#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 -1.38 -1.37 6.12 0.23 -1.26 -4.77 115.26 112.82 1r6p n ASN 2 Ca 0.00 -0.30 -0.01 0.00 -0.53 0.00 0.00 54.58 53.74 1r6p n ASN 2 Cb 0.00 -1.28 0.25 0.00 -2.08 0.00 0.00 39.78 36.68 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1r6p n ASP 3 N -1.94 3.75 0.07 0.53 9.92 -1.26 -4.51 116.55 123.11 1r6p n ASP 3 Ca 0.05 -3.34 -0.15 0.00 -0.53 0.00 0.00 54.79 50.83 1r6p n ASP 3 Cb 0.48 -0.65 -0.14 0.00 -0.64 0.00 0.00 41.12 40.17 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 1.78 1.32 -0.05 0.53 -0.00 -1.97 -3.30 117.51 115.81 1r6p h ILE 4 Ca 0.18 -2.95 -0.08 0.00 -0.00 0.00 0.00 64.86 62.01 1r6p h ILE 4 Cb 1.85 2.82 -0.01 0.00 -0.00 0.00 0.00 36.82 41.48 1r6p h ILE 4 CO 0.48 0.84 -0.35 1.88 -0.00 0.00 0.00 178.15 181.00 1r6p h TYR 5 N 0.06 0.11 -0.22 0.16 0.05 -1.98 -2.66 116.97 112.50 1r6p h TYR 5 Ca -0.18 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 1r6p h TYR 5 Cb 1.98 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.68 1r6p h TYR 5 CO 0.06 0.44 -0.08 0.87 -1.05 0.00 0.00 178.16 178.40 1r6p h LYS 6 N 0.09 0.34 -0.02 4.88 1.57 -1.87 -2.06 116.57 119.51 1r6p h LYS 6 Ca 0.01 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1r6p h LYS 6 Cb 0.66 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1r6p h LYS 6 CO 0.05 0.43 -0.23 0.00 -0.57 0.00 0.00 179.45 179.14 1r6p h ALA 7 N 1.60 1.59 -0.01 3.86 0.00 -1.57 -0.72 119.26 124.01 1r6p h ALA 7 Ca 0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1r6p h ALA 7 Cb 0.35 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1r6p h ALA 7 CO 0.02 0.31 -0.44 0.00 0.00 0.00 0.00 179.25 179.14 1r6p h ALA 8 N 1.74 0.07 0.00 0.00 0.00 -1.43 -2.76 119.26 116.88 1r6p h ALA 8 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1r6p h ALA 8 Cb 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1r6p h ALA 8 CO 0.03 0.24 -0.07 -0.24 0.00 0.00 0.00 179.25 179.21 1r6p h VAL 9 N -0.25 0.23 0.00 0.00 3.04 -1.30 -1.56 116.25 116.41 1r6p h VAL 9 Ca -0.05 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1r6p h VAL 9 Cb 1.15 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 1r6p h VAL 9 CO 0.09 0.07 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.15 1r6p h GLU 10 N 0.00 0.00 -0.15 4.17 5.08 -1.10 -3.32 114.58 119.27 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r6p h GLU 10 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1r6p h GLU 10 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 1r6p n GLN 11 N -2.83 2.67 -1.87 2.33 10.64 -0.73 -5.04 117.38 122.55 1r6p n GLN 11 Ca 0.03 -2.04 -0.30 0.00 -1.83 0.00 0.00 57.00 52.87 1r6p n GLN 11 Cb 0.51 -1.29 0.18 0.00 -0.86 0.00 0.00 30.24 28.79 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 -1.56 2.56 0.46 2.61 0.05 -0.67 -5.05 118.68 117.08 1r6p s LEU 12 Ca 0.18 0.35 0.01 0.00 0.05 0.00 0.00 54.13 54.73 