#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 1.98 -1.53 7.83 6.94 -1.26 -4.66 115.26 124.56 1r6p n ASN 2 Ca 0.00 -3.87 -0.10 0.00 -0.02 0.00 0.00 54.58 50.59 1r6p n ASN 2 Cb 0.00 -0.57 0.20 0.00 -2.36 0.00 0.00 39.78 37.05 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1r6p n ASP 3 N -1.12 2.98 0.03 0.53 2.03 -1.26 -4.51 116.55 115.23 1r6p n ASP 3 Ca 0.24 -3.70 -0.10 0.00 0.52 0.00 0.00 54.79 51.75 1r6p n ASP 3 Cb 0.82 -0.70 -0.13 0.00 -0.72 0.00 0.00 41.12 40.38 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1r6p h ILE 4 N 1.07 1.25 -0.28 5.18 -0.00 -1.99 -2.68 117.51 120.07 1r6p h ILE 4 Ca 0.35 -3.00 -0.16 0.00 -0.00 0.00 0.00 64.86 62.06 1r6p h ILE 4 Cb 2.07 2.67 -0.01 0.00 -0.00 0.00 0.00 36.82 41.55 1r6p h ILE 4 CO 0.63 0.76 -0.46 1.88 -0.00 0.00 0.00 178.15 180.96 1r6p h TYR 5 N 0.02 0.89 0.00 0.16 0.05 -1.97 -3.02 116.97 113.09 1r6p h TYR 5 Ca -0.17 -0.28 -0.15 0.00 0.05 0.00 0.00 58.73 58.17 1r6p h TYR 5 Cb 1.92 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 39.46 1r6p h TYR 5 CO 0.02 1.05 -0.73 0.87 -1.05 0.00 0.00 178.16 178.32 1r6p h LYS 6 N 0.58 0.00 0.00 4.88 1.57 -1.86 -3.02 116.57 118.72 1r6p h LYS 6 Ca 0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1r6p h LYS 6 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1r6p h LYS 6 CO 0.10 0.73 -0.18 0.00 -0.57 0.00 0.00 179.45 179.53 1r6p h ALA 7 N 1.27 1.57 0.14 3.86 0.00 -1.35 -1.68 119.26 123.08 1r6p h ALA 7 Ca -0.01 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 1r6p h ALA 7 Cb 1.35 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1r6p h ALA 7 CO 0.09 0.23 -1.21 0.00 0.00 0.00 0.00 179.25 178.36 1r6p h ALA 8 N 1.82 0.04 0.00 0.00 0.00 -1.49 -3.24 119.26 116.39 1r6p h ALA 8 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 1r6p h ALA 8 Cb 0.35 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1r6p h ALA 8 CO 0.02 0.65 -0.11 -0.24 0.00 0.00 0.00 179.25 179.57 1r6p h VAL 9 N -0.26 0.48 0.00 0.00 3.04 -1.40 0.17 116.25 118.28 1r6p h VAL 9 Ca -0.24 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 1r6p h VAL 9 Cb 1.78 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.43 1r6p h VAL 9 CO 0.12 0.11 -0.15 1.05 -1.01 0.00 0.00 177.57 177.69 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.41 -3.33 114.58 118.13 1r6p h GLU 10 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1r6p h GLU 10 Cb 0.36 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.39 1r6p h GLU 10 CO 0.01 0.00 -0.80 0.00 0.07 0.00 0.00 179.01 178.29 1r6p n GLN 11 N -2.77 0.67 -1.85 1.06 10.64 -0.71 -5.09 117.38 119.33 1r6p n GLN 11 Ca 0.04 -2.54 -0.30 0.00 -1.83 0.00 0.00 57.00 52.38 1r6p n GLN 11 Cb 0.50 -0.69 0.16 0.00 -0.86 0.00 0.00 30.24 29.35 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 -1.37 2.50 0.44 2.61 0.05 0.52 -5.00 118.68 118.44 1r6p s LEU 12 Ca 0.35 0.46 