#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 -7.55 0.00 6.12 4.13 -1.26 -4.97 115.26 111.73 1r6p n ASN 2 Ca 0.00 1.41 0.11 0.00 1.68 0.00 0.00 54.58 57.77 1r6p n ASN 2 Cb 0.00 -5.23 -0.10 0.00 -1.54 0.00 0.00 39.78 32.91 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1r6p n ASP 3 N 0.79 0.51 0.23 6.41 9.92 -1.26 -4.29 116.55 128.86 1r6p n ASP 3 Ca -0.03 -0.40 0.06 0.00 -0.53 0.00 0.00 54.79 53.90 1r6p n ASP 3 Cb 0.06 1.34 0.55 0.00 -0.64 0.00 0.00 41.12 42.43 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 0.00 1.07 -0.19 0.53 -0.00 -2.01 -1.60 117.51 115.31 1r6p h ILE 4 Ca 0.00 -0.34 -0.11 0.00 -0.00 0.00 0.00 64.86 64.41 1r6p h ILE 4 Cb 0.76 1.15 -0.01 0.00 -0.00 0.00 0.00 36.82 38.72 1r6p h ILE 4 CO 0.00 0.10 -0.34 1.88 -0.00 0.00 0.00 178.15 179.79 1r6p h TYR 5 N 0.03 0.46 0.00 0.16 -1.99 -1.97 -2.57 116.97 111.09 1r6p h TYR 5 Ca 0.01 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 1r6p h TYR 5 Cb 0.17 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 38.79 1r6p h TYR 5 CO 0.00 0.69 -0.01 0.87 -0.00 0.00 0.00 178.16 179.71 1r6p h LYS 6 N 0.34 0.00 -0.17 4.88 6.56 -1.54 -3.01 116.57 123.64 1r6p h LYS 6 Ca 0.04 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.58 1r6p h LYS 6 Cb 0.76 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.41 1r6p h LYS 6 CO 0.06 0.01 -0.13 0.00 -2.06 0.00 0.00 179.45 177.33 1r6p h ALA 7 N 1.99 1.46 -0.06 3.86 0.00 -1.24 -1.12 119.26 124.15 1r6p h ALA 7 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1r6p h ALA 7 Cb 0.61 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r6p h ALA 7 CO 0.00 0.38 -0.40 0.00 0.00 0.00 0.00 179.25 179.23 1r6p h ALA 8 N 1.61 0.13 0.00 0.00 0.00 -1.64 -2.78 119.26 116.58 1r6p h ALA 8 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1r6p h ALA 8 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1r6p h ALA 8 CO 0.02 0.25 -0.08 -0.24 0.00 0.00 0.00 179.25 179.20 1r6p h VAL 9 N -0.12 0.28 0.00 0.00 3.04 -1.60 -0.10 116.25 117.76 1r6p h VAL 9 Ca -0.03 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1r6p h VAL 9 Cb 1.07 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1r6p h VAL 9 CO 0.08 0.08 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.18 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 5.08 -1.15 -3.33 114.58 119.35 1r6p h GLU 10 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1r6p h GLU 10 Cb 0.43 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1r6p h GLU 10 CO 0.01 0.00 -0.46 0.00 -1.00 0.00 0.00 179.01 177.56 1r6p n GLN 11 N -2.93 0.99 -1.83 2.33 10.64 -0.77 -5.08 117.38 120.74 1r6p n GLN 11 Ca 0.03 -2.55 -0.29 0.00 -1.83 0.00 0.00 57.00 52.36 1r6p n GLN 11 Cb 0.52 -1.13 0.20 0.00 -0.86 0.00 0.00 30.24 28.97 1r6p n GLN 11 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1r6p n LEU 12 N -0.76 0.00 -4.98 2.61 -0.00 -0.12 -5.01 117.00 108.74 1r6p n LEU 12 Ca 0.13 -1.42 -0.18 0.00 -0.00 0.00 0.00 56.01 54.54 1r6p n LEU 12 Cb 0.76 -1.