1r6p s LEU 12 Cb 0.13 -2.42 0.00 0.00 -2.05 0.00 0.00 46.19 41.85 1r6p s LEU 12 CO 0.07 -2.73 0.68 0.42 -0.55 0.00 0.00 176.35 174.23 1r6p s THR 13 N -3.80 3.72 0.30 5.48 -4.23 -1.26 -5.00 115.64 110.84 1r6p s THR 13 Ca 0.72 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.74 1r6p s THR 13 Cb -0.05 -3.37 0.03 0.00 1.34 0.00 0.00 72.50 70.45 1r6p s THR 13 CO 0.53 -0.25 1.69 0.44 -0.54 0.00 0.00 174.62 176.49 1r6p h ASP 14 N 0.36 0.20 0.26 3.99 3.32 -2.00 -2.55 116.42 120.01 1r6p h ASP 14 Ca -0.45 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 1r6p h ASP 14 Cb 1.26 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1r6p h ASP 14 CO 0.56 0.63 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.99 1r6p h GLU 15 N 0.16 0.17 -0.29 3.56 3.07 -1.98 -0.75 114.58 118.52 1r6p h GLU 15 Ca 0.01 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 1r6p h GLU 15 Cb 0.85 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1r6p h GLU 15 CO 0.07 0.54 -0.12 1.96 -1.40 0.00 0.00 179.01 180.05 1r6p h GLN 16 N 0.15 0.60 -0.41 2.33 4.20 -1.86 0.11 115.11 120.23 1r6p h GLN 16 Ca 0.01 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1r6p h GLN 16 Cb 0.76 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1r6p h GLN 16 CO 0.06 0.82 0.10 0.87 -0.67 0.00 0.00 178.83 180.01 1r6p h LYS 17 N 0.35 0.66 -0.17 1.46 1.57 -1.29 -2.68 116.57 116.48 1r6p h LYS 17 Ca 0.07 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1r6p h LYS 17 Cb 0.63 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1r6p h LYS 17 CO 0.04 0.68 -0.19 -0.91 -0.57 0.00 0.00 179.45 178.50 1r6p h ASN 18 N 0.53 0.27 -0.25 0.86 2.35 -1.06 0.12 115.58 118.41 1r6p h ASN 18 Ca 0.13 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1r6p h ASN 18 Cb 0.32 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1r6p h ASN 18 CO 0.00 0.49 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.16 1r6p h GLU 19 N 0.26 0.04 0.06 0.81 4.81 -0.43 0.75 114.58 120.88 1r6p h GLU 19 Ca 0.05 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1r6p h GLU 19 Cb 0.50 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1r6p h GLU 19 CO 0.03 0.02 -0.44 0.74 -0.73 0.00 0.00 179.01 178.64 1r6p h PHE 20 N 0.04 0.33 -0.91 0.92 -1.00 -1.42 -3.31 116.94 111.60 1r6p h PHE 20 Ca 0.12 -0.22 0.21 0.00 2.81 0.00 0.00 57.97 60.89 1r6p h PHE 20 Cb 0.17 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.64 1r6p h PHE 20 CO -0.22 1.13 0.61 -0.22 -1.61 0.00 0.00 178.31 177.99 1r6p h LYS 21 N -0.55 0.34 0.28 1.51 1.63 -0.66 0.46 116.57 119.58 1r6p h LYS 21 Ca -0.07 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1r6p h LYS 21 Cb 1.29 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1r6p h LYS 21 CO 0.08 0.22 -0.21 0.00 -3.45 0.00 0.00 179.45 176.10 1r6p h ALA 22 N 1.61 -0.47 -0.26 5.00 0.00 -0.93 0.24 119.26 124.44 1r6p h ALA 22 Ca 0.47 