#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmu h SER 2 N 0.00 -0.00 -5.03 1.61 0.02 -2.15 -3.48 113.55 104.52 2dmu h SER 2 Ca 0.00 -0.61 0.04 0.00 -0.84 0.00 0.00 61.79 60.37 2dmu h SER 2 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2dmu h SER 2 CO 0.00 0.61 0.21 -0.94 -1.14 0.00 0.00 176.83 175.57 2dmu s SER 3 N -5.82 -0.17 -0.20 3.07 1.04 -1.26 -5.18 113.70 105.19 2dmu s SER 3 Ca -0.17 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 55.34 2dmu s SER 3 Cb 0.00 0.75 0.06 0.00 0.10 0.00 0.00 66.02 66.93 2dmu s SER 3 CO 0.68 -1.41 0.51 -0.83 0.98 0.00 0.00 173.24 173.16 2dmu s GLY 4 N -2.97 -0.41 0.04 7.32 0.00 -1.26 -5.16 107.32 104.88 2dmu s GLY 4 Ca 0.13 1.63 0.05 0.00 0.00 0.00 0.00 44.72 46.53 2dmu s GLY 4 CO 0.08 1.56 -0.09 -0.45 0.00 0.00 0.00 173.10 174.21 2dmu s SER 5 N 0.83 4.47 -0.15 1.64 0.15 -1.26 -5.04 113.70 114.33 2dmu s SER 5 Ca -0.04 -0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.16 2dmu s SER 5 Cb -0.05 -0.95 -0.24 0.00 -1.71 0.00 0.00 66.02 63.07 2dmu s SER 5 CO -0.07 0.24 0.43 -1.28 1.20 0.00 0.00 173.24 173.77 2dmu h SER 6 N 4.22 0.19 -2.80 5.45 0.87 -2.10 -3.50 113.55 115.87 2dmu h SER 6 Ca -0.48 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.33 2dmu h SER 6 Cb 1.17 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2dmu h SER 6 CO 0.53 1.51 0.00 0.61 -0.53 0.00 0.00 176.83 178.95 2dmu n GLY 7 N 1.63 -2.68 3.19 5.77 0.00 -1.26 -5.07 105.19 106.77 2dmu n GLY 7 Ca -0.26 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 2dmu n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dmu s ARG 8 N -0.35 3.08 0.23 1.61 3.52 -1.26 -5.13 118.95 120.65 2dmu s ARG 8 Ca 0.00 -0.82 0.05 0.00 -0.13 0.00 0.00 55.73 54.83 2dmu s ARG 8 Cb 0.00 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 2dmu s ARG 8 CO 0.00 -0.03 0.31 0.50 -0.81 0.00 0.00 175.30 175.27 2dmu s ARG 9 N 0.88 3.33 -0.00 5.12 6.06 -1.26 -5.06 118.95 128.02 2dmu s ARG 9 Ca -0.05 -0.80 -0.15 0.00 -2.50 0.00 0.00 55.73 52.24 2dmu s ARG 9 Cb -0.15 -2.83 -0.08 0.00 0.06 0.00 0.00 34.95 31.95 2dmu s ARG 9 CO -0.03 0.44 0.84 1.25 -2.50 0.00 0.00 175.30 175.30 2dmu h HIS 10 N 1.38 -0.49 -3.88 5.12 -0.00 -2.08 -3.47 115.15 111.74 2dmu h HIS 10 Ca -0.51 -0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 59.64 2dmu h HIS 10 Cb 1.23 0.16 -0.15 0.00 -0.00 0.00 0.00 27.41 28.65 2dmu h HIS 10 CO 0.48 -0.31 -0.70 1.03 -0.00 0.00 0.00 177.93 178.44 2dmu s ARG 11 N -3.53 0.78 0.00 5.26 1.81 -1.26 -5.17 118.95 116.84 2dmu s ARG 11 Ca -0.08 -1.27 -0.02 0.00 -1.72 0.00 0.00 55.73 52.64 2dmu s ARG 11 Cb 0.01 -0.16 -0.01 0.00 -0.45 0.00 0.00 34.95 34.35 2dmu s ARG 11 CO 0.23 -0.02 0.02 0.99 -0.68 0.00 0.00 175.30 175.84 2dmu s THR 12 N -3.48 0.05 0.09 