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1r6p n LEU 12 CO -0.02 -1.46 0.10 0.42 -0.00 0.00 0.00 177.39 176.43 1r6p s THR 13 N -3.81 3.25 0.27 1.47 -4.23 -1.26 -5.00 115.64 106.32 1r6p s THR 13 Ca 0.74 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1r6p s THR 13 Cb -0.02 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.76 1r6p s THR 13 CO 0.52 -0.05 1.69 0.44 -0.54 0.00 0.00 174.62 176.68 1r6p h ASP 14 N 0.78 0.51 0.28 3.99 5.19 -1.99 -2.21 116.42 122.97 1r6p h ASP 14 Ca -0.42 -0.19 -0.12 0.00 -0.62 0.00 0.00 57.03 55.69 1r6p h ASP 14 Cb 1.27 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1r6p h ASP 14 CO 0.49 0.78 -0.46 -0.33 -3.12 0.00 0.00 179.24 176.60 1r6p h GLU 15 N 0.43 0.22 -0.02 3.56 4.39 -1.97 0.12 114.58 121.32 1r6p h GLU 15 Ca 0.06 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1r6p h GLU 15 Cb 0.73 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1r6p h GLU 15 CO 0.06 0.64 -0.00 0.37 -1.16 0.00 0.00 179.01 178.92 1r6p h GLN 16 N 0.18 0.03 -0.01 2.33 4.15 -1.84 -1.31 115.11 118.64 1r6p h GLN 16 Ca 0.01 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 1r6p h GLN 16 Cb 0.89 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1r6p h GLN 16 CO 0.07 0.36 -0.66 1.57 -1.93 0.00 0.00 178.83 178.24 1r6p h LYS 17 N -0.29 0.04 -0.22 1.69 5.09 -1.38 -2.99 116.57 118.50 1r6p h LYS 17 Ca 0.01 -0.03 -0.08 0.00 0.09 0.00 0.00 60.65 60.64 1r6p h LYS 17 Cb 0.34 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 1r6p h LYS 17 CO 0.00 0.68 -0.20 -0.91 -2.09 0.00 0.00 179.45 176.93 1r6p h ASN 18 N 0.03 0.38 -0.34 7.07 2.35 -0.68 0.45 115.58 124.83 1r6p h ASN 18 Ca -0.01 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1r6p h ASN 18 Cb 1.16 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.39 1r6p h ASN 18 CO 0.09 0.59 0.10 -0.08 -1.65 0.00 0.00 177.43 176.48 1r6p h GLU 19 N 0.35 0.23 0.12 0.81 4.81 -1.08 -0.07 114.58 119.75 1r6p h GLU 19 Ca 0.06 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.08 1r6p h GLU 19 Cb 0.55 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.89 1r6p h GLU 19 CO 0.04 0.15 -0.89 0.74 -0.73 0.00 0.00 179.01 178.33 1r6p h PHE 20 N 0.24 0.47 -0.83 0.92 0.04 -1.57 -3.33 116.94 112.88 1r6p h PHE 20 Ca 0.15 -0.34 0.20 0.00 2.80 0.00 0.00 57.97 60.78 1r6p h PHE 20 Cb 0.14 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 1r6p h PHE 20 CO -0.15 1.34 0.56 -0.22 -0.60 0.00 0.00 178.31 179.24 1r6p h LYS 21 N -0.42 0.28 0.45 1.51 3.11 -0.03 0.37 116.57 121.83 1r6p h LYS 21 Ca -0.17 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.63 1r6p h LYS 21 Cb 1.61 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.77 1r6p h LYS 21 CO 0.11 0.19 -0.25 0.00 -2.81 0.00 0.00 179.45 176.69 1r6p h ALA 22 N 1.62 -0.65 -0.39 5.00 