#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 -0.64 0.15 7.83 6.94 -1.26 -4.80 115.26 123.48 1r6p n ASN 2 Ca 0.00 -1.18 0.06 0.00 -0.02 0.00 0.00 54.58 53.44 1r6p n ASN 2 Cb 0.00 -1.49 0.06 0.00 -2.36 0.00 0.00 39.78 35.99 1r6p n ASN 2 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1r6p h ASP 3 N -1.14 0.00 -0.46 0.53 2.03 -2.05 -3.30 116.42 112.03 1r6p h ASP 3 Ca -0.59 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 55.85 1r6p h ASP 3 Cb 1.31 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.79 1r6p h ASP 3 CO 0.77 0.31 0.33 0.16 -1.03 0.00 0.00 179.24 179.78 1r6p h ILE 4 N 0.00 0.76 -0.24 4.15 -2.65 -1.98 0.18 117.51 117.73 1r6p h ILE 4 Ca -0.02 0.00 -0.03 0.00 1.03 0.00 0.00 64.86 65.85 1r6p h ILE 4 Cb 1.25 0.77 -0.01 0.00 -2.05 0.00 0.00 36.82 36.78 1r6p h ILE 4 CO 0.04 0.00 0.05 1.88 0.03 0.00 0.00 178.15 180.15 1r6p h TYR 5 N 0.00 0.41 0.00 0.16 0.05 -1.96 -2.61 116.97 113.01 1r6p h TYR 5 Ca 0.22 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1r6p h TYR 5 Cb 0.88 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 1r6p h TYR 5 CO 0.00 0.50 -0.30 0.87 -1.05 0.00 0.00 178.16 178.18 1r6p h LYS 6 N 0.20 0.00 0.00 4.88 6.56 -1.45 -3.16 116.57 123.61 1r6p h LYS 6 Ca 0.07 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.60 1r6p h LYS 6 Cb 0.30 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1r6p h LYS 6 CO 0.00 0.30 -0.32 0.00 -2.06 0.00 0.00 179.45 177.37 1r6p h ALA 7 N 1.70 1.25 0.10 3.86 0.00 -0.46 -2.41 119.26 123.30 1r6p h ALA 7 Ca -0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1r6p h ALA 7 Cb 1.09 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1r6p h ALA 7 CO 0.04 0.40 -0.68 0.00 0.00 0.00 0.00 179.25 179.01 1r6p h ALA 8 N 1.68 -0.04 0.00 0.00 0.00 -1.44 -3.16 119.26 116.30 1r6p h ALA 8 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1r6p h ALA 8 Cb 0.66 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1r6p h ALA 8 CO 0.04 0.33 -0.10 -0.24 0.00 0.00 0.00 179.25 179.29 1r6p h VAL 9 N -0.53 0.73 0.00 0.00 3.04 -1.55 0.26 116.25 118.20 1r6p h VAL 9 Ca -0.13 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1r6p h VAL 9 Cb 1.50 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 1r6p h VAL 9 CO 0.10 0.09 -0.15 1.05 -1.01 0.00 0.00 177.57 177.66 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.52 -3.32 114.58 118.02 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 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1r6p h GLU 10 CO 0.01 0.00 -0.13 0.00 0.07 0.00 0.00 179.01 178.96 1r6p n GLN 11 N -2.65 1.11 -1.97 1.06 10.64 -0.50 -5.07 117.38 120.00 1r6p n GLN 11 Ca 0.04 -2.42 -0.29 0.00 -1.83 0.00 0.00 57.00 52.50 1r6p n GLN 11 Cb 0.49 -1.35 0.18 0.00 -0.86 0.00 0.00 30.24 28.70 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 -2.47 2.73 0.62 2.61 0.05 -0.04 -5.02 118.68 117.17 1r6p s LEU 12 Ca 