0.02 2.01 -1.26 -5.07 115.64 107.99 2dmu s THR 12 Ca 0.09 -0.41 -0.35 0.00 0.31 0.00 0.00 61.69 61.33 2dmu s THR 12 Cb 0.04 -0.18 -0.17 0.00 0.01 0.00 0.00 72.50 72.21 2dmu s THR 12 CO -0.05 -0.23 1.57 0.40 -0.69 0.00 0.00 174.62 175.63 2dmu h ILE 13 N 4.83 0.06 -4.21 1.82 2.04 -2.05 -3.43 117.51 116.58 2dmu h ILE 13 Ca -0.28 0.00 -0.47 0.00 1.00 0.00 0.00 64.86 65.11 2dmu h ILE 13 Cb 1.21 0.06 0.09 0.00 -0.74 0.00 0.00 36.82 37.44 2dmu h ILE 13 CO 0.45 0.00 0.32 -0.36 0.00 0.00 0.00 178.15 178.56 2dmu s PHE 14 N -5.91 2.98 0.29 1.37 0.08 -1.26 -5.09 117.98 110.44 2dmu s PHE 14 Ca -0.18 0.64 0.07 0.00 0.12 0.00 0.00 56.93 57.58 2dmu s PHE 14 Cb 0.05 -3.30 -0.03 0.00 -0.57 0.00 0.00 43.02 39.17 2dmu s PHE 14 CO 0.61 -1.53 0.27 -0.08 -0.10 0.00 0.00 175.22 174.39 2dmu s THR 15 N -3.39 4.19 0.19 0.64 -1.32 -1.26 -4.94 115.64 109.73 2dmu s THR 15 Ca 0.60 -1.31 -0.22 0.00 -1.21 0.00 0.00 61.69 59.55 2dmu s THR 15 Cb -0.11 -3.38 0.11 0.00 -1.51 0.00 0.00 72.50 67.62 2dmu s THR 15 CO 0.47 -0.27 1.57 -2.24 -2.21 0.00 0.00 174.62 171.94 2dmu h ASP 16 N 1.32 -1.38 -0.19 8.08 2.03 -1.98 0.28 116.42 124.58 2dmu h ASP 16 Ca -0.47 0.26 0.05 0.00 -0.73 0.00 0.00 57.03 56.13 2dmu h ASP 16 Cb 1.24 0.67 -0.05 0.00 -0.83 0.00 0.00 39.33 40.36 2dmu h ASP 16 CO 0.59 -0.31 -0.16 -0.08 -1.03 0.00 0.00 179.24 178.26 2dmu h GLU 17 N -0.14 -0.16 -0.58 4.15 4.81 -1.99 0.85 114.58 121.52 2dmu h GLU 17 Ca 0.24 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.59 2dmu h GLU 17 Cb 0.56 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 2dmu h GLU 17 CO -0.76 -0.11 0.10 1.96 -0.73 0.00 0.00 179.01 179.47 2dmu h GLN 18 N -0.17 0.22 -0.13 1.92 4.20 -1.38 -1.72 115.11 118.06 2dmu h GLN 18 Ca 0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2dmu h GLN 18 Cb 0.34 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2dmu h GLN 18 CO -0.29 0.15 0.05 -0.07 -0.67 0.00 0.00 178.83 178.00 2dmu h LEU 19 N 0.23 0.18 -0.50 1.46 3.38 -0.31 -1.51 115.31 118.24 2dmu h LEU 19 Ca 0.30 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2dmu h LEU 19 Cb 0.45 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 2dmu h LEU 19 CO -0.41 0.31 -0.26 -0.08 0.09 0.00 0.00 178.44 178.10 2dmu h GLU 20 N 0.04 -0.14 0.70 1.13 4.81 -0.06 0.20 114.58 121.26 2dmu h GLU 20 Ca 0.04 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2dmu h GLU 20 Cb 0.19 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.61 2dmu h GLU 20 CO -0.00 -0.09 -0.34 0.00 -0.73 0.00 0.00 179.01 177.85 2dmu h ALA 21 N 1.12 -1.11 -0.85 2.92 0.00 -1.27 0.24 119.26 120.32 2dmu h ALA 21 Ca 0.22 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.09 2dmu h ALA 21 Cb 0.50 0.37 -0.16 0.00 0.00 0.00 0.00 17.79 18.50 2dmu h ALA 21 CO -0.59 -1.04 -0.23 -0.07 0.00 0.00 0.00 179.25 177.33 2dmu h LEU 22 N -1.07 -0.85 -0.34 0.00 3.38 -0.99 0.25 115.31 115.70 2dmu h LEU 22 Ca -0.10 0.26 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2dmu h LEU 22 Cb 0.72 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2dmu h LEU 22 CO 0.16 -0.28 -0.03 -0.33 0.09 0.00 0.00 178.44 178.04 2dmu h GLU 23 N -0.01 0.61 -0.68 1.13 5.08 -0.60 0.15 114.58 120.26 2dmu h GLU 23 Ca 0.40 -0.21 0.11 0.00 -1.00 0.00 0.00 59.36 58.66 2dmu h GLU 23 Cb 0.62 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2dmu h GLU 23 CO -0.87 0.76 0.45 -0.91 -1.00 0.00 0.00 179.01 177.44 2dmu h ASN 24 N 0.41 0.42 0.01 1.42 2.35 0.26 0.32 115.58 120.77 2dmu h ASN 24 Ca 0.09 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 2dmu h ASN 24 Cb 0.50 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2dmu h ASN 24 CO 0.02 0.24 -0.61 0.25 -1.65 0.00 0.00 177.43 175.68 2dmu h LEU 25 N 0.46 0.05 -1.61 1.61 5.85 -0.48 -3.18 115.31 118.00 2dmu h LEU 25 Ca 0.32 -0.80 0.07 0.00 0.84 0.00 0.00 57.88 58.31 2dmu h LEU 25 Cb 0.63 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2dmu h LEU 25 CO -0.10 1.25 0.36 0.15 -0.34 0.00 0.00 178.44 179.76 2dmu h PHE 26 N -0.92 0.48 0.28 1.25 3.57 -0.39 0.23 116.94 121.44 2dmu h PHE 26 Ca -0.16 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 2dmu h PHE 26 Cb 1.20 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2dmu h PHE 26 CO 0.20 0.25 -0.14 1.96 -2.23 0.00 0.00 178.31 178.35 2dmu h GLN 27 N 0.47 -0.37 -0.32 1.11 1.08 -0.50 -3.18 115.11 113.40 2dmu h GLN 27 Ca 0.24 0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.41 2dmu h GLN 27 Cb 0.34 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2dmu h GLN 27 CO -0.07 -0.04 -0.05 1.05 -0.95 0.00 0.00 178.83 178.77 2dmu h GLU 28 N -0.73 0.52 -3.86 1.46 4.11 -1.44 -3.43 114.58 111.20 2dmu h GLU 28 Ca -0.04 -0.13 -0.23 0.00 0.07 0.00 0.00 59.36 59.04 2dmu h GLU 28 Cb 0.49 -0.07 -0.26 0.00 0.50 0.00 0.00 28.75 29.41 2dmu h GLU 28 CO 0.06 0.58 -0.72 -0.08 0.07 0.00 0.00 179.01 178.93 2dmu s THR 29 N -4.88 0.08 -0.02 -1.06 -1.32 0.76 -5.06 115.64 104.15 2dmu s THR 29 Ca -0.07 -0.23 -0.21 0.00 -1.21 0.00 0.00 61.69 59.96 2dmu s THR 29 Cb 0.15 -0.11 -0.27 0.00 -1.51 0.00 0.00 72.50 70.76 2dmu s THR 29 CO 0.77 -0.10 0.99 0.11 -2.21 0.00 0.00 174.62 174.19 2dmu h LYS 30 N 5.79 0.34 -3.82 7.08 1.79 -1.82 -3.28 116.57 122.66 2dmu h LYS 30 Ca -0.26 -0.46 -0.59 0.00 -2.18 0.00 0.00 60.65 57.15 2dmu h LYS 30 Cb 1.21 0.15 -0.40 0.00 -1.58 0.00 0.00 32.23 31.61 2dmu h LYS 30 CO 0.49 1.17 -0.75 0.71 -1.08 0.00 0.00 179.45 179.98 2dmu s TYR 31 N -2.82 2.05 0.95 -1.35 2.02 -1.26 -4.93 117.35 112.01 2dmu s TYR 31 Ca -0.13 -1.86 -0.12 0.00 -0.37 0.00 0.00 