#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 4.43 -1.48 3.17 6.94 -1.26 -4.56 115.26 122.50 1r6p n ASN 2 Ca 0.00 -3.76 -0.03 0.00 -0.02 0.00 0.00 54.58 50.77 1r6p n ASN 2 Cb 0.00 -0.69 0.25 0.00 -2.36 0.00 0.00 39.78 36.99 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1r6p n ASP 3 N -0.99 3.82 -0.03 0.53 9.92 -1.26 -4.42 116.55 124.11 1r6p n ASP 3 Ca 0.47 -3.36 -0.08 0.00 -0.53 0.00 0.00 54.79 51.29 1r6p n ASP 3 Cb 1.03 -0.67 -0.14 0.00 -0.64 0.00 0.00 41.12 40.70 1r6p n ASP 3 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1r6p n ILE 4 N -0.62 1.52 -0.03 0.53 -0.00 -1.26 -3.80 119.36 115.70 1r6p n ILE 4 Ca 0.35 -0.80 -0.08 0.00 -0.00 0.00 0.00 62.75 62.23 1r6p n ILE 4 Cb 1.18 -0.89 0.09 0.00 -0.00 0.00 0.00 39.64 40.03 1r6p n ILE 4 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 1r6p h TYR 5 N 0.00 0.74 -0.21 4.28 0.05 -1.89 -2.89 116.97 117.05 1r6p h TYR 5 Ca -0.33 -0.21 -0.07 0.00 0.05 0.00 0.00 58.73 58.18 1r6p h TYR 5 Cb 2.02 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 39.59 1r6p h TYR 5 CO 0.00 0.91 -0.17 0.87 -1.05 0.00 0.00 178.16 178.72 1r6p h LYS 6 N 0.52 0.36 0.00 4.88 6.56 -1.85 -1.71 116.57 125.33 1r6p h LYS 6 Ca 0.05 -0.10 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 1r6p h LYS 6 Cb 0.88 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.50 1r6p h LYS 6 CO 0.08 0.52 -0.22 0.00 -2.06 0.00 0.00 179.45 177.77 1r6p h ALA 7 N 1.50 1.31 0.14 3.86 0.00 -1.61 -1.99 119.26 122.47 1r6p h ALA 7 Ca 0.06 -0.20 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 1r6p h ALA 7 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r6p h ALA 7 CO 0.03 0.28 -1.47 0.00 0.00 0.00 0.00 179.25 178.08 1r6p h ALA 8 N 1.78 0.14 0.00 0.00 0.00 -1.38 -3.30 119.26 116.50 1r6p h ALA 8 Ca -0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 1r6p h ALA 8 Cb 0.50 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1r6p h ALA 8 CO 0.03 0.85 -0.07 -0.24 0.00 0.00 0.00 179.25 179.82 1r6p h VAL 9 N -0.17 0.28 0.00 0.00 3.04 -1.24 -0.07 116.25 118.09 1r6p h VAL 9 Ca -0.30 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1r6p h VAL 9 Cb 1.86 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.49 1r6p h VAL 9 CO 0.11 0.07 -0.13 1.05 -1.01 0.00 0.00 177.57 177.66 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.47 -3.32 114.58 118.06 1r6p h GLU 10 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1r6p h GLU 10 Cb 0.34 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.41 1r6p h GLU 10 CO 0.01 0.00 -0.73 0.00 0.07 0.00 0.00 179.01 178.36 1r6p n GLN 11 N -2.74 0.79 -2.00 1.06 10.64 -0.65 -5.09 117.38 119.40 1r6p n GLN 11 Ca 0.04 -2.59 -0.29 0.00 -1.83 0.00 0.00 57.00 52.33 1r6p n GLN 11 Cb 0.49 -0.83 0.17 0.00 -0.86 0.00 0.00 30.24 29.21 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 -1.62 2.73 0.55 2.61 0.05 -0.13 -5.02 118.68 117.85 1r6p s LEU 