#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p s ASN 2 N 0.00 6.39 -0.16 7.83 0.02 -1.26 -4.78 114.94 122.98 1r6p s ASN 2 Ca 0.00 -3.43 0.17 0.00 -1.02 0.00 0.00 52.86 48.58 1r6p s ASN 2 Cb 0.00 -2.03 -0.24 0.00 0.02 0.00 0.00 41.25 39.00 1r6p s ASN 2 CO 0.00 -0.29 0.11 0.47 0.02 0.00 0.00 177.10 177.41 1r6p n ASP 3 N 2.82 0.39 0.01 -1.22 9.92 -1.26 -4.20 116.55 123.01 1r6p n ASP 3 Ca 0.19 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.39 1r6p n ASP 3 Cb 0.39 1.08 0.12 0.00 -0.64 0.00 0.00 41.12 42.07 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1r6p h ILE 4 N 0.00 1.31 -0.48 0.53 -0.00 -1.98 0.88 117.51 117.76 1r6p h ILE 4 Ca -0.44 -1.60 -0.11 0.00 -0.00 0.00 0.00 64.86 62.71 1r6p h ILE 4 Cb 2.00 1.61 -0.02 0.00 -0.00 0.00 0.00 36.82 40.41 1r6p h ILE 4 CO 0.02 0.50 -0.13 1.88 -0.00 0.00 0.00 178.15 180.43 1r6p h TYR 5 N 0.42 1.00 0.00 0.16 0.05 -1.96 -2.13 116.97 114.50 1r6p h TYR 5 Ca 0.03 -0.20 -0.18 0.00 0.05 0.00 0.00 58.73 58.43 1r6p h TYR 5 Cb 0.92 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1r6p h TYR 5 CO 0.03 0.96 -0.84 -0.22 -1.05 0.00 0.00 178.16 177.05 1r6p h LYS 6 N 0.80 0.01 0.00 4.88 3.64 -1.69 -2.84 116.57 121.36 1r6p h LYS 6 Ca 0.13 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1r6p h LYS 6 Cb 0.65 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1r6p h LYS 6 CO 0.05 0.84 -0.21 0.00 -2.27 0.00 0.00 179.45 177.86 1r6p h ALA 7 N 1.16 1.07 0.10 5.00 0.00 -0.54 -2.63 119.26 123.41 1r6p h ALA 7 Ca -0.01 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1r6p h ALA 7 Cb 1.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1r6p h ALA 7 CO 0.11 0.26 -1.26 0.00 0.00 0.00 0.00 179.25 178.37 1r6p h ALA 8 N 1.79 0.15 0.00 0.00 0.00 -1.34 -3.31 119.26 116.55 1r6p h ALA 8 Ca -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 1r6p h ALA 8 Cb 0.66 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1r6p h ALA 8 CO 0.03 0.72 -0.05 -0.24 0.00 0.00 0.00 179.25 179.71 1r6p h VAL 9 N -0.42 0.98 0.00 0.00 3.04 -1.50 -0.67 116.25 117.68 1r6p h VAL 9 Ca -0.27 -0.18 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1r6p h VAL 9 Cb 1.66 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1r6p h VAL 9 CO 0.04 0.05 -0.01 1.05 -1.01 0.00 0.00 177.57 177.68 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.60 -2.93 114.58 118.34 1r6p h GLU 10 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1r6p h GLU 10 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1r6p h GLU 10 CO 0.01 0.01 -0.65 1.96 0.07 0.00 0.00 179.01 180.42 1r6p h GLN 11 N 0.00 0.00 -6.64 1.06 4.20 -1.21 -3.47 115.11 109.05 1r6p h GLN 11 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1r6p h GLN 11 Cb 0.72 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.68 1r6p h GLN 11 CO 0.00 0.27 -0.26 1.28 -0.67 0.00 0.00 178.83 179.45 1r6p n LEU 12 N -3.05 1.56 -4.97 1.46 4.77 -1.09 -5.01 117.00 110.67 1r6p n LEU 12 Ca -0.00 0.71 -0.22 0.00 -0.03 0.00 0.00 56.01 56.47 1r6p n LEU 12 Cb 0.68 -1.24 0.05 0.00 -2.33 0.00 0.00 43.42 40.58 1r6p n LEU 12 CO 0.39 -2.77 0.40 0.42 -1.33 0.00 0.00 177.39 174.50 1r6p s THR 13 N -1.73 2.57 0.41 -5.08 -4.23 -1.26 -4.95 115.64 101.38 1r6p s THR 13 Ca 0.70 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 60.66 1r6p s THR 13 Cb -0.41 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 70.72 1r6p s THR 13 CO 0.53 0.00 2.02 -0.78 -0.54 0.00 0.00 174.62 175.85 1r6p h ASP 14 N -0.04 0.34 -0.58 3.99 3.58 -1.99 -1.55 116.42 120.16 1r6p h ASP 14 Ca -0.41 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 56.90 1r6p h ASP 14 Cb 1.29 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1r6p h ASP 14 CO 0.51 0.32 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.81 1r6p h GLU 15 N 0.38 1.06 0.08 0.28 5.08 -1.98 0.18 114.58 119.66 1r6p h GLU 15 Ca 0.10 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1r6p h GLU 15 Cb 0.10 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1r6p h GLU 15 CO -0.01 1.06 -0.04 0.37 -1.00 0.00 0.00 179.01 179.40 1r6p h GLN 16 N 0.95 -0.10 -0.47 2.33 5.75 -1.68 -0.70 115.11 121.20 1r6p h GLN 16 Ca 0.16 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1r6p h GLN 16 Cb 0.62 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1r6p h GLN 16 CO 0.04 -0.03 0.13 0.87 -2.65 0.00 0.00 178.83 177.20 1r6p h LYS 17 N -0.15 0.69 -0.08 1.69 1.57 -1.34 -2.00 116.57 116.94 1r6p h LYS 17 Ca -0.01 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1r6p h LYS 17 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1r6p h LYS 17 CO 0.02 0.62 -0.15 -0.91 -0.57 0.00 0.00 179.45 178.46 1r6p h ASN 18 N 0.68 0.12 -0.07 0.86 2.35 -0.44 0.23 115.58 119.32 1r6p h ASN 18 Ca 0.16 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1r6p h ASN 18 Cb 0.22 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1r6p h ASN 18 CO -0.01 0.29 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.61 1r6p h GLU 19 N 0.12 -0.16 0.14 0.81 5.08 -0.35 0.71 114.58 120.94 1r6p h GLU 19 Ca 0.03 0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.17 1r6p h GLU 19 Cb 0.34 0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.65 1r6p h GLU 19 CO 0.02 -0.11 -0.99 0.74 -1.00 0.00 0.00 179.01 177.67 1r6p h PHE 20 N -0.17 0.72 -0.84 4.33 -1.00 -1.57 -3.30 116.94 115.10 1r6p h PHE 20 Ca 0.07 -0.49 0.15 0.00 2.81 0.00 0.00 57.97 60.50 1r6p h PHE 20 Cb 0.26 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.72 1r6p h PHE 20 CO -0.21 1.37 0.55 -0.22 -1.61 0.00 0.00 178.31 178.18 1r6p h LYS 21 N -0.14 0.54 0.33 1.51 3.11 -0.44 0.65 116.57 122.13 1r6p h LYS 21 Ca -0.16 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.63 1r6p h LYS 21 Cb 1.75 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.86 1r6p h LYS 21 CO 0.19 0.36 -0.16 0.00 -2.81 0.00 