#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 1.95 0.23 3.17 3.02 -1.26 -4.73 115.26 117.64 1r6p n ASN 2 Ca 0.00 -3.81 0.10 0.00 -0.03 0.00 0.00 54.58 50.84 1r6p n ASN 2 Cb 0.00 -0.50 0.50 0.00 -0.61 0.00 0.00 39.78 39.17 1r6p n ASN 2 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1r6p h ASP 3 N 1.10 0.00 -0.32 6.41 3.32 -2.07 -2.94 116.42 121.93 1r6p h ASP 3 Ca 0.02 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.16 1r6p h ASP 3 Cb 1.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1r6p h ASP 3 CO 0.07 0.22 0.24 0.16 -1.72 0.00 0.00 179.24 178.21 1r6p h ILE 4 N 0.00 0.78 -0.74 0.35 -2.65 -2.00 -0.85 117.51 112.40 1r6p h ILE 4 Ca -0.00 0.00 0.02 0.00 1.03 0.00 0.00 64.86 65.91 1r6p h ILE 4 Cb 0.67 0.83 -0.04 0.00 -2.05 0.00 0.00 36.82 36.23 1r6p h ILE 4 CO 0.03 0.00 0.48 1.88 0.03 0.00 0.00 178.15 180.57 1r6p h TYR 5 N 0.00 0.90 -0.25 0.16 -1.99 -1.91 -2.00 116.97 111.88 1r6p h TYR 5 Ca 0.15 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.78 1r6p h TYR 5 Cb 0.63 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1r6p h TYR 5 CO 0.00 0.53 -0.37 -0.22 -0.00 0.00 0.00 178.16 178.11 1r6p h LYS 6 N 0.95 0.56 0.00 4.88 1.63 -1.36 -2.78 116.57 120.45 1r6p h LYS 6 Ca 0.29 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1r6p h LYS 6 Cb -0.04 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1r6p h LYS 6 CO -0.09 0.85 -0.14 0.00 -3.45 0.00 0.00 179.45 176.62 1r6p h ALA 7 N 1.13 1.55 -0.11 5.00 0.00 -1.05 -0.43 119.26 125.35 1r6p h ALA 7 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1r6p h ALA 7 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1r6p h ALA 7 CO 0.07 0.18 -0.21 0.00 0.00 0.00 0.00 179.25 179.29 1r6p h ALA 8 N 1.86 0.17 0.00 0.00 0.00 -1.11 -0.91 119.26 119.27 1r6p h ALA 8 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1r6p h ALA 8 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r6p h ALA 8 CO 0.02 0.12 -0.19 -0.24 0.00 0.00 0.00 179.25 178.96 1r6p h VAL 9 N -0.10 0.48 0.00 0.00 3.04 -1.43 0.13 116.25 118.37 1r6p h VAL 9 Ca 0.01 -1.01 -0.02 0.00 -1.01 0.00 0.00 66.70 64.67 1r6p h VAL 9 Cb 0.79 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1r6p h VAL 9 CO 0.05 0.18 -0.32 -0.33 -1.01 0.00 0.00 177.57 176.14 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 5.08 -0.96 -3.33 114.58 119.54 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 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1r6p h GLU 10 CO 0.02 0.08 -0.02 0.00 -1.00 0.00 0.00 179.01 178.10 1r6p n GLN 11 N -3.03 1.83 -1.27 2.33 10.64 -0.36 -5.06 117.38 122.47 1r6p n GLN 11 Ca 0.02 -2.09 -0.29 0.00 -1.83 0.00 0.00 57.00 52.82 1r6p n GLN 11 Cb 0.58 -1.26 0.19 0.00 -0.86 0.00 0.00 30.24 28.88 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 -2.04 1.47 0.63 2.61 0.05 0.41 -5.01 118.68 116.81 1r6p s LEU 12 Ca 