12 Ca 0.34 0.23 -0.01 0.00 0.05 0.00 0.00 54.13 54.74 1r6p s LEU 12 Cb 0.36 -2.34 0.02 0.00 -2.05 0.00 0.00 46.19 42.19 1r6p s LEU 12 CO -0.11 -2.59 0.80 0.42 -0.55 0.00 0.00 176.35 174.32 1r6p s THR 13 N -3.79 3.17 0.26 5.48 -4.23 -1.26 -5.00 115.64 110.27 1r6p s THR 13 Ca 0.72 -0.44 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 1r6p s THR 13 Cb -0.04 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 1r6p s THR 13 CO 0.52 -0.18 1.61 0.44 -0.54 0.00 0.00 174.62 176.47 1r6p h ASP 14 N 0.02 0.13 0.08 3.99 3.32 -2.00 -2.86 116.42 119.12 1r6p h ASP 14 Ca -0.44 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1r6p h ASP 14 Cb 1.28 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1r6p h ASP 14 CO 0.56 0.69 -0.25 1.05 -1.72 0.00 0.00 179.24 179.57 1r6p h GLU 15 N 0.09 0.28 -0.43 3.56 4.11 -1.98 -0.26 114.58 119.94 1r6p h GLU 15 Ca -0.00 -0.09 -0.12 0.00 0.07 0.00 0.00 59.36 59.22 1r6p h GLU 15 Cb 1.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1r6p h GLU 15 CO 0.08 0.52 -0.18 0.37 0.07 0.00 0.00 179.01 179.86 1r6p h GLN 16 N 0.25 0.89 -0.37 1.06 -0.00 -1.90 -1.34 115.11 113.70 1r6p h GLN 16 Ca 0.04 -0.38 -0.11 0.00 -0.00 0.00 0.00 58.65 58.21 1r6p h GLN 16 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 1r6p h GLN 16 CO 0.04 1.03 -0.19 0.87 0.00 0.00 0.00 178.83 180.58 1r6p h LYS 17 N 0.72 0.78 -0.51 1.69 1.57 -1.32 -3.09 116.57 116.41 1r6p h LYS 17 Ca 0.10 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1r6p h LYS 17 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1r6p h LYS 17 CO 0.06 0.96 0.12 -0.91 -0.57 0.00 0.00 179.45 179.11 1r6p h ASN 18 N 0.57 0.72 -0.43 0.86 2.35 -0.97 0.23 115.58 118.92 1r6p h ASN 18 Ca 0.08 -0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1r6p h ASN 18 Cb 0.74 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.84 1r6p h ASN 18 CO 0.06 0.71 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.40 1r6p h GLU 19 N 0.75 0.03 0.14 0.81 4.57 -1.16 -0.40 114.58 119.33 1r6p h GLU 19 Ca 0.17 -0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.10 1r6p h GLU 19 Cb 0.28 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1r6p h GLU 19 CO -0.00 0.02 -1.18 0.74 -1.18 0.00 0.00 179.01 177.41 1r6p h PHE 20 N 0.04 0.52 -0.91 0.92 0.04 -1.56 -3.35 116.94 112.65 1r6p h PHE 20 Ca 0.21 -0.38 0.21 0.00 2.80 0.00 0.00 57.97 60.80 1r6p h PHE 20 Cb 0.32 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.38 1r6p h PHE 20 CO -0.34 1.46 0.60 -0.22 -0.60 0.00 0.00 178.31 179.21 1r6p h LYS 21 N -0.30 0.39 0.66 1.51 3.11 -0.38 0.37 116.57 121.93 1r6p h LYS 21 Ca -0.24 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.55 1r6p h LYS 21 Cb 1.74 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 32.89 1r6p h LYS 21 CO 0.11 0.26 -0.32 0.00 -2.81 0.00 0.00 179.45 176.69 1r6p h ALA 22 N 1.61 -0.88 -0.34 5.00 0.00 -1.20 0.27 119.26 123.72 1r6p