#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 -0.20 -3.27 1.61 0.87 -2.04 -3.41 113.55 107.12 2dmu h SER 2 Ca 0.00 -0.32 -0.74 0.00 -1.23 0.00 0.00 61.79 59.51 2dmu h SER 2 Cb 0.00 0.05 -0.22 0.00 -0.44 0.00 0.00 62.40 61.79 2dmu h SER 2 CO 0.00 0.27 -0.27 -0.94 -0.53 0.00 0.00 176.83 175.36 2dmu s SER 3 N -5.38 6.16 0.00 6.23 1.04 -1.26 -4.97 113.70 115.52 2dmu s SER 3 Ca -0.14 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 54.95 2dmu s SER 3 Cb 0.01 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2dmu s SER 3 CO 0.54 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2dmu n GLY 4 N 5.21 2.74 0.10 7.32 0.00 -1.26 -5.03 105.19 114.27 2dmu n GLY 4 Ca -0.12 -1.46 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 2dmu n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmu n SER 5 N 0.00 1.86 -3.86 1.61 3.41 -1.26 -5.00 113.62 110.38 2dmu n SER 5 Ca 0.00 0.46 -0.12 0.00 -0.26 0.00 0.00 58.87 58.96 2dmu n SER 5 Cb 0.00 -0.91 -0.12 0.00 -0.26 0.00 0.00 64.21 62.92 2dmu n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmu s SER 6 N -6.60 -0.05 0.98 4.04 1.04 -1.26 -5.16 113.70 106.69 2dmu s SER 6 Ca -0.26 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2dmu s SER 6 Cb 0.06 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2dmu s SER 6 CO 0.47 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2dmu n GLY 7 N 2.43 -1.50 3.49 7.32 0.00 -1.26 -5.11 105.19 110.55 2dmu n GLY 7 Ca -0.16 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 2dmu n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dmu s ARG 8 N -2.93 1.74 0.00 1.61 3.03 -1.26 -5.17 118.95 115.98 2dmu s ARG 8 Ca 0.00 -1.60 0.06 0.00 2.03 0.00 0.00 55.73 56.22 2dmu s ARG 8 Cb 0.00 0.44 -0.03 0.00 -1.03 0.00 0.00 34.95 34.33 2dmu s ARG 8 CO 0.00 -0.71 -0.19 1.03 -1.13 0.00 0.00 175.30 174.30 2dmu s ARG 9 N -3.43 2.19 0.13 3.89 3.00 -1.26 -5.09 118.95 118.39 2dmu s ARG 9 Ca 0.29 -0.90 -0.31 0.00 0.00 0.00 0.00 55.73 54.81 2dmu s ARG 9 Cb 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 34.95 32.64 2dmu s ARG 9 CO 0.16 0.57 1.84 -1.01 0.00 0.00 0.00 175.30 176.86 2dmu s HIS 10 N -0.81 2.17 0.06 -0.53 3.76 -1.26 -4.91 115.29 113.77 2dmu s HIS 10 Ca 0.13 -0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 54.70 2dmu s HIS 10 Cb -0.10 -4.20 -0.18 0.00 1.11 0.00 0.00 32.58 29.21 2dmu s HIS 10 CO 0.03 -4.92 1.54 0.00 -0.85 0.00 0.00 174.74 170.54 2dmu h ARG 11 N 8.49 -0.73 -6.08 1.40 2.47 -2.08 -3.43 114.38 114.43 2dmu h ARG 11 Ca -0.46 0.05 -0.63 0.00 -1.26 0.00 0.00 59.98 57.67 2dmu h ARG 11 Cb 1.22 0.16 -0.30 0.00 -1.65 0.00 0.00 29.97 29.40 2dmu h ARG 11 CO 0.95 -0.45 -0.87 0.99 0.56 0.00 0.00 179.97 181.15 2dmu s THR 12 N -5.76 1.77 0.90 2.04 2.01 -1.26 -5.14 115.64 110.20 2dmu s THR 12 Ca -0.16 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 2dmu s THR 12 Cb 0.03 -1.48 0.13 0.00 0.01 0.00 0.00 72.50 71.20 2dmu s THR 12 CO 0.60 0.50 1.14 0.27 -0.69 0.00 0.00 174.62 176.44 2dmu s ILE 13 N -0.41 2.00 0.16 1.82 -5.25 -1.26 -5.04 121.20 113.22 2dmu s ILE 13 Ca 0.05 0.00 -0.14 0.00 -0.99 0.00 0.00 60.65 59.57 2dmu s ILE 13 Cb -0.10 -2.77 -0.07 0.00 2.95 0.00 0.00 42.46 42.47 2dmu s ILE 13 CO 0.00 0.00 0.56 -0.36 -1.79 0.00 0.00 174.94 173.35 2dmu s PHE 14 N -3.31 3.58 0.84 1.37 0.40 -1.26 -5.07 117.98 114.53 2dmu s PHE 14 Ca 0.64 1.06 -0.11 0.00 -0.60 0.00 0.00 56.93 57.91 2dmu s PHE 14 Cb -0.14 -2.37 0.10 0.00 0.51 0.00 0.00 43.02 41.11 2dmu s PHE 14 CO 0.53 0.40 1.09 0.95 0.70 0.00 0.00 175.22 178.89 2dmu s THR 15 N -1.52 2.93 0.18 0.64 -4.23 -1.26 -4.78 115.64 107.60 2dmu s THR 15 Ca 0.39 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 2dmu s THR 15 Cb -0.15 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 70.91 2dmu s THR 15 CO 0.19 -0.40 1.71 -2.24 -0.54 0.00 0.00 174.62 173.35 2dmu h ASP 16 N -1.32 -0.03 0.07 3.99 2.03 -1.99 -0.77 116.42 118.40 2dmu h ASP 16 Ca -0.48 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2dmu h ASP 16 Cb 1.27 0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.89 2dmu h ASP 16 CO 0.55 0.02 -0.06 -0.08 -1.03 0.00 0.00 179.24 178.64 2dmu h GLU 17 N 0.20 -0.14 -0.54 4.15 4.81 -1.99 0.23 114.58 121.31 2dmu h GLU 17 Ca 0.23 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 2dmu h GLU 17 Cb 0.30 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 2dmu h GLU 17 CO -0.31 -0.09 0.15 1.96 -0.73 0.00 0.00 179.01 179.98 2dmu h GLN 18 N -0.14 0.29 -0.29 1.92 4.20 -1.75 -1.29 115.11 118.05 2dmu h GLN 18 Ca 0.00 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2dmu h GLN 18 Cb 0.13 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2dmu h GLN 18 CO -0.01 0.19 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.23 2dmu h LEU 19 N 0.30 0.53 -0.17 1.46 3.38 -0.89 -2.44 115.31 117.48 2dmu h LEU 19 Ca 0.27 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2dmu h LEU 19 Cb 0.36 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2dmu h LEU 19 CO -0.33 0.75 -0.32 -0.08 0.09 0.00 0.00 178.44 178.55 2dmu h GLU 20 N 0.30 -0.36 -0.13 1.13 4.81 0.14 0.17 114.58 120.64 2dmu h GLU 20 Ca 0.08 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2dmu h GLU 20 Cb 0.50 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2dmu h GLU 20 CO 0.02 -0.24 -0.03 0.00 -0.73 0.00 0.00 179.01 178.03 2dmu h ALA 21 N 0.46 0.09 0.36 2.92 0.00 -1.27 0.74 119.26 122.57 2dmu h ALA 21 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2dmu h ALA 21 Cb 0.54 