#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 -2.36 -0.01 7.83 6.94 -1.26 -5.00 115.26 121.40 1r6p n ASN 2 Ca 0.00 -2.98 -0.05 0.00 -0.02 0.00 0.00 54.58 51.53 1r6p n ASN 2 Cb 0.00 1.59 -0.12 0.00 -2.36 0.00 0.00 39.78 38.89 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 1.29 0.80 0.04 0.53 9.92 -1.26 -3.79 116.55 124.09 1r6p n ASP 3 Ca 0.06 0.37 0.03 0.00 -0.53 0.00 0.00 54.79 54.71 1r6p n ASP 3 Cb 0.67 0.12 0.40 0.00 -0.64 0.00 0.00 41.12 41.66 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 1.14 -0.05 0.53 -0.00 -2.01 -1.61 117.51 115.50 1r6p h ILE 4 Ca -0.25 -0.48 -0.19 0.00 -0.00 0.00 0.00 64.86 63.94 1r6p h ILE 4 Cb 1.85 0.82 -0.01 0.00 -0.00 0.00 0.00 36.82 39.49 1r6p h ILE 4 CO 0.06 0.17 -0.77 1.88 -0.00 0.00 0.00 178.15 179.50 1r6p h TYR 5 N 0.43 0.48 0.00 0.16 0.05 -1.94 -3.01 116.97 113.14 1r6p h TYR 5 Ca 0.10 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 1r6p h TYR 5 Cb 0.15 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 1r6p h TYR 5 CO 0.00 0.99 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.77 1r6p h LYS 6 N 0.23 0.00 -0.78 4.88 3.64 -1.41 -2.62 116.57 120.51 1r6p h LYS 6 Ca -0.04 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.51 1r6p h LYS 6 Cb 1.35 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.12 1r6p h LYS 6 CO 0.13 0.11 0.52 0.00 -2.27 0.00 0.00 179.45 177.94 1r6p h ALA 7 N 1.89 2.19 0.14 5.00 0.00 -1.27 0.67 119.26 127.88 1r6p h ALA 7 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1r6p h ALA 7 Cb 0.32 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1r6p h ALA 7 CO 0.01 -0.41 -1.10 0.00 0.00 0.00 0.00 179.25 177.75 1r6p h ALA 8 N 1.64 -0.06 -0.00 0.00 0.00 -1.65 -3.13 119.26 116.06 1r6p h ALA 8 Ca 0.39 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1r6p h ALA 8 Cb 0.96 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1r6p h ALA 8 CO -0.12 0.56 -0.16 0.28 0.00 0.00 0.00 179.25 179.81 1r6p h VAL 9 N 0.02 1.11 0.00 0.00 2.07 -1.26 0.11 116.25 118.30 1r6p h VAL 9 Ca -0.18 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1r6p h VAL 9 Cb 1.83 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1r6p h VAL 9 CO 0.21 0.15 -0.12 1.05 0.02 0.00 0.00 177.57 178.89 1r6p h GLU 10 N 0.00 0.00 0.00 1.57 4.11 -0.98 -3.31 114.58 115.97 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1r6p h GLU 10 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1r6p h GLU 10 CO 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 179.01 179.03 1r6p n GLN 11 N -2.36 1.35 -1.89 1.06 10.64 -0.64 -5.07 117.38 120.47 1r6p n GLN 11 Ca 0.05 -2.12 -0.29 0.00 -1.83 0.00 0.00 57.00 52.80 1r6p n GLN 11 Cb 0.45 -1.25 0.15 0.00 -0.86 0.00 0.00 30.24 28.72 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 -2.09 2.57 0.39 2.61 0.05 0.29 -5.02 118.68 117.48 1r6p s LEU 12 Ca 0.21 0.50 