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1r6p h ALA 22 Cb 1.26 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1r6p h ALA 22 CO -0.16 -0.78 -0.28 0.00 0.00 0.00 0.00 179.25 178.02 1r6p h ALA 23 N 0.19 1.03 -0.80 0.00 0.00 -1.30 -2.87 119.26 115.51 1r6p h ALA 23 Ca -0.02 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1r6p h ALA 23 Cb 0.43 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1r6p h ALA 23 CO -0.00 0.58 0.52 0.35 0.00 0.00 0.00 179.25 180.70 1r6p h PHE 24 N 0.45 0.97 -0.26 0.00 3.04 0.39 -0.88 116.94 120.65 1r6p h PHE 24 Ca 0.06 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 1r6p h PHE 24 Cb 0.72 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1r6p h PHE 24 CO 0.03 0.57 -0.01 -0.44 -2.02 0.00 0.00 178.31 176.43 1r6p h ASP 25 N 1.01 0.46 -0.57 0.41 3.32 -0.34 0.18 116.42 120.90 1r6p h ASP 25 Ca 0.32 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1r6p h ASP 25 Cb -0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1r6p h ASP 25 CO -0.10 0.67 0.04 0.16 -1.72 0.00 0.00 179.24 178.29 1r6p h ILE 26 N 0.24 1.26 0.02 0.35 3.07 -1.30 -0.47 117.51 120.69 1r6p h ILE 26 Ca 0.07 -1.08 -0.21 0.00 1.55 0.00 0.00 64.86 65.20 1r6p h ILE 26 Cb 0.44 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 37.74 1r6p h ILE 26 CO 0.02 0.39 -0.93 -0.26 -1.05 0.00 0.00 178.15 176.32 1r6p h PHE 27 N 0.93 0.25 -0.91 0.16 0.04 -1.14 -3.21 116.94 113.07 1r6p h PHE 27 Ca 0.18 -0.15 -0.57 0.00 2.80 0.00 0.00 57.97 60.23 1r6p h PHE 27 Cb 0.49 -0.02 -0.29 0.00 2.20 0.00 0.00 35.95 38.33 1r6p h PHE 27 CO 0.03 1.00 0.55 1.51 -0.60 0.00 0.00 178.31 180.80 1r6p n ILE 28 N -3.59 3.29 -0.06 -0.55 0.00 0.62 -4.55 119.36 114.52 1r6p n ILE 28 Ca -0.03 -2.72 -0.12 0.00 0.00 0.00 0.00 62.75 59.88 1r6p n ILE 28 Cb 0.85 -0.86 -0.11 0.00 0.00 0.00 0.00 39.64 39.53 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1r6p h GLN 29 N 1.60 -0.01 -0.01 9.51 4.15 -1.08 -3.31 115.11 125.96 1r6p h GLN 29 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.98 1r6p h GLN 29 Cb 1.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.30 1r6p h GLN 29 CO 1.24 0.79 -0.01 -3.47 -1.93 0.00 0.00 178.83 175.45 1r6p n ASP 30 N -4.66 0.55 -4.93 -0.69 2.03 -1.26 -4.85 116.55 102.75 1r6p n ASP 30 Ca -0.08 -1.09 -0.28 0.00 0.52 0.00 0.00 54.79 53.86 1r6p n ASP 30 Cb 0.39 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.08 3.95 -0.20 -1.67 0.00 -1.25 -5.02 121.76 115.49 1r6p s ALA 31 Ca 0.42 -0.90 0.14 0.00 0.00 0.00 0.00 51.96 51.62 1r6p s ALA 31 Cb 0.21 -1.86 0.44 0.00 0.00 0.00 0.00 23.12 21.92 1r6p s ALA 31 CO 0.37 0.63 1.19 -0.85 0.00 0.00 0.00 175.76 177.10 1r6p n GLU 32 N -0.24 1.85 -0.05 0.00 0.28 -1.26 -4.75 120.64 116.47 1r6p n GLU 32 Ca -0.06 -3.31 -0.07 0.00 -0.16 0.00 0.00 57.16 53.56 1r6p n GLU 32 Cb 0.53 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.87 