#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dag s SER 2 N 0.00 -0.89 -0.40 1.61 0.01 -1.26 -5.11 113.70 107.66 2dag s SER 2 Ca 0.00 0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.69 2dag s SER 2 Cb 0.00 1.67 0.18 0.00 0.21 0.00 0.00 66.02 68.08 2dag s SER 2 CO 0.00 -0.17 0.66 -0.44 0.41 0.00 0.00 173.24 173.71 2dag s SER 3 N 2.91 -1.44 0.00 2.44 0.01 -1.26 -5.11 113.70 111.25 2dag s SER 3 Ca 0.12 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2dag s SER 3 Cb -0.10 1.84 0.00 0.00 0.21 0.00 0.00 66.02 67.97 2dag s SER 3 CO -0.19 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2dag n GLY 4 N 4.39 0.86 2.32 3.44 0.00 -1.26 -5.04 105.19 109.90 2dag n GLY 4 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2dag n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dag n SER 5 N 0.00 -2.97 -4.76 1.61 7.64 -1.26 -4.93 113.62 108.94 2dag n SER 5 Ca 0.00 1.26 -0.40 0.00 1.01 0.00 0.00 58.87 60.74 2dag n SER 5 Cb 0.00 -4.55 -0.04 0.00 -1.01 0.00 0.00 64.21 58.60 2dag n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dag s SER 6 N -0.54 7.26 0.00 6.43 0.15 -1.26 -4.97 113.70 120.77 2dag s SER 6 Ca -0.17 2.20 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2dag s SER 6 Cb 0.01 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2dag s SER 6 CO 0.46 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2dag n GLY 7 N 1.13 -1.40 1.29 9.45 0.00 -1.26 -5.15 105.19 109.25 2dag n GLY 7 Ca -0.01 0.89 0.15 0.00 0.00 0.00 0.00 46.02 47.06 2dag n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dag n LEU 8 N 0.00 -0.77 -4.06 0.99 7.94 -1.26 -4.76 117.00 115.08 2dag n LEU 8 Ca 0.00 1.77 -0.32 0.00 -1.11 0.00 0.00 56.01 56.35 2dag n LEU 8 Cb 0.00 -3.72 -0.15 0.00 0.53 0.00 0.00 43.42 40.08 2dag n LEU 8 CO 0.00 -2.26 -0.37 -1.81 -1.11 0.00 0.00 177.39 171.85 2dag s ASP 9 N -6.60 4.70 0.15 1.96 1.11 -1.26 -4.96 116.67 111.77 2dag s ASP 9 Ca 0.00 -1.78 -0.08 0.00 0.18 0.00 0.00 52.55 50.88 2dag s ASP 9 Cb 0.00 -1.62 -0.02 0.00 1.07 0.00 0.00 42.92 42.34 2dag s ASP 9 CO 0.00 -0.31 1.41 1.05 1.18 0.00 0.00 175.17 178.50 2dag h GLU 10 N 7.74 0.68 -1.11 8.23 4.11 -2.00 -3.10 114.58 129.13 2dag h GLU 10 Ca -0.12 -0.49 0.40 0.00 0.07 0.00 0.00 59.36 59.22 2dag h GLU 10 Cb 1.03 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.21 2dag h GLU 10 CO 0.51 1.11 0.66 1.03 0.07 0.00 0.00 179.01 182.39 2dag h SER 11 N 0.50 0.35 0.25 3.06 0.87 -1.99 0.81 113.55 117.40 2dag h SER 11 Ca -0.01 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2dag h SER 11 Cb 1.24 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2dag h SER 11 CO 0.13 -0.26 -0.12 0.58 -0.53 0.00 0.00 176.83 176.63 2dag h VAL 12 N 0.13 0.59 -0.72 2.23 2.07 -1.98 -2.56 116.25 116.00 2dag h VAL 12 Ca 0.81 -0.91 0.16 0.00 0.82 0.00 0.00 66.70 67.57 2dag h VAL 12 Cb 2.19 0.96 -0.11 0.00 -1.52 0.00 0.00 31.29 32.81 2dag h VAL 12 CO -0.60 0.14 0.12 0.40 0.02 0.00 0.00 177.57 177.65 2dag h ILE 13 N -0.93 0.47 -0.06 4.57 2.04 -0.33 0.96 117.51 124.24 2dag h ILE 13 Ca -0.03 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2dag h ILE 13 Cb 0.49 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2dag h ILE 13 CO 0.06 0.04 -0.27 0.40 0.00 0.00 0.00 178.15 178.37 2dag