#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 2.67 0.16 7.83 0.23 -1.26 -4.84 115.26 120.04 1r6p n ASN 2 Ca 0.00 -2.75 0.02 0.00 -0.53 0.00 0.00 54.58 51.32 1r6p n ASN 2 Cb 0.00 -0.42 0.37 0.00 -2.08 0.00 0.00 39.78 37.65 1r6p n ASN 2 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1r6p h ASP 3 N 2.17 0.10 -0.13 0.53 5.19 -2.05 -2.69 116.42 119.54 1r6p h ASP 3 Ca 0.04 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1r6p h ASP 3 Cb 1.41 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.88 1r6p h ASP 3 CO 0.36 0.39 -0.07 0.16 -3.12 0.00 0.00 179.24 176.95 1r6p h ILE 4 N 0.09 1.20 -0.58 0.35 -0.00 -1.98 0.13 117.51 116.72 1r6p h ILE 4 Ca 0.01 -0.84 -0.05 0.00 -0.00 0.00 0.00 64.86 63.98 1r6p h ILE 4 Cb 0.55 1.08 -0.03 0.00 -0.00 0.00 0.00 36.82 38.43 1r6p h ILE 4 CO 0.04 0.28 0.16 1.88 -0.00 0.00 0.00 178.15 180.51 1r6p h TYR 5 N 0.41 0.91 0.00 0.16 -1.99 -1.87 -1.09 116.97 113.49 1r6p h TYR 5 Ca 0.08 -0.08 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1r6p h TYR 5 Cb 0.38 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1r6p h TYR 5 CO 0.01 0.74 -0.99 0.87 -0.00 0.00 0.00 178.16 178.79 1r6p h LYS 6 N 0.85 0.00 -0.19 4.88 6.56 -1.48 -3.18 116.57 124.02 1r6p h LYS 6 Ca 0.19 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.59 1r6p h LYS 6 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1r6p h LYS 6 CO -0.01 0.48 -0.64 0.00 -2.06 0.00 0.00 179.45 177.22 1r6p h ALA 7 N 1.38 0.51 -0.19 3.86 0.00 -0.40 -2.13 119.26 122.27 1r6p h ALA 7 Ca -0.08 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1r6p h ALA 7 Cb 1.55 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1r6p h ALA 7 CO 0.07 0.70 -0.29 0.00 0.00 0.00 0.00 179.25 179.73 1r6p h ALA 8 N 0.77 0.30 0.00 0.00 0.00 -1.32 -2.67 119.26 116.33 1r6p h ALA 8 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1r6p h ALA 8 Cb 1.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1r6p h ALA 8 CO 0.13 0.30 -0.11 -0.24 0.00 0.00 0.00 179.25 179.34 1r6p h VAL 9 N 0.20 0.36 0.00 0.00 3.04 -1.60 0.66 116.25 118.92 1r6p h VAL 9 Ca 0.02 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1r6p h VAL 9 Cb 0.86 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1r6p h VAL 9 CO 0.07 0.10 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.22 1r6p h GLU 10 N 0.00 0.00 -0.02 4.17 4.39 -1.22 -3.32 114.58 118.58 1r6p h GLU 10 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1r6p h GLU 10 Cb 0.45 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.89 1r6p h GLU 10 CO 0.01 0.00 -0.79 0.00 -1.16 0.00 0.00 179.01 177.08 1r6p n GLN 11 N -2.82 0.84 -0.67 2.33 10.64 -0.80 -5.08 117.38 121.81 1r6p n GLN 11 Ca 0.04 -2.68 -0.29 0.00 -1.83 0.00 0.00 57.00 52.24 1r6p n GLN 11 Cb 0.51 -0.82 0.21 0.00 -0.86 0.00 0.00 30.24 29.28 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 -1.64 1.56 0.37 2.61 0.05 0.16 -4.99 118.68 116.79 1r6p