0.03 0.00 0.05 0.00 0.00 54.13 55.02 1r6p s LEU 12 Cb 0.38 -2.62 0.00 0.00 -2.05 0.00 0.00 46.19 41.90 1r6p s LEU 12 CO -0.13 -2.59 0.63 0.42 -0.55 0.00 0.00 176.35 174.14 1r6p s THR 13 N -3.72 3.64 0.28 5.48 -4.23 -1.26 -5.00 115.64 110.82 1r6p s THR 13 Ca 0.70 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1r6p s THR 13 Cb -0.07 -3.31 0.03 0.00 1.34 0.00 0.00 72.50 70.49 1r6p s THR 13 CO 0.52 -0.19 1.68 0.44 -0.54 0.00 0.00 174.62 176.53 1r6p h ASP 14 N 0.48 0.28 0.21 3.99 3.32 -1.99 -2.49 116.42 120.21 1r6p h ASP 14 Ca -0.45 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.40 1r6p h ASP 14 Cb 1.27 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1r6p h ASP 14 CO 0.54 0.68 -0.34 -0.33 -1.72 0.00 0.00 179.24 178.07 1r6p h GLU 15 N 0.22 0.19 -0.15 3.56 5.08 -1.98 0.19 114.58 121.68 1r6p h GLU 15 Ca 0.02 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1r6p h GLU 15 Cb 0.85 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1r6p h GLU 15 CO 0.07 0.51 -0.13 1.96 -1.00 0.00 0.00 179.01 180.41 1r6p h GLN 16 N 0.17 0.36 -0.34 2.33 4.20 -1.86 0.53 115.11 120.50 1r6p h GLN 16 Ca 0.02 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1r6p h GLN 16 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1r6p h GLN 16 CO 0.05 0.73 0.11 0.87 -0.67 0.00 0.00 178.83 179.92 1r6p h LYS 17 N 0.01 0.52 -0.24 1.46 1.57 -1.29 -2.70 116.57 115.89 1r6p h LYS 17 Ca 0.03 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1r6p h LYS 17 Cb 0.65 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1r6p h LYS 17 CO 0.03 0.55 -0.11 -0.91 -0.57 0.00 0.00 179.45 178.44 1r6p h ASN 18 N 0.39 0.38 -0.30 0.86 4.21 -0.95 0.37 115.58 120.54 1r6p h ASN 18 Ca 0.11 -0.09 0.05 0.00 1.21 0.00 0.00 56.30 57.59 1r6p h ASN 18 Cb 0.24 -0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 37.29 1r6p h ASN 18 CO -0.00 0.53 0.00 -0.08 -1.29 0.00 0.00 177.43 176.58 1r6p h GLU 19 N 0.38 0.09 0.11 0.81 4.57 -0.56 -0.13 114.58 119.85 1r6p h GLU 19 Ca 0.07 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.02 1r6p h GLU 19 Cb 0.42 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1r6p h GLU 19 CO 0.02 0.06 -1.12 0.74 -1.18 0.00 0.00 179.01 177.53 1r6p h PHE 20 N 0.09 0.43 -0.78 0.92 0.04 -1.38 -3.35 116.94 112.91 1r6p h PHE 20 Ca 0.15 -0.31 0.17 0.00 2.80 0.00 0.00 57.97 60.77 1r6p h PHE 20 Cb 0.20 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 1r6p h PHE 20 CO -0.22 1.44 0.53 -0.22 -0.60 0.00 0.00 178.31 179.23 1r6p h LYS 21 N -0.40 0.33 0.44 1.51 1.63 -0.21 0.58 116.57 120.45 1r6p h LYS 21 Ca -0.23 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 1r6p h LYS 21 Cb 1.65 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 1r6p h LYS 21 CO 0.07 0.22 -0.21 0.00 -3.45 0.00 0.00 179.45 176.08 1r6p h ALA 22 N 1.64 -0.59 -0.56 5.00 0.00 -1.14 0.97 119.26 124.57 1r6p h ALA 22 Ca 0.39 