#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5p s TYR 8 N 0.00 3.30 -0.26 1.09 1.51 -0.65 0.25 117.35 122.59 1r5p s TYR 8 Ca 0.00 1.02 -0.16 0.00 -1.01 0.00 0.00 57.07 56.92 1r5p s TYR 8 Cb 0.00 -2.98 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 1r5p s TYR 8 CO 0.00 -0.38 0.44 0.08 -1.11 0.00 0.00 175.55 174.58 1r5p s VAL 9 N 2.73 5.13 -0.38 0.71 1.01 0.22 -1.29 120.40 128.52 1r5p s VAL 9 Ca 0.32 0.73 -0.23 0.00 0.00 0.00 0.00 61.98 62.79 1r5p s VAL 9 Cb -0.15 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1r5p s VAL 9 CO 0.08 0.13 0.80 -0.22 0.00 0.00 0.00 175.10 175.89 1r5p s LEU 10 N 2.14 4.13 -0.24 3.92 2.96 0.10 -1.65 118.68 130.04 1r5p s LEU 10 Ca 0.18 0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 54.30 1r5p s LEU 10 Cb -0.16 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1r5p s LEU 10 CO 0.09 -0.79 0.13 -0.54 -1.32 0.00 0.00 176.35 173.93 1r5p s LYS 11 N 3.19 3.93 -0.22 1.98 1.02 0.28 -1.41 119.74 128.52 1r5p s LYS 11 Ca 0.32 -0.34 -0.04 0.00 0.02 0.00 0.00 55.97 55.93 1r5p s LYS 11 Cb -0.13 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1r5p s LYS 11 CO 0.18 -0.01 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.07 1r5p s LEU 12 N 1.21 2.99 -0.26 3.17 1.43 -0.26 -1.28 118.68 125.67 1r5p s LEU 12 Ca 0.06 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 1r5p s LEU 12 Cb -0.14 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1r5p s LEU 12 CO 0.05 0.00 0.25 -0.31 0.23 0.00 0.00 176.35 176.57 1r5p s TYR 13 N 1.36 3.25 0.12 0.29 1.51 -0.93 -0.11 117.35 122.84 1r5p s TYR 13 Ca 0.04 0.25 0.10 0.00 -1.01 0.00 0.00 57.07 56.45 1r5p s TYR 13 Cb -0.14 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 1r5p s TYR 13 CO -0.01 -0.13 -0.24 0.14 -1.11 0.00 0.00 175.55 174.20 1r5p s VAL 14 N 1.69 1.98 -1.15 0.71 -7.23 0.43 -0.68 120.40 116.16 1r5p s VAL 14 Ca 0.10 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 58.52 1r5p s VAL 14 Cb -0.15 -1.78 0.25 0.00 0.56 0.00 0.00 36.38 35.25 1r5p s VAL 14 CO 0.09 0.00 1.36 0.00 -0.31 0.00 0.00 175.10 176.25 1r5p n ALA 15 N 0.96 4.51 0.00 1.32 0.00 0.11 -1.31 120.51 126.11 1r5p n ALA 15 Ca -0.18 -4.57 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1r5p n ALA 15 Cb 0.53 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1r5p n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5p n GLY 16 N 2.67 -1.43 3.35 0.00 0.00 -1.26 -4.83 105.19 103.70 1r5p n GLY 16 Ca 0.29 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 1r5p n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r5p s ASN 17 N -2.78 2.24 0.08 1.61 0.01 -1.26 -4.87 114.94 109.97 1r5p s ASN 17 Ca 0.00 -1.15 0.01 0.00 -0.71 0.00 0.00 52.86 51.01 1r5p s ASN 17 Cb 0.00 -0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 1r5p s ASN 17 CO 0.00 -0.38 -0.06 0.42 -1.51 0.00 0.00 177.10 175.56 1r5p s THR 18 N -3.21 0.60 0.36 1.60 -4.23 -1.26 -5.00 115.64 104.50 1r5p s THR 18 Ca 0.26 -1.77 0.12 0.00 -1.18 0.00 0.00 61.69 59.12 1r5p s THR 18 Cb 0.04 -1.47 0.34 0.00 1.34 0.00 0.00 72.50 72.74 1r5p s THR 18 CO 0.08 -0.81 1.82 -0.65 -0.54 0.00 0.00 174.62 174.52 1r5p h PRO 19 N 3.25 0.58 -0.30 3.99 0.11 -2.01 0.20 132.00 137.82 1r5p h PRO 19 Ca -0.35 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 1r5p h PRO 19 Cb 1.