0.00 179.45 177.03 1r6p h ALA 22 N 1.62 -0.45 -0.33 5.00 0.00 -0.93 0.28 119.26 124.44 1r6p h ALA 22 Ca 0.42 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1r6p h ALA 22 Cb 0.81 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1r6p h ALA 22 CO -0.17 -0.73 -0.16 0.00 0.00 0.00 0.00 179.25 178.19 1r6p h ALA 23 N 0.17 1.10 -0.35 0.00 0.00 -1.40 -2.87 119.26 115.91 1r6p h ALA 23 Ca -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1r6p h ALA 23 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1r6p h ALA 23 CO 0.07 0.56 0.18 0.35 0.00 0.00 0.00 179.25 180.42 1r6p h PHE 24 N 0.54 0.49 -0.58 0.00 3.04 0.58 -0.48 116.94 120.54 1r6p h PHE 24 Ca 0.09 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1r6p h PHE 24 Cb 0.59 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1r6p h PHE 24 CO 0.02 0.40 0.28 -0.44 -2.02 0.00 0.00 178.31 176.55 1r6p h ASP 25 N 0.44 0.73 0.36 0.41 5.19 -0.28 -0.13 116.42 123.14 1r6p h ASP 25 Ca 0.12 -0.07 -0.31 0.00 -0.62 0.00 0.00 57.03 56.15 1r6p h ASP 25 Cb 0.08 -0.19 0.03 0.00 0.18 0.00 0.00 39.33 39.43 1r6p h ASP 25 CO -0.02 0.63 -1.38 0.16 -3.12 0.00 0.00 179.24 175.51 1r6p h ILE 26 N 0.82 1.35 -0.13 0.35 3.07 -1.30 -1.88 117.51 119.78 1r6p h ILE 26 Ca 0.20 -2.77 -0.19 0.00 1.55 0.00 0.00 64.86 63.65 1r6p h ILE 26 Cb 0.09 2.97 -0.00 0.00 -0.27 0.00 0.00 36.82 39.61 1r6p h ILE 26 CO -0.03 0.83 -0.68 -0.26 -1.05 0.00 0.00 178.15 176.96 1r6p h PHE 27 N 0.14 0.74 -0.01 0.16 0.04 -0.96 -3.10 116.94 113.95 1r6p h PHE 27 Ca -0.21 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.25 1r6p h PHE 27 Cb 2.08 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 40.11 1r6p h PHE 27 CO 0.11 1.07 -0.28 0.44 -0.60 0.00 0.00 178.31 179.05 1r6p n ILE 28 N -3.90 0.00 -0.26 -0.55 -6.64 -0.07 -4.18 119.36 103.76 1r6p n ILE 28 Ca -0.05 -0.09 0.05 0.00 -1.77 0.00 0.00 62.75 60.89 1r6p n ILE 28 Cb 0.68 0.29 0.19 0.00 -1.44 0.00 0.00 39.64 39.36 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 0.87 0.44 -0.67 6.28 4.15 -1.25 0.57 115.11 125.50 1r6p h GLN 29 Ca 0.00 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 1r6p h GLN 29 Cb 0.49 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.00 1r6p h GLN 29 CO 0.00 0.29 0.16 -0.25 -1.93 0.00 0.00 178.83 177.10 1r6p n ASP 30 N -4.99 5.17 -4.92 -0.69 9.92 -1.26 -4.96 116.55 114.82 1r6p n ASP 30 Ca 0.14 -3.12 -0.30 0.00 -0.53 0.00 0.00 54.79 50.99 1r6p n ASP 30 Cb 0.41 -0.72 -0.04 0.00 -0.64 0.00 0.00 41.12 40.14 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 -2.91 3.98 -0.62 2.24 0.00 0.19 -5.02 121.76 119.62 1r6p s ALA 31 Ca 0.55 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1r6p s ALA 31 Cb 0.43 -1.85 0.41 0.00 0.00 0.00 0.00 23.12 22.12 1r6p s ALA 31 CO 0.14 0.73 1.71 0.39 0.00 0.00 0.00 175.76 178.74 1r6p n GLU 32 N 0.03 3.01 0.00 0.00 1.02 -1.26 -4.53 120.64 118.91 1r6p n GLU 32 Ca -0.05 -3.74 0.00 