#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 1.08 -1.03 6.12 4.13 -1.26 -4.88 115.26 119.41 1r6p n ASN 2 Ca 0.00 -3.03 0.08 0.00 1.68 0.00 0.00 54.58 53.31 1r6p n ASN 2 Cb 0.00 -0.62 0.26 0.00 -1.54 0.00 0.00 39.78 37.89 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1r6p n ASP 3 N 0.38 3.99 0.09 6.41 8.00 -1.26 -4.51 116.55 129.64 1r6p n ASP 3 Ca 0.25 -2.71 -0.08 0.00 0.71 0.00 0.00 54.79 52.96 1r6p n ASP 3 Cb 0.62 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r6p h ILE 4 N 2.38 1.54 -0.10 0.53 -0.00 -2.02 -3.18 117.51 116.66 1r6p h ILE 4 Ca 0.00 -2.77 -0.11 0.00 -0.00 0.00 0.00 64.86 61.99 1r6p h ILE 4 Cb 1.35 2.55 -0.01 0.00 -0.00 0.00 0.00 36.82 40.70 1r6p h ILE 4 CO 0.20 0.80 -0.43 1.88 -0.00 0.00 0.00 178.15 180.60 1r6p h TYR 5 N 0.07 0.26 0.00 0.16 0.05 -1.99 -2.63 116.97 112.89 1r6p h TYR 5 Ca -0.04 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 1r6p h TYR 5 Cb 1.55 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 39.23 1r6p h TYR 5 CO 0.02 0.62 -0.12 -0.22 -1.05 0.00 0.00 178.16 177.41 1r6p h LYS 6 N 0.18 0.00 -0.18 4.88 1.63 -1.85 -2.75 116.57 118.49 1r6p h LYS 6 Ca 0.01 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 1r6p h LYS 6 Cb 0.84 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1r6p h LYS 6 CO 0.07 0.12 -0.43 0.00 -3.45 0.00 0.00 179.45 175.76 1r6p h ALA 7 N 1.88 0.92 -0.11 5.00 0.00 -1.49 -1.85 119.26 123.62 1r6p h ALA 7 Ca -0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1r6p h ALA 7 Cb 0.54 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1r6p h ALA 7 CO 0.02 0.64 -0.53 0.00 0.00 0.00 0.00 179.25 179.37 1r6p h ALA 8 N 1.19 0.21 0.00 0.00 0.00 -1.56 -2.91 119.26 116.19 1r6p h ALA 8 Ca 0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1r6p h ALA 8 Cb 0.90 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1r6p h ALA 8 CO 0.08 0.41 -0.01 -0.24 0.00 0.00 0.00 179.25 179.48 1r6p h VAL 9 N 0.15 0.04 0.00 0.00 3.04 -1.50 0.19 116.25 118.17 1r6p h VAL 9 Ca -0.04 -0.45 -0.05 0.00 -1.01 0.00 0.00 66.70 65.16 1r6p h VAL 9 Cb 1.17 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 1r6p h VAL 9 CO 0.11 0.01 -0.38 -0.33 -1.01 0.00 0.00 177.57 175.97 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.39 -1.24 -3.34 114.58 118.57 1r6p h GLU 10 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1r6p h GLU 10 Cb 0.43 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.88 1r6p h GLU 10 CO 0.00 0.18 -0.78 0.00 -1.16 0.00 0.00 179.01 177.25 1r6p n GLN 11 N -3.08 0.74 -0.74 2.33 10.64 -0.86 -5.09 117.38 121.32 1r6p n GLN 11 Ca 0.02 -2.60 -0.31 0.00 -1.83 0.00 0.00 57.00 52.28 1r6p n GLN 11 Cb 0.62 -0.76 0.27 0.00 -0.86 0.00 0.00 30.24 29.51 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 -1.51 -0.30 0.50 2.61 0.05 0.62 -5.00 118.68 115.64 1r6p s LEU 12 Ca 0.36 0.64 0.08 0.00 0.05 0.00 0.00 54.13 55.26 1r6p s LEU 12 Cb 0.38 -2.16 0.04 0.00 -2.05 0.00 0.00 46.19 42.40 1r6p s LEU 12 CO -0.12 -4.86 0.62 0.42 -0.55 0.00 0.00 176.35 171.86 1r6p s THR 13 N -2.67 2.43 0.27 5.48 -4.23 -1.26 -5.02 115.64 110.64 1r6p s THR 13 Ca 0.71 -1.