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dmu h ALA 21 CO -0.38 -0.48 -0.37 -0.07 0.00 0.00 0.00 179.25 177.95 2dmu h LEU 22 N 0.00 -1.01 -1.88 0.00 3.38 -0.90 -0.63 115.31 114.28 2dmu h LEU 22 Ca 0.06 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.29 2dmu h LEU 22 Cb 0.10 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2dmu h LEU 22 CO -0.14 -0.48 0.47 -0.33 0.09 0.00 0.00 178.44 178.05 2dmu h GLU 23 N -0.72 0.11 0.00 1.13 5.08 -0.62 0.38 114.58 119.94 2dmu h GLU 23 Ca -0.05 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2dmu h GLU 23 Cb 0.63 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2dmu h GLU 23 CO -0.05 0.08 -0.41 -0.91 -1.00 0.00 0.00 179.01 176.72 2dmu h ASN 24 N 0.12 0.00 0.01 1.42 2.35 -0.03 -0.98 115.58 118.47 2dmu h ASN 24 Ca 0.32 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.87 2dmu h ASN 24 Cb 1.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 2dmu h ASN 24 CO -0.04 0.41 -1.12 0.25 -1.65 0.00 0.00 177.43 175.28 2dmu h LEU 25 N 0.00 0.03 -1.49 1.61 5.85 0.11 -3.26 115.31 118.16 2dmu h LEU 25 Ca -0.00 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 2dmu h LEU 25 Cb 0.80 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2dmu h LEU 25 CO 0.05 1.44 0.27 0.15 -0.34 0.00 0.00 178.44 180.01 2dmu h PHE 26 N -0.94 0.59 -0.15 1.25 3.57 -0.81 0.15 116.94 120.60 2dmu h PHE 26 Ca -0.30 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 2dmu h PHE 26 Cb 1.30 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2dmu h PHE 26 CO 0.12 0.40 0.03 1.96 -2.23 0.00 0.00 178.31 178.59 2dmu h GLN 27 N 0.62 0.24 -0.35 1.11 1.08 -1.34 -3.07 115.11 113.41 2dmu h GLN 27 Ca 0.16 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.18 2dmu h GLN 27 Cb -0.01 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2dmu h GLN 27 CO -0.03 0.41 -0.27 1.05 -0.95 0.00 0.00 178.83 179.04 2dmu h GLU 28 N 0.03 0.72 -3.60 1.46 4.11 -1.51 -3.44 114.58 112.35 2dmu h GLU 28 Ca 0.05 -0.31 -0.27 0.00 0.07 0.00 0.00 59.36 58.90 2dmu h GLU 28 Cb 0.28 -0.02 -0.31 0.00 0.50 0.00 0.00 28.75 29.19 2dmu h GLU 28 CO 0.00 0.91 -0.72 -0.08 0.07 0.00 0.00 179.01 179.19 2dmu s THR 29 N -4.51 -0.03 0.10 -1.06 -1.32 0.01 -5.05 115.64 103.77 2dmu s THR 29 Ca -0.09 0.13 -0.16 0.00 -1.21 0.00 0.00 61.69 60.36 2dmu s THR 29 Cb 0.13 -0.06 -0.07 0.00 -1.51 0.00 0.00 72.50 71.00 2dmu s THR 29 CO 0.83 0.05 1.49 0.11 -2.21 0.00 0.00 174.62 174.89 2dmu h LYS 30 N 6.81 0.61 -4.34 7.08 1.79 -1.83 -3.32 116.57 123.37 2dmu h LYS 30 Ca -0.37 -0.24 -0.63 0.00 -2.18 0.00 0.00 60.65 57.23 2dmu h LYS 30 Cb 1.16 -0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 31.38 2dmu h LYS 30 CO 0.49 0.81 -0.74 0.71 -1.08 0.00 0.00 179.45 179.63 2dmu s TYR 31 N -4.73 2.99 