0.28 0.22 -0.03 0.00 0.05 0.00 0.00 54.13 54.66 1r6p s LEU 12 Cb 0.25 -2.27 0.05 0.00 -2.05 0.00 0.00 46.19 42.16 1r6p s LEU 12 CO 0.01 -2.70 0.89 0.42 -0.55 0.00 0.00 176.35 174.42 1r6p s THR 13 N -3.86 2.52 0.25 5.48 -4.23 -1.26 -4.99 115.64 109.56 1r6p s THR 13 Ca 0.74 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1r6p s THR 13 Cb -0.04 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 70.78 1r6p s THR 13 CO 0.53 -0.02 1.61 0.44 -0.54 0.00 0.00 174.62 176.64 1r6p h ASP 14 N -0.25 0.36 0.22 3.99 3.32 -2.00 -2.63 116.42 119.43 1r6p h ASP 14 Ca -0.43 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.36 1r6p h ASP 14 Cb 1.30 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1r6p h ASP 14 CO 0.56 0.79 -0.31 1.05 -1.72 0.00 0.00 179.24 179.61 1r6p h GLU 15 N 0.26 0.15 -0.33 3.56 4.11 -1.97 -0.49 114.58 119.87 1r6p h GLU 15 Ca 0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1r6p h GLU 15 Cb 0.96 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1r6p h GLU 15 CO 0.08 0.46 0.01 0.37 0.07 0.00 0.00 179.01 180.00 1r6p h GLN 16 N 0.13 0.57 -0.32 1.06 4.15 -1.86 0.20 115.11 119.05 1r6p h GLN 16 Ca 0.02 -0.18 -0.08 0.00 0.77 0.00 0.00 58.65 59.19 1r6p h GLN 16 Cb 0.63 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1r6p h GLN 16 CO 0.05 0.69 -0.10 0.87 -1.93 0.00 0.00 178.83 178.41 1r6p h LYS 17 N 0.38 0.62 0.00 1.69 1.57 -1.29 -2.86 116.57 116.69 1r6p h LYS 17 Ca 0.09 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1r6p h LYS 17 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1r6p h LYS 17 CO 0.01 0.82 -0.23 -0.91 -0.57 0.00 0.00 179.45 178.57 1r6p h ASN 18 N 0.39 0.00 -0.27 0.86 2.35 -0.99 0.14 115.58 118.06 1r6p h ASN 18 Ca 0.08 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1r6p h ASN 18 Cb 0.60 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 1r6p h ASN 18 CO 0.04 0.23 0.03 -0.08 -1.65 0.00 0.00 177.43 176.00 1r6p h GLU 19 N 0.00 0.12 0.10 0.81 4.81 -0.36 0.73 114.58 120.79 1r6p h GLU 19 Ca -0.00 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 1r6p h GLU 19 Cb 0.42 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1r6p h GLU 19 CO 0.03 0.08 -0.93 0.74 -0.73 0.00 0.00 179.01 178.19 1r6p h PHE 20 N 0.12 0.39 -0.98 0.92 -1.00 -1.50 -3.33 116.94 111.57 1r6p h PHE 20 Ca 0.12 -0.29 0.17 0.00 2.81 0.00 0.00 57.97 60.79 1r6p h PHE 20 Cb 0.14 -0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.60 1r6p h PHE 20 CO -0.18 1.36 0.61 -0.22 -1.61 0.00 0.00 178.31 178.27 1r6p h LYS 21 N -0.49 0.74 0.25 1.51 1.63 -0.68 0.98 116.57 120.52 1r6p h LYS 21 Ca -0.19 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1r6p h LYS 21 Cb 1.57 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 33.01 1r6p h LYS 21 CO 0.07 0.49 -0.22 0.00 -3.45 0.00 0.00 179.45 176.35 1r6p h ALA 22 N 1.61 -0.47 -0.34 5.00 0.00 -0.98 0.12 119.26 124.20 1r6p h ALA 22 