.36 0.15 -1.26 -0.27 113.70 119.32 1r2u s SER 37 Ca 0.54 0.98 0.05 0.00 0.70 0.00 0.00 55.95 58.22 1r2u s SER 37 Cb -0.05 -2.30 0.73 0.00 -1.71 0.00 0.00 66.02 62.69 1r2u s SER 37 CO 0.34 0.16 1.99 0.71 1.20 0.00 0.00 173.24 177.63 1r2u h THR 38 N 4.15 1.07 0.00 6.45 1.35 -1.73 0.33 112.91 124.53 1r2u h THR 38 Ca -0.46 -0.26 -0.08 0.00 -0.55 0.00 0.00 66.41 65.06 1r2u h THR 38 Cb 1.20 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1r2u h THR 38 CO 0.69 0.14 -0.36 0.11 -0.25 0.00 0.00 175.52 175.84 1r2u h LYS 39 N 0.75 0.00 -0.25 4.72 1.79 -1.93 -2.73 116.57 118.92 1r2u h LYS 39 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1r2u h LYS 39 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1r2u h LYS 39 CO -0.08 0.36 0.00 0.39 -1.08 0.00 0.00 179.45 179.04 1r2u n GLU 40 N -3.50 1.82 -2.39 3.15 1.02 0.04 -4.72 120.64 116.05 1r2u n GLU 40 Ca -0.00 -1.24 -0.37 0.00 -0.02 0.00 0.00 57.16 55.52 1r2u n GLU 40 Cb 0.51 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 1r2u n GLU 40 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1r2u s LEU 41 N -1.36 3.54 0.00 -4.62 2.96 -0.80 -3.44 118.68 114.97 1r2u s LEU 41 Ca 0.30 -2.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 1r2u s LEU 41 Cb 0.16 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1r2u s LEU 41 CO 0.23 -1.89 0.00 0.61 -1.32 0.00 0.00 176.35 173.99 1r2u n GLY 42 N 5.57 -0.51 0.22 7.98 0.00 -1.26 -4.79 105.19 112.41 1r2u n GLY 42 Ca 0.47 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.65 1r2u n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r2u h LYS 43 N 0.00 0.00 -0.24 1.61 2.10 -1.95 -3.01 116.57 115.08 1r2u h LYS 43 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1r2u h LYS 43 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1r2u h LYS 43 CO 0.00 0.18 -0.55 -0.39 -2.00 0.00 0.00 179.45 176.69 1r2u h VAL 44 N 0.00 1.30 0.00 0.07 -1.51 -1.92 -3.01 116.25 111.18 1r2u h VAL 44 Ca -0.00 -1.77 -0.08 0.00 -1.23 0.00 0.00 66.70 63.62 1r2u h VAL 44 Cb 0.81 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1r2u h VAL 44 CO 0.02 0.56 -0.39 0.24 -1.23 0.00 0.00 177.57 176.78 1r2u h MET 45 N 0.55 0.00 -0.70 5.19 2.86 -1.86 -3.08 114.93 117.89 1r2u h MET 45 Ca 0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1r2u h MET 45 Cb 1.13 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 1r2u h MET 45 CO 0.11 0.39 0.41 0.00 1.06 0.00 0.00 176.91 178.89 1r2u h ARG 46 N 0.00 0.75 -0.10 1.72 3.08 -1.40 -1.40 114.38 117.04 1r2u h ARG 46 Ca -0.00 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1r2u h ARG 46 Cb 0.87 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1r2u h ARG 46 CO 0.05 0.50 -0.47 0.52 -1.07 0.00 0.00 179.97 179.50 1r2u h MET 47 N 0.77 0.24 -0.34 0.04 2.86 -1.59 -3.14 114.93 113.77 1r2u h MET 47 Ca 0.30 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1r2u h MET 47 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 47 CO -0.15 0.66 0.22 1.25 1.06 0.00 0.00 176.91 179.95 1r2u h LEU 48 N 0.19 0.40 0.00 1.22 5.85 -1.24 -3.47 115.31 118.26 1r2u h LEU 48 Ca 0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1r2u h LEU 48 Cb 0.90 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1r2u h LEU 48 CO 0.07 0.31 0.00 0.61 -0.34 0.00 0.00 178.44 179.09 1r2u n GLY 49 N -1.14 1.69 3.92 3.75 0.00 -0.81 -5.13 105.19 107.47 1r2u n GLY 49 Ca -0.01 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1r2u n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r2u