#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 -5.56 0.17 6.12 5.03 -1.26 -4.87 115.26 114.88 1r6p n ASN 2 Ca 0.00 -0.54 0.03 0.00 0.87 0.00 0.00 54.58 54.94 1r6p n ASN 2 Cb 0.00 -4.44 0.26 0.00 -1.02 0.00 0.00 39.78 34.59 1r6p n ASN 2 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1r6p h ASP 3 N -2.01 0.00 0.22 6.41 2.03 -2.01 -2.99 116.42 118.08 1r6p h ASP 3 Ca -0.55 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.68 1r6p h ASP 3 Cb 1.36 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.85 1r6p h ASP 3 CO 0.60 0.48 -0.30 0.16 -1.03 0.00 0.00 179.24 179.15 1r6p h ILE 4 N 0.00 1.24 -0.76 4.15 -0.00 -1.99 -1.68 117.51 118.48 1r6p h ILE 4 Ca -0.00 -1.15 -0.05 0.00 -0.00 0.00 0.00 64.86 63.65 1r6p h ILE 4 Cb 0.98 1.53 -0.03 0.00 -0.00 0.00 0.00 36.82 39.29 1r6p h ILE 4 CO 0.06 0.34 0.26 1.88 -0.00 0.00 0.00 178.15 180.69 1r6p h TYR 5 N 0.11 1.19 -0.08 0.16 -1.99 -1.92 -1.27 116.97 113.18 1r6p h TYR 5 Ca 0.02 -0.11 -0.17 0.00 2.00 0.00 0.00 58.73 60.47 1r6p h TYR 5 Cb 0.59 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1r6p h TYR 5 CO 0.01 0.92 -0.69 -0.22 -0.00 0.00 0.00 178.16 178.17 1r6p h LYS 6 N 1.12 0.37 0.00 4.88 3.64 -1.55 -2.46 116.57 122.56 1r6p h LYS 6 Ca 0.25 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1r6p h LYS 6 Cb 0.27 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1r6p h LYS 6 CO -0.01 0.92 -0.26 0.00 -2.27 0.00 0.00 179.45 177.83 1r6p h ALA 7 N 1.00 1.34 0.13 5.00 0.00 -0.86 -1.13 119.26 124.74 1r6p h ALA 7 Ca -0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 1r6p h ALA 7 Cb 1.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1r6p h ALA 7 CO 0.12 0.32 -0.92 0.00 0.00 0.00 0.00 179.25 178.77 1r6p h ALA 8 N 1.74 -0.02 0.00 0.00 0.00 -1.12 -2.97 119.26 116.89 1r6p h ALA 8 Ca -0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.05 1r6p h ALA 8 Cb 0.54 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1r6p h ALA 8 CO 0.03 0.47 -0.36 -0.24 0.00 0.00 0.00 179.25 179.15 1r6p h VAL 9 N -0.40 1.22 0.00 0.00 3.04 -1.36 -2.48 116.25 116.27 1r6p h VAL 9 Ca -0.18 -1.25 -0.02 0.00 -1.01 0.00 0.00 66.70 64.25 1r6p h VAL 9 Cb 1.64 1.68 -0.00 0.00 -2.01 0.00 0.00 31.29 32.59 1r6p h VAL 9 CO 0.12 0.35 -0.10 1.05 -1.01 0.00 0.00 177.57 177.98 1r6p h GLU 10 N 0.00 0.00 -0.31 4.17 4.11 -1.31 -3.17 114.58 118.07 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1r6p h GLU 10 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1r6p h GLU 10 CO 0.05 0.10 0.00 0.00 0.07 0.00 0.00 179.01 179.23 1r6p n GLN 11 N -3.13 2.20 -1.26 1.06 10.64 -0.96 -4.96 117.38 120.97 1r6p n GLN 11 Ca 0.04 -1.81 -0.29 0.00 -1.83 0.00 0.00 57.00 53.10 1r6p n GLN 11 Cb 0.57 -1.46 0.19 0.00 -0.86 0.00 0.00 30.24 28.68 1r6p n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1r6p s LEU 12 N -1.50 1.44 0.66 2.61 1.43 -1.06 -5.07 118.68 117.20 1r6p s LEU 12 Ca 0.36 