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1r5p h PRO 19 CO 0.61 0.39 -0.33 -0.91 -0.21 0.00 0.00 178.00 177.55 1r5p h ASN 20 N 0.60 0.81 -0.54 -2.05 2.35 -1.99 -1.15 115.58 113.62 1r5p h ASN 20 Ca 0.53 -0.48 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1r5p h ASN 20 Cb 1.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1r5p h ASN 20 CO -0.28 1.13 -0.03 0.77 -1.65 0.00 0.00 177.43 177.37 1r5p h SER 21 N 0.51 0.96 -0.74 5.81 4.64 -1.61 -0.56 113.55 122.56 1r5p h SER 21 Ca 0.04 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1r5p h SER 21 Cb 0.91 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1r5p h SER 21 CO 0.08 1.05 0.35 0.58 -0.87 0.00 0.00 176.83 178.02 1r5p h VAL 22 N 0.85 1.24 -0.27 0.95 2.07 -0.63 0.17 116.25 120.64 1r5p h VAL 22 Ca 0.15 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1r5p h VAL 22 Cb 0.57 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1r5p h VAL 22 CO 0.03 0.30 0.01 -0.09 0.02 0.00 0.00 177.57 177.84 1r5p h ARG 23 N 1.08 0.47 -0.77 1.57 2.43 -0.94 -2.57 114.38 115.64 1r5p h ARG 23 Ca 0.26 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1r5p h ARG 23 Cb 0.14 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1r5p h ARG 23 CO -0.03 0.62 0.31 0.00 -1.51 0.00 0.00 179.97 179.37 1r5p h ALA 24 N 0.83 1.09 -0.20 2.80 0.00 -0.71 -2.40 119.26 120.67 1r5p h ALA 24 Ca 0.08 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1r5p h ALA 24 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1r5p h ALA 24 CO 0.01 0.65 -0.22 -0.07 0.00 0.00 0.00 179.25 179.62 1r5p h LEU 25 N 1.12 0.34 -0.46 0.00 3.38 -0.54 -0.49 115.31 118.67 1r5p h LEU 25 Ca 0.26 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1r5p h LEU 25 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1r5p h LEU 25 CO -0.02 0.58 -0.21 0.11 0.09 0.00 0.00 178.44 178.99 1r5p h LYS 26 N 0.32 0.95 -0.16 1.13 1.57 -1.13 -0.87 116.57 118.38 1r5p h LYS 26 Ca 0.05 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1r5p h LYS 26 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1r5p h LYS 26 CO 0.04 1.07 0.07 1.15 -0.57 0.00 0.00 179.45 181.21 1r5p h THR 27 N 0.79 1.15 -0.66 -0.16 2.02 -1.10 -0.86 112.91 114.09 1r5p h THR 27 Ca 0.10 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 66.92 1r5p h THR 27 Cb 0.78 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 1r5p h THR 27 CO 0.06 0.14 0.34 0.25 0.37 0.00 0.00 175.52 176.68 1r5p h LEU 28 N 0.11 0.47 -0.30 2.58 6.46 -0.95 0.14 115.31 123.81 1r5p h LEU 28 Ca 0.05 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1r5p h LEU 28 Cb 0.16 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1r5p h LEU 28 CO -0.01 0.29 0.20 0.50 -0.62 0.00 0.00 178.44 178.80 1r5p h LYS 29 N 0.61 0.40 -0.50 1.25 3.64 -0.73 -1.60 116.57 119.64 1r5p h LYS 29 Ca 0.31 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1r5p h LYS 29 Cb 0.26 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1r5p