#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 5.12 -0.27 6.12 6.94 -1.26 -4.66 115.26 127.25 1r6p n ASN 2 Ca 0.00 -3.76 0.12 0.00 -0.02 0.00 0.00 54.58 50.92 1r6p n ASN 2 Cb 0.00 -0.44 0.28 0.00 -2.36 0.00 0.00 39.78 37.26 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 -0.76 1.18 0.01 0.53 9.92 -1.26 -4.20 116.55 121.96 1r6p n ASP 3 Ca 0.45 -0.96 0.18 0.00 -0.53 0.00 0.00 54.79 53.93 1r6p n ASP 3 Cb 0.92 0.24 0.66 0.00 -0.64 0.00 0.00 41.12 42.31 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 1.31 0.77 -0.28 0.53 -2.65 -1.99 0.11 117.51 115.31 1r6p h ILE 4 Ca 0.00 -0.02 -0.08 0.00 1.03 0.00 0.00 64.86 65.79 1r6p h ILE 4 Cb 0.55 0.72 -0.01 0.00 -2.05 0.00 0.00 36.82 36.04 1r6p h ILE 4 CO 0.00 0.01 -0.15 1.88 0.03 0.00 0.00 178.15 179.91 1r6p h TYR 5 N 0.05 0.69 0.00 0.16 0.05 -1.95 -3.07 116.97 112.89 1r6p h TYR 5 Ca 0.24 -0.18 -0.12 0.00 0.05 0.00 0.00 58.73 58.72 1r6p h TYR 5 Cb 0.89 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 1r6p h TYR 5 CO -0.00 0.85 -0.59 0.87 -1.05 0.00 0.00 178.16 178.24 1r6p h LYS 6 N 0.33 0.00 -0.65 4.88 6.56 -1.48 -3.15 116.57 123.05 1r6p h LYS 6 Ca 0.06 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1r6p h LYS 6 Cb 0.68 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.31 1r6p h LYS 6 CO 0.04 0.59 0.32 0.00 -2.06 0.00 0.00 179.45 178.34 1r6p h ALA 7 N 1.41 1.34 -0.07 3.86 0.00 -0.76 0.23 119.26 125.27 1r6p h ALA 7 Ca -0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1r6p h ALA 7 Cb 1.16 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1r6p h ALA 7 CO 0.08 0.52 -0.42 0.00 0.00 0.00 0.00 179.25 179.43 1r6p h ALA 8 N 1.43 0.15 0.00 0.00 0.00 -1.52 -2.82 119.26 116.49 1r6p h ALA 8 Ca 0.23 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1r6p h ALA 8 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r6p h ALA 8 CO -0.03 0.28 -0.06 -0.24 0.00 0.00 0.00 179.25 179.20 1r6p h VAL 9 N -0.06 0.19 0.00 0.00 3.04 -1.49 -0.27 116.25 117.66 1r6p h VAL 9 Ca -0.03 -0.54 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 1r6p h VAL 9 Cb 1.08 1.45 -0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1r6p h VAL 9 CO 0.09 0.06 -0.26 -0.33 -1.01 0.00 0.00 177.57 176.12 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 5.08 -0.89 -3.33 114.58 119.61 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 0.44 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 1r6p h GLU 10 CO 0.01 0.06 -0.44 0.00 -1.00 0.00 0.00 179.01 177.63 1r6p n GLN 11 N -3.04 1.02 -1.89 2.33 10.64 -0.83 -5.08 117.38 120.54 1r6p n GLN 11 Ca 0.03 -2.56 -0.29 0.00 -1.83 0.00 0.00 57.00 52.34 1r6p n GLN 11 Cb 0.56 -1.16 0.11 0.00 -0.86 0.00 0.00 30.24 28.90 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 -2.15 2.51 0.40 2.61 0.05 -0.17 -5.01 118.68 116.91 1r6p s LEU 12 Ca 0.31 0.68 0.08 0.00 0.05 0.00 