#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p n ASN 2 N 0.00 2.20 0.27 6.12 3.02 -1.26 -4.70 115.26 120.91 1r6p n ASN 2 Ca 0.00 -3.54 0.15 0.00 -0.03 0.00 0.00 54.58 51.16 1r6p n ASN 2 Cb 0.00 -0.51 0.71 0.00 -0.61 0.00 0.00 39.78 39.37 1r6p n ASN 2 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1r6p h ASP 3 N 0.70 0.00 -0.45 6.41 5.19 -2.04 -2.86 116.42 123.38 1r6p h ASP 3 Ca 0.03 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1r6p h ASP 3 Cb 1.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1r6p h ASP 3 CO 0.07 0.09 0.30 0.16 -3.12 0.00 0.00 179.24 176.74 1r6p h ILE 4 N 0.00 1.04 -0.89 0.35 -0.00 -1.98 0.15 117.51 116.18 1r6p h ILE 4 Ca -0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 64.86 64.70 1r6p h ILE 4 Cb 0.46 0.51 -0.04 0.00 -0.00 0.00 0.00 36.82 37.75 1r6p h ILE 4 CO 0.01 0.09 0.57 1.88 -0.00 0.00 0.00 178.15 180.70 1r6p h TYR 5 N 0.48 1.13 0.00 0.16 -1.99 -1.89 -1.89 116.97 112.97 1r6p h TYR 5 Ca 0.18 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.81 1r6p h TYR 5 Cb 0.12 -0.38 -0.02 0.00 2.00 0.00 0.00 36.73 38.46 1r6p h TYR 5 CO -0.00 0.73 -0.72 0.87 -0.00 0.00 0.00 178.16 179.03 1r6p h LYS 6 N 1.21 0.00 0.00 4.88 1.57 -1.48 -3.22 116.57 119.53 1r6p h LYS 6 Ca 0.32 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.03 1r6p h LYS 6 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1r6p h LYS 6 CO -0.07 0.42 -0.33 0.00 -0.57 0.00 0.00 179.45 178.91 1r6p h ALA 7 N 1.51 1.24 0.14 3.86 0.00 -0.14 -2.26 119.26 123.60 1r6p h ALA 7 Ca -0.04 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1r6p h ALA 7 Cb 1.41 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1r6p h ALA 7 CO 0.06 0.41 -1.02 0.00 0.00 0.00 0.00 179.25 178.70 1r6p h ALA 8 N 1.67 -0.01 0.00 0.00 0.00 -1.42 -3.17 119.26 116.33 1r6p h ALA 8 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 1r6p h ALA 8 Cb 0.68 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1r6p h ALA 8 CO 0.04 0.53 -0.14 -0.24 0.00 0.00 0.00 179.25 179.43 1r6p h VAL 9 N -0.34 0.71 0.00 0.00 3.04 -1.56 0.45 116.25 118.54 1r6p h VAL 9 Ca -0.20 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 1r6p h VAL 9 Cb 1.69 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1r6p h VAL 9 CO 0.12 0.14 -0.17 1.05 -1.01 0.00 0.00 177.57 177.70 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.50 -3.32 114.58 118.04 1r6p h GLU 10 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1r6p h GLU 10 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1r6p h GLU 10 CO 0.02 0.00 -0.21 0.00 0.07 0.00 0.00 179.01 178.89 1r6p n GLN 11 N -2.76 1.05 -1.36 1.06 10.64 -0.71 -5.07 117.38 120.22 1r6p n GLN 11 Ca 0.04 -2.39 -0.26 0.00 -1.83 0.00 0.00 57.00 52.57 1r6p n GLN 11 Cb 0.50 -1.28 0.19 0.00 -0.86 0.00 0.00 30.24 28.80 1r6p n GLN 11 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1r6p n LEU 12 N -1.06 0.00 -4.95 2.61 -0.00 0.07 -5.02 117.00 108.65 1r6p n LEU 12 Ca 0.13 -1.16 -0.23 0.00 -0.00 0.00 0.00 56.01 54.75 1r6p n LEU 12 Cb 0.68 -0.88 0.01 0.00 -0.00 0.00 0.00 43.42 43.23 1r6p n LEU 12 CO -0.00 -1.59 0.30 0.42 -0.00 0.00 0.00 177.39 176.51 1r6p s THR 13 N -3.21 4.01 0.28 1.47 -4.23 -1.26 -5.00 115.64 107.70 1r6p s THR 13 Ca 0.64 -0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.76 1r6p s THR 13 Cb -0.03 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1r6p s THR 13 CO 0.46 -0.35 1.65 0.44 -0.54 0.00 0.00 174.62 176.28 1r6p h ASP 14 N 0.37 0.17 -0.21 3.99 3.32 -2.00 -2.76 116.42 119.30 1r6p h ASP 14 Ca -0.46 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.33 1r6p h ASP 14 Cb 1.25 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1r6p h ASP 14 CO 0.58 0.66 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.92 1r6p h GLU 15 N 0.12 0.79 -0.77 3.56 5.08 -1.98 -1.78 114.58 119.59 1r6p h GLU 15 Ca 0.00 -0.48 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1r6p h GLU 15 Cb 0.96 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1r6p h GLU 15 CO 0.08 1.11 0.50 0.37 -1.00 0.00 0.00 179.01 180.07 1r6p h GLN 16 N 0.62 0.98 -0.34 2.33 4.15 -1.92 -0.33 115.11 120.59 1r6p h GLN 16 Ca 0.02 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1r6p h GLN 16 Cb 1.09 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1r6p h GLN 16 CO 0.11 0.65 -0.28 0.87 -1.93 0.00 0.00 178.83 178.25 1r6p h LYS 17 N 1.01 0.71 -0.01 1.69 1.57 -1.40 -2.92 116.57 117.21 1r6p h LYS 17 Ca 0.30 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1r6p h LYS 17 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1r6p h LYS 17 CO -0.08 0.91 -0.35 -0.91 -0.57 0.00 0.00 179.45 178.44 1r6p h ASN 18 N 0.61 0.03 -0.26 0.86 2.35 -0.49 0.24 115.58 118.92 1r6p h ASN 18 Ca 0.08 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1r6p h ASN 18 Cb 0.78 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 1r6p h ASN 18 CO 0.06 0.38 0.07 -0.33 -1.65 0.00 0.00 177.43 175.96 1r6p h GLU 19 N 0.02 0.17 0.14 0.81 5.08 -0.89 -0.16 114.58 119.76 1r6p h GLU 19 Ca -0.00 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1r6p h GLU 19 Cb 0.64 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1r6p h GLU 19 CO 0.05 0.11 -1.64 0.74 -1.00 0.00 0.00 179.01 177.27 1r6p h PHE 20 N 0.17 0.56 -0.91 4.33 -1.00 -1.60 -3.32 116.94 115.16 1r6p h PHE 20 Ca 0.12 -0.41 0.07 0.00 2.81 0.00 0.00 57.97 60.56 1r6p h PHE 20 Cb 0.11 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.59 1r6p h PHE 20 CO -0.15 1.64 0.59 -0.22 -1.61 0.00 0.00 178.31 178.57 1r6p h LYS 21 N -0.09 1.01 0.27 1.51 3.11 -0.51 0.89 116.57 122.75 1r6p h LYS 21 Ca -0.34 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.43 1r6p h LYS 21 Cb 1.93 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 1r6p h LYS 21 CO 0.11 0.67 -0.13 0.00 -2.81 0.00 0.00 179.45 177.28 1r6p h ALA 22 N 1.51 -0.36 -0.41 5.00 0.00 -1.17 0.13 119.26 123.95 1r6p h ALA 22 Ca 0.39 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1r6p