#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 6.95 -0.08 6.12 0.02 -1.26 -4.78 114.94 121.91 1r6p s ASN 2 Ca 0.00 -3.07 0.19 0.00 -1.02 0.00 0.00 52.86 48.96 1r6p s ASN 2 Cb 0.00 -2.20 -0.25 0.00 0.02 0.00 0.00 41.25 38.82 1r6p s ASN 2 CO 0.00 -0.45 0.39 0.47 0.02 0.00 0.00 177.10 177.53 1r6p n ASP 3 N 3.44 0.22 -0.20 -1.22 8.00 -1.26 -4.33 116.55 121.21 1r6p n ASP 3 Ca 0.18 0.10 0.24 0.00 0.71 0.00 0.00 54.79 56.01 1r6p n ASP 3 Cb 0.44 1.09 0.63 0.00 -0.02 0.00 0.00 41.12 43.26 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r6p h ILE 4 N 0.00 0.62 0.25 0.53 -2.65 -1.98 0.94 117.51 115.22 1r6p h ILE 4 Ca -0.28 -0.06 -0.01 0.00 1.03 0.00 0.00 64.86 65.54 1r6p h ILE 4 Cb 1.69 0.42 0.00 0.00 -2.05 0.00 0.00 36.82 36.88 1r6p h ILE 4 CO 0.02 0.03 -0.12 1.88 0.03 0.00 0.00 178.15 180.00 1r6p h TYR 5 N 0.18 -0.32 0.00 0.16 -1.99 -1.99 -2.39 116.97 110.63 1r6p h TYR 5 Ca 0.44 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 61.08 1r6p h TYR 5 Cb 1.43 0.10 -0.01 0.00 2.00 0.00 0.00 36.73 40.25 1r6p h TYR 5 CO -0.00 -0.01 -0.36 1.57 -0.00 0.00 0.00 178.16 179.35 1r6p h LYS 6 N -0.62 0.00 0.00 4.88 2.10 -1.58 -2.61 116.57 118.75 1r6p h LYS 6 Ca -0.03 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1r6p h LYS 6 Cb 0.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1r6p h LYS 6 CO 0.06 0.36 -0.28 0.00 -2.00 0.00 0.00 179.45 177.59 1r6p h ALA 7 N 1.64 1.23 0.11 0.07 0.00 -0.76 -1.71 119.26 119.83 1r6p h ALA 7 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1r6p h ALA 7 Cb 0.72 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1r6p h ALA 7 CO 0.05 0.35 -0.69 0.00 0.00 0.00 0.00 179.25 178.96 1r6p h ALA 8 N 1.72 -0.06 0.00 0.00 0.00 -1.05 -3.06 119.26 116.81 1r6p h ALA 8 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1r6p h ALA 8 Cb 0.63 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1r6p h ALA 8 CO 0.04 0.33 -0.05 -0.24 0.00 0.00 0.00 179.25 179.32 1r6p h VAL 9 N -0.42 0.16 0.00 0.00 3.04 -1.45 -0.22 116.25 117.37 1r6p h VAL 9 Ca -0.12 -0.49 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1r6p h VAL 9 Cb 1.53 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 32.22 1r6p h VAL 9 CO 0.13 0.05 -0.29 -0.33 -1.01 0.00 0.00 177.57 176.12 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.39 -1.35 -3.33 114.58 118.46 1r6p h GLU 10 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1r6p h GLU 10 Cb 0.41 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.98 1r6p h GLU 10 CO 0.01 0.10 -0.48 0.00 -1.16 0.00 0.00 179.01 177.47 1r6p n GLN 11 N -3.05 1.03 -1.39 2.33 10.64 -0.79 -5.08 117.38 121.06 1r6p n GLN 11 Ca 0.03 -2.62 -0.30 0.00 -1.83 0.00 0.00 57.00 52.28 1r6p n GLN 11 Cb 0.58 -1.15 0.20 0.00 -0.86 0.00 0.00 30.24 29.01 1r6p n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1r6p s LEU 12 N -2.16 1.54 0.48 2.61 0.05 -0.16 -5.01 118.68 