0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1r6p s LEU 12 Cb 0.20 -2.94 0.09 0.00 0.03 0.00 0.00 46.19 43.57 1r6p s LEU 12 CO 0.29 -3.33 0.91 0.42 0.23 0.00 0.00 176.35 174.87 1r6p s THR 13 N -3.10 2.34 0.32 5.49 -4.23 -1.26 -4.96 115.64 110.23 1r6p s THR 13 Ca 0.67 -0.60 0.10 0.00 -1.18 0.00 0.00 61.69 60.68 1r6p s THR 13 Cb -0.14 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 71.00 1r6p s THR 13 CO 0.56 0.00 1.72 0.44 -0.54 0.00 0.00 174.62 176.80 1r6p h ASP 14 N -0.31 0.08 0.33 3.99 5.19 -2.00 -2.41 116.42 121.30 1r6p h ASP 14 Ca -0.39 -0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 55.86 1r6p h ASP 14 Cb 1.28 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1r6p h ASP 14 CO 0.46 0.54 -0.53 1.05 -3.12 0.00 0.00 179.24 177.64 1r6p h GLU 15 N 0.06 0.21 0.07 3.56 4.11 -1.97 -1.40 114.58 119.22 1r6p h GLU 15 Ca 0.00 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 1r6p h GLU 15 Cb 0.85 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1r6p h GLU 15 CO 0.06 0.69 -0.03 0.37 0.07 0.00 0.00 179.01 180.17 1r6p h GLN 16 N 0.17 -0.08 -0.66 1.06 5.75 -1.85 0.81 115.11 120.29 1r6p h GLN 16 Ca 0.00 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1r6p h GLN 16 Cb 0.99 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 1r6p h GLN 16 CO 0.08 0.37 0.41 0.87 -2.65 0.00 0.00 178.83 177.92 1r6p h LYS 17 N -0.58 0.89 0.00 1.69 1.57 -1.46 -1.65 116.57 117.03 1r6p h LYS 17 Ca -0.01 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1r6p h LYS 17 Cb 0.50 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1r6p h LYS 17 CO 0.01 0.62 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.45 1r6p h ASN 18 N 0.90 0.00 -0.19 0.86 2.35 -1.27 -2.26 115.58 115.97 1r6p h ASN 18 Ca 0.24 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1r6p h ASN 18 Cb -0.05 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 1r6p h ASN 18 CO -0.05 0.16 -0.05 -0.08 -1.65 0.00 0.00 177.43 175.76 1r6p h GLU 19 N 0.00 -0.01 0.06 0.81 4.81 0.18 0.33 114.58 120.76 1r6p h GLU 19 Ca -0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1r6p h GLU 19 Cb 0.65 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.05 1r6p h GLU 19 CO 0.02 -0.01 -0.66 0.74 -0.73 0.00 0.00 179.01 178.37 1r6p h PHE 20 N -0.01 0.54 -0.93 0.92 -1.00 -1.55 -3.29 116.94 111.62 1r6p h PHE 20 Ca 0.10 -0.34 0.15 0.00 2.81 0.00 0.00 57.97 60.69 1r6p h PHE 20 Cb 0.15 -0.04 -0.08 0.00 3.61 0.00 0.00 35.95 39.59 1r6p h PHE 20 CO -0.22 1.21 0.60 -0.22 -1.61 0.00 0.00 178.31 178.06 1r6p h LYS 21 N -0.27 0.70 0.03 1.51 3.64 -1.26 0.23 116.57 121.15 1r6p h LYS 21 Ca -0.10 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1r6p h LYS 21 Cb 1.44 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1r6p h LYS 21 CO 0.13 0.47 -0.13 0.00 -2.27 0.00 0.00 179.45 177.65 1r6p h ALA 22 N 1.60 -0.17 -0.24 5.00 0.00 -0.42 0.24 119.26 125.26 1r6p h ALA 22 Ca 