s LEU 12 Ca 0.36 1.70 0.07 0.00 0.05 0.00 0.00 54.13 56.31 1r6p s LEU 12 Cb 0.38 -3.80 -0.00 0.00 -2.05 0.00 0.00 46.19 40.72 1r6p s LEU 12 CO -0.12 -3.72 0.51 0.42 -0.55 0.00 0.00 176.35 172.89 1r6p s THR 13 N -2.57 3.69 0.28 5.48 -4.23 -1.26 -5.01 115.64 112.01 1r6p s THR 13 Ca 0.67 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 1r6p s THR 13 Cb -0.23 -3.26 0.01 0.00 1.34 0.00 0.00 72.50 70.35 1r6p s THR 13 CO 0.62 -0.10 1.66 0.44 -0.54 0.00 0.00 174.62 176.69 1r6p h ASP 14 N 0.79 0.24 0.80 3.99 3.32 -2.01 -2.58 116.42 120.97 1r6p h ASP 14 Ca -0.44 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.45 1r6p h ASP 14 Cb 1.26 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1r6p h ASP 14 CO 0.50 0.68 -0.24 -0.33 -1.72 0.00 0.00 179.24 178.13 1r6p h GLU 15 N 0.19 0.00 -0.07 3.56 5.08 -1.99 -2.72 114.58 118.63 1r6p h GLU 15 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1r6p h GLU 15 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1r6p h GLU 15 CO 0.07 0.24 -0.11 0.37 -1.00 0.00 0.00 179.01 178.59 1r6p h GLN 16 N 0.00 0.20 -0.43 2.33 4.15 -1.86 0.16 115.11 119.66 1r6p h GLN 16 Ca -0.00 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.35 1r6p h GLN 16 Cb 0.71 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.36 1r6p h GLN 16 CO 0.03 0.68 0.15 0.87 -1.93 0.00 0.00 178.83 178.64 1r6p h LYS 17 N -0.26 0.31 -0.03 1.69 1.79 -1.43 -1.43 116.57 117.22 1r6p h LYS 17 Ca 0.01 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1r6p h LYS 17 Cb 0.66 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1r6p h LYS 17 CO 0.03 0.20 -0.46 -0.91 -1.08 0.00 0.00 179.45 177.23 1r6p h ASN 18 N 0.32 0.07 -0.30 0.86 2.35 -1.47 0.20 115.58 117.60 1r6p h ASN 18 Ca 0.20 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1r6p h ASN 18 Cb 0.19 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1r6p h ASN 18 CO -0.20 0.52 -0.12 -0.08 -1.65 0.00 0.00 177.43 175.89 1r6p h GLU 19 N 0.06 -0.07 0.10 0.81 4.57 0.45 -0.97 114.58 119.52 1r6p h GLU 19 Ca 0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.87 1r6p h GLU 19 Cb 0.83 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1r6p h GLU 19 CO 0.06 -0.05 -1.69 0.74 -1.18 0.00 0.00 179.01 176.89 1r6p h PHE 20 N -0.07 0.38 -0.87 0.92 0.04 -1.47 -3.38 116.94 112.49 1r6p h PHE 20 Ca 0.15 -0.28 0.19 0.00 2.80 0.00 0.00 57.97 60.83 1r6p h PHE 20 Cb 0.30 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.37 1r6p h PHE 20 CO -0.33 1.67 0.58 -0.22 -0.60 0.00 0.00 178.31 179.41 1r6p h LYS 21 N -0.25 0.43 0.30 1.51 1.63 -0.59 0.57 116.57 120.17 1r6p h LYS 21 Ca -0.38 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.39 1r6p h LYS 21 Cb 1.81 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 33.35 1r6p h LYS 21 CO 0.02 0.28 -0.17 0.00 -3.45 0.00 0.00 179.45 176.13 1r6p h ALA 22 N 1.62 -0.43 -0.23 5.00 0.00 -1.34 0.23 119.26 124.10 1r6p h ALA 22 Ca 