0.00 -0.02 0.00 0.00 57.16 53.34 1r6p n GLU 32 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 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 -0.68 0.00 0.00 1.62 2.03 -1.26 -5.06 116.55 113.19 1r6p n ASP 33 Ca 0.52 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1r6p n ASP 33 Cb 0.58 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 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 -1.42 0.98 3.16 0.27 0.00 -1.26 -5.14 105.19 101.77 1r6p n GLY 34 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.20 3.08 -0.45 0.00 -5.25 -0.57 -4.51 121.20 112.30 1r6p s ILE 36 Ca -0.13 0.26 -0.25 0.00 -0.99 0.00 0.00 60.65 59.55 1r6p s ILE 36 Cb -0.06 -3.33 0.03 0.00 2.95 0.00 0.00 42.46 42.04 1r6p s ILE 36 CO 0.02 -0.42 0.89 -0.55 -1.79 0.00 0.00 174.94 173.09 1r6p s SER 37 N -4.41 6.49 0.29 4.36 0.15 -1.26 -1.52 113.70 117.79 1r6p s SER 37 Ca 0.59 0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.34 1r6p s SER 37 Cb -0.11 -2.43 0.59 0.00 -1.71 0.00 0.00 66.02 62.36 1r6p s SER 37 CO 0.50 -1.00 1.84 0.71 1.20 0.00 0.00 173.24 176.48 1r6p h THR 38 N 6.04 0.90 -0.26 6.45 1.35 -1.86 0.21 112.91 125.74 1r6p h THR 38 Ca -0.24 -0.33 0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1r6p h THR 38 Cb 1.08 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 1r6p h THR 38 CO 1.01 0.17 0.18 0.07 -0.25 0.00 0.00 175.52 176.70 1r6p h LYS 39 N 0.95 0.25 -0.83 4.72 2.10 -1.91 -0.62 116.57 121.23 1r6p h LYS 39 Ca 0.50 -0.02 -0.42 0.00 -2.00 0.00 0.00 60.65 58.72 1r6p h LYS 39 Cb 0.54 -0.06 -0.25 0.00 -0.90 0.00 0.00 32.23 31.56 1r6p h LYS 39 CO -0.27 0.17 0.46 0.39 -2.00 0.00 0.00 179.45 178.20 1r6p n GLU 40 N -4.50 2.30 -0.14 0.07 1.02 0.70 -4.61 120.64 115.48 1r6p n GLU 40 Ca 0.02 -3.06 0.10 0.00 -0.02 0.00 0.00 57.16 54.21 1r6p n GLU 40 Cb 0.14 -2.10 0.44 0.00 -0.02 0.00 0.00 31.44 29.90 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r6p h LEU 41 N 1.15 0.50 -1.79 -4.62 7.12 -0.50 0.09 115.31 117.26 1r6p h LEU 41 Ca 0.51 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.60 1r6p h LEU 41 Cb 2.56 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 42.58 1r6p h LEU 41 CO 0.92 0.30 0.27 1.23 -0.13 0.00 0.00 178.44 181.02 1r6p h GLY 42 N 0.56 0.32 2.00 3.75 0.00 -1.83 0.16 103.07 108.02 1r6p h GLY 42 Ca 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1r6p h GLY 42 CO -0.10 0.08 -0.17 0.50 0.00 0.00 0.00 176.54 176.84 1r6p h LYS 43 N 0.25 0.00 0.05 4.80 1.57 -1.34 -1.76 116.57 120.14 1r6p h LYS 43 Ca 0.17 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.61 1r6p h LYS 43 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1r6p h LYS 43 CO -0.03 0.17 -1.98 1.33 -0.57 0.00 0.00 179.45 178.37 1r6p n VAL 44 N -3.94 1.64 -0.36 0.50 0.24 0.13 -4.08 118.33 112.48 1r6p n VAL 44 Ca -0.02 -0.72 0.01 0.00 -2.04 0.00 0.00 64.34 61.56 1r6p n VAL 44 Cb 0.26 -1.29 0.16 0.00 -1.47 0.00 