0.19 0.92 -0.02 0.00 0.05 0.00 0.00 54.13 55.27 1r6p s LEU 12 Cb 0.16 -3.00 0.06 0.00 -2.05 0.00 0.00 46.19 41.36 1r6p s LEU 12 CO 0.02 -3.28 0.89 0.42 -0.55 0.00 0.00 176.35 173.85 1r6p s THR 13 N -3.10 2.46 0.26 5.48 -4.23 -1.26 -4.99 115.64 110.26 1r6p s THR 13 Ca 0.67 -0.51 0.07 0.00 -1.18 0.00 0.00 61.69 60.74 1r6p s THR 13 Cb -0.15 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 1r6p s THR 13 CO 0.56 0.00 1.59 -0.78 -0.54 0.00 0.00 174.62 175.45 1r6p h ASP 14 N -0.26 0.18 0.03 3.99 3.58 -1.99 -2.54 116.42 119.41 1r6p h ASP 14 Ca -0.42 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 56.89 1r6p h ASP 14 Cb 1.30 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 1r6p h ASP 14 CO 0.53 0.72 -0.11 1.05 -2.88 0.00 0.00 179.24 178.56 1r6p h GLU 15 N 0.12 0.19 0.03 0.28 -0.00 -1.98 -1.03 114.58 112.19 1r6p h GLU 15 Ca -0.00 -0.04 -0.23 0.00 -0.00 0.00 0.00 59.36 59.09 1r6p h GLU 15 Cb 1.07 -0.03 0.02 0.00 -0.00 0.00 0.00 28.75 29.81 1r6p h GLU 15 CO 0.09 0.31 -0.91 1.96 -0.00 0.00 0.00 179.01 180.46 1r6p h GLN 16 N 0.19 0.56 -0.72 1.06 4.20 -1.89 0.96 115.11 119.48 1r6p h GLN 16 Ca 0.04 -0.65 0.02 0.00 0.06 0.00 0.00 58.65 58.12 1r6p h GLN 16 Cb 0.31 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1r6p h GLN 16 CO 0.02 1.26 0.46 0.87 -0.67 0.00 0.00 178.83 180.76 1r6p h LYS 17 N 0.15 0.89 0.00 1.46 1.57 -1.10 -1.69 116.57 117.84 1r6p h LYS 17 Ca -0.12 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1r6p h LYS 17 Cb 1.60 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 1r6p h LYS 17 CO 0.18 0.59 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.40 1r6p h ASN 18 N 0.91 0.00 0.17 0.86 2.35 -1.24 -2.40 115.58 116.23 1r6p h ASN 18 Ca 0.28 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1r6p h ASN 18 Cb -0.03 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1r6p h ASN 18 CO -0.09 0.33 -0.27 -0.08 -1.65 0.00 0.00 177.43 175.67 1r6p h GLU 19 N 0.00 -0.49 0.17 0.81 4.81 0.15 -0.25 114.58 119.78 1r6p h GLU 19 Ca -0.00 0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.01 1r6p h GLU 19 Cb 1.24 0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.75 1r6p h GLU 19 CO 0.04 -0.33 -1.16 0.74 -0.73 0.00 0.00 179.01 177.58 1r6p h PHE 20 N -0.51 0.65 -0.78 0.92 -1.00 -1.62 -3.33 116.94 111.28 1r6p h PHE 20 Ca 0.02 -0.47 0.18 0.00 2.81 0.00 0.00 57.97 60.50 1r6p h PHE 20 Cb 0.51 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.00 1r6p h PHE 20 CO -0.22 1.45 0.53 -0.22 -1.61 0.00 0.00 178.31 178.23 1r6p h LYS 21 N -0.20 0.31 0.60 1.51 3.11 -1.42 0.51 116.57 120.98 1r6p h LYS 21 Ca -0.22 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.58 1r6p h LYS 21 Cb 1.83 -0.07 0.01 0.00 -1.00 0.00 0.00 32.23 32.99 1r6p h LYS 21 CO 0.17 0.20 -0.29 0.00 -2.81 0.00 0.00 179.45 176.72 1r6p h ALA 22 N 1.64 -0.80 -0.43 5.00 0.00 -1.14 