57.07 54.58 2dmu s TYR 31 Cb 0.02 -1.83 0.16 0.00 -0.40 0.00 0.00 41.96 39.91 2dmu s TYR 31 CO 0.82 -0.85 1.09 -1.25 -1.57 0.00 0.00 175.55 173.79 2dmu s PRO 32 N 1.50 0.83 0.17 -1.71 0.04 -1.26 -5.05 135.00 129.52 2dmu s PRO 32 Ca 0.07 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 61.76 2dmu s PRO 32 Cb -0.18 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2dmu s PRO 32 CO -0.19 -2.50 0.38 -0.51 0.04 0.00 0.00 177.00 174.22 2dmu s ASP 33 N -3.43 6.43 0.30 6.66 1.01 -1.26 -4.90 116.67 121.48 2dmu s ASP 33 Ca 0.64 0.49 0.05 0.00 0.71 0.00 0.00 52.55 54.44 2dmu s ASP 33 Cb -0.18 -2.05 0.80 0.00 1.01 0.00 0.00 42.92 42.50 2dmu s ASP 33 CO 0.57 0.01 1.64 1.62 0.21 0.00 0.00 175.17 179.23 2dmu h VAL 34 N 1.81 0.29 -0.85 -1.27 3.04 -1.98 0.38 116.25 117.67 2dmu h VAL 34 Ca -0.47 -0.07 0.02 0.00 -1.01 0.00 0.00 66.70 65.17 2dmu h VAL 34 Cb 1.18 0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 2dmu h VAL 34 CO 0.71 0.04 0.56 1.23 -1.01 0.00 0.00 177.57 179.09 2dmu h GLY 35 N 0.22 1.22 0.80 3.17 0.00 -2.00 0.38 103.07 106.86 2dmu h GLY 35 Ca 0.60 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 2dmu h GLY 35 CO -0.66 0.39 -0.36 -0.84 0.00 0.00 0.00 176.54 175.07 2dmu h THR 36 N 1.11 1.38 -0.06 4.70 2.02 -0.76 -3.07 112.91 118.23 2dmu h THR 36 Ca 0.33 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.83 2dmu h THR 36 Cb -0.05 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2dmu h THR 36 CO -0.10 0.50 0.04 0.03 0.37 0.00 0.00 175.52 176.36 2dmu h ARG 37 N 0.04 0.07 -0.63 6.66 3.08 -0.65 -0.56 114.38 122.40 2dmu h ARG 37 Ca -0.01 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.16 2dmu h ARG 37 Cb 0.99 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.93 2dmu h ARG 37 CO 0.08 0.05 0.12 0.93 -1.07 0.00 0.00 179.97 180.08 2dmu h GLU 38 N 0.08 0.24 0.43 0.04 5.08 -0.99 0.11 114.58 119.55 2dmu h GLU 38 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dmu h GLU 38 Cb -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2dmu h GLU 38 CO -0.01 0.16 -0.21 1.96 -1.00 0.00 0.00 179.01 179.91 2dmu h GLN 39 N 0.24 -0.56 -0.62 2.33 1.08 -1.39 -3.05 115.11 113.14 2dmu h GLN 39 Ca 0.33 0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.70 2dmu h GLN 39 Cb 0.52 0.13 -0.11 0.00 -0.05 0.00 0.00 27.48 27.97 2dmu h GLN 39 CO -0.44 -0.26 -0.02 1.25 -0.95 0.00 0.00 178.83 178.42 2dmu h LEU 40 N -0.84 -0.31 -0.13 1.46 5.85 -0.66 -0.67 115.31 120.01 2dmu h LEU 40 Ca -0.06 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2dmu h LEU 40 Cb 0.56 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2dmu h LEU 40 CO 0.10 -0.13 -0.28 0.00 -0.34 0.00 0.00 178.44 177.79 2dmu h ALA 41 N 1.58 -0.61 -0.82 1.25 0.00 -0.78 0.36 119.26 120.23 2dmu