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 -0.63 2.60 0.00 -1.84 2.03 -1.26 -5.06 116.55 112.39 1r6p n ASP 33 Ca 0.22 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1r6p n ASP 33 Cb 0.87 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 2.89 1.25 3.31 0.27 0.00 -1.26 -5.13 105.19 106.52 1r6p n GLY 34 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 0.45 2.98 -0.49 0.00 -5.25 -0.21 -4.77 121.20 113.89 1r6p s ILE 36 Ca -0.02 0.20 -0.23 0.00 -0.99 0.00 0.00 60.65 59.61 1r6p s ILE 36 Cb -0.04 -3.29 0.03 0.00 2.95 0.00 0.00 42.46 42.11 1r6p s ILE 36 CO -0.02 -0.37 0.83 -0.55 -1.79 0.00 0.00 174.94 173.05 1r6p s SER 37 N -4.43 6.37 0.28 4.36 0.15 -1.26 -1.61 113.70 117.57 1r6p s SER 37 Ca 0.59 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.99 1r6p s SER 37 Cb -0.11 -2.40 0.63 0.00 -1.71 0.00 0.00 66.02 62.43 1r6p s SER 37 CO 0.49 -1.03 1.78 0.71 1.20 0.00 0.00 173.24 176.39 1r6p h THR 38 N 5.99 0.75 0.00 6.45 1.35 -1.85 0.38 112.91 125.97 1r6p h THR 38 Ca -0.25 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 1r6p h THR 38 Cb 1.08 -0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1r6p h THR 38 CO 1.01 0.14 -0.10 0.07 -0.25 0.00 0.00 175.52 176.39 1r6p h LYS 39 N 0.75 0.00 -0.60 4.72 2.10 -1.91 -0.83 116.57 120.80 1r6p h LYS 39 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 1r6p h LYS 39 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1r6p h LYS 39 CO -0.36 0.10 0.00 0.39 -2.00 0.00 0.00 179.45 177.58 1r6p n GLU 40 N -4.14 4.38 0.09 0.07 1.02 0.13 -4.37 120.64 117.82 1r6p n GLU 40 Ca -0.03 -3.05 0.11 0.00 -0.02 0.00 0.00 57.16 54.17 1r6p n GLU 40 Cb 0.18 -2.11 0.45 0.00 -0.02 0.00 0.00 31.44 29.94 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1r6p n LEU 41 N 0.80 0.50 -0.10 -4.62 0.00 -0.32 -2.78 117.00 110.47 1r6p n LEU 41 Ca 0.27 0.61 0.09 0.00 0.00 0.00 0.00 56.01 56.98 1r6p n LEU 41 Cb 1.07 -0.52 0.45 0.00 0.00 0.00 0.00 43.42 44.41 1r6p n LEU 41 CO 0.29 -0.41 1.19 1.23 0.00 0.00 0.00 177.39 179.69 1r6p h GLY 42 N 2.72 0.70 2.00 -3.96 0.00 -1.79 0.29 103.07 103.04 1r6p h GLY 42 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1r6p h GLY 42 CO 0.00 0.15 -0.30 0.50 0.00 0.00 0.00 176.54 176.89 1r6p h LYS 43 N 0.53 0.00 -0.01 4.80 1.79 -1.89 -2.65 116.57 119.15 1r6p h LYS 43 Ca 0.27 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 1r6p h LYS 43 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1r6p h LYS 43 CO -0.08 0.30 -0.04 0.28 -1.08 0.00 0.00 179.45 178.82 1r6p h VAL 44 N 0.00 1.54 -0.84 0.50 2.07 -0.64 -2.86 116.25 116.01 1r6p h VAL 44 Ca -0.00 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 65.92 1r6p h VAL 44 Cb 0.95 2.63 -0.06 0.00 -1.52 0.00 0.00 31.29 33.29 1r6p h VAL 44 CO 0.04 0.43 0.53 0.24 0.02 0.00 0.00 177.57 178.83 1r6p h MET 45 N -0.63 0.98 -0.79 1.57 2.86 -1.13 0.21 114.93 118.00 1r6p h MET 45 Ca -0.00 