h LYS 29 CO -0.22 0.27 0.05 -0.91 -2.27 0.00 0.00 179.45 176.37 1r5p h ASN 30 N 0.41 0.83 -0.49 4.20 2.35 -0.39 -1.62 115.58 120.86 1r5p h ASN 30 Ca 0.11 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1r5p h ASN 30 Cb -0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1r5p h ASN 30 CO -0.02 0.90 0.22 0.40 -1.65 0.00 0.00 177.43 177.28 1r5p h ILE 31 N 0.73 1.20 0.01 2.81 2.04 -0.65 0.16 117.51 123.80 1r5p h ILE 31 Ca 0.15 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1r5p h ILE 31 Cb 0.45 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1r5p h ILE 31 CO 0.02 0.23 -0.03 -0.07 0.00 0.00 0.00 178.15 178.30 1r5p h LEU 32 N 0.65 -0.08 -1.27 1.44 3.38 -1.18 0.14 115.31 118.38 1r5p h LEU 32 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1r5p h LEU 32 Cb 0.15 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1r5p h LEU 32 CO -0.02 -0.04 0.23 -0.33 0.09 0.00 0.00 178.44 178.37 1r5p h GLU 33 N -0.05 0.73 0.27 1.13 5.08 -1.15 0.74 114.58 121.33 1r5p h GLU 33 Ca 0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1r5p h GLU 33 Cb 0.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1r5p h GLU 33 CO -0.02 0.58 -0.13 0.37 -1.00 0.00 0.00 179.01 178.81 1r5p h GLN 34 N 0.73 -0.35 0.01 2.33 4.15 -0.20 -1.84 115.11 119.94 1r5p h GLN 34 Ca 0.18 0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.41 1r5p h GLN 34 Cb 0.11 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1r5p h GLN 34 CO -0.02 -0.02 -1.01 0.93 -1.93 0.00 0.00 178.83 176.78 1r5p h GLU 35 N -0.73 0.01 -0.15 1.69 5.08 -0.71 -3.37 114.58 116.41 1r5p h GLU 35 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1r5p h GLU 35 Cb 0.49 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1r5p h GLU 35 CO 0.06 1.01 0.00 1.19 -1.00 0.00 0.00 179.01 180.27 1r5p n PHE 36 N -3.36 0.21 -4.28 4.33 3.01 0.25 -5.02 117.46 112.59 1r5p n PHE 36 Ca -0.00 -0.53 -0.35 0.00 1.01 0.00 0.00 57.45 57.58 1r5p n PHE 36 Cb 0.94 -0.05 -0.08 0.00 -0.01 0.00 0.00 39.48 40.28 1r5p n PHE 36 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1r5p n GLN 37 N -0.12 -0.83 0.00 -1.08 1.13 -0.69 -0.92 117.38 114.87 1r5p n GLN 37 Ca 0.06 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1r5p n GLN 37 Cb 0.35 -3.92 0.00 0.00 0.11 0.00 0.00 30.24 26.79 1r5p n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r5p n GLY 38 N -1.71 1.68 0.28 1.08 0.00 -1.26 -4.93 105.19 100.34 1r5p n GLY 38 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1r5p n GLY 38 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1r5p h ILE 39 N 0.00 1.12 -4.30 -0.61 2.04 -1.38 -3.43 117.51 110.95 1r5p h ILE 39 Ca 0.00 -0.39 -0.63 0.00 1.00 0.00 0.00 64.86 64.84 1r5p h ILE 39 Cb 0.00 0.83 -0.27 0.00 -0.74 0.00 0.00 36.82 36.63 1r5p h ILE 39 CO 0.00 0.14 -0.86 -0.31 0.00 0.00 0.00 178.15 177.13 1r5p s TYR 40 N -5.16 1.99 0.08 1.37 1.51 -1.26 -1.63 117.35 114.25 1r5p s TYR 40 Ca -0.07 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1r5p s TYR 40 Cb 0.17 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1r5p s TYR 40 CO 0.73 0.06 -0.17 0.00 -1.11 