#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 2.25 -0.07 6.12 -0.87 -1.26 -4.99 114.94 116.11 1r2u s ASN 2 Ca 0.00 -0.35 0.11 0.00 -1.57 0.00 0.00 52.86 51.04 1r2u s ASN 2 Cb 0.00 -0.94 0.16 0.00 -0.02 0.00 0.00 41.25 40.46 1r2u s ASN 2 CO 0.00 -0.07 1.06 -0.67 -2.57 0.00 0.00 177.10 174.85 1r2u n ASP 3 N 4.65 1.82 0.10 -1.22 2.03 -1.26 -4.69 116.55 117.99 1r2u n ASP 3 Ca -0.16 -2.56 -0.03 0.00 0.52 0.00 0.00 54.79 52.56 1r2u n ASP 3 Cb 0.50 -0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.62 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 1.08 1.44 -0.09 5.18 -2.65 -1.95 -1.91 117.51 118.60 1r2u h ILE 4 Ca 0.00 -2.85 -0.19 0.00 1.03 0.00 0.00 64.86 62.85 1r2u h ILE 4 Cb 0.93 2.60 -0.00 0.00 -2.05 0.00 0.00 36.82 38.29 1r2u h ILE 4 CO 0.00 0.78 -0.73 1.88 0.03 0.00 0.00 178.15 180.11 1r2u h TYR 5 N 0.00 0.63 -0.05 0.16 0.05 -1.90 0.72 116.97 116.58 1r2u h TYR 5 Ca -0.01 -0.28 -0.22 0.00 0.05 0.00 0.00 58.73 58.27 1r2u h TYR 5 Cb 1.53 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 39.18 1r2u h TYR 5 CO 0.00 1.05 -0.88 0.87 -1.05 0.00 0.00 178.16 178.15 1r2u h LYS 6 N 0.32 0.54 -0.00 4.88 1.79 -1.86 0.07 116.57 122.31 1r2u h LYS 6 Ca -0.03 -0.52 -0.14 0.00 -2.18 0.00 0.00 60.65 57.78 1r2u h LYS 6 Cb 1.32 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 1r2u h LYS 6 CO 0.13 1.15 -0.68 0.00 -1.08 0.00 0.00 179.45 178.96 1r2u h ALA 7 N 0.69 0.87 0.00 3.86 0.00 -1.32 -3.18 119.26 120.18 1r2u h ALA 7 Ca -0.07 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 54.00 1r2u h ALA 7 Cb 1.50 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1r2u h ALA 7 CO 0.16 0.85 -1.16 0.00 0.00 0.00 0.00 179.25 179.10 1r2u h ALA 8 N 1.31 0.49 0.00 0.00 0.00 -0.80 -3.30 119.26 116.96 1r2u h ALA 8 Ca -0.01 -1.02 -0.00 0.00 0.00 0.00 0.00 54.91 53.88 1r2u h ALA 8 Cb 1.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1r2u h ALA 8 CO 0.09 1.28 -0.01 -0.24 0.00 0.00 0.00 179.25 180.37 1r2u h VAL 9 N 0.00 0.80 0.00 0.00 3.04 -0.95 0.06 116.25 119.20 1r2u h VAL 9 Ca -0.09 -0.04 -0.03 0.00 -1.01 0.00 0.00 66.70 65.53 1r2u h VAL 9 Cb 1.80 1.03 -0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1r2u h VAL 9 CO 0.11 0.01 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.20 1r2u h GLU 10 N 0.00 0.00 0.11 4.17 5.08 -1.63 -3.30 114.58 119.01 1r2u h GLU 10 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1r2u h GLU 10 Cb 0.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.29 1r2u h GLU 10 CO 0.00 0.15 -0.66 1.96 -1.00 0.00 0.00 179.01 179.47 1r2u h GLN 11 N 0.00 0.25 -6.75 2.33 4.20 -1.13 -3.46 115.11 110.54 1r2u h GLN 11 Ca -0.00 -0.42 -0.45 0.00 0.06 0.00 0.00 58.65 57.84 1r2u h GLN 11 Cb 1.03 0.15 0.04 0.00 0.30 0.00 0.00 27.48 28.99 1r2u h GLN 11 CO 0.02 1.19 -0.07 -0.48 -0.67 0.00 0.00 178.83 178.83 1r2u s LEU 12 N -7.96 3.51 0.46 1.46 0.05 -0.87 -5.12 118.68 