0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1r6p h ALA 22 Cb 0.77 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1r6p h ALA 22 CO -0.24 -0.63 -0.10 0.00 0.00 0.00 0.00 179.25 178.28 1r6p h ALA 23 N 0.70 1.39 -0.67 0.00 0.00 -1.31 -2.46 119.26 116.90 1r6p h ALA 23 Ca 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1r6p h ALA 23 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1r6p h ALA 23 CO -0.10 0.42 0.28 0.35 0.00 0.00 0.00 179.25 180.20 1r6p h PHE 24 N 0.37 1.00 -0.57 0.00 3.04 0.46 -1.59 116.94 119.64 1r6p h PHE 24 Ca 0.07 -0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 1r6p h PHE 24 Cb 0.40 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1r6p h PHE 24 CO 0.01 0.77 -0.04 -0.44 -2.02 0.00 0.00 178.31 176.60 1r6p h ASP 25 N 0.94 1.03 -0.36 0.41 3.32 -0.13 0.61 116.42 122.23 1r6p h ASP 25 Ca 0.22 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 1r6p h ASP 25 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1r6p h ASP 25 CO -0.02 1.10 -0.37 0.16 -1.72 0.00 0.00 179.24 178.39 1r6p h ILE 26 N 0.93 1.28 0.16 0.35 3.07 -1.31 -1.34 117.51 120.65 1r6p h ILE 26 Ca 0.16 -1.55 -0.27 0.00 1.55 0.00 0.00 64.86 64.75 1r6p h ILE 26 Cb 0.60 1.43 0.03 0.00 -0.27 0.00 0.00 36.82 38.61 1r6p h ILE 26 CO 0.04 0.51 -1.17 -0.26 -1.05 0.00 0.00 178.15 176.22 1r6p h PHE 27 N 0.70 0.86 -2.42 0.16 0.04 -1.26 -3.35 116.94 111.66 1r6p h PHE 27 Ca 0.06 -0.59 -0.71 0.00 2.80 0.00 0.00 57.97 59.53 1r6p h PHE 27 Cb 0.97 -0.05 -0.35 0.00 2.20 0.00 0.00 35.95 38.72 1r6p h PHE 27 CO 0.07 1.44 0.17 -0.89 -0.60 0.00 0.00 178.31 178.50 1r6p n ILE 28 N -3.89 4.26 -0.07 -0.55 2.08 0.21 -4.79 119.36 116.62 1r6p n ILE 28 Ca -0.15 -5.69 -0.13 0.00 0.56 0.00 0.00 62.75 57.34 1r6p n ILE 28 Cb 0.96 -1.80 -0.10 0.00 -0.75 0.00 0.00 39.64 37.95 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1r6p h GLN 29 N 4.25 0.00 -0.59 0.38 5.75 -1.38 -3.39 115.11 120.12 1r6p h GLN 29 Ca 0.27 0.00 -0.42 0.00 -0.15 0.00 0.00 58.65 58.35 1r6p h GLN 29 Cb 0.53 0.00 -0.30 0.00 1.07 0.00 0.00 27.48 28.78 1r6p h GLN 29 CO 1.05 0.78 -0.48 -0.40 -2.65 0.00 0.00 178.83 177.14 1r6p n ASP 30 N -4.61 4.32 -4.86 -0.69 5.75 -1.26 -5.05 116.55 110.16 1r6p n ASP 30 Ca -0.12 -3.79 -0.31 0.00 -0.01 0.00 0.00 54.79 50.56 1r6p n ASP 30 Cb 0.43 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r6p s ALA 31 N -3.52 3.26 -0.36 2.12 0.00 -1.26 -5.00 121.76 117.00 1r6p s ALA 31 Ca 0.49 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1r6p s ALA 31 Cb 0.41 -2.83 0.45 0.00 0.00 0.00 0.00 23.12 21.15 1r6p s ALA 31 CO 0.01 -0.03 1.26 0.39 0.00 0.00 0.00 175.76 177.39 1r6p n GLU 32 N -1.26 3.49 0.00 0.00 -0.58 -1.26 -4.69 120.64 116.34 1r6p n GLU 32 Ca 0.04 -4.16 0.00 0.00 -0.42 0.00 0.00 57.16 52.62 1r6p n GLU 32 Cb 0.54 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.13 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1r6p n ASP 33 N -0.67 0.00 -0.05 