0.45 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1r6p h ALA 22 Cb 1.06 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1r6p h ALA 22 CO -0.17 -0.75 -0.33 0.00 0.00 0.00 0.00 179.25 178.00 1r6p h ALA 23 N 0.26 1.00 -0.47 0.00 0.00 -1.44 -2.96 119.26 115.65 1r6p h ALA 23 Ca -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1r6p h ALA 23 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1r6p h ALA 23 CO 0.04 0.60 0.30 0.35 0.00 0.00 0.00 179.25 180.54 1r6p h PHE 24 N 0.42 0.56 -0.88 0.00 3.04 0.52 0.94 116.94 121.53 1r6p h PHE 24 Ca 0.05 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 1r6p h PHE 24 Cb 0.78 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.06 1r6p h PHE 24 CO 0.03 0.33 0.46 -0.44 -2.02 0.00 0.00 178.31 176.67 1r6p h ASP 25 N 0.60 1.13 0.03 0.41 5.19 -0.40 -0.16 116.42 123.22 1r6p h ASP 25 Ca 0.18 -0.12 -0.26 0.00 -0.62 0.00 0.00 57.03 56.21 1r6p h ASP 25 Cb -0.02 -0.29 0.02 0.00 0.18 0.00 0.00 39.33 39.22 1r6p h ASP 25 CO -0.06 0.93 -1.02 0.16 -3.12 0.00 0.00 179.24 176.12 1r6p h ILE 26 N 1.25 1.29 -0.25 0.35 3.07 -1.33 -1.45 117.51 120.44 1r6p h ILE 26 Ca 0.31 -2.25 -0.12 0.00 1.55 0.00 0.00 64.86 64.34 1r6p h ILE 26 Cb 0.07 2.36 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 1r6p h ILE 26 CO -0.04 0.70 -0.36 -0.26 -1.05 0.00 0.00 178.15 177.13 1r6p h PHE 27 N 0.39 0.64 -0.13 0.16 0.04 -0.70 -2.80 116.94 114.54 1r6p h PHE 27 Ca -0.12 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1r6p h PHE 27 Cb 1.67 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.68 1r6p h PHE 27 CO 0.10 0.83 0.00 0.44 -0.60 0.00 0.00 178.31 179.08 1r6p n ILE 28 N -4.05 0.16 -0.33 -0.55 -6.64 -0.08 -4.32 119.36 103.54 1r6p n ILE 28 Ca -0.01 -0.39 0.11 0.00 -1.77 0.00 0.00 62.75 60.69 1r6p n ILE 28 Cb 0.49 0.64 0.29 0.00 -1.44 0.00 0.00 39.64 39.61 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 2.88 0.68 -0.77 6.28 4.15 -0.98 0.10 115.11 127.46 1r6p h GLN 29 Ca 0.00 -0.04 -0.32 0.00 0.77 0.00 0.00 58.65 59.06 1r6p h GLN 29 Cb 0.62 -0.15 -0.19 0.00 0.21 0.00 0.00 27.48 27.97 1r6p h GLN 29 CO 0.00 0.45 0.36 -0.25 -1.93 0.00 0.00 178.83 177.46 1r6p n ASP 30 N -4.82 4.03 -4.96 -0.69 9.92 -1.26 -4.97 116.55 113.79 1r6p n ASP 30 Ca 0.21 -3.45 -0.22 0.00 -0.53 0.00 0.00 54.79 50.80 1r6p n ASP 30 Cb 0.53 -0.76 -0.02 0.00 -0.64 0.00 0.00 41.12 40.23 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 -3.15 3.93 -0.23 2.24 0.00 0.36 -5.03 121.76 119.87 1r6p s ALA 31 Ca 0.54 -1.17 0.11 0.00 0.00 0.00 0.00 51.96 51.43 1r6p s ALA 31 Cb 0.45 -1.76 0.44 0.00 0.00 0.00 0.00 23.12 22.24 1r6p s ALA 31 CO 0.10 0.29 1.21 -0.85 0.00 0.00 0.00 175.76 176.51 1r6p n GLU 32 N -1.25 2.18 0.00 0.00 0.28 -1.26 -4.75 120.64 115.84 1r6p n GLU 32 Ca -0.08 -3.53 0.00 0.00 -0.16 0.00 0.00 57.16 53.38 1r6p n GLU 32 Cb 0.56 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.68 