116.02 1r6p s LEU 12 Ca 0.32 0.65 -0.02 0.00 0.05 0.00 0.00 54.13 55.12 1r6p s LEU 12 Cb 0.31 -2.61 -0.01 0.00 -2.05 0.00 0.00 46.19 41.84 1r6p s LEU 12 CO -0.06 -3.39 0.73 0.42 -0.55 0.00 0.00 176.35 173.51 1r6p s THR 13 N -3.28 4.10 0.29 5.48 -4.23 -1.26 -4.99 115.64 111.75 1r6p s THR 13 Ca 0.70 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 1r6p s THR 13 Cb -0.10 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.21 1r6p s THR 13 CO 0.55 -0.44 1.67 0.44 -0.54 0.00 0.00 174.62 176.30 1r6p h ASP 14 N 0.27 0.15 -0.31 3.99 3.32 -2.00 -2.88 116.42 118.97 1r6p h ASP 14 Ca -0.46 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.37 1r6p h ASP 14 Cb 1.25 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1r6p h ASP 14 CO 0.59 0.62 -0.33 -0.33 -1.72 0.00 0.00 179.24 178.07 1r6p h GLU 15 N 0.11 0.84 -0.66 3.56 5.08 -1.98 -1.60 114.58 119.93 1r6p h GLU 15 Ca 0.00 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1r6p h GLU 15 Cb 0.91 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1r6p h GLU 15 CO 0.07 1.04 0.41 0.37 -1.00 0.00 0.00 179.01 179.90 1r6p h GLN 16 N 0.70 0.79 -0.29 2.33 4.15 -1.91 -0.82 115.11 120.06 1r6p h GLN 16 Ca 0.07 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 1r6p h GLN 16 Cb 0.89 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1r6p h GLN 16 CO 0.08 0.53 -0.36 0.87 -1.93 0.00 0.00 178.83 178.01 1r6p h LYS 17 N 0.82 0.66 -0.14 1.69 1.57 -1.40 -3.00 116.57 116.77 1r6p h LYS 17 Ca 0.26 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1r6p h LYS 17 Cb -0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1r6p h LYS 17 CO -0.09 0.92 -0.20 -0.91 -0.57 0.00 0.00 179.45 178.59 1r6p h ASN 18 N 0.55 0.22 -0.26 0.86 2.35 -0.59 0.46 115.58 119.17 1r6p h ASN 18 Ca 0.05 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1r6p h ASN 18 Cb 0.88 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 1r6p h ASN 18 CO 0.08 0.44 0.10 -0.33 -1.65 0.00 0.00 177.43 176.06 1r6p h GLU 19 N 0.21 0.21 0.17 0.81 5.08 -1.02 -1.31 114.58 118.73 1r6p h GLU 19 Ca 0.04 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.05 1r6p h GLU 19 Cb 0.49 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1r6p h GLU 19 CO 0.03 0.14 -1.68 0.74 -1.00 0.00 0.00 179.01 177.25 1r6p h PHE 20 N 0.22 0.65 -0.70 4.33 -1.00 -1.59 -3.35 116.94 115.50 1r6p h PHE 20 Ca 0.11 -0.48 0.11 0.00 2.81 0.00 0.00 57.97 60.52 1r6p h PHE 20 Cb 0.07 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.56 1r6p h PHE 20 CO -0.12 1.65 0.46 -0.22 -1.61 0.00 0.00 178.31 178.48 1r6p h LYS 21 N 0.01 0.51 0.36 1.51 3.11 -0.08 0.55 116.57 122.55 1r6p h LYS 21 Ca -0.34 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.45 1r6p h LYS 21 Cb 2.02 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 33.13 1r6p h LYS 21 CO 0.15 0.34 -0.17 0.00 -2.81 0.00 0.00 179.45 176.95 1r6p h ALA 22 N 1.65 -0.49 -0.23 5.00 0.00 -1.37 0.34 119.26 124.16 1r6p h ALA 22 Ca 0.33 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1r6p h ALA 22 Cb 0.56 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1r6p h ALA 22 CO -0.11 -0.75 -0.31 0.00 0.00 0.00 0.00 179.25 178.09 1r6p h ALA 23 N 0.09 1.05 -0.41 0.00 0.00 -1.54 -2.73 119.26 115.72 1r6p h ALA 23 Ca -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1r6p h ALA 23 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1r6p h ALA 23 CO 0.08 0.58 0.13 0.35 0.00 0.00 0.00 179.25 180.39 1r6p h PHE 24 N 0.40 0.66 -0.31 0.00 3.04 0.35 -1.73 116.94 119.34 1r6p h PHE 24 Ca 0.05 -0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1r6p h PHE 24 Cb 0.74 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 1r6p h PHE 24 CO 0.02 0.61 -0.17 -0.44 -2.02 0.00 0.00 178.31 176.31 1r6p h ASP 25 N 0.52 0.55 0.21 0.41 5.19 -0.21 -0.86 116.42 122.23 1r6p h ASP 25 Ca 0.13 -0.17 -0.23 0.00 -0.62 0.00 0.00 57.03 56.15 1r6p h ASP 25 Cb 0.25 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.62 1r6p h ASP 25 CO -0.00 0.74 -0.94 0.16 -3.12 0.00 0.00 179.24 176.08 1r6p h ILE 26 N 0.51 1.36 0.01 0.35 3.07 -1.37 -0.20 117.51 121.23 1r6p h ILE 26 Ca 0.08 -2.33 -0.23 0.00 1.55 0.00 0.00 64.86 63.94 1r6p h ILE 26 Cb 0.59 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 1r6p h ILE 26 CO 0.04 0.71 -0.96 -0.26 -1.05 0.00 0.00 178.15 176.63 1r6p h PHE 27 N 0.30 0.55 -0.38 0.16 0.04 -1.25 -3.19 116.94 113.17 1r6p h PHE 27 Ca -0.09 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.38 1r6p h PHE 27 Cb 1.57 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.66 1r6p h PHE 27 CO 0.07 1.14 0.00 0.44 -0.60 0.00 0.00 178.31 179.36 1r6p n ILE 28 N -3.71 0.50 -0.30 -0.55 -6.64 -0.34 -4.48 119.36 103.84 1r6p n ILE 28 Ca -0.06 -0.66 0.13 0.00 -1.77 0.00 0.00 62.75 60.38 1r6p n ILE 28 Cb 0.85 0.70 0.28 0.00 -1.44 0.00 0.00 39.64 40.03 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 3.71 0.18 -0.79 6.28 4.15 -1.01 0.17 115.11 127.80 1r6p h GLN 29 Ca 0.00 -0.01 -0.55 0.00 0.77 0.00 0.00 58.65 58.86 1r6p h GLN 29 Cb 0.82 -0.04 -0.34 0.00 0.21 0.00 0.00 27.48 28.13 1r6p h GLN 29 CO 0.00 0.12 -0.12 -3.47 -1.93 0.00 0.00 178.83 173.43 1r6p n ASP 30 N -5.25 5.56 -4.95 -0.69 2.03 -1.26 -5.02 116.55 106.96 1r6p n ASP 30 Ca 0.21 -3.77 -0.25 0.00 0.52 0.00 0.00 54.79 51.50 1r6p n ASP 30 Cb 0.68 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r6p s ALA 31 N -3.63 3.94 -0.27 -1.67 0.00 0.61 -5.03 121.76 115.71 1r6p s ALA 31 Ca 0.55 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.54 1r6p s ALA 31 Cb 0.45 -1.80 0.45 0.00 0.00 0.00 0.00 23.12 22.22 1r6p s ALA 31 CO 0.02 0.43 1.19 -0.85 0.00 0.00 0.00 175.76 176.55 1r6p n GLU 32 N -0.84 3.01 0.00 0.00 0.28 -1.26 -4.74 120.64 117.08 1r6p n GLU 32 Ca -0.07 -3.91 0.00 0.00 -0.16 0.00 0.00 57.16 53.02 1r6p n GLU 32 Cb 0.55 