#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmu s SER 2 N 0.00 -0.23 -0.20 1.61 1.04 -1.26 -5.14 113.70 109.52 2dmu s SER 2 Ca 0.00 0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.90 2dmu s SER 2 Cb 0.00 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.57 2dmu s SER 2 CO 0.00 -0.11 -0.10 -0.55 0.98 0.00 0.00 173.24 173.46 2dmu s SER 3 N 0.59 3.49 -0.51 7.02 0.15 -1.26 -5.09 113.70 118.09 2dmu s SER 3 Ca -0.04 -0.93 -0.22 0.00 0.70 0.00 0.00 55.95 55.45 2dmu s SER 3 Cb -0.05 -1.26 0.04 0.00 -1.71 0.00 0.00 66.02 63.04 2dmu s SER 3 CO -0.03 -0.15 0.81 -0.83 1.20 0.00 0.00 173.24 174.24 2dmu s GLY 4 N 1.37 1.56 0.29 9.45 0.00 -1.26 -4.92 107.32 113.81 2dmu s GLY 4 Ca -0.02 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.44 2dmu s GLY 4 CO -0.08 1.81 1.69 1.76 0.00 0.00 0.00 173.10 178.28 2dmu h SER 5 N 9.12 0.24 -5.11 1.64 0.02 -2.03 -3.42 113.55 114.02 2dmu h SER 5 Ca -0.26 0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.71 2dmu h SER 5 Cb 1.08 0.16 -0.18 0.00 0.14 0.00 0.00 62.40 63.61 2dmu h SER 5 CO 1.01 -0.03 -0.69 -0.94 -1.14 0.00 0.00 176.83 175.04 2dmu s SER 6 N -5.17 0.37 0.00 3.07 1.04 -1.26 -5.09 113.70 106.66 2dmu s SER 6 Ca -0.12 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2dmu s SER 6 Cb 0.25 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2dmu s SER 6 CO 0.78 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2dmu n GLY 7 N 0.83 -1.83 3.72 7.32 0.00 -1.26 -5.15 105.19 108.81 2dmu n GLY 7 Ca -0.19 0.86 -0.35 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 3.65 -0.23 1.61 6.06 -1.26 -5.08 118.95 123.69 2dmu s ARG 8 Ca 0.00 -0.29 -0.03 0.00 -2.50 0.00 0.00 55.73 52.91 2dmu s ARG 8 Cb 0.00 -3.13 0.08 0.00 0.06 0.00 0.00 34.95 31.95 2dmu s ARG 8 CO 0.00 0.50 0.07 0.50 -2.50 0.00 0.00 175.30 173.87 2dmu s ARG 9 N -0.26 0.48 0.00 5.12 6.06 -1.26 -4.98 118.95 124.11 2dmu s ARG 9 Ca 0.09 -0.52 0.13 0.00 -2.50 0.00 0.00 55.73 52.92 2dmu s ARG 9 Cb -0.12 -1.86 0.76 0.00 0.06 0.00 0.00 34.95 33.79 2dmu s ARG 9 CO 0.01 -0.79 1.35 -2.39 -2.50 0.00 0.00 175.30 170.98 2dmu n HIS 10 N 5.08 0.00 -0.30 5.12 1.44 -1.26 -3.99 115.22 121.31 2dmu n HIS 10 Ca -0.07 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.76 2dmu n HIS 10 Cb 0.45 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.82 2dmu n HIS 10 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dmu h ARG 11 N 0.00 0.12 -3.08 -1.40 3.08 -2.05 -3.41 114.38 107.64 2dmu h ARG 11 Ca 0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2dmu h ARG 11 Cb 0.00 -0.03 -0.21 0.00 0.08 0.00 0.00 29.97 29.82 2dmu h ARG 11 CO 0.00 0.08 -0.31 0.99 -1.07 0.00 0.00 179.97 179.67 2dmu s THR 12 N -6.00 0.05 -0.02 2.04 2.01 -1.26 -5.17 115.64 107.31 