0.07 0.00 0.05 0.00 0.00 54.13 54.96 1r6p s LEU 12 Cb 0.19 -2.72 0.00 0.00 -2.05 0.00 0.00 46.19 41.61 1r6p s LEU 12 CO 0.02 -2.43 0.54 0.42 -0.55 0.00 0.00 176.35 174.35 1r6p s THR 13 N -3.73 3.42 0.26 5.48 -4.23 -1.26 -5.02 115.64 110.57 1r6p s THR 13 Ca 0.69 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 60.28 1r6p s THR 13 Cb -0.07 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 1r6p s THR 13 CO 0.51 -0.07 1.62 -0.78 -0.54 0.00 0.00 174.62 175.37 1r6p h ASP 14 N 0.71 0.26 0.34 3.99 3.58 -2.00 -2.80 116.42 120.50 1r6p h ASP 14 Ca -0.42 -0.13 -0.13 0.00 0.42 0.00 0.00 57.03 56.77 1r6p h ASP 14 Cb 1.27 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1r6p h ASP 14 CO 0.49 0.73 -0.53 -0.33 -2.88 0.00 0.00 179.24 176.72 1r6p h GLU 15 N 0.18 0.21 -0.59 0.28 4.39 -1.99 -1.84 114.58 115.23 1r6p h GLU 15 Ca 0.00 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 1r6p h GLU 15 Cb 0.98 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1r6p h GLU 15 CO 0.08 0.69 0.09 0.37 -1.16 0.00 0.00 179.01 179.08 1r6p h GLN 16 N 0.16 0.98 -0.50 2.33 4.15 -1.90 -1.30 115.11 119.02 1r6p h GLN 16 Ca 0.00 -0.27 -0.11 0.00 0.77 0.00 0.00 58.65 59.05 1r6p h GLN 16 Cb 0.99 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1r6p h GLN 16 CO 0.08 0.93 -0.11 0.87 -1.93 0.00 0.00 178.83 178.67 1r6p h LYS 17 N 0.87 0.96 -0.36 1.69 1.57 -1.35 -2.86 116.57 117.08 1r6p h LYS 17 Ca 0.18 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1r6p h LYS 17 Cb 0.43 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1r6p h LYS 17 CO 0.01 1.03 0.12 -0.91 -0.57 0.00 0.00 179.45 179.14 1r6p h ASN 18 N 0.82 0.47 -0.15 0.86 2.35 -1.07 0.33 115.58 119.19 1r6p h ASN 18 Ca 0.13 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1r6p h ASN 18 Cb 0.67 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 1r6p h ASN 18 CO 0.05 0.45 -0.13 -0.08 -1.65 0.00 0.00 177.43 176.07 1r6p h GLU 19 N 0.52 -0.14 0.17 0.81 4.57 -1.00 0.25 114.58 119.76 1r6p h GLU 19 Ca 0.13 0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.09 1r6p h GLU 19 Cb 0.14 0.03 0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1r6p h GLU 19 CO -0.01 -0.09 -1.00 0.74 -1.18 0.00 0.00 179.01 177.46 1r6p h PHE 20 N -0.15 0.68 -0.88 0.92 -1.00 -1.52 -3.32 116.94 111.67 1r6p h PHE 20 Ca 0.10 -0.49 0.16 0.00 2.81 0.00 0.00 57.97 60.54 1r6p h PHE 20 Cb 0.29 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 39.75 1r6p h PHE 20 CO -0.26 1.38 0.57 -0.22 -1.61 0.00 0.00 178.31 178.17 1r6p h LYS 21 N -0.21 0.60 -0.32 1.51 1.63 -0.25 0.33 116.57 119.87 1r6p h LYS 21 Ca -0.17 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1r6p h LYS 21 Cb 1.79 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 33.24 1r6p h LYS 21 CO 0.19 0.40 0.05 0.00 -3.45 0.00 0.00 179.45 176.64 1r6p h ALA 22 N 1.61 0.33 -0.00 5.00 