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.36 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1r6p n ASP 33 N -0.77 0.00 0.00 -1.84 8.00 -1.26 -5.07 116.55 115.61 1r6p n ASP 33 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1r6p n ASP 33 Cb 0.90 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r6p n GLY 34 N 0.11 0.78 3.48 0.44 0.00 -1.26 -5.14 105.19 103.61 1r6p n GLY 34 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.15 2.35 -0.35 0.00 -5.25 0.19 -4.76 121.20 112.24 1r6p s ILE 36 Ca -0.11 -0.52 -0.20 0.00 -0.99 0.00 0.00 60.65 58.84 1r6p s ILE 36 Cb -0.01 -2.83 0.00 0.00 2.95 0.00 0.00 42.46 42.57 1r6p s ILE 36 CO 0.09 0.00 0.60 -0.55 -1.79 0.00 0.00 174.94 173.29 1r6p s SER 37 N -4.58 6.40 0.32 4.36 0.15 -1.26 -1.14 113.70 117.95 1r6p s SER 37 Ca 0.62 0.12 0.04 0.00 0.70 0.00 0.00 55.95 57.43 1r6p s SER 37 Cb -0.08 -2.31 0.66 0.00 -1.71 0.00 0.00 66.02 62.58 1r6p s SER 37 CO 0.43 -0.55 1.87 0.71 1.20 0.00 0.00 173.24 176.89 1r6p h THR 38 N 5.65 0.92 0.00 6.45 1.35 -1.75 0.21 112.91 125.74 1r6p h THR 38 Ca -0.27 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 1r6p h THR 38 Cb 1.11 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1r6p h THR 38 CO 0.82 0.16 -0.18 0.07 -0.25 0.00 0.00 175.52 176.13 1r6p h LYS 39 N 0.87 0.00 -0.68 4.72 2.10 -1.92 -1.68 116.57 119.98 1r6p h LYS 39 Ca 0.45 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.01 1r6p h LYS 39 Cb 0.51 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.79 1r6p h LYS 39 CO -0.21 0.18 0.11 0.39 -2.00 0.00 0.00 179.45 177.92 1r6p n GLU 40 N -4.30 4.18 0.05 0.07 1.02 0.68 -4.50 120.64 117.84 1r6p n GLU 40 Ca -0.02 -2.89 0.18 0.00 -0.02 0.00 0.00 57.16 54.41 1r6p n GLU 40 Cb 0.25 -2.19 0.68 0.00 -0.02 0.00 0.00 31.44 30.15 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 3.21 0.01 -1.31 -4.62 7.12 -0.68 -0.98 115.31 118.05 1r6p h LEU 41 Ca 0.11 0.00 0.15 0.00 0.13 0.00 0.00 57.88 58.26 1r6p h LEU 41 Cb 2.03 -0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 42.09 1r6p h LEU 41 CO 0.56 0.00 0.57 1.23 -0.13 0.00 0.00 178.44 180.67 1r6p h GLY 42 N 0.01 1.17 2.00 3.75 0.00 -1.83 0.35 103.07 108.52 1r6p h GLY 42 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1r6p h GLY 42 CO -0.00 0.08 -0.25 0.50 0.00 0.00 0.00 176.54 176.86 1r6p h LYS 43 N 0.66 0.00 0.09 4.80 1.79 -1.54 -0.21 116.57 122.16 1r6p h LYS 43 Ca 0.45 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.54 1r6p h LYS 43 Cb 0.76 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 1r6p h LYS 43 CO -0.20 0.25 -2.14 1.33 -1.08 0.00 0.00 179.45 177.61 1r6p n VAL 44 N -3.92 1.69 -0.06 0.50 0.24 0.29 -3.59 118.33 113.48 1r6p n VAL 44 Ca -0.02 -0.62 -0.15 0.00 -2.04 0.00 0.00 64.34 61.51 1r6p n VAL 44 Cb 0.33 -1.64 -0.06 0.00 -1.47 0.00 0.00 33.84 31.00 1r6p n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r6p