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1r6p h ALA 22 Cb 1.01 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1r6p h ALA 22 CO -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 179.25 178.35 1r6p h ALA 23 N -0.08 0.99 -0.48 0.00 0.00 -1.43 -2.82 119.26 115.44 1r6p h ALA 23 Ca -0.06 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1r6p h ALA 23 Cb 0.48 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1r6p h ALA 23 CO 0.10 0.62 0.13 0.35 0.00 0.00 0.00 179.25 180.45 1r6p h PHE 24 N 0.87 0.23 -0.53 0.00 3.04 0.41 0.25 116.94 121.21 1r6p h PHE 24 Ca 0.17 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.16 1r6p h PHE 24 Cb 0.47 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1r6p h PHE 24 CO 0.03 0.05 0.34 0.22 -2.02 0.00 0.00 178.31 176.92 1r6p h ASP 25 N 0.29 0.57 -0.09 0.41 3.58 -0.56 0.10 116.42 120.71 1r6p h ASP 25 Ca 0.23 -0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.47 1r6p h ASP 25 Cb 0.28 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.20 1r6p h ASP 25 CO -0.27 0.41 -0.73 0.16 -2.88 0.00 0.00 179.24 175.93 1r6p h ILE 26 N 0.68 1.29 -0.10 2.25 3.07 -1.27 -1.01 117.51 122.42 1r6p h ILE 26 Ca 0.20 -1.95 -0.12 0.00 1.55 0.00 0.00 64.86 64.54 1r6p h ILE 26 Cb -0.04 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.44 1r6p h ILE 26 CO -0.07 0.62 -0.49 -0.26 -1.05 0.00 0.00 178.15 176.91 1r6p h PHE 27 N 0.51 0.31 -0.52 0.16 0.04 -0.35 -2.89 116.94 114.21 1r6p h PHE 27 Ca -0.04 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1r6p h PHE 27 Cb 1.34 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1r6p h PHE 27 CO 0.08 0.70 0.00 0.44 -0.60 0.00 0.00 178.31 178.92 1r6p n ILE 28 N -3.97 0.69 -0.33 -0.55 -6.64 0.33 -4.43 119.36 104.47 1r6p n ILE 28 Ca -0.02 -0.79 0.11 0.00 -1.77 0.00 0.00 62.75 60.28 1r6p n ILE 28 Cb 0.53 0.64 0.31 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 3.97 0.80 -0.02 6.28 4.15 -0.95 0.15 115.11 129.48 1r6p h GLN 29 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1r6p h GLN 29 Cb 0.89 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1r6p h GLN 29 CO 0.00 0.53 -0.03 -3.47 -1.93 0.00 0.00 178.83 173.93 1r6p n ASP 30 N -4.63 1.60 -4.92 -0.69 2.03 -1.26 -4.90 116.55 103.78 1r6p n ASP 30 Ca 0.20 -1.49 -0.30 0.00 0.52 0.00 0.00 54.79 53.72 1r6p n ASP 30 Cb 0.46 0.02 -0.04 0.00 -0.72 0.00 0.00 41.12 40.84 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 -2.06 3.97 -0.27 -1.67 0.00 0.51 -5.03 121.76 117.22 1r6p s ALA 31 Ca 0.35 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.56 1r6p s ALA 31 Cb 0.21 -1.85 0.46 0.00 0.00 0.00 0.00 23.12 21.94 1r6p s ALA 31 CO 0.35 0.74 1.18 -0.85 0.00 0.00 0.00 175.76 177.18 1r6p n GLU 32 N 0.06 3.05 0.00 0.00 0.28 -1.26 -4.74 120.64 118.03 1r6p n GLU 32 Ca -0.05 -3.94 0.00 0.00 -0.16 0.00 0.00 57.16 53.01 1r6p n GLU 32 Cb 0.52 