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1r6p n ASP 33 N -0.90 0.00 0.00 -1.84 8.00 -1.26 -5.07 116.55 115.48 1r6p n ASP 33 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1r6p n ASP 33 Cb 0.81 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 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 0.47 1.06 3.17 0.44 0.00 -1.26 -5.15 105.19 103.91 1r6p n GLY 34 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.21 3.03 -0.42 0.00 -5.25 -0.55 -4.61 121.20 112.19 1r6p s ILE 36 Ca -0.13 0.16 -0.23 0.00 -0.99 0.00 0.00 60.65 59.45 1r6p s ILE 36 Cb -0.06 -3.30 0.02 0.00 2.95 0.00 0.00 42.46 42.07 1r6p s ILE 36 CO 0.03 -0.37 0.80 -0.55 -1.79 0.00 0.00 174.94 173.06 1r6p s SER 37 N -4.42 6.46 0.40 4.36 0.15 -1.26 -1.46 113.70 117.94 1r6p s SER 37 Ca 0.58 0.06 0.12 0.00 0.70 0.00 0.00 55.95 57.42 1r6p s SER 37 Cb -0.11 -2.40 0.95 0.00 -1.71 0.00 0.00 66.02 62.75 1r6p s SER 37 CO 0.49 -0.87 1.93 0.71 1.20 0.00 0.00 173.24 176.69 1r6p h THR 38 N 5.92 0.86 -0.30 6.45 1.35 -1.86 0.24 112.91 125.56 1r6p h THR 38 Ca -0.25 -0.18 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1r6p h THR 38 Cb 1.09 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 1r6p h THR 38 CO 0.95 0.10 0.11 0.11 -0.25 0.00 0.00 175.52 176.54 1r6p h LYS 39 N 0.53 0.42 -0.67 4.72 1.57 -1.91 -1.29 116.57 119.94 1r6p h LYS 39 Ca 0.36 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1r6p h LYS 39 Cb 0.67 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1r6p h LYS 39 CO -0.13 0.36 0.00 0.39 -0.57 0.00 0.00 179.45 179.51 1r6p n GLU 40 N -4.40 3.71 0.25 3.15 1.02 0.80 -4.40 120.64 120.77 1r6p n GLU 40 Ca 0.01 -2.33 0.15 0.00 -0.02 0.00 0.00 57.16 54.98 1r6p n GLU 40 Cb 0.14 -1.99 0.84 0.00 -0.02 0.00 0.00 31.44 30.42 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 3.05 0.00 -0.79 -4.62 7.12 -0.84 -1.75 115.31 117.48 1r6p h LEU 41 Ca 0.00 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.07 1r6p h LEU 41 Cb 1.49 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.57 1r6p h LEU 41 CO 0.32 0.00 0.48 1.23 -0.13 0.00 0.00 178.44 180.34 1r6p h GLY 42 N 0.00 1.17 2.00 3.75 0.00 -1.82 0.56 103.07 108.73 1r6p h GLY 42 Ca 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1r6p h GLY 42 CO -0.00 0.24 -0.12 1.70 0.00 0.00 0.00 176.54 178.36 1r6p h LYS 43 N 0.88 0.00 0.11 4.80 1.63 -1.67 -1.63 116.57 120.69 1r6p h LYS 43 Ca 0.34 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.89 1r6p h LYS 43 Cb 0.15 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1r6p h LYS 43 CO -0.17 0.12 -1.26 0.28 -3.45 0.00 0.00 179.45 174.97 1r6p h VAL 44 N 0.00 1.12 -0.86 2.00 2.07 -1.02 -3.31 116.25 116.25 1r6p h VAL 44 Ca -0.00 -2.40 0.09 0.00 0.82 0.00 0.00 66.70 65.21 1r6p h VAL 44 Cb 0.29 2.