0.00 54.13 55.24 1r6p s LEU 12 Cb 0.30 -3.07 0.00 0.00 -2.05 0.00 0.00 46.19 41.38 1r6p s LEU 12 CO -0.05 -2.12 0.53 0.42 -0.55 0.00 0.00 176.35 174.58 1r6p s THR 13 N -3.63 3.22 0.24 5.48 -4.23 -1.26 -5.02 115.64 110.45 1r6p s THR 13 Ca 0.65 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.17 1r6p s THR 13 Cb -0.10 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1r6p s THR 13 CO 0.50 -0.04 1.57 0.44 -0.54 0.00 0.00 174.62 176.56 1r6p h ASP 14 N 0.73 0.28 -0.13 3.99 3.32 -2.00 -2.86 116.42 119.74 1r6p h ASP 14 Ca -0.41 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.42 1r6p h ASP 14 Cb 1.27 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1r6p h ASP 14 CO 0.48 0.80 -0.11 1.05 -1.72 0.00 0.00 179.24 179.74 1r6p h GLU 15 N 0.18 0.47 -0.67 3.56 -0.00 -1.99 -1.52 114.58 114.62 1r6p h GLU 15 Ca -0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.36 59.20 1r6p h GLU 15 Cb 1.08 -0.05 -0.03 0.00 -0.00 0.00 0.00 28.75 29.74 1r6p h GLU 15 CO 0.09 0.58 0.29 0.37 -0.00 0.00 0.00 179.01 180.34 1r6p h GLN 16 N 0.44 0.99 -0.37 1.06 4.15 -1.91 -1.29 115.11 118.19 1r6p h GLN 16 Ca 0.08 -0.17 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 1r6p h GLN 16 Cb 0.46 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1r6p h GLN 16 CO 0.03 0.82 -0.25 0.87 -1.93 0.00 0.00 178.83 178.36 1r6p h LYS 17 N 0.95 0.75 -0.11 1.69 1.57 -1.39 -2.89 116.57 117.14 1r6p h LYS 17 Ca 0.23 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1r6p h LYS 17 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1r6p h LYS 17 CO -0.02 0.92 -0.21 -0.91 -0.57 0.00 0.00 179.45 178.66 1r6p h ASN 18 N 0.65 0.18 -0.57 0.86 2.35 -0.80 0.43 115.58 118.67 1r6p h ASN 18 Ca 0.08 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1r6p h ASN 18 Cb 0.76 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.02 1r6p h ASN 18 CO 0.06 0.40 0.24 -0.33 -1.65 0.00 0.00 177.43 176.15 1r6p h GLU 19 N 0.17 0.43 0.07 0.81 5.08 -1.02 -0.81 114.58 119.30 1r6p h GLU 19 Ca 0.03 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1r6p h GLU 19 Cb 0.47 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1r6p h GLU 19 CO 0.03 0.28 -1.49 0.74 -1.00 0.00 0.00 179.01 177.57 1r6p h PHE 20 N 0.44 0.25 -0.88 4.33 0.04 -1.59 -3.37 116.94 116.17 1r6p h PHE 20 Ca 0.27 -0.18 0.22 0.00 2.80 0.00 0.00 57.97 61.08 1r6p h PHE 20 Cb 0.28 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 1r6p h PHE 20 CO -0.14 1.59 0.60 -0.22 -0.60 0.00 0.00 178.31 179.53 1r6p h LYS 21 N -0.51 0.24 0.61 1.51 3.11 -0.11 0.35 116.57 121.77 1r6p h LYS 21 Ca -0.35 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.44 1r6p h LYS 21 Cb 1.63 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.81 1r6p h LYS 21 CO -0.05 0.16 -0.30 0.00 -2.81 0.00 0.00 179.45 176.45 1r6p h ALA 22 N 1.60 -0.83 -0.44 5.00 0.00 -1.31 0.53 119.26 