0.00 33.84 31.50 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1r6p h MET 45 N 0.03 1.20 -0.46 7.34 2.86 -0.52 -0.80 114.93 124.58 1r6p h MET 45 Ca -0.40 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1r6p h MET 45 Cb 2.04 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 33.40 1r6p h MET 45 CO 0.06 0.79 0.28 0.07 1.06 0.00 0.00 176.91 179.18 1r6p h ARG 46 N 1.23 0.61 -0.15 1.72 0.11 -0.09 0.28 114.38 118.10 1r6p h ARG 46 Ca 0.39 -0.05 -0.10 0.00 0.10 0.00 0.00 59.98 60.33 1r6p h ARG 46 Cb 0.01 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 30.94 1r6p h ARG 46 CO -0.12 0.43 -0.33 0.52 0.10 0.00 0.00 179.97 180.56 1r6p h MET 47 N 0.63 0.31 -0.03 0.08 2.86 -1.31 -2.72 114.93 114.75 1r6p h MET 47 Ca 0.17 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 1r6p h MET 47 Cb -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1r6p h MET 47 CO -0.03 0.61 -0.74 -0.07 1.06 0.00 0.00 176.91 177.74 1r6p h LEU 48 N 0.27 0.23 0.00 1.22 -0.00 -0.48 -3.47 115.31 113.07 1r6p h LEU 48 Ca 0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1r6p h LEU 48 Cb 0.72 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1r6p h LEU 48 CO 0.06 0.89 0.00 0.61 -0.00 0.00 0.00 178.44 179.99 1r6p n GLY 49 N 0.57 1.82 3.38 0.83 0.00 -0.08 -5.11 105.19 106.60 1r6p n GLY 49 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.17 -0.35 1.61 -2.07 -0.28 -4.99 119.66 114.75 1r6p s GLN 50 Ca 0.00 -0.74 0.03 0.00 -1.82 0.00 0.00 55.36 52.83 1r6p s GLN 50 Cb 0.00 0.49 0.15 0.00 -1.09 0.00 0.00 33.01 32.57 1r6p s GLN 50 CO 0.00 -0.47 0.38 1.21 -1.32 0.00 0.00 175.29 175.09 1r6p s ASN 51 N -2.82 1.04 0.00 12.60 3.84 -1.26 -0.84 114.94 127.50 1r6p s ASN 51 Ca 0.05 -1.31 0.00 0.00 0.21 0.00 0.00 52.86 51.80 1r6p s ASN 51 Cb 0.01 0.67 0.00 0.00 -0.55 0.00 0.00 41.25 41.38 1r6p s ASN 51 CO -0.10 -0.28 0.00 -0.81 -2.79 0.00 0.00 177.10 173.12 1r6p n PRO 52 N 4.51 1.35 -3.27 0.43 -0.04 -1.26 -5.09 135.00 131.63 1r6p n PRO 52 Ca 0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 1r6p n PRO 52 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 2.64 0.21 0.52 -4.23 -1.26 -4.95 115.64 108.92 1r6p s THR 53 Ca 0.00 -1.15 0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1r6p s THR 53 Cb 0.00 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.17 1r6p s THR 53 CO 0.00 0.00 1.74 1.55 -0.54 0.00 0.00 174.62 177.37 1r6p h PRO 54 N 0.70 0.00 0.11 3.99 0.13 -1.99 -1.19 132.00 133.75 1r6p h PRO 54 Ca -0.38 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.49 0.39 -1.28 0.93 -0.23 0.00 0.00 178.00 178.30 1r6p h GLU 55 N 0.00 0.24 -0.05 0.86 4.39 -1.99 -2.87 114.58 115.16 1r6p h GLU 55 Ca -0.00 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.26 1r6p h GLU 55 Cb 0.87 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1r6p h GLU 55 CO 0.05 1.17 -0.07 1.49 -1.16 0.00 0.00 179.01 180.49 1r6p h GLU 56 N 0.07 