h ALA 22 Ca 0.47 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1r6p h ALA 22 Cb 1.19 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1r6p h ALA 22 CO -0.18 -1.00 -0.20 0.00 0.00 0.00 0.00 179.25 177.88 1r6p h ALA 23 N -0.53 1.02 -0.54 0.00 0.00 -1.52 -2.85 119.26 114.84 1r6p h ALA 23 Ca -0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1r6p h ALA 23 Cb 0.68 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1r6p h ALA 23 CO 0.15 0.59 0.32 0.35 0.00 0.00 0.00 179.25 180.65 1r6p h PHE 24 N 0.57 0.71 -0.70 0.00 3.04 -0.09 -0.48 116.94 119.99 1r6p h PHE 24 Ca 0.09 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 1r6p h PHE 24 Cb 0.66 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 1r6p h PHE 24 CO 0.03 0.50 0.19 0.22 -2.02 0.00 0.00 178.31 177.23 1r6p h ASP 25 N 0.72 1.05 0.23 0.41 1.82 -0.31 -0.43 116.42 119.92 1r6p h ASP 25 Ca 0.19 -0.22 -0.21 0.00 -0.39 0.00 0.00 57.03 56.40 1r6p h ASP 25 Cb 0.00 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.73 1r6p h ASP 25 CO -0.03 1.00 -0.82 0.16 -1.61 0.00 0.00 179.24 177.94 1r6p h ILE 26 N 1.05 1.37 -0.03 2.25 3.07 -1.33 -1.02 117.51 122.87 1r6p h ILE 26 Ca 0.22 -2.23 -0.20 0.00 1.55 0.00 0.00 64.86 64.20 1r6p h ILE 26 Cb 0.35 2.21 -0.00 0.00 -0.27 0.00 0.00 36.82 39.10 1r6p h ILE 26 CO -0.00 0.67 -0.84 -0.26 -1.05 0.00 0.00 178.15 176.67 1r6p h PHE 27 N 0.29 0.54 -0.32 0.16 0.04 -1.00 -3.13 116.94 113.53 1r6p h PHE 27 Ca -0.05 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.45 1r6p h PHE 27 Cb 1.42 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.50 1r6p h PHE 27 CO 0.06 1.06 0.00 0.44 -0.60 0.00 0.00 178.31 179.27 1r6p n ILE 28 N -3.77 0.42 -0.35 -0.55 -6.64 -0.18 -4.38 119.36 103.90 1r6p n ILE 28 Ca -0.05 -0.58 0.12 0.00 -1.77 0.00 0.00 62.75 60.47 1r6p n ILE 28 Cb 0.78 0.64 0.32 0.00 -1.44 0.00 0.00 39.64 39.93 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 3.35 0.77 -0.02 6.28 4.15 -1.12 0.43 115.11 128.94 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 0.74 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1r6p h GLN 29 CO 0.00 0.51 -0.05 -0.25 -1.93 0.00 0.00 178.83 177.11 1r6p n ASP 30 N -4.71 2.23 -4.92 -0.69 9.92 -1.26 -4.92 116.55 112.20 1r6p n ASP 30 Ca 0.22 -1.70 -0.31 0.00 -0.53 0.00 0.00 54.79 52.46 1r6p n ASP 30 Cb 0.53 0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 41.01 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r6p s ALA 31 N -2.06 3.97 -0.38 2.24 0.00 0.14 -5.02 121.76 120.65 1r6p s ALA 31 Ca 0.31 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1r6p s ALA 31 Cb 0.20 -1.88 0.44 0.00 0.00 0.00 0.00 23.12 21.88 1r6p s ALA 31 CO 0.35 0.80 1.19 0.39 0.00 0.00 0.00 175.76 178.48 1r6p n GLU 32 N 0.32 3.50 0.00 0.00 1.02 -1.26 -4.68 120.64 119.53 1r6p n GLU 32 Ca -0.05 -4.30 0.00 0.00 -0.02 0.00 0.00 57.16 52.79 1r6p n GLU 32 Cb 0.51 