h ALA 41 Ca 0.32 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.36 2dmu h ALA 41 Cb 0.53 0.85 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2dmu h ALA 41 CO -0.55 -0.73 0.54 0.00 0.00 0.00 0.00 179.25 178.52 2dmu h ARG 42 N -0.25 0.54 -0.67 0.00 3.08 -1.34 0.58 114.38 116.31 2dmu h ARG 42 Ca 0.03 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2dmu h ARG 42 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2dmu h ARG 42 CO -0.26 0.36 0.14 -0.22 -1.07 0.00 0.00 179.97 178.91 2dmu h LYS 43 N 0.55 1.09 -0.38 0.04 1.63 0.48 -2.51 116.57 117.48 2dmu h LYS 43 Ca 0.41 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2dmu h LYS 43 Cb 0.79 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2dmu h LYS 43 CO -0.16 0.98 0.00 1.33 -3.45 0.00 0.00 179.45 178.15 2dmu n VAL 44 N -4.22 0.49 -3.48 2.00 0.24 0.11 -4.95 118.33 108.52 2dmu n VAL 44 Ca 0.05 -0.65 -0.19 0.00 -2.04 0.00 0.00 64.34 61.50 2dmu n VAL 44 Cb 0.27 0.69 0.09 0.00 -1.47 0.00 0.00 33.84 33.42 2dmu n VAL 44 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2dmu n HIS 45 N 1.13 -2.41 -4.42 6.34 8.25 0.17 -4.82 115.22 119.47 2dmu n HIS 45 Ca 0.19 0.96 -0.23 0.00 -0.26 0.00 0.00 57.72 58.38 2dmu n HIS 45 Cb 0.51 -5.05 -0.08 0.00 1.12 0.00 0.00 29.99 26.49 2dmu n HIS 45 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dmu s LEU 46 N -6.64 1.87 0.01 2.41 1.43 0.51 -4.98 118.68 113.28 2dmu s LEU 46 Ca 0.20 -1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 51.57 2dmu s LEU 46 Cb -0.09 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.22 2dmu s LEU 46 CO 0.72 -0.96 0.24 -0.13 0.23 0.00 0.00 176.35 176.45 2dmu s ARG 47 N -3.66 3.52 0.19 1.70 0.52 -1.26 -3.92 118.95 116.04 2dmu s ARG 47 Ca 0.30 -0.19 -0.13 0.00 -0.52 0.00 0.00 55.73 55.19 2dmu s ARG 47 Cb 0.03 -3.07 0.20 0.00 0.52 0.00 0.00 34.95 32.63 2dmu s ARG 47 CO 0.19 0.65 1.68 0.93 0.02 0.00 0.00 175.30 178.76 2dmu h GLU 48 N 3.80 0.11 -0.47 3.54 3.07 -1.92 -1.20 114.58 121.51 2dmu h GLU 48 Ca -0.49 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.43 2dmu h GLU 48 Cb 1.19 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.01 2dmu h GLU 48 CO 0.68 0.07 0.12 1.05 -1.40 0.00 0.00 179.01 179.53 2dmu h GLU 49 N 0.11 0.25 -0.40 2.33 4.11 -1.98 -2.03 114.58 116.97 2dmu h GLU 49 Ca 0.26 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.71 2dmu h GLU 49 Cb 0.39 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2dmu h GLU 49 CO -0.43 0.17 0.17 0.87 0.07 0.00 0.00 179.01 179.85 2dmu h LYS 50 N 0.26 0.33 -0.55 1.06 1.79 -1.66 -2.10 116.57 115.71 2dmu h LYS 50 Ca 0.23 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.78 2dmu h LYS 50 Cb 0.28 -0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.76 2dmu