#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p s ASN 2 N 0.00 -0.61 0.00 3.17 -0.87 -1.26 -5.03 114.94 110.35 1r6p s ASN 2 Ca 0.00 1.09 0.20 0.00 -1.57 0.00 0.00 52.86 52.57 1r6p s ASN 2 Cb 0.00 1.08 0.05 0.00 -0.02 0.00 0.00 41.25 42.36 1r6p s ASN 2 CO 0.00 -0.21 1.02 0.47 -2.57 0.00 0.00 177.10 175.81 1r6p n ASP 3 N 4.51 2.11 0.13 -1.22 8.00 -1.26 -4.39 116.55 124.44 1r6p n ASP 3 Ca -0.20 -1.56 -0.01 0.00 0.71 0.00 0.00 54.79 53.73 1r6p n ASP 3 Cb 0.55 0.32 0.21 0.00 -0.02 0.00 0.00 41.12 42.17 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 2.73 1.38 -0.33 0.53 -0.00 -1.98 0.11 117.51 119.95 1r6p h ILE 4 Ca 0.00 -1.84 -0.15 0.00 -0.00 0.00 0.00 64.86 62.87 1r6p h ILE 4 Cb 0.71 1.96 -0.01 0.00 -0.00 0.00 0.00 36.82 39.49 1r6p h ILE 4 CO 0.00 0.53 -0.41 1.88 -0.00 0.00 0.00 178.15 180.15 1r6p h TYR 5 N 0.06 0.98 0.00 0.16 0.05 -1.95 -3.01 116.97 113.26 1r6p h TYR 5 Ca -0.00 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1r6p h TYR 5 Cb 0.97 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1r6p h TYR 5 CO 0.01 1.08 -0.46 0.87 -1.05 0.00 0.00 178.16 178.60 1r6p h LYS 6 N 0.66 0.00 0.00 4.88 1.57 -1.78 -3.28 116.57 118.62 1r6p h LYS 6 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1r6p h LYS 6 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1r6p h LYS 6 CO 0.09 0.00 -0.45 0.00 -0.57 0.00 0.00 179.45 178.52 1r6p h ALA 7 N 2.21 1.09 0.15 3.86 0.00 -0.64 -2.42 119.26 123.52 1r6p h ALA 7 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 1r6p h ALA 7 Cb 0.90 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1r6p h ALA 7 CO 0.00 0.56 -1.37 0.00 0.00 0.00 0.00 179.25 178.44 1r6p h ALA 8 N 1.55 0.07 0.00 0.00 0.00 -1.63 -3.26 119.26 115.99 1r6p h ALA 8 Ca -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1r6p h ALA 8 Cb 0.88 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1r6p h ALA 8 CO 0.06 0.76 -0.12 -0.24 0.00 0.00 0.00 179.25 179.70 1r6p h VAL 9 N -0.17 0.55 0.00 0.00 3.04 -1.61 0.22 116.25 118.27 1r6p h VAL 9 Ca -0.27 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1r6p h VAL 9 Cb 1.86 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.51 1r6p h VAL 9 CO 0.13 0.12 -0.13 1.05 -1.01 0.00 0.00 177.57 177.73 1r6p h GLU 10 N 0.00 0.00 -0.01 4.17 4.11 -1.54 -3.33 114.58 117.98 1r6p h GLU 10 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1r6p h GLU 10 Cb 0.36 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.36 1r6p h GLU 10 CO 0.02 0.00 -0.84 0.00 0.07 0.00 0.00 179.01 178.25 1r6p n GLN 11 N -2.92 0.64 -1.70 1.06 10.64 -0.78 -5.09 117.38 119.22 1r6p n GLN 11 Ca 0.04 -2.52 -0.29 0.00 -1.83 0.00 0.00 57.00 52.39 1r6p n GLN 11 Cb 0.52 -0.64 0.14 0.00 -0.86 0.00 0.00 30.24 29.40 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 -1.27 2.22 0.51 2.61 0.05 0.69 -5.00 118.68 118.49 1r6p s LEU 12 Ca 0.36 0.72 -0.00 