110.21 1r2u s LEU 12 Ca -0.15 0.19 0.04 0.00 0.05 0.00 0.00 54.13 54.26 1r2u s LEU 12 Cb 0.00 -3.07 -0.04 0.00 -2.05 0.00 0.00 46.19 41.03 1r2u s LEU 12 CO 0.81 -0.86 0.01 0.42 -0.55 0.00 0.00 176.35 176.17 1r2u s THR 13 N -2.63 1.53 0.47 5.48 -4.23 -1.26 -4.84 115.64 110.16 1r2u s THR 13 Ca 0.52 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.16 1r2u s THR 13 Cb -0.10 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.42 1r2u s THR 13 CO 0.38 0.00 2.07 -0.78 -0.54 0.00 0.00 174.62 175.75 1r2u h ASP 14 N 1.56 0.07 -0.68 3.99 3.58 -2.00 -2.00 116.42 120.95 1r2u h ASP 14 Ca -0.44 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.05 1r2u h ASP 14 Cb 1.28 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 1r2u h ASP 14 CO 0.77 0.13 0.40 -0.33 -2.88 0.00 0.00 179.24 177.33 1r2u h GLU 15 N 0.08 0.75 -0.59 0.28 5.08 -1.98 0.19 114.58 118.38 1r2u h GLU 15 Ca 0.02 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1r2u h GLU 15 Cb 0.12 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1r2u h GLU 15 CO 0.01 0.49 0.39 1.96 -1.00 0.00 0.00 179.01 180.86 1r2u h GLN 16 N 0.77 0.77 -0.28 2.33 4.20 -1.76 0.08 115.11 121.21 1r2u h GLN 16 Ca 0.29 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 1r2u h GLN 16 Cb 0.10 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1r2u h GLN 16 CO -0.14 0.51 -0.11 0.87 -0.67 0.00 0.00 178.83 179.28 1r2u h LYS 17 N 0.79 0.47 -0.48 1.46 6.56 -1.27 -0.33 116.57 123.77 1r2u h LYS 17 Ca 0.22 -0.13 -0.03 0.00 -1.06 0.00 0.00 60.65 59.65 1r2u h LYS 17 Cb -0.07 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 1r2u h LYS 17 CO -0.06 0.59 0.17 -0.91 -2.06 0.00 0.00 179.45 177.18 1r2u h ASN 18 N 0.44 0.69 -0.52 0.86 2.35 0.41 0.13 115.58 119.94 1r2u h ASN 18 Ca 0.08 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1r2u h ASN 18 Cb 0.47 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1r2u h ASN 18 CO 0.03 0.69 0.12 -0.33 -1.65 0.00 0.00 177.43 176.29 1r2u h GLU 19 N 0.64 0.84 -0.85 0.81 5.08 -0.60 -1.37 114.58 119.13 1r2u h GLU 19 Ca 0.16 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1r2u h GLU 19 Cb 0.24 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1r2u h GLU 19 CO -0.01 0.81 0.57 0.74 -1.00 0.00 0.00 179.01 180.11 1r2u h PHE 20 N 0.74 1.07 -0.21 4.33 -1.00 -0.72 0.32 116.94 121.47 1r2u h PHE 20 Ca 0.16 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.95 1r2u h PHE 20 Cb 0.35 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1r2u h PHE 20 CO 0.02 0.68 0.07 -0.22 -1.61 0.00 0.00 178.31 177.25 1r2u h LYS 21 N 1.16 0.33 -0.36 1.51 1.63 -0.43 0.19 116.57 120.60 1r2u h LYS 21 Ca 0.31 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1r2u h LYS 21 Cb -0.13 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 1r2u h LYS 21 CO -0.07 0.43 0.12 0.00 -3.45 0.00 0.00 179.45 176.48 1r2u h ALA 22 N 0.89 0.47 0.00 5.00 0.00 -0.92 0.20 119.26 124.91 1r2u h ALA 22 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1r2u h ALA 22 Cb 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r2u h ALA 22 CO -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.31 1r2u h ALA 23 N 0.96 1.72 0.00 0.00 0.00 -0.25 -1.54 119.26 120.16 1r2u h ALA 23 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r2u h ALA 23 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1r2u h ALA 23 CO -0.00 0.06 -0.00 0.35 0.00 0.00 0.00 179.25 179.65 1r2u h PHE 24 N 0.00 -0.00 -0.85 0.00 3.57 -0.32 -3.32 116.94 116.02 1r2u h PHE 24 Ca -0.00 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1r2u h PHE 24 Cb 0.10 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.74 1r2u h PHE 24 CO 0.00 0.31 0.41 -0.44 -2.23 0.00 0.00 178.31 176.35 1r2u h ASP 25 N -1.00 0.44 -0.60 0.41 5.19 -0.47 0.76 116.42 121.15 1r2u h ASP 25 Ca -0.00 0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.57 1r2u h ASP 25 Cb 0.31 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 1r2u h ASP 25 CO 0.00 0.14 0.40 0.16 -3.12 0.00 0.00 179.24 176.82 1r2u h ILE 26 N 0.54 1.04 0.00 0.35 3.07 -1.44 -1.53 117.51 119.54 1r2u h ILE 26 Ca 0.48 -0.22 -0.17 0.00 1.55 0.00 0.00 64.86 66.50 1r2u h ILE 26 Cb 0.76 0.34 -0.03 0.00 -0.27 0.00 0.00 36.82 37.62 1r2u h ILE 26 CO -0.41 0.12 -1.01 -0.26 -1.05 0.00 0.00 178.15 175.53 1r2u h PHE 27 N 0.64 0.00 -0.58 0.16 -1.00 -1.11 -3.31 116.94 111.75 1r2u h PHE 27 Ca 0.25 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.71 1r2u h PHE 27 Cb 0.18 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 39.56 1r2u h PHE 27 CO -0.00 0.73 0.41 -0.89 -1.61 0.00 0.00 178.31 176.95 1r2u n ILE 28 N -3.16 2.41 0.10 -0.55 2.08 0.06 -4.30 119.36 116.00 1r2u n ILE 28 Ca -0.04 -1.27 -0.03 0.00 0.56 0.00 0.00 62.75 61.98 1r2u n ILE 28 Cb 0.86 -0.81 0.18 0.00 -0.75 0.00 0.00 39.64 39.12 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 0.77 0.17 -0.36 0.38 3.07 -1.59 -3.34 115.11 114.22 1r2u h GLN 29 Ca 0.37 -0.10 -0.24 0.00 0.09 0.00 0.00 58.65 58.77 1r2u h GLN 29 Cb 1.87 0.01 -0.31 0.00 0.08 0.00 0.00 27.48 29.13 1r2u h GLN 29 CO 0.70 0.66 -0.83 -0.40 0.09 0.00 0.00 178.83 179.06 1r2u n ASP 30 N -3.92 0.39 -4.74 0.06 5.68 -1.26 -5.13 116.55 107.63 1r2u n ASP 30 Ca -0.02 -2.22 -0.30 0.00 -0.50 0.00 0.00 54.79 51.75 1r2u n ASP 30 Cb 0.56 -0.03 0.12 0.00 -1.14 0.00 0.00 41.12 40.63 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 -2.25 1.88 -0.10 2.12 0.00 -1.26 -5.00 121.76 117.15 1r2u s ALA 31 Ca 0.22 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 1r2u s ALA 31 Cb 0.38 -3.24 -0.28 0.00 0.00 0.00 0.00 23.12 19.98 1r2u s ALA 31 CO -0.06 -2.09 0.77 0.93 0.00 0.00 0.00 175.76 175.31 1r2u h GLU 32 N -1.36 0.15 0.00 0.00 5.08 -1.97 -3.39 114.58 113.09 1r2u h GLU 32 Ca -0.46 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 57.63 