h ALA 22 Cb 0.20 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1r6p h ALA 22 CO -0.15 -0.69 -0.09 0.00 0.00 0.00 0.00 179.25 178.32 1r6p h ALA 23 N 0.34 1.07 -0.42 0.00 0.00 -1.54 -2.85 119.26 115.87 1r6p h ALA 23 Ca -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1r6p h ALA 23 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1r6p h ALA 23 CO 0.06 0.57 0.24 0.35 0.00 0.00 0.00 179.25 180.48 1r6p h PHE 24 N 0.66 0.45 -0.70 0.00 3.04 0.12 0.13 116.94 120.64 1r6p h PHE 24 Ca 0.12 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.10 1r6p h PHE 24 Cb 0.54 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 1r6p h PHE 24 CO 0.03 0.26 0.46 0.22 -2.02 0.00 0.00 178.31 177.25 1r6p h ASP 25 N 0.49 0.77 -0.05 0.41 3.58 -0.52 0.04 116.42 121.15 1r6p h ASP 25 Ca 0.17 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.37 1r6p h ASP 25 Cb 0.02 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 40.90 1r6p h ASP 25 CO -0.08 0.55 -0.87 0.16 -2.88 0.00 0.00 179.24 176.12 1r6p h ILE 26 N 0.92 1.29 -0.06 2.25 3.07 -1.30 -2.59 117.51 121.09 1r6p h ILE 26 Ca 0.26 -2.09 -0.10 0.00 1.55 0.00 0.00 64.86 64.48 1r6p h ILE 26 Cb -0.07 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 1r6p h ILE 26 CO -0.07 0.66 -0.42 -0.26 -1.05 0.00 0.00 178.15 177.00 1r6p h PHE 27 N 0.47 0.14 -0.55 0.16 0.04 -0.57 -2.54 116.94 114.08 1r6p h PHE 27 Ca -0.08 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1r6p h PHE 27 Cb 1.51 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1r6p h PHE 27 CO 0.09 0.53 0.00 0.44 -0.60 0.00 0.00 178.31 178.77 1r6p n ILE 28 N -4.02 1.44 -0.31 -0.55 -6.64 -0.01 -4.49 119.36 104.77 1r6p n ILE 28 Ca -0.02 -0.96 0.14 0.00 -1.77 0.00 0.00 62.75 60.15 1r6p n ILE 28 Cb 0.47 0.09 0.33 0.00 -1.44 0.00 0.00 39.64 39.09 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 1r6p h GLN 29 N 3.43 0.41 -0.56 6.28 4.15 -1.03 0.14 115.11 127.91 1r6p h GLN 29 Ca 0.00 -0.02 -0.33 0.00 0.77 0.00 0.00 58.65 59.07 1r6p h GLN 29 Cb 1.20 -0.09 -0.20 0.00 0.21 0.00 0.00 27.48 28.61 1r6p h GLN 29 CO 0.18 0.27 0.04 -0.25 -1.93 0.00 0.00 178.83 177.14 1r6p n ASP 30 N -5.03 3.47 -4.96 -0.69 9.92 -1.26 -5.01 116.55 112.99 1r6p n ASP 30 Ca 0.23 -3.77 -0.23 0.00 -0.53 0.00 0.00 54.79 50.50 1r6p n ASP 30 Cb 0.68 -0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 40.47 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r6p s ALA 31 N -3.36 3.92 -0.09 2.24 0.00 0.49 -5.03 121.76 119.92 1r6p s ALA 31 Ca 0.49 -1.13 0.13 0.00 0.00 0.00 0.00 51.96 51.45 1r6p s ALA 31 Cb 0.43 -1.79 0.25 0.00 0.00 0.00 0.00 23.12 22.01 1r6p s ALA 31 CO 0.02 0.31 1.12 0.39 0.00 0.00 0.00 175.76 177.59 1r6p n GLU 32 N -1.18 0.77 -0.41 0.00 1.02 -1.26 -4.75 120.64 114.82 1r6p n GLU 32 Ca -0.08 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 1r6p n GLU 32 Cb 0.56 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1r6p n ASP 33 N -0.67 0.00 -3.58 1.62 2.03 -1.26 -5.03 