Ca 0.53 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 1r6p h ALA 22 Cb 0.82 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1r6p h ALA 22 CO -0.30 -0.79 -0.16 0.00 0.00 0.00 0.00 179.25 178.00 1r6p h ALA 23 N 0.21 1.08 -0.83 0.00 0.00 -1.40 -2.73 119.26 115.59 1r6p h ALA 23 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1r6p h ALA 23 Cb 0.44 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1r6p h ALA 23 CO -0.03 0.56 0.50 0.35 0.00 0.00 0.00 179.25 180.63 1r6p h PHE 24 N 0.56 0.91 -0.35 0.00 3.04 0.16 0.29 116.94 121.54 1r6p h PHE 24 Ca 0.09 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1r6p h PHE 24 Cb 0.59 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 1r6p h PHE 24 CO 0.02 0.43 0.17 -0.44 -2.02 0.00 0.00 178.31 176.47 1r6p h ASP 25 N 0.88 0.46 -0.31 0.41 3.32 -0.47 0.44 116.42 121.14 1r6p h ASP 25 Ca 0.38 -0.12 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 1r6p h ASP 25 Cb 0.25 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1r6p h ASP 25 CO -0.20 0.44 -0.49 0.16 -1.72 0.00 0.00 179.24 177.43 1r6p h ILE 26 N 0.43 1.27 0.00 0.35 3.07 -1.32 -2.62 117.51 118.69 1r6p h ILE 26 Ca 0.12 -1.67 -0.10 0.00 1.55 0.00 0.00 64.86 64.76 1r6p h ILE 26 Cb 0.11 1.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.18 1r6p h ILE 26 CO -0.02 0.55 -0.48 -0.26 -1.05 0.00 0.00 178.15 176.89 1r6p h PHE 27 N 0.70 0.00 -0.98 0.16 0.04 -0.33 -2.97 116.94 113.56 1r6p h PHE 27 Ca 0.03 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.15 1r6p h PHE 27 Cb 1.09 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 38.92 1r6p h PHE 27 CO 0.07 0.48 0.45 1.51 -0.60 0.00 0.00 178.31 180.23 1r6p n ILE 28 N -3.73 3.35 -0.04 -0.55 0.00 0.15 -4.52 119.36 114.02 1r6p n ILE 28 Ca -0.01 -3.31 -0.07 0.00 0.00 0.00 0.00 62.75 59.35 1r6p n ILE 28 Cb 0.54 -1.16 -0.07 0.00 0.00 0.00 0.00 39.64 38.96 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 2.08 -0.03 -0.00 9.51 5.75 -1.30 -3.32 115.11 127.80 1r6p h GLN 29 Ca 0.55 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.05 1r6p h GLN 29 Cb 0.96 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1r6p h GLN 29 CO 1.38 0.46 -0.00 -0.40 -2.65 0.00 0.00 178.83 177.62 1r6p n ASP 30 N -4.73 0.03 -4.94 -0.69 5.75 -1.26 -4.83 116.55 105.89 1r6p n ASP 30 Ca -0.05 -0.75 -0.26 0.00 -0.01 0.00 0.00 54.79 53.72 1r6p n ASP 30 Cb 0.24 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 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 -2.18 3.96 -0.21 2.12 0.00 -1.25 -5.03 121.76 119.17 1r6p s ALA 31 Ca 0.42 -1.01 0.20 0.00 0.00 0.00 0.00 51.96 51.57 1r6p s ALA 31 Cb 0.21 -1.80 0.48 0.00 0.00 0.00 0.00 23.12 22.02 1r6p s ALA 31 CO 0.40 0.54 1.14 -0.85 0.00 0.00 0.00 175.76 176.99 1r6p n GLU 32 N -0.52 1.71 0.00 0.00 0.28 -1.26 -4.81 120.64 116.03 1r6p n GLU 32 Ca -0.07 -3.33 0.00 0.00 -0.16 0.00 0.00 57.16 53.61 1r6p