1r2u h GLU 32 Cb 1.26 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1r2u h GLU 32 CO 0.52 1.12 -0.41 -0.25 -1.00 0.00 0.00 179.01 178.99 1r2u n ASP 33 N -4.34 1.71 -2.49 1.42 9.92 -1.26 -4.98 116.55 116.53 1r2u n ASP 33 Ca -0.14 -3.33 -0.13 0.00 -0.53 0.00 0.00 54.79 50.66 1r2u n ASP 33 Cb 0.67 -0.45 0.05 0.00 -0.64 0.00 0.00 41.12 40.75 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 -0.96 -0.03 3.69 0.44 0.00 -1.26 -5.03 105.19 102.04 1r2u n GLY 34 Ca 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.97 2.33 0.20 0.00 -5.25 -0.82 -4.63 121.20 109.06 1r2u s ILE 36 Ca 0.17 -1.05 -0.05 0.00 -0.99 0.00 0.00 60.65 58.74 1r2u s ILE 36 Cb -0.03 -2.37 -0.05 0.00 2.95 0.00 0.00 42.46 42.95 1r2u s ILE 36 CO 0.07 0.00 0.45 -0.55 -1.79 0.00 0.00 174.94 173.12 1r2u s SER 37 N -4.55 6.48 0.19 4.36 0.15 -1.26 0.10 113.70 119.17 1r2u s SER 37 Ca 0.58 0.64 -0.12 0.00 0.70 0.00 0.00 55.95 57.75 1r2u s SER 37 Cb -0.06 -2.11 0.12 0.00 -1.71 0.00 0.00 66.02 62.25 1r2u s SER 37 CO 0.36 -0.04 1.84 0.71 1.20 0.00 0.00 173.24 177.31 1r2u h THR 38 N 1.79 1.19 0.00 6.45 1.35 -1.88 -1.70 112.91 120.10 1r2u h THR 38 Ca -0.47 -0.40 -0.05 0.00 -0.55 0.00 0.00 66.41 64.95 1r2u h THR 38 Cb 1.18 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1r2u h THR 38 CO 0.70 0.19 -0.24 0.07 -0.25 0.00 0.00 175.52 175.99 1r2u h LYS 39 N 0.90 0.00 0.00 4.72 2.10 -1.95 -2.66 116.57 119.68 1r2u h LYS 39 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1r2u h LYS 39 Cb -0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1r2u h LYS 39 CO -0.05 0.24 0.00 0.39 -2.00 0.00 0.00 179.45 178.03 1r2u n GLU 40 N -3.43 0.94 -0.26 0.07 -0.58 -0.66 -3.73 120.64 112.99 1r2u n GLU 40 Ca -0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1r2u n GLU 40 Cb 0.43 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.96 -2.63 -4.62 7.12 -1.27 -1.82 115.31 113.04 1r2u h LEU 41 Ca 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.87 1r2u h LEU 41 Cb 0.02 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 39.91 1r2u h LEU 41 CO 0.00 0.83 0.01 1.23 -0.13 0.00 0.00 178.44 180.38 1r2u h GLY 42 N 1.01 0.00 0.61 3.75 0.00 -1.80 -1.76 103.07 104.88 1r2u h GLY 42 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.42 1r2u h GLY 42 CO -0.03 0.00 -0.67 1.70 0.00 0.00 0.00 176.54 177.54 1r2u h LYS 43 N 0.00 0.27 -0.41 4.80 3.64 -1.58 -3.18 116.57 120.11 1r2u h LYS 43 Ca 0.00 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 1r2u h LYS 43 Cb 0.03 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1r2u h LYS 43 CO -0.00 1.18 -0.04 -0.39 -2.27 0.00 0.00 179.45 177.93 1r2u h VAL 44 N -0.41 1.24 -0.54 2.00 -1.51 -1.17 -2.44 116.25 113.42 1r2u h VAL 44 Ca -0.11 -1.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.34 1r2u h VAL 44 Cb 1.50 0.