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 1r6p h VAL 44 CO 0.02 0.68 0.51 0.24 0.02 0.00 0.00 177.57 179.03 1r6p h MET 45 N -0.38 0.84 -0.71 1.57 2.86 0.29 0.12 114.93 119.51 1r6p h MET 45 Ca -0.27 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.36 1r6p h MET 45 Cb 1.68 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 33.11 1r6p h MET 45 CO 0.05 0.56 0.47 0.00 1.06 0.00 0.00 176.91 179.05 1r6p h ARG 46 N 0.86 0.82 0.00 1.72 2.47 -0.11 0.59 114.38 120.73 1r6p h ARG 46 Ca 0.40 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.91 1r6p h ARG 46 Cb 0.33 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1r6p h ARG 46 CO -0.23 0.54 -0.80 0.52 0.56 0.00 0.00 179.97 180.56 1r6p h MET 47 N 0.84 0.00 -0.10 0.04 2.86 -1.15 -3.19 114.93 114.24 1r6p h MET 47 Ca 0.29 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1r6p h MET 47 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1r6p h MET 47 CO -0.08 0.80 -0.50 -0.07 1.06 0.00 0.00 176.91 178.11 1r6p h LEU 48 N 0.00 0.28 0.00 1.22 4.07 0.58 -3.47 115.31 117.99 1r6p h LEU 48 Ca -0.01 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1r6p h LEU 48 Cb 1.49 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1r6p h LEU 48 CO 0.10 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 178.81 1r6p n GLY 49 N 0.04 1.24 3.47 0.83 0.00 -0.13 -5.09 105.19 105.54 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 -0.86 0.00 0.00 0.00 173.32 172.46 1r6p s GLN 50 N 0.00 0.81 -0.64 1.61 -2.07 0.01 -5.01 119.66 114.38 1r6p s GLN 50 Ca 0.00 0.48 0.05 0.00 -1.82 0.00 0.00 55.36 54.07 1r6p s GLN 50 Cb 0.00 0.39 0.20 0.00 -1.09 0.00 0.00 33.01 32.51 1r6p s GLN 50 CO 0.00 -0.18 0.58 0.27 -1.32 0.00 0.00 175.29 174.64 1r6p n ASN 51 N 1.91 2.82 -2.48 12.60 0.23 -1.26 -1.06 115.26 128.03 1r6p n ASN 51 Ca -0.17 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 50.69 1r6p n ASN 51 Cb 0.56 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1r6p n PRO 52 N 1.58 1.24 -3.76 -0.53 -0.04 -1.26 -5.08 135.00 127.15 1r6p n PRO 52 Ca 0.25 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.47 1r6p n PRO 52 Cb 0.39 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.25 2.23 0.23 0.52 -4.23 -1.26 -4.98 115.64 108.40 1r6p s THR 53 Ca 0.00 -1.45 0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1r6p s THR 53 Cb 0.00 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.19 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 0.98 0.00 0.04 3.99 0.13 -1.99 -1.44 132.00 133.71 1r6p h PRO 54 Ca -0.40 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.49 1r6p h PRO 54 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1r6p h PRO 54 CO 0.59 0.54 -1.16 1.05 -0.23 0.00 0.00 178.00 178.79 1r6p h GLU 55 N 0.00 0.09 -0.03 0.86 4.11 -1.99 -2.87 114.58 114.75 1r6p h GLU 55 Ca -0.01 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.24 1r6p h GLU 55 Cb 1.04 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1r6p h GLU 55 CO 0.07 1.03 -0.07 0.93 0.07 0.00 0.00 179.01 181.04 1r6p h GLU 56 N 0.03 0.11 -0.38 1.06 