0.00 -1.04 0.30 119.26 125.45 1r6p h ALA 22 Ca 0.45 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 1r6p h ALA 22 Cb 0.81 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1r6p h ALA 22 CO -0.20 -0.35 -0.71 0.00 0.00 0.00 0.00 179.25 177.99 1r6p h ALA 23 N 1.24 0.82 -0.55 0.00 0.00 -1.38 -3.14 119.26 116.24 1r6p h ALA 23 Ca 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1r6p h ALA 23 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1r6p h ALA 23 CO -0.21 0.87 0.14 0.35 0.00 0.00 0.00 179.25 180.41 1r6p h PHE 24 N 0.02 0.92 0.00 0.00 3.04 0.78 -1.83 116.94 119.87 1r6p h PHE 24 Ca -0.01 -0.11 -0.11 0.00 3.98 0.00 0.00 57.97 61.72 1r6p h PHE 24 Cb 1.26 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 1r6p h PHE 24 CO 0.00 0.80 -0.52 0.38 -2.02 0.00 0.00 178.31 176.96 1r6p h ASP 25 N 0.78 0.00 0.50 0.41 3.04 -0.47 -1.49 116.42 119.19 1r6p h ASP 25 Ca 0.17 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.70 1r6p h ASP 25 Cb 0.34 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.63 1r6p h ASP 25 CO 0.00 0.52 -1.18 0.16 -2.04 0.00 0.00 179.24 176.69 1r6p h ILE 26 N 0.00 1.44 0.07 4.15 3.07 -1.49 -1.88 117.51 122.88 1r6p h ILE 26 Ca -0.01 -2.84 -0.28 0.00 1.55 0.00 0.00 64.86 63.29 1r6p h ILE 26 Cb 1.02 2.80 0.02 0.00 -0.27 0.00 0.00 36.82 40.40 1r6p h ILE 26 CO 0.07 0.84 -1.15 -0.26 -1.05 0.00 0.00 178.15 176.59 1r6p h PHE 27 N 0.13 1.00 -0.45 0.16 0.04 -1.32 -3.21 116.94 113.29 1r6p h PHE 27 Ca -0.13 -0.59 0.00 0.00 2.80 0.00 0.00 57.97 60.05 1r6p h PHE 27 Cb 1.88 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.93 1r6p h PHE 27 CO 0.07 1.43 0.00 0.44 -0.60 0.00 0.00 178.31 179.65 1r6p n ILE 28 N -3.81 0.68 -0.33 -0.55 -6.64 -0.57 -4.41 119.36 103.74 1r6p n ILE 28 Ca -0.12 -0.62 0.17 0.00 -1.77 0.00 0.00 62.75 60.41 1r6p n ILE 28 Cb 0.94 0.26 0.38 0.00 -1.44 0.00 0.00 39.64 39.78 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 2.64 0.47 -0.46 6.28 4.15 -1.34 0.23 115.11 127.08 1r6p h GLN 29 Ca 0.00 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.22 1r6p h GLN 29 Cb 0.66 -0.11 -0.10 0.00 0.21 0.00 0.00 27.48 28.14 1r6p h GLN 29 CO 0.02 0.31 0.08 -0.40 -1.93 0.00 0.00 178.83 176.91 1r6p n ASP 30 N -4.96 3.37 -4.93 -0.69 5.75 -1.26 -5.00 116.55 108.83 1r6p n ASP 30 Ca 0.26 -3.46 -0.30 0.00 -0.01 0.00 0.00 54.79 51.29 1r6p n ASP 30 Cb 0.75 -0.65 -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 -3.10 3.99 -0.34 2.12 0.00 0.79 -5.03 121.76 120.19 1r6p s ALA 31 Ca 0.47 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.63 1r6p s ALA 31 Cb 0.40 -1.82 0.45 0.00 0.00 0.00 0.00 23.12 22.15 1r6p s ALA 31 CO 0.06 0.74 1.13 0.39 0.00 0.00 0.00 175.76 178.08 1r6p n GLU 32 N 0.03 3.12 0.00 0.00 1.02 -1.26 -4.75 120.64 118.80 1r6p n GLU 32 Ca -0.06 -4.12 0.00 0.00 -0.02 0.00 0.00 57.16 52.96 1r6p n GLU 32 