#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 5.30 0.29 6.12 -0.87 -1.26 -4.94 114.94 119.58 1r6p s ASN 2 Ca 0.00 -1.34 0.24 0.00 -1.57 0.00 0.00 52.86 50.19 1r6p s ASN 2 Cb 0.00 -1.86 0.49 0.00 -0.02 0.00 0.00 41.25 39.86 1r6p s ASN 2 CO 0.00 -0.38 1.59 -2.24 -2.57 0.00 0.00 177.10 173.50 1r6p h ASP 3 N 8.20 0.00 -0.34 -1.22 2.03 -2.06 -3.31 116.42 119.71 1r6p h ASP 3 Ca -0.21 -0.03 0.05 0.00 -0.73 0.00 0.00 57.03 56.11 1r6p h ASP 3 Cb 1.07 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.56 1r6p h ASP 3 CO 0.63 0.01 0.23 0.16 -1.03 0.00 0.00 179.24 179.25 1r6p h ILE 4 N 0.00 0.97 -0.39 4.15 -0.00 -2.00 -1.19 117.51 119.05 1r6p h ILE 4 Ca 0.00 -0.09 -0.15 0.00 -0.00 0.00 0.00 64.86 64.63 1r6p h ILE 4 Cb 0.87 0.68 -0.01 0.00 -0.00 0.00 0.00 36.82 38.36 1r6p h ILE 4 CO 0.00 0.05 -0.33 1.88 -0.00 0.00 0.00 178.15 179.74 1r6p h TYR 5 N 0.26 1.03 0.00 0.16 0.05 -1.94 -2.85 116.97 113.69 1r6p h TYR 5 Ca 0.15 -0.29 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 1r6p h TYR 5 Cb 0.26 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1r6p h TYR 5 CO -0.00 1.08 -0.36 -0.22 -1.05 0.00 0.00 178.16 177.62 1r6p h LYS 6 N 0.73 0.00 -0.18 4.88 3.64 -1.46 -2.85 116.57 121.33 1r6p h LYS 6 Ca 0.07 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 1r6p h LYS 6 Cb 0.90 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1r6p h LYS 6 CO 0.08 0.36 -0.43 0.00 -2.27 0.00 0.00 179.45 177.19 1r6p h ALA 7 N 1.64 0.92 -0.08 5.00 0.00 -1.05 -1.98 119.26 123.71 1r6p h ALA 7 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1r6p h ALA 7 Cb 0.81 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1r6p h ALA 7 CO 0.05 0.64 -0.47 0.00 0.00 0.00 0.00 179.25 179.46 1r6p h ALA 8 N 1.18 0.16 0.00 0.00 0.00 -1.36 -2.93 119.26 116.32 1r6p h ALA 8 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1r6p h ALA 8 Cb 0.90 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1r6p h ALA 8 CO 0.08 0.33 -0.07 -0.24 0.00 0.00 0.00 179.25 179.35 1r6p h VAL 9 N 0.02 0.24 0.00 0.00 3.04 -1.51 -0.72 116.25 117.32 1r6p h VAL 9 Ca -0.04 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1r6p h VAL 9 Cb 1.13 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1r6p h VAL 9 CO 0.10 0.07 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.20 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 5.08 -1.29 -3.33 114.58 119.21 1r6p h GLU 10 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1r6p h GLU 10 Cb 0.41 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 1r6p h GLU 10 CO 0.01 0.00 -0.56 0.00 -1.00 0.00 0.00 179.01 177.46 1r6p n GLN 11 N -2.69 0.89 -1.86 2.33 10.64 -0.73 -5.08 117.38 120.88 1r6p n GLN 11 Ca 0.04 -2.52 -0.30 0.00 -1.83 0.00 0.00 57.00 52.39 1r6p n GLN 11 Cb 0.49 -1.00 0.18 0.00 -0.86 0.00 0.00 30.24 29.05 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 -1.86 2.53 0.47 2.61 0.05 -0.35 -5.02 118.68 117.11 