0.24 119.26 123.76 1r6p h ALA 22 Ca 0.39 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1r6p h ALA 22 Cb 1.05 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1r6p h ALA 22 CO -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 179.25 178.20 1r6p h ALA 23 N -0.54 1.14 -0.34 0.00 0.00 -1.48 -2.65 119.26 115.39 1r6p h ALA 23 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1r6p h ALA 23 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1r6p h ALA 23 CO 0.14 0.55 0.23 0.35 0.00 0.00 0.00 179.25 180.51 1r6p h PHE 24 N 0.67 0.43 -0.74 0.00 3.04 0.17 -0.29 116.94 120.22 1r6p h PHE 24 Ca 0.13 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 1r6p h PHE 24 Cb 0.46 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1r6p h PHE 24 CO 0.02 0.27 0.35 0.22 -2.02 0.00 0.00 178.31 177.15 1r6p h ASP 25 N 0.46 0.97 -0.08 0.41 1.82 -0.28 0.13 116.42 119.85 1r6p h ASP 25 Ca 0.13 -0.14 -0.20 0.00 -0.39 0.00 0.00 57.03 56.43 1r6p h ASP 25 Cb -0.05 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.71 1r6p h ASP 25 CO -0.03 0.84 -0.70 0.16 -1.61 0.00 0.00 179.24 177.90 1r6p h ILE 26 N 1.03 1.30 -0.08 2.25 3.07 -1.28 -1.19 117.51 122.62 1r6p h ILE 26 Ca 0.25 -1.93 -0.16 0.00 1.55 0.00 0.00 64.86 64.57 1r6p h ILE 26 Cb 0.13 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.58 1r6p h ILE 26 CO -0.03 0.61 -0.64 -0.26 -1.05 0.00 0.00 178.15 176.78 1r6p h PHE 27 N 0.51 0.37 -0.26 0.16 0.04 -0.93 -2.96 116.94 113.86 1r6p h PHE 27 Ca -0.03 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1r6p h PHE 27 Cb 1.30 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1r6p h PHE 27 CO 0.07 0.84 0.00 0.44 -0.60 0.00 0.00 178.31 179.06 1r6p n ILE 28 N -3.86 0.34 -0.35 -0.55 -6.64 0.02 -4.32 119.36 104.00 1r6p n ILE 28 Ca -0.03 -0.50 0.11 0.00 -1.77 0.00 0.00 62.75 60.56 1r6p n ILE 28 Cb 0.64 0.58 0.30 0.00 -1.44 0.00 0.00 39.64 39.72 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 3.03 0.82 -0.44 6.28 4.15 -1.03 -0.01 115.11 127.91 1r6p h GLN 29 Ca 0.00 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.26 1r6p h GLN 29 Cb 0.67 -0.18 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 1r6p h GLN 29 CO 0.00 0.54 0.07 -0.25 -1.93 0.00 0.00 178.83 177.26 1r6p n ASP 30 N -4.71 3.88 -4.95 -0.69 9.92 -1.26 -4.99 116.55 113.75 1r6p n ASP 30 Ca 0.22 -3.26 -0.25 0.00 -0.53 0.00 0.00 54.79 50.96 1r6p n ASP 30 Cb 0.50 -0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 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 -2.98 3.93 -0.21 2.24 0.00 -0.02 -5.03 121.76 119.70 1r6p s ALA 31 Ca 0.47 -1.05 0.15 0.00 0.00 0.00 0.00 51.96 51.53 1r6p s ALA 31 Cb 0.39 -1.81 0.33 0.00 0.00 0.00 0.00 23.12 22.04 1r6p s ALA 31 CO 0.08 0.44 1.23 0.39 0.00 0.00 0.00 175.76 177.90 1r6p n GLU 32 N -0.80 2.21 -0.06 0.00 1.02 -1.26 -4.59 120.64 117.16 1r6p n GLU 32 