0.13 -0.53 2.33 4.81 -1.92 -2.50 114.58 116.96 1r6p h GLU 56 Ca -0.15 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1r6p h GLU 56 Cb 1.96 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.33 1r6p h GLU 56 CO 0.19 0.64 0.20 1.37 -0.73 0.00 0.00 179.01 180.68 1r6p h LEU 57 N -0.36 0.70 -1.00 1.64 8.10 -1.35 -2.13 115.31 120.92 1r6p h LEU 57 Ca 0.00 -0.09 -0.07 0.00 0.11 0.00 0.00 57.88 57.83 1r6p h LEU 57 Cb 0.62 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 1r6p h LEU 57 CO 0.02 0.64 -0.07 1.56 -4.11 0.00 0.00 178.44 176.47 1r6p h GLN 58 N 0.76 0.64 -0.56 0.17 1.08 -1.50 -0.10 115.11 115.59 1r6p h GLN 58 Ca 0.18 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1r6p h GLN 58 Cb 0.17 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1r6p h GLN 58 CO -0.02 0.71 -0.05 0.93 -0.95 0.00 0.00 178.83 179.46 1r6p h GLU 59 N 0.59 1.02 -0.20 1.46 4.39 -0.93 0.21 114.58 121.12 1r6p h GLU 59 Ca 0.11 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.39 1r6p h GLU 59 Cb 0.49 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1r6p h GLU 59 CO 0.03 1.03 -0.21 0.52 -1.16 0.00 0.00 179.01 179.22 1r6p h MET 60 N 0.92 0.49 -0.07 2.33 2.86 -1.11 -2.83 114.93 117.52 1r6p h MET 60 Ca 0.15 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1r6p h MET 60 Cb 0.60 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1r6p h MET 60 CO 0.04 0.84 0.02 0.82 1.06 0.00 0.00 176.91 179.69 1r6p h ILE 61 N 0.16 1.18 -0.90 -1.22 2.04 -0.93 -1.55 117.51 116.29 1r6p h ILE 61 Ca 0.03 -0.54 0.19 0.00 1.00 0.00 0.00 64.86 65.54 1r6p h ILE 61 Cb 0.75 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.18 1r6p h ILE 61 CO 0.05 0.15 0.59 -0.78 0.00 0.00 0.00 178.15 178.16 1r6p h ASP 62 N -0.09 0.46 0.11 1.72 3.58 -0.62 0.69 116.42 122.28 1r6p h ASP 62 Ca 0.02 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1r6p h ASP 62 Cb 0.22 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1r6p h ASP 62 CO -0.00 0.19 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.17 1r6p h GLU 63 N 0.46 -0.14 -0.53 0.28 5.08 -1.23 -3.34 114.58 115.16 1r6p h GLU 63 Ca 0.47 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.75 1r6p h GLU 63 Cb 1.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1r6p h GLU 63 CO -0.19 0.35 -0.02 -0.24 -1.00 0.00 0.00 179.01 177.91 1r6p h VAL 64 N -0.87 1.26 -2.80 3.13 3.04 -0.78 -3.40 116.25 115.83 1r6p h VAL 64 Ca -0.01 -1.10 -0.55 0.00 -1.01 0.00 0.00 66.70 64.02 1r6p h VAL 64 Cb 0.56 0.86 -0.05 0.00 -2.01 0.00 0.00 31.29 30.65 1r6p h VAL 64 CO 0.02 0.39 1.16 -0.62 -1.01 0.00 0.00 177.57 177.52 1r6p s ASP 65 N -6.62 6.02 0.08 3.17 -1.08 0.24 -4.86 116.67 113.61 1r6p s ASP 65 Ca -0.10 0.65 -0.17 0.00 -0.52 0.00 0.00 52.55 52.41 1r6p s ASP 65 Cb 0.14 -2.54 -0.10 0.00 -1.46 0.00 0.00 42.92 38.96 1r6p s ASP 65 CO 0.83 -1.73 1.41 -0.33 0.52 0.00 0.00 175.17 175.88 1r6p h GLU 66 N 11.89 0.58 