1r6p s LEU 12 Ca 0.31 0.37 0.03 0.00 0.05 0.00 0.00 54.13 54.89 1r6p s LEU 12 Cb 0.31 -2.46 0.01 0.00 -2.05 0.00 0.00 46.19 42.01 1r6p s LEU 12 CO -0.07 -2.73 0.67 0.42 -0.55 0.00 0.00 176.35 174.09 1r6p s THR 13 N -3.78 3.38 0.26 5.48 -4.23 -1.26 -5.00 115.64 110.49 1r6p s THR 13 Ca 0.72 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1r6p s THR 13 Cb -0.05 -3.23 -0.02 0.00 1.34 0.00 0.00 72.50 70.54 1r6p s THR 13 CO 0.53 -0.14 1.60 -0.78 -0.54 0.00 0.00 174.62 175.29 1r6p h ASP 14 N 0.38 0.15 -0.36 3.99 3.58 -2.00 -2.87 116.42 119.29 1r6p h ASP 14 Ca -0.44 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 56.89 1r6p h ASP 14 Cb 1.27 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1r6p h ASP 14 CO 0.53 0.70 0.12 1.05 -2.88 0.00 0.00 179.24 178.76 1r6p h GLU 15 N 0.10 0.64 -0.70 0.28 4.11 -1.99 -1.67 114.58 115.34 1r6p h GLU 15 Ca -0.00 -0.11 -0.05 0.00 0.07 0.00 0.00 59.36 59.27 1r6p h GLU 15 Cb 1.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1r6p h GLU 15 CO 0.08 0.57 0.24 0.37 0.07 0.00 0.00 179.01 180.35 1r6p h GLN 16 N 0.62 1.08 -0.50 1.06 -0.00 -1.91 -1.54 115.11 113.94 1r6p h GLN 16 Ca 0.14 -0.22 -0.08 0.00 -0.00 0.00 0.00 58.65 58.50 1r6p h GLN 16 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1r6p h GLN 16 CO -0.01 0.92 0.00 0.87 0.00 0.00 0.00 178.83 180.62 1r6p h LYS 17 N 1.03 0.83 -0.20 1.69 1.79 -1.36 -2.76 116.57 117.58 1r6p h LYS 17 Ca 0.23 -0.23 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1r6p h LYS 17 Cb 0.28 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1r6p h LYS 17 CO -0.01 0.83 -0.33 -0.91 -1.08 0.00 0.00 179.45 177.95 1r6p h ASN 18 N 0.77 0.43 -0.42 0.86 2.35 -0.85 0.38 115.58 119.10 1r6p h ASN 18 Ca 0.15 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1r6p h ASN 18 Cb 0.46 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1r6p h ASN 18 CO 0.02 0.73 0.24 -0.33 -1.65 0.00 0.00 177.43 176.45 1r6p h GLU 19 N 0.36 0.48 0.12 0.81 5.08 -1.00 -1.22 114.58 119.21 1r6p h GLU 19 Ca 0.04 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 1r6p h GLU 19 Cb 0.75 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1r6p h GLU 19 CO 0.06 0.32 -1.12 0.74 -1.00 0.00 0.00 179.01 178.01 1r6p h PHE 20 N 0.49 0.47 -0.98 4.33 -1.00 -1.47 -3.33 116.94 115.46 1r6p h PHE 20 Ca 0.17 -0.35 0.13 0.00 2.81 0.00 0.00 57.97 60.74 1r6p h PHE 20 Cb 0.02 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 39.48 1r6p h PHE 20 CO -0.07 1.43 0.62 -0.22 -1.61 0.00 0.00 178.31 178.46 1r6p h LYS 21 N -0.36 0.87 -0.32 1.51 3.11 -0.22 0.69 116.57 121.84 1r6p h LYS 21 Ca -0.23 -0.05 0.02 0.00 -2.81 0.00 0.00 60.65 57.58 1r6p h LYS 21 Cb 1.69 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 32.69 1r6p h LYS 21 CO 0.09 0.58 0.16 0.00 -2.81 0.00 0.00 179.45 177.47 1r6p h ALA 22 N 1.56 0.39 0.00 5.00 0.00 -1.35 0.79 119.26 125.65 1r6p h ALA 22 Ca 0.49 