2dmu s THR 12 Ca -0.13 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.49 2dmu s THR 12 Cb 0.26 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 2dmu s THR 12 CO 0.77 -0.25 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.60 2dmu s ILE 13 N -1.18 1.79 0.48 1.82 1.01 -1.26 -5.01 121.20 118.84 2dmu s ILE 13 Ca -0.12 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 2dmu s ILE 13 Cb -0.05 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.85 2dmu s ILE 13 CO 0.04 0.50 1.03 -0.36 0.00 0.00 0.00 174.94 176.15 2dmu s PHE 14 N -0.47 3.04 0.36 3.97 0.08 -1.26 -5.04 117.98 118.66 2dmu s PHE 14 Ca 0.07 1.58 -0.16 0.00 0.12 0.00 0.00 56.93 58.54 2dmu s PHE 14 Cb -0.09 -3.04 -0.09 0.00 -0.57 0.00 0.00 43.02 39.23 2dmu s PHE 14 CO -0.00 -0.75 0.79 -0.08 -0.10 0.00 0.00 175.22 175.08 2dmu s THR 15 N -2.03 4.62 0.12 0.64 -1.32 -1.26 -4.84 115.64 111.58 2dmu s THR 15 Ca 0.66 1.04 -0.24 0.00 -1.21 0.00 0.00 61.69 61.94 2dmu s THR 15 Cb -0.15 -3.62 -0.05 0.00 -1.51 0.00 0.00 72.50 67.16 2dmu s THR 15 CO 0.20 -0.27 1.28 0.47 -2.21 0.00 0.00 174.62 174.09 2dmu n ASP 16 N -0.57 -0.82 -0.26 8.08 9.92 -1.26 0.24 116.55 131.88 2dmu n ASP 16 Ca 0.04 1.47 0.00 0.00 -0.53 0.00 0.00 54.79 55.77 2dmu n ASP 16 Cb 0.53 -0.22 0.07 0.00 -0.64 0.00 0.00 41.12 40.86 2dmu n ASP 16 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2dmu h GLU 17 N 0.00 -0.03 -0.05 -1.24 4.81 -1.99 0.25 114.58 116.32 2dmu h GLU 17 Ca 0.12 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2dmu h GLU 17 Cb 0.32 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2dmu h GLU 17 CO -0.73 -0.02 -0.14 1.96 -0.73 0.00 0.00 179.01 179.34 2dmu h GLN 18 N -0.04 -0.21 -0.80 1.92 4.20 -0.53 -2.16 115.11 117.49 2dmu h GLN 18 Ca 0.34 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.11 2dmu h GLN 18 Cb 0.56 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 2dmu h GLN 18 CO -0.77 -0.14 0.50 -0.07 -0.67 0.00 0.00 178.83 177.68 2dmu h LEU 19 N -0.21 0.79 0.16 1.46 3.38 0.52 -1.45 115.31 119.95 2dmu h LEU 19 Ca 0.07 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2dmu h LEU 19 Cb 0.31 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2dmu h LEU 19 CO -0.18 0.52 -0.43 -0.08 0.09 0.00 0.00 178.44 178.36 2dmu h GLU 20 N 0.93 -0.66 0.78 1.13 4.81 -0.00 0.25 114.58 121.81 2dmu h GLU 20 Ca 0.34 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 2dmu h GLU 20 Cb 0.12 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2dmu h GLU 20 CO -0.15 -0.44 -0.47 0.00 -0.73 0.00 0.00 179.01 177.21 2dmu h ALA 21 N -0.25 -1.27 -0.82 2.92 0.00 -1.17 0.43 119.26 119.11 2dmu h ALA 21 Ca 0.01 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2dmu h ALA 21 Cb 0.70 