h MET 45 N 0.03 0.75 -0.10 7.34 -0.00 -0.43 -0.60 114.93 121.92 1r6p h MET 45 Ca -0.47 -0.51 -0.08 0.00 -0.00 0.00 0.00 59.70 58.64 1r6p h MET 45 Cb 1.98 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 33.64 1r6p h MET 45 CO 0.03 1.13 -0.31 0.00 -0.00 0.00 0.00 176.91 177.76 1r6p h ARG 46 N 0.48 0.20 0.02 -0.10 2.47 -0.50 0.58 114.38 117.53 1r6p h ARG 46 Ca -0.00 -0.07 -0.21 0.00 -1.26 0.00 0.00 59.98 58.44 1r6p h ARG 46 Cb 1.13 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.42 1r6p h ARG 46 CO 0.11 0.49 -0.94 0.52 0.56 0.00 0.00 179.97 180.71 1r6p h MET 47 N 0.17 0.12 -0.01 0.04 2.86 -1.60 -3.20 114.93 113.32 1r6p h MET 47 Ca 0.02 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 1r6p h MET 47 Cb 0.64 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1r6p h MET 47 CO 0.05 0.97 -0.58 -0.07 1.06 0.00 0.00 176.91 178.34 1r6p h LEU 48 N 0.06 0.05 0.00 1.22 4.07 -0.71 -3.47 115.31 116.52 1r6p h LEU 48 Ca -0.04 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1r6p h LEU 48 Cb 1.62 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.35 1r6p h LEU 48 CO 0.14 0.62 0.00 0.61 -1.08 0.00 0.00 178.44 178.72 1r6p n GLY 49 N 0.15 1.58 3.02 0.83 0.00 -0.52 -5.09 105.19 105.16 1r6p n GLY 49 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.44 -0.56 1.61 -1.52 0.19 -4.99 119.66 115.83 1r6p s GLN 50 Ca 0.00 -0.38 0.07 0.00 -1.95 0.00 0.00 55.36 53.10 1r6p s GLN 50 Cb 0.00 -1.24 0.28 0.00 -0.22 0.00 0.00 33.01 31.82 1r6p s GLN 50 CO 0.00 0.06 0.75 0.09 -0.25 0.00 0.00 175.29 175.94 1r6p n ASN 51 N 3.64 3.06 -2.50 5.90 4.13 -1.26 -2.14 115.26 126.09 1r6p n ASN 51 Ca -0.22 -3.33 0.00 0.00 1.68 0.00 0.00 54.58 52.71 1r6p n ASN 51 Cb 0.52 -0.64 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 0.67 1.28 -3.60 3.52 -0.04 -1.26 -5.12 135.00 130.45 1r6p n PRO 52 Ca 0.28 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 1r6p n PRO 52 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 0.29 1.96 0.04 0.52 -4.23 -1.26 -4.96 115.64 108.01 1r6p s THR 53 Ca 0.00 -1.33 0.16 0.00 -1.18 0.00 0.00 61.69 59.34 1r6p s THR 53 Cb 0.00 -2.29 0.08 0.00 1.34 0.00 0.00 72.50 71.63 1r6p s THR 53 CO 0.00 0.00 1.59 1.55 -0.54 0.00 0.00 174.62 177.22 1r6p h PRO 54 N 0.64 0.00 0.18 3.99 0.13 -2.00 -1.04 132.00 133.91 1r6p h PRO 54 Ca -0.36 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1r6p h PRO 54 CO 0.53 0.47 -1.39 0.93 -0.23 0.00 0.00 178.00 178.31 1r6p h GLU 55 N 0.00 0.38 -0.11 0.86 5.08 -1.99 -3.03 114.58 115.76 1r6p h GLU 55 Ca -0.00 -0.64 -0.20 0.00 -1.00 0.00 0.00 59.36 57.51 1r6p h GLU 55 Cb 1.15 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1r6p h GLU 55 CO 0.06 1.30 -0.72 0.93 -1.00 0.00 0.00 179.01 179.58 1r6p h GLU 56 N 0.10 0.68 -0.64 2.33 5.08 -1.95 -2.71 114.58 117.47 1r6p h GLU 56 Ca -0.20 -0.59 -0.04 0.00 -1.00 0.00 0.00 59.36 57.53 1r6p h GLU 56 Cb 2.06 