0.00 0.00 175.55 175.06 1r5p s ALA 41 N -0.72 1.41 -0.18 3.71 0.00 -0.41 -4.68 121.76 120.90 1r5p s ALA 41 Ca 0.09 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 1r5p s ALA 41 Cb -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1r5p s ALA 41 CO 0.01 0.24 0.06 -1.17 0.00 0.00 0.00 175.76 174.90 1r5p s LEU 42 N -1.76 3.79 -0.10 0.00 2.96 -1.26 0.03 118.68 122.34 1r5p s LEU 42 Ca 0.01 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1r5p s LEU 42 Cb -0.10 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.66 1r5p s LEU 42 CO 0.03 0.18 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.38 1r5p s LYS 43 N 0.33 1.71 -0.25 1.98 2.20 -0.50 -4.94 119.74 120.27 1r5p s LYS 43 Ca 0.03 -0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 55.19 1r5p s LYS 43 Cb -0.12 -1.58 -0.04 0.00 -1.51 0.00 0.00 37.83 34.58 1r5p s LYS 43 CO 0.00 -0.13 0.10 0.08 -0.36 0.00 0.00 175.35 175.04 1r5p s VAL 44 N 1.22 4.63 -0.31 4.02 1.01 -1.26 -1.10 120.40 128.61 1r5p s VAL 44 Ca -0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1r5p s VAL 44 Cb -0.14 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1r5p s VAL 44 CO -0.03 0.33 0.07 -0.63 0.00 0.00 0.00 175.10 174.84 1r5p s ILE 45 N 1.47 3.69 -0.56 2.22 1.09 0.84 -4.96 121.20 124.99 1r5p s ILE 45 Ca 0.06 -0.96 -0.21 0.00 -1.10 0.00 0.00 60.65 58.43 1r5p s ILE 45 Cb -0.15 -2.99 0.06 0.00 -1.06 0.00 0.00 42.46 38.32 1r5p s ILE 45 CO 0.05 -0.03 0.79 -0.62 -0.10 0.00 0.00 174.94 175.03 1r5p s ASP 46 N 1.42 6.24 0.03 3.58 2.15 -1.26 -0.43 116.67 128.40 1r5p s ASP 46 Ca -0.00 -0.83 0.10 0.00 0.43 0.00 0.00 52.55 52.25 1r5p s ASP 46 Cb -0.18 -2.36 0.44 0.00 -0.30 0.00 0.00 42.92 40.52 1r5p s ASP 46 CO 0.02 -1.12 1.32 1.33 -0.17 0.00 0.00 175.17 176.55 1r5p n VAL 47 N 5.83 1.35 0.34 1.11 0.24 -0.42 -0.21 118.33 126.57 1r5p n VAL 47 Ca -0.04 0.36 0.12 0.00 -2.04 0.00 0.00 64.34 62.74 1r5p n VAL 47 Cb 0.46 -1.22 0.23 0.00 -1.47 0.00 0.00 33.84 31.84 1r5p n VAL 47 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1r5p h LEU 48 N 0.00 0.00 0.00 1.34 4.07 -1.92 -2.55 115.31 116.26 1r5p h LEU 48 Ca 0.00 -0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.57 1r5p h LEU 48 Cb 0.16 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.84 1r5p h LEU 48 CO 0.00 0.00 -2.28 0.29 -1.08 0.00 0.00 178.44 175.37 1r5p n LYS 49 N -2.83 0.55 -3.65 1.13 5.02 0.71 -4.80 118.16 114.29 1r5p n LYS 49 Ca 0.04 0.24 -0.27 0.00 -2.02 0.00 0.00 58.31 56.30 1r5p n LYS 49 Cb 0.50 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 1r5p n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r5p n ASN 50 N -4.21 2.30 -0.16 4.39 4.13 0.53 -5.00 115.26 117.25 1r5p n ASN 50 Ca -0.47 -3.06 -0.09 0.00 1.68 0.00 0.00 54.58 52.64 1r5p n ASN 50 Cb 0.82 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1r5p n ASN 50 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1r5p h PRO 51 N 5.07 0.71 -6.26 3.52 0.13 -1.66 -3.39 132.00 130.12 1r5p h PRO 51 Ca 0.18 -0.15 -0.55 0.00 -0.87 0.00 0.00 66.00 64.61 1r5p h PRO 51 Cb 0.77 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1r5p h PRO 51 