#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 -1.67 -3.77 1.61 0.87 -2.11 -3.41 113.55 105.07 2dmu h SER 2 Ca 0.00 0.23 -0.68 0.00 -1.23 0.00 0.00 61.79 60.12 2dmu h SER 2 Cb 0.00 0.71 -0.19 0.00 -0.44 0.00 0.00 62.40 62.47 2dmu h SER 2 CO 0.00 -0.29 -0.79 -0.44 -0.53 0.00 0.00 176.83 174.78 2dmu s SER 3 N -4.84 3.96 -0.32 6.23 0.01 -1.26 -5.05 113.70 112.42 2dmu s SER 3 Ca -0.11 -0.48 0.11 0.00 1.31 0.00 0.00 55.95 56.78 2dmu s SER 3 Cb 0.08 -0.63 0.46 0.00 0.21 0.00 0.00 66.02 66.14 2dmu s SER 3 CO 0.52 0.21 1.13 0.61 0.41 0.00 0.00 173.24 176.11 2dmu n GLY 4 N 1.04 4.85 0.28 3.44 0.00 -1.26 -4.85 105.19 108.69 2dmu n GLY 4 Ca -0.15 -2.22 0.02 0.00 0.00 0.00 0.00 46.02 43.66 2dmu n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dmu h SER 5 N 2.46 0.55 -0.18 1.61 0.02 -1.98 -2.21 113.55 113.81 2dmu h SER 5 Ca 0.20 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 2dmu h SER 5 Cb 1.29 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 2dmu h SER 5 CO 0.64 0.32 0.01 0.28 -1.14 0.00 0.00 176.83 176.94 2dmu h SER 6 N 0.68 -0.05 -0.92 3.07 0.02 -2.06 -3.40 113.55 110.90 2dmu h SER 6 Ca 0.36 0.04 -0.47 0.00 -0.84 0.00 0.00 61.79 60.88 2dmu h SER 6 Cb 0.34 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2dmu h SER 6 CO -0.25 -0.00 1.67 0.61 -1.14 0.00 0.00 176.83 177.72 2dmu n GLY 7 N -1.17 -0.11 3.59 -3.77 0.00 -0.83 -4.90 105.19 97.99 2dmu n GLY 7 Ca -0.03 0.85 -0.29 0.00 0.00 0.00 0.00 46.02 46.55 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 8.58 -0.20 -0.06 1.61 3.03 -1.26 -5.03 118.95 125.62 2dmu s ARG 8 Ca 1.14 0.73 0.00 0.00 2.03 0.00 0.00 55.73 59.63 2dmu s ARG 8 Cb -0.62 -1.65 0.02 0.00 -1.03 0.00 0.00 34.95 31.67 2dmu s ARG 8 CO 0.35 -3.21 -0.03 1.03 -1.13 0.00 0.00 175.30 172.31 2dmu s ARG 9 N -4.70 0.85 0.08 3.89 0.52 -1.26 -5.14 118.95 113.17 2dmu s ARG 9 Ca 0.67 -0.06 0.10 0.00 -0.52 0.00 0.00 55.73 55.92 2dmu s ARG 9 Cb -0.22 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.25 2dmu s ARG 9 CO 0.61 -0.17 -0.26 -1.58 0.02 0.00 0.00 175.30 173.92 2dmu s HIS 10 N 1.34 2.34 -0.11 -0.53 2.46 -1.26 -5.12 115.29 114.40 2dmu s HIS 10 Ca -0.04 -0.39 -0.17 0.00 0.47 0.00 0.00 55.06 54.93 2dmu s HIS 10 Cb -0.13 -1.35 -0.04 0.00 -0.13 0.00 0.00 32.58 30.93 2dmu s HIS 10 CO -0.02 0.22 0.45 -0.98 -2.47 0.00 0.00 174.74 171.93 2dmu s ARG 11 N -1.56 4.29 -0.06 2.88 1.70 -1.26 -5.07 118.95 119.86 2dmu s ARG 11 Ca 0.13 0.40 -0.04 0.00 -0.47 0.00 0.00 55.73 55.75 2dmu s ARG 11 Cb -0.10 -3.41 0.03 0.00 -0.57 0.00 0.00 34.95 30.90 2dmu s ARG 11 CO 0.04 0.23 0.15 0.99 -1.08 0.00 0.00 175.30 175.62 2dmu s THR 12 N 0.41 -0.03 0.20 4.99 2.01 -1.26 -5.15 115.64 116.82 2dmu s THR 12 Ca 0.24 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 2dmu s THR 12 Cb -0.15 -0.24 -0.08 0.00 0.01 0.00 0.00 72.50 72.04 2dmu s THR 12 CO 0.10 0.05 0.72 -0.51 -0.69 0.00 0.00 174.62 174.29 2dmu s ILE 13 N 0.79 4.55 0.31 1.82 1.10 -1.26 -5.08 121.20 123.43 2dmu s ILE 13 Ca -0.06 1.35 0.08 0.00 -0.51 0.00 0.00 60.65 61.50 