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.32 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1r6p n ASP 33 N -0.70 0.91 0.00 -1.84 2.03 -1.26 -5.07 116.55 110.62 1r6p n ASP 33 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1r6p n ASP 33 Cb 0.92 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 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 2.41 1.11 3.28 0.27 0.00 -1.26 -5.15 105.19 105.85 1r6p n GLY 34 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.08 2.07 -0.43 0.00 -5.25 0.30 -4.68 121.20 113.12 1r6p s ILE 36 Ca -0.02 -0.14 -0.21 0.00 -0.99 0.00 0.00 60.65 59.29 1r6p s ILE 36 Cb -0.03 -2.93 0.02 0.00 2.95 0.00 0.00 42.46 42.47 1r6p s ILE 36 CO 0.01 0.00 0.63 -0.55 -1.79 0.00 0.00 174.94 173.25 1r6p s SER 37 N -4.75 6.32 0.39 4.36 0.15 -1.26 -1.55 113.70 117.37 1r6p s SER 37 Ca 0.68 -0.32 0.11 0.00 0.70 0.00 0.00 55.95 57.12 1r6p s SER 37 Cb -0.06 -2.32 0.90 0.00 -1.71 0.00 0.00 66.02 62.83 1r6p s SER 37 CO 0.50 -0.76 1.93 0.71 1.20 0.00 0.00 173.24 176.81 1r6p h THR 38 N 5.86 0.89 -0.27 6.45 1.35 -1.82 0.26 112.91 125.64 1r6p h THR 38 Ca -0.25 -0.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 1r6p h THR 38 Cb 1.10 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1r6p h THR 38 CO 0.89 0.11 -0.07 0.11 -0.25 0.00 0.00 175.52 176.31 1r6p h LYS 39 N 0.58 0.43 -0.63 4.72 1.57 -1.91 -1.67 116.57 119.66 1r6p h LYS 39 Ca 0.35 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1r6p h LYS 39 Cb 0.58 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1r6p h LYS 39 CO -0.13 0.51 0.00 0.39 -0.57 0.00 0.00 179.45 179.65 1r6p n GLU 40 N -4.26 4.48 0.23 3.15 -0.58 0.79 -4.34 120.64 120.11 1r6p n GLU 40 Ca 0.01 -2.83 0.16 0.00 -0.42 0.00 0.00 57.16 54.07 1r6p n GLU 40 Cb 0.27 -2.18 0.65 0.00 -0.57 0.00 0.00 31.44 29.61 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r6p h LEU 41 N 3.61 0.00 -1.13 -4.62 5.85 -0.18 -2.87 115.31 115.96 1r6p h LEU 41 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1r6p h LEU 41 Cb 1.82 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.79 1r6p h LEU 41 CO 0.44 0.00 0.59 1.23 -0.34 0.00 0.00 178.44 180.36 1r6p h GLY 42 N 1.94 1.30 2.00 3.75 0.00 -1.80 0.49 103.07 110.75 1r6p h GLY 42 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1r6p h GLY 42 CO 0.00 0.36 -0.17 0.50 0.00 0.00 0.00 176.54 177.23 1r6p h LYS 43 N 1.10 0.00 0.02 4.80 1.79 -1.86 -1.93 116.57 120.49 1r6p h LYS 43 Ca 0.37 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.68 1r6p h LYS 43 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1r6p h LYS 43 CO -0.12 0.17 -0.82 0.28 -1.08 0.00 0.00 179.45 177.89 1r6p h VAL 44 N 0.00 1.27 -0.78 0.50 2.07 -1.05 -3.10 116.25 115.16 1r6p h VAL 44 Ca -0.00 -2.29 0.11 0.00 0.82 0.00 0.00 66.70 65.34 1r6p h VAL 44 Cb 0.52 2.76 -0.08 0.00 -1.52 0.00 0.00 31.29 32.97 1r6p h VAL 44 