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1r6p n ASP 33 N -0.60 0.46 0.00 1.62 9.92 -1.26 -5.08 116.55 121.60 1r6p n ASP 33 Ca 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 1r6p n ASP 33 Cb 0.80 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r6p n GLY 34 N 2.26 0.91 3.37 0.44 0.00 -1.26 -5.14 105.19 105.77 1r6p n GLY 34 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.48 2.59 -0.41 0.00 -5.25 -0.02 -4.68 121.20 111.95 1r6p s ILE 36 Ca -0.11 -0.84 -0.20 0.00 -0.99 0.00 0.00 60.65 58.51 1r6p s ILE 36 Cb -0.02 -2.76 0.02 0.00 2.95 0.00 0.00 42.46 42.65 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 -4.50 6.35 0.33 4.36 0.15 -1.26 -1.97 113.70 117.15 1r6p s SER 37 Ca 0.59 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 57.11 1r6p s SER 37 Cb -0.09 -2.31 0.73 0.00 -1.71 0.00 0.00 66.02 62.64 1r6p s SER 37 CO 0.38 -0.70 1.84 0.71 1.20 0.00 0.00 173.24 176.66 1r6p h THR 38 N 5.80 0.83 0.00 6.45 1.35 -1.88 0.30 112.91 125.76 1r6p h THR 38 Ca -0.26 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.31 1r6p h THR 38 Cb 1.10 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1r6p h THR 38 CO 0.87 0.14 -0.12 0.07 -0.25 0.00 0.00 175.52 176.23 1r6p h LYS 39 N 0.79 0.00 -0.58 4.72 2.10 -1.92 -1.49 116.57 120.20 1r6p h LYS 39 Ca 0.49 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.07 1r6p h LYS 39 Cb 0.70 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.99 1r6p h LYS 39 CO -0.25 0.12 0.08 0.39 -2.00 0.00 0.00 179.45 177.79 1r6p n GLU 40 N -4.17 4.17 -0.02 0.07 -0.58 0.98 -4.56 120.64 116.54 1r6p n GLU 40 Ca -0.02 -3.10 0.20 0.00 -0.42 0.00 0.00 57.16 53.81 1r6p n GLU 40 Cb 0.20 -2.18 0.67 0.00 -0.57 0.00 0.00 31.44 29.56 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 3.18 0.04 -1.49 -4.62 7.12 -0.60 -0.25 115.31 118.68 1r6p h LEU 41 Ca 0.09 0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.21 1r6p h LEU 41 Cb 2.01 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 42.09 1r6p h LEU 41 CO 0.53 0.02 0.47 1.23 -0.13 0.00 0.00 178.44 180.56 1r6p h GLY 42 N 0.04 0.81 2.00 3.75 0.00 -1.83 0.39 103.07 108.23 1r6p h GLY 42 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1r6p h GLY 42 CO -0.01 0.13 -0.19 0.50 0.00 0.00 0.00 176.54 176.96 1r6p h LYS 43 N 0.56 0.00 0.02 4.80 1.79 -1.41 -1.63 116.57 120.70 1r6p h LYS 43 Ca 0.33 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.48 1r6p h LYS 43 Cb 0.53 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 1r6p h LYS 43 CO -0.11 0.19 -1.93 1.33 -1.08 0.00 0.00 179.45 177.85 1r6p n VAL 44 N -3.96 1.58 -0.33 0.50 0.24 0.17 -3.84 118.33 112.70 1r6p n VAL 44 Ca -0.02 -0.78 -0.03 0.00 -2.04 0.00 0.00 64.34 61.47 1r6p n VAL 44 Cb 0.28 -1.04 0.09 0.00 -1.47 0.00 0.00 33.84 31.70 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1r6p h MET 45 N 0.01 1.19 -0.25 7.34 2.86 -0.03 -0.49 114.93 125.56 1r6p h MET 45 Ca -0.37 