h ILE 14 N 0.21 0.38 0.09 -0.67 5.03 0.37 0.32 117.51 123.23 2dag h ILE 14 Ca 0.40 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 65.16 2dag h ILE 14 Cb 0.70 0.38 -0.05 0.00 -3.03 0.00 0.00 36.82 34.82 2dag h ILE 14 CO -0.55 0.00 -0.50 1.56 -0.68 0.00 0.00 178.15 177.99 2dag h GLN 15 N -0.38 -0.66 -0.68 2.37 4.20 -0.45 1.30 115.11 120.80 2dag h GLN 15 Ca 0.08 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.98 2dag h GLN 15 Cb 0.50 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 28.31 2dag h GLN 15 CO -0.28 -0.44 0.02 -0.07 -0.67 0.00 0.00 178.83 177.39 2dag h LEU 16 N -0.69 -0.27 -0.96 1.46 3.38 -0.73 0.70 115.31 118.20 2dag h LEU 16 Ca -0.00 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2dag h LEU 16 Cb 0.70 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 2dag h LEU 16 CO -0.28 -0.13 0.38 0.58 0.09 0.00 0.00 178.44 179.08 2dag h VAL 17 N 0.13 1.24 -0.22 1.22 2.07 0.79 -1.44 116.25 120.04 2dag h VAL 17 Ca 0.37 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2dag h VAL 17 Cb 0.62 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2dag h VAL 17 CO -0.58 0.29 -0.09 -0.33 0.02 0.00 0.00 177.57 176.88 2dag h GLU 18 N 1.11 0.35 -0.07 1.57 4.39 0.72 -2.02 114.58 120.63 2dag h GLU 18 Ca 0.27 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 2dag h GLU 18 Cb 0.11 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2dag h GLU 18 CO -0.04 0.45 -0.37 0.52 -1.16 0.00 0.00 179.01 178.41 2dag h MET 19 N 0.33 0.14 0.00 2.33 2.86 0.90 -3.47 114.93 118.02 2dag h MET 19 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2dag h MET 19 Cb 0.37 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2dag h MET 19 CO 0.02 0.50 0.00 0.41 1.06 0.00 0.00 176.91 178.90 2dag n GLY 20 N -0.35 0.30 3.16 8.32 0.00 -0.76 -5.10 105.19 110.76 2dag n GLY 20 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 2dag n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dag s PHE 21 N 0.00 0.51 -0.15 1.61 0.08 -1.17 -5.00 117.98 113.86 2dag s PHE 21 Ca 0.00 -0.97 -0.29 0.00 0.12 0.00 0.00 56.93 55.79 2dag s PHE 21 Cb 0.00 -0.30 -0.02 0.00 -0.57 0.00 0.00 43.02 42.13 2dag s PHE 21 CO 0.00 -0.49 1.27 -1.25 -0.10 0.00 0.00 175.22 174.65 2dag s PRO 22 N -3.95 4.24 0.09 0.24 0.04 -1.26 -4.42 135.00 129.98 2dag s PRO 22 Ca 0.12 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 2dag s PRO 22 Cb 0.07 -3.75 -0.08 0.00 0.04 0.00 0.00 34.50 30.77 2dag s PRO 22 CO -0.06 -0.69 1.37 1.98 0.04 0.00 0.00 177.00 179.64 2dag h MET 23 N 8.19 -0.28 -1.00 4.56 4.05 -1.94 0.65 114.93 129.16 2dag h MET 23 Ca -0.27 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.30 2dag h MET 23 Cb 1.11 0.06 -0.15 0.00 -0.80 0.00 0.00 31.60 31.82 2dag h MET 23 CO 0.96 -0.19 -0.44 -0.25 0.23 0.00 0.00 176.91 177.22 2dag n ASP 24 N -4.52 -0.76 -0.25 1.39 8.00 -1.26 0.17 116.55 119.32 2dag n ASP 24 Ca -0.03 1.75 -0.02 0.00 0.71 0.00 0.00 54.79 57.21 2dag n ASP 24 Cb 0.24 -0.35 0.10 0.00 -0.02 0.00 0.00 41.12 41.08 2dag n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dag h ALA 25 N 1.14 0.96 -0.87 2.24 0.00 -1.43 0.40 119.26 121.70 2dag h ALA 25 Ca 0.30 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2dag h ALA 25 Cb 0.55 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2dag h ALA 25 CO -0.98 0.15 0.57 0.00 0.00 0.00 0.00 179.25 178.99 2dag h ARG 27 N 1.13 0.12 0.18 0.00 3.08 0.33 -2.68 114.38 116.56 2dag h ARG 27 Ca 0.34 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2dag h ARG 27 Cb -0.