CO 0.66 0.67 1.09 -0.65 -0.23 0.00 0.00 178.00 179.54 1r5p s GLN 52 N -5.45 4.13 0.26 0.86 1.11 -1.26 -4.94 119.66 114.36 1r5p s GLN 52 Ca -0.13 2.11 -0.29 0.00 0.01 0.00 0.00 55.36 57.06 1r5p s GLN 52 Cb 0.11 -3.99 -0.09 0.00 -1.01 0.00 0.00 33.01 28.02 1r5p s GLN 52 CO 0.77 -0.91 1.27 -0.51 0.01 0.00 0.00 175.29 175.93 1r5p s LEU 53 N 4.21 4.44 0.70 2.90 1.43 -1.26 -5.01 118.68 126.09 1r5p s LEU 53 Ca 0.73 2.49 -0.06 0.00 -1.03 0.00 0.00 54.13 56.26 1r5p s LEU 53 Cb -0.32 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.34 1r5p s LEU 53 CO 0.29 -0.46 1.00 0.00 0.23 0.00 0.00 176.35 177.41 1r5p s ALA 54 N -0.58 3.23 0.07 4.21 0.00 -1.26 -4.93 121.76 122.49 1r5p s ALA 54 Ca 0.52 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1r5p s ALA 54 Cb -0.37 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 1r5p s ALA 54 CO 0.44 -1.31 0.73 0.39 0.00 0.00 0.00 175.76 176.01 1r5p n GLU 55 N -2.89 -0.19 0.05 0.00 -0.58 -1.26 -1.05 120.64 114.72 1r5p n GLU 55 Ca 0.09 0.72 0.12 0.00 -0.42 0.00 0.00 57.16 57.67 1r5p n GLU 55 Cb 0.60 -1.05 0.25 0.00 -0.57 0.00 0.00 31.44 30.67 1r5p n GLU 55 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1r5p n GLU 56 N -4.31 0.20 -2.02 3.49 0.28 -1.26 -4.90 120.64 112.12 1r5p n GLU 56 Ca 0.01 0.07 -0.41 0.00 -0.16 0.00 0.00 57.16 56.67 1r5p n GLU 56 Cb 0.11 -1.64 -0.02 0.00 1.43 0.00 0.00 31.44 31.31 1r5p n GLU 56 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1r5p s ASP 57 N -3.88 6.66 0.01 -1.84 -0.00 -0.21 -5.01 116.67 112.40 1r5p s ASP 57 Ca 0.08 2.64 -0.18 0.00 -0.00 0.00 0.00 52.55 55.10 1r5p s ASP 57 Cb 0.15 -2.62 0.03 0.00 -0.00 0.00 0.00 42.92 40.48 1r5p s ASP 57 CO 0.69 -0.71 0.39 -1.59 -0.00 0.00 0.00 175.17 173.95 1r5p s LYS 58 N -0.16 0.81 -0.17 8.23 -2.85 -1.26 -4.67 119.74 119.67 1r5p s LYS 58 Ca 0.60 -0.22 0.01 0.00 -1.00 0.00 0.00 55.97 55.37 1r5p s LYS 58 Cb -0.42 0.36 0.02 0.00 -2.06 0.00 0.00 37.83 35.73 1r5p s LYS 58 CO 0.41 -0.25 -0.20 0.42 0.10 0.00 0.00 175.35 175.83 1r5p s ILE 59 N -1.80 2.09 0.14 3.79 1.01 -1.26 -4.58 121.20 120.59 1r5p s ILE 59 Ca -0.10 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.66 1r5p s ILE 59 Cb -0.03 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1r5p s ILE 59 CO 0.02 0.54 0.09 -0.76 0.00 0.00 0.00 174.94 174.83 1r5p s LEU 60 N 1.12 3.70 0.35 2.97 1.43 -0.06 -4.84 118.68 123.35 1r5p s LEU 60 Ca 0.01 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 1r5p s LEU 60 Cb -0.14 -2.35 -0.12 0.00 0.03 0.00 0.00 46.19 43.61 1r5p s LEU 60 CO -0.09 0.11 1.38 0.00 0.23 0.00 0.00 176.35 177.97 1r5p n ALA 61 N -0.04 1.73 -0.28 4.21 0.00 -1.26 -0.24 120.51 124.63 1r5p n ALA 61 Ca -0.09 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1r5p n ALA 61 Cb 0.54 -2.32 0.11 0.00 0.00 0.00 0.00 19.45 17.77 1r5p n ALA 61 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1r5p h THR 62 N 2.74 1.06 -0.09 0.00 2.02 -1.89 -2.13 112.91 114.61 1r5p h THR 62 Ca -0.48 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.42 1r5p h THR 62 Cb 1.27 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1r5p h THR 62 CO 0.64 