n GLU 32 Cb 0.54 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 -0.44 4.53 0.00 -1.84 9.92 -1.26 -5.05 116.55 122.41 1r6p n ASP 33 Ca 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1r6p n ASP 33 Cb 0.89 0.35 0.00 0.00 -0.64 0.00 0.00 41.12 41.72 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r6p n GLY 34 N 3.03 1.02 3.63 0.44 0.00 -1.26 -5.13 105.19 106.91 1r6p n GLY 34 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.49 2.00 -0.42 0.00 -5.25 0.40 -4.75 121.20 113.67 1r6p s ILE 36 Ca -0.01 -0.11 -0.21 0.00 -0.99 0.00 0.00 60.65 59.33 1r6p s ILE 36 Cb -0.05 -2.89 0.02 0.00 2.95 0.00 0.00 42.46 42.49 1r6p s ILE 36 CO -0.02 0.00 0.65 -0.55 -1.79 0.00 0.00 174.94 173.23 1r6p s SER 37 N -4.93 6.35 0.29 4.36 0.15 -1.26 -1.59 113.70 117.07 1r6p s SER 37 Ca 0.75 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 57.17 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 0.52 -0.75 1.88 0.71 1.20 0.00 0.00 173.24 176.81 1r6p h THR 38 N 5.84 1.02 0.00 6.45 1.35 -1.80 0.15 112.91 125.92 1r6p h THR 38 Ca -0.26 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 1r6p h THR 38 Cb 1.10 -0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1r6p h THR 38 CO 0.88 0.19 -0.03 0.07 -0.25 0.00 0.00 175.52 176.38 1r6p h LYS 39 N 1.04 0.00 -0.63 4.72 2.10 -1.92 0.55 116.57 122.43 1r6p h LYS 39 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1r6p h LYS 39 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1r6p h LYS 39 CO -0.19 0.03 0.00 0.39 -2.00 0.00 0.00 179.45 177.68 1r6p n GLU 40 N -4.38 4.17 0.26 0.07 -0.58 0.46 -4.41 120.64 116.23 1r6p n GLU 40 Ca -0.03 -2.88 0.11 0.00 -0.42 0.00 0.00 57.16 53.94 1r6p n GLU 40 Cb 0.12 -2.05 0.71 0.00 -0.57 0.00 0.00 31.44 29.64 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 3.89 0.00 -1.97 -4.62 5.85 -0.10 -1.47 115.31 116.90 1r6p h LEU 41 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1r6p h LEU 41 Cb 1.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1r6p h LEU 41 CO 0.35 0.10 0.00 1.23 -0.34 0.00 0.00 178.44 179.77 1r6p h GLY 42 N 0.46 0.00 1.60 3.75 0.00 -1.79 0.77 103.07 107.87 1r6p h GLY 42 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1r6p h GLY 42 CO 0.01 0.00 -1.27 0.50 0.00 0.00 0.00 176.54 175.78 1r6p h LYS 43 N 0.00 0.07 0.05 4.80 1.57 -1.61 -3.18 116.57 118.26 1r6p h LYS 43 Ca 0.00 -0.11 -0.36 0.00 -1.87 0.00 0.00 60.65 58.31 1r6p h LYS 43 Cb 0.16 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1r6p h LYS 43 CO 0.00 0.92 -2.09 1.55 -0.57 0.00 0.00 179.45 179.26 1r6p n VAL 44 N -3.31 1.63 -0.27 0.50 3.14 -0.68 -4.17 118.33 115.17 1r6p n VAL 44 Ca -0.07 -0.69 0.05 0.00 -2.96 0.00 0.00 64.34 60.66 1r6p n VAL 44 Cb 0.99 -1.35 0.27 0.00 -1.06 0.00 0.00 33.84 32.70 1r6p n VAL 44 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1r6p h MET 45 N 0.03 0.92 -0.38 1.45 -1.53 0.38 0.01 114.93 