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 2dmu h ALA 21 CO -0.23 -1.22 -0.34 -0.07 0.00 0.00 0.00 179.25 177.39 2dmu h LEU 22 N -1.17 -1.22 -0.95 0.00 3.38 -1.19 0.54 115.31 114.69 2dmu h LEU 22 Ca -0.10 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2dmu h LEU 22 Cb 0.94 0.65 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 2dmu h LEU 22 CO 0.11 -0.29 0.50 -0.33 0.09 0.00 0.00 178.44 178.52 2dmu h GLU 23 N -0.06 1.24 -0.79 1.13 5.08 -0.81 0.23 114.58 120.58 2dmu h GLU 23 Ca 0.31 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2dmu h GLU 23 Cb 0.59 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2dmu h GLU 23 CO -0.85 0.89 0.32 -0.91 -1.00 0.00 0.00 179.01 177.45 2dmu h ASN 24 N 1.25 1.10 -0.04 1.42 2.35 0.22 0.29 115.58 122.17 2dmu h ASN 24 Ca 0.32 -0.17 -0.19 0.00 -0.55 0.00 0.00 56.30 55.70 2dmu h ASN 24 Cb 0.00 -0.29 0.01 0.00 0.05 0.00 0.00 38.32 38.10 2dmu h ASN 24 CO -0.05 0.97 -0.73 0.25 -1.65 0.00 0.00 177.43 176.22 2dmu h LEU 25 N 1.16 0.71 -0.90 1.61 5.85 0.07 -2.53 115.31 121.28 2dmu h LEU 25 Ca 0.26 -0.72 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 2dmu h LEU 25 Cb 0.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2dmu h LEU 25 CO -0.02 1.33 -0.23 0.15 -0.34 0.00 0.00 178.44 179.33 2dmu h PHE 26 N 0.15 0.62 -0.12 1.25 3.57 -0.43 -0.84 116.94 121.14 2dmu h PHE 26 Ca -0.08 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 2dmu h PHE 26 Cb 1.41 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2dmu h PHE 26 CO 0.12 0.74 -0.06 1.96 -2.23 0.00 0.00 178.31 178.84 2dmu h GLN 27 N 0.49 0.26 -0.35 1.11 1.08 -0.45 -3.24 115.11 114.00 2dmu h GLN 27 Ca 0.07 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2dmu h GLN 27 Cb 0.66 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2dmu h GLN 27 CO 0.05 0.60 0.06 1.05 -0.95 0.00 0.00 178.83 179.64 2dmu h GLU 28 N -0.09 0.58 -5.02 1.46 4.11 -1.38 -3.44 114.58 110.80 2dmu h GLU 28 Ca 0.03 -0.15 -0.37 0.00 0.07 0.00 0.00 59.36 58.93 2dmu h GLU 28 Cb 0.52 -0.07 -0.23 0.00 0.50 0.00 0.00 28.75 29.47 2dmu h GLU 28 CO 0.02 0.65 -0.77 -0.08 0.07 0.00 0.00 179.01 178.90 2dmu s THR 29 N -5.21 0.88 -0.02 -1.06 -1.32 -0.33 -5.06 115.64 103.53 2dmu s THR 29 Ca -0.13 -1.05 -0.19 0.00 -1.21 0.00 0.00 61.69 59.11 2dmu s THR 29 Cb 0.09 -0.85 -0.33 0.00 -1.51 0.00 0.00 72.50 69.90 2dmu s THR 29 CO 0.76 -0.17 0.90 0.11 -2.21 0.00 0.00 174.62 174.02 2dmu h LYS 30 N 4.70 0.40 -3.67 7.08 1.79 -1.82 -3.33 116.57 121.71 2dmu h LYS 30 Ca -0.37 -0.68 -0.58 0.00 -2.18 0.00 0.00 60.65 56.83 2dmu h LYS 30 Cb 1.19 0.25 -0.40 0.00 -1.58 0.00 0.00 32.23 31.70 2dmu h LYS 30 CO 0.42 1.33 -0.76 0.71 -1.08 0.00 0.00 179.45 180.07 2dmu s TYR 31 N -2.51 1.78 1.12 -1.35 1.51 -1.26 -4.97 117.35 111.67 