1.19 -1.35 2.02 -1.26 -4.94 117.35 111.27 2dmu s TYR 31 Ca -0.13 -2.45 -0.19 0.00 -0.37 0.00 0.00 57.07 53.93 2dmu s TYR 31 Cb 0.09 -2.35 0.28 0.00 -0.40 0.00 0.00 41.96 39.58 2dmu s TYR 31 CO 0.79 -0.90 1.11 -1.25 -1.57 0.00 0.00 175.55 173.73 2dmu s PRO 32 N 1.18 -1.16 0.50 -1.71 0.04 -1.26 -5.09 135.00 127.49 2dmu s PRO 32 Ca 0.07 -0.04 0.05 0.00 0.04 0.00 0.00 61.00 61.12 2dmu s PRO 32 Cb -0.19 -1.60 -0.00 0.00 0.04 0.00 0.00 34.50 32.75 2dmu s PRO 32 CO -0.12 -3.68 0.23 0.34 0.04 0.00 0.00 177.00 173.81 2dmu s ASP 33 N -3.87 4.44 0.24 6.66 2.15 -1.26 -4.98 116.67 120.04 2dmu s ASP 33 Ca 0.71 -1.31 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 2dmu s ASP 33 Cb -0.10 0.19 0.26 0.00 -0.30 0.00 0.00 42.92 42.96 2dmu s ASP 33 CO 0.56 -0.87 1.70 1.62 -0.17 0.00 0.00 175.17 178.01 2dmu h VAL 34 N 1.11 1.26 -0.66 1.11 3.04 -1.98 -0.01 116.25 120.12 2dmu h VAL 34 Ca -0.41 -1.14 -0.04 0.00 -1.01 0.00 0.00 66.70 64.11 2dmu h VAL 34 Cb 1.29 0.99 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 2dmu h VAL 34 CO 0.66 0.39 0.26 1.23 -1.01 0.00 0.00 177.57 179.10 2dmu h GLY 35 N 0.98 1.03 0.93 3.17 0.00 -1.99 0.52 103.07 107.71 2dmu h GLY 35 Ca 0.13 -0.53 -0.27 0.00 0.00 0.00 0.00 47.33 46.66 2dmu h GLY 35 CO 0.03 0.51 -1.20 -0.84 0.00 0.00 0.00 176.54 175.04 2dmu h THR 36 N 0.94 1.35 0.03 4.70 2.02 -1.92 -3.17 112.91 116.86 2dmu h THR 36 Ca 0.22 -2.60 -0.00 0.00 0.77 0.00 0.00 66.41 64.80 2dmu h THR 36 Cb 0.18 3.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 2dmu h THR 36 CO -0.02 0.76 -0.02 0.03 0.37 0.00 0.00 175.52 176.65 2dmu h ARG 37 N -0.12 -0.04 -0.14 6.66 3.08 -0.92 0.20 114.38 123.10 2dmu h ARG 37 Ca -0.22 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.89 2dmu h ARG 37 Cb 1.91 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.91 2dmu h ARG 37 CO 0.20 0.09 -0.23 0.93 -1.07 0.00 0.00 179.97 179.89 2dmu h GLU 38 N -0.17 -0.28 0.40 0.04 4.39 -1.03 0.17 114.58 118.09 2dmu h GLU 38 Ca -0.00 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2dmu h GLU 38 Cb 0.16 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2dmu h GLU 38 CO 0.01 -0.19 -0.19 1.96 -1.16 0.00 0.00 179.01 179.44 2dmu h GLN 39 N -0.29 -0.51 -0.84 2.33 1.08 -1.51 -2.96 115.11 112.42 2dmu h GLN 39 Ca 0.10 0.04 0.19 0.00 -1.45 0.00 0.00 58.65 57.53 2dmu h GLN 39 Cb 0.44 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.87 2dmu h GLN 39 CO -0.31 -0.25 0.31 1.25 -0.95 0.00 0.00 178.83 178.88 2dmu h LEU 40 N -0.71 0.22 0.10 1.46 5.85 -0.38 0.86 115.31 122.70 2dmu h LEU 40 Ca -0.05 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2dmu h LEU 40 Cb 0.50 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2dmu h LEU 40 CO 0.09 -0.00 -0.17 0.00 -0.34 0.00 