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 1r2u h VAL 44 CO 0.13 0.34 0.26 0.24 -1.23 0.00 0.00 177.57 177.31 1r2u h MET 45 N 0.64 0.75 -0.83 5.19 2.86 -1.44 -2.03 114.93 120.07 1r2u h MET 45 Ca 0.12 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 45 Cb 0.46 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1r2u h MET 45 CO 0.02 0.58 0.43 0.00 1.06 0.00 0.00 176.91 178.99 1r2u h ARG 46 N 0.75 1.17 -0.14 1.72 3.08 -0.83 0.22 114.38 120.35 1r2u h ARG 46 Ca 0.19 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1r2u h ARG 46 Cb 0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1r2u h ARG 46 CO -0.03 0.87 -0.16 1.98 -1.07 0.00 0.00 179.97 181.57 1r2u h MET 47 N 1.17 0.22 0.19 0.04 4.05 -1.27 -3.03 114.93 116.30 1r2u h MET 47 Ca 0.29 -0.05 -0.28 0.00 -0.28 0.00 0.00 59.70 59.37 1r2u h MET 47 Cb 0.07 -0.03 0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1r2u h MET 47 CO -0.04 0.38 -1.28 -0.07 0.23 0.00 0.00 176.91 176.13 1r2u h LEU 48 N 0.21 0.63 0.00 3.39 3.38 -1.05 -3.49 115.31 118.38 1r2u h LEU 48 Ca 0.04 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1r2u h LEU 48 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1r2u h LEU 48 CO 0.03 1.60 0.00 0.61 0.09 0.00 0.00 178.44 180.77 1r2u n GLY 49 N 1.72 0.84 3.88 0.83 0.00 0.59 -5.12 105.19 107.94 1r2u n GLY 49 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 3.59 -0.49 1.61 1.11 -0.17 -4.88 119.66 120.43 1r2u s GLN 50 Ca 0.00 0.53 0.07 0.00 0.01 0.00 0.00 55.36 55.97 1r2u s GLN 50 Cb 0.00 -2.20 0.19 0.00 -1.01 0.00 0.00 33.01 29.98 1r2u s GLN 50 CO 0.00 -0.41 0.66 1.21 0.01 0.00 0.00 175.29 176.76 1r2u s ASN 51 N -4.11 -1.02 0.58 5.90 2.47 -1.26 -1.70 114.94 115.79 1r2u s ASN 51 Ca 0.52 -1.82 0.00 0.00 0.42 0.00 0.00 52.86 51.98 1r2u s ASN 51 Cb -0.11 1.57 0.00 0.00 -1.45 0.00 0.00 41.25 41.27 1r2u s ASN 51 CO 0.49 -0.08 0.00 -0.81 -3.72 0.00 0.00 177.10 172.98 1r2u n PRO 52 N 3.09 0.53 -3.42 0.43 -0.04 -1.26 -5.10 135.00 129.24 1r2u n PRO 52 Ca 0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 1r2u n PRO 52 Cb 0.55 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.34 3.87 0.29 0.52 -4.23 -1.26 -4.93 115.64 109.57 1r2u s THR 53 Ca 0.00 -1.02 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 1r2u s THR 53 Cb 0.00 -3.33 0.18 0.00 1.34 0.00 0.00 72.50 70.69 1r2u s THR 53 CO 0.00 -0.13 1.87 1.55 -0.54 0.00 0.00 174.62 177.37 1r2u h PRO 54 N 0.87 0.00 0.11 3.99 0.13 -1.99 -0.00 132.00 135.12 1r2u h PRO 54 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.39 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 0.52 0.28 -1.46 0.93 -0.23 0.00 0.00 178.00 178.04 1r2u h GLU 55 N 0.00 0.24 0.11 0.86 5.08 -2.00 -3.11 114.58 115.76 1r2u h GLU 55 Ca -0.00 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1r2u h GLU 55 Cb 0.64 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1r2u h GLU 55 CO 0.04 1.11 -0.05 1.49 -1.00 0.00 0.00 179.01 180.59 1r2u h GLU 56 N 0.06 -0.15 -0.27 2.33 4.81 -1.91 -3.27 114.58 116.19 1r2u h GLU 56 Ca -0.21 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1r2u h GLU 56 Cb 2.