0.00 0.05 0.00 0.00 54.13 55.25 1r6p s LEU 12 Cb 0.38 -2.98 0.01 0.00 -2.05 0.00 0.00 46.19 41.55 1r6p s LEU 12 CO -0.13 -2.52 0.74 0.42 -0.55 0.00 0.00 176.35 174.31 1r6p s THR 13 N -3.49 3.44 0.30 5.48 -4.23 -1.26 -5.00 115.64 110.88 1r6p s THR 13 Ca 0.66 -0.50 0.07 0.00 -1.18 0.00 0.00 61.69 60.74 1r6p s THR 13 Cb -0.11 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.47 1r6p s THR 13 CO 0.52 -0.22 1.70 0.44 -0.54 0.00 0.00 174.62 176.52 1r6p h ASP 14 N 0.20 0.20 -0.10 3.99 5.19 -1.99 -2.53 116.42 121.37 1r6p h ASP 14 Ca -0.45 -0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 55.82 1r6p h ASP 14 Cb 1.27 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1r6p h ASP 14 CO 0.56 0.62 -0.11 -0.33 -3.12 0.00 0.00 179.24 176.86 1r6p h GLU 15 N 0.16 0.41 -0.16 3.56 5.08 -1.98 -1.21 114.58 120.43 1r6p h GLU 15 Ca 0.01 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1r6p h GLU 15 Cb 0.84 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1r6p h GLU 15 CO 0.07 0.52 -0.37 1.96 -1.00 0.00 0.00 179.01 180.19 1r6p h GLN 16 N 0.39 0.54 -0.81 2.33 4.20 -1.87 0.17 115.11 120.05 1r6p h GLN 16 Ca 0.08 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1r6p h GLN 16 Cb 0.43 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1r6p h GLN 16 CO 0.02 0.97 0.48 0.87 -0.67 0.00 0.00 178.83 180.51 1r6p h LYS 17 N 0.18 1.11 0.00 1.46 1.57 -1.22 -2.31 116.57 117.36 1r6p h LYS 17 Ca -0.00 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1r6p h LYS 17 Cb 0.97 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1r6p h LYS 17 CO 0.08 0.79 -0.47 -0.91 -0.57 0.00 0.00 179.45 178.37 1r6p h ASN 18 N 1.11 0.00 -0.20 0.86 2.35 -1.22 -2.13 115.58 116.36 1r6p h ASN 18 Ca 0.29 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.08 1r6p h ASN 18 Cb -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1r6p h ASN 18 CO -0.05 0.47 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.04 1r6p h GLU 19 N 0.00 -0.04 0.11 0.81 4.81 -0.08 0.24 114.58 120.43 1r6p h GLU 19 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1r6p h GLU 19 Cb 1.30 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1r6p h GLU 19 CO 0.06 -0.03 -1.33 0.74 -0.73 0.00 0.00 179.01 177.72 1r6p h PHE 20 N -0.04 0.42 -0.73 0.92 0.04 -1.63 -3.35 116.94 112.56 1r6p h PHE 20 Ca 0.10 -0.30 0.17 0.00 2.80 0.00 0.00 57.97 60.74 1r6p h PHE 20 Cb 0.20 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 1r6p h PHE 20 CO -0.24 1.52 0.50 -0.22 -0.60 0.00 0.00 178.31 179.27 1r6p h LYS 21 N -0.36 0.25 0.66 1.51 3.11 -1.37 0.45 116.57 120.82 1r6p h LYS 21 Ca -0.29 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.51 1r6p h LYS 21 Cb 1.71 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.89 1r6p h LYS 21 CO 0.05 0.17 -0.33 0.00 -2.81 0.00 0.00 179.45 176.53 1r6p h ALA 22 N 1.66 -0.90 -0.59 5.00 0.00 -1.08 0.34 119.26 