1.62 -0.08 -1.26 -5.08 116.55 111.03 1r6p n ASP 33 Ca 0.45 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1r6p n ASP 33 Cb 0.86 0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.44 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r6p n GLY 34 N 0.69 0.79 3.47 0.27 0.00 -1.26 -5.12 105.19 104.03 1r6p n GLY 34 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 1.14 1.97 -0.39 0.00 -5.25 0.64 -4.71 121.20 114.60 1r6p s ILE 36 Ca -0.07 0.00 -0.20 0.00 -0.99 0.00 0.00 60.65 59.39 1r6p s ILE 36 Cb -0.06 -2.96 0.01 0.00 2.95 0.00 0.00 42.46 42.40 1r6p s ILE 36 CO -0.11 0.00 0.62 -0.55 -1.79 0.00 0.00 174.94 173.11 1r6p s SER 37 N -4.80 6.37 0.27 4.36 0.15 -1.26 -1.48 113.70 117.31 1r6p s SER 37 Ca 0.73 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 57.31 1r6p s SER 37 Cb -0.05 -2.32 0.48 0.00 -1.71 0.00 0.00 66.02 62.43 1r6p s SER 37 CO 0.53 -0.65 1.84 0.71 1.20 0.00 0.00 173.24 176.87 1r6p h THR 38 N 5.75 0.97 -0.01 6.45 1.35 -1.82 0.23 112.91 125.82 1r6p h THR 38 Ca -0.26 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1r6p h THR 38 Cb 1.11 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1r6p h THR 38 CO 0.85 0.19 0.00 0.07 -0.25 0.00 0.00 175.52 176.38 1r6p h LYS 39 N 1.01 0.01 -0.65 4.72 2.10 -1.92 0.04 116.57 121.88 1r6p h LYS 39 Ca 0.46 -0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.98 1r6p h LYS 39 Cb 0.38 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.63 1r6p h LYS 39 CO -0.24 0.01 0.15 0.39 -2.00 0.00 0.00 179.45 177.77 1r6p n GLU 40 N -4.54 4.05 0.18 0.07 1.02 0.71 -4.51 120.64 117.63 1r6p n GLU 40 Ca -0.03 -3.11 0.07 0.00 -0.02 0.00 0.00 57.16 54.07 1r6p n GLU 40 Cb 0.09 -2.21 0.59 0.00 -0.02 0.00 0.00 31.44 29.89 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 3.04 0.12 -1.29 -4.62 7.12 -0.03 -1.49 115.31 118.17 1r6p h LEU 41 Ca 0.16 -0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.21 1r6p h LEU 41 Cb 2.15 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 42.20 1r6p h LEU 41 CO 0.62 0.09 0.51 1.23 -0.13 0.00 0.00 178.44 180.75 1r6p h GLY 42 N 0.14 1.08 1.46 3.75 0.00 -1.81 0.49 103.07 108.18 1r6p h GLY 42 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1r6p h GLY 42 CO -0.01 0.29 0.24 1.70 0.00 0.00 0.00 176.54 178.76 1r6p h LYS 43 N 0.90 0.71 0.08 4.80 3.64 -1.62 -0.77 116.57 124.31 1r6p h LYS 43 Ca 0.32 -0.08 -0.28 0.00 -1.27 0.00 0.00 60.65 59.34 1r6p h LYS 43 Cb 0.14 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1r6p h LYS 43 CO -0.10 0.55 -1.42 -0.39 -2.27 0.00 0.00 179.45 175.82 1r6p h VAL 44 N 0.71 1.26 -0.33 2.00 -1.51 -1.22 -3.29 116.25 113.87 1r6p h VAL 44 Ca 0.18 -2.93 -0.01 0.00 -1.23 0.00 0.00 66.70 62.70 1r6p h VAL 44 Cb 0.08 2.