123.82 1r6p h ALA 22 Ca 0.44 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1r6p h ALA 22 Cb 1.33 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1r6p h ALA 22 CO -0.11 -0.97 -0.11 0.00 0.00 0.00 0.00 179.25 178.05 1r6p h ALA 23 N -0.44 0.98 -0.47 0.00 0.00 -1.49 -2.70 119.26 115.14 1r6p h ALA 23 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1r6p h ALA 23 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1r6p h ALA 23 CO 0.13 0.61 0.25 0.35 0.00 0.00 0.00 179.25 180.59 1r6p h PHE 24 N 0.72 0.64 -0.38 0.00 3.04 -0.11 -1.80 116.94 119.05 1r6p h PHE 24 Ca 0.12 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 1r6p h PHE 24 Cb 0.60 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 1r6p h PHE 24 CO 0.03 0.49 -0.14 0.22 -2.02 0.00 0.00 178.31 176.89 1r6p h ASP 25 N 0.62 0.68 0.27 0.41 1.82 0.21 -0.70 116.42 119.73 1r6p h ASP 25 Ca 0.16 -0.21 -0.21 0.00 -0.39 0.00 0.00 57.03 56.39 1r6p h ASP 25 Cb 0.06 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.88 1r6p h ASP 25 CO -0.03 0.84 -0.84 0.16 -1.61 0.00 0.00 179.24 177.77 1r6p h ILE 26 N 0.62 1.38 0.09 2.25 3.07 -1.34 0.24 117.51 123.82 1r6p h ILE 26 Ca 0.10 -2.28 -0.26 0.00 1.55 0.00 0.00 64.86 63.97 1r6p h ILE 26 Cb 0.60 2.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 1r6p h ILE 26 CO 0.04 0.69 -1.14 -0.26 -1.05 0.00 0.00 178.15 176.42 1r6p h PHE 27 N 0.27 0.48 -0.39 0.16 0.04 -1.27 -3.24 116.94 112.98 1r6p h PHE 27 Ca -0.06 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1r6p h PHE 27 Cb 1.45 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1r6p h PHE 27 CO 0.05 1.22 0.00 0.44 -0.60 0.00 0.00 178.31 179.42 1r6p n ILE 28 N -3.58 0.51 -0.35 -0.55 -6.64 -0.27 -4.43 119.36 104.05 1r6p n ILE 28 Ca -0.07 -0.67 0.17 0.00 -1.77 0.00 0.00 62.75 60.41 1r6p n ILE 28 Cb 0.97 0.69 0.37 0.00 -1.44 0.00 0.00 39.64 40.23 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 3.70 0.60 -0.37 6.28 4.15 -0.96 0.19 115.11 128.69 1r6p h GLN 29 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1r6p h GLN 29 Cb 0.82 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1r6p h GLN 29 CO 0.00 0.40 0.01 -0.40 -1.93 0.00 0.00 178.83 176.91 1r6p n ASP 30 N -4.86 4.40 -4.91 -0.69 5.75 -1.26 -4.99 116.55 109.98 1r6p n ASP 30 Ca 0.26 -3.03 -0.31 0.00 -0.01 0.00 0.00 54.79 51.70 1r6p n ASP 30 Cb 0.71 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 40.16 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 -2.84 3.96 -0.39 2.12 0.00 0.66 -5.02 121.76 120.24 1r6p s ALA 31 Ca 0.46 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1r6p s ALA 31 Cb 0.37 -1.90 0.44 0.00 0.00 0.00 0.00 23.12 22.02 1r6p s ALA 31 CO 0.11 0.79 1.22 0.39 0.00 0.00 0.00 175.76 178.26 1r6p n GLU 32 N 0.34 3.46 0.04 0.00 1.02 -1.26 -4.70 120.64 119.55 1r6p n GLU 32 Ca -0.05 -4.26 0.00 0.00 -0.02 0.00 0.00 