116.55 109.66 1r6p n ASP 33 Ca 0.10 -1.42 -0.20 0.00 0.52 0.00 0.00 54.79 53.79 1r6p n ASP 33 Cb 0.74 -0.08 0.05 0.00 -0.72 0.00 0.00 41.12 41.11 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r6p n GLY 34 N 0.00 -0.44 3.24 0.27 0.00 -1.26 -5.01 105.19 101.98 1r6p n GLY 34 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1r6p n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6p s ILE 36 N 0.15 3.65 -0.48 0.00 -5.25 -0.16 -4.65 121.20 114.45 1r6p s ILE 36 Ca -0.00 -0.10 -0.25 0.00 -0.99 0.00 0.00 60.65 59.30 1r6p s ILE 36 Cb -0.02 -3.43 0.03 0.00 2.95 0.00 0.00 42.46 41.98 1r6p s ILE 36 CO 0.01 -0.42 0.93 -0.55 -1.79 0.00 0.00 174.94 173.12 1r6p s SER 37 N -4.30 6.46 0.38 4.36 0.15 -1.26 -1.23 113.70 118.25 1r6p s SER 37 Ca 0.53 0.00 0.07 0.00 0.70 0.00 0.00 55.95 57.25 1r6p s SER 37 Cb -0.10 -2.45 0.79 0.00 -1.71 0.00 0.00 66.02 62.55 1r6p s SER 37 CO 0.44 -1.10 1.99 0.00 1.20 0.00 0.00 173.24 175.77 1r6p h THR 38 N 6.07 1.05 0.00 6.45 1.03 -1.89 0.13 112.91 125.75 1r6p h THR 38 Ca -0.25 -0.24 -0.04 0.00 -0.01 0.00 0.00 66.41 65.88 1r6p h THR 38 Cb 1.07 0.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 1r6p h THR 38 CO 1.04 0.13 -0.17 0.07 -0.01 0.00 0.00 175.52 176.58 1r6p h LYS 39 N 0.69 0.00 -0.48 0.00 2.10 -1.91 -1.79 116.57 115.19 1r6p h LYS 39 Ca 0.26 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.81 1r6p h LYS 39 Cb 0.17 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.44 1r6p h LYS 39 CO -0.08 0.17 0.08 0.39 -2.00 0.00 0.00 179.45 178.01 1r6p n GLU 40 N -3.84 3.31 0.00 0.07 1.02 0.37 -4.52 120.64 117.05 1r6p n GLU 40 Ca -0.02 -3.02 0.10 0.00 -0.02 0.00 0.00 57.16 54.20 1r6p n GLU 40 Cb 0.27 -2.03 0.44 0.00 -0.02 0.00 0.00 31.44 30.10 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1r6p n LEU 41 N -0.33 0.00 -0.04 -4.62 0.00 -0.61 -3.14 117.00 108.27 1r6p n LEU 41 Ca 0.31 0.48 0.05 0.00 0.00 0.00 0.00 56.01 56.85 1r6p n LEU 41 Cb 1.12 -0.48 0.42 0.00 0.00 0.00 0.00 43.42 44.48 1r6p n LEU 41 CO 0.28 -0.15 1.18 1.23 0.00 0.00 0.00 177.39 179.93 1r6p h GLY 42 N 3.49 0.64 2.00 -3.96 0.00 -1.80 0.13 103.07 103.56 1r6p h GLY 42 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1r6p h GLY 42 CO 0.00 0.21 -0.00 0.50 0.00 0.00 0.00 176.54 177.25 1r6p h LYS 43 N 0.58 0.00 0.10 4.80 1.79 -1.93 -2.72 116.57 119.20 1r6p h LYS 43 Ca 0.19 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.32 1r6p h LYS 43 Cb 0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1r6p h LYS 43 CO -0.05 0.00 -1.85 0.28 -1.08 0.00 0.00 179.45 176.76 1r6p n VAL 44 N -3.09 1.74 -0.24 0.50 0.31 0.22 -3.67 118.33 114.10 1r6p n VAL 44 Ca 0.00 -0.53 0.02 0.00 -0.01 0.00 0.00 64.34 63.82 1r6p n VAL 44 Cb 0.29 -1.80 0.15 0.00 -0.91 0.00 0.00 33.84 31.56 1r6p n VAL 44 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1r6p h MET 45 N -0.14 0.47 -0.15 5.55 4.05 -0.78 0.46 114.93 124.38 1r6p h MET 45 Ca -0.41 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 