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.98 1r6p h VAL 44 CO -0.02 0.82 0.14 -0.03 -1.23 0.00 0.00 177.57 177.25 1r6p h MET 45 N 0.05 0.45 -0.76 5.19 -1.53 0.44 -1.39 114.93 117.38 1r6p h MET 45 Ca -0.19 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.00 1r6p h MET 45 Cb 1.96 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 32.89 1r6p h MET 45 CO 0.15 0.37 0.40 0.00 0.14 0.00 0.00 176.91 177.97 1r6p h ARG 46 N 0.46 1.07 -0.29 0.39 3.08 -0.02 0.76 114.38 119.83 1r6p h ARG 46 Ca 0.12 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1r6p h ARG 46 Cb 0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1r6p h ARG 46 CO -0.01 0.80 -0.20 0.52 -1.07 0.00 0.00 179.97 180.00 1r6p h MET 47 N 1.07 0.54 -0.20 0.04 2.86 -1.38 -2.47 114.93 115.39 1r6p h MET 47 Ca 0.27 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1r6p h MET 47 Cb 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1r6p h MET 47 CO -0.04 0.72 -0.25 -0.07 1.06 0.00 0.00 176.91 178.32 1r6p h LEU 48 N 0.49 0.36 0.00 1.22 4.07 -0.71 -3.46 115.31 117.27 1r6p h LEU 48 Ca 0.08 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1r6p h LEU 48 Cb 0.62 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1r6p h LEU 48 CO 0.04 0.62 0.00 0.61 -1.08 0.00 0.00 178.44 178.63 1r6p n GLY 49 N -0.46 0.92 3.22 0.83 0.00 -0.37 -5.11 105.19 104.22 1r6p n GLY 49 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1r6p n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r6p s GLN 50 N 0.00 1.48 -0.59 1.61 -1.52 0.12 -4.98 119.66 115.78 1r6p s GLN 50 Ca 0.00 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.66 1r6p s GLN 50 Cb 0.00 -1.50 0.27 0.00 -0.22 0.00 0.00 33.01 31.56 1r6p s GLN 50 CO 0.00 0.40 0.75 0.09 -0.25 0.00 0.00 175.29 176.28 1r6p n ASN 51 N 2.23 3.31 -2.45 5.90 4.13 -1.26 -1.48 115.26 125.64 1r6p n ASN 51 Ca -0.16 -3.37 0.00 0.00 1.68 0.00 0.00 54.58 52.73 1r6p n ASN 51 Cb 0.53 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r6p n PRO 52 N 0.71 1.32 -3.80 3.52 -0.04 -1.26 -5.09 135.00 130.37 1r6p n PRO 52 Ca 0.29 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.52 1r6p n PRO 52 Cb 0.43 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.33 2.39 0.07 0.52 -4.23 -1.26 -4.96 115.64 108.50 1r6p s THR 53 Ca 0.00 -1.48 0.21 0.00 -1.18 0.00 0.00 61.69 59.24 1r6p s THR 53 Cb 0.00 -2.87 0.19 0.00 1.34 0.00 0.00 72.50 71.16 1r6p s THR 53 CO 0.00 0.00 1.73 1.55 -0.54 0.00 0.00 174.62 177.36 1r6p h PRO 54 N 1.11 0.00 0.19 3.99 0.13 -1.98 -2.06 132.00 133.38 1r6p h PRO 54 Ca -0.41 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.41 1r6p h PRO 54 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 1r6p h PRO 54 CO 0.61 0.30 -1.41 0.93 -0.23 0.00 0.00 178.00 178.21 1r6p h GLU 55 N 0.00 0.40 0.20 0.86 5.08 -1.96 -2.74 114.58 116.43 1r6p h GLU 55 Ca -0.00 -0.69 -0.01 0.00 -1.00 0.00 0.00 59.36 57.66 1r6p h GLU 55 Cb 0.90 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1r6p h GLU 55 CO 0.04 1.32 -0.10 0.93 -1.00 0.00 0.00 179.01 180.20 1r6p h GLU 56 N 0.11 -0.26 -0.11 2.33 5.08 -1.94 -3.12 114.58 