115.81 1r6p h MET 45 Ca -0.44 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 55.75 1r6p h MET 45 Cb 2.03 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 32.85 1r6p h MET 45 CO 0.04 0.61 0.18 0.07 0.14 0.00 0.00 176.91 177.95 1r6p h ARG 46 N 0.95 0.52 -0.12 0.39 0.11 -1.17 -0.39 114.38 114.67 1r6p h ARG 46 Ca 0.36 -0.06 -0.11 0.00 0.10 0.00 0.00 59.98 60.28 1r6p h ARG 46 Cb 0.21 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1r6p h ARG 46 CO -0.13 0.41 -0.40 0.52 0.10 0.00 0.00 179.97 180.47 1r6p h MET 47 N 0.52 0.26 -0.15 0.08 2.86 -1.18 -2.63 114.93 114.70 1r6p h MET 47 Ca 0.13 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 1r6p h MET 47 Cb 0.06 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1r6p h MET 47 CO -0.02 0.62 -0.42 -0.07 1.06 0.00 0.00 176.91 178.08 1r6p h LEU 48 N 0.22 0.36 0.00 1.22 4.07 -0.50 -3.47 115.31 117.21 1r6p h LEU 48 Ca 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1r6p h LEU 48 Cb 0.81 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1r6p h LEU 48 CO 0.06 0.75 0.00 0.61 -1.08 0.00 0.00 178.44 178.78 1r6p n GLY 49 N -0.09 -0.16 3.09 0.83 0.00 -0.55 -5.11 105.19 103.19 1r6p n GLY 49 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 1.92 -0.55 1.61 1.11 -0.55 -4.97 119.66 118.23 1r6p s GLN 50 Ca 0.00 -0.54 0.06 0.00 0.01 0.00 0.00 55.36 54.88 1r6p s GLN 50 Cb 0.00 -1.58 0.20 0.00 -1.01 0.00 0.00 33.01 30.63 1r6p s GLN 50 CO 0.00 0.12 0.52 0.27 0.01 0.00 0.00 175.29 176.21 1r6p n ASN 51 N 3.55 1.67 -2.46 5.90 0.23 -1.26 -1.30 115.26 121.58 1r6p n ASN 51 Ca -0.21 -2.93 0.00 0.00 -0.53 0.00 0.00 54.58 50.91 1r6p n ASN 51 Cb 0.52 -0.66 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 1.84 1.51 -3.06 -0.53 -0.04 -1.26 -5.06 135.00 128.40 1r6p n PRO 52 Ca 0.25 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 1r6p n PRO 52 Cb 0.43 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 0.38 2.83 0.20 0.52 -4.23 -1.26 -4.94 115.64 109.14 1r6p s THR 53 Ca 0.00 -1.03 0.19 0.00 -1.18 0.00 0.00 61.69 59.67 1r6p s THR 53 Cb 0.00 -2.86 0.14 0.00 1.34 0.00 0.00 72.50 71.13 1r6p s THR 53 CO 0.00 0.00 1.77 1.55 -0.54 0.00 0.00 174.62 177.40 1r6p h PRO 54 N 0.60 0.00 0.17 3.99 0.13 -1.98 -0.39 132.00 134.53 1r6p h PRO 54 Ca -0.38 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.44 1r6p h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1r6p h PRO 54 CO 0.45 0.35 -1.40 0.93 -0.23 0.00 0.00 178.00 178.11 1r6p h GLU 55 N 0.00 0.37 -0.25 0.86 4.39 -1.99 -2.55 114.58 115.41 1r6p h GLU 55 Ca -0.00 -0.63 -0.18 0.00 0.34 0.00 0.00 59.36 58.89 1r6p h GLU 55 Cb 0.83 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1r6p h GLU 55 CO 0.05 1.29 -0.54 0.93 -1.16 0.00 0.00 179.01 179.57 1r6p h GLU 56 N 0.10 0.80 0.00 2.33 5.08 -1.92 -3.15 114.58 117.82 1r6p h GLU 56 Ca -0.21 -0.53 -0.07 0.00 -1.00 0.00 0.00 59.36 57.55 1r6p h GLU 56 Cb 2.