0.00 -1.11 0.33 119.26 124.06 1r6p h ALA 22 Ca 0.42 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1r6p h ALA 22 Cb 1.19 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1r6p h ALA 22 CO -0.12 -0.87 -0.17 0.00 0.00 0.00 0.00 179.25 178.09 1r6p h ALA 23 N -0.12 0.96 -0.62 0.00 0.00 -1.42 -2.86 119.26 115.19 1r6p h ALA 23 Ca -0.05 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1r6p h ALA 23 Cb 0.52 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1r6p h ALA 23 CO 0.07 0.61 0.39 0.35 0.00 0.00 0.00 179.25 180.67 1r6p h PHE 24 N 0.66 0.74 -0.25 0.00 3.04 0.01 -0.19 116.94 120.96 1r6p h PHE 24 Ca 0.10 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1r6p h PHE 24 Cb 0.65 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1r6p h PHE 24 CO 0.03 0.43 0.11 0.22 -2.02 0.00 0.00 178.31 177.09 1r6p h ASP 25 N 0.78 0.33 -0.48 0.41 1.82 -0.17 0.17 116.42 119.29 1r6p h ASP 25 Ca 0.24 -0.15 -0.14 0.00 -0.39 0.00 0.00 57.03 56.60 1r6p h ASP 25 Cb -0.01 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1r6p h ASP 25 CO -0.09 0.39 -0.23 0.16 -1.61 0.00 0.00 179.24 177.86 1r6p h ILE 26 N 0.26 1.27 -0.03 2.25 3.07 -1.31 -2.24 117.51 120.77 1r6p h ILE 26 Ca 0.08 -1.40 -0.16 0.00 1.55 0.00 0.00 64.86 64.94 1r6p h ILE 26 Cb 0.15 1.14 -0.01 0.00 -0.27 0.00 0.00 36.82 37.83 1r6p h ILE 26 CO -0.01 0.48 -0.69 -0.26 -1.05 0.00 0.00 178.15 176.63 1r6p h PHE 27 N 0.86 0.22 -0.95 0.16 0.04 -0.97 -3.10 116.94 113.20 1r6p h PHE 27 Ca 0.11 -0.09 -0.60 0.00 2.80 0.00 0.00 57.97 60.18 1r6p h PHE 27 Cb 0.82 -0.03 -0.30 0.00 2.20 0.00 0.00 35.95 38.64 1r6p h PHE 27 CO 0.05 0.79 0.64 1.51 -0.60 0.00 0.00 178.31 180.71 1r6p n ILE 28 N -3.79 3.39 -0.04 -0.55 0.00 0.59 -4.56 119.36 114.40 1r6p n ILE 28 Ca -0.02 -2.77 -0.10 0.00 0.00 0.00 0.00 62.75 59.86 1r6p n ILE 28 Cb 0.67 -0.94 -0.09 0.00 0.00 0.00 0.00 39.64 39.28 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 1.71 -0.04 -0.01 9.51 4.15 -1.32 -3.33 115.11 125.77 1r6p h GLN 29 Ca 0.58 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.00 1r6p h GLN 29 Cb 1.43 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.13 1r6p h GLN 29 CO 1.35 0.59 -0.03 -0.25 -1.93 0.00 0.00 178.83 178.56 1r6p n ASP 30 N -4.72 1.43 -4.88 -0.69 9.92 -1.26 -4.90 116.55 111.45 1r6p n ASP 30 Ca -0.07 -1.42 -0.32 0.00 -0.53 0.00 0.00 54.79 52.45 1r6p n ASP 30 Cb 0.32 0.01 -0.05 0.00 -0.64 0.00 0.00 41.12 40.76 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 3.59 -0.35 2.24 0.00 -1.25 -5.01 121.76 118.91 1r6p s ALA 31 Ca 0.36 -0.32 0.11 0.00 0.00 0.00 0.00 51.96 52.12 1r6p s ALA 31 Cb 0.21 -2.40 0.45 0.00 0.00 0.00 0.00 23.12 21.38 1r6p s ALA 31 CO 0.36 0.51 1.10 0.39 0.00 0.00 0.00 175.76 178.11 1r6p n GLU 32 N -0.17 2.75 0.00 0.00 1.02 -1.26 -4.76 120.64 118.22 1r6p n GLU 32 Ca 0.00 -4.01 0.00 0.00 -0.02 0.00 0.00 57.16 53.13 1r6p n GLU 32 