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1r6p n ASP 33 N -0.56 0.00 0.00 1.62 2.03 -1.26 -5.08 116.55 113.30 1r6p n ASP 33 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1r6p n ASP 33 Cb 0.83 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r6p n GLY 34 N 0.93 0.89 3.58 0.27 0.00 -1.26 -5.14 105.19 104.45 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 -0.33 2.09 -0.26 0.00 -5.25 0.44 -4.79 121.20 113.10 1r6p s ILE 36 Ca -0.05 -0.44 -0.18 0.00 -0.99 0.00 0.00 60.65 58.98 1r6p s ILE 36 Cb -0.03 -2.64 -0.03 0.00 2.95 0.00 0.00 42.46 42.71 1r6p s ILE 36 CO 0.05 0.00 0.53 -0.55 -1.79 0.00 0.00 174.94 173.18 1r6p s SER 37 N -4.78 6.44 0.38 4.36 0.15 -1.26 -0.90 113.70 118.09 1r6p s SER 37 Ca 0.68 0.52 0.13 0.00 0.70 0.00 0.00 55.95 57.98 1r6p s SER 37 Cb -0.05 -2.29 0.94 0.00 -1.71 0.00 0.00 66.02 62.91 1r6p s SER 37 CO 0.47 -0.30 1.86 0.71 1.20 0.00 0.00 173.24 177.17 1r6p h THR 38 N 5.41 0.75 -0.08 6.45 1.35 -1.72 0.39 112.91 125.46 1r6p h THR 38 Ca -0.29 -0.19 -0.07 0.00 -0.55 0.00 0.00 66.41 65.32 1r6p h THR 38 Cb 1.14 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1r6p h THR 38 CO 0.72 0.10 -0.25 0.07 -0.25 0.00 0.00 175.52 175.92 1r6p h LYS 39 N 0.56 0.14 -0.50 4.72 2.10 -1.92 -2.20 116.57 119.47 1r6p h LYS 39 Ca 0.47 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1r6p h LYS 39 Cb 0.94 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1r6p h LYS 39 CO -0.21 0.39 0.00 -0.85 -2.00 0.00 0.00 179.45 176.78 1r6p n GLU 40 N -4.19 1.90 -0.12 0.07 0.28 0.14 -4.25 120.64 114.47 1r6p n GLU 40 Ca -0.01 -0.99 0.17 0.00 -0.16 0.00 0.00 57.16 56.17 1r6p n GLU 40 Cb 0.34 -1.43 0.56 0.00 1.43 0.00 0.00 31.44 32.33 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1r6p h LEU 41 N 1.44 0.28 -1.71 -1.84 7.12 -1.17 0.98 115.31 120.42 1r6p h LEU 41 Ca 0.00 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.06 1r6p h LEU 41 Cb 0.62 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 1r6p h LEU 41 CO 0.07 0.15 0.27 1.23 -0.13 0.00 0.00 178.44 180.02 1r6p h GLY 42 N 0.30 0.44 2.00 3.75 0.00 -1.84 0.56 103.07 108.28 1r6p h GLY 42 Ca 0.34 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 1r6p h GLY 42 CO -0.08 0.13 -0.49 0.50 0.00 0.00 0.00 176.54 176.59 1r6p h LYS 43 N 0.38 0.00 0.09 4.80 1.79 -1.13 -1.47 116.57 121.02 1r6p h LYS 43 Ca 0.17 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.30 1r6p h LYS 43 Cb 0.19 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 1r6p h LYS 43 CO -0.04 0.49 -1.86 -0.39 -1.08 0.00 0.00 179.45 176.58 1r6p h VAL 44 N 0.00 0.75 -0.62 0.50 -1.51 -1.09 -3.30 116.25 110.98 1r6p h VAL 44 Ca -0.00 -2.50 -0.07 0.00 -1.23 0.00 0.00 66.70 62.89 1r6p h VAL 44 Cb 0.97 2.51 -0.02 0.00 -2.13 0.00 0.00 31.29 32.61 1r6p h VAL 44 CO 0.06 0.76 0.12 -0.03 -1.23 0.00 0.00 177.57 177.25 1r6p h MET 45 N 0.05 