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.37 1r6p h GLU 56 CO 0.22 1.16 -0.34 1.37 -1.00 0.00 0.00 179.01 180.42 1r6p h LEU 57 N 0.55 0.00 0.20 1.33 8.10 -1.18 -3.29 115.31 121.02 1r6p h LEU 57 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1r6p h LEU 57 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.36 1r6p h LEU 57 CO 0.12 0.34 -0.15 1.56 -4.11 0.00 0.00 178.44 176.20 1r6p h GLN 58 N 0.00 -0.34 -0.38 0.17 1.08 -1.41 -1.09 115.11 113.15 1r6p h GLN 58 Ca -0.00 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1r6p h GLN 58 Cb 1.00 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1r6p h GLN 58 CO 0.04 -0.22 0.25 1.05 -0.95 0.00 0.00 178.83 179.00 1r6p h GLU 59 N -0.35 0.37 -0.52 1.46 4.11 -1.63 0.34 114.58 118.36 1r6p h GLU 59 Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.31 1r6p h GLU 59 Cb 0.31 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1r6p h GLU 59 CO -0.00 0.24 -0.01 0.52 0.07 0.00 0.00 179.01 179.82 1r6p h MET 60 N 0.38 0.93 -0.08 1.06 2.86 -1.50 -2.51 114.93 116.06 1r6p h MET 60 Ca 0.16 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1r6p h MET 60 Cb 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1r6p h MET 60 CO -0.04 0.96 0.01 0.82 1.06 0.00 0.00 176.91 179.72 1r6p h ILE 61 N 0.80 1.23 -0.94 -1.22 2.04 -0.00 -1.93 117.51 117.49 1r6p h ILE 61 Ca 0.15 -0.72 0.23 0.00 1.00 0.00 0.00 64.86 65.52 1r6p h ILE 61 Cb 0.55 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 1r6p h ILE 61 CO 0.03 0.20 0.63 0.44 0.00 0.00 0.00 178.15 179.45 1r6p h ASP 62 N -0.12 0.30 0.12 1.72 3.32 -0.88 0.91 116.42 121.79 1r6p h ASP 62 Ca 0.02 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1r6p h ASP 62 Cb 0.31 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1r6p h ASP 62 CO 0.00 0.10 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.24 1r6p h GLU 63 N 0.29 -0.16 -0.40 3.56 5.08 -1.16 -3.34 114.58 118.45 1r6p h GLU 63 Ca 0.49 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.77 1r6p h GLU 63 Cb 1.40 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1r6p h GLU 63 CO -0.15 0.24 -0.09 -0.24 -1.00 0.00 0.00 179.01 177.78 1r6p h VAL 64 N -0.95 1.25 -2.29 3.13 3.04 -0.78 -3.39 116.25 116.26 1r6p h VAL 64 Ca -0.02 -1.08 -0.53 0.00 -1.01 0.00 0.00 66.70 64.06 1r6p h VAL 64 Cb 0.48 1.04 -0.07 0.00 -2.01 0.00 0.00 31.29 30.72 1r6p h VAL 64 CO 0.03 0.37 1.11 -0.62 -1.01 0.00 0.00 177.57 177.44 1r6p s ASP 65 N -6.71 6.01 0.15 3.17 -1.08 0.31 -4.86 116.67 113.66 1r6p s ASP 65 Ca -0.09 -0.32 -0.16 0.00 -0.52 0.00 0.00 52.55 51.46 1r6p s ASP 65 Cb 0.14 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 39.06 1r6p s ASP 65 CO 0.80 -1.93 1.82 -0.33 0.52 0.00 0.00 175.17 176.05 1r6p h GLU 66 N 10.84 0.54 0.21 4.34 5.08 -1.82 -3.03 114.58 130.73 1r6p h GLU 66 Ca -0.28 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 57.73 