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1r6p n ASP 33 N -0.47 1.46 0.00 1.62 5.68 -1.26 -5.07 116.55 118.51 1r6p n ASP 33 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 1r6p n ASP 33 Cb 0.79 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r6p n GLY 34 N 2.77 1.28 3.55 6.12 0.00 -1.26 -5.13 105.19 112.51 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 -0.87 2.01 -0.42 0.00 -5.25 0.35 -4.78 121.20 112.24 1r6p s ILE 36 Ca -0.08 -0.43 -0.20 0.00 -0.99 0.00 0.00 60.65 58.94 1r6p s ILE 36 Cb -0.01 -2.58 0.02 0.00 2.95 0.00 0.00 42.46 42.84 1r6p s ILE 36 CO 0.08 0.00 0.63 -0.55 -1.79 0.00 0.00 174.94 173.31 1r6p s SER 37 N -4.85 6.33 0.28 4.36 0.15 -1.26 -1.72 113.70 116.98 1r6p s SER 37 Ca 0.71 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1r6p s SER 37 Cb -0.03 -2.32 0.52 0.00 -1.71 0.00 0.00 66.02 62.48 1r6p s SER 37 CO 0.48 -0.73 1.85 0.71 1.20 0.00 0.00 173.24 176.74 1r6p h THR 38 N 5.83 0.96 0.00 6.45 1.35 -1.80 0.19 112.91 125.89 1r6p h THR 38 Ca -0.26 -0.36 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 1r6p h THR 38 Cb 1.10 -0.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1r6p h THR 38 CO 0.88 0.19 -0.11 0.07 -0.25 0.00 0.00 175.52 176.29 1r6p h LYS 39 N 1.04 0.00 -0.56 4.72 -0.00 -1.92 -1.46 116.57 118.39 1r6p h LYS 39 Ca 0.48 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.97 1r6p h LYS 39 Cb 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 32.23 32.54 1r6p h LYS 39 CO -0.24 0.11 0.15 0.39 -0.00 0.00 0.00 179.45 179.86 1r6p n GLU 40 N -4.12 3.11 0.26 0.07 1.02 0.55 -4.56 120.64 116.97 1r6p n GLU 40 Ca -0.02 -3.05 0.11 0.00 -0.02 0.00 0.00 57.16 54.18 1r6p n GLU 40 Cb 0.19 -2.05 0.72 0.00 -0.02 0.00 0.00 31.44 30.29 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 2.07 0.00 -1.58 -4.62 6.46 -0.13 -2.01 115.31 115.51 1r6p h LEU 41 Ca 0.21 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 58.07 1r6p h LEU 41 Cb 2.01 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.90 1r6p h LEU 41 CO 0.56 0.09 0.44 1.23 -0.62 0.00 0.00 178.44 180.13 1r6p h GLY 42 N 0.42 0.67 2.00 3.75 0.00 -1.82 0.34 103.07 108.44 1r6p h GLY 42 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1r6p h GLY 42 CO 0.01 0.11 -0.21 0.50 0.00 0.00 0.00 176.54 176.95 1r6p h LYS 43 N 0.46 0.00 0.07 4.80 1.57 -1.73 -1.75 116.57 119.99 1r6p h LYS 43 Ca 0.31 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.73 1r6p h LYS 43 Cb 0.58 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1r6p h LYS 43 CO -0.09 0.21 -2.06 1.33 -0.57 0.00 0.00 179.45 178.27 1r6p n VAL 44 N -3.71 1.68 -0.25 0.50 0.24 0.42 -3.97 118.33 113.24 1r6p n VAL 44 Ca -0.01 -0.68 -0.05 0.00 -2.04 0.00 0.00 64.34 61.55 1r6p n VAL 44 Cb 0.33 -1.48 0.05 0.00 -1.47 0.00 0.00 33.84 31.26 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 0.04 0.92 -0.17 7.34 2.86 -0.36 -0.16 114.93 125.41 