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1r6p h MET 45 Cb 2.06 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 33.45 1r6p h MET 45 CO 0.06 0.81 -0.06 0.07 1.06 0.00 0.00 176.91 178.85 1r6p h ARG 46 N 1.22 0.40 -0.15 1.72 0.11 -0.80 0.52 114.38 117.39 1r6p h ARG 46 Ca 0.32 -0.09 -0.13 0.00 0.10 0.00 0.00 59.98 60.19 1r6p h ARG 46 Cb -0.10 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 30.91 1r6p h ARG 46 CO -0.07 0.47 -0.47 0.52 0.10 0.00 0.00 179.97 180.53 1r6p h MET 47 N 0.38 0.37 0.01 0.08 2.86 -1.35 -2.94 114.93 114.34 1r6p h MET 47 Ca 0.08 -0.20 -0.19 0.00 -2.06 0.00 0.00 59.70 57.33 1r6p h MET 47 Cb 0.35 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1r6p h MET 47 CO 0.02 0.77 -0.87 -0.07 1.06 0.00 0.00 176.91 177.81 1r6p h LEU 48 N 0.30 0.13 0.00 1.22 4.07 -0.31 -3.47 115.31 117.25 1r6p h LEU 48 Ca 0.02 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1r6p h LEU 48 Cb 0.94 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1r6p h LEU 48 CO 0.08 0.93 0.00 0.61 -1.08 0.00 0.00 178.44 178.98 1r6p n GLY 49 N 0.90 1.94 3.20 0.83 0.00 0.43 -5.10 105.19 107.39 1r6p n GLY 49 Ca -0.02 0.00 -0.15 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 -0.13 0.93 -0.42 1.61 -1.52 0.15 -4.98 119.66 115.30 1r6p s GLN 50 Ca 0.00 -1.23 0.07 0.00 -1.95 0.00 0.00 55.36 52.25 1r6p s GLN 50 Cb 0.00 -0.64 0.23 0.00 -0.22 0.00 0.00 33.01 32.39 1r6p s GLN 50 CO 0.00 0.10 0.60 -1.71 -0.25 0.00 0.00 175.29 174.03 1r6p n ASN 51 N 0.42 -0.89 -2.29 5.90 5.15 -1.26 -2.19 115.26 120.11 1r6p n ASN 51 Ca -0.15 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.01 1r6p n ASN 51 Cb 0.58 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.95 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r6p n PRO 52 N 1.74 1.43 -3.64 1.20 -0.04 -1.26 -5.12 135.00 129.30 1r6p n PRO 52 Ca 0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.42 1r6p n PRO 52 Cb 0.55 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 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 0.44 2.28 0.23 0.52 -4.23 -1.26 -4.95 115.64 108.66 1r6p s THR 53 Ca 0.00 -1.37 0.14 0.00 -1.18 0.00 0.00 61.69 59.28 1r6p s THR 53 Cb 0.00 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.24 1r6p s THR 53 CO 0.00 0.00 1.68 1.55 -0.54 0.00 0.00 174.62 177.31 1r6p h PRO 54 N 0.88 0.00 0.16 3.99 0.13 -1.99 -0.73 132.00 134.44 1r6p h PRO 54 Ca -0.39 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.44 1r6p h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1r6p h PRO 54 CO 0.56 0.49 -1.39 0.93 -0.23 0.00 0.00 178.00 178.37 1r6p h GLU 55 N 0.00 0.33 -0.11 0.86 5.08 -1.99 -2.91 114.58 115.84 1r6p h GLU 55 Ca -0.00 -0.57 -0.06 0.00 -1.00 0.00 0.00 59.36 57.73 1r6p h GLU 55 Cb 0.99 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r6p h GLU 55 CO 0.06 1.25 -0.16 1.49 -1.00 0.00 0.00 179.01 180.65 1r6p h GLU 56 N 0.09 