s GLN 50 N 0.00 2.07 -0.44 1.61 -2.07 -1.15 -4.97 119.66 114.72 1r2u s GLN 50 Ca 0.00 -0.16 0.05 0.00 -1.82 0.00 0.00 55.36 53.43 1r2u s GLN 50 Cb 0.00 -2.10 0.17 0.00 -1.09 0.00 0.00 33.01 30.00 1r2u s GLN 50 CO 0.00 -1.38 0.52 1.21 -1.32 0.00 0.00 175.29 174.31 1r2u s ASN 51 N -4.55 0.02 0.66 12.60 2.47 -1.26 -3.22 114.94 121.67 1r2u s ASN 51 Ca 0.61 -1.99 0.00 0.00 0.42 0.00 0.00 52.86 51.91 1r2u s ASN 51 Cb -0.11 0.90 0.00 0.00 -1.45 0.00 0.00 41.25 40.60 1r2u s ASN 51 CO 0.46 -0.15 0.00 -0.81 -3.72 0.00 0.00 177.10 172.88 1r2u n PRO 52 N 3.39 0.41 -3.87 0.43 -0.04 -1.26 -5.10 135.00 128.95 1r2u n PRO 52 Ca 0.19 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 1r2u n PRO 52 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.42 2.13 0.23 0.52 -4.23 -1.26 -4.96 115.64 107.65 1r2u s THR 53 Ca 0.00 -1.51 0.13 0.00 -1.18 0.00 0.00 61.69 59.12 1r2u s THR 53 Cb 0.00 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1r2u s THR 53 CO 0.00 0.00 1.63 1.55 -0.54 0.00 0.00 174.62 177.26 1r2u h PRO 54 N 1.03 0.00 0.02 3.99 0.13 -1.99 -0.84 132.00 134.35 1r2u h PRO 54 Ca -0.40 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.48 1r2u h PRO 54 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1r2u h PRO 54 CO 0.61 0.56 -1.25 1.05 -0.23 0.00 0.00 178.00 178.74 1r2u h GLU 55 N 0.00 0.05 0.03 0.86 4.11 -2.00 -3.12 114.58 114.51 1r2u h GLU 55 Ca -0.01 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1r2u h GLU 55 Cb 1.07 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1r2u h GLU 55 CO 0.07 0.90 -0.02 1.49 0.07 0.00 0.00 179.01 181.53 1r2u h GLU 56 N 0.01 -0.04 -0.10 1.06 4.57 -1.94 -3.26 114.58 114.88 1r2u h GLU 56 Ca -0.11 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1r2u h GLU 56 Cb 1.87 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.47 1r2u h GLU 56 CO 0.13 0.63 0.08 1.37 -1.18 0.00 0.00 179.01 180.04 1r2u h LEU 57 N -0.80 0.00 -0.78 1.64 8.10 -1.30 -2.18 115.31 119.98 1r2u h LEU 57 Ca -0.00 0.00 0.12 0.00 0.11 0.00 0.00 57.88 58.10 1r2u h LEU 57 Cb 0.69 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.83 1r2u h LEU 57 CO 0.01 0.00 0.40 -0.61 -4.11 0.00 0.00 178.44 174.12 1r2u h GLN 58 N 0.00 0.61 -0.43 0.17 5.75 -1.58 0.40 115.11 120.03 1r2u h GLN 58 Ca 0.05 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 1r2u h GLN 58 Cb 0.21 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1r2u h GLN 58 CO -0.00 0.40 -0.13 0.93 -2.65 0.00 0.00 178.83 177.38 1r2u h GLU 59 N 0.63 0.79 -0.50 1.69 5.08 -1.51 -2.92 114.58 117.83 1r2u h GLU 59 Ca 0.40 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1r2u h GLU 59 Cb 0.49 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1r2u h GLU 59 CO -0.31 0.89 0.20 0.52 -1.00 0.00 0.00 179.01 179.30 1r2u h MET 60 N 0.71 0.76 0.02 2.33 2.86 -1.10 -1.74 114.93 118.77 1r2u h MET 60 Ca 0.12 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1r2u h MET 60 Cb 0.63 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1r2u h MET 60 CO 0.04 0.68 -0.02 0.82 1.06 0.00 0.00 176.91 179.49 1r2u h ILE 61 N 0.67 0.00 -1.02 -1.22 2.04 -0.84 0.17 117.51 117.32 1r2u h ILE 61 Ca 0.17 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.28 1r2u h ILE 61 Cb 0.21 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.20 1r2u h ILE 61 CO -0.01 0.00 0.66 -0.78 0.00 0.00 0.00 178.15 178.02 1r2u h ASP 62 N -0.05 0.42 0.35 1.72 3.58 -1.58 0.31 116.42 121.18 1r2u h ASP 62 Ca -0.00 