0.16 0.09 1.55 0.37 0.00 0.00 175.52 178.34 1r5p h PRO 63 N 0.90 0.00 0.00 6.66 0.13 -1.97 -1.14 132.00 136.58 1r5p h PRO 63 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1r5p h PRO 63 Cb 0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1r5p h PRO 63 CO -0.15 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.25 1r5p n THR 64 N -4.01 0.00 0.24 1.56 5.66 -0.80 -4.33 114.28 112.59 1r5p n THR 64 Ca -0.01 0.86 0.12 0.00 -3.05 0.00 0.00 64.05 61.97 1r5p n THR 64 Cb 0.20 -1.69 0.55 0.00 -1.55 0.00 0.00 70.33 67.84 1r5p n THR 64 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1r5p h LEU 65 N 0.00 0.00 -1.66 1.09 3.38 -1.61 -3.32 115.31 113.19 1r5p h LEU 65 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1r5p h LEU 65 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1r5p h LEU 65 CO 0.00 0.17 0.35 0.77 0.09 0.00 0.00 178.44 179.82 1r5p h SER 66 N 0.00 0.36 -0.01 -0.43 4.64 -1.39 -2.49 113.55 114.23 1r5p h SER 66 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r5p h SER 66 Cb 0.63 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1r5p h SER 66 CO 0.02 0.23 0.03 0.50 -0.87 0.00 0.00 176.83 176.74 1r5p h LYS 67 N 0.41 0.00 -0.23 4.77 3.64 -1.78 -1.85 116.57 121.53 1r5p h LYS 67 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1r5p h LYS 67 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1r5p h LYS 67 CO -0.06 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.56 1r5p n ILE 68 N -3.30 0.28 -3.24 2.00 -5.35 -0.94 -4.94 119.36 103.88 1r5p n ILE 68 Ca -0.03 -0.49 -0.20 0.00 -0.27 0.00 0.00 62.75 61.76 1r5p n ILE 68 Cb 0.10 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 1r5p n ILE 68 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1r5p s LEU 69 N -1.59 3.81 0.28 7.28 1.43 -0.70 -5.07 118.68 124.13 1r5p s LEU 69 Ca 0.34 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 1r5p s LEU 69 Cb 0.20 -2.91 -0.12 0.00 0.03 0.00 0.00 46.19 43.39 1r5p s LEU 69 CO 0.29 -0.58 1.55 -2.65 0.23 0.00 0.00 176.35 175.19 1r5p n PRO 70 N -1.85 2.56 -0.30 1.29 -0.02 -1.26 -4.72 135.00 130.70 1r5p n PRO 70 Ca 0.01 0.91 -0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1r5p n PRO 70 Cb 0.58 -2.66 0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1r5p n PRO 70 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1r5p h PRO 71 N 4.60 -0.04 0.00 0.52 0.11 -1.97 0.17 132.00 135.39 1r5p h PRO 71 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1r5p h PRO 71 Cb 1.24 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1r5p h PRO 71 CO 0.78 -0.03 -0.21 -1.00 -0.21 0.00 0.00 178.00 177.33 1r5p h PRO 72 N -0.04 0.00 -0.26 1.05 0.13 -2.01 -2.47 132.00 128.40 1r5p h PRO 72 Ca 0.35 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.40 1r5p h PRO 72 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1r5p h PRO 72 CO -0.86 0.21 -0.12 0.28 -0.23 0.00 0.00 178.00 177.28 1r5p h VAL 73 N 0.00 1.30 -0.93 1.56 2.07 -1.10 -2.18 116.25 116.97 1r5p h VAL 73 Ca -0.00 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1r5p h VAL 73 Cb 0.41 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1r5p