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2dag h ARG 27 CO -0.10 0.51 -0.09 0.87 -1.07 0.00 0.00 179.97 180.10 2dag h LYS 28 N 0.11 -0.24 0.14 0.04 1.57 0.14 0.03 116.57 118.36 2dag h LYS 28 Ca 0.01 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2dag h LYS 28 Cb 0.77 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2dag h LYS 28 CO 0.06 -0.10 -0.16 0.00 -0.57 0.00 0.00 179.45 178.68 2dag h ALA 29 N 0.50 -0.85 -1.00 3.86 0.00 -1.17 0.39 119.26 120.98 2dag h ALA 29 Ca -0.03 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2dag h ALA 29 Cb 0.24 0.42 -0.15 0.00 0.00 0.00 0.00 17.79 18.30 2dag h ALA 29 CO 0.04 -0.87 -0.44 0.28 0.00 0.00 0.00 179.25 178.27 2dag n VAL 30 N -3.26 -0.56 0.09 0.00 0.31 -1.02 0.15 118.33 114.04 2dag n VAL 30 Ca -0.04 2.36 -0.09 0.00 -0.01 0.00 0.00 64.34 66.56 2dag n VAL 30 Cb 0.14 -3.07 -0.05 0.00 -0.91 0.00 0.00 33.84 29.95 2dag n VAL 30 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2dag h TYR 31 N 0.00 -0.79 -0.96 3.52 3.20 -0.65 1.57 116.97 122.86 2dag h TYR 31 Ca 0.30 0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.40 2dag h TYR 31 Cb 0.55 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 39.07 2dag h TYR 31 CO -0.91 -0.33 0.62 1.88 -1.64 0.00 0.00 178.16 177.78 2dag h TYR 32 N -0.43 0.69 -0.33 -3.82 0.05 0.14 1.03 116.97 114.29 2dag h TYR 32 Ca -0.01 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2dag h TYR 32 Cb 0.42 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2dag h TYR 32 CO -0.32 0.15 0.04 0.25 -1.05 0.00 0.00 178.16 177.23 2dag n THR 33 N -4.59 1.55 -4.03 -2.88 -2.24 0.41 -4.88 114.28 97.62 2dag n THR 33 Ca 0.22 -0.77 -0.35 0.00 -2.27 0.00 0.00 64.05 60.87 2dag n THR 33 Cb 0.71 -0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 2dag n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dag n GLY 34 N 0.25 -0.35 3.17 3.38 0.00 0.35 -1.93 105.19 110.06 2dag n GLY 34 Ca 0.17 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 2dag n GLY 34 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dag n ASN 35 N -1.97 -6.64 -0.08 1.61 5.15 0.51 -4.94 115.26 108.90 2dag n ASN 35 Ca 0.10 0.41 -0.09 0.00 -0.60 0.00 0.00 54.58 54.40 2dag n ASN 35 Cb 0.39 -2.67 -0.10 0.00 -0.53 0.00 0.00 39.78 36.87 2dag n ASN 35 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2dag n SER 36 N 0.55 2.01 0.00 1.20 2.88 -0.81 -4.97 113.62 114.47 2dag n SER 36 Ca -0.01 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2dag n SER 36 Cb 0.47 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 2dag n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dag n GLY 37 N 2.36 2.82 0.48 0.46 0.00 -1.26 -4.92 105.19 105.13 2dag n GLY 37 Ca -0.26 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 2dag n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dag h ALA 38 N 0.00 -1.03 0.03 4.61 0.00 -1.97 0.79 119.26 121.69 2dag h ALA 38 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2dag h ALA 38 