58.93 1r6p h MET 45 Cb 1.89 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.58 1r6p h MET 45 CO 0.03 0.31 -0.13 0.07 0.23 0.00 0.00 176.91 177.42 1r6p h ARG 46 N 0.48 0.23 0.00 0.39 0.11 -1.32 0.04 114.38 114.32 1r6p h ARG 46 Ca 0.36 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 60.24 1r6p h ARG 46 Cb 0.47 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 1r6p h ARG 46 CO -0.33 0.37 -0.70 0.52 0.10 0.00 0.00 179.97 179.93 1r6p h MET 47 N 0.22 0.00 0.00 0.08 2.86 -0.83 -3.21 114.93 114.05 1r6p h MET 47 Ca 0.05 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 1r6p h MET 47 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1r6p h MET 47 CO 0.02 0.70 -0.80 -0.07 1.06 0.00 0.00 176.91 177.82 1r6p h LEU 48 N 0.00 0.00 0.00 1.22 4.07 0.40 -3.47 115.31 117.53 1r6p h LEU 48 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r6p h LEU 48 Cb 1.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.21 1r6p h LEU 48 CO 0.09 0.80 0.00 0.61 -1.08 0.00 0.00 178.44 178.86 1r6p n GLY 49 N 0.78 1.47 3.43 0.83 0.00 -0.61 -5.09 105.19 106.01 1r6p n GLY 49 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1r6p n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r6p s GLN 50 N -0.13 0.56 -0.54 1.61 -2.07 -0.10 -5.03 119.66 113.97 1r6p s GLN 50 Ca 0.00 0.92 0.04 0.00 -1.82 0.00 0.00 55.36 54.49 1r6p s GLN 50 Cb 0.00 0.12 0.14 0.00 -1.09 0.00 0.00 33.01 32.18 1r6p s GLN 50 CO 0.00 -0.13 0.32 1.21 -1.32 0.00 0.00 175.29 175.36 1r6p s ASN 51 N 1.17 4.11 0.00 12.60 3.84 -1.26 -2.81 114.94 132.59 1r6p s ASN 51 Ca -0.07 -3.13 0.00 0.00 0.21 0.00 0.00 52.86 49.87 1r6p s ASN 51 Cb -0.06 -1.41 0.00 0.00 -0.55 0.00 0.00 41.25 39.23 1r6p s ASN 51 CO -0.11 -0.20 0.00 -0.81 -2.79 0.00 0.00 177.10 173.19 1r6p n PRO 52 N 2.92 1.36 -3.13 0.43 -0.04 -1.26 -5.11 135.00 130.17 1r6p n PRO 52 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1r6p n PRO 52 Cb 0.34 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.84 1r6p n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r6p s THR 53 N 0.35 2.29 0.07 0.52 -4.23 -1.26 -4.91 115.64 108.46 1r6p s THR 53 Ca 0.00 -1.06 0.18 0.00 -1.18 0.00 0.00 61.69 59.63 1r6p s THR 53 Cb 0.00 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.62 1r6p s THR 53 CO 0.00 0.00 1.66 1.55 -0.54 0.00 0.00 174.62 177.29 1r6p h PRO 54 N 0.35 0.00 0.23 3.99 0.13 -1.99 0.16 132.00 134.87 1r6p h PRO 54 Ca -0.33 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.48 1r6p h PRO 54 Cb 1.29 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.45 1r6p h PRO 54 CO 0.44 0.40 -1.44 0.93 -0.23 0.00 0.00 178.00 178.10 1r6p h GLU 55 N 0.00 0.49 0.03 0.86 5.08 -2.00 -3.15 114.58 115.89 1r6p h GLU 55 Ca -0.00 -0.83 -0.21 0.00 -1.00 0.00 0.00 59.36 57.31 1r6p h GLU 55 Cb 1.03 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1r6p h GLU 55 CO 0.05 1.40 -0.98 1.49 -1.00 0.00 0.00 179.01 179.97 1r6p h GLU 56 N 0.13 0.15 -0.42 2.33 4.81 -1.94 -2.13 