CO 0.02 0.50 0.40 0.24 0.02 0.00 0.00 177.57 178.76 1r6p h MET 45 N -0.86 0.63 -0.19 1.57 2.86 -0.07 0.22 114.93 119.09 1r6p h MET 45 Ca -0.21 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1r6p h MET 45 Cb 1.29 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1r6p h MET 45 CO -0.08 0.42 -0.24 0.00 1.06 0.00 0.00 176.91 178.07 1r6p h ARG 46 N 0.65 0.35 -0.21 1.72 2.47 -0.68 0.27 114.38 118.94 1r6p h ARG 46 Ca 0.40 -0.12 -0.11 0.00 -1.26 0.00 0.00 59.98 58.89 1r6p h ARG 46 Cb 0.47 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1r6p h ARG 46 CO -0.30 0.57 -0.34 1.98 0.56 0.00 0.00 179.97 182.44 1r6p h MET 47 N 0.31 0.45 -0.04 0.04 4.05 -0.70 -2.73 114.93 116.31 1r6p h MET 47 Ca 0.05 -0.20 -0.15 0.00 -0.28 0.00 0.00 59.70 59.12 1r6p h MET 47 Cb 0.59 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1r6p h MET 47 CO 0.04 0.74 -0.65 -0.07 0.23 0.00 0.00 176.91 177.20 1r6p h LEU 48 N 0.39 0.21 0.00 3.39 4.07 -0.14 -3.47 115.31 119.75 1r6p h LEU 48 Ca 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1r6p h LEU 48 Cb 0.78 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1r6p h LEU 48 CO 0.06 0.80 0.00 0.61 -1.08 0.00 0.00 178.44 178.83 1r6p n GLY 49 N 0.36 1.57 3.01 0.83 0.00 -0.50 -5.10 105.19 105.36 1r6p n GLY 49 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 1.15 -0.59 1.61 -1.52 0.84 -4.98 119.66 116.16 1r6p s GLN 50 Ca 0.00 -0.34 0.06 0.00 -1.95 0.00 0.00 55.36 53.13 1r6p s GLN 50 Cb 0.00 -1.04 0.24 0.00 -0.22 0.00 0.00 33.01 32.00 1r6p s GLN 50 CO 0.00 0.10 0.68 -1.71 -0.25 0.00 0.00 175.29 174.11 1r6p n ASN 51 N 3.40 2.93 -2.26 5.90 2.85 -1.26 -1.96 115.26 124.85 1r6p n ASN 51 Ca -0.19 -3.26 0.00 0.00 -0.11 0.00 0.00 54.58 51.01 1r6p n ASN 51 Cb 0.53 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r6p n PRO 52 N 1.05 1.33 -3.43 1.20 -0.04 -1.26 -5.12 135.00 128.73 1r6p n PRO 52 Ca 0.28 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.52 1r6p n PRO 52 Cb 0.43 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.36 2.20 0.01 0.52 -4.23 -1.26 -4.95 115.64 108.29 1r6p s THR 53 Ca 0.00 -1.24 0.22 0.00 -1.18 0.00 0.00 61.69 59.49 1r6p s THR 53 Cb 0.00 -2.44 0.20 0.00 1.34 0.00 0.00 72.50 71.60 1r6p s THR 53 CO 0.00 0.00 1.71 1.55 -0.54 0.00 0.00 174.62 177.34 1r6p h PRO 54 N 0.61 0.00 0.22 3.99 0.13 -2.00 -0.35 132.00 134.61 1r6p h PRO 54 Ca -0.36 0.00 -0.29 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 0.50 0.27 -1.27 0.93 -0.23 0.00 0.00 178.00 178.20 1r6p h GLU 55 N 0.00 0.47 -0.27 0.86 4.39 -1.99 -2.97 114.58 115.06 1r6p h GLU 55 Ca -0.00 -0.80 -0.16 0.00 0.34 0.00 0.00 59.36 58.74 1r6p h GLU 55 Cb 0.93 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1r6p h GLU 55 CO 0.04 1.38 -0.48 1.49 -1.16 0.00 0.00 179.01 180.28 1r6p h GLU 56 N -0.02 0.74 -0.44 2.33 4.57 -1.95 -1.68 114.58 118.13 1r6p h GLU 56 Ca -0.22 -0.43 