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2dag h ALA 38 CO 0.00 -1.14 -0.50 1.49 0.00 0.00 0.00 179.25 179.11 2dag h GLU 39 N -0.86 -0.64 -0.17 0.00 4.81 -1.98 1.31 114.58 117.05 2dag h GLU 39 Ca -0.03 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2dag h GLU 39 Cb 0.80 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 2dag h GLU 39 CO -0.19 -0.43 -0.47 0.00 -0.73 0.00 0.00 179.01 177.19 2dag h ALA 40 N -0.32 -0.69 -0.06 2.92 0.00 -1.85 -1.15 119.26 118.10 2dag h ALA 40 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dag h ALA 40 Cb 0.72 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 2dag h ALA 40 CO -0.33 -0.99 -0.32 0.00 0.00 0.00 0.00 179.25 177.61 2dag h ALA 41 N -0.01 -0.43 -0.90 0.00 0.00 0.11 -2.17 119.26 115.87 2dag h ALA 41 Ca 0.07 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2dag h ALA 41 Cb 0.65 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2dag h ALA 41 CO -0.44 -0.82 -0.42 -0.12 0.00 0.00 0.00 179.25 177.45 2dag n MET 42 N -5.41 -0.28 -0.33 0.00 0.00 0.45 0.01 117.12 111.55 2dag n MET 42 Ca -0.04 1.37 -0.12 0.00 0.00 0.00 0.00 57.70 58.91 2dag n MET 42 Cb 0.33 -2.03 -0.10 0.00 0.00 0.00 0.00 33.22 31.42 2dag n MET 42 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 2dag h ASN 43 N 0.00 -2.07 -0.95 6.12 -0.73 -0.57 1.85 115.58 119.23 2dag h ASN 43 Ca 0.25 0.30 0.27 0.00 1.87 0.00 0.00 56.30 58.99 2dag h ASN 43 Cb 0.47 0.90 -0.14 0.00 0.27 0.00 0.00 38.32 39.82 2dag h ASN 43 CO -0.87 -0.29 0.44 -0.25 -0.37 0.00 0.00 177.43 176.09 2dag h TRP 44 N -0.13 0.72 -0.02 0.67 7.01 -0.34 0.60 115.95 124.47 2dag h TRP 44 Ca 0.13 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 2dag h TRP 44 Cb 0.47 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2dag h TRP 44 CO -0.93 -0.13 -0.01 0.28 -2.79 0.00 0.00 178.44 174.86 2dag h VAL 45 N 0.34 1.30 -0.03 2.65 2.07 0.31 0.22 116.25 123.12 2dag h VAL 45 Ca 0.64 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2dag h VAL 45 Cb 1.33 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2dag h VAL 45 CO -0.59 0.24 0.17 0.24 0.02 0.00 0.00 177.57 177.65 2dag h MET 46 N -0.34 0.00 0.08 1.57 2.86 0.68 1.15 114.93 120.93 2dag h MET 46 Ca 0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.31 2dag h MET 46 Cb 0.39 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2dag h MET 46 CO 0.00 0.00 -1.87 0.45 1.06 0.00 0.00 176.91 176.55 2dag n SER 47 N -3.10 2.04 0.04 1.22 2.88 0.14 -4.17 113.62 112.66 2dag n SER 47 Ca -0.02 0.24 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 2dag n SER 47 Cb 0.24 -0.85 -0.09 0.00 -0.75 0.00 0.00 64.21 62.76 2dag n SER 47 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2dag h HIS 48 N -0.27 -0.12 -1.51 0.66 3.86 0.79 -2.96 115.15 115.60 2dag h HIS 48 Ca -0.43 -0.00 0.44 0.00 -1.16 0.00 0.00 60.37 59.21 2dag h HIS 48 Cb 1.81 0.04 -0.06 0.00 1.06 0.00 0.00 27.41 30.26 2dag h HIS 48 CO 0.07 0.31 1.29 0.00 0.86 0.00 0.00 177.93 180.46 2dag h MET 49 N -0.60 0.00 -0.94 2.45 -0.00 0.11 1.41 114.93 117.36 2dag h MET 49 Ca -0.01 0.00 0.20 0.00 -0.00 0.00 0.00 59.70 59.89 2dag h MET 49 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.01 2dag h MET 49 CO 0.02 0.00 0.61 0.22 -0.00 0.00 0.00 176.91 177.76 2dag h ASP 50 N 0.00 0.52 -2.97 -0.10 3.58 -1.68 -3.40 116.42 112.37 2dag h ASP 50 Ca 0.72 0.06 -0.62 0.00 0.42 0.00 0.00 57.03 57.60 2dag h ASP 50 Cb 3.29 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 44.25 2dag h ASP 50 CO -0.01 0.20 -0.53 1.51 -2.88 0.00 0.00 179.24 177.53 2dag s ASP 51 N -5.57 6.12 0.00 2.28 -4.77 0.48 -4.98 116.67 110.24 2dag s ASP 51 Ca -0.09 0.19 0.23 0.00 -3.30 0.00 0.00 52.55 49.58 2dag s ASP 51 Cb 0.23 -1.82 1.19 0.00 -1.09 0.00 0.00 42.92 41.43 2dag s ASP 51 CO 0.79 0.17 1.75 -0.81 0.70 0.00 0.00 175.17 177.76 2dag n PRO 52 N 0.30 0.39 -0.59 2.11 -0.04 -1.26 -2.61 135.00 133.30 2dag n PRO 52 Ca -0.06 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2dag n PRO 52 Cb 0.51 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.69 2dag n PRO 52 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2dag n ASP 53 N -1.24 3.81 0.00 3.54 5.68 -1.26 -4.00 116.55 123.08 2dag n ASP 53 Ca 0.12 -2.65 -0.22 0.00 -0.50 0.00 0.00 54.79 51.54 2dag n ASP 53 Cb 0.16 -0.63 -0.14 0.00 -1.14 0.00 0.00 41.12 39.37 2dag n ASP 53 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2dag h PHE 54 N 2.07 0.45 -0.35 2.11 3.57 -1.74 -3.35 116.94 119.71 2dag h PHE 54 Ca 0.08 -0.33 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 2dag h PHE 54 Cb 1.55 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.26 2dag h PHE 54 CO 0.73 1.71 -0.08 0.00 -2.23 0.00 0.00 178.31 178.45 2dag h ALA 55 N -0.01 1.22 -2.03 2.41 0.00 -1.83 -3.40 119.26 115.62 2dag h ALA 55 Ca -0.39 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 53.70 2dag h ALA 55 Cb 1.92 -0.15 0.22 0.00 0.00 0.00 0.00 17.79 19.78 2dag h ALA 55 CO 0.06 0.51 -1.56 0.09 0.00 0.00 0.00 179.25 178.35 2dag n ASN 56 N -4.22 -5.03 -4.08 0.00 3.02 -1.26 -4.46 115.26 99.24 2dag n ASN 56 Ca 0.01 0.33 -0.30 0.00 -0.03 0.00 0.00 54.58 54.59 2dag n ASN 56 Cb 0.31 -0.83 0.20 0.00 -0.61 0.00 0.00 39.78 38.85 2dag n ASN 56 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dag s PRO 57 N -1.85 -0.09 -0.33 3.52 0.04 -1.26 -4.42 135.00 130.60 2dag s PRO 57 Ca 0.46 -0.18 -0.21 0.00 0.04 0.00 0.00 61.00 61.12 2dag s PRO 57 Cb -0.27 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2dag s PRO 57 CO 0.77 -2.94 0.66 -1.17 0.04 0.00 0.00 177.00 174.35 2dag s LEU 58 N -6.35 4.19 -0.55 -3.56 2.96 -1.26 -4.96 118.68 109.14 2dag s LEU 58 Ca 0.71 0.32 -0.35 0.00 -0.22 0.00 0.00 54.13 54.59 2dag s LEU 58 Cb -0.08 -2.84 -0.15 0.00 0.50 0.00 0.00 46.19 43.63 2dag s LEU 58 CO 0.54 -0.56 2.33 -0.38 -1.32 0.00 0.00 176.35 176.96 2dag n ILE 59 N 5.52 0.07 -2.84 6.68 -0.00 -1.26 -4.88 119.36 122.65 2dag n ILE 59 Ca -0.00 -0.21 -0.35 0.00 -0.00 0.00 0.00 62.75 62.19 2dag n ILE 59 Cb 0.49 -1.27 -0.07 0.00 -0.00 0.00 0.00 39.64 38.79 2dag n ILE 59 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 2dag s LEU 60 N 8.05 4.15 -0.73 1.39 0.05 -1.26 -4.97 118.68 125.36 2dag s LEU 60 Ca 1.17 1.71 -0.26 0.00 0.05 0.00 0.00 54.13 56.79 2dag s LEU 60 Cb -1.01 -4.22 0.00 0.00 -2.05 0.00 0.00 46.19 38.92 2dag s LEU 60 CO 0.50 -0.20 1.59 -2.16 -0.55 0.00 0.00 176.35 175.53 2dag s PRO 61 N -2.60 2.94 0.00 1.48 0.04 -1.26 -4.67 135.00 130.93 2dag s PRO 61 Ca 0.55 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2dag s PRO 61 Cb -0.14 