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1r2u h ASP 62 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1r2u h ASP 62 CO -0.00 0.10 -0.17 -0.33 -2.88 0.00 0.00 179.24 175.96 1r2u h GLU 63 N 0.39 -0.45 0.00 0.28 5.08 -0.95 -2.98 114.58 115.94 1r2u h GLU 63 Ca 0.57 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1r2u h GLU 63 Cb 1.46 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1r2u h GLU 63 CO -0.26 -0.23 0.00 -0.39 -1.00 0.00 0.00 179.01 177.13 1r2u h VAL 64 N -0.60 0.00 -0.71 3.13 -1.51 0.15 -3.40 116.25 113.31 1r2u h VAL 64 Ca -0.05 -0.65 -0.37 0.00 -1.23 0.00 0.00 66.70 64.40 1r2u h VAL 64 Cb 0.44 1.63 -0.06 0.00 -2.13 0.00 0.00 31.29 31.18 1r2u h VAL 64 CO 0.08 0.00 1.04 -0.62 -1.23 0.00 0.00 177.57 176.84 1r2u s ASP 65 N -5.69 5.41 0.19 4.19 -1.08 0.99 -4.65 116.67 116.03 1r2u s ASP 65 Ca 0.04 -1.19 0.02 0.00 -0.52 0.00 0.00 52.55 50.90 1r2u s ASP 65 Cb 0.08 -2.57 0.08 0.00 -1.46 0.00 0.00 42.92 39.04 1r2u s ASP 65 CO 0.58 -2.56 1.44 -0.33 0.52 0.00 0.00 175.17 174.81 1r2u h GLU 66 N 10.37 0.27 0.07 4.34 5.08 -1.83 -3.34 114.58 129.54 1r2u h GLU 66 Ca 0.17 -0.24 -0.26 0.00 -1.00 0.00 0.00 59.36 58.03 1r2u h GLU 66 Cb 0.98 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1r2u h GLU 66 CO 1.26 0.91 -1.40 0.38 -1.00 0.00 0.00 179.01 179.17 1r2u h ASP 67 N 0.17 0.23 -2.63 1.42 2.03 -1.97 -3.49 116.42 112.18 1r2u h ASP 67 Ca -0.03 -0.76 -0.06 0.00 -0.73 0.00 0.00 57.03 55.45 1r2u h ASP 67 Cb 1.35 -0.08 0.03 0.00 -0.83 0.00 0.00 39.33 39.80 1r2u h ASP 67 CO 0.12 1.59 -0.13 0.61 -1.03 0.00 0.00 179.24 180.40 1r2u n GLY 68 N 1.68 0.31 0.10 7.15 0.00 -1.25 -5.02 105.19 108.16 1r2u n GLY 68 Ca -0.28 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.37 1.88 0.00 1.61 3.41 -1.26 -5.04 113.62 112.86 1r2u n SER 69 Ca -0.05 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1r2u n SER 69 Cb 0.53 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.44 0.61 3.61 5.00 0.00 -1.26 -5.14 105.19 109.45 1r2u n GLY 70 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 3.50 -0.33 2.61 -4.23 -1.26 -2.12 115.64 113.81 1r2u s THR 71 Ca 0.00 -1.36 -0.14 0.00 -1.18 0.00 0.00 61.69 59.01 1r2u s THR 71 Cb 0.00 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 1r2u s THR 71 CO 0.00 0.01 0.33 -0.69 -0.54 0.00 0.00 174.62 173.73 1r2u s VAL 72 N -1.46 5.20 0.84 2.29 1.01 0.63 -4.79 120.40 124.12 1r2u s VAL 72 Ca 0.24 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1r2u s VAL 72 Cb -0.10 -3.76 0.16 0.00 0.00 0.00 0.00 36.38 32.68 1r2u s VAL 72 CO 0.16 -0.02 1.16 -1.81 0.00 0.00 0.00 175.10 174.59 1r2u s ASP 73 N 1.72 3.74 0.36 3.32 1.01 -1.26 -2.38 116.67 123.18 1r2u s ASP 73 Ca 0.11 -0.00 0.07 0.00 0.71 0.00 0.00 52.55 53.43 1r2u s ASP 73 Cb -0.17 -0.22 0.69 0.00 1.01 0.00 0.00 42.92 44.24 1r2u s ASP 73 CO 0.11 -2.30 1.90 0.15 0.21 0.00 0.00 175.17 175.24 1r2u h PHE 74 N -1.10 0.41 -0.61 4.23 3.57 -1.97 0.15 116.94 121.61 1r2u h PHE 74 Ca -0.41 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 60.96 1r2u h PHE 74 Cb 1.25 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1r2u h PHE 74 CO -0.65 0.45 0.04 -0.44 -2.23 0.00 0.00 178.31 175.48 1r2u h ASP 75 N 0.38 1.01 1.75 0.41 3.32 -1.99 -0.56 116.42 120.74 1r2u h ASP 75 Ca 0.08 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1r2u h ASP 75 Cb 0.34 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1r2u h ASP 75 CO 0.01 1.04 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.99 