0.30 -0.39 2.33 4.81 -1.94 -3.01 114.58 116.77 1r6p h GLU 56 Ca -0.20 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1r6p h GLU 56 Cb 2.03 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.41 1r6p h GLU 56 CO 0.21 0.75 0.01 1.37 -0.73 0.00 0.00 179.01 180.62 1r6p h LEU 57 N -0.12 0.59 -1.58 1.64 8.10 -1.26 -2.45 115.31 120.23 1r6p h LEU 57 Ca 0.01 -0.12 -0.05 0.00 0.11 0.00 0.00 57.88 57.83 1r6p h LEU 57 Cb 0.72 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.78 1r6p h LEU 57 CO 0.04 0.66 -0.23 -0.61 -4.11 0.00 0.00 178.44 174.19 1r6p h GLN 58 N 0.59 0.00 0.19 0.17 5.75 -1.51 -2.16 115.11 118.14 1r6p h GLN 58 Ca 0.12 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1r6p h GLN 58 Cb 0.37 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1r6p h GLN 58 CO 0.01 0.23 -0.09 0.93 -2.65 0.00 0.00 178.83 177.26 1r6p h GLU 59 N 0.00 -0.25 -0.29 1.69 5.08 -1.30 0.46 114.58 119.97 1r6p h GLU 59 Ca -0.00 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1r6p h GLU 59 Cb 0.44 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1r6p h GLU 59 CO 0.03 0.05 -0.02 0.00 -1.00 0.00 0.00 179.01 178.07 1r6p h MET 60 N -0.54 0.44 -0.30 2.33 -0.00 -1.53 -1.97 114.93 113.37 1r6p h MET 60 Ca -0.03 -0.09 -0.07 0.00 -0.00 0.00 0.00 59.70 59.51 1r6p h MET 60 Cb 0.41 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 1r6p h MET 60 CO 0.04 0.49 -0.08 0.82 -0.00 0.00 0.00 176.91 178.18 1r6p h ILE 61 N 0.43 1.28 -0.81 -0.10 1.08 -1.28 -0.84 117.51 117.26 1r6p h ILE 61 Ca 0.09 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1r6p h ILE 61 Cb 0.31 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1r6p h ILE 61 CO 0.01 0.36 0.52 -0.78 -0.69 0.00 0.00 178.15 177.57 1r6p h ASP 62 N 0.36 0.95 -0.16 1.72 1.82 -0.53 0.33 116.42 120.91 1r6p h ASP 62 Ca 0.08 -0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.60 1r6p h ASP 62 Cb 0.57 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 1r6p h ASP 62 CO 0.03 0.71 -0.19 -0.33 -1.61 0.00 0.00 179.24 177.85 1r6p h GLU 63 N 1.11 0.41 -0.12 0.28 5.08 -1.19 -3.24 114.58 116.92 1r6p h GLU 63 Ca 0.30 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1r6p h GLU 63 Cb -0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1r6p h GLU 63 CO -0.06 0.80 -0.56 -0.24 -1.00 0.00 0.00 179.01 177.95 1r6p h VAL 64 N 0.05 1.35 -3.01 3.13 3.04 -0.89 -3.41 116.25 116.50 1r6p h VAL 64 Ca 0.02 -1.86 -0.56 0.00 -1.01 0.00 0.00 66.70 63.29 1r6p h VAL 64 Cb 0.74 1.88 -0.05 0.00 -2.01 0.00 0.00 31.29 31.85 1r6p h VAL 64 CO 0.05 0.56 1.13 -0.62 -1.01 0.00 0.00 177.57 177.68 1r6p s ASP 65 N -6.90 6.15 0.07 3.17 -1.08 0.11 -4.87 116.67 113.32 1r6p s ASP 65 Ca -0.05 0.79 -0.17 0.00 -0.52 0.00 0.00 52.55 52.60 1r6p s ASP 65 Cb 0.12 -2.54 -0.11 0.00 -1.46 0.00 0.00 42.92 38.93 1r6p s ASP 65 CO 0.81 -1.59 1.40 -0.33 0.52 0.00 0.00 175.17 175.98 1r6p h GLU 66 N 11.43 0.54 0.17 4.34 5.08 -1.83 -3.28 114.58 131.03 1r6p h GLU 66 Ca -0.28 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 57.49 1r6p h GLU 66 Cb 1.