123.69 1r6p h ALA 22 Ca 0.36 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1r6p h ALA 22 Cb 1.02 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1r6p h ALA 22 CO -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 179.25 178.19 1r6p h ALA 23 N -0.55 0.94 -0.79 0.00 0.00 -1.51 -2.84 119.26 114.50 1r6p h ALA 23 Ca -0.09 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1r6p h ALA 23 Cb 0.69 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1r6p h ALA 23 CO 0.14 0.64 0.50 0.35 0.00 0.00 0.00 179.25 180.88 1r6p h PHE 24 N 0.93 0.93 -0.40 0.00 3.04 0.09 0.16 116.94 121.69 1r6p h PHE 24 Ca 0.17 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1r6p h PHE 24 Cb 0.50 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1r6p h PHE 24 CO 0.03 0.52 0.10 0.22 -2.02 0.00 0.00 178.31 177.16 1r6p h ASP 25 N 0.96 0.60 -0.03 0.41 3.58 -0.11 0.16 116.42 122.00 1r6p h ASP 25 Ca 0.32 -0.23 -0.17 0.00 0.42 0.00 0.00 57.03 57.37 1r6p h ASP 25 Cb 0.05 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 1r6p h ASP 25 CO -0.13 0.68 -0.58 0.16 -2.88 0.00 0.00 179.24 176.49 1r6p h ILE 26 N 0.50 1.31 0.00 2.25 3.07 -1.27 -3.01 117.51 120.37 1r6p h ILE 26 Ca 0.13 -1.83 -0.19 0.00 1.55 0.00 0.00 64.86 64.52 1r6p h ILE 26 Cb 0.31 1.79 -0.02 0.00 -0.27 0.00 0.00 36.82 38.62 1r6p h ILE 26 CO 0.00 0.57 -0.90 -0.26 -1.05 0.00 0.00 178.15 176.51 1r6p h PHE 27 N 0.47 0.04 -1.00 0.16 0.04 -0.92 -3.23 116.94 112.50 1r6p h PHE 27 Ca 0.00 -0.02 -0.65 0.00 2.80 0.00 0.00 57.97 60.09 1r6p h PHE 27 Cb 1.15 -0.00 -0.29 0.00 2.20 0.00 0.00 35.95 39.00 1r6p h PHE 27 CO 0.05 0.91 0.84 1.51 -0.60 0.00 0.00 178.31 181.03 1r6p n ILE 28 N -3.49 3.57 -0.03 -0.55 0.00 0.56 -4.54 119.36 114.88 1r6p n ILE 28 Ca -0.01 -2.78 -0.07 0.00 0.00 0.00 0.00 62.75 59.89 1r6p n ILE 28 Cb 0.85 -1.05 -0.06 0.00 0.00 0.00 0.00 39.64 39.38 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 1.84 -0.06 -0.01 9.51 4.15 -1.54 -3.33 115.11 125.67 1r6p h GLN 29 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.04 1r6p h GLN 29 Cb 1.14 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1r6p h GLN 29 CO 1.52 0.39 -0.02 -3.47 -1.93 0.00 0.00 178.83 175.32 1r6p n ASP 30 N -4.76 1.06 -4.91 -0.69 2.03 -1.26 -4.88 116.55 103.14 1r6p n ASP 30 Ca -0.05 -1.30 -0.29 0.00 0.52 0.00 0.00 54.79 53.67 1r6p n ASP 30 Cb 0.23 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r6p s ALA 31 N -2.05 3.73 -0.21 -1.67 0.00 -1.25 -5.02 121.76 115.29 1r6p s ALA 31 Ca 0.39 -0.67 0.18 0.00 0.00 0.00 0.00 51.96 51.87 1r6p s ALA 31 Cb 0.21 -2.15 0.47 0.00 0.00 0.00 0.00 23.12 21.65 1r6p s ALA 31 CO 0.36 0.39 1.16 0.39 0.00 0.00 0.00 175.76 178.05 1r6p n GLU 32 N -0.66 1.88 0.00 0.00 -0.58 -1.26 -4.75 120.64 115.26 1r6p n GLU 32 Ca -0.03 -3.37 0.00 0.00 -0.42 0.00 0.00 57.16 53.34 1r6p n GLU 32 Cb 0.53 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1r6p