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1r6p h MET 45 Cb 0.73 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1r6p h MET 45 CO 0.01 0.65 0.52 0.00 1.06 0.00 0.00 176.91 179.15 1r6p h ARG 46 N 1.01 0.92 0.00 1.72 3.08 -0.67 0.12 114.38 120.56 1r6p h ARG 46 Ca 0.35 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.19 1r6p h ARG 46 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1r6p h ARG 46 CO -0.14 0.61 -0.76 0.52 -1.07 0.00 0.00 179.97 179.13 1r6p h MET 47 N 0.95 0.00 -0.03 0.04 2.86 -0.97 -3.20 114.93 114.57 1r6p h MET 47 Ca 0.32 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.83 1r6p h MET 47 Cb 0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1r6p h MET 47 CO -0.10 0.76 -0.59 -0.07 1.06 0.00 0.00 176.91 177.98 1r6p h LEU 48 N 0.00 0.10 0.00 1.22 4.07 0.73 -3.47 115.31 117.96 1r6p h LEU 48 Ca -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1r6p h LEU 48 Cb 1.48 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1r6p h LEU 48 CO 0.10 0.66 0.00 0.61 -1.08 0.00 0.00 178.44 178.73 1r6p n GLY 49 N 0.18 1.34 3.52 0.83 0.00 -0.07 -5.08 105.19 105.91 1r6p n GLY 49 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 0.79 -0.69 1.61 -2.07 0.22 -5.01 119.66 114.52 1r6p s GLN 50 Ca 0.00 0.70 0.05 0.00 -1.82 0.00 0.00 55.36 54.29 1r6p s GLN 50 Cb 0.00 0.38 0.17 0.00 -1.09 0.00 0.00 33.01 32.47 1r6p s GLN 50 CO 0.00 -0.14 0.48 0.54 -1.32 0.00 0.00 175.29 174.85 1r6p s ASN 51 N -0.04 4.83 0.07 12.60 2.20 -1.26 -0.96 114.94 132.37 1r6p s ASN 51 Ca -0.03 -3.77 0.00 0.00 -0.94 0.00 0.00 52.86 48.13 1r6p s ASN 51 Cb -0.04 -1.65 0.00 0.00 -2.00 0.00 0.00 41.25 37.56 1r6p s ASN 51 CO 0.03 -0.10 0.00 -0.81 -2.94 0.00 0.00 177.10 173.27 1r6p n PRO 52 N 2.10 1.23 -3.70 3.55 -0.04 -1.26 -5.07 135.00 131.80 1r6p n PRO 52 Ca 0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 1r6p n PRO 52 Cb 0.35 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.79 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 0.24 2.19 0.14 0.52 -4.23 -1.26 -4.97 115.64 108.27 1r6p s THR 53 Ca 0.00 -1.41 0.16 0.00 -1.18 0.00 0.00 61.69 59.26 1r6p s THR 53 Cb 0.00 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.32 1r6p s THR 53 CO 0.00 0.00 1.65 1.55 -0.54 0.00 0.00 174.62 177.28 1r6p h PRO 54 N 0.89 0.00 0.10 3.99 0.13 -1.99 -1.05 132.00 134.07 1r6p h PRO 54 Ca -0.39 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.48 1r6p h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.57 0.46 -1.25 0.93 -0.23 0.00 0.00 178.00 178.49 1r6p h GLU 55 N 0.00 0.21 -0.04 0.86 5.08 -1.99 -3.04 114.58 115.66 1r6p h GLU 55 Ca -0.00 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1r6p h GLU 55 Cb 1.04 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1r6p h GLU 55 CO 0.06 1.14 -0.24 1.49 -1.00 0.00 0.00 179.01 180.46 1r6p h GLU 56 N 0.06 0.23 -0.85 2.33 4.57 -1.94 -2.77 114.58 116.21 