0.02 0.00 -1.18 0.00 0.00 59.36 57.55 1r6p h GLU 56 Cb 2.00 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.60 1r6p h GLU 56 CO 0.24 1.05 0.25 1.25 -1.18 0.00 0.00 179.01 180.62 1r6p h LEU 57 N 0.58 0.39 -0.99 1.64 7.12 -1.15 -1.73 115.31 121.18 1r6p h LEU 57 Ca 0.03 0.01 -0.09 0.00 0.13 0.00 0.00 57.88 57.96 1r6p h LEU 57 Cb 1.05 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.09 1r6p h LEU 57 CO 0.10 0.28 -0.20 1.56 -0.13 0.00 0.00 178.44 180.06 1r6p h GLN 58 N 0.50 0.50 -0.82 1.25 1.08 -1.44 -2.63 115.11 113.56 1r6p h GLN 58 Ca 0.18 -0.17 0.08 0.00 -1.45 0.00 0.00 58.65 57.29 1r6p h GLN 58 Cb 0.04 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1r6p h GLN 58 CO -0.10 0.68 0.53 0.93 -0.95 0.00 0.00 178.83 179.92 1r6p h GLU 59 N 0.45 0.80 -0.08 1.46 5.08 -0.42 -0.19 114.58 121.70 1r6p h GLU 59 Ca 0.07 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1r6p h GLU 59 Cb 0.60 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1r6p h GLU 59 CO 0.04 0.53 -0.65 0.52 -1.00 0.00 0.00 179.01 178.45 1r6p h MET 60 N 0.83 0.30 0.85 2.33 2.86 -1.07 -2.84 114.93 118.18 1r6p h MET 60 Ca 0.36 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1r6p h MET 60 Cb 0.33 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.04 1r6p h MET 60 CO -0.14 0.84 -0.41 0.82 1.06 0.00 0.00 176.91 179.09 1r6p h ILE 61 N 0.21 0.05 -0.15 -1.22 1.08 -0.82 0.36 117.51 117.01 1r6p h ILE 61 Ca -0.01 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 1r6p h ILE 61 Cb 1.18 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1r6p h ILE 61 CO 0.10 0.00 0.11 -2.24 -0.69 0.00 0.00 178.15 175.44 1r6p h ASP 62 N -1.27 0.03 0.03 1.72 3.04 -1.43 0.47 116.42 119.01 1r6p h ASP 62 Ca -0.12 -0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.67 1r6p h ASP 62 Cb 0.88 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.16 1r6p h ASP 62 CO 0.19 0.02 -0.02 -0.33 -2.04 0.00 0.00 179.24 177.07 1r6p h GLU 63 N 0.04 -0.04 0.32 4.15 5.08 -1.37 -3.40 114.58 119.35 1r6p h GLU 63 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1r6p h GLU 63 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1r6p h GLU 63 CO -0.00 0.57 -0.15 0.28 -1.00 0.00 0.00 179.01 178.71 1r6p h VAL 64 N -0.95 0.00 -1.01 3.13 2.07 -0.11 -3.42 116.25 115.96 1r6p h VAL 64 Ca -0.00 -0.31 -0.52 0.00 0.82 0.00 0.00 66.70 66.68 1r6p h VAL 64 Cb 0.64 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1r6p h VAL 64 CO 0.01 0.00 1.62 -0.67 0.02 0.00 0.00 177.57 178.55 1r6p n ASP 65 N -4.01 1.68 0.10 0.57 2.03 0.16 -4.78 116.55 112.31 1r6p n ASP 65 Ca -0.05 -0.08 0.01 0.00 0.52 0.00 0.00 54.79 55.18 1r6p n ASP 65 Cb 0.17 -1.31 0.33 0.00 -0.72 0.00 0.00 41.12 39.59 1r6p n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1r6p h GLU 66 N 15.63 0.25 0.07 -0.67 5.08 -1.84 -3.14 114.58 129.97 1r6p h GLU 66 Ca -0.19 