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.38 1r6p h GLU 66 CO 1.10 0.85 -1.47 0.38 -1.00 0.00 0.00 179.01 178.88 1r6p h ASP 67 N 0.24 0.56 -2.88 1.42 2.03 -1.94 -3.49 116.42 112.37 1r6p h ASP 67 Ca 0.04 -0.68 -0.09 0.00 -0.73 0.00 0.00 57.03 55.57 1r6p h ASP 67 Cb 0.74 -0.18 0.04 0.00 -0.83 0.00 0.00 39.33 39.10 1r6p h ASP 67 CO 0.05 1.54 -0.21 0.61 -1.03 0.00 0.00 179.24 180.21 1r6p n GLY 68 N 1.67 0.28 0.02 7.15 0.00 -1.24 -4.96 105.19 108.11 1r6p n GLY 68 Ca -0.15 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.26 0.45 0.00 1.61 3.41 -1.26 -4.93 113.62 111.64 1r6p n SER 69 Ca -0.06 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1r6p n SER 69 Cb 0.54 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 1.45 0.65 2.87 5.00 0.00 -1.26 -5.06 105.19 108.84 1r6p n GLY 70 Ca 0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.04 -0.26 2.61 -4.23 -1.26 -2.83 115.64 107.63 1r6p s THR 71 Ca 0.00 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.52 1r6p s THR 71 Cb 0.00 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 1r6p s THR 71 CO 0.00 0.06 0.37 -0.69 -0.54 0.00 0.00 174.62 173.82 1r6p s VAL 72 N 0.90 5.18 0.67 2.29 1.01 -0.83 -4.85 120.40 124.77 1r6p s VAL 72 Ca -0.07 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1r6p s VAL 72 Cb -0.10 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1r6p s VAL 72 CO -0.04 0.17 0.99 -0.62 0.00 0.00 0.00 175.10 175.61 1r6p s ASP 73 N 1.56 5.20 0.54 3.32 2.15 -1.26 -0.84 116.67 127.35 1r6p s ASP 73 Ca 0.15 0.68 0.20 0.00 0.43 0.00 0.00 52.55 54.01 1r6p s ASP 73 Cb -0.16 -1.48 1.41 0.00 -0.30 0.00 0.00 42.92 42.39 1r6p s ASP 73 CO 0.10 -1.36 2.17 0.15 -0.17 0.00 0.00 175.17 176.06 1r6p h PHE 74 N -0.47 0.00 -0.10 -5.34 3.57 -1.98 0.35 116.94 112.97 1r6p h PHE 74 Ca -0.45 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 1r6p h PHE 74 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1r6p h PHE 74 CO 0.41 0.00 -0.18 -0.44 -2.23 0.00 0.00 178.31 175.88 1r6p h ASP 75 N 0.00 0.32 0.08 0.41 5.19 -1.95 -1.96 116.42 118.52 1r6p h ASP 75 Ca 0.00 -0.55 -0.07 0.00 -0.62 0.00 0.00 57.03 55.79 1r6p h ASP 75 Cb 0.02 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1r6p h ASP 75 CO -0.00 0.81 -0.23 -0.33 -3.12 0.00 0.00 179.24 176.38 1r6p h GLU 76 N -0.15 0.26 0.02 3.56 5.08 -1.70 -0.17 114.58 121.47 1r6p h GLU 76 Ca 0.01 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1r6p h GLU 76 Cb 0.75 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1r6p h GLU 76 CO 0.04 0.48 -0.01 0.35 -1.00 0.00 0.00 179.01 178.87 1r6p h PHE 77 N 0.24 -0.02 -0.02 4.33 3.57 -0.25 -1.57 116.94 123.21 1r6p h PHE 77 Ca 0.04 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 1r6p h PHE 77 Cb 0.54 