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.19 1r6p s THR 13 Cb -0.10 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1r6p s THR 13 CO 0.56 0.00 1.62 0.44 -0.54 0.00 0.00 174.62 176.70 1r6p h ASP 14 N 0.51 0.11 -0.44 3.99 3.32 -1.99 -2.88 116.42 119.03 1r6p h ASP 14 Ca -0.35 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.64 1r6p h ASP 14 Cb 1.28 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1r6p h ASP 14 CO 0.46 0.66 0.29 1.05 -1.72 0.00 0.00 179.24 179.99 1r6p h GLU 15 N 0.07 0.58 -0.25 3.56 4.11 -1.98 -1.44 114.58 119.22 1r6p h GLU 15 Ca -0.00 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.25 1r6p h GLU 15 Cb 1.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1r6p h GLU 15 CO 0.08 0.38 -0.42 1.96 0.07 0.00 0.00 179.01 181.09 1r6p h GLN 16 N 0.59 0.61 0.00 1.06 4.20 -1.91 0.59 115.11 120.24 1r6p h GLN 16 Ca 0.16 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1r6p h GLN 16 Cb -0.05 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1r6p h GLN 16 CO -0.04 0.91 0.00 1.63 -0.67 0.00 0.00 178.83 180.66 1r6p n LYS 17 N -4.03 0.22 0.00 1.46 4.76 -0.59 -3.31 118.16 116.67 1r6p n LYS 17 Ca -0.02 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1r6p n LYS 17 Cb 0.53 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1r6p n LYS 17 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1r6p n ASN 18 N -1.35 4.87 0.13 4.39 3.02 -0.94 -4.13 115.26 121.25 1r6p n ASN 18 Ca 0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.50 1r6p n ASN 18 Cb 0.20 0.49 -0.08 0.00 -0.61 0.00 0.00 39.78 39.77 1r6p n ASN 18 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1r6p h GLU 19 N 0.00 -0.29 0.10 3.52 4.81 0.12 -2.11 114.58 120.72 1r6p h GLU 19 Ca 0.00 0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 1r6p h GLU 19 Cb 0.97 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1r6p h GLU 19 CO 0.00 -0.04 -1.37 0.74 -0.73 0.00 0.00 179.01 177.60 1r6p h PHE 20 N -0.51 0.38 -0.30 0.92 -1.00 -1.78 -3.32 116.94 111.34 1r6p h PHE 20 Ca -0.03 -0.27 0.01 0.00 2.81 0.00 0.00 57.97 60.49 1r6p h PHE 20 Cb 0.38 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1r6p h PHE 20 CO -0.00 1.27 0.20 -0.22 -1.61 0.00 0.00 178.31 177.95 1r6p h LYS 21 N 0.06 0.36 0.39 1.51 3.11 -1.71 0.39 116.57 120.67 1r6p h LYS 21 Ca -0.18 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.63 1r6p h LYS 21 Cb 1.97 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 33.12 1r6p h LYS 21 CO 0.17 0.24 -0.22 0.00 -2.81 0.00 0.00 179.45 176.83 1r6p h ALA 22 N 1.82 -0.56 -0.36 5.00 0.00 -1.47 0.41 119.26 124.10 1r6p h ALA 22 Ca 