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 1r6p h ALA 22 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1r6p h ALA 22 CO -0.26 -0.22 -0.61 0.00 0.00 0.00 0.00 179.25 178.16 1r6p h ALA 23 N 1.17 0.85 -0.51 0.00 0.00 -1.36 -3.13 119.26 116.28 1r6p h ALA 23 Ca 0.13 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1r6p h ALA 23 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1r6p h ALA 23 CO -0.09 0.76 0.04 0.35 0.00 0.00 0.00 179.25 180.31 1r6p h PHE 24 N 0.00 0.94 0.00 0.00 3.04 0.12 -1.88 116.94 119.16 1r6p h PHE 24 Ca -0.01 -0.15 -0.10 0.00 3.98 0.00 0.00 57.97 61.70 1r6p h PHE 24 Cb 1.18 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1r6p h PHE 24 CO 0.00 0.87 -0.46 0.38 -2.02 0.00 0.00 178.31 177.08 1r6p h ASP 25 N 0.75 0.00 0.38 0.41 3.04 -0.87 -1.57 116.42 118.56 1r6p h ASP 25 Ca 0.15 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.64 1r6p h ASP 25 Cb 0.47 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.78 1r6p h ASP 25 CO 0.02 0.46 -1.31 0.16 -2.04 0.00 0.00 179.24 176.53 1r6p h ILE 26 N 0.00 1.37 -0.05 4.15 3.07 -1.48 -1.40 117.51 123.17 1r6p h ILE 26 Ca -0.00 -2.78 -0.22 0.00 1.55 0.00 0.00 64.86 63.41 1r6p h ILE 26 Cb 0.98 2.90 0.00 0.00 -0.27 0.00 0.00 36.82 40.43 1r6p h ILE 26 CO 0.06 0.83 -0.86 -0.26 -1.05 0.00 0.00 178.15 176.86 1r6p h PHE 27 N 0.15 0.75 -0.56 0.16 0.04 -1.34 -3.14 116.94 113.00 1r6p h PHE 27 Ca -0.19 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1r6p h PHE 27 Cb 2.01 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 40.06 1r6p h PHE 27 CO 0.10 1.18 0.00 0.44 -0.60 0.00 0.00 178.31 179.42 1r6p n ILE 28 N -3.82 0.80 -0.33 -0.55 -6.64 -0.59 -4.47 119.36 103.75 1r6p n ILE 28 Ca -0.07 -0.76 0.16 0.00 -1.77 0.00 0.00 62.75 60.31 1r6p n ILE 28 Cb 0.79 0.35 0.36 0.00 -1.44 0.00 0.00 39.64 39.69 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 3.28 0.50 -0.64 6.28 4.15 -1.20 0.28 115.11 127.76 1r6p h GLN 29 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1r6p h GLN 29 Cb 0.78 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1r6p h GLN 29 CO 0.01 0.33 0.00 -0.40 -1.93 0.00 0.00 178.83 176.84 1r6p n ASP 30 N -4.95 4.50 -4.92 -0.69 5.75 -1.26 -4.96 116.55 110.02 1r6p n ASP 30 Ca 0.25 -2.36 -0.30 0.00 -0.01 0.00 0.00 54.79 52.37 1r6p n ASP 30 Cb 0.71 -0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 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 -1.68 3.98 -0.32 2.12 0.00 0.99 -5.03 121.76 121.82 1r6p s ALA 31 Ca 0.49 -0.87 0.11 0.00 0.00 0.00 0.00 51.96 51.69 1r6p s ALA 31 Cb 0.31 -1.85 0.46 0.00 0.00 0.00 0.00 23.12 22.04 1r6p s ALA 31 CO 0.25 0.73 1.13 0.39 0.00 0.00 0.00 175.76 178.26 1r6p n GLU 32 N 0.03 2.96 0.00 0.00 -0.58 -1.26 -4.77 120.64 117.01 1r6p n GLU 32 Ca -0.05 -4.03 0.00 0.00 -0.42 0.00 0.00 57.16 52.66 1r6p n GLU 32 Cb 0.52 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 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 -0.57 0.14 0.00 1.62 2.03 -1.26 -5.08 116.55 113.43 1r6p n ASP 33 Ca 0.32 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1r6p n ASP 33 Cb 0.85 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 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 1.97 0.96 3.55 0.27 0.00 -1.26 -5.14 105.19 105.53 1r6p n GLY 34 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.34 2.31 -0.40 0.00 -5.25 0.23 -4.79 121.20 112.96 1r6p s ILE 36 Ca -0.05 -0.44 -0.20 0.00 -0.99 0.00 0.00 60.65 58.97 1r6p s ILE 36 Cb -0.03 -2.87 0.01 0.00 2.95 0.00 0.00 42.46 42.53 1r6p s ILE 36 CO 0.05 0.00 0.63 -0.55 -1.79 0.00 0.00 174.94 173.28 1r6p s SER 37 N -4.59 6.36 0.27 4.36 0.15 -1.26 -1.61 113.70 117.38 1r6p s SER 37 Ca 0.63 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1r6p s SER 37 Cb -0.08 -2.32 0.52 0.00 -1.71 0.00 0.00 66.02 62.43 1r6p s SER 37 CO 0.44 -0.68 1.83 0.71 1.20 0.00 0.00 173.24 176.74 1r6p h THR 38 N 5.78 0.92 0.00 6.45 1.35 -1.87 0.19 112.91 125.72 1r6p h THR 38 Ca -0.26 -0.33 -0.04 0.00 -0.55 0.00 0.00 66.41 65.24 1r6p h THR 38 Cb 1.10 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 1r6p h THR 38 CO 0.86 0.17 -0.17 0.07 -0.25 0.00 0.00 175.52 176.20 1r6p h LYS 39 N 0.96 0.00 -0.54 4.72 5.09 -1.92 -1.99 116.57 122.89 1r6p h LYS 39 Ca 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 61.16 1r6p h LYS 39 Cb 0.46 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.76 1r6p h LYS 39 CO -0.26 0.17 0.07 0.39 -2.09 0.00 0.00 179.45 177.73 1r6p n GLU 40 N -3.69 4.04 0.00 0.07 -0.58 0.56 -4.45 120.64 116.58 1r6p n GLU 40 Ca -0.02 -3.08 0.10 0.00 -0.42 0.00 0.00 57.16 53.74 1r6p n GLU 40 Cb 0.29 -2.14 0.46 0.00 -0.57 0.00 0.00 31.44 29.48 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1r6p n LEU 41 N 0.09 0.00 -0.26 -4.62 0.00 -0.61 -3.23 117.00 108.37 1r6p n LEU 41 Ca 0.30 0.42 0.08 0.00 0.00 0.00 0.00 56.01 56.81 1r6p n LEU 41 Cb 1.18 -0.42 0.33 0.00 0.00 0.00 0.00 43.42 44.50 1r6p n LEU 41 CO 0.31 -0.13 1.23 1.23 0.00 0.00 0.00 177.39 180.03 1r6p h GLY 42 N 3.45 1.18 2.00 -3.96 0.00 -1.81 0.46 103.07 104.39 1r6p h GLY 42 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1r6p h GLY 42 CO 0.00 0.19 -0.07 0.50 0.00 0.00 0.00 176.54 177.16 1r6p h LYS 43 N 0.82 0.00 0.07 4.80 1.79 -1.94 -2.48 116.57 119.64 1r6p h LYS 43 Ca 0.39 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.62 1r6p h LYS 43 Cb 0.43 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1r6p h LYS 43 CO -0.16 0.07 -1.29 0.28 -1.08 0.00 0.00 179.45 177.26 1r6p h VAL 44 N 0.00 1.03 -0.68 0.50 2.07 -0.69 -3.27 116.25 115.21 1r6p h VAL 44 Ca -0.00 -2.32 0.10 0.00 0.82 0.00 0.00 66.70 65.30 1r6p h VAL 44 Cb 0.56 2.