1.01 -0.50 5.19 -1.53 0.06 -0.25 114.93 118.96 1r6p h MET 45 Ca -0.36 -0.26 -0.01 0.00 -3.44 0.00 0.00 59.70 55.63 1r6p h MET 45 Cb 2.03 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 32.93 1r6p h MET 45 CO 0.09 0.94 0.27 0.07 0.14 0.00 0.00 176.91 178.42 1r6p h ARG 46 N 0.92 0.68 -0.02 0.39 0.11 -0.56 0.25 114.38 116.15 1r6p h ARG 46 Ca 0.19 -0.07 -0.17 0.00 0.10 0.00 0.00 59.98 60.04 1r6p h ARG 46 Cb 0.40 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 1r6p h ARG 46 CO 0.01 0.51 -0.75 0.52 0.10 0.00 0.00 179.97 180.36 1r6p h MET 47 N 0.69 0.15 -0.02 0.08 2.86 -1.52 -3.07 114.93 114.11 1r6p h MET 47 Ca 0.18 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1r6p h MET 47 Cb 0.02 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1r6p h MET 47 CO -0.03 0.83 -0.57 -0.07 1.06 0.00 0.00 176.91 178.13 1r6p h LEU 48 N 0.10 0.05 0.00 1.22 4.07 0.15 -3.47 115.31 117.43 1r6p h LEU 48 Ca -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1r6p h LEU 48 Cb 1.31 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1r6p h LEU 48 CO 0.11 0.61 0.00 0.61 -1.08 0.00 0.00 178.44 178.69 1r6p n GLY 49 N 0.12 1.93 3.34 0.83 0.00 0.15 -5.09 105.19 106.48 1r6p n GLY 49 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 1.43 -0.50 1.61 -1.52 0.64 -4.99 119.66 116.33 1r6p s GLN 50 Ca 0.00 -1.77 0.07 0.00 -1.95 0.00 0.00 55.36 51.71 1r6p s GLN 50 Cb 0.00 -0.45 0.19 0.00 -0.22 0.00 0.00 33.01 32.53 1r6p s GLN 50 CO 0.00 -0.23 0.68 1.21 -0.25 0.00 0.00 175.29 176.70 1r6p s ASN 51 N -3.34 -1.08 0.00 5.90 2.47 -1.26 -1.92 114.94 115.70 1r6p s ASN 51 Ca 0.35 -1.87 0.00 0.00 0.42 0.00 0.00 52.86 51.76 1r6p s ASN 51 Cb 0.08 1.60 0.00 0.00 -1.45 0.00 0.00 41.25 41.48 1r6p s ASN 51 CO 0.13 -0.07 0.00 -0.81 -3.72 0.00 0.00 177.10 172.63 1r6p n PRO 52 N 2.98 1.41 -3.73 0.43 -0.04 -1.26 -5.11 135.00 129.68 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 0.40 2.21 0.14 0.52 -4.23 -1.26 -4.98 115.64 108.44 1r6p s THR 53 Ca 0.00 -1.43 0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1r6p s THR 53 Cb 0.00 -2.64 0.07 0.00 1.34 0.00 0.00 72.50 71.27 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 0.94 0.00 0.10 3.99 0.13 -1.99 -1.47 132.00 133.70 1r6p h PRO 54 Ca -0.39 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r6p h PRO 54 CO 0.58 0.48 -1.25 0.93 -0.23 0.00 0.00 178.00 178.51 1r6p h GLU 55 N 0.00 0.22 -0.05 0.86 5.08 -1.99 -2.75 114.58 115.95 1r6p h GLU 55 Ca -0.00 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1r6p h GLU 55 Cb 1.06 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r6p h GLU 55 CO 0.06 1.15 -0.08 1.49 -1.00 0.00 0.00 179.01 180.63 1r6p h GLU 56 N 0.06 0.14 -0.13 2.33 4.81 -1.94 -3.16 114.58 116.69 1r6p h GLU 56 Ca -0.13 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1r6p h GLU 56 Cb 1.95 