0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1r6p h ALA 22 Cb 0.01 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r6p h ALA 22 CO -0.02 -0.82 -0.28 0.00 0.00 0.00 0.00 179.25 178.12 1r6p h ALA 23 N 0.03 0.85 -0.51 0.00 0.00 -1.60 -2.81 119.26 115.20 1r6p h ALA 23 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1r6p h ALA 23 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1r6p h ALA 23 CO 0.07 0.64 0.33 0.35 0.00 0.00 0.00 179.25 180.63 1r6p h PHE 24 N 0.64 0.63 -0.53 0.00 3.04 0.06 0.12 116.94 120.90 1r6p h PHE 24 Ca 0.08 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.95 1r6p h PHE 24 Cb 0.79 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 1r6p h PHE 24 CO 0.04 0.39 -0.04 0.22 -2.02 0.00 0.00 178.31 176.90 1r6p h ASP 25 N 0.67 0.92 0.34 0.41 1.82 -0.09 -0.62 116.42 119.87 1r6p h ASP 25 Ca 0.19 -0.26 -0.22 0.00 -0.39 0.00 0.00 57.03 56.36 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 -0.06 0.99 -0.90 0.16 -1.61 0.00 0.00 179.24 177.83 1r6p h ILE 26 N 0.85 1.41 0.02 2.25 3.07 -1.27 -1.51 117.51 122.33 1r6p h ILE 26 Ca 0.15 -2.41 -0.22 0.00 1.55 0.00 0.00 64.86 63.94 1r6p h ILE 26 Cb 0.55 2.37 -0.01 0.00 -0.27 0.00 0.00 36.82 39.46 1r6p h ILE 26 CO 0.03 0.72 -0.95 -0.26 -1.05 0.00 0.00 178.15 176.64 1r6p h PHE 27 N 0.23 0.39 -0.48 0.16 0.04 -0.91 -3.17 116.94 113.19 1r6p h PHE 27 Ca -0.07 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1r6p h PHE 27 Cb 1.52 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.63 1r6p h PHE 27 CO 0.05 1.06 0.00 0.44 -0.60 0.00 0.00 178.31 179.27 1r6p n ILE 28 N -3.65 0.63 -0.35 -0.55 -6.64 -0.25 -4.44 119.36 104.12 1r6p n ILE 28 Ca -0.05 -0.72 0.17 0.00 -1.77 0.00 0.00 62.75 60.38 1r6p n ILE 28 Cb 0.85 0.56 0.38 0.00 -1.44 0.00 0.00 39.64 39.98 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 3.59 0.59 -0.53 6.28 4.15 -1.24 0.22 115.11 128.17 1r6p h GLN 29 Ca 0.00 -0.04 -0.21 0.00 0.77 0.00 0.00 58.65 59.18 1r6p h GLN 29 Cb 0.81 -0.13 -0.12 0.00 0.21 0.00 0.00 27.48 28.24 1r6p h GLN 29 CO 0.00 0.39 0.14 -0.25 -1.93 0.00 0.00 178.83 177.18 1r6p n ASP 30 N -4.86 3.53 -4.96 -0.69 9.92 -1.26 -5.00 116.55 113.23 1r6p n ASP 30 Ca 0.26 -3.46 -0.23 0.00 -0.53 0.00 0.00 54.79 50.84 1r6p n ASP 30 Cb 0.72 -0.68 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 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 -3.11 3.93 -0.25 2.24 0.00 0.79 -5.04 121.76 120.32 1r6p s ALA 31 Ca 0.49 -1.14 0.16 0.00 0.00 0.00 0.00 51.96 51.46 1r6p s ALA 31 Cb 0.41 -1.77 0.48 0.00 0.00 0.00 0.00 23.12 22.24 1r6p s ALA 31 CO 0.07 0.33 1.15 -0.85 0.00 0.00 0.00 175.76 176.46 1r6p n GLU 32 N -1.14 2.38 0.00 0.00 0.00 -1.26 -4.81 120.64 115.82 1r6p n GLU 32 Ca -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 57.16 53.41 1r6p n GLU 32 Cb 0.56 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1r6p n ASP 33 N -0.60 0.00 0.00 -1.84 