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.87 1r6p h VAL 44 CO 0.01 0.60 0.30 0.24 0.02 0.00 0.00 177.57 178.74 1r6p h MET 45 N -0.53 0.49 -0.31 1.57 2.86 -0.21 0.29 114.93 119.09 1r6p h MET 45 Ca -0.30 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1r6p h MET 45 Cb 1.58 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 1r6p h MET 45 CO -0.02 0.32 0.10 0.07 1.06 0.00 0.00 176.91 178.45 1r6p h ARG 46 N 0.50 0.44 -0.00 1.72 0.11 -1.01 0.63 114.38 116.77 1r6p h ARG 46 Ca 0.34 -0.06 -0.19 0.00 0.10 0.00 0.00 59.98 60.18 1r6p h ARG 46 Cb 0.41 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 1r6p h ARG 46 CO -0.30 0.38 -0.84 0.52 0.10 0.00 0.00 179.97 179.84 1r6p h MET 47 N 0.44 0.15 0.01 0.08 2.86 -0.93 -3.20 114.93 114.34 1r6p h MET 47 Ca 0.11 -0.15 -0.20 0.00 -2.06 0.00 0.00 59.70 57.39 1r6p h MET 47 Cb 0.12 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1r6p h MET 47 CO -0.01 0.90 -0.93 -0.07 1.06 0.00 0.00 176.91 177.86 1r6p h LEU 48 N 0.08 0.11 0.00 1.22 4.07 0.32 -3.48 115.31 117.63 1r6p h LEU 48 Ca -0.03 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1r6p h LEU 48 Cb 1.45 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.16 1r6p h LEU 48 CO 0.12 0.97 0.00 0.61 -1.08 0.00 0.00 178.44 179.06 1r6p n GLY 49 N 1.06 1.83 3.17 0.83 0.00 0.73 -5.08 105.19 107.73 1r6p n GLY 49 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.05 0.82 -0.43 1.61 -1.52 0.19 -4.99 119.66 115.28 1r6p s GLN 50 Ca 0.00 -1.07 0.08 0.00 -1.95 0.00 0.00 55.36 52.42 1r6p s GLN 50 Cb 0.00 -0.62 0.28 0.00 -0.22 0.00 0.00 33.01 32.45 1r6p s GLN 50 CO 0.00 0.11 0.81 0.27 -0.25 0.00 0.00 175.29 176.23 1r6p n ASN 51 N 0.84 -1.19 -2.55 5.90 0.23 -1.26 -2.29 115.26 114.93 1r6p n ASN 51 Ca -0.18 -3.17 0.00 0.00 -0.53 0.00 0.00 54.58 50.70 1r6p n ASN 51 Cb 0.56 0.69 0.00 0.00 -2.08 0.00 0.00 39.78 38.96 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1r6p n PRO 52 N 1.02 1.34 -3.03 -0.53 -0.04 -1.26 -5.11 135.00 127.39 1r6p n PRO 52 Ca 0.15 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 1r6p n PRO 52 Cb 0.62 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.12 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 0.30 2.59 0.14 0.52 -4.23 -1.26 -4.92 115.64 108.79 1r6p s THR 53 Ca 0.00 -1.01 0.14 0.00 -1.18 0.00 0.00 61.69 59.64 1r6p s THR 53 Cb 0.00 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.27 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 0.43 0.00 0.12 3.99 0.13 -1.99 0.19 132.00 134.88 1r6p h PRO 54 Ca -0.35 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.50 1r6p h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1r6p h PRO 54 CO 0.43 0.55 -1.30 1.05 -0.23 0.00 0.00 178.00 178.50 1r6p h GLU 55 N 0.00 0.26 0.06 0.86 4.11 -2.01 -3.09 114.58 114.78 1r6p h GLU 55 Ca -0.01 -0.44 -0.24 0.00 0.07 0.00 0.00 59.36 58.74 1r6p h GLU 55 Cb 1.15 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1r6p h GLU 55 CO 0.07 1.19 -1.08 1.49 0.07 0.00 0.00 179.01 180.75 1r6p h GLU 56 N 0.07 0.24 -0.37 1.06 4.81 -1.94 -3.20 114.58 115.25 1r6p h GLU 56 Ca -0.16 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1r6p