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 1r6p h GLU 66 Cb 1.29 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1r6p h GLU 66 CO 1.19 0.46 -0.49 -0.44 -1.00 0.00 0.00 179.01 178.74 1r6p h ASP 67 N 0.23 0.30 -2.05 1.42 3.32 -1.94 -3.48 116.42 114.21 1r6p h ASP 67 Ca 0.04 -0.94 -0.12 0.00 0.02 0.00 0.00 57.03 56.03 1r6p h ASP 67 Cb 0.51 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 40.00 1r6p h ASP 67 CO 0.03 1.22 -0.19 0.61 -1.72 0.00 0.00 179.24 179.19 1r6p n GLY 68 N 1.55 0.44 1.03 2.75 0.00 -1.19 -4.94 105.19 104.83 1r6p n GLY 68 Ca -0.12 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 0.35 2.98 -0.65 1.61 3.41 -1.26 -4.89 113.62 115.17 1r6p n SER 69 Ca -0.01 -2.12 -0.08 0.00 -0.26 0.00 0.00 58.87 56.39 1r6p n SER 69 Cb 0.53 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.13 1.02 3.09 5.00 0.00 -1.26 -5.00 105.19 109.16 1r6p n GLY 70 Ca 0.17 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.31 -0.03 -0.27 2.61 -4.23 -1.26 -2.44 115.64 107.71 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 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 1r6p s THR 71 CO 0.00 0.04 0.38 -0.69 -0.54 0.00 0.00 174.62 173.81 1r6p s VAL 72 N 0.92 5.17 0.69 2.29 1.01 -0.59 -4.81 120.40 125.08 1r6p s VAL 72 Ca -0.06 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1r6p s VAL 72 Cb -0.08 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1r6p s VAL 72 CO -0.06 0.16 1.06 -0.62 0.00 0.00 0.00 175.10 175.64 1r6p s ASP 73 N 1.63 5.37 0.44 3.32 -1.08 -1.26 -0.54 116.67 124.56 1r6p s ASP 73 Ca 0.15 0.98 0.12 0.00 -0.52 0.00 0.00 52.55 53.29 1r6p s ASP 73 Cb -0.16 -1.79 1.02 0.00 -1.46 0.00 0.00 42.92 40.53 1r6p s ASP 73 CO 0.10 -1.34 2.02 0.15 0.52 0.00 0.00 175.17 176.62 1r6p h PHE 74 N -0.58 0.40 -0.29 -5.34 3.57 -1.99 0.74 116.94 113.46 1r6p h PHE 74 Ca -0.45 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 1r6p h PHE 74 Cb 1.26 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1r6p h PHE 74 CO 0.47 0.21 -0.19 -0.44 -2.23 0.00 0.00 178.31 176.13 1r6p h ASP 75 N 0.40 0.66 0.74 0.41 3.32 -1.95 -1.86 116.42 118.14 1r6p h ASP 75 Ca 0.21 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1r6p h ASP 75 Cb 0.31 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1r6p h ASP 75 CO -0.05 0.96 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.65 1r6p h GLU 76 N 0.38 0.00 0.17 3.56 5.08 -1.60 -2.00 114.58 120.17 1r6p h GLU 76 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1r6p h GLU 76 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1r6p h GLU 76 CO 0.05 0.45 -0.08 0.35 -1.00 0.00 0.00 179.01 178.78 1r6p h PHE 77 N 0.00 -0.22 -0.01 4.33 3.57 0.65 -2.41 116.94 122.86 1r6p h PHE 77 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1r6p h PHE 77 Cb 0.94 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1r6p h PHE 77 CO 0.00 0.10 