Ca -0.07 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.60 1r6p n GLU 32 Cb 0.55 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 -0.82 0.11 -3.69 1.62 8.00 -1.26 -5.03 116.55 115.49 1r6p n ASP 33 Ca 0.15 -1.19 -0.22 0.00 0.71 0.00 0.00 54.79 54.24 1r6p n ASP 33 Cb 0.65 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.03 -0.36 3.23 0.44 0.00 -1.26 -5.00 105.19 102.21 1r6p n GLY 34 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.57 3.41 -0.35 0.00 -5.25 -0.66 -4.63 121.20 113.15 1r6p s ILE 36 Ca -0.07 0.02 -0.20 0.00 -0.99 0.00 0.00 60.65 59.41 1r6p s ILE 36 Cb -0.04 -3.38 0.00 0.00 2.95 0.00 0.00 42.46 41.99 1r6p s ILE 36 CO 0.02 -0.41 0.60 -0.55 -1.79 0.00 0.00 174.94 172.82 1r6p s SER 37 N -4.35 6.40 0.40 4.36 0.15 -1.26 -0.95 113.70 118.46 1r6p s SER 37 Ca 0.55 0.12 0.14 0.00 0.70 0.00 0.00 55.95 57.46 1r6p s SER 37 Cb -0.11 -2.31 0.99 0.00 -1.71 0.00 0.00 66.02 62.88 1r6p s SER 37 CO 0.46 -0.56 1.90 0.71 1.20 0.00 0.00 173.24 176.95 1r6p h THR 38 N 5.65 0.80 -0.22 6.45 1.35 -1.75 0.33 112.91 125.51 1r6p h THR 38 Ca -0.27 -0.17 -0.08 0.00 -0.55 0.00 0.00 66.41 65.34 1r6p h THR 38 Cb 1.11 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1r6p h THR 38 CO 0.82 0.09 -0.22 0.11 -0.25 0.00 0.00 175.52 176.07 1r6p h LYS 39 N 0.50 0.41 -0.68 4.72 1.57 -1.92 -2.31 116.57 118.85 1r6p h LYS 39 Ca 0.40 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1r6p h LYS 39 Cb 0.84 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1r6p h LYS 39 CO -0.15 0.61 0.03 0.39 -0.57 0.00 0.00 179.45 179.76 1r6p n GLU 40 N -4.15 4.03 0.05 3.15 -0.58 0.10 -4.31 120.64 118.93 1r6p n GLU 40 Ca -0.00 -2.54 0.10 0.00 -0.42 0.00 0.00 57.16 54.30 1r6p n GLU 40 Cb 0.37 -2.11 0.41 0.00 -0.57 0.00 0.00 31.44 29.54 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1r6p n LEU 41 N 0.42 0.28 -0.16 -4.62 0.00 -0.57 -2.77 117.00 109.58 1r6p n LEU 41 Ca 0.24 0.56 0.03 0.00 0.00 0.00 0.00 56.01 56.85 1r6p n LEU 41 Cb 1.04 -0.52 0.32 0.00 0.00 0.00 0.00 43.42 44.27 1r6p n LEU 41 CO 0.28 -0.33 1.22 1.23 0.00 0.00 0.00 177.39 179.78 1r6p h GLY 42 N 2.77 0.93 2.00 -3.96 0.00 -1.82 0.18 103.07 103.17 1r6p h GLY 42 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1r6p h GLY 42 CO 0.00 0.29 0.00 0.50 0.00 0.00 0.00 176.54 177.33 1r6p h LYS 43 N 0.83 0.00 0.04 4.80 1.57 -1.88 -2.76 116.57 119.17 1r6p h LYS 43 Ca 0.27 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1r6p h LYS 43 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1r6p h LYS 43 CO -0.07 0.00 -0.55 0.28 -0.57 0.00 0.00 179.45 178.54 1r6p h VAL 44 N 0.00 1.49 -0.77 0.50 2.07 -0.85 -3.24 116.25 115.45 1r6p h VAL 44 Ca 0.00 -2.35 0.08 0.00 0.82 0.00 0.00 66.70 65.24 1r6p h VAL 44 Cb 0.48 3.06 -0.06 0.00 -1.52 0.00 0.00 31.29 33.24 1r6p h VAL 44 CO 0.00 0.58 0.44 -0.03 0.02 0.00 0.00 177.57 178.58 