1r6p h MET 45 Ca -0.44 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.14 1r6p h MET 45 Cb 2.02 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1r6p h MET 45 CO 0.05 0.64 0.11 0.07 1.06 0.00 0.00 176.91 178.84 1r6p h ARG 46 N 0.93 0.20 0.00 1.72 0.11 -0.50 -0.53 114.38 116.31 1r6p h ARG 46 Ca 0.25 -0.01 -0.18 0.00 0.10 0.00 0.00 59.98 60.13 1r6p h ARG 46 Cb -0.06 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 30.95 1r6p h ARG 46 CO -0.05 0.13 -0.89 0.52 0.10 0.00 0.00 179.97 179.79 1r6p h MET 47 N 0.21 0.00 0.00 0.08 2.86 -1.43 -3.23 114.93 113.42 1r6p h MET 47 Ca 0.06 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1r6p h MET 47 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1r6p h MET 47 CO -0.01 0.85 -0.56 -0.07 1.06 0.00 0.00 176.91 178.18 1r6p h LEU 48 N 0.00 0.00 0.00 1.22 -0.00 0.29 -3.47 115.31 113.35 1r6p h LEU 48 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1r6p h LEU 48 Cb 1.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.33 1r6p h LEU 48 CO 0.11 0.56 0.00 0.61 -0.00 0.00 0.00 178.44 179.73 1r6p n GLY 49 N 0.25 1.49 3.40 0.83 0.00 -0.47 -5.10 105.19 105.59 1r6p n GLY 49 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.09 1.19 -0.38 1.61 -2.07 -0.34 -5.02 119.66 114.56 1r6p s GLN 50 Ca 0.00 -0.44 0.05 0.00 -1.82 0.00 0.00 55.36 53.15 1r6p s GLN 50 Cb 0.00 0.54 0.17 0.00 -1.09 0.00 0.00 33.01 32.63 1r6p s GLN 50 CO 0.00 -0.49 0.49 1.21 -1.32 0.00 0.00 175.29 175.18 1r6p s ASN 51 N -2.56 -0.08 0.07 12.60 3.84 -1.26 -1.79 114.94 125.76 1r6p s ASN 51 Ca -0.00 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.93 1r6p s ASN 51 Cb -0.00 1.22 0.00 0.00 -0.55 0.00 0.00 41.25 41.91 1r6p s ASN 51 CO -0.10 -0.23 0.00 -0.81 -2.79 0.00 0.00 177.10 173.17 1r6p n PRO 52 N 4.41 1.06 -3.23 0.43 -0.04 -1.26 -5.11 135.00 131.26 1r6p n PRO 52 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1r6p n PRO 52 Cb 0.51 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.07 2.11 0.03 0.52 -4.23 -1.26 -4.93 115.64 107.94 1r6p s THR 53 Ca 0.00 -1.12 0.19 0.00 -1.18 0.00 0.00 61.69 59.58 1r6p s THR 53 Cb 0.00 -2.23 0.13 0.00 1.34 0.00 0.00 72.50 71.75 1r6p s THR 53 CO 0.00 0.00 1.64 1.55 -0.54 0.00 0.00 174.62 177.27 1r6p h PRO 54 N 0.36 0.00 0.26 3.99 0.13 -1.99 -0.04 132.00 134.71 1r6p h PRO 54 Ca -0.32 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.29 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.46 1r6p h PRO 54 CO 0.45 0.38 -1.50 0.93 -0.23 0.00 0.00 178.00 178.03 1r6p h GLU 55 N 0.00 0.54 -0.01 0.86 5.08 -2.00 -3.02 114.58 116.04 1r6p h GLU 55 Ca -0.00 -0.93 -0.21 0.00 -1.00 0.00 0.00 59.36 57.22 1r6p h GLU 55 Cb 1.05 0.35 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1r6p h GLU 55 CO 0.05 1.44 -0.89 1.49 -1.00 0.00 0.00 179.01 180.10 1r6p h GLU 56 N 0.15 0.33 -0.37 2.33 4.57 -1.95 -2.67 114.58 116.97 1r6p h GLU 56 Ca -0.26 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.57 1r6p h GLU 56 Cb 2.18 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.84 1r6p h GLU 56 CO 0.28 1.03 0.22 1.25 -1.18 0.00 0.00 179.01 180.61 1r6p h LEU 57 N 0.19 0.44 -1.02 1.64 7.12 -1.10 -2.20 115.31 120.39 1r6p h LEU 57 Ca -0.06 -0.05 -0.07 0.00 0.13 0.00 0.00 57.88 57.83 1r6p h LEU 57 Cb 1.52 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.52 1r6p h LEU 57 CO 0.15 0.36 -0.10 -0.61 -0.13 0.00 0.00 178.44 178.11 1r6p h GLN 58 N 0.48 0.60 -0.62 1.25 5.75 -1.55 -2.59 115.11 118.42 1r6p h GLN 58 Ca 0.13 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1r6p h GLN 58 Cb -0.00 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1r6p h GLN 58 CO -0.03 0.69 0.41 0.93 -2.65 0.00 0.00 178.83 178.19 1r6p h GLU 59 N 0.55 0.81 -0.35 1.69 4.39 -1.06 0.14 114.58 120.76 1r6p h GLU 59 Ca 0.10 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1r6p h GLU 59 Cb 0.50 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1r6p h GLU 59 CO 0.03 0.54 -0.00 0.52 -1.16 0.00 0.00 179.01 178.93 1r6p h MET 60 N 0.84 0.62 -0.13 2.33 2.86 -1.02 -1.70 114.93 118.73 1r6p h MET 60 Ca 0.23 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1r6p h MET 60 Cb -0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1r6p h MET 60 CO -0.05 0.74 -0.00 0.82 1.06 0.00 0.00 176.91 179.47 1r6p h ILE 61 N 0.43 1.26 -0.35 -1.22 2.04 -1.28 0.26 117.51 118.65 1r6p h ILE 61 Ca 0.10 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.19 1r6p h ILE 61 Cb 0.46 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1r6p h ILE 61 CO 0.02 0.24 0.24 0.44 0.00 0.00 0.00 178.15 179.09 1r6p h ASP 62 N -0.04 0.13 0.00 1.72 5.19 -0.71 0.49 116.42 123.20 1r6p h ASP 62 Ca 0.04 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.34 1r6p h ASP 62 Cb 0.37 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1r6p h ASP 62 CO 0.01 0.09 -0.64 -0.33 -3.12 0.00 0.00 179.24 175.25 1r6p h GLU 63 N 0.15 0.00 0.50 3.56 4.39 -1.09 -3.42 114.58 118.68 1r6p h GLU 63 Ca 0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1r6p h GLU 63 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1r6p h GLU 63 CO -0.02 0.73 -0.24 0.28 -1.16 0.00 0.00 179.01 178.60 1r6p h VAL 64 N -1.00 0.00 -1.27 3.13 2.07 -0.36 -3.41 116.25 115.41 1r6p h VAL 64 Ca -0.15 -0.35 -0.37 0.00 0.82 0.00 0.00 66.70 66.65 1r6p h VAL 64 Cb 0.95 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1r6p h VAL 64 CO -0.09 0.00 1.31 -0.67 0.02 0.00 0.00 177.57 178.14 1r6p n ASP 65 N -4.78 2.10 -0.08 0.57 -0.08 0.17 -4.79 116.55 109.67 1r6p n ASP 65 Ca -0.08 -0.70 -0.04 0.00 -1.51 0.00 0.00 54.79 52.46 1r6p n ASP 65 Cb 0.26 -1.57 0.17 0.00 2.34 0.00 0.00 41.12 42.32 1r6p n ASP 65 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1r6p h GLU 66 N 17.90 0.71 0.16 -0.67 -0.00 -1.82 -3.12 114.58 127.75 1r6p h GLU 66 Ca -0.18 -0.21 -0.32 0.00 -0.00 0.00 0.00 59.36 58.64 1r6p h GLU 66 Cb 1.21 -0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.90 1r6p h GLU 66 CO 1.14 0.78 -1.55 0.38 -0.00 0.00 0.00 179.01 179.76 1r6p h ASP 67 N 0.66 0.54 -3.42 3.06 2.03 -1.94 -3.49 116.42 113.86 1r6p h ASP 67 Ca 0.12 -0.70 -0.14 0.00 -0.73 0.00 0.00 57.03 55.58 1r6p h ASP 67 Cb 0.52 -0.18 0.07 0.00 -0.83 0.00 0.00 39.33 38.91 1r6p h ASP 67 CO 0.03 1.58 -0.31 0.61 -1.03 0.00 0.00 179.24 180.12 1r6p n GLY 68 N 1.71 0.15 0.32 7.15 0.00 -1.18 -4.94 105.19 108.40 1r6p n GLY 68 Ca -0.18 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.66 0.99 -0.33 1.61 3.41 -1.26 -4.89 113.62 111.49 1r6p n SER 69 Ca -0.10 -1.43 -0.04 0.00 -0.26 0.00 0.00 58.87 57.04 1r6p n SER 69 Cb 0.56 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 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 1.07 0.63 3.01 5.00 0.00 -1.26 -5.02 105.19 108.62 1r6p n GLY 70 Ca 0.19 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.16 -0.10 -0.28 2.61 -4.23 -1.26 -2.36 115.64 107.86 1r6p s THR 71 Ca 0.00 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.50 1r6p s THR 71 Cb 0.00 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.46 1r6p s THR 71 CO 0.00 0.08 0.57 -0.69 -0.54 0.00 0.00 174.62 174.04 1r6p s VAL 72 N 1.46 5.01 0.76 2.29 1.01 -0.70 -4.80 120.40 125.43 1r6p s VAL 72 Ca -0.07 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.70 1r6p s VAL 72 Cb -0.11 -3.91 0.08 0.00 0.00 0.00 0.00 36.38 32.44 1r6p s VAL 72 CO -0.08 -0.01 1.10 -1.81 0.00 0.00 0.00 175.10 174.30 1r6p s ASP 73 N 1.57 4.58 0.32 3.32 1.11 -1.26 -0.49 116.67 125.82 1r6p s ASP 73 Ca 0.23 0.57 0.01 0.00 0.18 0.00 0.00 52.55 53.54 1r6p s ASP 73 Cb -0.15 -1.11 0.55 0.00 1.07 0.00 0.00 42.92 43.27 1r6p s ASP 73 CO 0.10 -1.80 1.96 0.15 1.18 0.00 0.00 175.17 176.77 1r6p h PHE 74 N -0.85 0.86 -0.55 4.23 3.57 -1.98 0.85 116.94 123.07 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 1.32 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1r6p h PHE 74 CO 0.23 0.58 0.12 -0.44 -2.23 0.00 0.00 178.31 176.57 1r6p h ASP 75 N 0.90 0.84 1.13 0.41 5.19 -1.94 -1.39 116.42 121.57 1r6p h ASP 75 Ca 0.24 -0.24 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1r6p h ASP 75 Cb -0.02 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 1r6p h ASP 75 CO -0.04 0.86 -0.42 -0.33 -3.12 0.00 0.00 179.24 176.19 1r6p h GLU 76 N 0.78 0.00 0.24 3.56 5.08 -1.72 -2.45 114.58 120.08 1r6p h GLU 76 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1r6p h GLU 76 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1r6p h GLU 76 CO 0.00 0.42 -0.12 0.35 -1.00 0.00 0.00 179.01 178.67 1r6p h PHE 77 N 0.00 -0.30 -0.00 4.33 3.57 0.12 -2.10 116.94 122.55 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 1.10 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1r6p h PHE 77 CO 0.00 0.05 