h VAL 73 CO 0.03 0.38 0.60 0.03 0.02 0.00 0.00 177.57 178.63 1r5p h ARG 74 N 0.28 1.13 0.03 1.57 3.08 -0.83 -0.45 114.38 119.19 1r5p h ARG 74 Ca 0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r5p h ARG 74 Cb 0.63 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1r5p h ARG 74 CO 0.04 0.75 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.45 1r5p h LYS 75 N 1.16 -0.04 -0.63 0.04 3.11 -1.28 0.16 116.57 119.08 1r5p h LYS 75 Ca 0.37 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 58.22 1r5p h LYS 75 Cb 0.02 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 1r5p h LYS 75 CO -0.13 0.09 0.42 0.82 -2.81 0.00 0.00 179.45 177.84 1r5p h ILE 76 N -0.17 1.16 -0.41 2.00 2.04 -1.08 0.08 117.51 121.13 1r5p h ILE 76 Ca -0.00 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1r5p h ILE 76 Cb 0.15 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1r5p h ILE 76 CO 0.01 0.16 0.19 0.40 0.00 0.00 0.00 178.15 178.90 1r5p h ILE 77 N 0.85 1.15 -0.67 -0.67 2.04 -0.87 0.25 117.51 119.59 1r5p h ILE 77 Ca 0.23 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1r5p h ILE 77 Cb -0.10 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1r5p h ILE 77 CO -0.05 0.17 0.10 1.23 0.00 0.00 0.00 178.15 179.61 1r5p h GLY 78 N 0.70 1.21 0.77 5.37 0.00 0.64 -0.78 103.07 110.98 1r5p h GLY 78 Ca 0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1r5p h GLY 78 CO -0.02 0.75 0.01 -0.55 0.00 0.00 0.00 176.54 176.73 1r5p h ASP 79 N 1.04 0.12 -0.10 0.19 3.32 0.85 0.19 116.42 122.04 1r5p h ASP 79 Ca 0.20 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1r5p h ASP 79 Cb 0.45 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1r5p h ASP 79 CO 0.01 0.37 0.07 -0.07 -1.72 0.00 0.00 179.24 177.90 1r5p h LEU 80 N -0.12 0.04 0.00 1.55 3.38 -0.44 0.26 115.31 119.98 1r5p h LEU 80 Ca 0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1r5p h LEU 80 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1r5p h LEU 80 CO 0.00 0.03 -0.45 -1.28 0.09 0.00 0.00 178.44 176.83 1r5p h SER 81 N 0.05 0.00 0.26 -0.43 0.87 -0.94 -1.90 113.55 111.46 1r5p h SER 81 Ca 0.04 -0.78 -0.33 0.00 -1.23 0.00 0.00 61.79 59.49 1r5p h SER 81 Cb 0.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1r5p h SER 81 CO -0.00 1.15 -2.02 0.47 -0.53 0.00 0.00 176.83 175.89 1r5p n ASP 82 N -4.55 0.68 -0.06 6.23 8.00 0.04 -3.46 116.55 123.43 1r5p n ASP 82 Ca -0.17 0.22 -0.03 0.00 0.71 0.00 0.00 54.79 55.52 1r5p n ASP 82 Cb 0.53 0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.89 1r5p n ASP 82 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1r5p h ARG 83 N 0.00 0.00 0.00 -1.24 3.08 -0.68 -3.39 114.38 112.15 1r5p h ARG 83 Ca -0.41 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.54 1r5p h ARG 83 Cb 2.