1r6p h MET 45 N -0.81 0.75 -0.24 1.57 4.05 -1.19 0.17 114.93 119.23 1r6p h MET 45 Ca -0.13 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 1r6p h MET 45 Cb 1.26 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 1r6p h MET 45 CO -0.01 0.50 0.10 0.07 0.23 0.00 0.00 176.91 177.80 1r6p h ARG 46 N 0.78 0.33 0.04 0.39 0.11 -1.02 0.55 114.38 115.56 1r6p h ARG 46 Ca 0.36 -0.03 -0.23 0.00 0.10 0.00 0.00 59.98 60.18 1r6p h ARG 46 Cb 0.27 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.26 1r6p h ARG 46 CO -0.21 0.28 -1.07 0.52 0.10 0.00 0.00 179.97 179.59 1r6p h MET 47 N 0.34 0.09 -0.00 0.08 2.86 -1.13 -3.27 114.93 113.90 1r6p h MET 47 Ca 0.09 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.41 1r6p h MET 47 Cb 0.07 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1r6p h MET 47 CO -0.01 1.06 -0.76 -0.07 1.06 0.00 0.00 176.91 178.19 1r6p h LEU 48 N 0.03 0.02 0.00 1.22 4.07 0.11 -3.47 115.31 117.29 1r6p h LEU 48 Ca -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1r6p h LEU 48 Cb 1.82 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.55 1r6p h LEU 48 CO 0.15 0.78 0.00 0.61 -1.08 0.00 0.00 178.44 178.90 1r6p n GLY 49 N 0.66 1.47 3.24 0.83 0.00 0.38 -5.08 105.19 106.70 1r6p n GLY 49 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 1.17 -0.44 1.61 -0.21 0.17 -4.99 119.66 116.97 1r6p s GLN 50 Ca 0.00 -1.59 0.07 0.00 0.02 0.00 0.00 55.36 53.86 1r6p s GLN 50 Cb 0.00 -0.15 0.24 0.00 1.00 0.00 0.00 33.01 34.10 1r6p s GLN 50 CO 0.00 -0.21 0.70 0.27 -2.12 0.00 0.00 175.29 173.92 1r6p n ASN 51 N -0.28 -1.37 -2.51 5.90 0.23 -1.26 -1.66 115.26 114.31 1r6p n ASN 51 Ca -0.04 -2.98 0.00 0.00 -0.53 0.00 0.00 54.58 51.03 1r6p n ASN 51 Cb 0.64 0.58 0.00 0.00 -2.08 0.00 0.00 39.78 38.93 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 1.38 -3.71 -0.53 -0.04 -1.26 -5.10 135.00 127.31 1r6p n PRO 52 Ca 0.15 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 1r6p n PRO 52 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.33 2.02 0.17 0.52 -4.23 -1.26 -4.97 115.64 108.22 1r6p s THR 53 Ca 0.00 -1.41 0.12 0.00 -1.18 0.00 0.00 61.69 59.23 1r6p s THR 53 Cb 0.00 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 1r6p s THR 53 CO 0.00 0.00 1.56 1.55 -0.54 0.00 0.00 174.62 177.19 1r6p h PRO 54 N 0.80 0.00 0.04 3.99 0.13 -1.99 -1.62 132.00 133.35 1r6p h PRO 54 Ca -0.38 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 1r6p h PRO 54 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1r6p h PRO 54 CO 0.56 0.62 -1.17 1.05 -0.23 0.00 0.00 178.00 178.82 1r6p h GLU 55 N 0.00 0.09 -0.06 0.86 4.11 -1.99 -2.68 114.58 114.90 1r6p h GLU 55 Ca -0.01 -0.15 -0.06 0.00 0.07 0.00 0.00 59.36 59.21 1r6p h GLU 55 Cb 1.