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2dag s PRO 61 CO 0.18 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 175.14 2dag n GLY 62 N 5.77 0.92 3.18 0.56 0.00 -1.26 -4.88 105.19 109.48 2dag n GLY 62 Ca 0.16 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 45.03 2dag n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dag s SER 63 N -4.00 -0.23 -0.21 1.61 0.01 -1.26 -5.16 113.70 104.45 2dag s SER 63 Ca 0.00 0.19 -0.10 0.00 1.31 0.00 0.00 55.95 57.35 2dag s SER 63 Cb 0.00 1.22 0.08 0.00 0.21 0.00 0.00 66.02 67.52 2dag s SER 63 CO 0.00 -0.04 0.49 -0.55 0.41 0.00 0.00 173.24 173.54 2dag s SER 64 N 2.74 -0.58 0.00 2.44 0.15 -1.26 -5.14 113.70 112.04 2dag s SER 64 Ca -0.04 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2dag s SER 64 Cb -0.07 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 2dag s SER 64 CO -0.11 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2dag n GLY 65 N 4.72 3.81 3.57 9.45 0.00 -1.26 -4.97 105.19 120.52 2dag n GLY 65 Ca -0.17 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 2dag n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dag s PRO 66 N -3.19 3.18 -0.36 1.61 0.04 -1.26 -4.93 135.00 130.09 2dag s PRO 66 Ca 0.00 -1.21 -0.16 0.00 0.04 0.00 0.00 61.00 59.67 2dag s PRO 66 Cb 0.00 -5.32 -0.00 0.00 0.04 0.00 0.00 34.50 29.22 2dag s PRO 66 CO 0.00 -2.96 0.38 0.20 0.04 0.00 0.00 177.00 174.65 2dag s GLY 67 N 5.83 1.90 -0.73 0.56 0.00 -1.26 -5.01 107.32 108.60 2dag s GLY 67 Ca 0.60 -1.30 -0.26 0.00 0.00 0.00 0.00 44.72 43.75 2dag s GLY 67 CO 0.04 1.03 1.57 -0.45 0.00 0.00 0.00 173.10 175.29 2dag s SER 68 N 1.75 5.77 0.24 1.64 0.15 -1.26 -4.95 113.70 117.05 2dag s SER 68 Ca 0.12 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 2dag s SER 68 Cb -0.17 -2.55 -0.15 0.00 -1.71 0.00 0.00 66.02 61.44 2dag s SER 68 CO 0.12 -2.09 1.00 -1.20 1.20 0.00 0.00 173.24 172.28 2dag n SER 69 N 10.99 1.03 -0.63 5.45 7.64 -1.26 -4.35 113.62 132.49 2dag n SER 69 Ca 0.15 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.20 2dag n SER 69 Cb 0.50 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2dag n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dag n GLY 70 N 1.55 -0.30 3.58 0.23 0.00 -1.26 -4.94 105.19 104.05 2dag n GLY 70 Ca 0.12 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2dag n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dag s PRO 71 N -0.71 3.27 -0.08 1.61 0.04 -1.26 -4.85 135.00 133.01 2dag s PRO 71 Ca 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 61.00 59.40 2dag s PRO 71 Cb 0.00 -5.40 0.05 0.00 0.04 0.00 0.00 34.50 29.19 2dag s PRO 71 CO 0.00 -3.10 0.17 -1.12 0.04 0.00 0.00 177.00 172.99 2dag s SER 72 N 5.31 0.44 -0.26 6.66 0.01 -1.26 -5.12 113.70 119.48 2dag s SER 72 Ca 0.61 0.36 -0.02 0.00 1.31 0.00 0.00 55.95 58.21 2dag s SER 72 Cb 0.02 0.30 0.15 0.00 0.21 0.00 0.00 66.02 66.70 2dag s SER 72 CO 0.11 -0.22 0.44 -0.44 0.41 0.00 0.00 173.24 173.54 2dag s SER 73 N 1.97 -0.16 0.00 2.44 0.01 -1.26 -5.21 113.70 111.48 2dag s SER 73 Ca -0.01 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2dag s SER 73 Cb -0.12 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.49 2dag s SER 73 CO -0.06 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.90