2dmu s TYR 31 Ca -0.12 -1.70 -0.16 0.00 -1.01 0.00 0.00 57.07 54.08 2dmu s TYR 31 Cb 0.03 -1.68 0.25 0.00 -0.11 0.00 0.00 41.96 40.44 2dmu s TYR 31 CO 0.88 -0.84 1.10 -1.25 -1.11 0.00 0.00 175.55 174.33 2dmu s PRO 32 N 1.59 -0.59 0.14 -1.71 0.04 -1.26 -5.07 135.00 128.14 2dmu s PRO 32 Ca 0.07 0.17 0.06 0.00 0.04 0.00 0.00 61.00 61.34 2dmu s PRO 32 Cb -0.17 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2dmu s PRO 32 CO -0.21 -3.34 0.01 -0.51 0.04 0.00 0.00 177.00 172.99 2dmu s ASP 33 N -3.70 4.93 0.31 6.66 1.01 -1.26 -4.97 116.67 119.65 2dmu s ASP 33 Ca 0.69 -0.28 0.06 0.00 0.71 0.00 0.00 52.55 53.73 2dmu s ASP 33 Cb -0.14 -1.12 0.86 0.00 1.01 0.00 0.00 42.92 43.53 2dmu s ASP 33 CO 0.57 0.12 1.63 1.62 0.21 0.00 0.00 175.17 179.32 2dmu h VAL 34 N 2.62 0.22 -0.76 -1.27 3.04 -1.99 0.42 116.25 118.54 2dmu h VAL 34 Ca -0.47 -0.06 0.06 0.00 -1.01 0.00 0.00 66.70 65.22 2dmu h VAL 34 Cb 1.19 0.04 -0.06 0.00 -2.01 0.00 0.00 31.29 30.45 2dmu h VAL 34 CO 0.59 0.03 0.45 1.23 -1.01 0.00 0.00 177.57 178.86 2dmu h GLY 35 N 0.17 1.14 1.00 3.17 0.00 -2.00 -1.21 103.07 105.34 2dmu h GLY 35 Ca 0.63 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.47 2dmu h GLY 35 CO -0.71 0.20 -0.58 -0.84 0.00 0.00 0.00 176.54 174.62 2dmu h THR 36 N 0.82 1.32 0.30 4.70 2.02 -0.65 -3.20 112.91 118.22 2dmu h THR 36 Ca 0.34 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.69 2dmu h THR 36 Cb 0.19 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2dmu h THR 36 CO -0.18 0.57 -0.36 0.03 0.37 0.00 0.00 175.52 175.95 2dmu h ARG 37 N 0.33 -0.68 -0.63 6.66 3.08 -0.63 0.79 114.38 123.30 2dmu h ARG 37 Ca -0.03 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.18 2dmu h ARG 37 Cb 1.21 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 31.29 2dmu h ARG 37 CO 0.12 -0.45 -0.28 0.93 -1.07 0.00 0.00 179.97 179.22 2dmu h GLU 38 N -0.70 -0.10 0.62 0.04 5.08 -1.32 0.96 114.58 119.16 2dmu h GLU 38 Ca -0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2dmu h GLU 38 Cb 0.65 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2dmu h GLU 38 CO -0.10 -0.07 -0.30 1.96 -1.00 0.00 0.00 179.01 179.51 2dmu h GLN 39 N -0.10 -0.81 -0.72 2.33 4.20 -1.48 -2.88 115.11 115.65 2dmu h GLN 39 Ca 0.27 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.19 2dmu h GLN 39 Cb 0.54 0.18 -0.13 0.00 0.30 0.00 0.00 27.48 28.37 2dmu h GLN 39 CO -0.70 -0.53 -0.11 1.25 -0.67 0.00 0.00 178.83 178.08 2dmu h LEU 40 N -0.87 -0.54 -0.01 1.46 5.85 -0.02 0.13 115.31 121.31 2dmu h LEU 40 Ca -0.09 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2dmu h LEU 40 Cb 0.65 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2dmu h LEU 40 CO 0.14 -0.21 -0.21 0.00 -0.34 0.00 0.00 178.44 177.82 2dmu h ALA 41 N 