4.39 -1.93 -3.11 114.58 114.74 1r6p h GLU 56 Ca -0.08 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1r6p h GLU 56 Cb 1.86 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.50 1r6p h GLU 56 CO 0.15 0.66 0.10 1.37 -1.16 0.00 0.00 179.01 180.13 1r6p h LEU 57 N -0.43 0.50 -1.80 1.33 8.10 -1.39 -1.97 115.31 119.66 1r6p h LEU 57 Ca 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 1r6p h LEU 57 Cb 0.65 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1r6p h LEU 57 CO 0.02 0.50 0.08 -0.61 -4.11 0.00 0.00 178.44 174.31 1r6p h GLN 58 N 0.54 0.21 0.01 0.17 5.75 -1.50 -0.57 115.11 119.71 1r6p h GLN 58 Ca 0.13 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1r6p h GLN 58 Cb 0.19 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1r6p h GLN 58 CO -0.01 0.16 -0.00 0.93 -2.65 0.00 0.00 178.83 177.26 1r6p h GLU 59 N 0.21 -0.01 -0.00 1.69 5.08 -1.28 0.44 114.58 120.71 1r6p h GLU 59 Ca 0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1r6p h GLU 59 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1r6p h GLU 59 CO -0.01 0.31 -0.38 0.00 -1.00 0.00 0.00 179.01 177.93 1r6p h MET 60 N -0.33 0.01 -0.12 2.33 -0.00 -1.46 -2.30 114.93 113.06 1r6p h MET 60 Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.65 1r6p h MET 60 Cb 0.32 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.92 1r6p h MET 60 CO 0.00 0.39 -0.09 0.82 -0.00 0.00 0.00 176.91 178.03 1r6p h ILE 61 N 0.01 1.34 -0.82 -0.10 2.04 -0.98 -1.13 117.51 117.87 1r6p h ILE 61 Ca -0.00 -1.20 0.07 0.00 1.00 0.00 0.00 64.86 64.73 1r6p h ILE 61 Cb 0.67 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1r6p h ILE 61 CO 0.05 0.35 0.53 -0.78 0.00 0.00 0.00 178.15 178.30 1r6p h ASP 62 N -0.11 0.76 -0.09 1.72 3.58 -0.72 0.75 116.42 122.32 1r6p h ASP 62 Ca 0.02 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1r6p h ASP 62 Cb 0.59 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1r6p h ASP 62 CO 0.02 0.48 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.44 1r6p h GLU 63 N 0.86 0.21 -0.05 0.28 4.39 -1.28 -3.25 114.58 115.73 1r6p h GLU 63 Ca 0.36 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.79 1r6p h GLU 63 Cb 0.29 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1r6p h GLU 63 CO -0.13 0.65 -0.66 -0.24 -1.16 0.00 0.00 179.01 177.46 1r6p h VAL 64 N -0.21 1.41 -2.34 3.13 3.04 -0.75 -3.40 116.25 117.13 1r6p h VAL 64 Ca 0.01 -2.12 -0.54 0.00 -1.01 0.00 0.00 66.70 63.04 1r6p h VAL 64 Cb 0.61 2.10 -0.08 0.00 -2.01 0.00 0.00 31.29 31.91 1r6p h VAL 64 CO 0.02 0.62 1.06 -0.62 -1.01 0.00 0.00 177.57 177.65 1r6p s ASP 65 N -6.90 6.17 0.12 3.17 -1.08 0.26 -4.84 116.67 113.57 1r6p s ASP 65 Ca -0.04 -0.47 -0.17 0.00 -0.52 0.00 0.00 52.55 51.35 1r6p s ASP 65 Cb 0.12 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.99 1r6p s ASP 65 CO 0.80 -1.83 1.69 -0.33 0.52 0.00 0.00 175.17 176.02 1r6p h GLU 66 N 10.02 0.49 0.15 4.34 5.08 -1.80 -3.12 114.58 129.73 1r6p h GLU 66 Ca -0.27 -0.08 -0.29 0.00 -1.00 0.00 0.00 59.36 57.72 1r6p h GLU 66 Cb 1.05 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1r6p h GLU 66 CO 1.28 0.46 -1.28 0.38 -1.00 0.00 0.00 179.01 178.85 1r6p h ASP 67 N 0.40 0.57 -3.35 1.42 2.03 -1.93 -3.49 116.42 112.08 1r6p h ASP 67 Ca 0.11 -0.59 -0.13 0.00 -0.73 0.00 0.00 57.03 55.69 1r6p h ASP 67 Cb 0.14 -0.18 0.06 0.00 -0.83 0.00 0.00 39.33 38.52 1r6p h ASP 67 CO -0.01 1.45 -0.30 0.61 -1.03 0.00 0.00 179.24 179.96 1r6p n GLY 68 N 1.52 0.16 0.06 7.15 0.00 -1.18 -4.94 105.19 107.96 1r6p n GLY 68 Ca -0.11 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.59 0.27 0.00 1.61 3.41 -1.26 -4.89 113.62 111.17 1r6p n SER 69 Ca -0.10 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1r6p n SER 69 Cb 0.56 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.27 0.52 2.95 5.00 0.00 -1.26 -5.03 105.19 108.63 1r6p n GLY 70 Ca 0.15 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.17 2.61 -4.23 -1.26 -2.76 115.64 107.78 1r6p s THR 71 Ca 0.00 0.17 -0.24 0.00 -1.18 0.00 0.00 61.69 60.45 1r6p s THR 71 Cb 0.00 -0.27 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 1r6p s THR 71 CO 0.00 0.07 0.75 -0.69 -0.54 0.00 0.00 174.62 174.21 1r6p s VAL 72 N 1.18 4.94 0.57 2.29 1.01 -0.53 -4.83 120.40 125.03 1r6p s VAL 72 Ca -0.09 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 63.30 1r6p s VAL 72 Cb -0.11 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1r6p s VAL 72 CO -0.06 0.08 0.87 -1.81 0.00 0.00 0.00 175.10 174.18 1r6p s ASP 73 N 1.14 5.65 0.41 3.32 1.01 -1.26 -1.48 116.67 125.46 1r6p s ASP 73 Ca 0.35 0.68 0.09 0.00 0.71 0.00 0.00 52.55 54.39 1r6p s ASP 73 Cb -0.16 -1.72 0.90 0.00 1.01 0.00 0.00 42.92 42.95 1r6p s ASP 73 CO 0.12 -1.01 2.02 0.15 0.21 0.00 0.00 175.17 176.66 1r6p h PHE 74 N -0.10 0.52 -0.39 4.23 3.57 -1.97 0.64 116.94 123.45 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 1.25 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1r6p h PHE 74 CO 0.48 0.29 -0.05 -0.44 -2.23 0.00 0.00 178.31 176.36 1r6p h ASP 75 N 0.53 0.72 0.63 0.41 5.19 -1.99 -1.75 116.42 120.15 1r6p h ASP 75 Ca 0.22 -0.34 -0.12 0.00 -0.62 0.00 0.00 57.03 56.17 1r6p h ASP 75 Cb 0.21 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1r6p h ASP 75 CO -0.06 0.89 -0.58 -0.33 -3.12 0.00 0.00 179.24 176.03 1r6p h GLU 76 N 0.53 0.00 -0.06 3.56 5.08 -1.59 -2.25 114.58 119.85 1r6p h GLU 76 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1r6p h GLU 76 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1r6p h GLU 76 CO 0.03 0.58 0.02 0.35 -1.00 0.00 0.00 179.01 178.99 1r6p h PHE 77 N 0.00 0.09 0.00 4.33 3.57 0.51 -2.69 116.94 122.76 1r6p h PHE 77 Ca -0.01 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1r6p h PHE 77 Cb 1.06 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1r6p h PHE 77 CO 0.00 0.27 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.76 