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1r6p h GLU 55 CO 0.08 1.02 -0.20 0.93 0.07 0.00 0.00 179.01 180.90 1r6p h GLU 56 N 0.02 0.25 -0.20 1.06 5.08 -1.94 -3.04 114.58 115.82 1r6p h GLU 56 Ca -0.09 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1r6p h GLU 56 Cb 1.86 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1r6p h GLU 56 CO 0.15 0.81 -0.14 1.37 -1.00 0.00 0.00 179.01 180.20 1r6p h LEU 57 N -0.26 0.30 -1.36 1.33 8.10 -1.41 -2.39 115.31 119.62 1r6p h LEU 57 Ca -0.01 -0.07 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 1r6p h LEU 57 Cb 0.83 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.94 1r6p h LEU 57 CO 0.04 0.47 0.24 1.56 -4.11 0.00 0.00 178.44 176.65 1r6p h GLN 58 N 0.30 0.68 -0.99 0.17 1.08 -1.46 -1.66 115.11 113.21 1r6p h GLN 58 Ca 0.06 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1r6p h GLN 58 Cb 0.43 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 1r6p h GLN 58 CO 0.03 0.52 0.66 0.93 -0.95 0.00 0.00 178.83 180.01 1r6p h GLU 59 N 0.68 1.27 -0.41 1.46 4.39 -1.31 0.85 114.58 121.52 1r6p h GLU 59 Ca 0.17 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 1r6p h GLU 59 Cb 0.06 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1r6p h GLU 59 CO -0.02 0.84 -0.16 0.52 -1.16 0.00 0.00 179.01 179.03 1r6p h MET 60 N 1.31 0.76 -0.40 2.33 2.86 -1.35 -2.46 114.93 117.98 1r6p h MET 60 Ca 0.38 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1r6p h MET 60 Cb -0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1r6p h MET 60 CO -0.10 0.87 0.05 0.82 1.06 0.00 0.00 176.91 179.62 1r6p h ILE 61 N 0.68 1.24 -0.78 -1.22 1.08 -0.58 0.23 117.51 118.16 1r6p h ILE 61 Ca 0.11 -0.89 0.01 0.00 -0.39 0.00 0.00 64.86 63.70 1r6p h ILE 61 Cb 0.64 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1r6p h ILE 61 CO 0.05 0.30 0.51 0.44 -0.69 0.00 0.00 178.15 178.76 1r6p h ASP 62 N 0.51 0.87 0.16 1.72 3.32 -0.69 0.19 116.42 122.50 1r6p h ASP 62 Ca 0.12 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.93 1r6p h ASP 62 Cb 0.39 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.75 1r6p h ASP 62 CO 0.01 0.62 -0.99 1.05 -1.72 0.00 0.00 179.24 178.21 1r6p h GLU 63 N 1.03 0.35 0.30 3.56 4.11 -1.34 -3.40 114.58 119.19 1r6p h GLU 63 Ca 0.29 -0.59 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 1r6p h GLU 63 Cb -0.09 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1r6p h GLU 63 CO -0.07 1.28 -0.14 0.28 0.07 0.00 0.00 179.01 180.42 1r6p h VAL 64 N -0.26 0.00 -1.32 -1.06 2.07 -0.52 -3.41 116.25 111.76 1r6p h VAL 64 Ca -0.18 -0.34 -0.37 0.00 0.82 0.00 0.00 66.70 66.63 1r6p h VAL 64 Cb 1.76 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1r6p h VAL 64 CO 0.17 0.00 1.34 -0.67 0.02 0.00 0.00 177.57 178.43 1r6p n ASP 65 N -4.03 2.14 -0.37 0.57 2.03 0.66 -4.80 116.55 112.75 1r6p n ASP 65 Ca -0.05 -0.68 0.02 0.00 0.52 0.00 0.00 54.79 54.60 1r6p n ASP 65 Cb 0.16 -1.58 0.17 0.00 -0.72 0.00 0.00 41.12 39.15 1r6p n ASP 65 