1.71 -0.66 -0.94 1.25 0.00 -0.70 0.23 119.26 120.16 2dmu h ALA 41 Ca 0.37 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.45 2dmu h ALA 41 Cb 0.59 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2dmu h ALA 41 CO -0.70 -0.72 0.61 0.00 0.00 0.00 0.00 179.25 178.44 2dmu h ARG 42 N -0.25 0.48 -0.56 0.00 3.08 -1.20 0.68 114.38 116.60 2dmu h ARG 42 Ca 0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2dmu h ARG 42 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2dmu h ARG 42 CO -0.14 0.31 0.16 -0.22 -1.07 0.00 0.00 179.97 179.01 2dmu h LYS 43 N 0.49 0.88 -0.51 0.04 1.63 0.20 -2.56 116.57 116.75 2dmu h LYS 43 Ca 0.50 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 2dmu h LYS 43 Cb 1.14 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2dmu h LYS 43 CO -0.23 0.81 0.00 1.33 -3.45 0.00 0.00 179.45 177.92 2dmu n VAL 44 N -4.42 0.68 -3.60 2.00 0.24 0.71 -4.94 118.33 109.00 2dmu n VAL 44 Ca 0.03 -0.73 -0.21 0.00 -2.04 0.00 0.00 64.34 61.39 2dmu n VAL 44 Cb 0.22 0.47 0.06 0.00 -1.47 0.00 0.00 33.84 33.12 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 1.15 -2.21 -4.41 6.34 8.25 0.21 -4.82 115.22 119.72 2dmu n HIS 45 Ca 0.19 0.91 -0.22 0.00 -0.26 0.00 0.00 57.72 58.34 2dmu n HIS 45 Cb 0.49 -4.73 -0.09 0.00 1.12 0.00 0.00 29.99 26.78 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 -6.71 1.85 -0.15 2.41 1.43 0.31 -4.98 118.68 112.84 2dmu s LEU 46 Ca 0.16 -1.64 -0.08 0.00 -1.03 0.00 0.00 54.13 51.55 2dmu s LEU 46 Cb -0.08 0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 2dmu s LEU 46 CO 0.77 -0.93 0.11 -0.13 0.23 0.00 0.00 176.35 176.41 2dmu s ARG 47 N -3.71 3.73 0.21 1.70 0.52 -1.26 -3.91 118.95 116.23 2dmu s ARG 47 Ca 0.31 -0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 55.19 2dmu s ARG 47 Cb 0.04 -3.24 0.26 0.00 0.52 0.00 0.00 34.95 32.53 2dmu s ARG 47 CO 0.18 0.54 1.33 0.39 0.02 0.00 0.00 175.30 177.76 2dmu n GLU 48 N 2.73 -0.16 -0.15 3.54 4.71 -1.26 0.67 120.64 130.71 2dmu n GLU 48 Ca -0.18 1.32 -0.04 0.00 -0.01 0.00 0.00 57.16 58.25 2dmu n GLU 48 Cb 0.53 -1.96 0.02 0.00 -1.01 0.00 0.00 31.44 29.03 2dmu n GLU 48 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2dmu h GLU 49 N 0.00 -0.09 -0.28 3.49 4.81 -1.98 -1.02 114.58 119.51 2dmu h GLU 49 Ca 0.33 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 2dmu h GLU 49 Cb 0.55 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2dmu h GLU 49 CO -0.86 -0.06 0.11 0.87 -0.73 0.00 0.00 179.01 178.34 2dmu h LYS 50 N -0.10 0.24 -0.54 1.92 1.79 -0.16 -2.30 116.57 117.42 2dmu h LYS 50 Ca 0.23 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.79 2dmu h LYS 50 Cb 0.45 -0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 30.95 2dmu h LYS 50 CO -0.55 0.16 -0.14 0.28 -1.08 0.00 0.00 179.45 178.11 2dmu h VAL 51 N 0.24 0.45 -0.61 0.50 2.07 0.01 -0.55 116.25 118.36 2dmu h VAL 51 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 2dmu h VAL 51 Cb 0.08 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2dmu h VAL 51 CO -0.12 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 177.77 2dmu h GLU 52 N -0.01 0.73 -0.31 1.57 4.81 -0.99 -3.00 114.58 117.38 2dmu h GLU 52 Ca 0.26 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 2dmu h GLU 52 Cb 0.40 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 2dmu h GLU 52 CO -0.56 0.48 -0.54 0.28 -0.73 0.00 0.00 179.01 177.93 2dmu h VAL 53 N 0.75 0.00 -0.65 0.32 2.07 -0.55 -1.09 116.25 117.10 2dmu h VAL 53 Ca 0.24 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.88 2dmu h VAL 53 Cb 0.01 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.65 2dmu h VAL 53 CO -0.09 0.00 -0.30 -0.25 0.02 0.00 0.00 177.57 176.94 2dmu h TRP 54 N -0.45 -0.81 -0.63 1.57 7.01 -1.35 0.15 115.95 121.44 2dmu h TRP 54 Ca 0.06 0.07 0.12 0.00 2.11 0.00 0.00 58.89 61.25 2dmu h TRP 54 Cb 0.61 0.45 -0.09 0.00 -2.10 0.00 0.00 29.16 28.04 2dmu h TRP 54 CO -0.68 -0.37 0.16 0.74 -2.79 0.00 0.00 178.44 175.50 2dmu h PHE 55 N -0.11 0.26 -0.49 2.65 -1.00 -1.23 0.16 116.94 117.18 2dmu h PHE 55 Ca 0.27 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.09 2dmu h PHE 55 Cb 0.55 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 2dmu h PHE 55 CO -0.64 -0.01 0.31 0.87 -1.61 0.00 0.00 178.31 177.23 2dmu h LYS 56 N 0.30 0.65 0.04 1.51 1.57 0.41 0.20 116.57 121.25 2dmu h LYS 56 Ca 0.33 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2dmu h LYS 56 Cb 0.50 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2dmu h LYS 56 CO -0.40 0.45 -0.02 -0.91 -0.57 0.00 0.00 179.45 177.99 2dmu h ASN 57 N 0.66 -0.05 0.76 0.86 2.35 0.17 -2.14 115.58 118.18 2dmu h ASN 57 Ca 0.18 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 2dmu h ASN 57 Cb -0.05 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.34 2dmu h ASN 57 CO -0.04 -0.03 -0.36 0.03 -1.65 0.00 0.00 177.43 175.38 2dmu h ARG 58 N -0.07 -0.98 -0.97 0.81 2.47 -0.84 -2.79 114.38 112.02 2dmu h ARG 58 Ca -0.01 0.07 0.31 0.00 -1.26 0.00 0.00 59.98 59.09 2dmu h ARG 58 Cb 0.05 0.22 -0.17 0.00 -1.65 0.00 0.00 29.97 28.43 2dmu h ARG 58 CO 0.01 -0.64 0.27 -0.09 0.56 0.00 0.00 179.97 180.09 2dmu h ARG 59 N -1.18 0.08 -0.63 0.04 2.43 -0.62 1.35 114.38 115.84 2dmu h ARG 59 Ca -0.10 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2dmu h ARG 59 Cb 0.80 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2dmu h ARG 59 CO 0.17 0.05 0.28 0.00 -1.51 0.00 0.00 179.97 178.96 2dmu h ALA 60 N 1.93 1.31 0.03 2.80 0.00 -1.26 -2.58 119.26 121.49 2dmu h ALA 60 Ca 0.67 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 55.22 2dmu h ALA 60 Cb 1.