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 1r6p h GLU 56 CO 0.18 0.65 -0.16 1.37 -0.73 0.00 0.00 179.01 180.32 1r6p h LEU 57 N -0.35 0.20 -1.79 1.64 8.10 -1.39 -2.35 115.31 119.36 1r6p h LEU 57 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 1r6p h LEU 57 Cb 0.64 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1r6p h LEU 57 CO 0.02 0.38 -0.10 -0.61 -4.11 0.00 0.00 178.44 174.02 1r6p h GLN 58 N 0.20 0.00 0.06 0.17 5.75 -1.47 -1.42 115.11 118.39 1r6p h GLN 58 Ca 0.04 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1r6p h GLN 58 Cb 0.41 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1r6p h GLN 58 CO 0.03 0.10 -0.03 0.93 -2.65 0.00 0.00 178.83 177.21 1r6p h GLU 59 N 0.00 -0.07 -0.34 1.69 4.39 -1.39 0.84 114.58 119.70 1r6p h GLU 59 Ca -0.00 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1r6p h GLU 59 Cb 0.18 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1r6p h GLU 59 CO 0.01 0.26 0.01 0.00 -1.16 0.00 0.00 179.01 178.13 1r6p h MET 60 N -0.41 0.52 -0.40 2.33 -0.00 -1.54 -1.94 114.93 113.50 1r6p h MET 60 Ca -0.01 -0.11 -0.06 0.00 -0.00 0.00 0.00 59.70 59.52 1r6p h MET 60 Cb 0.37 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.88 1r6p h MET 60 CO 0.01 0.55 0.00 0.82 -0.00 0.00 0.00 176.91 178.29 1r6p h ILE 61 N 0.50 1.26 -0.80 -0.10 1.08 -1.15 0.35 117.51 118.66 1r6p h ILE 61 Ca 0.11 -1.01 0.02 0.00 -0.39 0.00 0.00 64.86 63.59 1r6p h ILE 61 Cb 0.32 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1r6p h ILE 61 CO 0.01 0.34 0.53 -0.78 -0.69 0.00 0.00 178.15 177.56 1r6p h ASP 62 N 0.53 0.89 0.02 1.72 1.82 -0.30 0.45 116.42 121.55 1r6p h ASP 62 Ca 0.11 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1r6p h ASP 62 Cb 0.47 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1r6p h ASP 62 CO 0.02 0.62 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.93 1r6p h GLU 63 N 1.04 -0.03 0.95 0.28 5.08 -1.12 -3.39 114.58 117.39 1r6p h GLU 63 Ca 0.31 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1r6p h GLU 63 Cb -0.04 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1r6p h GLU 63 CO -0.08 0.59 -0.47 0.28 -1.00 0.00 0.00 179.01 178.32 1r6p h VAL 64 N -0.97 0.00 -1.21 3.13 2.07 -0.23 -3.38 116.25 115.66 1r6p h VAL 64 Ca -0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 1r6p h VAL 64 Cb 0.63 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1r6p h VAL 64 CO 0.01 0.00 1.05 -0.62 0.02 0.00 0.00 177.57 178.02 1r6p s ASP 65 N -3.95 4.43 0.23 0.57 -1.08 0.16 -4.79 116.67 112.23 1r6p s ASP 65 Ca -0.19 0.54 -0.06 0.00 -0.52 0.00 0.00 52.55 52.32 1r6p s ASP 65 Cb 0.02 -2.52 0.21 0.00 -1.46 0.00 0.00 42.92 39.17 1r6p s ASP 65 CO 0.58 -3.11 1.74 1.05 0.52 0.00 0.00 175.17 175.94 1r6p h GLU 66 N 16.30 1.00 0.17 4.34 4.11 -1.84 -3.10 114.58 135.56 1r6p h GLU 66 Ca -0.14 -0.25 -0.32 0.00 0.07 0.00 0.00 59.36 58.72 1r6p h GLU 