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 31.41 1r6p h GLU 56 CO 0.23 1.20 0.23 1.37 -1.00 0.00 0.00 179.01 181.03 1r6p h LEU 57 N 0.36 0.88 -1.05 1.33 8.10 -1.31 -1.94 115.31 121.68 1r6p h LEU 57 Ca -0.06 -0.14 -0.08 0.00 0.11 0.00 0.00 57.88 57.72 1r6p h LEU 57 Cb 1.37 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 41.35 1r6p h LEU 57 CO 0.15 0.81 -0.37 1.56 -4.11 0.00 0.00 178.44 176.48 1r6p h GLN 58 N 0.93 0.00 -0.14 0.17 1.08 -1.55 -2.46 115.11 113.14 1r6p h GLN 58 Ca 0.21 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1r6p h GLN 58 Cb 0.22 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1r6p h GLN 58 CO -0.01 0.37 -0.07 0.93 -0.95 0.00 0.00 178.83 179.10 1r6p h GLU 59 N 0.00 0.29 0.00 1.46 5.08 -1.03 0.33 114.58 120.71 1r6p h GLU 59 Ca -0.00 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1r6p h GLU 59 Cb 0.83 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1r6p h GLU 59 CO 0.05 0.62 -0.27 0.00 -1.00 0.00 0.00 179.01 178.41 1r6p h MET 60 N -0.05 0.00 0.15 2.33 -0.00 -1.40 -2.06 114.93 113.90 1r6p h MET 60 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.48 1r6p h MET 60 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.15 1r6p h MET 60 CO 0.02 0.27 -1.16 0.82 -0.00 0.00 0.00 176.91 176.86 1r6p h ILE 61 N 0.00 1.29 -0.77 -0.10 1.08 -1.31 -3.17 117.51 114.53 1r6p h ILE 61 Ca -0.00 -2.52 0.01 0.00 -0.39 0.00 0.00 64.86 61.96 1r6p h ILE 61 Cb 0.63 3.00 -0.04 0.00 -3.07 0.00 0.00 36.82 37.34 1r6p h ILE 61 CO 0.03 0.73 0.51 -0.78 -0.69 0.00 0.00 178.15 177.95 1r6p h ASP 62 N -0.25 0.89 -0.51 1.72 3.58 -0.24 0.55 116.42 122.16 1r6p h ASP 62 Ca -0.22 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.13 1r6p h ASP 62 Cb 1.79 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.59 1r6p h ASP 62 CO 0.14 0.65 0.08 1.05 -2.88 0.00 0.00 179.24 178.28 1r6p h GLU 63 N 1.05 0.90 0.06 0.28 4.11 -1.50 -3.04 114.58 116.43 1r6p h GLU 63 Ca 0.28 -0.22 -0.26 0.00 0.07 0.00 0.00 59.36 59.23 1r6p h GLU 63 Cb -0.11 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1r6p h GLU 63 CO -0.06 0.85 -1.26 -0.24 0.07 0.00 0.00 179.01 178.36 1r6p h VAL 64 N 0.85 1.43 -2.40 -1.06 3.04 -1.43 -3.42 116.25 113.27 1r6p h VAL 64 Ca 0.17 -3.11 -0.53 0.00 -1.01 0.00 0.00 66.70 62.22 1r6p h VAL 64 Cb 0.39 2.80 -0.07 0.00 -2.01 0.00 0.00 31.29 32.40 1r6p h VAL 64 CO 0.01 0.86 1.11 -0.62 -1.01 0.00 0.00 177.57 177.92 1r6p s ASP 65 N -6.80 6.03 0.10 3.17 -1.08 0.19 -4.85 116.67 113.43 1r6p s ASP 65 Ca -0.03 -0.22 -0.15 0.00 -0.52 0.00 0.00 52.55 51.63 1r6p s ASP 65 Cb 0.08 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 38.92 1r6p s ASP 65 CO 0.84 -1.89 1.46 -0.33 0.52 0.00 0.00 175.17 175.77 1r6p h GLU 66 N 10.89 0.69 0.21 4.34 5.08 -1.83 -3.25 114.58 130.70 1r6p h GLU 66 Ca -0.27 -0.32 -0.32 0.00 -1.00 0.00 0.00 59.36 57.45 1r6p h GLU 66 Cb 1.07 