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2dmu h ALA 60 CO -0.79 0.53 -0.99 0.87 0.00 0.00 0.00 179.25 178.87 2dmu h LYS 61 N 0.90 0.23 -0.54 0.00 1.57 0.18 -3.10 116.57 115.82 2dmu h LYS 61 Ca 0.22 -0.30 0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2dmu h LYS 61 Cb 0.13 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 2dmu h LYS 61 CO -0.03 1.05 0.07 2.35 -0.57 0.00 0.00 179.45 182.33 2dmu h TRP 62 N 0.11 0.10 -0.03 -1.35 7.01 0.05 0.24 115.95 122.08 2dmu h TRP 62 Ca -0.07 0.04 -0.13 0.00 2.11 0.00 0.00 58.89 60.83 2dmu h TRP 62 Cb 1.66 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 28.74 2dmu h TRP 62 CO 0.04 -0.06 -0.59 0.07 -2.79 0.00 0.00 178.44 175.11 2dmu h ARG 63 N 0.20 0.10 -0.37 2.65 0.11 -1.61 -3.18 114.38 112.29 2dmu h ARG 63 Ca 0.28 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 60.26 2dmu h ARG 63 Cb 0.40 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 2dmu h ARG 63 CO -0.39 0.66 0.13 0.00 0.10 0.00 0.00 179.97 180.47 2dmu h ARG 64 N 0.08 0.56 -3.91 0.08 3.08 -1.01 -3.43 114.38 109.82 2dmu h ARG 64 Ca -0.01 -0.11 -0.40 0.00 0.07 0.00 0.00 59.98 59.54 2dmu h ARG 64 Cb 1.06 -0.09 -0.34 0.00 0.08 0.00 0.00 29.97 30.68 2dmu h ARG 64 CO 0.08 0.55 -0.77 0.45 -1.07 0.00 0.00 179.97 179.22 2dmu s SER 65 N -5.85 0.92 0.00 7.04 0.15 -0.10 -4.85 113.70 111.01 2dmu s SER 65 Ca -0.13 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2dmu s SER 65 Cb 0.10 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2dmu s SER 65 CO 0.75 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.72 2dmu n GLY 66 N 4.21 0.79 0.03 9.45 0.00 -1.26 -4.52 105.19 113.90 2dmu n GLY 66 Ca -0.23 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.66 2dmu n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmu n PRO 67 N 0.00 0.04 -0.31 1.61 -0.04 -1.26 -3.61 135.00 131.43 2dmu n PRO 67 Ca 0.00 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2dmu n PRO 67 Cb 0.00 -1.58 0.21 0.00 -0.04 0.00 0.00 33.50 32.09 2dmu n PRO 67 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dmu h SER 68 N 0.00 -0.48 -4.32 3.54 0.02 -1.89 -3.39 113.55 107.03 2dmu h SER 68 Ca 0.00 0.25 -0.49 0.00 -0.84 0.00 0.00 61.79 60.71 2dmu h SER 68 Cb 0.27 0.44 -0.24 0.00 0.14 0.00 0.00 62.40 63.01 2dmu h SER 68 CO 0.00 -0.28 -0.81 -0.94 -1.14 0.00 0.00 176.83 173.67 2dmu s SER 69 N -5.12 2.00 0.00 3.07 1.04 -1.24 -5.19 113.70 108.26 2dmu s SER 69 Ca -0.13 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.77 2dmu s SER 69 Cb 0.26 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 66.35 2dmu s SER 69 CO 0.77 0.05 0.59 0.61 0.98 0.00 0.00 173.24 176.24