h LYS 50 CO -0.28 0.22 0.03 0.28 -1.08 0.00 0.00 179.45 178.63 2dmu h VAL 51 N 0.34 0.59 -0.64 0.50 2.07 -0.59 -1.07 116.25 117.46 2dmu h VAL 51 Ca 0.18 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2dmu h VAL 51 Cb 0.14 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2dmu h VAL 51 CO -0.16 0.03 0.41 -0.08 0.02 0.00 0.00 177.57 177.79 2dmu h GLU 52 N 0.15 0.84 -0.28 1.57 4.81 -1.01 -2.80 114.58 117.86 2dmu h GLU 52 Ca 0.28 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 2dmu h GLU 52 Cb 0.43 -0.19 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 2dmu h GLU 52 CO -0.44 0.57 -0.29 0.28 -0.73 0.00 0.00 179.01 178.40 2dmu h VAL 53 N 0.86 0.30 0.25 0.32 2.07 -0.55 -2.13 116.25 117.37 2dmu h VAL 53 Ca 0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.76 2dmu h VAL 53 Cb -0.08 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2dmu h VAL 53 CO -0.05 0.00 -0.44 -0.25 0.02 0.00 0.00 177.57 176.85 2dmu h TRP 54 N -0.29 -1.24 -0.97 1.57 7.01 -1.26 -0.69 115.95 120.08 2dmu h TRP 54 Ca 0.14 0.02 0.32 0.00 2.11 0.00 0.00 58.89 61.49 2dmu h TRP 54 Cb 0.51 0.51 -0.17 0.00 -2.10 0.00 0.00 29.16 27.91 2dmu h TRP 54 CO -0.45 -0.56 0.34 0.74 -2.79 0.00 0.00 178.44 175.71 2dmu h PHE 55 N -0.76 0.50 -0.08 2.65 -1.00 -1.21 0.42 116.94 117.46 2dmu h PHE 55 Ca -0.01 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 2dmu h PHE 55 Cb 0.74 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.24 2dmu h PHE 55 CO -0.32 -0.36 -0.05 0.87 -1.61 0.00 0.00 178.31 176.83 2dmu h LYS 56 N 0.10 0.18 -0.63 1.51 1.57 -0.69 0.82 116.57 119.42 2dmu h LYS 56 Ca 0.70 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.45 2dmu h LYS 56 Cb 1.63 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.90 2dmu h LYS 56 CO -0.76 0.56 0.42 -0.91 -0.57 0.00 0.00 179.45 178.18 2dmu h ASN 57 N -0.20 0.59 0.10 0.86 2.35 0.11 -2.38 115.58 117.01 2dmu h ASN 57 Ca 0.02 -0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 2dmu h ASN 57 Cb 0.51 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.77 2dmu h ASN 57 CO 0.01 0.39 -0.96 -0.09 -1.65 0.00 0.00 177.43 175.14 2dmu h ARG 58 N 0.68 0.47 -0.93 0.81 9.65 -0.49 -3.30 114.38 121.27 2dmu h ARG 58 Ca 0.27 -0.64 0.22 0.00 -1.10 0.00 0.00 59.98 58.72 2dmu h ARG 58 Cb 0.20 0.21 -0.12 0.00 -1.39 0.00 0.00 29.97 28.87 2dmu h ARG 58 CO -0.08 1.27 0.48 0.00 2.80 0.00 0.00 179.97 184.44 2dmu h ARG 59 N -0.02 0.50 -0.60 0.20 3.08 -0.32 0.17 114.38 117.38 2dmu h ARG 59 Ca -0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2dmu h ARG 59 Cb 1.69 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.60 2dmu h ARG 59 CO 0.18 0.33 0.35 0.00 -1.07 0.00 0.00 179.97 179.76 2dmu h ALA 60 N 1.69 0.77 -0.29 0.04 0.00 -1.56 -2.56 119.26 117.35 2dmu h ALA 60 Ca 0.58 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.33 2dmu h ALA 60 Cb 1.