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.34 1r6p h GLU 66 CO 1.25 0.92 -1.42 0.38 -1.00 0.00 0.00 179.01 179.14 1r6p h ASP 67 N 0.45 0.68 -3.61 1.42 2.03 -1.94 -3.49 116.42 111.96 1r6p h ASP 67 Ca 0.07 -0.75 -0.15 0.00 -0.73 0.00 0.00 57.03 55.47 1r6p h ASP 67 Cb 0.73 -0.22 0.08 0.00 -0.83 0.00 0.00 39.33 39.09 1r6p h ASP 67 CO 0.05 1.59 -0.34 0.61 -1.03 0.00 0.00 179.24 180.12 1r6p n GLY 68 N 1.66 0.09 0.35 7.15 0.00 -1.23 -4.94 105.19 108.28 1r6p n GLY 68 Ca -0.15 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.86 1.05 -0.27 1.61 3.41 -1.26 -4.88 113.62 111.41 1r6p n SER 69 Ca -0.12 -1.61 -0.03 0.00 -0.26 0.00 0.00 58.87 56.84 1r6p n SER 69 Cb 0.57 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 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 1.00 0.65 3.05 5.00 0.00 -1.26 -5.02 105.19 108.62 1r6p n GLY 70 Ca 0.15 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.12 -0.03 -0.25 2.61 -4.23 -1.26 -2.11 115.64 108.26 1r6p s THR 71 Ca 0.00 0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 60.46 1r6p s THR 71 Cb 0.00 -0.34 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 1r6p s THR 71 CO 0.00 0.04 0.36 -0.69 -0.54 0.00 0.00 174.62 173.79 1r6p s VAL 72 N 0.82 5.20 0.61 2.29 1.01 -0.29 -4.84 120.40 125.20 1r6p s VAL 72 Ca -0.06 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 1r6p s VAL 72 Cb -0.07 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1r6p s VAL 72 CO -0.05 0.20 0.94 -1.81 0.00 0.00 0.00 175.10 174.38 1r6p s ASP 73 N 1.43 5.61 0.49 3.32 1.01 -1.26 -0.63 116.67 126.64 1r6p s ASP 73 Ca 0.15 0.83 0.15 0.00 0.71 0.00 0.00 52.55 54.40 1r6p s ASP 73 Cb -0.15 -1.80 1.19 0.00 1.01 0.00 0.00 42.92 43.16 1r6p s ASP 73 CO 0.09 -1.09 2.09 0.15 0.21 0.00 0.00 175.17 176.62 1r6p h PHE 74 N -0.26 0.14 -0.34 4.23 3.57 -1.99 0.68 116.94 122.98 1r6p h PHE 74 Ca -0.45 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 1r6p h PHE 74 Cb 1.25 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1r6p h PHE 74 CO 0.49 0.08 -0.19 0.22 -2.23 0.00 0.00 178.31 176.68 1r6p h ASP 75 N 0.15 0.75 0.48 0.41 1.82 -1.95 -0.96 116.42 117.11 1r6p h ASP 75 Ca 0.09 -0.42 -0.14 0.00 -0.39 0.00 0.00 57.03 56.18 1r6p h ASP 75 Cb 0.19 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1r6p h ASP 75 CO -0.01 1.01 -0.60 -0.33 -1.61 0.00 0.00 179.24 177.69 1r6p h GLU 76 N 0.50 0.12 -0.18 0.28 5.08 -1.52 -0.68 114.58 118.18 1r6p h GLU 76 Ca 0.07 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1r6p h GLU 76 Cb 0.74 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1r6p h GLU 76 CO 0.05 0.68 0.02 0.35 -1.00 0.00 0.00 179.01 179.12 1r6p h PHE 77 N 0.09 0.31 0.00 4.33 3.57 0.51 -2.07 116.94 123.67 1r6p h PHE 77 Ca -0.01 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.30 1r6p h PHE 77 Cb 1.08 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1r6p h PHE 77 CO 0.01 