1r6p h GLU 66 Cb 1.07 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 30.23 1r6p h GLU 66 CO 1.27 0.36 -1.39 0.38 -1.00 0.00 0.00 179.01 178.63 1r6p h ASP 67 N 0.55 0.76 -2.80 1.42 2.03 -1.93 -3.49 116.42 112.97 1r6p h ASP 67 Ca 0.15 -0.79 -0.09 0.00 -0.73 0.00 0.00 57.03 55.57 1r6p h ASP 67 Cb -0.06 -0.25 0.04 0.00 -0.83 0.00 0.00 39.33 38.24 1r6p h ASP 67 CO -0.03 1.61 -0.20 0.61 -1.03 0.00 0.00 179.24 180.20 1r6p n GLY 68 N 1.62 0.31 0.32 7.15 0.00 -1.15 -4.95 105.19 108.49 1r6p n GLY 68 Ca -0.14 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.12 0.97 -0.27 1.61 3.41 -1.26 -4.89 113.62 112.07 1r6p n SER 69 Ca -0.06 -1.46 -0.03 0.00 -0.26 0.00 0.00 58.87 57.06 1r6p n SER 69 Cb 0.54 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 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 1.05 0.57 3.00 5.00 0.00 -1.26 -5.02 105.19 108.53 1r6p n GLY 70 Ca 0.18 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.13 -0.10 -0.32 2.61 -4.23 -1.26 -2.36 115.64 107.85 1r6p s THR 71 Ca 0.00 0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.46 1r6p s THR 71 Cb 0.00 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.50 1r6p s THR 71 CO 0.00 0.08 0.79 -0.69 -0.54 0.00 0.00 174.62 174.26 1r6p s VAL 72 N 1.43 4.77 0.77 2.29 1.01 -0.62 -4.78 120.40 125.27 1r6p s VAL 72 Ca -0.07 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 1r6p s VAL 72 Cb -0.11 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.16 1r6p s VAL 72 CO -0.08 -0.30 1.13 -1.81 0.00 0.00 0.00 175.10 174.04 1r6p s ASP 73 N 1.68 4.76 0.34 3.32 1.11 -1.26 -0.46 116.67 126.16 1r6p s ASP 73 Ca 0.32 0.79 0.02 0.00 0.18 0.00 0.00 52.55 53.86 1r6p s ASP 73 Cb -0.14 -1.38 0.61 0.00 1.07 0.00 0.00 42.92 43.08 1r6p s ASP 73 CO 0.14 -1.73 1.99 0.15 1.18 0.00 0.00 175.17 176.89 1r6p h PHE 74 N -0.88 0.86 -0.52 4.23 3.57 -1.97 0.77 116.94 123.00 1r6p h PHE 74 Ca -0.46 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 1r6p h PHE 74 Cb 1.31 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1r6p h PHE 74 CO 0.35 0.52 0.05 0.22 -2.23 0.00 0.00 178.31 177.22 1r6p h ASP 75 N 0.91 0.86 1.27 0.41 1.82 -1.94 -1.78 116.42 117.97 1r6p h ASP 75 Ca 0.27 -0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1r6p h ASP 75 Cb -0.02 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 1r6p h ASP 75 CO -0.07 0.93 -0.27 -0.33 -1.61 0.00 0.00 179.24 177.89 1r6p h GLU 76 N 0.76 0.00 0.27 0.28 5.08 -1.64 -2.40 114.58 116.93 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 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1r6p h GLU 76 CO 0.02 0.27 -0.13 0.35 -1.00 0.00 0.00 179.01 178.51 1r6p h PHE 77 N 0.00 -0.34 -0.18 4.33 3.57 0.95 -1.53 116.94 123.74 1r6p h PHE 77 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1r6p h PHE 77 Cb 0.97 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1r6p h PHE 77 CO 0.00 0.02 