114.58 117.51 1r6p h GLU 56 Ca -0.23 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1r6p h GLU 56 Cb 2.13 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.56 1r6p h GLU 56 CO 0.26 1.01 0.28 1.25 -0.73 0.00 0.00 179.01 181.08 1r6p h LEU 57 N 0.06 0.48 -0.29 1.64 7.12 -0.78 0.12 115.31 123.67 1r6p h LEU 57 Ca -0.05 -0.01 -0.20 0.00 0.13 0.00 0.00 57.88 57.75 1r6p h LEU 57 Cb 1.66 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.66 1r6p h LEU 57 CO 0.14 0.35 -0.86 -0.61 -0.13 0.00 0.00 178.44 177.33 1r6p h GLN 58 N 0.57 0.27 -0.36 1.25 5.75 -1.60 -3.07 115.11 117.91 1r6p h GLN 58 Ca 0.15 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1r6p h GLN 58 Cb -0.06 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1r6p h GLN 58 CO -0.03 0.98 0.01 0.93 -2.65 0.00 0.00 178.83 178.07 1r6p h GLU 59 N 0.16 0.63 -0.08 1.69 5.08 -1.01 -0.19 114.58 120.85 1r6p h GLU 59 Ca -0.05 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1r6p h GLU 59 Cb 1.48 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1r6p h GLU 59 CO 0.14 0.73 -0.30 0.00 -1.00 0.00 0.00 179.01 178.58 1r6p h MET 60 N 0.45 0.15 0.02 2.33 -0.00 -0.84 -2.58 114.93 114.47 1r6p h MET 60 Ca 0.10 -0.05 -0.07 0.00 -0.00 0.00 0.00 59.70 59.68 1r6p h MET 60 Cb 0.44 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1r6p h MET 60 CO 0.02 0.45 -0.28 0.82 -0.00 0.00 0.00 176.91 177.91 1r6p h ILE 61 N 0.14 1.59 -0.93 -0.10 1.08 -1.42 -3.13 117.51 114.73 1r6p h ILE 61 Ca 0.02 -2.10 0.22 0.00 -0.39 0.00 0.00 64.86 62.61 1r6p h ILE 61 Cb 0.61 2.94 -0.07 0.00 -3.07 0.00 0.00 36.82 37.23 1r6p h ILE 61 CO 0.04 0.57 0.62 -0.78 -0.69 0.00 0.00 178.15 177.91 1r6p h ASP 62 N -0.58 0.38 0.22 1.72 1.82 -0.96 0.48 116.42 119.51 1r6p h ASP 62 Ca -0.04 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1r6p h ASP 62 Cb 1.09 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1r6p h ASP 62 CO 0.05 0.14 -0.11 -0.33 -1.61 0.00 0.00 179.24 177.39 1r6p h GLU 63 N 0.37 -0.29 0.00 0.28 5.08 -1.49 -3.12 114.58 115.42 1r6p h GLU 63 Ca 0.49 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.78 1r6p h GLU 63 Cb 1.28 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1r6p h GLU 63 CO -0.18 0.02 -0.40 -0.24 -1.00 0.00 0.00 179.01 177.20 1r6p h VAL 64 N -0.60 1.25 -3.11 3.13 3.04 -1.21 -3.41 116.25 115.34 1r6p h VAL 64 Ca -0.03 -1.40 -0.57 0.00 -1.01 0.00 0.00 66.70 63.69 1r6p h VAL 64 Cb 0.43 1.76 -0.05 0.00 -2.01 0.00 0.00 31.29 31.43 1r6p h VAL 64 CO 0.05 0.39 1.12 -0.62 -1.01 0.00 0.00 177.57 177.51 1r6p s ASP 65 N -6.87 6.24 0.05 3.17 -1.08 0.16 -4.88 116.67 113.46 1r6p s ASP 65 Ca -0.02 0.98 -0.18 0.00 -0.52 0.00 0.00 52.55 52.81 1r6p s ASP 65 Cb 0.14 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.91 1r6p s ASP 65 CO 0.72 -1.48 1.28 -0.33 0.52 0.00 0.00 175.17 175.88 1r6p h GLU 66 N 11.19 0.49 0.18 4.34 5.08 -1.82 -3.33 114.58 130.71 1r6p h GLU 66 Ca -0.29 -0.34 -0.34 0.00 -1.00 0.00 0.00 59.36 57.39 1r6p h