1r6p h GLU 56 Ca -0.13 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 1r6p h GLU 56 Cb 1.94 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 30.53 1r6p h GLU 56 CO 0.18 0.87 0.56 1.37 -1.18 0.00 0.00 179.01 180.81 1r6p h LEU 57 N -0.34 0.94 -0.68 1.64 8.10 -1.32 -2.02 115.31 121.62 1r6p h LEU 57 Ca -0.02 -0.02 -0.10 0.00 0.11 0.00 0.00 57.88 57.86 1r6p h LEU 57 Cb 0.92 -0.23 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 1r6p h LEU 57 CO 0.05 0.66 -0.03 1.56 -4.11 0.00 0.00 178.44 176.58 1r6p h GLN 58 N 1.10 0.99 -0.94 0.17 1.08 -1.58 -2.22 115.11 113.71 1r6p h GLN 58 Ca 0.32 -0.32 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1r6p h GLN 58 Cb -0.06 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.23 1r6p h GLN 58 CO -0.08 0.99 0.62 0.93 -0.95 0.00 0.00 178.83 180.34 1r6p h GLU 59 N 0.90 1.19 -0.42 1.46 4.39 -1.07 0.35 114.58 121.38 1r6p h GLU 59 Ca 0.16 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 1r6p h GLU 59 Cb 0.56 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1r6p h GLU 59 CO 0.03 0.79 -0.13 0.52 -1.16 0.00 0.00 179.01 179.06 1r6p h MET 60 N 1.23 0.84 -0.15 2.33 2.86 -1.23 -2.72 114.93 118.08 1r6p h MET 60 Ca 0.36 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1r6p h MET 60 Cb -0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1r6p h MET 60 CO -0.09 0.97 0.02 0.82 1.06 0.00 0.00 176.91 179.68 1r6p h ILE 61 N 0.66 1.23 -0.85 -1.22 2.04 -0.77 -1.99 117.51 116.60 1r6p h ILE 61 Ca 0.10 -0.74 0.16 0.00 1.00 0.00 0.00 64.86 65.38 1r6p h ILE 61 Cb 0.68 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 1r6p h ILE 61 CO 0.05 0.22 0.56 0.44 0.00 0.00 0.00 178.15 179.41 1r6p h ASP 62 N 0.02 0.54 -0.02 1.72 3.32 -0.30 0.64 116.42 122.35 1r6p h ASP 62 Ca 0.04 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1r6p h ASP 62 Cb 0.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1r6p h ASP 62 CO 0.00 0.26 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.29 1r6p h GLU 63 N 0.56 0.14 -0.19 3.56 5.08 -1.29 -3.32 114.58 119.12 1r6p h GLU 63 Ca 0.43 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1r6p h GLU 63 Cb 0.83 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1r6p h GLU 63 CO -0.18 0.83 -0.51 -0.24 -1.00 0.00 0.00 179.01 177.91 1r6p h VAL 64 N -0.49 1.32 -2.76 3.13 3.04 -0.79 -3.41 116.25 116.28 1r6p h VAL 64 Ca -0.02 -1.74 -0.55 0.00 -1.01 0.00 0.00 66.70 63.38 1r6p h VAL 64 Cb 0.87 1.73 -0.04 0.00 -2.01 0.00 0.00 31.29 31.84 1r6p h VAL 64 CO 0.03 0.54 1.19 -0.62 -1.01 0.00 0.00 177.57 177.70 1r6p s ASP 65 N -6.90 5.97 0.37 3.17 -1.08 0.22 -4.86 116.67 113.56 1r6p s ASP 65 Ca -0.07 0.73 0.07 0.00 -0.52 0.00 0.00 52.55 52.76 1r6p s ASP 65 Cb 0.12 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.77 1r6p s ASP 65 CO 0.83 -1.75 1.91 1.05 0.52 0.00 0.00 175.17 177.73 1r6p h GLU 66 N 12.15 0.36 0.01 4.34 