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1r6p h PHE 77 CO 0.01 0.17 -0.63 -0.07 -2.23 0.00 0.00 178.31 175.56 1r6p h LEU 78 N -0.21 0.08 -0.05 0.59 4.07 -1.22 -3.20 115.31 115.37 1r6p h LEU 78 Ca -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1r6p h LEU 78 Cb 0.20 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 1r6p h LEU 78 CO 0.00 0.68 0.03 0.58 -1.08 0.00 0.00 178.44 178.65 1r6p h VAL 79 N 0.05 1.11 -1.28 1.22 2.07 -0.91 -2.55 116.25 115.96 1r6p h VAL 79 Ca -0.01 -0.31 0.38 0.00 0.82 0.00 0.00 66.70 67.59 1r6p h VAL 79 Cb 1.12 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 32.01 1r6p h VAL 79 CO 0.09 0.09 0.86 -0.03 0.02 0.00 0.00 177.57 178.60 1r6p h MET 80 N -0.04 0.14 0.55 1.57 -1.53 -1.28 0.44 114.93 114.79 1r6p h MET 80 Ca 0.02 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.24 1r6p h MET 80 Cb 0.12 -0.03 0.01 0.00 -0.55 0.00 0.00 31.60 31.14 1r6p h MET 80 CO -0.00 0.09 -0.26 1.98 0.14 0.00 0.00 176.91 178.86 1r6p h MET 81 N 0.15 -0.71 -0.02 0.39 -1.53 -1.55 -3.05 114.93 108.59 1r6p h MET 81 Ca 0.71 0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.97 1r6p h MET 81 Cb 2.33 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 33.53 1r6p h MET 81 CO -0.24 -0.41 -0.21 -0.39 0.14 0.00 0.00 176.91 175.80 1r6p h VAL 82 N -1.02 1.16 -0.89 -5.77 -1.51 -1.04 -2.40 116.25 104.79 1r6p h VAL 82 Ca -0.08 -0.77 0.14 0.00 -1.23 0.00 0.00 66.70 64.77 1r6p h VAL 82 Cb 0.64 1.38 -0.07 0.00 -2.13 0.00 0.00 31.29 31.11 1r6p h VAL 82 CO 0.12 0.22 0.57 0.03 -1.23 0.00 0.00 177.57 177.29 1r6p h ARG 83 N 0.04 0.66 0.10 5.19 3.08 -0.14 0.38 114.38 123.68 1r6p h ARG 83 Ca 0.01 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1r6p h ARG 83 Cb 0.39 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.30 1r6p h ARG 83 CO 0.03 0.44 -0.91 0.00 -1.07 0.00 0.00 179.97 178.45 1r6p h MET 85 N -0.50 -0.89 -5.78 0.00 1.85 -1.04 -3.43 114.93 105.14 1r6p h MET 85 Ca -0.19 0.06 -0.67 0.00 -0.61 0.00 0.00 59.70 58.30 1r6p h MET 85 Cb 1.55 0.20 -0.20 0.00 0.43 0.00 0.00 31.60 33.59 1r6p h MET 85 CO 0.07 -0.59 -0.68 0.21 -0.40 0.00 0.00 176.91 175.52 1r6p s LYS 86 N -5.00 3.14 0.00 0.39 2.36 0.13 -4.87 119.74 115.88 1r6p s LYS 86 Ca -0.13 -0.53 0.00 0.00 -2.55 0.00 0.00 55.97 52.76 1r6p s LYS 86 Cb 0.01 -2.73 0.00 0.00 -1.05 0.00 0.00 37.83 34.06 1r6p s LYS 86 CO 0.40 0.50 0.00 -3.47 1.55 0.00 0.00 175.35 174.33 1r6p n ASP 87 N 2.74 0.00 -0.10 1.43 -0.08 -1.26 -4.11 116.55 115.16 1r6p n ASP 87 Ca -0.18 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.89 1r6p n ASP 87 Cb 0.53 0.11 -0.07 0.00 2.34 0.00 0.00 41.12 44.03 1r6p n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1r6p n ASP 88 N -1.53 1.51 0.00 1.67 9.92 -1.26 -5.11 116.55 121.76 1r6p n ASP 88 Ca 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1r6p n ASP 88 Cb 0.00 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13