n ASP 33 N -0.48 0.61 -2.36 1.62 9.92 -1.26 -5.03 116.55 119.57 1r6p n ASP 33 Ca 0.18 -0.86 -0.12 0.00 -0.53 0.00 0.00 54.79 53.45 1r6p n ASP 33 Cb 0.90 0.18 0.05 0.00 -0.64 0.00 0.00 41.12 41.61 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 0.18 0.03 3.57 0.44 0.00 -1.26 -5.03 105.19 103.12 1r6p n GLY 34 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.46 2.05 -0.45 0.00 -5.25 0.76 -4.76 121.20 113.10 1r6p s ILE 36 Ca -0.06 -0.52 -0.21 0.00 -0.99 0.00 0.00 60.65 58.87 1r6p s ILE 36 Cb -0.02 -2.53 0.03 0.00 2.95 0.00 0.00 42.46 42.88 1r6p s ILE 36 CO 0.06 0.00 0.66 -0.55 -1.79 0.00 0.00 174.94 173.32 1r6p s SER 37 N -4.80 6.32 0.43 4.36 0.15 -1.26 -1.95 113.70 116.94 1r6p s SER 37 Ca 0.69 -0.36 0.14 0.00 0.70 0.00 0.00 55.95 57.12 1r6p s SER 37 Cb -0.04 -2.33 1.02 0.00 -1.71 0.00 0.00 66.02 62.96 1r6p s SER 37 CO 0.46 -0.81 1.95 0.71 1.20 0.00 0.00 173.24 176.75 1r6p h THR 38 N 5.89 0.86 -0.14 6.45 1.35 -1.86 0.24 112.91 125.70 1r6p h THR 38 Ca -0.25 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.41 1r6p h THR 38 Cb 1.09 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1r6p h THR 38 CO 0.91 0.08 -0.13 0.11 -0.25 0.00 0.00 175.52 176.23 1r6p h LYS 39 N 0.44 0.22 -0.68 4.72 1.79 -1.91 -1.98 116.57 119.17 1r6p h LYS 39 Ca 0.32 -0.05 -0.23 0.00 -2.18 0.00 0.00 60.65 58.52 1r6p h LYS 39 Cb 0.67 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.15 1r6p h LYS 39 CO -0.10 0.36 0.25 0.39 -1.08 0.00 0.00 179.45 179.27 1r6p n GLU 40 N -4.28 3.25 0.25 3.15 1.02 0.77 -4.54 120.64 120.26 1r6p n GLU 40 Ca -0.01 -3.07 0.08 0.00 -0.02 0.00 0.00 57.16 54.14 1r6p n GLU 40 Cb 0.27 -2.13 0.62 0.00 -0.02 0.00 0.00 31.44 30.18 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 2.18 0.00 -1.76 -4.62 6.46 -0.53 -1.30 115.31 115.74 1r6p h LEU 41 Ca 0.28 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 58.12 1r6p h LEU 41 Cb 2.24 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 42.14 1r6p h LEU 41 CO 0.69 0.06 0.31 1.23 -0.62 0.00 0.00 178.44 180.11 1r6p h GLY 42 N 0.19 0.37 2.00 3.75 0.00 -1.82 0.57 103.07 108.13 1r6p h GLY 42 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1r6p h GLY 42 CO 0.01 0.08 -0.30 0.50 0.00 0.00 0.00 176.54 176.83 1r6p h LYS 43 N 0.28 0.00 0.06 4.80 1.79 -1.60 -1.37 116.57 120.54 1r6p h LYS 43 Ca 0.21 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.33 1r6p h LYS 43 Cb 0.45 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 1r6p h LYS 43 CO -0.04 0.30 -1.98 1.33 -1.08 0.00 0.00 179.45 177.98 1r6p n VAL 44 N -3.86 1.67 -0.32 0.50 0.24 0.32 -3.88 118.33 113.01 1r6p n VAL 44 Ca -0.01 -0.71 -0.04 0.00 -2.04 0.00 0.00 64.34 61.54 1r6p n VAL 44 Cb 0.38 -1.38 0.08 0.00 -1.47 0.00 0.00 33.84 31.45 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 0.04 1.16 -0.51 7.34 2.86 0.12 -1.41 114.93 124.54 1r6p h