GLU 66 Cb 1.12 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.43 1r6p h GLU 66 CO 1.07 0.95 -1.64 0.38 -1.00 0.00 0.00 179.01 178.77 1r6p h ASP 67 N 0.10 0.60 -3.44 1.42 3.04 -1.94 -3.49 116.42 112.72 1r6p h ASP 67 Ca -0.00 -0.82 -0.13 0.00 -3.24 0.00 0.00 57.03 52.83 1r6p h ASP 67 Cb 0.96 -0.20 0.07 0.00 -1.04 0.00 0.00 39.33 39.13 1r6p h ASP 67 CO 0.08 1.68 -0.31 0.61 -2.04 0.00 0.00 179.24 179.26 1r6p n GLY 68 N 1.78 0.13 0.81 7.15 0.00 -1.25 -4.94 105.19 108.87 1r6p n GLY 68 Ca -0.21 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1r6p n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r6p n SER 69 N -1.77 2.31 -1.00 1.61 3.41 -1.26 -4.87 113.62 112.05 1r6p n SER 69 Ca -0.11 -2.15 -0.10 0.00 -0.26 0.00 0.00 58.87 56.24 1r6p n SER 69 Cb 0.57 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1r6p n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r6p n GLY 70 N 0.78 0.50 3.36 5.00 0.00 -1.26 -5.00 105.19 108.57 1r6p n GLY 70 Ca 0.12 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1r6p n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r6p s THR 71 N -2.46 0.03 -0.21 2.61 -4.23 -1.26 -3.68 115.64 106.44 1r6p s THR 71 Ca 0.00 -0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1r6p s THR 71 Cb 0.00 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 1r6p s THR 71 CO 0.00 -0.13 0.02 -0.69 -0.54 0.00 0.00 174.62 173.28 1r6p s VAL 72 N -1.00 4.07 0.57 2.29 1.01 -0.37 -4.84 120.40 122.13 1r6p s VAL 72 Ca -0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1r6p s VAL 72 Cb -0.03 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1r6p s VAL 72 CO 0.06 0.41 0.92 -1.81 0.00 0.00 0.00 175.10 174.67 1r6p s ASP 73 N 1.15 6.07 0.48 3.32 1.11 -1.26 -0.99 116.67 126.56 1r6p s ASP 73 Ca 0.03 1.08 0.16 0.00 0.18 0.00 0.00 52.55 54.01 1r6p s ASP 73 Cb -0.14 -2.21 1.17 0.00 1.07 0.00 0.00 42.92 42.81 1r6p s ASP 73 CO 0.02 -0.83 2.06 0.15 1.18 0.00 0.00 175.17 177.75 1r6p h PHE 74 N -0.11 0.19 -0.27 4.23 3.57 -1.99 0.62 116.94 123.19 1r6p h PHE 74 Ca -0.45 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 1r6p h PHE 74 Cb 1.21 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1r6p h PHE 74 CO 0.58 0.10 -0.11 -0.44 -2.23 0.00 0.00 178.31 176.22 1r6p h ASP 75 N 0.19 0.56 0.36 0.41 3.32 -1.95 -0.94 116.42 118.36 1r6p h ASP 75 Ca 0.15 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 1r6p h ASP 75 Cb 0.35 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1r6p h ASP 75 CO -0.02 0.83 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.53 1r6p h GLU 76 N 0.28 0.13 0.11 3.56 5.08 -1.52 -0.45 114.58 121.78 1r6p h GLU 76 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1r6p h GLU 76 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1r6p h GLU 76 CO 0.03 0.57 -0.05 0.35 -1.00 0.00 0.00 179.01 178.92 1r6p h PHE 77 N 0.11 -0.14 0.00 4.33 3.57 0.39 -2.53 116.94 122.67 1r6p h PHE 77 Ca 0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1r6p