66 Cb 1.15 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.29 1r6p h GLU 66 CO 1.13 0.92 -1.51 0.38 0.07 0.00 0.00 179.01 180.00 1r6p h ASP 67 N 0.95 0.57 -3.12 3.06 2.03 -1.95 -3.49 116.42 114.47 1r6p h ASP 67 Ca 0.19 -0.70 -0.11 0.00 -0.73 0.00 0.00 57.03 55.68 1r6p h ASP 67 Cb 0.40 -0.18 0.05 0.00 -0.83 0.00 0.00 39.33 38.77 1r6p h ASP 67 CO 0.01 1.57 -0.25 0.61 -1.03 0.00 0.00 179.24 180.15 1r6p n GLY 68 N 1.69 0.22 0.44 7.15 0.00 -1.17 -4.95 105.19 108.57 1r6p n GLY 68 Ca -0.17 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.44 1.32 -0.35 1.61 3.41 -1.26 -4.89 113.62 112.03 1r6p n SER 69 Ca -0.08 -1.65 -0.04 0.00 -0.26 0.00 0.00 58.87 56.83 1r6p n SER 69 Cb 0.55 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.06 0.71 2.97 5.00 0.00 -1.26 -5.01 105.19 108.65 1r6p n GLY 70 Ca 0.16 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.17 -0.09 -0.30 2.61 -4.23 -1.26 -2.00 115.64 108.21 1r6p s THR 71 Ca 0.00 0.19 -0.21 0.00 -1.18 0.00 0.00 61.69 60.49 1r6p s THR 71 Cb 0.00 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.52 1r6p s THR 71 CO 0.00 0.08 0.69 -0.69 -0.54 0.00 0.00 174.62 174.16 1r6p s VAL 72 N 1.41 4.90 0.72 2.29 1.01 -0.08 -4.80 120.40 125.85 1r6p s VAL 72 Ca -0.07 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 1r6p s VAL 72 Cb -0.11 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.26 1r6p s VAL 72 CO -0.07 -0.15 1.09 -1.81 0.00 0.00 0.00 175.10 174.16 1r6p s ASP 73 N 1.60 5.21 0.33 3.32 1.11 -1.26 -0.42 116.67 126.55 1r6p s ASP 73 Ca 0.28 0.95 0.03 0.00 0.18 0.00 0.00 52.55 54.00 1r6p s ASP 73 Cb -0.15 -1.70 0.64 0.00 1.07 0.00 0.00 42.92 42.78 1r6p s ASP 73 CO 0.11 -1.45 1.93 0.15 1.18 0.00 0.00 175.17 177.09 1r6p h PHE 74 N -0.68 0.92 -0.48 4.23 3.57 -1.98 0.69 116.94 123.20 1r6p h PHE 74 Ca -0.45 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.02 1r6p h PHE 74 Cb 1.28 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1r6p h PHE 74 CO 0.44 0.47 0.09 0.22 -2.23 0.00 0.00 178.31 177.30 1r6p h ASP 75 N 0.89 0.75 0.88 0.41 3.58 -1.93 -2.01 116.42 118.99 1r6p h ASP 75 Ca 0.36 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 1r6p h ASP 75 Cb 0.26 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1r6p h ASP 75 CO -0.13 0.82 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.41 1r6p h GLU 76 N 0.66 0.00 0.19 0.28 5.08 -1.58 -2.39 114.58 116.82 1r6p h GLU 76 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1r6p h GLU 76 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1r6p h GLU 76 CO 0.01 0.30 -0.09 0.35 -1.00 0.00 0.00 179.01 178.58 1r6p h PHE 77 N 0.00 -0.24 -0.46 4.33 3.57 0.86 0.63 116.94 125.63 1r6p h PHE 77 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1r6p h PHE 77 Cb 0.82 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1r6p h PHE 77 CO 0.00 0.12 