57.16 52.83 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 -0.61 -0.13 0.00 1.62 8.00 -1.26 -5.08 116.55 119.09 1r6p n ASP 33 Ca 0.43 0.15 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1r6p n ASP 33 Cb 0.79 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r6p n GLY 34 N 1.32 0.84 3.52 0.44 0.00 -1.26 -5.14 105.19 104.91 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 -0.74 2.43 -0.44 0.00 -5.25 0.50 -4.78 121.20 112.91 1r6p s ILE 36 Ca -0.08 -0.78 -0.22 0.00 -0.99 0.00 0.00 60.65 58.57 1r6p s ILE 36 Cb -0.02 -2.64 0.02 0.00 2.95 0.00 0.00 42.46 42.77 1r6p s ILE 36 CO 0.07 0.00 0.75 -0.55 -1.79 0.00 0.00 174.94 173.41 1r6p s SER 37 N -4.57 6.39 0.25 4.36 0.15 -1.26 -1.01 113.70 118.02 1r6p s SER 37 Ca 0.61 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 1r6p s SER 37 Cb -0.08 -2.37 0.38 0.00 -1.71 0.00 0.00 66.02 62.24 1r6p s SER 37 CO 0.39 -0.87 1.86 0.00 1.20 0.00 0.00 173.24 175.83 1r6p h THR 38 N 5.94 1.04 0.00 6.45 1.03 -1.86 0.10 112.91 125.61 1r6p h THR 38 Ca -0.25 -0.35 -0.02 0.00 -0.01 0.00 0.00 66.41 65.77 1r6p h THR 38 Cb 1.09 -0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.08 1r6p h THR 38 CO 0.94 0.19 -0.11 0.07 -0.01 0.00 0.00 175.52 176.60 1r6p h LYS 39 N 1.03 0.00 -0.51 0.00 -0.00 -1.92 -1.81 116.57 113.38 1r6p h LYS 39 Ca 0.40 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 60.82 1r6p h LYS 39 Cb 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 32.23 32.29 1r6p h LYS 39 CO -0.18 0.11 0.11 0.39 -0.00 0.00 0.00 179.45 179.87 1r6p n GLU 40 N -3.56 2.19 0.21 0.07 -0.58 0.22 -4.60 120.64 114.60 1r6p n GLU 40 Ca -0.02 -3.10 0.15 0.00 -0.42 0.00 0.00 57.16 53.77 1r6p n GLU 40 Cb 0.24 -1.93 0.62 0.00 -0.57 0.00 0.00 31.44 29.81 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 1.21 0.00 -2.00 -4.62 6.46 -0.29 -2.85 115.31 113.23 1r6p h LEU 41 Ca 0.29 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 58.16 1r6p h LEU 41 Cb 1.94 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.85 1r6p h LEU 41 CO 0.55 0.00 0.29 1.23 -0.62 0.00 0.00 178.44 179.89 1r6p h GLY 42 N 1.99 0.00 2.00 3.75 0.00 -1.82 0.30 103.07 109.29 1r6p h GLY 42 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1r6p h GLY 42 CO 0.00 0.00 -0.13 0.50 0.00 0.00 0.00 176.54 176.91 1r6p h LYS 43 N 0.00 0.00 0.04 4.80 1.57 -1.89 -2.59 116.57 118.49 1r6p h LYS 43 Ca 0.19 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.64 1r6p h LYS 43 Cb 0.76 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 1r6p h LYS 43 CO -0.00 0.13 -1.97 1.33 -0.57 0.00 0.00 179.45 178.37 1r6p n VAL 44 N -3.34 1.62 -0.28 0.50 0.24 0.90 -3.78 118.33 114.19 1r6p n VAL 44 Ca -0.00 -0.75 -0.02 0.00 -2.04 0.00 0.00 64.34 61.53 1r6p n VAL 44 Cb 0.34 -1.19 0.10 0.00 -1.47 0.00 0.00 33.84 31.62 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 0.02 