0.19 4.34 4.39 -1.84 -3.28 114.58 130.86 1r6p h GLU 66 Ca -0.28 -0.30 -0.32 0.00 0.34 0.00 0.00 59.36 58.80 1r6p h GLU 66 Cb 1.12 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1r6p h GLU 66 CO 1.13 0.88 -1.45 0.38 -1.16 0.00 0.00 179.01 178.79 1r6p h ASP 67 N 0.30 0.64 -3.28 1.42 2.03 -1.95 -3.49 116.42 112.09 1r6p h ASP 67 Ca 0.04 -0.73 -0.12 0.00 -0.73 0.00 0.00 57.03 55.49 1r6p h ASP 67 Cb 0.76 -0.21 0.06 0.00 -0.83 0.00 0.00 39.33 39.11 1r6p h ASP 67 CO 0.05 1.58 -0.28 0.61 -1.03 0.00 0.00 179.24 180.18 1r6p n GLY 68 N 1.67 0.17 0.05 7.15 0.00 -1.24 -4.94 105.19 108.06 1r6p n GLY 68 Ca -0.15 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.61 0.21 0.00 1.61 3.41 -1.26 -4.89 113.62 111.09 1r6p n SER 69 Ca -0.09 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1r6p n SER 69 Cb 0.56 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.23 0.52 2.98 5.00 0.00 -1.26 -5.04 105.19 108.62 1r6p n GLY 70 Ca 0.16 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 -0.03 -0.22 2.61 -4.23 -1.26 -2.75 115.64 107.76 1r6p s THR 71 Ca 0.00 0.11 -0.19 0.00 -1.18 0.00 0.00 61.69 60.43 1r6p s THR 71 Cb 0.00 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 1r6p s THR 71 CO 0.00 0.04 0.55 -0.69 -0.54 0.00 0.00 174.62 173.99 1r6p s VAL 72 N 0.76 5.06 0.64 2.29 1.01 -0.57 -4.85 120.40 124.75 1r6p s VAL 72 Ca -0.06 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.85 1r6p s VAL 72 Cb -0.07 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1r6p s VAL 72 CO -0.04 0.12 0.98 -1.81 0.00 0.00 0.00 175.10 174.35 1r6p s ASP 73 N 1.30 5.44 0.43 3.32 1.01 -1.26 -1.50 116.67 125.40 1r6p s ASP 73 Ca 0.24 0.81 0.08 0.00 0.71 0.00 0.00 52.55 54.40 1r6p s ASP 73 Cb -0.16 -1.70 0.92 0.00 1.01 0.00 0.00 42.92 43.00 1r6p s ASP 73 CO 0.09 -1.22 2.07 0.15 0.21 0.00 0.00 175.17 176.48 1r6p h PHE 74 N -0.38 0.44 -0.37 4.23 3.57 -1.98 0.74 116.94 123.20 1r6p h PHE 74 Ca -0.45 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 1r6p h PHE 74 Cb 1.26 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1r6p h PHE 74 CO 0.46 0.28 -0.10 0.22 -2.23 0.00 0.00 178.31 176.94 1r6p h ASP 75 N 0.47 0.73 0.71 0.41 1.82 -1.99 -1.44 116.42 117.13 1r6p h ASP 75 Ca 0.13 -0.37 -0.12 0.00 -0.39 0.00 0.00 57.03 56.28 1r6p h ASP 75 Cb -0.04 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.75 1r6p h ASP 75 CO -0.03 0.93 -0.56 -0.33 -1.61 0.00 0.00 179.24 177.64 1r6p h GLU 76 N 0.52 0.00 0.20 0.28 5.08 -1.66 -1.54 114.58 117.46 1r6p h GLU 76 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1r6p h GLU 76 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1r6p h GLU 76 CO 0.04 0.56 -0.10 0.35 -1.00 0.00 0.00 179.01 178.86 1r6p h PHE 77 N 0.00 -0.25 -0.21 4.33 3.57 0.72 -0.82 116.94 124.28 1r6p h PHE 77 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1r6p h PHE 77 Cb 1.07 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1r6p