h GLU 56 Cb 1.98 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.45 1r6p h GLU 56 CO 0.19 1.12 0.22 1.25 -0.73 0.00 0.00 179.01 181.06 1r6p h LEU 57 N 0.10 0.35 -0.96 1.64 7.12 -0.70 -2.03 115.31 120.84 1r6p h LEU 57 Ca -0.09 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.00 1r6p h LEU 57 Cb 1.78 -0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 41.77 1r6p h LEU 57 CO 0.17 0.26 0.61 -0.61 -0.13 0.00 0.00 178.44 178.74 1r6p h GLN 58 N 0.45 1.04 -0.73 1.25 5.75 -1.59 -1.20 115.11 120.07 1r6p h GLN 58 Ca 0.15 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1r6p h GLN 58 Cb 0.00 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.27 1r6p h GLN 58 CO -0.07 0.69 0.45 0.93 -2.65 0.00 0.00 178.83 178.18 1r6p h GLU 59 N 1.07 0.84 -0.74 1.69 5.08 -1.38 -0.54 114.58 120.61 1r6p h GLU 59 Ca 0.43 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1r6p h GLU 59 Cb 0.25 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1r6p h GLU 59 CO -0.20 0.56 0.27 0.52 -1.00 0.00 0.00 179.01 179.16 1r6p h MET 60 N 0.87 1.11 0.35 2.33 2.86 -0.82 -2.12 114.93 119.51 1r6p h MET 60 Ca 0.30 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1r6p h MET 60 Cb 0.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1r6p h MET 60 CO -0.13 0.92 -0.17 0.82 1.06 0.00 0.00 176.91 179.41 1r6p h ILE 61 N 1.08 0.66 -0.76 -1.22 1.08 -0.26 -2.54 117.51 115.55 1r6p h ILE 61 Ca 0.24 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.75 1r6p h ILE 61 Cb 0.24 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 1r6p h ILE 61 CO -0.02 0.01 0.50 0.44 -0.69 0.00 0.00 178.15 178.39 1r6p h ASP 62 N -0.50 0.61 -0.36 1.72 3.32 -0.99 0.64 116.42 120.86 1r6p h ASP 62 Ca -0.05 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1r6p h ASP 62 Cb 0.38 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1r6p h ASP 62 CO 0.08 0.37 0.20 -0.33 -1.72 0.00 0.00 179.24 177.84 1r6p h GLU 63 N 0.68 0.50 0.00 3.56 5.08 -1.06 -3.07 114.58 120.28 1r6p h GLU 63 Ca 0.35 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 1r6p h GLU 63 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1r6p h GLU 63 CO -0.13 0.41 -1.19 -0.24 -1.00 0.00 0.00 179.01 176.86 1r6p h VAL 64 N 0.47 1.31 -2.64 3.13 3.04 -0.99 -3.43 116.25 117.13 1r6p h VAL 64 Ca 0.13 -3.02 -0.54 0.00 -1.01 0.00 0.00 66.70 62.25 1r6p h VAL 64 Cb 0.04 2.64 -0.05 0.00 -2.01 0.00 0.00 31.29 31.91 1r6p h VAL 64 CO -0.02 0.75 1.20 -0.62 -1.01 0.00 0.00 177.57 177.86 1r6p s ASP 65 N -6.45 5.89 0.32 3.17 -1.08 0.22 -4.86 116.67 113.89 1r6p s ASP 65 Ca -0.01 0.60 0.06 0.00 -0.52 0.00 0.00 52.55 52.68 1r6p s ASP 65 Cb 0.09 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.58 1r6p s ASP 65 CO 0.81 -1.83 1.80 1.05 0.52 0.00 0.00 175.17 177.52 1r6p h GLU 66 N 12.37 0.38 0.00 4.34 -0.00 -1.85 -3.25 114.58 126.57 1r6p h GLU 66 Ca -0.28 -0.12 -0.38 0.00 -0.00 0.00 0.00 59.36 58.58 