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1r6p h GLU 66 N 18.12 1.15 0.12 -0.67 4.11 -1.83 -2.92 114.58 132.65 1r6p h GLU 66 Ca -0.19 -0.07 -0.33 0.00 0.07 0.00 0.00 59.36 58.85 1r6p h GLU 66 Cb 1.22 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1r6p h GLU 66 CO 1.14 0.76 -1.72 0.38 0.07 0.00 0.00 179.01 179.64 1r6p h ASP 67 N 1.18 0.38 -3.98 3.06 2.03 -1.94 -3.49 116.42 113.67 1r6p h ASP 67 Ca 0.43 -0.64 -0.18 0.00 -0.73 0.00 0.00 57.03 55.91 1r6p h ASP 67 Cb 0.14 -0.12 0.09 0.00 -0.83 0.00 0.00 39.33 38.61 1r6p h ASP 67 CO -0.17 1.55 -0.42 0.61 -1.03 0.00 0.00 179.24 179.79 1r6p n GLY 68 N 1.77 0.00 0.43 7.15 0.00 -1.10 -4.93 105.19 108.51 1r6p n GLY 68 Ca -0.22 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.16 1.27 -0.03 1.61 3.41 -1.26 -4.87 113.62 111.60 1r6p n SER 69 Ca -0.15 -1.84 -0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1r6p n SER 69 Cb 0.59 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.95 0.46 2.95 5.00 0.00 -1.26 -5.00 105.19 108.29 1r6p n GLY 70 Ca 0.11 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.92 -0.01 -0.24 2.61 -4.23 -1.26 -2.08 115.64 108.51 1r6p s THR 71 Ca 0.00 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.43 1r6p s THR 71 Cb 0.00 -0.15 -0.05 0.00 1.34 0.00 0.00 72.50 73.64 1r6p s THR 71 CO 0.00 0.02 0.23 -0.69 -0.54 0.00 0.00 174.62 173.64 1r6p s VAL 72 N 0.31 5.30 0.62 2.29 1.01 -0.13 -4.86 120.40 124.95 1r6p s VAL 72 Ca -0.02 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1r6p s VAL 72 Cb -0.03 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1r6p s VAL 72 CO -0.01 0.30 0.97 -1.81 0.00 0.00 0.00 175.10 174.55 1r6p s ASP 73 N 1.17 5.65 0.44 3.32 1.11 -1.26 -1.65 116.67 125.44 1r6p s ASP 73 Ca 0.11 0.94 0.12 0.00 0.18 0.00 0.00 52.55 53.89 1r6p s ASP 73 Cb -0.14 -1.89 0.99 0.00 1.07 0.00 0.00 42.92 42.95 1r6p s ASP 73 CO 0.06 -1.10 2.03 0.15 1.18 0.00 0.00 175.17 177.49 1r6p h PHE 74 N -0.32 0.41 -0.25 4.23 3.57 -1.99 0.73 116.94 123.33 1r6p h PHE 74 Ca -0.45 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 1r6p h PHE 74 Cb 1.25 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1r6p h PHE 74 CO 0.51 0.23 -0.18 -0.44 -2.23 0.00 0.00 178.31 176.20 1r6p h ASP 75 N 0.42 0.59 0.66 0.41 5.19 -1.99 -1.84 116.42 119.87 1r6p h ASP 75 Ca 0.20 -0.44 -0.08 0.00 -0.62 0.00 0.00 57.03 56.09 1r6p h ASP 75 Cb 0.25 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1r6p h ASP 75 CO -0.05 0.91 -0.38 -0.33 -3.12 0.00 0.00 179.24 176.27 1r6p h GLU 76 N 0.28 0.00 0.21 3.56 5.08 -1.62 -1.37 114.58 120.71 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 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1r6p h GLU 76 CO 0.05 0.38 -0.10 0.35 -1.00 0.00 0.00 179.01 178.69 1r6p h PHE 77 N 0.00 -0.26 0.00 4.33 3.57 0.66 -1.98 116.94 123.26 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 