h PHE 77 CO 0.00 0.06 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.71 1r6p h LEU 78 N -0.57 0.48 -0.19 0.59 4.07 -1.30 -3.06 115.31 115.33 1r6p h LEU 78 Ca -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 1r6p h LEU 78 Cb 0.42 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1r6p h LEU 78 CO 0.05 0.81 0.10 0.58 -1.08 0.00 0.00 178.44 178.89 1r6p h VAL 79 N 0.39 1.12 -0.94 1.22 2.07 -1.24 -2.31 116.25 116.56 1r6p h VAL 79 Ca 0.04 -0.33 0.27 0.00 0.82 0.00 0.00 66.70 67.50 1r6p h VAL 79 Cb 0.82 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1r6p h VAL 79 CO 0.07 0.11 0.87 -0.03 0.02 0.00 0.00 177.57 178.61 1r6p h MET 80 N 0.19 0.00 0.38 1.57 -1.53 -1.03 0.62 114.93 115.12 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 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.15 1r6p h MET 80 CO -0.01 0.00 -0.18 1.98 0.14 0.00 0.00 176.91 178.84 1r6p h MET 81 N 0.00 -0.49 0.00 0.39 -1.53 -1.48 0.11 114.93 111.93 1r6p h MET 81 Ca 0.44 0.03 -0.11 0.00 -3.44 0.00 0.00 59.70 56.63 1r6p h MET 81 Cb 2.18 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 33.33 1r6p h MET 81 CO -0.00 -0.26 -0.51 -0.39 0.14 0.00 0.00 176.91 175.89 1r6p h VAL 82 N -0.63 1.24 -0.54 -5.77 -1.51 -1.07 -2.12 116.25 105.85 1r6p h VAL 82 Ca -0.05 -1.83 -0.09 0.00 -1.23 0.00 0.00 66.70 63.50 1r6p h VAL 82 Cb 0.46 2.02 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 1r6p h VAL 82 CO 0.09 0.50 0.00 0.03 -1.23 0.00 0.00 177.57 176.96 1r6p h ARG 83 N 0.00 0.96 -0.30 5.19 2.47 -0.89 0.80 114.38 122.60 1r6p h ARG 83 Ca -0.01 -0.30 -0.14 0.00 -1.26 0.00 0.00 59.98 58.27 1r6p h ARG 83 Cb 0.98 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1r6p h ARG 83 CO 0.07 0.96 -0.36 0.00 0.56 0.00 0.00 179.97 181.20 1r6p h MET 85 N 0.54 0.27 -0.91 0.00 2.86 -1.26 -3.50 114.93 112.93 1r6p h MET 85 Ca 0.04 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1r6p h MET 85 Cb 0.94 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1r6p h MET 85 CO 0.09 0.80 -0.22 1.17 1.06 0.00 0.00 176.91 179.82 1r6p n LYS 86 N -3.87 -1.14 -0.22 1.72 0.00 0.28 -4.79 118.16 110.13 1r6p n LYS 86 Ca -0.03 0.83 0.01 0.00 0.00 0.00 0.00 58.31 59.13 1r6p n LYS 86 Cb 0.63 -0.93 0.25 0.00 0.00 0.00 0.00 35.03 34.99 1r6p n LYS 86 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1r6p h ASP 87 N 0.58 0.85 0.00 3.14 2.03 -1.89 -3.44 116.42 117.68 1r6p h ASP 87 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1r6p h ASP 87 Cb 0.00 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.29 1r6p h ASP 87 CO 0.00 0.61 0.00 -0.67 -1.03 0.00 0.00 179.24 178.15 1r6p n ASP 88 N -4.43 -3.22 0.00 4.15 -0.08 -1.26 -5.19 116.55 106.51 1r6p n ASP 88 Ca 0.09 0.77 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1r6p n ASP 88 Cb 0.06 3.06 0.00 0.00 2.34 0.00 0.00 41.12 46.59 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08