0.93 -0.24 7.34 2.86 -0.95 0.98 114.93 125.86 1r6p h MET 45 Ca -0.39 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 1r6p h MET 45 Cb 2.05 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 1r6p h MET 45 CO 0.06 0.62 -0.05 0.07 1.06 0.00 0.00 176.91 178.67 1r6p h ARG 46 N 0.96 0.37 -0.08 1.72 0.11 -1.04 0.57 114.38 116.98 1r6p h ARG 46 Ca 0.32 -0.07 -0.16 0.00 0.10 0.00 0.00 59.98 60.17 1r6p h ARG 46 Cb 0.04 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1r6p h ARG 46 CO -0.12 0.43 -0.64 0.52 0.10 0.00 0.00 179.97 180.26 1r6p h MET 47 N 0.35 0.31 0.00 0.08 2.86 -1.24 -3.09 114.93 114.21 1r6p h MET 47 Ca 0.08 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 1r6p h MET 47 Cb 0.31 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1r6p h MET 47 CO 0.01 0.85 -0.82 -0.07 1.06 0.00 0.00 176.91 177.94 1r6p h LEU 48 N 0.23 0.05 0.00 1.22 4.07 -0.14 -3.47 115.31 117.26 1r6p h LEU 48 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1r6p h LEU 48 Cb 1.17 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1r6p h LEU 48 CO 0.10 0.84 0.00 0.61 -1.08 0.00 0.00 178.44 178.92 1r6p n GLY 49 N 0.80 1.97 3.30 0.83 0.00 0.13 -5.09 105.19 107.13 1r6p n GLY 49 Ca -0.01 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 -0.06 1.29 -0.44 1.61 -1.52 0.18 -4.98 119.66 115.73 1r6p s GLN 50 Ca 0.00 -1.66 0.07 0.00 -1.95 0.00 0.00 55.36 51.82 1r6p s GLN 50 Cb 0.00 -0.41 0.27 0.00 -0.22 0.00 0.00 33.01 32.65 1r6p s GLN 50 CO 0.00 -0.17 0.80 -1.71 -0.25 0.00 0.00 175.29 173.96 1r6p n ASN 51 N -0.38 -1.53 -2.23 5.90 2.85 -1.26 -2.16 115.26 116.45 1r6p n ASN 51 Ca -0.04 -3.16 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 1r6p n ASN 51 Cb 0.64 0.87 0.00 0.00 1.24 0.00 0.00 39.78 42.53 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 1.24 1.47 -3.75 1.20 -0.04 -1.26 -5.11 135.00 128.75 1r6p n PRO 52 Ca 0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1r6p n PRO 52 Cb 0.61 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.48 2.40 0.22 0.52 -4.23 -1.26 -4.99 115.64 108.78 1r6p s THR 53 Ca 0.00 -1.45 0.12 0.00 -1.18 0.00 0.00 61.69 59.18 1r6p s THR 53 Cb 0.00 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 1r6p s THR 53 CO 0.00 0.00 1.60 1.55 -0.54 0.00 0.00 174.62 177.23 1r6p h PRO 54 N 1.08 0.00 0.00 3.99 0.13 -1.99 -1.86 132.00 133.35 1r6p h PRO 54 Ca -0.41 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.50 1r6p h PRO 54 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1r6p h PRO 54 CO 0.60 0.60 -1.09 1.05 -0.23 0.00 0.00 178.00 178.94 1r6p h GLU 55 N 0.00 0.00 0.13 0.86 4.11 -1.96 -2.74 114.58 114.98 1r6p h GLU 55 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1r6p h GLU 55 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1r6p h GLU 55 CO 0.08 0.91 -0.06 1.49 0.07 0.00 0.00 179.01 181.49 1r6p h GLU 56 N 0.00 -0.17 -0.27 1.06 4.57 -1.93 -3.10 114.58 114.72 1r6p h GLU 56 Ca -0.05 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1r6p h GLU 56 Cb 1.79 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.41 1r6p h GLU 56 CO 0.12 0.28 0.10 1.37 -1.18 0.00 0.00 179.01 179.70 1r6p h LEU 57 N -0.77 0.34 -1.11 1.64 8.10 -1.47 -2.36 115.31 119.68 1r6p h LEU 57 Ca -0.02 -0.03 0.02 0.00 0.11 0.00 0.00 57.88 57.97 1r6p h LEU 57 Cb 0.54 -0.09 -0.05 0.00 -0.44 0.00 0.00 40.66 40.62 1r6p h LEU 57 CO 0.03 0.33 0.60 1.56 -4.11 0.00 0.00 178.44 176.85 1r6p h GLN 58 N 0.38 1.15 -0.35 0.17 1.08 -1.50 0.11 115.11 116.16 1r6p h GLN 58 Ca 0.10 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1r6p h GLN 58 Cb 0.10 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1r6p h GLN 58 CO -0.01 0.76 -0.13 0.93 -0.95 0.00 0.00 178.83 179.43 1r6p h GLU 59 N 1.19 0.61 -0.02 1.46 4.39 -1.35 0.15 114.58 121.02 1r6p h GLU 59 Ca 0.35 -0.19 -0.21 0.00 0.34 0.00 0.00 59.36 59.65 1r6p h GLU 59 Cb -0.05 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1r6p h GLU 59 CO -0.09 0.73 -0.82 0.52 -1.16 0.00 0.00 179.01 178.18 1r6p h MET 60 N 0.56 0.59 -0.08 2.33 2.86 -1.31 -3.09 114.93 116.79 1r6p h MET 60 Ca 0.10 -0.61 -0.02 0.00 -2.06 0.00 0.00 59.70 57.11 1r6p h MET 60 Cb 0.55 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1r6p h MET 60 CO 0.03 1.22 -0.04 0.82 1.06 0.00 0.00 176.91 180.00 1r6p h ILE 61 N 0.20 1.33 -0.92 -1.22 1.08 -0.71 -2.59 117.51 114.68 1r6p h ILE 61 Ca -0.10 -1.06 0.20 0.00 -0.39 0.00 0.00 64.86 63.51 1r6p h ILE 61 Cb 1.49 1.87 -0.07 0.00 -3.07 0.00 0.00 36.82 37.04 1r6p h ILE 61 CO 0.16 0.30 0.60 -0.78 -0.69 0.00 0.00 178.15 177.74 1r6p h ASP 62 N -0.21 0.47 -0.14 1.72 3.58 -0.80 0.87 116.42 121.91 1r6p h ASP 62 Ca 0.02 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1r6p h ASP 62 Cb 0.49 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1r6p h ASP 62 CO 0.01 0.18 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.13 1r6p h GLU 63 N 0.47 0.31 0.00 0.28 5.08 -1.44 -3.24 114.58 116.04 1r6p h GLU 63 Ca 0.49 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.54 1r6p h GLU 63 Cb 1.13 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1r6p h GLU 63 CO -0.21 0.67 -0.76 -0.24 -1.00 0.00 0.00 179.01 177.48 1r6p h VAL 64 N -0.05 1.53 -2.06 3.13 3.04 -0.77 -3.42 116.25 117.65 1r6p h VAL 64 Ca 0.03 -2.60 -0.51 0.00 -1.01 0.00 0.00 66.70 62.61 1r6p h VAL 64 Cb 0.60 2.41 -0.05 0.00 -2.01 0.00 0.00 31.29 32.24 1r6p h VAL 64 CO 0.03 0.74 1.27 -0.62 -1.01 0.00 0.00 177.57 177.97 1r6p s ASP 65 N -6.79 5.52 0.35 3.17 2.15 0.29 -4.84 116.67 116.53 1r6p s ASP 65 Ca -0.00 0.09 0.05 0.00 0.43 0.00 0.00 52.55 53.12 1r6p s ASP 65 Cb 0.12 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.85 1r6p s ASP 65 CO 0.78 -2.23 1.91 1.05 -0.17 0.00 0.00 175.17 176.52 1r6p h GLU 