1r6p h GLU 66 Cb 1.13 -0.04 -0.07 0.00 -0.00 0.00 0.00 28.75 29.77 1r6p h GLU 66 CO 1.14 0.56 -2.42 -0.40 -0.00 0.00 0.00 179.01 177.90 1r6p n ASP 67 N -4.18 0.90 -1.61 3.06 5.75 -1.26 -5.03 116.55 114.17 1r6p n ASP 67 Ca -0.00 -0.05 -0.06 0.00 -0.01 0.00 0.00 54.79 54.67 1r6p n ASP 67 Cb 0.34 0.35 0.03 0.00 -1.03 0.00 0.00 41.12 40.81 1r6p n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r6p n GLY 68 N 1.97 0.31 0.14 6.12 0.00 -1.23 -4.97 105.19 107.53 1r6p n GLY 68 Ca -0.38 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.32 1r6p n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r6p h SER 69 N -0.63 0.00 0.00 1.61 4.64 -1.96 -3.47 113.55 113.74 1r6p h SER 69 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1r6p h SER 69 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1r6p h SER 69 CO 0.15 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1r6p n GLY 70 N 1.23 1.22 2.86 -0.77 0.00 -1.26 -5.10 105.19 103.38 1r6p n GLY 70 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.30 2.61 -4.23 -1.26 -2.84 115.64 107.58 1r6p s THR 71 Ca 0.00 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.45 1r6p s THR 71 Cb 0.00 -0.11 -0.02 0.00 1.34 0.00 0.00 72.50 73.71 1r6p s THR 71 CO 0.00 0.05 0.52 -0.69 -0.54 0.00 0.00 174.62 173.96 1r6p s VAL 72 N 0.67 5.03 0.62 2.29 1.01 -0.64 -4.84 120.40 124.55 1r6p s VAL 72 Ca -0.05 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1r6p s VAL 72 Cb -0.08 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1r6p s VAL 72 CO -0.02 -0.06 0.93 -1.81 0.00 0.00 0.00 175.10 174.13 1r6p s ASP 73 N 1.65 5.32 0.34 3.32 1.11 -1.26 -0.60 116.67 126.55 1r6p s ASP 73 Ca 0.20 0.57 0.05 0.00 0.18 0.00 0.00 52.55 53.55 1r6p s ASP 73 Cb -0.15 -1.45 0.69 0.00 1.07 0.00 0.00 42.92 43.08 1r6p s ASP 73 CO 0.11 -1.24 1.92 0.15 1.18 0.00 0.00 175.17 177.29 1r6p h PHE 74 N -0.29 0.88 -0.54 4.23 3.57 -1.98 0.57 116.94 123.38 1r6p h PHE 74 Ca -0.45 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1r6p h PHE 74 Cb 1.28 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1r6p h PHE 74 CO 0.42 0.42 0.25 0.22 -2.23 0.00 0.00 178.31 177.39 1r6p h ASP 75 N 0.83 0.73 1.45 0.41 3.58 -1.95 -1.98 116.42 119.49 1r6p h ASP 75 Ca 0.38 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1r6p h ASP 75 Cb 0.37 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1r6p h ASP 75 CO -0.15 0.67 0.00 -0.33 -2.88 0.00 0.00 179.24 176.55 1r6p h GLU 76 N 0.73 0.00 -0.03 0.28 5.08 -1.53 -3.26 114.58 115.86 1r6p h GLU 76 Ca 0.18 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 1r6p h GLU 76 Cb 0.