2.03 -1.26 -5.08 116.55 109.80 1r6p n ASP 33 Ca 0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1r6p n ASP 33 Cb 0.89 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.29 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 1.49 0.91 3.52 0.27 0.00 -1.26 -5.14 105.19 104.97 1r6p n GLY 34 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.33 2.38 -0.45 0.00 -5.25 -0.14 -4.77 121.20 111.64 1r6p s ILE 36 Ca -0.10 -0.42 -0.21 0.00 -0.99 0.00 0.00 60.65 58.93 1r6p s ILE 36 Cb -0.00 -2.96 0.03 0.00 2.95 0.00 0.00 42.46 42.48 1r6p s ILE 36 CO 0.09 0.00 0.69 -0.55 -1.79 0.00 0.00 174.94 173.38 1r6p s SER 37 N -4.52 6.34 0.28 4.36 0.15 -1.26 -1.90 113.70 117.14 1r6p s SER 37 Ca 0.60 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.93 1r6p s SER 37 Cb -0.10 -2.34 0.61 0.00 -1.71 0.00 0.00 66.02 62.48 1r6p s SER 37 CO 0.43 -0.85 1.77 0.71 1.20 0.00 0.00 173.24 176.49 1r6p h THR 38 N 5.91 0.72 0.00 6.45 1.35 -1.89 0.30 112.91 125.75 1r6p h THR 38 Ca -0.25 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.35 1r6p h THR 38 Cb 1.09 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1r6p h THR 38 CO 0.93 0.12 -0.10 0.07 -0.25 0.00 0.00 175.52 176.29 1r6p h LYS 39 N 0.67 0.00 -0.62 4.72 5.09 -1.92 -1.48 116.57 123.04 1r6p h LYS 39 Ca 0.51 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 60.96 1r6p h LYS 39 Cb 0.74 0.00 -0.17 0.00 0.10 0.00 0.00 32.23 32.90 1r6p h LYS 39 CO -0.37 0.10 0.22 0.39 -2.09 0.00 0.00 179.45 177.70 1r6p n GLU 40 N -4.26 2.34 0.25 0.07 -0.58 0.96 -4.57 120.64 114.86 1r6p n GLU 40 Ca -0.03 -3.09 0.16 0.00 -0.42 0.00 0.00 57.16 53.79 1r6p n GLU 40 Cb 0.18 -2.00 0.65 0.00 -0.57 0.00 0.00 31.44 29.70 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 1.31 0.00 -1.73 -4.62 6.46 -0.14 -3.02 115.31 113.57 1r6p h LEU 41 Ca 0.35 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 58.25 1r6p h LEU 41 Cb 2.15 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 42.04 1r6p h LEU 41 CO 0.67 0.00 0.45 1.23 -0.62 0.00 0.00 178.44 180.16 1r6p h GLY 42 N 2.12 0.44 2.00 3.75 0.00 -1.81 0.34 103.07 109.91 1r6p h GLY 42 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1r6p h GLY 42 CO 0.00 0.05 -0.10 0.50 0.00 0.00 0.00 176.54 176.99 1r6p h LYS 43 N 0.27 0.00 0.02 4.80 1.79 -1.92 -2.88 116.57 118.66 1r6p h LYS 43 Ca 0.32 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.45 1r6p h LYS 43 Cb 0.87 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.47 1r6p h LYS 43 CO -0.07 0.10 -2.02 1.33 -1.08 0.00 0.00 179.45 177.71 1r6p n VAL 44 N -3.24 1.58 -0.25 0.50 0.24 0.98 -4.19 118.33 113.95 1r6p n VAL 44 Ca 0.00 -0.76 0.01 0.00 -2.04 0.00 0.00 64.34 61.55 1r6p n VAL 44 Cb 0.35 -1.07 0.23 0.00 -1.47 0.00 0.00 33.84 31.88 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 0.01 1.02 -0.50 7.34 2.86 -0.77 -1.25 114.93 123.64 1r6p h MET 45 Ca -0.41 