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dmu h ALA 60 CO -0.48 0.27 -0.08 -0.22 0.00 0.00 0.00 179.25 178.73 2dmu h LYS 61 N 0.81 0.57 -0.62 0.00 3.64 -0.87 -0.53 116.57 119.58 2dmu h LYS 61 Ca 0.21 -0.22 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2dmu h LYS 61 Cb 0.01 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.71 2dmu h LYS 61 CO -0.04 0.78 0.09 2.35 -2.27 0.00 0.00 179.45 180.36 2dmu h TRP 62 N 0.33 0.13 -0.09 1.91 7.01 -0.68 -0.30 115.95 124.27 2dmu h TRP 62 Ca 0.07 0.04 -0.23 0.00 2.11 0.00 0.00 58.89 60.88 2dmu h TRP 62 Cb 0.57 0.04 0.01 0.00 -2.10 0.00 0.00 29.16 27.68 2dmu h TRP 62 CO 0.05 -0.09 -0.85 0.07 -2.79 0.00 0.00 178.44 174.83 2dmu h ARG 63 N 0.21 0.68 -0.55 2.65 0.11 -1.41 -2.71 114.38 113.36 2dmu h ARG 63 Ca 0.33 -0.61 0.09 0.00 0.10 0.00 0.00 59.98 59.89 2dmu h ARG 63 Cb 0.52 0.14 -0.07 0.00 1.11 0.00 0.00 29.97 31.67 2dmu h ARG 63 CO -0.46 1.22 0.16 -0.09 0.10 0.00 0.00 179.97 180.90 2dmu h ARG 64 N 0.44 0.31 0.48 0.08 1.12 0.04 -3.01 114.38 113.84 2dmu h ARG 64 Ca -0.07 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.76 2dmu h ARG 64 Cb 1.48 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.37 2dmu h ARG 64 CO 0.17 0.21 -0.23 0.77 -3.11 0.00 0.00 179.97 177.77 2dmu h SER 65 N 0.32 -0.55 -4.08 -3.80 0.02 -1.14 -3.45 113.55 100.87 2dmu h SER 65 Ca 0.28 -0.05 -0.49 0.00 -0.84 0.00 0.00 61.79 60.68 2dmu h SER 65 Cb 0.35 0.14 0.16 0.00 0.14 0.00 0.00 62.40 63.19 2dmu h SER 65 CO -0.31 -0.14 0.23 -0.83 -1.14 0.00 0.00 176.83 174.64 2dmu s GLY 66 N -2.74 1.64 0.92 -3.77 0.00 -1.02 -5.02 107.32 97.33 2dmu s GLY 66 Ca -0.12 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 2dmu s GLY 66 CO 0.39 0.62 1.09 2.56 0.00 0.00 0.00 173.10 177.77 2dmu s PRO 67 N -4.81 1.06 0.29 2.90 0.04 -1.26 -4.82 135.00 128.41 2dmu s PRO 67 Ca 0.64 0.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 2dmu s PRO 67 Cb -0.20 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.61 2dmu s PRO 67 CO 0.58 -2.36 0.89 -1.54 0.04 0.00 0.00 177.00 174.61 2dmu s SER 68 N -3.42 -0.03 0.24 6.66 1.04 -1.26 -5.01 113.70 111.92 2dmu s SER 68 Ca 0.64 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 56.12 2dmu s SER 68 Cb -0.18 0.69 0.43 0.00 0.10 0.00 0.00 66.02 67.06 2dmu s SER 68 CO 0.57 -1.37 1.70 0.28 0.98 0.00 0.00 173.24 175.40 2dmu h SER 69 N 2.00 0.08 0.00 7.02 0.02 -2.00 -3.55 113.55 117.12 2dmu h SER 69 Ca -0.29 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2dmu h SER 69 Cb 1.24 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2dmu h SER 69 CO 0.37 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.68