0.00 178.44 178.01 2dmu h ALA 41 N 1.66 -0.79 -0.44 1.25 0.00 -0.54 0.49 119.26 120.89 2dmu h ALA 41 Ca 0.50 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.48 2dmu h ALA 41 Cb 0.90 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2dmu h ALA 41 CO -0.51 -0.82 0.31 0.00 0.00 0.00 0.00 179.25 178.23 2dmu h ARG 42 N -0.30 0.01 -0.43 0.00 3.08 -1.28 0.18 114.38 115.64 2dmu h ARG 42 Ca -0.01 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2dmu h ARG 42 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2dmu h ARG 42 CO -0.06 0.01 -0.11 -0.22 -1.07 0.00 0.00 179.97 178.52 2dmu h LYS 43 N 0.01 0.77 -0.71 0.04 1.63 -0.07 -2.66 116.57 115.59 2dmu h LYS 43 Ca 0.21 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2dmu h LYS 43 Cb 0.82 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2dmu h LYS 43 CO -0.00 0.85 0.00 1.33 -3.45 0.00 0.00 179.45 178.18 2dmu n VAL 44 N -4.17 1.36 -3.46 2.00 0.24 0.09 -4.95 118.33 109.44 2dmu n VAL 44 Ca 0.01 -1.08 -0.19 0.00 -2.04 0.00 0.00 64.34 61.04 2dmu n VAL 44 Cb 0.36 0.34 0.09 0.00 -1.47 0.00 0.00 33.84 33.16 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 1.46 -2.35 -4.37 6.34 8.25 -0.02 -4.80 115.22 119.73 2dmu n HIS 45 Ca 0.25 0.95 -0.20 0.00 -0.26 0.00 0.00 57.72 58.46 2dmu n HIS 45 Cb 0.74 -5.06 -0.09 0.00 1.12 0.00 0.00 29.99 26.71 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 -6.57 1.77 -0.20 2.41 1.43 0.41 -4.98 118.68 112.95 2dmu s LEU 46 Ca 0.14 -1.63 -0.09 0.00 -1.03 0.00 0.00 54.13 51.53 2dmu s LEU 46 Cb -0.06 0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.31 2dmu s LEU 46 CO 0.73 -0.93 0.11 -0.13 0.23 0.00 0.00 176.35 176.35 2dmu s ARG 47 N -3.72 4.05 0.25 1.70 1.81 -1.26 -3.59 118.95 118.20 2dmu s ARG 47 Ca 0.34 -0.29 0.05 0.00 -1.72 0.00 0.00 55.73 54.11 2dmu s ARG 47 Cb 0.04 -3.36 0.71 0.00 -0.45 0.00 0.00 34.95 31.89 2dmu s ARG 47 CO 0.19 0.21 1.22 -1.91 -0.68 0.00 0.00 175.30 174.33 2dmu n GLU 48 N 3.77 -0.06 -0.22 3.54 0.00 -1.26 0.22 120.64 126.63 2dmu n GLU 48 Ca -0.16 1.14 -0.02 0.00 0.00 0.00 0.00 57.16 58.13 2dmu n GLU 48 Cb 0.52 -1.87 0.09 0.00 0.00 0.00 0.00 31.44 30.18 2dmu n GLU 48 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2dmu h GLU 49 N 0.00 0.59 -0.31 5.31 4.11 -1.95 -2.34 114.58 119.99 2dmu h GLU 49 Ca 0.52 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.85 2dmu h GLU 49 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2dmu h GLU 49 CO -0.70 0.39 -0.06 0.87 0.07 0.00 0.00 179.01 179.58 2dmu h LYS 50 N 0.61 0.59 -0.86 1.06 1.79 0.23 -2.97 116.57 117.01 2dmu h LYS 50 Ca 0.29 -0.22 0.21 0.00 -2.18 0.00 0.00 60.65 58.75 2dmu h LYS 50 Cb 0.22 -0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 30.71 2dmu h LYS 50 CO -0.20 