MET 45 Ca -0.40 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1r6p h MET 45 Cb 2.03 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 33.42 1r6p h MET 45 CO 0.06 0.80 0.26 0.07 1.06 0.00 0.00 176.91 179.17 1r6p h ARG 46 N 1.18 0.70 -0.34 1.72 0.11 0.14 0.99 114.38 118.88 1r6p h ARG 46 Ca 0.31 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 60.24 1r6p h ARG 46 Cb -0.07 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 30.85 1r6p h ARG 46 CO -0.06 0.53 -0.12 0.52 0.10 0.00 0.00 179.97 180.94 1r6p h MET 47 N 0.71 0.59 -0.09 0.08 2.86 -1.40 -2.53 114.93 115.15 1r6p h MET 47 Ca 0.18 -0.18 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1r6p h MET 47 Cb 0.04 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1r6p h MET 47 CO -0.03 0.70 -0.65 -0.07 1.06 0.00 0.00 176.91 177.93 1r6p h LEU 48 N 0.54 0.40 0.00 1.22 4.07 -0.30 -3.47 115.31 117.77 1r6p h LEU 48 Ca 0.10 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1r6p h LEU 48 Cb 0.53 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1r6p h LEU 48 CO 0.03 0.94 0.00 0.61 -1.08 0.00 0.00 178.44 178.94 1r6p n GLY 49 N 0.38 0.39 3.34 0.83 0.00 0.12 -5.11 105.19 105.15 1r6p n GLY 49 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 1.32 -0.44 1.61 1.11 0.08 -4.96 119.66 118.39 1r6p s GLN 50 Ca 0.00 -1.50 0.05 0.00 0.01 0.00 0.00 55.36 53.92 1r6p s GLN 50 Cb 0.00 -1.27 0.17 0.00 -1.01 0.00 0.00 33.01 30.90 1r6p s GLN 50 CO 0.00 0.24 0.50 1.21 0.01 0.00 0.00 175.29 177.25 1r6p s ASN 51 N -2.96 0.21 0.01 5.90 3.84 -1.26 -0.92 114.94 119.75 1r6p s ASN 51 Ca 0.19 -2.10 0.00 0.00 0.21 0.00 0.00 52.86 51.16 1r6p s ASN 51 Cb -0.04 0.75 0.00 0.00 -0.55 0.00 0.00 41.25 41.42 1r6p s ASN 51 CO 0.07 -0.15 0.00 -0.81 -2.79 0.00 0.00 177.10 173.42 1r6p n PRO 52 N 3.33 1.42 -3.35 0.43 -0.04 -1.26 -5.09 135.00 130.44 1r6p n PRO 52 Ca 0.20 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1r6p n PRO 52 Cb 0.50 0.00 0.03 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 0.42 2.14 0.13 0.52 -4.23 -1.26 -4.96 115.64 108.40 1r6p s THR 53 Ca 0.00 -1.19 0.15 0.00 -1.18 0.00 0.00 61.69 59.47 1r6p s THR 53 Cb 0.00 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.55 1r6p s THR 53 CO 0.00 0.00 1.60 1.55 -0.54 0.00 0.00 174.62 177.23 1r6p h PRO 54 N 0.50 0.00 0.03 3.99 0.13 -1.99 -1.80 132.00 132.85 1r6p h PRO 54 Ca -0.34 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.56 1r6p h PRO 54 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1r6p h PRO 54 CO 0.48 0.53 -1.12 1.05 -0.23 0.00 0.00 178.00 178.71 1r6p h GLU 55 N 0.00 0.05 -0.02 0.86 4.11 -1.99 -2.55 114.58 115.05 1r6p h GLU 55 Ca -0.01 -0.09 -0.21 0.00 0.07 0.00 0.00 59.36 59.12 1r6p h GLU 55 Cb 1.14 0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.44 1r6p h GLU 55 CO 0.07 1.00 -0.80 0.93 0.07 0.00 0.00 179.01 180.27 1r6p h GLU 56 N 0.01 0.57 -0.01 1.06 5.08 -1.94 -3.14 114.58 116.21 1r6p h GLU 56 Ca -0.06 -0.59 -0.12 0.00 -1.00 0.00 0.00 59.36 57.58 1r6p h GLU 56 Cb 1.83 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1r6p h GLU 56 CO 0.14 1.21 -0.58 1.37 -1.00 0.00 0.00 179.01 180.15 1r6p h LEU 57 N 0.17 0.03 0.21 1.33 8.10 -1.43 -3.13 115.31 120.59 1r6p h LEU 57 Ca -0.10 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.87 1r6p h LEU 57 Cb 1.48 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 41.69 1r6p h LEU 57 CO 0.16 0.60 -0.10 1.56 -4.11 0.00 0.00 178.44 176.55 1r6p h GLN 58 N 0.02 -0.27 -0.25 0.17 1.08 -1.49 -0.87 115.11 113.50 1r6p h GLN 58 Ca -0.01 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1r6p h GLN 58 Cb 1.03 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1r6p h GLN 58 CO 0.08 -0.13 0.17 1.05 -0.95 0.00 0.00 178.83 179.05 1r6p h GLU 59 N -0.34 0.19 -0.31 1.46 4.11 -1.58 0.61 114.58 118.72 1r6p h GLU 59 Ca -0.03 -0.01 -0.11 0.00 0.07 0.00 0.00 59.36 59.28 1r6p h GLU 59 Cb 0.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1r6p h GLU 59 CO 0.05 0.12 -0.24 0.52 0.07 0.00 0.00 179.01 179.53 1r6p h MET 60 N 0.19 0.71 -0.07 1.06 2.86 -1.40 -2.65 114.93 115.63 1r6p h MET 60 Ca 0.11 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1r6p h MET 60 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1r6p h MET 60 CO -0.02 0.96 0.02 0.82 1.06 0.00 0.00 176.91 179.76 1r6p h ILE 61 N 0.46 1.17 -0.77 -1.22 2.04 -0.03 -1.19 117.51 117.96 1r6p h ILE 61 Ca 0.06 -0.51 0.18 0.00 1.00 0.00 0.00 64.86 65.59 1r6p h ILE 61 Cb 0.80 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 1r6p h ILE 61 CO 0.06 0.15 0.53 0.44 0.00 0.00 0.00 178.15 179.33 1r6p h ASP 62 N -0.07 0.25 0.14 1.72 3.32 -0.91 0.85 116.42 121.71 1r6p h ASP 62 Ca 0.02 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1r6p h ASP 62 Cb 0.21 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1r6p h ASP 62 CO -0.00 0.11 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.24 1r6p h GLU 63 N 0.26 -0.18 -0.63 3.56 5.08 -1.09 -3.36 114.58 118.22 1r6p h GLU 63 Ca 0.38 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1r6p h GLU 63 Cb 1.12 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1r6p h GLU 63 CO -0.09 0.09 0.13 -0.24 -1.00 0.00 0.00 179.01 177.90 1r6p h VAL 64 N -1.00 1.26 -2.17 3.13 3.04 -0.87 -3.39 116.25 116.24 1r6p h VAL 64 Ca -0.02 -0.96 -0.52 0.00 -1.01 0.00 0.00 66.70 64.19 1r6p h VAL 64 Cb 0.35 0.67 -0.05 0.00 -2.01 0.00 0.00 31.29 30.25 1r6p h VAL 64 CO 0.03 0.36 1.25 -0.62 -1.01 0.00 0.00 177.57 177.58 1r6p s ASP 65 N -6.37 5.60 0.37 3.17 -1.08 0.29 -4.84 116.67 113.82 1r6p s ASP 65 Ca -0.12 0.14 0.06 0.00 -0.52 0.00 0.00 52.55 52.10 1r6p s ASP 65 Cb 0.13 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.78 1r6p s ASP 65 CO 0.83 -2.16 1.96 1.05 0.52 0.00 0.00 175.17 177.37 1r6p h GLU 66 