1r6p h LEU 78 N -0.11 0.00 -0.23 0.59 4.07 -1.32 -3.12 115.31 115.19 1r6p h LEU 78 Ca 0.02 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.99 1r6p h LEU 78 Cb 0.22 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1r6p h LEU 78 CO -0.00 0.52 0.13 0.58 -1.08 0.00 0.00 178.44 178.59 1r6p h VAL 79 N 0.00 1.02 -0.84 1.22 2.07 -1.25 -1.80 116.25 116.67 1r6p h VAL 79 Ca -0.01 -0.10 0.24 0.00 0.82 0.00 0.00 66.70 67.66 1r6p h VAL 79 Cb 0.93 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1r6p h VAL 79 CO 0.07 0.05 0.83 -0.03 0.02 0.00 0.00 177.57 178.50 1r6p h MET 80 N 0.28 0.00 0.70 1.57 -1.53 -1.41 -0.82 114.93 113.72 1r6p h MET 80 Ca 0.09 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.32 1r6p h MET 80 Cb -0.00 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.05 1r6p h MET 80 CO -0.04 0.00 -0.34 1.98 0.14 0.00 0.00 176.91 178.65 1r6p h MET 81 N 0.00 -0.90 -0.03 0.39 -1.53 -1.46 -1.81 114.93 109.59 1r6p h MET 81 Ca 0.40 0.06 -0.05 0.00 -3.44 0.00 0.00 59.70 56.67 1r6p h MET 81 Cb 2.05 0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 33.29 1r6p h MET 81 CO -0.00 -0.58 -0.20 -0.39 0.14 0.00 0.00 176.91 175.88 1r6p h VAL 82 N -1.05 1.16 -0.87 -5.77 -1.51 -1.30 -2.12 116.25 104.79 1r6p h VAL 82 Ca -0.10 -0.77 0.01 0.00 -1.23 0.00 0.00 66.70 64.61 1r6p h VAL 82 Cb 0.75 1.36 -0.04 0.00 -2.13 0.00 0.00 31.29 31.23 1r6p h VAL 82 CO 0.16 0.22 0.57 0.03 -1.23 0.00 0.00 177.57 177.32 1r6p h ARG 83 N 0.05 1.15 -0.24 5.19 3.08 -1.14 0.16 114.38 122.64 1r6p h ARG 83 Ca 0.01 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1r6p h ARG 83 Cb 0.39 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1r6p h ARG 83 CO 0.03 0.77 -0.35 0.00 -1.07 0.00 0.00 179.97 179.35 1r6p h MET 85 N 0.38 -0.54 -1.35 0.00 2.86 -1.04 -3.50 114.93 111.76 1r6p h MET 85 Ca 0.03 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 1r6p h MET 85 Cb 0.94 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 1r6p h MET 85 CO 0.08 -0.29 -0.43 1.17 1.06 0.00 0.00 176.91 178.50 1r6p n LYS 86 N -5.28 -1.37 -0.01 1.72 3.00 0.53 -4.55 118.16 112.22 1r6p n LYS 86 Ca -0.11 1.10 -0.10 0.00 -0.00 0.00 0.00 58.31 59.19 1r6p n LYS 86 Cb 0.27 -1.48 -0.14 0.00 0.00 0.00 0.00 35.03 33.68 1r6p n LYS 86 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1r6p h ASP 87 N -0.29 0.07 0.62 3.14 2.03 -1.93 -3.38 116.42 116.68 1r6p h ASP 87 Ca -0.05 -0.14 -0.03 0.00 -0.73 0.00 0.00 57.03 56.08 1r6p h ASP 87 Cb 0.45 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 38.94 1r6p h ASP 87 CO 0.02 1.12 -0.30 -0.78 -1.03 0.00 0.00 179.24 178.27 1r6p h ASP 88 N 0.01 -0.70 -0.02 4.15 3.58 -2.01 -3.54 116.42 117.89 1r6p h ASP 88 Ca -0.27 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1r6p h ASP 88 Cb 1.99 0.18 0.00 0.00 1.72 0.00 0.00 39.33 43.23 1r6p h ASP 88 CO 0.09 -0.48 0.00 -1.20 -2.88 0.00 0.00 179.24 174.77