0.77 0.34 0.28 -1.08 0.00 0.00 179.45 179.56 2dmu h VAL 51 N 0.36 0.48 -0.51 0.50 2.07 -0.69 0.10 116.25 118.56 2dmu h VAL 51 Ca 0.08 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2dmu h VAL 51 Cb 0.54 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2dmu h VAL 51 CO 0.03 0.07 0.04 -0.08 0.02 0.00 0.00 177.57 177.64 2dmu h GLU 52 N 0.37 0.88 -0.59 1.57 4.57 -1.37 -3.15 114.58 116.86 2dmu h GLU 52 Ca 0.53 -0.26 0.11 0.00 -1.18 0.00 0.00 59.36 58.56 2dmu h GLU 52 Cb 0.99 -0.09 -0.11 0.00 -0.16 0.00 0.00 28.75 29.37 2dmu h GLU 52 CO -0.53 0.89 -0.32 0.28 -1.18 0.00 0.00 179.01 178.14 2dmu h VAL 53 N 0.75 0.18 -0.66 0.32 2.07 -0.65 0.66 116.25 118.92 2dmu h VAL 53 Ca 0.15 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.80 2dmu h VAL 53 Cb 0.47 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.32 2dmu h VAL 53 CO 0.02 0.00 0.16 -0.25 0.02 0.00 0.00 177.57 177.52 2dmu h TRP 54 N -0.16 0.26 -0.94 1.57 7.01 -1.47 0.09 115.95 122.31 2dmu h TRP 54 Ca 0.24 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.35 2dmu h TRP 54 Cb 0.55 -0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.53 2dmu h TRP 54 CO -0.63 -0.03 0.59 0.74 -2.79 0.00 0.00 178.44 176.32 2dmu h PHE 55 N 0.29 1.09 0.38 2.65 -1.00 -0.93 -1.92 116.94 117.49 2dmu h PHE 55 Ca 0.35 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.15 2dmu h PHE 55 Cb 0.55 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.76 2dmu h PHE 55 CO -0.24 0.53 -0.18 0.87 -1.61 0.00 0.00 178.31 177.68 2dmu h LYS 56 N 1.05 -0.49 -0.77 1.51 6.56 -0.13 0.15 116.57 124.45 2dmu h LYS 56 Ca 0.42 0.03 0.12 0.00 -1.06 0.00 0.00 60.65 60.16 2dmu h LYS 56 Cb 0.23 0.11 -0.08 0.00 -0.57 0.00 0.00 32.23 31.92 2dmu h LYS 56 CO -0.19 -0.32 0.37 -0.91 -2.06 0.00 0.00 179.45 176.34 2dmu h ASN 57 N -0.51 0.45 0.05 0.86 2.35 -1.02 -2.23 115.58 115.52 2dmu h ASN 57 Ca -0.05 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2dmu h ASN 57 Cb 0.39 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2dmu h ASN 57 CO 0.09 0.22 -0.02 0.03 -1.65 0.00 0.00 177.43 176.09 2dmu h ARG 58 N 0.58 -0.06 -0.94 0.81 2.47 -1.10 -3.14 114.38 113.00 2dmu h ARG 58 Ca 0.40 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 59.28 2dmu h ARG 58 Cb 0.52 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 28.69 2dmu h ARG 58 CO -0.33 0.26 -0.35 -0.09 0.56 0.00 0.00 179.97 180.02 2dmu h ARG 59 N -0.39 -0.02 -0.81 0.04 2.43 -0.11 0.66 114.38 116.19 2dmu h ARG 59 Ca -0.01 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2dmu h ARG 59 Cb 0.35 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 2dmu h ARG 59 CO 0.01 -0.01 0.45 0.00 -1.51 0.00 0.00 179.97 178.91 2dmu h ALA 60 N 1.48 1.17 -0.95 2.80 0.00 -1.48 -0.09 119.26 122.19 