4.11 -1.85 -3.19 114.58 130.51 1r6p h GLU 66 Ca -0.29 -0.08 -0.37 0.00 0.07 0.00 0.00 59.36 58.69 1r6p h GLU 66 Cb 1.13 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 1r6p h GLU 66 CO 1.12 0.44 -2.37 -0.40 0.07 0.00 0.00 179.01 177.87 1r6p n ASP 67 N -4.29 0.87 -2.06 3.06 5.75 -1.26 -5.03 116.55 113.59 1r6p n ASP 67 Ca 0.00 -0.02 -0.08 0.00 -0.01 0.00 0.00 54.79 54.68 1r6p n ASP 67 Cb 0.24 0.34 0.04 0.00 -1.03 0.00 0.00 41.12 40.71 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 1.94 0.12 0.05 6.12 0.00 -1.21 -4.94 105.19 107.26 1r6p n GLY 68 Ca -0.37 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.71 0.33 0.00 1.61 3.41 -1.26 -4.89 113.62 111.11 1r6p n SER 69 Ca -0.11 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1r6p n SER 69 Cb 0.57 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.16 0.78 2.94 5.00 0.00 -1.26 -5.06 105.19 108.75 1r6p n GLY 70 Ca 0.06 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 -0.24 2.61 -4.23 -1.26 -2.64 115.64 107.83 1r6p s THR 71 Ca 0.00 0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.48 1r6p s THR 71 Cb 0.00 -0.25 -0.02 0.00 1.34 0.00 0.00 72.50 73.57 1r6p s THR 71 CO 0.00 0.07 0.59 -0.69 -0.54 0.00 0.00 174.62 174.05 1r6p s VAL 72 N 1.11 5.02 0.63 2.29 1.01 -0.63 -4.82 120.40 125.00 1r6p s VAL 72 Ca -0.09 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 1r6p s VAL 72 Cb -0.11 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1r6p s VAL 72 CO -0.06 0.06 1.00 -1.81 0.00 0.00 0.00 175.10 174.29 1r6p s ASP 73 N 1.43 5.79 0.48 3.32 1.11 -1.26 -1.05 116.67 126.50 1r6p s ASP 73 Ca 0.25 1.09 0.17 0.00 0.18 0.00 0.00 52.55 54.24 1r6p s ASP 73 Cb -0.16 -2.07 1.18 0.00 1.07 0.00 0.00 42.92 42.95 1r6p s ASP 73 CO 0.09 -1.06 2.04 0.15 1.18 0.00 0.00 175.17 177.57 1r6p h PHE 74 N -0.35 0.20 -0.18 4.23 3.57 -1.98 0.58 116.94 123.01 1r6p h PHE 74 Ca -0.45 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 60.94 1r6p h PHE 74 Cb 1.23 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1r6p h PHE 74 CO 0.55 0.10 -0.34 -0.44 -2.23 0.00 0.00 178.31 175.95 1r6p h ASP 75 N 0.20 0.61 0.53 0.41 3.32 -1.96 -2.07 116.42 117.46 1r6p h ASP 75 Ca 0.18 -0.54 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 1r6p h ASP 75 Cb 0.46 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1r6p h ASP 75 CO -0.03 1.04 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.82 1r6p h GLU 76 N 0.21 0.00 0.29 3.56 5.08 -1.57 -0.09 114.58 122.05 1r6p h GLU 76 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1r6p h GLU 76 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1r6p h GLU 76 CO 0.08 0.38 -0.14 0.35 -1.00 0.00 0.00 179.01 178.68 1r6p h PHE 77 N 0.00 -0.36 -0.03 4.33 3.57 0.23 -1.42 116.94 123.26 1r6p h PHE 77 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1r6p h PHE 77 Cb 0.75 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1r6p