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.70 1r6p h LEU 78 N -0.71 0.01 0.15 0.59 4.07 -1.34 -3.05 115.31 115.04 1r6p h LEU 78 Ca -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1r6p h LEU 78 Cb 0.49 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1r6p h LEU 78 CO 0.05 0.37 -0.07 0.58 -1.08 0.00 0.00 178.44 178.29 1r6p h VAL 79 N 0.01 0.92 -1.31 1.22 2.07 -1.40 -2.72 116.25 115.04 1r6p h VAL 79 Ca -0.00 -0.31 0.39 0.00 0.82 0.00 0.00 66.70 67.60 1r6p h VAL 79 Cb 0.65 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 1r6p h VAL 79 CO 0.05 0.07 0.89 -0.03 0.02 0.00 0.00 177.57 178.57 1r6p h MET 80 N -0.35 0.13 0.29 1.57 -1.53 -1.26 0.17 114.93 113.95 1r6p h MET 80 Ca -0.02 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1r6p h MET 80 Cb 0.28 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.30 1r6p h MET 80 CO 0.03 0.08 -0.14 1.98 0.14 0.00 0.00 176.91 179.01 1r6p h MET 81 N 0.13 -0.37 0.00 0.39 -1.53 -1.54 -2.76 114.93 109.25 1r6p h MET 81 Ca 0.72 0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.97 1r6p h MET 81 Cb 2.40 0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 33.53 1r6p h MET 81 CO -0.23 -0.04 -0.17 -0.39 0.14 0.00 0.00 176.91 176.22 1r6p h VAL 82 N -0.77 0.78 0.00 -5.77 -1.51 -1.02 -1.33 116.25 106.63 1r6p h VAL 82 Ca -0.04 -0.66 -0.06 0.00 -1.23 0.00 0.00 66.70 64.72 1r6p h VAL 82 Cb 0.50 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1r6p h VAL 82 CO 0.06 0.16 -0.28 0.03 -1.23 0.00 0.00 177.57 176.32 1r6p h ARG 83 N 0.00 0.00 0.09 5.19 3.08 -0.66 0.40 114.38 122.47 1r6p h ARG 83 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1r6p h ARG 83 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1r6p h ARG 83 CO 0.02 0.28 -1.91 0.00 -1.07 0.00 0.00 179.97 177.30 1r6p h MET 85 N 0.05 0.56 -6.35 0.00 4.05 -1.18 -3.45 114.93 108.61 1r6p h MET 85 Ca -0.38 -0.59 -0.60 0.00 -0.28 0.00 0.00 59.70 57.85 1r6p h MET 85 Cb 2.03 0.16 -0.12 0.00 -0.80 0.00 0.00 31.60 32.87 1r6p h MET 85 CO 0.09 1.20 -0.69 0.21 0.23 0.00 0.00 176.91 177.96 1r6p s LYS 86 N -3.32 2.21 -0.76 0.39 2.36 0.14 -4.75 119.74 116.02 1r6p s LYS 86 Ca -0.12 -1.27 -0.03 0.00 -2.55 0.00 0.00 55.97 52.01 1r6p s LYS 86 Cb 0.05 -2.21 -0.03 0.00 -1.05 0.00 0.00 37.83 34.59 1r6p s LYS 86 CO 0.87 0.42 0.65 -3.47 1.55 0.00 0.00 175.35 175.37 1r6p n ASP 87 N -0.24 -4.02 -3.18 1.43 2.03 -1.26 -4.31 116.55 106.98 1r6p n ASP 87 Ca -0.09 -0.46 0.02 0.00 0.52 0.00 0.00 54.79 54.78 1r6p n ASP 87 Cb 0.56 -3.70 -0.02 0.00 -0.72 0.00 0.00 41.12 37.24 1r6p n ASP 87 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1r6p s ASP 88 N -3.51 -1.18 0.00 1.67 -4.77 -1.26 -4.90 116.67 102.72 1r6p s ASP 88 Ca 0.20 0.81 0.14 0.00 -3.30 0.00 0.00 52.55 50.40 1r6p s ASP 88 Cb -0.03 2.04 0.11 0.00 -1.09 0.00 0.00 42.92 43.96 1r6p s ASP 88 CO 0.50 -0.26 0.94 -0.24 0.70 0.00 0.00 175.17 176.81