116.67 1r6p h GLU 56 Ca -0.21 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1r6p h GLU 56 Cb 2.08 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.38 1r6p h GLU 56 CO 0.23 0.08 0.00 1.37 -1.00 0.00 0.00 179.01 179.70 1r6p h LEU 57 N -0.64 0.14 -1.49 1.33 8.10 -1.52 -2.39 115.31 118.85 1r6p h LEU 57 Ca -0.03 -0.01 0.09 0.00 0.11 0.00 0.00 57.88 58.04 1r6p h LEU 57 Cb 0.46 -0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 40.60 1r6p h LEU 57 CO 0.05 0.17 0.45 1.56 -4.11 0.00 0.00 178.44 176.56 1r6p h GLN 58 N 0.16 0.56 -0.70 0.17 1.08 -1.42 0.09 115.11 115.06 1r6p h GLN 58 Ca 0.04 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1r6p h GLN 58 Cb 0.11 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1r6p h GLN 58 CO 0.00 0.37 0.31 0.93 -0.95 0.00 0.00 178.83 179.49 1r6p h GLU 59 N 0.58 1.02 -0.44 1.46 4.39 -1.45 0.72 114.58 120.86 1r6p h GLU 59 Ca 0.31 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 1r6p h GLU 59 Cb 0.45 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1r6p h GLU 59 CO -0.10 0.83 -0.22 0.52 -1.16 0.00 0.00 179.01 178.88 1r6p h MET 60 N 0.98 0.90 0.21 2.33 2.86 -1.27 -2.52 114.93 118.42 1r6p h MET 60 Ca 0.24 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1r6p h MET 60 Cb 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1r6p h MET 60 CO -0.02 1.02 -0.10 0.82 1.06 0.00 0.00 176.91 179.69 1r6p h ILE 61 N 0.78 0.81 -0.83 -1.22 1.08 -0.54 0.12 117.51 117.71 1r6p h ILE 61 Ca 0.10 -0.11 0.11 0.00 -0.39 0.00 0.00 64.86 64.57 1r6p h ILE 61 Cb 0.77 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 35.34 1r6p h ILE 61 CO 0.06 0.03 0.54 -0.78 -0.69 0.00 0.00 178.15 177.31 1r6p h ASP 62 N -0.34 0.67 -0.05 1.72 3.58 -0.83 0.73 116.42 121.90 1r6p h ASP 62 Ca -0.03 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 1r6p h ASP 62 Cb 0.26 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1r6p h ASP 62 CO 0.05 0.38 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.14 1r6p h GLU 63 N 0.73 0.31 -0.06 0.28 4.39 -1.08 -3.34 114.58 115.80 1r6p h GLU 63 Ca 0.40 -0.26 -0.23 0.00 0.34 0.00 0.00 59.36 59.61 1r6p h GLU 63 Cb 0.53 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1r6p h GLU 63 CO -0.16 0.91 -0.88 -0.24 -1.16 0.00 0.00 179.01 177.48 1r6p h VAL 64 N -0.22 1.32 -2.92 3.13 3.04 -0.29 -3.42 116.25 116.90 1r6p h VAL 64 Ca -0.02 -2.18 -0.56 0.00 -1.01 0.00 0.00 66.70 62.93 1r6p h VAL 64 Cb 0.98 2.21 -0.05 0.00 -2.01 0.00 0.00 31.29 32.42 1r6p h VAL 64 CO 0.06 0.67 1.14 -0.62 -1.01 0.00 0.00 177.57 177.82 1r6p s ASP 65 N -7.13 6.10 0.06 3.17 -1.08 0.25 -4.87 116.67 113.16 1r6p s ASP 65 Ca -0.08 0.70 -0.21 0.00 -0.52 0.00 0.00 52.55 52.43 1r6p s ASP 65 Cb 0.08 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 38.88 1r6p s ASP 65 CO 0.89 -1.65 1.49 -0.33 0.52 0.00 0.00 175.17 176.09 1r6p h GLU 66 N 11.59 0.27 0.15 4.34 5.08 -1.84 -3.24 114.58 130.93 1r6p