1r2u h GLU 76 N 0.96 0.00 0.03 3.56 5.08 -1.73 -2.95 114.58 119.53 1r2u h GLU 76 Ca 0.18 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.32 1r2u h GLU 76 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1r2u h GLU 76 CO 0.02 0.13 -0.97 0.35 -1.00 0.00 0.00 179.01 177.54 1r2u h PHE 77 N 0.00 0.33 0.22 4.33 3.57 -0.27 -3.28 116.94 121.85 1r2u h PHE 77 Ca -0.01 -0.20 -0.33 0.00 3.53 0.00 0.00 57.97 60.96 1r2u h PHE 77 Cb 1.11 -0.03 0.03 0.00 2.79 0.00 0.00 35.95 39.85 1r2u h PHE 77 CO 0.00 1.06 -1.51 -0.07 -2.23 0.00 0.00 178.31 175.56 1r2u h LEU 78 N 0.10 0.74 -2.40 0.59 3.38 -1.16 -3.29 115.31 113.27 1r2u h LEU 78 Ca -0.06 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.08 1r2u h LEU 78 Cb 1.64 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1r2u h LEU 78 CO 0.15 1.68 0.08 -0.37 0.09 0.00 0.00 178.44 180.07 1r2u h VAL 79 N 0.13 0.46 -1.25 1.22 -1.51 -1.63 -2.48 116.25 111.20 1r2u h VAL 79 Ca -0.26 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.57 1r2u h VAL 79 Cb 2.13 0.93 -0.08 0.00 -2.13 0.00 0.00 31.29 32.14 1r2u h VAL 79 CO 0.25 0.00 0.85 0.24 -1.23 0.00 0.00 177.57 177.68 1r2u h MET 80 N 0.00 0.14 0.01 5.19 2.86 -1.63 0.28 114.93 121.78 1r2u h MET 80 Ca 0.03 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1r2u h MET 80 Cb 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1r2u h MET 80 CO -0.00 0.10 -0.01 0.52 1.06 0.00 0.00 176.91 178.58 1r2u h MET 81 N 0.15 -0.02 -0.49 1.72 2.86 -1.69 -3.29 114.93 114.16 1r2u h MET 81 Ca 0.67 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.27 1r2u h MET 81 Cb 2.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.88 1r2u h MET 81 CO -0.20 0.75 0.12 -0.39 1.06 0.00 0.00 176.91 178.25 1r2u h VAL 82 N -0.93 1.21 0.00 -2.22 -1.51 -1.37 -2.12 116.25 109.31 1r2u h VAL 82 Ca -0.00 -0.75 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 1r2u h VAL 82 Cb 0.78 0.71 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1r2u h VAL 82 CO 0.00 0.28 -0.03 0.08 -1.23 0.00 0.00 177.57 176.67 1r2u h ARG 83 N 0.72 0.00 0.00 5.19 0.11 -0.64 -1.08 114.38 118.68 1r2u h ARG 83 Ca 0.16 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.03 1r2u h ARG 83 Cb 0.27 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.31 1r2u h ARG 83 CO -0.00 0.03 -1.11 0.00 0.10 0.00 0.00 179.97 178.99 1r2u h MET 85 N 0.00 0.00 -6.16 0.00 2.86 -0.86 -3.43 114.93 107.34 1r2u h MET 85 Ca -0.08 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.84 1r2u h MET 85 Cb 1.76 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.43 1r2u h MET 85 CO 0.11 0.02 0.95 1.63 1.06 0.00 0.00 176.91 180.67 1r2u n LYS 86 N -4.11 1.30 -3.27 1.72 5.02 -1.18 -4.92 118.16 112.72 1r2u n LYS 86 Ca -0.03 0.48 -0.06 0.00 -2.02 0.00 0.00 58.31 56.67 1r2u n LYS 86 Cb 0.11 -2.19 -0.04 0.00 -0.02 0.00 0.00 35.03 32.88 1r2u n LYS 86 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1r2u s ASP 87 N 3.72 -0.21 -0.61 4.39 -1.08 -1.26 -5.09 116.67 116.53 1r2u s ASP 87 Ca 0.98 -0.66 -0.26 0.00 -0.52 0.00 0.00 52.55 52.09 1r2u s ASP 87 Cb -1.01 1.33 -0.05 0.00 -1.46 0.00 0.00 42.92 41.73 1r2u s ASP 87 CO 0.64 -0.28 2.11 -0.62 0.52 0.00 0.00 175.17 177.54 1r2u s ASP 88 N 2.17 4.84 0.00 -0.34 2.15 -1.26 -5.19 116.67 119.04 1r2u s ASP 88 Ca 0.13 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.60 1r2u s ASP 88 Cb -0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1r2u s ASP 88 CO -0.18 -2.72 0.02 -1.54 -0.17 0.00 0.00 175.17 170.58