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.14 1r5p h ARG 83 CO 0.05 0.00 -0.47 0.93 -1.07 0.00 0.00 179.97 179.42 1r5p h GLU 84 N -0.87 0.00 -1.56 0.04 4.39 -1.37 -3.47 114.58 111.74 1r5p h GLU 84 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 1r5p h GLU 84 Cb 0.31 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.86 1r5p h GLU 84 CO 0.00 0.47 -0.39 0.54 -1.16 0.00 0.00 179.01 178.46 1r5p n ARG 85 N -3.36 -1.35 0.01 2.33 5.12 -0.92 -4.87 116.66 113.62 1r5p n ARG 85 Ca 0.01 1.05 0.07 0.00 -1.93 0.00 0.00 57.85 57.04 1r5p n ARG 85 Cb 0.64 -5.42 -0.12 0.00 -1.16 0.00 0.00 32.46 26.40 1r5p n ARG 85 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1r5p n VAL 86 N -3.07 0.49 -2.63 1.55 0.24 -0.76 -4.87 118.33 109.28 1r5p n VAL 86 Ca -0.20 -0.59 -0.43 0.00 -2.04 0.00 0.00 64.34 61.08 1r5p n VAL 86 Cb 0.63 -0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 1r5p n VAL 86 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1r5p s LEU 87 N -5.01 4.02 -0.15 1.34 2.96 -0.99 0.10 118.68 120.95 1r5p s LEU 87 Ca -0.06 1.24 -0.21 0.00 -0.22 0.00 0.00 54.13 54.89 1r5p s LEU 87 Cb 0.11 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 43.08 1r5p s LEU 87 CO 0.86 -0.78 0.42 0.40 -1.32 0.00 0.00 176.35 175.93 1r5p h ILE 88 N 5.59 1.12 -0.72 6.68 2.04 -1.25 -3.44 117.51 127.54 1r5p h ILE 88 Ca -0.20 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.69 1r5p h ILE 88 Cb 1.06 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1r5p h ILE 88 CO 1.01 0.38 0.00 0.61 0.00 0.00 0.00 178.15 180.15 1r5p n GLY 89 N 1.59 1.28 3.74 5.37 0.00 -1.22 -4.47 105.19 111.48 1r5p n GLY 89 Ca -0.14 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1r5p n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1r5p s LEU 90 N 0.00 0.20 0.17 0.99 0.05 0.67 -2.20 118.68 118.56 1r5p s LEU 90 Ca 0.00 -1.14 -0.19 0.00 0.05 0.00 0.00 54.13 52.85 1r5p s LEU 90 Cb 0.00 2.49 0.04 0.00 -2.05 0.00 0.00 46.19 46.68 1r5p s LEU 90 CO 0.00 -1.54 0.53 -0.62 -0.55 0.00 0.00 176.35 174.16 1r5p s ASP 91 N -3.08 -0.36 -0.13 1.48 2.15 -0.41 -0.88 116.67 115.44 1r5p s ASP 91 Ca 0.18 -0.28 -0.04 0.00 0.43 0.00 0.00 52.55 52.85 1r5p s ASP 91 Cb -0.04 0.56 0.05 0.00 -0.30 0.00 0.00 42.92 43.19 1r5p s ASP 91 CO 0.13 -0.99 0.07 -0.22 -0.17 0.00 0.00 175.17 173.99 1r5p s LEU 92 N -2.81 0.38 -0.01 -1.34 2.96 -1.26 -0.56 118.68 116.05 1r5p s LEU 92 Ca 0.05 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1r5p s LEU 92 Cb -0.00 -0.26 -0.00 0.00 0.50 0.00 0.00 46.19 46.42 1r5p s LEU 92 CO -0.08 -0.30 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.81 1r5p s LEU 93 N 2.11 1.99 0.21 -0.68 1.43 -0.66 -4.93 118.68 118.15 1r5p s LEU 93 Ca 0.03 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1r5p s LEU 93 Cb -0.15 -0.39 -0.08 0.00 0.03 0.00 0.00 46.19 45.60 1r5p s LEU 93 CO -0.07 0.09 1.02 -0.47 0.23 0.00 0.00 176.35 177.15 1r5p s TYR 94 N -0.13 3.77 0.31 0.29 5.04 -1.26 0.71 117.35 126.07 1r5p s TYR 94 Ca 0.02 1.77 -0.07 0.00 -2.44 0.00 0.00 57.07 56.35 1r5p s TYR 94 Cb -0.03 -3.13 0.03 0.00 0.35 0.00 0.00 41.96 39.17 1r5p s TYR 94 CO -0.00 -0.07 0.54 0.39 -1.34 0.00 0.00 175.55 175.08 1r5p n GLU 95 N 1.89 0.78 0.00 4.97 1.02 0.14 -4.88 120.64 124.56 1r5p n GLU 95 Ca 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 1r5p n GLU 95 Cb 0.47 2.29 0.00 0.00 -0.02 0.00 0.00 31.44 34.18 1r5p n GLU 95 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40