2dmu h ALA 60 Ca 0.36 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.36 2dmu h ALA 60 Cb 0.62 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2dmu h ALA 60 CO -0.95 0.04 0.62 -0.22 0.00 0.00 0.00 179.25 178.74 2dmu h LYS 61 N 0.73 1.13 0.01 0.00 3.11 0.34 0.24 116.57 122.13 2dmu h LYS 61 Ca 0.40 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 58.17 2dmu h LYS 61 Cb 0.42 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2dmu h LYS 61 CO -0.27 0.75 -0.01 2.35 -2.81 0.00 0.00 179.45 179.46 2dmu h TRP 62 N 1.16 -0.02 0.00 1.91 7.01 -0.23 -3.02 115.95 122.76 2dmu h TRP 62 Ca 0.39 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.39 2dmu h TRP 62 Cb 0.07 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2dmu h TRP 62 CO -0.00 0.55 0.00 2.89 -2.79 0.00 0.00 178.44 179.09 2dmu n ARG 63 N -4.82 0.83 -0.18 2.65 1.85 -0.19 -3.83 116.66 112.97 2dmu n ARG 63 Ca -0.09 0.00 0.29 0.00 -1.00 0.00 0.00 57.85 57.05 2dmu n ARG 63 Cb 0.29 -1.16 0.72 0.00 -1.05 0.00 0.00 32.46 31.26 2dmu n ARG 63 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 2dmu h ARG 64 N 0.00 0.00 0.64 2.89 0.11 -0.40 -1.81 114.38 115.82 2dmu h ARG 64 Ca 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2dmu h ARG 64 Cb 0.00 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 2dmu h ARG 64 CO 0.00 0.00 -0.31 0.77 0.10 0.00 0.00 179.97 180.53 2dmu h SER 65 N 0.00 -0.73 -4.23 0.08 0.02 -1.83 -3.45 113.55 103.41 2dmu h SER 65 Ca 0.43 -0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.78 2dmu h SER 65 Cb 1.73 0.19 -0.25 0.00 0.14 0.00 0.00 62.40 64.21 2dmu h SER 65 CO -0.01 -0.36 -0.84 -0.83 -1.14 0.00 0.00 176.83 173.65 2dmu s GLY 66 N -2.50 1.21 1.12 -3.77 0.00 -0.68 -5.12 107.32 97.59 2dmu s GLY 66 Ca -0.14 -1.16 -0.19 0.00 0.00 0.00 0.00 44.72 43.23 2dmu s GLY 66 CO 0.44 -1.10 0.99 -1.55 0.00 0.00 0.00 173.10 171.87 2dmu n PRO 67 N 1.58 -2.96 -0.29 2.90 -0.04 -1.26 -4.72 135.00 130.21 2dmu n PRO 67 Ca -0.18 -1.58 0.09 0.00 -0.04 0.00 0.00 63.50 61.79 2dmu n PRO 67 Cb 0.53 -1.48 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 2dmu n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmu h SER 68 N -2.57 -0.31 -0.29 3.54 4.64 -2.01 0.17 113.55 116.71 2dmu h SER 68 Ca -0.37 0.22 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2dmu h SER 68 Cb 1.14 0.36 -0.03 0.00 -0.31 0.00 0.00 62.40 63.56 2dmu h SER 68 CO 0.24 -0.21 0.12 0.28 -0.87 0.00 0.00 176.83 176.39 2dmu h SER 69 N 0.11 0.15 0.00 4.97 0.02 -2.02 -3.55 113.55 113.22 2dmu h SER 69 Ca 0.49 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2dmu h SER 69 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2dmu h SER 69 CO -0.73 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 175.69