0.46 -0.71 -0.07 -2.23 0.00 0.00 178.31 175.77 1r6p h LEU 78 N 0.08 0.00 -0.44 0.59 4.07 -1.16 -3.23 115.31 115.22 1r6p h LEU 78 Ca 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1r6p h LEU 78 Cb 0.32 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 1r6p h LEU 78 CO 0.00 0.71 0.15 0.58 -1.08 0.00 0.00 178.44 178.81 1r6p h VAL 79 N 0.00 1.22 -1.18 1.22 2.07 -1.03 -2.51 116.25 116.04 1r6p h VAL 79 Ca -0.01 -0.71 0.34 0.00 0.82 0.00 0.00 66.70 67.15 1r6p h VAL 79 Cb 1.36 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1r6p h VAL 79 CO 0.09 0.25 0.91 -0.03 0.02 0.00 0.00 177.57 178.82 1r6p h MET 80 N 0.58 0.00 0.62 1.57 -1.53 -1.39 0.15 114.93 114.93 1r6p h MET 80 Ca 0.14 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.37 1r6p h MET 80 Cb 0.24 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.30 1r6p h MET 80 CO -0.01 0.00 -0.30 0.52 0.14 0.00 0.00 176.91 177.26 1r6p h MET 81 N 0.00 -0.80 -0.06 0.39 2.86 -1.59 -1.85 114.93 113.88 1r6p h MET 81 Ca 0.56 0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 58.19 1r6p h MET 81 Cb 2.37 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 34.20 1r6p h MET 81 CO -0.01 -0.49 -0.28 -0.39 1.06 0.00 0.00 176.91 176.80 1r6p h VAL 82 N -1.00 1.23 -0.97 -2.22 -1.51 -1.28 -2.59 116.25 107.91 1r6p h VAL 82 Ca -0.09 -1.08 0.02 0.00 -1.23 0.00 0.00 66.70 64.32 1r6p h VAL 82 Cb 0.69 1.51 -0.05 0.00 -2.13 0.00 0.00 31.29 31.30 1r6p h VAL 82 CO 0.14 0.32 0.64 0.03 -1.23 0.00 0.00 177.57 177.47 1r6p h ARG 83 N 0.09 1.25 -0.52 5.19 2.47 -0.90 0.28 114.38 122.23 1r6p h ARG 83 Ca 0.01 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 1r6p h ARG 83 Cb 0.56 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1r6p h ARG 83 CO 0.04 0.83 0.08 0.00 0.56 0.00 0.00 179.97 181.47 1r6p h MET 85 N 0.76 -0.13 -2.21 0.00 1.85 -1.27 -3.50 114.93 110.42 1r6p h MET 85 Ca 0.16 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 1r6p h MET 85 Cb 0.42 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.48 1r6p h MET 85 CO 0.01 0.22 -0.48 1.17 -0.40 0.00 0.00 176.91 177.43 1r6p n LYS 86 N -4.98 -2.66 0.06 0.39 3.00 0.93 -4.90 118.16 109.99 1r6p n LYS 86 Ca -0.09 1.98 -0.08 0.00 -0.00 0.00 0.00 58.31 60.12 1r6p n LYS 86 Cb 0.21 -2.09 -0.12 0.00 0.00 0.00 0.00 35.03 33.03 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 1.69 0.05 -3.73 3.14 3.58 -1.91 -3.50 116.42 115.73 1r6p h ASP 87 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1r6p h ASP 87 Cb 0.00 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1r6p h ASP 87 CO 0.00 1.05 -0.53 -0.67 -2.88 0.00 0.00 179.24 176.20 1r6p n ASP 88 N -3.35 -2.77 0.00 2.28 -0.08 -1.26 -5.21 116.55 106.17 1r6p n ASP 88 Ca -0.03 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1r6p n ASP 88 Cb 0.96 -2.66 0.00 0.00 2.34 0.00 0.00 41.12 41.76 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08