66 N 13.51 0.53 0.06 4.34 4.11 -1.84 -3.16 114.58 132.13 1r6p h GLU 66 Ca -0.26 -0.10 -0.36 0.00 0.07 0.00 0.00 59.36 58.72 1r6p h GLU 66 Cb 1.13 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1r6p h GLU 66 CO 1.24 0.52 -2.12 -0.40 0.07 0.00 0.00 179.01 178.32 1r6p n ASP 67 N -4.32 1.64 -2.35 3.06 5.75 -1.26 -5.02 116.55 114.05 1r6p n ASP 67 Ca 0.02 0.13 -0.09 0.00 -0.01 0.00 0.00 54.79 54.84 1r6p n ASP 67 Cb 0.21 -0.40 0.05 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.96 -0.01 0.54 6.12 0.00 -1.20 -4.93 105.19 107.67 1r6p n GLY 68 Ca -0.33 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.19 1.57 -0.65 1.61 3.41 -1.26 -4.88 113.62 111.23 1r6p n SER 69 Ca -0.16 -1.98 -0.07 0.00 -0.26 0.00 0.00 58.87 56.40 1r6p n SER 69 Cb 0.59 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.97 0.51 3.29 5.00 0.00 -1.26 -5.01 105.19 108.68 1r6p n GLY 70 Ca 0.10 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.30 0.04 -0.22 2.61 -4.23 -1.26 -3.47 115.64 106.82 1r6p s THR 71 Ca 0.00 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1r6p s THR 71 Cb 0.00 -0.67 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 1r6p s THR 71 CO 0.00 -0.19 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.18 1r6p s VAL 72 N -1.11 3.53 0.61 2.29 1.01 -0.18 -4.77 120.40 121.79 1r6p s VAL 72 Ca -0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1r6p s VAL 72 Cb -0.04 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1r6p s VAL 72 CO 0.05 0.41 0.92 -1.81 0.00 0.00 0.00 175.10 174.67 1r6p s ASP 73 N 1.45 5.40 0.48 3.32 1.01 -1.26 -0.37 116.67 126.69 1r6p s ASP 73 Ca 0.05 0.61 0.15 0.00 0.71 0.00 0.00 52.55 54.08 1r6p s ASP 73 Cb -0.14 -1.52 1.15 0.00 1.01 0.00 0.00 42.92 43.41 1r6p s ASP 73 CO -0.02 -1.18 2.05 0.15 0.21 0.00 0.00 175.17 176.38 1r6p h PHE 74 N -0.25 0.22 -0.24 4.23 3.57 -1.99 0.54 116.94 123.02 1r6p h PHE 74 Ca -0.45 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 1r6p h PHE 74 Cb 1.27 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1r6p h PHE 74 CO 0.43 0.12 -0.15 0.22 -2.23 0.00 0.00 178.31 176.71 1r6p h ASP 75 N 0.22 0.55 0.99 0.41 1.82 -1.94 -1.73 116.42 116.74 1r6p h ASP 75 Ca 0.16 -0.43 -0.05 0.00 -0.39 0.00 0.00 57.03 56.32 1r6p h ASP 75 Cb 0.34 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 1r6p h ASP 75 CO -0.03 0.86 -0.26 -0.33 -1.61 0.00 0.00 179.24 177.87 1r6p h GLU 76 N 0.25 0.00 0.16 0.28 5.08 -1.62 -1.92 114.58 116.81 1r6p h GLU 76 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1r6p h GLU 76 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1r6p h GLU 76 CO 0.04 0.26 -0.08 0.35 -1.00 0.00 0.00 179.01 178.58 1r6p h PHE 77 N 0.00 -0.21 -0.12 4.33 3.57 0.24 -2.37 116.94 122.39 1r6p h PHE 77 Ca -0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1r6p h PHE 77 Cb 0.82 