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 1r2u h GLU 56 CO 0.17 0.35 0.18 1.37 -0.73 0.00 0.00 179.01 180.35 1r2u h LEU 57 N -0.83 0.20 -0.88 1.64 8.10 -1.17 -2.28 115.31 120.08 1r2u h LEU 57 Ca -0.02 -0.00 0.13 0.00 0.11 0.00 0.00 57.88 58.10 1r2u h LEU 57 Cb 0.56 -0.05 -0.09 0.00 -0.44 0.00 0.00 40.66 40.65 1r2u h LEU 57 CO 0.03 0.14 0.49 -0.61 -4.11 0.00 0.00 178.44 174.37 1r2u h GLN 58 N 0.23 0.73 0.00 0.17 5.75 -1.59 0.14 115.11 120.53 1r2u h GLN 58 Ca 0.11 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1r2u h GLN 58 Cb 0.17 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 1r2u h GLN 58 CO -0.02 0.48 -0.03 0.93 -2.65 0.00 0.00 178.83 177.54 1r2u h GLU 59 N 0.75 0.00 0.04 1.69 5.08 -1.50 -1.86 114.58 118.78 1r2u h GLU 59 Ca 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1r2u h GLU 59 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1r2u h GLU 59 CO -0.31 0.03 -0.02 0.52 -1.00 0.00 0.00 179.01 178.23 1r2u h MET 60 N 0.00 -0.06 0.72 2.33 2.86 -0.80 -2.92 114.93 117.06 1r2u h MET 60 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1r2u h MET 60 Cb 0.35 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1r2u h MET 60 CO 0.00 0.58 -0.35 0.82 1.06 0.00 0.00 176.91 179.03 1r2u h ILE 61 N -0.90 0.26 -1.12 -1.22 5.03 -1.40 -0.85 117.51 117.33 1r2u h ILE 61 Ca -0.01 -0.07 0.32 0.00 -0.12 0.00 0.00 64.86 64.98 1r2u h ILE 61 Cb 0.66 0.29 -0.11 0.00 -3.03 0.00 0.00 36.82 34.63 1r2u h ILE 61 CO 0.01 0.01 0.71 -0.78 -0.68 0.00 0.00 178.15 177.42 1r2u h ASP 62 N -1.02 0.39 0.00 1.72 3.58 -1.50 0.62 116.42 120.22 1r2u h ASP 62 Ca -0.10 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1r2u h ASP 62 Cb 0.76 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1r2u h ASP 62 CO 0.16 -0.01 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.18 1r2u h GLU 63 N 0.30 -0.01 0.00 0.28 5.08 -1.29 -3.32 114.58 115.63 1r2u h GLU 63 Ca 0.67 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.98 1r2u h GLU 63 Cb 1.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 1r2u h GLU 63 CO -0.36 0.80 -0.25 -0.39 -1.00 0.00 0.00 179.01 177.82 1r2u h VAL 64 N -0.84 0.66 -0.83 3.13 -1.51 -0.07 -3.41 116.25 113.38 1r2u h VAL 64 Ca -0.00 -1.12 -0.24 0.00 -1.23 0.00 0.00 66.70 64.12 1r2u h VAL 64 Cb 0.81 1.73 -0.03 0.00 -2.13 0.00 0.00 31.29 31.67 1r2u h VAL 64 CO 0.00 0.24 0.65 -0.62 -1.23 0.00 0.00 177.57 176.61 1r2u s ASP 65 N -6.27 4.66 0.15 4.19 -1.08 0.21 -4.72 116.67 113.81 1r2u s ASP 65 Ca -0.00 -0.14 -0.17 0.00 -0.52 0.00 0.00 52.55 51.71 1r2u s ASP 65 Cb 0.11 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 39.03 1r2u s ASP 65 CO 0.64 -3.11 1.80 -0.33 0.52 0.00 0.00 175.17 174.69 1r2u h GLU 66 N 12.98 0.43 0.13 4.34 