N 13.21 0.50 0.05 4.34 4.11 -1.84 -3.04 114.58 131.91 1r6p h GLU 66 Ca -0.27 -0.07 -0.34 0.00 0.07 0.00 0.00 59.36 58.75 1r6p h GLU 66 Cb 1.13 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1r6p h GLU 66 CO 1.23 0.45 -2.00 -0.40 0.07 0.00 0.00 179.01 178.37 1r6p n ASP 67 N -4.36 1.35 -1.97 3.06 5.75 -1.26 -5.02 116.55 114.10 1r6p n ASP 67 Ca 0.02 0.22 -0.07 0.00 -0.01 0.00 0.00 54.79 54.94 1r6p n ASP 67 Cb 0.17 -0.26 0.04 0.00 -1.03 0.00 0.00 41.12 40.03 1r6p n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r6p n GLY 68 N 1.83 0.14 0.22 6.12 0.00 -1.15 -4.94 105.19 107.40 1r6p n GLY 68 Ca -0.28 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.67 0.72 -0.02 1.61 3.41 -1.26 -4.90 113.62 111.52 1r6p n SER 69 Ca -0.10 -1.06 -0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1r6p n SER 69 Cb 0.56 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 1.15 0.39 3.02 5.00 0.00 -1.26 -5.03 105.19 108.46 1r6p n GLY 70 Ca 0.19 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.01 -0.16 -0.32 2.61 -4.23 -1.26 -2.78 115.64 107.49 1r6p s THR 71 Ca 0.00 0.20 -0.22 0.00 -1.18 0.00 0.00 61.69 60.49 1r6p s THR 71 Cb 0.00 -0.39 -0.00 0.00 1.34 0.00 0.00 72.50 73.45 1r6p s THR 71 CO 0.00 0.08 0.70 -0.69 -0.54 0.00 0.00 174.62 174.17 1r6p s VAL 72 N 1.63 4.86 0.71 2.29 1.01 -0.83 -4.79 120.40 125.28 1r6p s VAL 72 Ca -0.06 0.92 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 1r6p s VAL 72 Cb -0.11 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1r6p s VAL 72 CO -0.08 -0.23 1.08 -1.81 0.00 0.00 0.00 175.10 174.06 1r6p s ASP 73 N 1.68 5.33 0.43 3.32 1.11 -1.26 -0.17 116.67 127.11 1r6p s ASP 73 Ca 0.28 1.02 0.11 0.00 0.18 0.00 0.00 52.55 54.14 1r6p s ASP 73 Cb -0.14 -1.80 0.98 0.00 1.07 0.00 0.00 42.92 43.03 1r6p s ASP 73 CO 0.13 -1.39 2.03 0.15 1.18 0.00 0.00 175.17 177.28 1r6p h PHE 74 N -0.65 0.42 -0.40 4.23 3.57 -1.98 0.87 116.94 123.01 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 1.26 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1r6p h PHE 74 CO 0.47 0.24 -0.10 -0.44 -2.23 0.00 0.00 178.31 176.25 1r6p h ASP 75 N 0.43 0.78 0.73 0.41 3.32 -1.92 -1.86 116.42 118.30 1r6p h ASP 75 Ca 0.19 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.73 1r6p h ASP 75 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1r6p h ASP 75 CO -0.05 0.96 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.42 1r6p h GLU 76 N 0.58 0.00 0.17 3.56 5.08 -1.56 -1.90 114.58 120.52 1r6p h GLU 76 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1r6p h GLU 76 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1r6p h GLU 76 CO 0.04 0.69 -0.08 0.35 -1.00 0.00 0.00 179.01 179.00 1r6p h PHE 77 N 0.00 -0.22 -0.07 4.33 3.57 0.92 -1.46 116.94 124.01 1r6p h PHE 77 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1r6p h PHE 77 Cb 1.23 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1r6p