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1r6p h PHE 77 CO 0.00 0.22 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.80 1r6p h LEU 78 N -0.74 0.28 -0.05 0.59 4.07 -1.35 -3.13 115.31 114.99 1r6p h LEU 78 Ca -0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.81 1r6p h LEU 78 Cb 0.51 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.17 1r6p h LEU 78 CO 0.04 0.68 0.02 0.58 -1.08 0.00 0.00 178.44 178.68 1r6p h VAL 79 N 0.22 1.11 -1.29 1.22 2.07 -1.40 -2.54 116.25 115.64 1r6p h VAL 79 Ca 0.02 -0.31 0.37 0.00 0.82 0.00 0.00 66.70 67.60 1r6p h VAL 79 Cb 0.85 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1r6p h VAL 79 CO 0.07 0.09 1.00 -0.03 0.02 0.00 0.00 177.57 178.71 1r6p h MET 80 N -0.04 0.00 0.54 1.57 -1.53 -1.36 0.10 114.93 114.21 1r6p h MET 80 Ca 0.02 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.25 1r6p h MET 80 Cb 0.12 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.18 1r6p h MET 80 CO -0.00 0.00 -0.26 1.98 0.14 0.00 0.00 176.91 178.77 1r6p h MET 81 N 0.00 -0.70 -0.05 0.39 -1.53 -1.54 -1.72 114.93 109.78 1r6p h MET 81 Ca 0.61 0.05 -0.07 0.00 -3.44 0.00 0.00 59.70 56.85 1r6p h MET 81 Cb 2.61 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 33.80 1r6p h MET 81 CO -0.01 -0.41 -0.30 -0.39 0.14 0.00 0.00 176.91 175.95 1r6p h VAL 82 N -0.92 1.24 -1.00 -5.77 -1.51 -1.10 -2.53 116.25 104.65 1r6p h VAL 82 Ca -0.07 -1.12 0.05 0.00 -1.23 0.00 0.00 66.70 64.33 1r6p h VAL 82 Cb 0.62 1.54 -0.06 0.00 -2.13 0.00 0.00 31.29 31.26 1r6p h VAL 82 CO 0.12 0.33 0.65 0.03 -1.23 0.00 0.00 177.57 177.47 1r6p h ARG 83 N 0.08 1.20 -0.91 5.19 2.47 -0.72 0.59 114.38 122.28 1r6p h ARG 83 Ca 0.01 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1r6p h ARG 83 Cb 0.57 -0.27 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 1r6p h ARG 83 CO 0.04 0.79 0.59 0.00 0.56 0.00 0.00 179.97 181.96 1r6p h MET 85 N 1.18 -0.05 -2.44 0.00 2.86 -1.23 -3.45 114.93 111.80 1r6p h MET 85 Ca 0.35 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1r6p h MET 85 Cb -0.05 0.01 -0.25 0.00 0.06 0.00 0.00 31.60 31.37 1r6p h MET 85 CO -0.10 0.30 -0.24 0.21 1.06 0.00 0.00 176.91 178.14 1r6p s LYS 86 N -4.79 0.45 -0.27 1.72 2.36 0.08 -5.04 119.74 114.25 1r6p s LYS 86 Ca -0.15 0.99 0.12 0.00 -2.55 0.00 0.00 55.97 54.37 1r6p s LYS 86 Cb 0.03 0.16 0.34 0.00 -1.05 0.00 0.00 37.83 37.31 1r6p s LYS 86 CO 0.66 -0.18 1.41 -0.40 1.55 0.00 0.00 175.35 178.38 1r6p n ASP 87 N 4.64 -1.11 0.00 1.43 5.75 -1.16 -4.07 116.55 122.03 1r6p n ASP 87 Ca -0.18 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 1r6p n ASP 87 Cb 0.54 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1r6p n ASP 88 N -1.17 0.07 0.00 -1.12 5.75 -1.26 -5.11 116.55 113.71 1r6p n ASP 88 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1r6p n ASP 88 Cb 0.85 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55