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1r6p h MET 45 Cb 2.07 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 33.47 1r6p h MET 45 CO 0.05 0.68 0.34 0.07 1.06 0.00 0.00 176.91 179.10 1r6p h ARG 46 N 1.05 0.54 -0.01 1.72 0.11 -0.75 0.28 114.38 117.33 1r6p h ARG 46 Ca 0.31 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 60.22 1r6p h ARG 46 Cb -0.06 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 30.88 1r6p h ARG 46 CO -0.08 0.36 -0.62 0.52 0.10 0.00 0.00 179.97 180.25 1r6p h MET 47 N 0.56 0.03 -0.03 0.08 2.86 -1.42 -2.97 114.93 114.03 1r6p h MET 47 Ca 0.20 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.68 1r6p h MET 47 Cb 0.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1r6p h MET 47 CO -0.05 0.64 -0.64 -0.07 1.06 0.00 0.00 176.91 177.85 1r6p h LEU 48 N 0.02 0.14 0.00 1.22 4.07 -0.57 -3.47 115.31 116.73 1r6p h LEU 48 Ca -0.01 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1r6p h LEU 48 Cb 1.09 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1r6p h LEU 48 CO 0.08 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 178.79 1r6p n GLY 49 N 0.33 0.62 3.79 0.83 0.00 -0.42 -5.11 105.19 105.22 1r6p n GLY 49 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 1.97 -0.36 1.61 0.00 -0.68 -5.00 119.66 117.21 1r6p s GLN 50 Ca 0.00 -1.26 0.04 0.00 -0.00 0.00 0.00 55.36 54.14 1r6p s GLN 50 Cb 0.00 0.60 0.16 0.00 0.00 0.00 0.00 33.01 33.77 1r6p s GLN 50 CO 0.00 -0.90 0.43 1.21 0.00 0.00 0.00 175.29 176.03 1r6p s ASN 51 N -3.01 0.46 0.00 12.60 2.47 -1.26 -0.79 114.94 125.40 1r6p s ASN 51 Ca 0.15 -1.13 0.00 0.00 0.42 0.00 0.00 52.86 52.30 1r6p s ASN 51 Cb -0.05 0.96 0.00 0.00 -1.45 0.00 0.00 41.25 40.72 1r6p s ASN 51 CO 0.10 -0.27 0.00 -0.81 -3.72 0.00 0.00 177.10 172.40 1r6p n PRO 52 N 4.56 1.52 -3.54 0.43 -0.04 -1.26 -5.07 135.00 131.59 1r6p n PRO 52 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1r6p n PRO 52 Cb 0.48 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.45 2.55 0.13 0.52 -4.23 -1.26 -4.95 115.64 108.85 1r6p s THR 53 Ca 0.00 -1.32 0.17 0.00 -1.18 0.00 0.00 61.69 59.36 1r6p s THR 53 Cb 0.00 -2.87 0.10 0.00 1.34 0.00 0.00 72.50 71.07 1r6p s THR 53 CO 0.00 0.00 1.66 1.55 -0.54 0.00 0.00 174.62 177.29 1r6p h PRO 54 N 0.94 0.00 0.12 3.99 0.13 -1.98 -0.38 132.00 134.82 1r6p h PRO 54 Ca -0.40 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.45 1r6p h PRO 54 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r6p h PRO 54 CO 0.56 0.44 -1.30 0.93 -0.23 0.00 0.00 178.00 178.40 1r6p h GLU 55 N 0.00 0.26 -0.00 0.86 4.39 -1.97 -2.67 114.58 115.45 1r6p h GLU 55 Ca -0.00 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1r6p h GLU 55 Cb 1.02 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1r6p h GLU 55 CO 0.06 1.19 -0.17 1.49 -1.16 0.00 0.00 179.01 180.42 1r6p h GLU 56 N 0.07 0.12 0.00 2.33 4.81 -1.94 -3.27 114.58 116.70 