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.75 1r6p h LEU 78 N -0.55 0.01 0.12 0.59 4.07 -1.34 -3.03 115.31 115.18 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 0.42 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1r6p h LEU 78 CO 0.04 0.38 -0.06 0.58 -1.08 0.00 0.00 178.44 178.30 1r6p h VAL 79 N 0.01 0.91 -1.39 1.22 2.07 -1.28 -2.37 116.25 115.42 1r6p h VAL 79 Ca -0.00 -0.09 0.42 0.00 0.82 0.00 0.00 66.70 67.84 1r6p h VAL 79 Cb 0.66 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 1r6p h VAL 79 CO 0.05 0.02 0.95 -0.03 0.02 0.00 0.00 177.57 178.58 1r6p h MET 80 N -0.20 0.09 0.73 1.57 -1.53 -1.30 0.13 114.93 114.42 1r6p h MET 80 Ca -0.02 -0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.20 1r6p h MET 80 Cb 0.16 -0.02 0.01 0.00 -0.55 0.00 0.00 31.60 31.20 1r6p h MET 80 CO 0.03 0.06 -0.35 1.98 0.14 0.00 0.00 176.91 178.77 1r6p h MET 81 N 0.09 -0.94 0.00 0.39 -1.53 -1.51 -2.67 114.93 108.77 1r6p h MET 81 Ca 0.75 0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 57.04 1r6p h MET 81 Cb 2.60 0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 33.86 1r6p h MET 81 CO -0.21 -0.61 -0.17 -0.39 0.14 0.00 0.00 176.91 175.67 1r6p h VAL 82 N -1.21 1.05 -0.07 -5.77 -1.51 -1.14 -1.78 116.25 105.83 1r6p h VAL 82 Ca -0.10 -0.59 -0.03 0.00 -1.23 0.00 0.00 66.70 64.76 1r6p h VAL 82 Cb 0.76 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 1r6p h VAL 82 CO 0.16 0.16 -0.09 0.03 -1.23 0.00 0.00 177.57 176.61 1r6p h ARG 83 N 0.00 0.09 0.14 5.19 3.08 -0.75 0.36 114.38 122.50 1r6p h ARG 83 Ca -0.00 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1r6p h ARG 83 Cb 0.31 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.36 1r6p h ARG 83 CO 0.02 0.19 -0.93 0.00 -1.07 0.00 0.00 179.97 178.18 1r6p h MET 85 N -0.34 -0.62 -7.14 0.00 4.05 -1.24 -3.46 114.93 106.18 1r6p h MET 85 Ca -0.17 0.04 -0.45 0.00 -0.28 0.00 0.00 59.70 58.84 1r6p h MET 85 Cb 1.68 0.14 0.07 0.00 -0.80 0.00 0.00 31.60 32.69 1r6p h MET 85 CO 0.14 -0.41 0.14 0.21 0.23 0.00 0.00 176.91 177.23 1r6p s LYS 86 N -3.63 2.42 -0.68 0.39 2.36 0.12 -4.63 119.74 116.10 1r6p s LYS 86 Ca -0.09 -0.36 -0.02 0.00 -2.55 0.00 0.00 55.97 52.95 1r6p s LYS 86 Cb 0.01 -2.28 -0.03 0.00 -1.05 0.00 0.00 37.83 34.49 1r6p s LYS 86 CO 0.28 -0.99 0.62 -3.47 1.55 0.00 0.00 175.35 173.33 1r6p n ASP 87 N -2.70 -6.00 0.00 1.43 2.03 -1.26 -4.47 116.55 105.58 1r6p n ASP 87 Ca 0.07 -0.29 -0.12 0.00 0.52 0.00 0.00 54.79 54.97 1r6p n ASP 87 Cb 0.60 -4.20 -0.09 0.00 -0.72 0.00 0.00 41.12 36.71 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1r6p h ASP 88 N -0.23 -0.08 -0.01 1.67 3.58 -1.88 -3.47 116.42 115.99 1r6p h ASP 88 Ca -0.23 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.69 1r6p h ASP 88 Cb 1.12 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1r6p h ASP 88 CO 0.28 0.56 0.00 -0.24 -2.88 0.00 0.00 179.24 176.96