h PHE 77 Cb 0.87 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1r6p h PHE 77 CO 0.01 0.12 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.90 1r6p h LEU 78 N -0.39 0.00 -0.21 0.59 4.07 -1.14 -3.15 115.31 115.07 1r6p h LEU 78 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1r6p h LEU 78 Cb 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1r6p h LEU 78 CO 0.02 0.24 0.09 0.58 -1.08 0.00 0.00 178.44 178.29 1r6p h VAL 79 N 0.00 1.16 -1.33 1.22 2.07 -0.92 -2.50 116.25 115.96 1r6p h VAL 79 Ca -0.00 -0.49 0.39 0.00 0.82 0.00 0.00 66.70 67.41 1r6p h VAL 79 Cb 0.86 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 1r6p h VAL 79 CO 0.03 0.16 0.93 -0.03 0.02 0.00 0.00 177.57 178.68 1r6p h MET 80 N 0.19 0.07 0.44 1.57 -1.53 -1.41 0.23 114.93 114.49 1r6p h MET 80 Ca 0.07 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.31 1r6p h MET 80 Cb 0.17 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.21 1r6p h MET 80 CO -0.01 0.05 -0.21 0.52 0.14 0.00 0.00 176.91 177.40 1r6p h MET 81 N 0.08 -0.56 0.00 0.39 2.07 -1.59 -3.11 114.93 112.20 1r6p h MET 81 Ca 0.67 0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 58.28 1r6p h MET 81 Cb 2.46 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 32.31 1r6p h MET 81 CO -0.11 -0.26 -0.27 -0.39 1.07 0.00 0.00 176.91 176.95 1r6p h VAL 82 N -0.89 1.10 -0.93 -2.22 -1.51 -1.11 -2.73 116.25 107.96 1r6p h VAL 82 Ca -0.06 -0.97 0.18 0.00 -1.23 0.00 0.00 66.70 64.63 1r6p h VAL 82 Cb 0.57 1.53 -0.08 0.00 -2.13 0.00 0.00 31.29 31.18 1r6p h VAL 82 CO 0.10 0.27 0.60 0.03 -1.23 0.00 0.00 177.57 177.34 1r6p h ARG 83 N 0.00 0.58 -0.79 5.19 2.47 -0.56 0.12 114.38 121.39 1r6p h ARG 83 Ca -0.00 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1r6p h ARG 83 Cb 0.51 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 1r6p h ARG 83 CO 0.04 0.38 0.39 0.00 0.56 0.00 0.00 179.97 181.34 1r6p h MET 85 N 1.11 -0.52 -2.56 0.00 1.85 -0.92 -3.50 114.93 110.39 1r6p h MET 85 Ca 0.27 0.04 0.12 0.00 -0.61 0.00 0.00 59.70 59.52 1r6p h MET 85 Cb 0.11 0.12 -0.07 0.00 0.43 0.00 0.00 31.60 32.19 1r6p h MET 85 CO -0.04 -0.35 -0.79 1.17 -0.40 0.00 0.00 176.91 176.50 1r6p n LYS 86 N -3.78 -2.65 -1.15 0.39 4.81 -0.72 -4.82 118.16 110.24 1r6p n LYS 86 Ca -0.07 2.11 -0.04 0.00 -0.87 0.00 0.00 58.31 59.44 1r6p n LYS 86 Cb 0.21 -2.80 0.14 0.00 0.02 0.00 0.00 35.03 32.60 1r6p n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1r6p n ASP 87 N -2.94 2.77 -2.71 3.14 -0.08 -1.26 -5.03 116.55 110.45 1r6p n ASP 87 Ca -0.03 -3.76 -0.01 0.00 -1.51 0.00 0.00 54.79 49.48 1r6p n ASP 87 Cb 0.41 -0.46 -0.01 0.00 2.34 0.00 0.00 41.12 43.41 1r6p n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1r6p n ASP 88 N -0.92 -7.20 -0.94 1.67 8.00 -1.26 -5.15 116.55 110.74 1r6p n ASP 88 Ca 0.27 1.44 0.12 0.00 0.71 0.00 0.00 54.79 57.33 1r6p n ASP 88 Cb 0.80 -5.36 0.12 0.00 -0.02 0.00 0.00 41.12 36.66 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61