h PHE 77 CO 0.00 0.02 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.51 1r6p h LEU 78 N -0.42 0.21 -0.38 0.59 4.07 -1.39 -3.10 115.31 114.88 1r6p h LEU 78 Ca -0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 1r6p h LEU 78 Cb 0.33 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1r6p h LEU 78 CO 0.04 0.69 0.22 0.58 -1.08 0.00 0.00 178.44 178.89 1r6p h VAL 79 N 0.15 1.13 -0.78 1.22 2.07 -1.23 -2.07 116.25 116.76 1r6p h VAL 79 Ca 0.00 -0.33 0.23 0.00 0.82 0.00 0.00 66.70 67.42 1r6p h VAL 79 Cb 0.96 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1r6p h VAL 79 CO 0.08 0.14 0.68 -0.03 0.02 0.00 0.00 177.57 178.46 1r6p h MET 80 N 0.49 0.00 0.29 1.57 -1.53 -1.18 -0.20 114.93 114.37 1r6p h MET 80 Ca 0.14 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.38 1r6p h MET 80 Cb 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.08 1r6p h MET 80 CO -0.02 0.00 -0.14 1.98 0.14 0.00 0.00 176.91 178.87 1r6p h MET 81 N 0.00 -0.38 -0.02 0.39 -1.53 -1.47 -2.74 114.93 109.19 1r6p h MET 81 Ca 0.37 0.03 -0.12 0.00 -3.44 0.00 0.00 59.70 56.54 1r6p h MET 81 Cb 1.73 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 32.85 1r6p h MET 81 CO -0.00 -0.13 -0.54 -0.39 0.14 0.00 0.00 176.91 175.99 1r6p h VAL 82 N -0.59 1.39 -1.00 -5.77 -1.51 -1.24 -3.06 116.25 104.47 1r6p h VAL 82 Ca -0.04 -1.86 0.08 0.00 -1.23 0.00 0.00 66.70 63.66 1r6p h VAL 82 Cb 0.43 1.98 -0.07 0.00 -2.13 0.00 0.00 31.29 31.50 1r6p h VAL 82 CO 0.07 0.53 0.64 0.03 -1.23 0.00 0.00 177.57 177.61 1r6p h ARG 83 N 0.03 1.08 -0.76 5.19 3.08 -1.00 0.47 114.38 122.47 1r6p h ARG 83 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1r6p h ARG 83 Cb 0.97 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1r6p h ARG 83 CO 0.07 0.72 0.44 0.00 -1.07 0.00 0.00 179.97 180.13 1r6p h MET 85 N 1.05 -0.02 -2.12 0.00 1.85 -1.13 -3.44 114.93 111.12 1r6p h MET 85 Ca 0.27 0.00 -0.23 0.00 -0.61 0.00 0.00 59.70 59.13 1r6p h MET 85 Cb -0.02 0.01 -0.32 0.00 0.43 0.00 0.00 31.60 31.69 1r6p h MET 85 CO -0.05 0.43 -0.56 0.21 -0.40 0.00 0.00 176.91 176.55 1r6p s LYS 86 N -4.34 0.30 -0.19 0.39 2.20 -0.02 -4.99 119.74 113.08 1r6p s LYS 86 Ca -0.16 0.30 0.07 0.00 -0.36 0.00 0.00 55.97 55.82 1r6p s LYS 86 Cb 0.02 -0.74 0.22 0.00 -1.51 0.00 0.00 37.83 35.82 1r6p s LYS 86 CO 0.66 -0.73 1.08 -3.47 -0.36 0.00 0.00 175.35 172.53 1r6p n ASP 87 N 5.34 -0.84 -2.65 1.43 2.03 -0.99 -4.42 116.55 116.45 1r6p n ASP 87 Ca -0.04 -1.68 -0.05 0.00 0.52 0.00 0.00 54.79 53.54 1r6p n ASP 87 Cb 0.49 0.41 -0.04 0.00 -0.72 0.00 0.00 41.12 41.26 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 -0.83 -1.72 0.00 1.67 9.92 -1.26 -5.03 116.55 119.29 1r6p n ASP 88 Ca -0.10 1.34 0.04 0.00 -0.53 0.00 0.00 54.79 55.53 1r6p n ASP 88 Cb 0.71 -5.04 0.24 0.00 -0.64 0.00 0.00 41.12 36.39 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09