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1r6p h GLU 76 CO -0.02 0.00 -0.65 0.35 -1.00 0.00 0.00 179.01 177.69 1r6p h PHE 77 N 0.00 0.72 0.00 4.33 3.57 0.79 -3.18 116.94 123.17 1r6p h PHE 77 Ca 0.00 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 1r6p h PHE 77 Cb 0.72 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1r6p h PHE 77 CO 0.00 1.18 -0.16 -0.07 -2.23 0.00 0.00 178.31 177.03 1r6p h LEU 78 N 0.05 0.00 -0.12 0.59 -0.00 -1.46 -3.14 115.31 111.23 1r6p h LEU 78 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.71 1r6p h LEU 78 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1r6p h LEU 78 CO 0.13 0.16 -0.30 0.58 -0.00 0.00 0.00 178.44 179.01 1r6p h VAL 79 N 0.00 1.38 -1.19 1.22 2.07 -1.62 -3.15 116.25 114.96 1r6p h VAL 79 Ca -0.00 -1.60 0.44 0.00 0.82 0.00 0.00 66.70 66.36 1r6p h VAL 79 Cb 0.75 2.10 -0.16 0.00 -1.52 0.00 0.00 31.29 32.46 1r6p h VAL 79 CO 0.02 0.47 0.72 -0.03 0.02 0.00 0.00 177.57 178.77 1r6p h MET 80 N -0.00 0.02 0.47 1.57 -1.53 -1.52 1.01 114.93 114.95 1r6p h MET 80 Ca -0.00 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1r6p h MET 80 Cb 0.91 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.96 1r6p h MET 80 CO 0.07 0.01 -0.23 1.98 0.14 0.00 0.00 176.91 178.88 1r6p h MET 81 N 0.02 -0.61 -0.08 0.39 -1.53 -1.68 -2.86 114.93 108.58 1r6p h MET 81 Ca 0.86 0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 57.14 1r6p h MET 81 Cb 2.52 0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 33.70 1r6p h MET 81 CO -0.61 -0.41 -0.04 -0.39 0.14 0.00 0.00 176.91 175.61 1r6p h VAL 82 N -1.15 1.08 -0.76 -5.77 -1.51 -1.07 0.84 116.25 107.91 1r6p h VAL 82 Ca -0.06 -0.33 -0.05 0.00 -1.23 0.00 0.00 66.70 65.02 1r6p h VAL 82 Cb 0.49 1.06 -0.03 0.00 -2.13 0.00 0.00 31.29 30.67 1r6p h VAL 82 CO 0.11 0.10 0.27 0.03 -1.23 0.00 0.00 177.57 176.85 1r6p h ARG 83 N 0.11 1.16 0.21 5.19 3.08 0.91 0.50 114.38 125.54 1r6p h ARG 83 Ca 0.03 -0.23 -0.34 0.00 0.07 0.00 0.00 59.98 59.51 1r6p h ARG 83 Cb 0.14 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.04 1r6p h ARG 83 CO 0.01 0.96 -1.61 0.00 -1.07 0.00 0.00 179.97 178.25 1r6p h MET 85 N 0.12 0.32 -5.20 0.00 4.05 -0.78 -3.43 114.93 110.01 1r6p h MET 85 Ca -0.30 -0.15 -0.61 0.00 -0.28 0.00 0.00 59.70 58.37 1r6p h MET 85 Cb 2.13 -0.00 -0.32 0.00 -0.80 0.00 0.00 31.60 32.60 1r6p h MET 85 CO 0.22 0.67 -0.85 0.21 0.23 0.00 0.00 176.91 177.39 1r6p s LYS 86 N -4.46 2.31 -0.31 0.39 2.36 0.17 -5.00 119.74 115.20 1r6p s LYS 86 Ca -0.14 -0.69 0.06 0.00 -2.55 0.00 0.00 55.97 52.65 1r6p s LYS 86 Cb 0.05 -1.85 0.23 0.00 -1.05 0.00 0.00 37.83 35.20 1r6p s LYS 86 CO 0.74 0.18 1.18 -0.40 1.55 0.00 0.00 175.35 178.60 1r6p n ASP 87 N 3.44 -1.33 -2.82 1.43 5.68 -1.26 -4.07 116.55 117.62 1r6p n ASP 87 Ca -0.20 -1.95 -0.06 0.00 -0.50 0.00 0.00 54.79 52.08 1r6p n ASP 87 Cb 0.52 0.84 0.01 0.00 -1.14 0.00 0.00 41.12 41.35 1r6p n ASP 87 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1r6p n ASP 88 N -0.65 -7.96 0.00 -1.12 8.00 -1.26 -5.16 116.55 108.40 1r6p n ASP 88 Ca -0.14 0.80 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1r6p n ASP 88 Cb 0.74 -5.32 0.00 0.00 -0.02 0.00 0.00 41.12 36.52 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57