4.39 -1.88 -3.07 114.58 131.90 1r2u h GLU 66 Ca -0.01 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.38 1r2u h GLU 66 Cb 1.05 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1r2u h GLU 66 CO 1.14 0.28 -1.30 0.38 -1.16 0.00 0.00 179.01 178.35 1r2u h ASP 67 N 0.44 0.43 -3.30 1.42 3.04 -1.98 -3.49 116.42 112.99 1r2u h ASP 67 Ca 0.13 -0.48 -0.09 0.00 -3.24 0.00 0.00 57.03 53.35 1r2u h ASP 67 Cb -0.02 -0.14 0.05 0.00 -1.04 0.00 0.00 39.33 38.18 1r2u h ASP 67 CO -0.05 1.38 -0.24 0.61 -2.04 0.00 0.00 179.24 178.90 1r2u n GLY 68 N 1.56 0.24 0.12 7.15 0.00 -1.16 -5.01 105.19 108.09 1r2u n GLY 68 Ca -0.10 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.76 1.93 0.00 1.61 3.41 -1.26 -5.02 113.62 112.53 1r2u n SER 69 Ca -0.06 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1r2u n SER 69 Cb 0.55 -0.89 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 1.54 0.95 3.74 5.00 0.00 -1.26 -5.14 105.19 110.02 1r2u n GLY 70 Ca -0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 4.27 -0.28 2.61 -4.23 -1.26 -2.86 115.64 113.90 1r2u s THR 71 Ca 0.00 -0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 59.46 1r2u s THR 71 Cb 0.00 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 1r2u s THR 71 CO 0.00 0.08 0.19 -0.69 -0.54 0.00 0.00 174.62 173.65 1r2u s VAL 72 N -1.43 5.30 0.71 2.29 1.01 0.11 -4.90 120.40 123.50 1r2u s VAL 72 Ca 0.28 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1r2u s VAL 72 Cb -0.12 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.81 1r2u s VAL 72 CO 0.21 0.26 1.02 -1.81 0.00 0.00 0.00 175.10 174.77 1r2u s ASP 73 N 1.70 4.78 0.41 3.32 1.01 -1.26 -1.94 116.67 124.69 1r2u s ASP 73 Ca 0.07 0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.84 1r2u s ASP 73 Cb -0.16 -1.06 0.87 0.00 1.01 0.00 0.00 42.92 43.58 1r2u s ASP 73 CO 0.10 -1.62 2.04 0.15 0.21 0.00 0.00 175.17 176.06 1r2u h PHE 74 N -0.61 0.44 -0.40 4.23 3.57 -1.98 0.28 116.94 122.47 1r2u h PHE 74 Ca -0.44 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.31 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1r2u h PHE 74 CO 0.30 0.31 -0.23 -0.44 -2.23 0.00 0.00 178.31 176.02 1r2u h ASP 75 N 0.47 0.89 1.36 0.41 3.32 -2.00 -1.59 116.42 119.28 1r2u h ASP 75 Ca 0.12 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1r2u h ASP 75 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1r2u h ASP 75 CO -0.02 1.11 -0.19 -0.33 -1.72 0.00 0.00 179.24 178.09 1r2u h GLU 76 N 0.67 0.00 0.05 3.56 5.08 -1.66 -2.55 114.58 119.73 1r2u h GLU 76 Ca 0.08 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 1r2u h GLU 76 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1r2u h GLU 76 CO 0.07 0.19 -1.07 0.35 -1.00 0.00 0.00 179.01 177.54 1r2u h PHE 77 N 0.00 0.72 0.19 4.33 3.57 -0.24 -3.22 116.94 122.28 1r2u h PHE 77 Ca -0.00 -0.43 -0.30 0.00 3.53 0.00 0.00 57.97 60.77 1r2u h PHE 77 Cb 0.92 -0.07 