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.03 1r6p h LEU 78 N -0.64 0.81 -0.43 0.59 3.38 -1.40 -2.92 115.31 114.70 1r6p h LEU 78 Ca -0.03 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1r6p h LEU 78 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1r6p h LEU 78 CO 0.04 0.94 -0.00 1.62 0.09 0.00 0.00 178.44 181.13 1r6p h VAL 79 N 0.75 1.26 -1.17 1.22 3.04 -1.45 -2.77 116.25 117.13 1r6p h VAL 79 Ca 0.13 -1.03 0.34 0.00 -1.01 0.00 0.00 66.70 65.12 1r6p h VAL 79 Cb 0.60 1.07 -0.10 0.00 -2.01 0.00 0.00 31.29 30.85 1r6p h VAL 79 CO 0.04 0.35 0.76 -0.03 -1.01 0.00 0.00 177.57 177.68 1r6p h MET 80 N 0.60 0.23 0.45 4.17 4.05 -0.66 0.43 114.93 124.21 1r6p h MET 80 Ca 0.12 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1r6p h MET 80 Cb 0.49 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1r6p h MET 80 CO 0.02 0.15 -0.22 1.98 0.23 0.00 0.00 176.91 179.08 1r6p h MET 81 N 0.24 -0.58 0.00 0.39 -1.53 -1.49 -2.92 114.93 109.04 1r6p h MET 81 Ca 0.68 0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 56.94 1r6p h MET 81 Cb 1.99 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 33.17 1r6p h MET 81 CO -0.31 -0.28 -0.20 -0.39 0.14 0.00 0.00 176.91 175.87 1r6p h VAL 82 N -1.00 1.09 -0.09 -5.77 -1.51 -1.23 -2.11 116.25 105.63 1r6p h VAL 82 Ca -0.06 -0.70 -0.03 0.00 -1.23 0.00 0.00 66.70 64.68 1r6p h VAL 82 Cb 0.57 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1r6p h VAL 82 CO 0.10 0.20 -0.10 0.03 -1.23 0.00 0.00 177.57 176.57 1r6p h ARG 83 N 0.00 0.13 -0.03 5.19 3.08 -0.19 0.83 114.38 123.40 1r6p h ARG 83 Ca -0.00 -0.02 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 1r6p h ARG 83 Cb 0.37 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1r6p h ARG 83 CO 0.03 0.24 -0.96 0.00 -1.07 0.00 0.00 179.97 178.21 1r6p n MET 85 N -3.84 0.19 -2.67 0.00 0.00 -0.99 -4.78 117.12 105.03 1r6p n MET 85 Ca -0.09 0.36 -0.42 0.00 -0.00 0.00 0.00 57.70 57.55 1r6p n MET 85 Cb 0.84 -1.13 -0.03 0.00 0.00 0.00 0.00 33.22 32.90 1r6p n MET 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1r6p s LYS 86 N -1.52 3.25 -0.35 2.12 2.36 0.29 -4.70 119.74 121.19 1r6p s LYS 86 Ca -0.06 -0.29 0.05 0.00 -2.55 0.00 0.00 55.97 53.12 1r6p s LYS 86 Cb 0.01 -4.14 0.21 0.00 -1.05 0.00 0.00 37.83 32.85 1r6p s LYS 86 CO 0.09 -1.89 1.19 -3.47 1.55 0.00 0.00 175.35 172.82 1r6p n ASP 87 N 8.55 -1.48 0.13 1.43 -0.08 -1.26 -4.13 116.55 119.71 1r6p n ASP 87 Ca 0.02 -2.01 0.00 0.00 -1.51 0.00 0.00 54.79 51.29 1r6p n ASP 87 Cb 0.48 1.02 0.00 0.00 2.34 0.00 0.00 41.12 44.96 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1r6p n ASP 88 N -0.54 -2.42 -0.31 1.67 2.03 -1.26 -5.11 116.55 110.61 1r6p n ASP 88 Ca -0.16 0.74 0.15 0.00 0.52 0.00 0.00 54.79 56.03 1r6p n ASP 88 Cb 0.74 2.46 0.68 0.00 -0.72 0.00 0.00 41.12 44.27 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04