h PHE 77 CO 0.00 -0.05 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.45 1r6p h LEU 78 N -0.69 0.08 -0.06 0.59 4.07 -1.34 -3.13 115.31 114.83 1r6p h LEU 78 Ca -0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 1r6p h LEU 78 Cb 0.48 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1r6p h LEU 78 CO 0.07 0.59 0.03 0.58 -1.08 0.00 0.00 178.44 178.62 1r6p h VAL 79 N 0.06 1.12 -1.15 1.22 2.07 -0.97 -2.57 116.25 116.03 1r6p h VAL 79 Ca -0.00 -0.36 0.34 0.00 0.82 0.00 0.00 66.70 67.50 1r6p h VAL 79 Cb 0.94 1.25 -0.11 0.00 -1.52 0.00 0.00 31.29 31.85 1r6p h VAL 79 CO 0.07 0.10 0.74 -0.03 0.02 0.00 0.00 177.57 178.47 1r6p h MET 80 N -0.04 0.25 0.42 1.57 -1.53 -1.19 0.61 114.93 115.02 1r6p h MET 80 Ca 0.02 -0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 1r6p h MET 80 Cb 0.14 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.14 1r6p h MET 80 CO -0.00 0.17 -0.20 1.98 0.14 0.00 0.00 176.91 178.99 1r6p h MET 81 N 0.26 -0.54 0.00 0.39 -1.53 -1.54 -3.25 114.93 108.72 1r6p h MET 81 Ca 0.69 0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.98 1r6p h MET 81 Cb 1.96 0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 33.13 1r6p h MET 81 CO -0.36 -0.29 -0.06 -0.39 0.14 0.00 0.00 176.91 175.95 1r6p h VAL 82 N -1.09 0.81 -0.86 -5.77 -1.51 -1.03 -2.43 116.25 104.37 1r6p h VAL 82 Ca -0.06 -0.21 0.24 0.00 -1.23 0.00 0.00 66.70 65.44 1r6p h VAL 82 Cb 0.50 1.12 -0.04 0.00 -2.13 0.00 0.00 31.29 30.74 1r6p h VAL 82 CO 0.09 0.06 0.61 0.03 -1.23 0.00 0.00 177.57 177.13 1r6p h ARG 83 N 0.00 0.07 -0.58 5.19 3.08 0.15 0.88 114.38 123.17 1r6p h ARG 83 Ca -0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1r6p h ARG 83 Cb 0.12 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1r6p h ARG 83 CO 0.01 0.04 0.27 0.00 -1.07 0.00 0.00 179.97 179.22 1r6p h MET 85 N 0.80 0.00 -1.42 0.00 1.85 -1.12 -3.50 114.93 111.54 1r6p h MET 85 Ca 0.20 0.00 0.16 0.00 -0.61 0.00 0.00 59.70 59.45 1r6p h MET 85 Cb 0.14 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 1r6p h MET 85 CO -0.02 0.47 -0.24 0.36 -0.40 0.00 0.00 176.91 177.08 1r6p n LYS 86 N -3.03 -1.20 -0.09 0.39 2.85 0.28 -4.86 118.16 112.51 1r6p n LYS 86 Ca -0.12 0.81 -0.17 0.00 -1.05 0.00 0.00 58.31 57.78 1r6p n LYS 86 Cb 0.96 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.78 1r6p n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1r6p n ASP 87 N -4.37 1.57 -3.15 -5.58 2.03 -1.26 -5.00 116.55 100.79 1r6p n ASP 87 Ca 0.00 0.27 0.03 0.00 0.52 0.00 0.00 54.79 55.61 1r6p n ASP 87 Cb 0.57 -0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r6p s ASP 88 N -6.53 -1.42 0.00 1.67 2.15 -1.26 -5.13 116.67 106.15 1r6p s ASP 88 Ca -0.26 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1r6p s ASP 88 Cb 0.08 1.87 0.00 0.00 -0.30 0.00 0.00 42.92 44.57 1r6p s ASP 88 CO 0.35 -0.24 0.00 -0.24 -0.17 0.00 0.00 175.17 174.88