0.03 0.00 2.79 0.00 0.00 35.95 39.63 1r2u h PHE 77 CO 0.00 1.27 -1.30 -0.07 -2.23 0.00 0.00 178.31 175.98 1r2u h LEU 78 N 0.23 0.82 -2.21 0.59 3.38 -1.27 -3.28 115.31 113.56 1r2u h LEU 78 Ca -0.12 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 56.98 1r2u h LEU 78 Cb 1.73 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1r2u h LEU 78 CO 0.19 1.63 0.02 -0.37 0.09 0.00 0.00 178.44 180.00 1r2u h VAL 79 N 0.14 0.77 -1.16 1.22 -1.51 -1.58 -2.62 116.25 111.52 1r2u h VAL 79 Ca -0.21 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.61 1r2u h VAL 79 Cb 2.00 0.99 -0.12 0.00 -2.13 0.00 0.00 31.29 32.02 1r2u h VAL 79 CO 0.25 0.00 0.73 0.24 -1.23 0.00 0.00 177.57 177.55 1r2u h MET 80 N 0.00 0.22 0.17 5.19 2.86 -1.62 0.75 114.93 122.50 1r2u h MET 80 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1r2u h MET 80 Cb 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1r2u h MET 80 CO -0.00 0.15 -0.08 0.52 1.06 0.00 0.00 176.91 178.55 1r2u h MET 81 N 0.23 -0.22 -0.01 1.72 2.86 -1.70 -3.32 114.93 114.49 1r2u h MET 81 Ca 0.74 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.36 1r2u h MET 81 Cb 2.05 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.75 1r2u h MET 81 CO -0.43 0.13 -0.14 -0.39 1.06 0.00 0.00 176.91 177.13 1r2u h VAL 82 N -0.96 1.11 -0.02 -2.22 -1.51 -1.41 -2.23 116.25 109.02 1r2u h VAL 82 Ca -0.02 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1r2u h VAL 82 Cb 0.45 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1r2u h VAL 82 CO 0.04 0.15 0.02 0.03 -1.23 0.00 0.00 177.57 176.58 1r2u h ARG 83 N 0.02 0.00 0.00 5.19 2.47 0.37 -1.47 114.38 120.96 1r2u h ARG 83 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1r2u h ARG 83 Cb 0.27 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1r2u h ARG 83 CO 0.02 0.00 -0.00 0.00 0.56 0.00 0.00 179.97 180.55 1r2u h MET 85 N 0.00 -0.22 -5.84 0.00 2.86 -1.45 -3.41 114.93 106.87 1r2u h MET 85 Ca -0.00 0.01 -0.63 0.00 -2.06 0.00 0.00 59.70 57.02 1r2u h MET 85 Cb 0.01 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 1r2u h MET 85 CO 0.00 -0.14 -0.31 -1.59 1.06 0.00 0.00 176.91 175.92 1r2u s LYS 86 N -6.14 3.77 -0.47 1.72 0.00 -1.04 -5.00 119.74 112.58 1r2u s LYS 86 Ca -0.14 0.19 0.03 0.00 0.00 0.00 0.00 55.97 56.05 1r2u s LYS 86 Cb 0.09 -3.22 0.48 0.00 0.00 0.00 0.00 37.83 35.18 1r2u s LYS 86 CO 0.67 0.69 1.67 -3.47 0.00 0.00 0.00 175.35 174.91 1r2u n ASP 87 N 2.01 5.60 -3.97 0.03 2.03 -1.26 -4.93 116.55 116.06 1r2u n ASP 87 Ca -0.16 -3.76 -0.25 0.00 0.52 0.00 0.00 54.79 51.13 1r2u n ASP 87 Cb 0.53 -0.71 -0.08 0.00 -0.72 0.00 0.00 41.12 40.14 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1r2u n ASP 88 N -0.91 0.71 0.00 1.67 5.75 -1.26 -5.23 116.55 117.28 1r2u n ASP 88 Ca 0.52 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1r2u n ASP 88 Cb 0.91 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89