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.83 1r6p h LEU 78 N -0.81 0.30 -0.03 0.59 4.07 -1.40 -2.91 115.31 115.12 1r6p h LEU 78 Ca -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 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 0.06 0.52 0.01 0.58 -1.08 0.00 0.00 178.44 178.54 1r6p h VAL 79 N 0.29 1.12 -1.22 1.22 2.07 -1.43 -2.52 116.25 115.78 1r6p h VAL 79 Ca 0.05 -0.35 0.35 0.00 0.82 0.00 0.00 66.70 67.57 1r6p h VAL 79 Cb 0.53 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1r6p h VAL 79 CO 0.04 0.10 0.86 -0.03 0.02 0.00 0.00 177.57 178.55 1r6p h MET 80 N -0.09 0.07 0.43 1.57 -1.53 -1.07 0.78 114.93 115.10 1r6p h MET 80 Ca 0.01 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1r6p h MET 80 Cb 0.14 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.18 1r6p h MET 80 CO -0.00 0.05 -0.21 1.98 0.14 0.00 0.00 176.91 178.87 1r6p h MET 81 N 0.08 -0.56 0.00 0.39 -1.53 -1.46 -2.80 114.93 109.05 1r6p h MET 81 Ca 0.61 0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.85 1r6p h MET 81 Cb 2.24 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 33.41 1r6p h MET 81 CO -0.08 -0.28 -0.26 -0.39 0.14 0.00 0.00 176.91 176.05 1r6p h VAL 82 N -0.80 0.92 -0.41 -5.77 -1.51 -1.13 -2.23 116.25 105.32 1r6p h VAL 82 Ca -0.06 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.43 1r6p h VAL 82 Cb 0.55 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 1r6p h VAL 82 CO 0.10 0.25 0.23 0.03 -1.23 0.00 0.00 177.57 176.95 1r6p h ARG 83 N 0.00 0.56 0.11 5.19 3.08 -0.78 0.59 114.38 123.12 1r6p h ARG 83 Ca -0.00 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 1r6p h ARG 83 Cb 0.55 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1r6p h ARG 83 CO 0.03 0.41 -1.07 0.00 -1.07 0.00 0.00 179.97 178.27 1r6p h MET 85 N -0.44 0.71 -2.68 0.00 1.85 -1.24 -3.49 114.93 109.64 1r6p h MET 85 Ca -0.23 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 1r6p h MET 85 Cb 1.62 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.56 1r6p h MET 85 CO 0.06 0.72 -0.27 1.17 -0.40 0.00 0.00 176.91 178.20 1r6p n LYS 86 N -4.23 -1.45 0.15 0.39 3.00 0.20 -4.92 118.16 111.29 1r6p n LYS 86 Ca 0.02 1.41 0.02 0.00 -0.00 0.00 0.00 58.31 59.76 1r6p n LYS 86 Cb 0.28 -1.63 0.16 0.00 0.00 0.00 0.00 35.03 33.84 1r6p n LYS 86 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1r6p h ASP 87 N 1.18 0.00 -0.56 3.14 3.32 -1.92 -3.38 116.42 118.20 1r6p h ASP 87 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1r6p h ASP 87 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1r6p h ASP 87 CO 0.00 0.55 2.50 -0.67 -1.72 0.00 0.00 179.24 179.90 1r6p n ASP 88 N -3.47 4.54 0.00 6.45 -0.08 -1.26 -5.08 116.55 117.65 1r6p n ASP 88 Ca 0.00 -2.89 0.08 0.00 -1.51 0.00 0.00 54.79 50.48 1r6p n ASP 88 Cb 0.65 -1.71 0.50 0.00 2.34 0.00 0.00 41.12 42.90 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12