0.81 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1r6p h PHE 77 CO 0.00 0.06 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.67 1r6p h LEU 78 N -0.60 0.00 -0.26 0.59 4.07 -1.31 -2.97 115.31 114.84 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 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1r6p h LEU 78 CO 0.05 0.40 0.13 0.58 -1.08 0.00 0.00 178.44 178.52 1r6p h VAL 79 N 0.00 1.14 -1.16 1.22 2.07 -1.15 -2.33 116.25 116.04 1r6p h VAL 79 Ca -0.00 -0.39 0.33 0.00 0.82 0.00 0.00 66.70 67.45 1r6p h VAL 79 Cb 0.74 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1r6p h VAL 79 CO 0.05 0.14 0.80 -0.03 0.02 0.00 0.00 177.57 178.55 1r6p h MET 80 N 0.28 0.14 0.38 1.57 -1.53 -1.19 0.23 114.93 114.82 1r6p h MET 80 Ca 0.09 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.32 1r6p h MET 80 Cb 0.11 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1r6p h MET 80 CO -0.01 0.09 -0.18 1.98 0.14 0.00 0.00 176.91 178.93 1r6p h MET 81 N 0.15 -0.49 0.00 0.39 -1.53 -1.50 -2.86 114.93 109.09 1r6p h MET 81 Ca 0.60 0.03 -0.08 0.00 -3.44 0.00 0.00 59.70 56.81 1r6p h MET 81 Cb 2.05 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 33.20 1r6p h MET 81 CO -0.14 -0.21 -0.39 -0.39 0.14 0.00 0.00 176.91 175.92 1r6p h VAL 82 N -0.74 1.25 -0.77 -5.77 -1.51 -1.11 -1.81 116.25 105.79 1r6p h VAL 82 Ca -0.05 -1.34 0.06 0.00 -1.23 0.00 0.00 66.70 64.14 1r6p h VAL 82 Cb 0.51 1.73 -0.05 0.00 -2.13 0.00 0.00 31.29 31.35 1r6p h VAL 82 CO 0.09 0.38 0.50 0.03 -1.23 0.00 0.00 177.57 177.34 1r6p h ARG 83 N 0.00 0.80 0.15 5.19 2.47 -0.53 0.30 114.38 122.76 1r6p h ARG 83 Ca -0.00 -0.05 -0.34 0.00 -1.26 0.00 0.00 59.98 58.33 1r6p h ARG 83 Cb 0.70 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1r6p h ARG 83 CO 0.05 0.53 -1.70 0.00 0.56 0.00 0.00 179.97 179.41 1r6p h MET 85 N 0.09 -0.04 -1.87 0.00 1.85 -0.86 -3.49 114.93 110.61 1r6p h MET 85 Ca -0.32 0.00 0.19 0.00 -0.61 0.00 0.00 59.70 58.96 1r6p h MET 85 Cb 2.07 0.01 -0.10 0.00 0.43 0.00 0.00 31.60 34.00 1r6p h MET 85 CO 0.16 0.03 -0.68 1.17 -0.40 0.00 0.00 176.91 177.20 1r6p n LYS 86 N -5.08 -1.78 -2.95 0.39 3.00 0.10 -4.62 118.16 107.22 1r6p n LYS 86 Ca -0.07 1.46 -0.43 0.00 -0.00 0.00 0.00 58.31 59.26 1r6p n LYS 86 Cb 0.07 -2.08 0.01 0.00 0.00 0.00 0.00 35.03 33.03 1r6p n LYS 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1r6p n ASP 87 N -3.26 6.06 -2.88 3.14 -0.08 -1.26 -4.78 116.55 113.48 1r6p n ASP 87 Ca -0.05 -3.30 -0.24 0.00 -1.51 0.00 0.00 54.79 49.70 1r6p n ASP 87 Cb 0.37 -1.33 -0.02 0.00 2.34 0.00 0.00 41.12 42.47 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1r6p n ASP 88 N 2.05 3.50 0.00 1.67 5.68 -1.26 -5.22 116.55 122.97 1r6p n ASP 88 Ca 0.28 -3.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.10 1r6p n ASP 88 Cb 0.35 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63