h GLU 66 Ca -0.28 -0.09 -0.30 0.00 -1.00 0.00 0.00 59.36 57.69 1r6p h GLU 66 Cb 1.12 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.37 1r6p h GLU 66 CO 1.12 0.50 -1.29 0.38 -1.00 0.00 0.00 179.01 178.72 1r6p h ASP 67 N 0.01 0.73 -2.86 1.42 2.03 -1.95 -3.49 116.42 112.31 1r6p h ASP 67 Ca 0.04 -0.72 -0.10 0.00 -0.73 0.00 0.00 57.03 55.52 1r6p h ASP 67 Cb 0.38 -0.23 0.05 0.00 -0.83 0.00 0.00 39.33 38.69 1r6p h ASP 67 CO 0.01 1.54 -0.22 0.61 -1.03 0.00 0.00 179.24 180.15 1r6p n GLY 68 N 1.47 0.31 0.07 7.15 0.00 -1.22 -4.95 105.19 108.01 1r6p n GLY 68 Ca -0.13 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.03 0.55 0.00 1.61 3.41 -1.26 -4.91 113.62 111.99 1r6p n SER 69 Ca -0.06 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1r6p n SER 69 Cb 0.54 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.37 0.79 2.97 5.00 0.00 -1.26 -5.07 105.19 108.99 1r6p n GLY 70 Ca 0.06 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.33 2.61 -4.23 -1.26 -2.51 115.64 107.89 1r6p s THR 71 Ca 0.00 0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 60.44 1r6p s THR 71 Cb 0.00 -0.23 -0.01 0.00 1.34 0.00 0.00 72.50 73.59 1r6p s THR 71 CO 0.00 0.04 0.47 -0.69 -0.54 0.00 0.00 174.62 173.90 1r6p s VAL 72 N 0.73 5.07 0.78 2.29 1.01 -0.55 -4.80 120.40 124.93 1r6p s VAL 72 Ca -0.05 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1r6p s VAL 72 Cb -0.07 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.49 1r6p s VAL 72 CO -0.04 -0.11 1.14 -1.81 0.00 0.00 0.00 175.10 174.28 1r6p s ASP 73 N 1.72 4.67 0.41 3.32 1.11 -1.26 -0.26 116.67 126.36 1r6p s ASP 73 Ca 0.17 0.76 0.07 0.00 0.18 0.00 0.00 52.55 53.73 1r6p s ASP 73 Cb -0.16 -1.32 0.84 0.00 1.07 0.00 0.00 42.92 43.35 1r6p s ASP 73 CO 0.12 -1.79 2.05 0.15 1.18 0.00 0.00 175.17 176.89 1r6p h PHE 74 N -0.93 0.53 -0.31 4.23 3.57 -1.98 0.68 116.94 122.73 1r6p h PHE 74 Ca -0.46 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 1r6p h PHE 74 Cb 1.32 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1r6p h PHE 74 CO 0.34 0.34 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.29 1r6p h ASP 75 N 0.57 0.57 0.94 0.41 3.32 -1.93 -1.46 116.42 118.83 1r6p h ASP 75 Ca 0.15 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1r6p h ASP 75 Cb -0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1r6p h ASP 75 CO -0.03 0.76 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.63 1r6p h GLU 76 N 0.36 0.00 0.33 3.56 5.08 -1.71 -2.16 114.58 120.04 1r6p h GLU 76 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1r6p h GLU 76 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1r6p h GLU 76 CO 0.02 0.29 -0.16 0.35 -1.00 0.00 0.00 179.01 178.51 1r6p h PHE 77 N 0.00 -0.42 -0.21 4.33 3.57 0.69 -1.92 116.94 122.98 1r6p h PHE 77 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1r6p h PHE 77 Cb 0.84 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1r6p h PHE 77 