1r6p h GLU 56 Ca -0.15 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1r6p h GLU 56 Cb 1.98 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 1r6p h GLU 56 CO 0.19 0.87 -0.21 1.37 -0.73 0.00 0.00 179.01 180.50 1r6p h LEU 57 N -0.58 0.00 -1.19 1.64 8.10 -1.21 -2.69 115.31 119.39 1r6p h LEU 57 Ca -0.02 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.06 1r6p h LEU 57 Cb 0.92 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.08 1r6p h LEU 57 CO 0.03 0.21 0.58 1.56 -4.11 0.00 0.00 178.44 176.71 1r6p h GLN 58 N 0.00 0.89 -0.86 0.17 1.08 -1.52 0.09 115.11 114.96 1r6p h GLN 58 Ca -0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1r6p h GLN 58 Cb 0.41 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 1r6p h GLN 58 CO 0.03 0.59 0.45 0.93 -0.95 0.00 0.00 178.83 179.88 1r6p h GLU 59 N 0.92 1.21 -0.50 1.46 4.39 -1.58 -0.38 114.58 120.11 1r6p h GLU 59 Ca 0.41 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.86 1r6p h GLU 59 Cb 0.36 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1r6p h GLU 59 CO -0.17 0.90 -0.08 0.52 -1.16 0.00 0.00 179.01 179.02 1r6p h MET 60 N 1.21 0.89 0.20 2.33 2.86 -1.17 -2.25 114.93 118.99 1r6p h MET 60 Ca 0.30 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1r6p h MET 60 Cb 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1r6p h MET 60 CO -0.05 0.93 -0.09 0.82 1.06 0.00 0.00 176.91 179.58 1r6p h ILE 61 N 0.81 0.86 -0.52 -1.22 1.08 -0.38 -0.08 117.51 118.06 1r6p h ILE 61 Ca 0.14 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 1r6p h ILE 61 Cb 0.59 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1r6p h ILE 61 CO 0.04 0.06 0.35 -0.78 -0.69 0.00 0.00 178.15 177.13 1r6p h ASP 62 N -0.39 0.37 0.03 1.72 3.58 -1.02 0.57 116.42 121.29 1r6p h ASP 62 Ca -0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1r6p h ASP 62 Cb 0.30 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1r6p h ASP 62 CO 0.04 0.24 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.30 1r6p h GLU 63 N 0.43 -0.05 -0.21 0.28 4.39 -1.08 -3.34 114.58 115.00 1r6p h GLU 63 Ca 0.23 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.74 1r6p h GLU 63 Cb 0.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1r6p h GLU 63 CO -0.06 0.57 -0.64 -0.24 -1.16 0.00 0.00 179.01 177.49 1r6p h VAL 64 N -0.72 1.29 -2.82 3.13 3.04 -0.74 -3.41 116.25 116.02 1r6p h VAL 64 Ca -0.00 -1.86 -0.55 0.00 -1.01 0.00 0.00 66.70 63.27 1r6p h VAL 64 Cb 0.64 1.81 -0.05 0.00 -2.01 0.00 0.00 31.29 31.68 1r6p h VAL 64 CO 0.01 0.59 1.16 -0.62 -1.01 0.00 0.00 177.57 177.70 1r6p s ASP 65 N -7.00 6.03 0.22 3.17 -1.08 0.20 -4.86 116.67 113.34 1r6p s ASP 65 Ca -0.09 0.63 -0.02 0.00 -0.52 0.00 0.00 52.55 52.54 1r6p s ASP 65 Cb 0.10 -2.54 0.20 0.00 -1.46 0.00 0.00 42.92 39.22 1r6p s ASP 65 CO 0.88 -1.72 1.59 1.05 0.52 0.00 0.00 175.17 177.49 1r6p h GLU 66 N 11.81 0.61 0.10 4.34 4.11 -1.84 -3.24 114.58 130.48 1r6p h GLU 66 Ca -0.28 -0.30 -0.32 0.00 0.07 0.00 0.00 59.36 58.52 1r6p h GLU 66 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1r6p h GLU 66 CO 1.13 0.89 -1.69 0.38 0.07 0.00 0.00 179.01 179.79 1r6p h ASP 67 N 0.51 0.34 -2.83 3.06 2.03 -1.94 -3.49 116.42 114.11 1r6p h ASP 67 Ca 0.05 -0.58 -0.10 0.00 -0.73 0.00 0.00 57.03 55.67 1r6p h ASP 67 Cb 0.89 -0.11 0.05 0.00 -0.83 0.00 0.00 39.33 39.32 1r6p h ASP 67 CO 0.08 1.50 -0.21 0.61 -1.03 0.00 0.00 179.24 180.18 1r6p n GLY 68 N 1.74 0.32 0.04 7.15 0.00 -1.22 -4.95 105.19 108.26 1r6p n GLY 68 Ca -0.21 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.00 0.28 0.00 1.61 3.41 -1.26 -4.91 113.62 111.75 1r6p n SER 69 Ca -0.05 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1r6p n SER 69 Cb 0.54 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.42 0.52 2.97 5.00 0.00 -1.26 -5.05 105.19 108.79 1r6p n GLY 70 Ca 0.09 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.29 2.61 -4.23 -1.26 -3.03 115.64 107.39 1r6p s THR 71 Ca 0.00 0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 1r6p s THR 71 Cb 0.00 -0.29 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 1r6p s THR 71 CO 0.00 0.07 0.65 -0.69 -0.54 0.00 0.00 174.62 174.10 1r6p s VAL 72 N 1.20 4.94 0.72 2.29 1.01 -0.80 -4.83 120.40 124.93 1r6p s VAL 72 Ca -0.09 0.97 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 1r6p s VAL 72 Cb -0.11 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.34 1r6p s VAL 72 CO -0.07 -0.10 1.04 -1.81 0.00 0.00 0.00 175.10 174.17 1r6p s ASP 73 N 1.58 4.82 0.42 3.32 1.01 -1.26 -0.96 116.67 125.60 1r6p s ASP 73 Ca 0.26 0.56 0.08 0.00 0.71 0.00 0.00 52.55 54.16 1r6p s ASP 73 Cb -0.15 -1.20 0.89 0.00 1.01 0.00 0.00 42.92 43.46 1r6p s ASP 73 CO 0.11 -1.62 2.06 0.15 0.21 0.00 0.00 175.17 176.08 1r6p h PHE 74 N -0.67 0.47 -0.33 4.23 3.57 -1.98 0.72 116.94 122.96 1r6p h PHE 74 Ca -0.45 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 1r6p h PHE 74 Cb 1.31 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1r6p h PHE 74 CO 0.34 0.30 -0.19 0.22 -2.23 0.00 0.00 178.31 176.76 1r6p h ASP 75 N 0.50 0.73 0.89 0.41 1.82 -1.96 -1.87 116.42 116.95 1r6p h ASP 75 Ca 0.13 -0.42 -0.08 0.00 -0.39 0.00 0.00 57.03 56.27 1r6p h ASP 75 Cb -0.04 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.76 1r6p h ASP 75 CO -0.03 0.99 -0.40 -0.33 -1.61 0.00 0.00 179.24 177.86 1r6p h GLU 76 N 0.47 0.00 0.10 0.28 5.08 -1.71 -1.71 114.58 117.09 1r6p h GLU 76 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1r6p h GLU 76 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1r6p h GLU 76 CO 0.05 0.40 -0.05 0.35 -1.00 0.00 0.00 179.01 178.77 1r6p h PHE 77 N 0.00 -0.12 -0.08 4.33 3.57 0.67 -1.80 116.94 123.50 1r6p h PHE 77 Ca -0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1r6p h PHE 77 Cb 0.96 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1r6p