CO 0.00 -0.08 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.77 1r6p h LEU 78 N -0.93 0.34 -0.08 0.59 4.07 -1.32 -2.84 115.31 115.14 1r6p h LEU 78 Ca -0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 1r6p h LEU 78 Cb 0.52 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.17 1r6p h LEU 78 CO 0.08 0.52 0.03 0.58 -1.08 0.00 0.00 178.44 178.57 1r6p h VAL 79 N 0.32 1.13 -0.75 1.22 2.07 -1.43 -2.36 116.25 116.46 1r6p h VAL 79 Ca 0.06 -0.38 0.22 0.00 0.82 0.00 0.00 66.70 67.42 1r6p h VAL 79 Cb 0.47 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1r6p h VAL 79 CO 0.03 0.11 0.64 -0.03 0.02 0.00 0.00 177.57 178.34 1r6p h MET 80 N -0.02 0.00 0.68 1.57 -1.53 -1.09 0.26 114.93 114.80 1r6p h MET 80 Ca 0.03 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.25 1r6p h MET 80 Cb 0.15 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.20 1r6p h MET 80 CO -0.00 0.00 -0.33 1.98 0.14 0.00 0.00 176.91 178.70 1r6p h MET 81 N 0.00 -0.88 -0.03 0.39 -1.53 -1.38 -1.10 114.93 110.39 1r6p h MET 81 Ca 0.36 0.06 -0.11 0.00 -3.44 0.00 0.00 59.70 56.57 1r6p h MET 81 Cb 1.64 0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 32.87 1r6p h MET 81 CO -0.00 -0.58 -0.47 -0.39 0.14 0.00 0.00 176.91 175.61 1r6p h VAL 82 N -0.95 1.34 -0.85 -5.77 -1.51 -1.34 -2.87 116.25 104.31 1r6p h VAL 82 Ca -0.09 -1.64 0.03 0.00 -1.23 0.00 0.00 66.70 63.77 1r6p h VAL 82 Cb 0.71 1.84 -0.05 0.00 -2.13 0.00 0.00 31.29 31.67 1r6p h VAL 82 CO 0.15 0.47 0.56 0.03 -1.23 0.00 0.00 177.57 177.56 1r6p h ARG 83 N 0.07 1.04 -0.81 5.19 2.47 -0.78 0.26 114.38 121.83 1r6p h ARG 83 Ca 0.00 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1r6p h ARG 83 Cb 0.86 -0.24 -0.05 0.00 -1.65 0.00 0.00 29.97 28.89 1r6p h ARG 83 CO 0.07 0.69 0.52 0.00 0.56 0.00 0.00 179.97 181.80 1r6p h MET 85 N 1.01 -0.04 -2.25 0.00 1.85 -1.35 -3.50 114.93 110.65 1r6p h MET 85 Ca 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.42 1r6p h MET 85 Cb 0.01 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.05 1r6p h MET 85 CO -0.11 0.58 -0.38 1.17 -0.40 0.00 0.00 176.91 177.77 1r6p n LYS 86 N -4.80 -2.24 0.02 0.39 0.00 0.83 -5.00 118.16 107.36 1r6p n LYS 86 Ca -0.09 1.85 -0.01 0.00 0.00 0.00 0.00 58.31 60.06 1r6p n LYS 86 Cb 0.32 -1.71 -0.01 0.00 0.00 0.00 0.00 35.03 33.63 1r6p n LYS 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1r6p h ASP 87 N 1.67 -0.08 0.00 3.14 3.58 -1.90 -3.50 116.42 119.33 1r6p h ASP 87 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1r6p h ASP 87 Cb 0.00 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1r6p h ASP 87 CO 0.00 0.15 0.00 -0.67 -2.88 0.00 0.00 179.24 175.84 1r6p n ASP 88 N -3.40 -0.95 0.00 2.28 2.03 -1.26 -5.24 116.55 110.00 1r6p n ASP 88 Ca -0.01 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1r6p n ASP 88 Cb 0.04 1.14 0.00 0.00 -0.72 0.00 0.00 41.12 41.57 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08