h PHE 77 CO 0.00 0.25 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.75 1r6p h LEU 78 N -0.52 0.24 -0.11 0.59 4.07 -1.36 -3.13 115.31 115.10 1r6p h LEU 78 Ca -0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1r6p h LEU 78 Cb 0.43 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1r6p h LEU 78 CO 0.02 0.71 0.06 0.58 -1.08 0.00 0.00 178.44 178.73 1r6p h VAL 79 N 0.18 1.09 -1.31 1.22 2.07 -1.29 -2.43 116.25 115.77 1r6p h VAL 79 Ca 0.01 -0.26 0.38 0.00 0.82 0.00 0.00 66.70 67.65 1r6p h VAL 79 Cb 0.96 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1r6p h VAL 79 CO 0.08 0.08 0.94 -0.03 0.02 0.00 0.00 177.57 178.66 1r6p h MET 80 N 0.08 0.03 0.00 1.57 -1.53 -1.26 0.36 114.93 114.18 1r6p h MET 80 Ca 0.04 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1r6p h MET 80 Cb 0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 1r6p h MET 80 CO -0.01 0.02 -0.00 1.98 0.14 0.00 0.00 176.91 179.04 1r6p h MET 81 N 0.03 -0.00 -0.17 0.39 -1.53 -1.53 -3.03 114.93 109.09 1r6p h MET 81 Ca 0.64 0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.81 1r6p h MET 81 Cb 2.48 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 33.52 1r6p h MET 81 CO -0.04 0.90 -0.27 -0.39 0.14 0.00 0.00 176.91 177.25 1r6p h VAL 82 N -0.96 1.26 -0.06 -5.77 -1.51 -0.92 -2.64 116.25 105.66 1r6p h VAL 82 Ca -0.00 -1.22 -0.12 0.00 -1.23 0.00 0.00 66.70 64.13 1r6p h VAL 82 Cb 0.91 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 1r6p h VAL 82 CO 0.00 0.37 -0.51 0.08 -1.23 0.00 0.00 177.57 176.29 1r6p h ARG 83 N 0.28 0.15 -0.28 5.19 0.11 -0.48 0.63 114.38 119.98 1r6p h ARG 83 Ca 0.04 -0.08 -0.13 0.00 0.10 0.00 0.00 59.98 59.90 1r6p h ARG 83 Cb 0.63 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 1r6p h ARG 83 CO 0.05 0.62 -0.37 0.00 0.10 0.00 0.00 179.97 180.37 1r6p h MET 85 N 0.54 0.00 -7.10 0.00 4.05 -1.31 -3.38 114.93 107.73 1r6p h MET 85 Ca 0.05 0.00 -0.47 0.00 -0.28 0.00 0.00 59.70 59.00 1r6p h MET 85 Cb 0.88 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.71 1r6p h MET 85 CO 0.08 0.10 0.38 0.21 0.23 0.00 0.00 176.91 177.91 1r6p s LYS 86 N -2.18 3.72 -1.11 0.39 2.36 0.22 -3.54 119.74 119.59 1r6p s LYS 86 Ca -0.14 1.31 0.00 0.00 -2.55 0.00 0.00 55.97 54.59 1r6p s LYS 86 Cb 0.02 -2.09 0.00 0.00 -1.05 0.00 0.00 37.83 34.72 1r6p s LYS 86 CO 0.23 -0.49 0.00 -3.47 1.55 0.00 0.00 175.35 173.17 1r6p n ASP 87 N -1.19 -4.05 0.00 1.43 2.03 -1.26 -4.18 116.55 109.33 1r6p n ASP 87 Ca 0.09 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1r6p n ASP 87 Cb 0.53 -3.21 0.00 0.00 -0.72 0.00 0.00 41.12 37.72 1r6p n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1r6p n ASP 88 N -0.42 0.00 0.00 1.67 8.00 -1.23 -5.04 116.55 119.53 1r6p n ASP 88 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1r6p n ASP 88 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57