2dmu s ILE 13 Cb -0.08 -3.91 -0.06 0.00 0.15 0.00 0.00 42.46 38.56 2dmu s ILE 13 CO -0.04 0.28 -0.07 -0.36 -2.11 0.00 0.00 174.94 172.64 2dmu s PHE 14 N -1.43 2.17 0.26 3.50 0.40 -1.26 -5.14 117.98 116.48 2dmu s PHE 14 Ca 0.41 -0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 56.00 2dmu s PHE 14 Cb -0.18 -1.26 -0.08 0.00 0.51 0.00 0.00 43.02 42.01 2dmu s PHE 14 CO 0.22 0.41 0.62 0.95 0.70 0.00 0.00 175.22 178.12 2dmu s THR 15 N -2.83 4.84 0.21 0.64 -4.23 -1.26 -4.89 115.64 108.11 2dmu s THR 15 Ca 0.31 0.65 -0.22 0.00 -1.18 0.00 0.00 61.69 61.25 2dmu s THR 15 Cb 0.04 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.40 2dmu s THR 15 CO 0.14 -0.11 1.55 0.44 -0.54 0.00 0.00 174.62 176.10 2dmu h ASP 16 N 2.44 -1.66 -0.04 3.99 3.32 -2.01 0.14 116.42 122.61 2dmu h ASP 16 Ca -0.47 0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.93 2dmu h ASP 16 Cb 1.17 0.82 -0.05 0.00 0.22 0.00 0.00 39.33 41.49 2dmu h ASP 16 CO 0.68 -0.27 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.61 2dmu h GLU 17 N -0.01 -0.34 -0.65 3.56 4.81 -1.99 0.22 114.58 120.19 2dmu h GLU 17 Ca 0.28 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.67 2dmu h GLU 17 Cb 0.54 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.90 2dmu h GLU 17 CO -0.96 -0.22 0.09 1.96 -0.73 0.00 0.00 179.01 179.14 2dmu h GLN 18 N -0.35 0.19 -0.30 1.92 4.20 -1.13 -1.16 115.11 118.48 2dmu h GLN 18 Ca 0.07 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2dmu h GLN 18 Cb 0.45 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2dmu h GLN 18 CO -0.24 0.13 0.01 -0.07 -0.67 0.00 0.00 178.83 177.99 2dmu h LEU 19 N 0.20 0.52 -0.59 1.46 3.38 -0.31 -2.69 115.31 117.28 2dmu h LEU 19 Ca 0.35 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2dmu h LEU 19 Cb 0.56 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2dmu h LEU 19 CO -0.49 0.69 -0.33 -0.08 0.09 0.00 0.00 178.44 178.32 2dmu h GLU 20 N 0.33 -0.16 0.94 1.13 4.81 0.65 0.26 114.58 122.55 2dmu h GLU 20 Ca 0.09 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2dmu h GLU 20 Cb 0.42 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.84 2dmu h GLU 20 CO 0.01 -0.10 -0.45 0.00 -0.73 0.00 0.00 179.01 177.74 2dmu h ALA 21 N 1.00 -1.27 -0.98 2.92 0.00 -1.39 0.24 119.26 119.78 2dmu h ALA 21 Ca 0.23 -0.28 0.28 0.00 0.00 0.00 0.00 54.91 55.14 2dmu h ALA 21 Cb 0.55 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 2dmu h ALA 21 CO -0.68 -1.21 0.52 -0.07 0.00 0.00 0.00 179.25 177.82 2dmu h LEU 22 N -1.28 0.49 -0.15 0.00 3.38 -1.07 0.35 115.31 117.03 2dmu h LEU 22 Ca -0.13 0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 2dmu h LEU 22 Cb 0.97 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.85 2dmu h LEU 22 CO 0.21 -0.05 -0.79 -0.33 0.09 0.00 0.00 178.44 177.58 2dmu h GLU 23 N 0.40 0.80 -0.16 1.13 5.08 -0.25 0.29 114.58 121.88 2dmu h GLU 23 Ca 0.66 -0.66 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2dmu h GLU 23 Cb 1.39 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 2dmu h GLU 23 CO -0.56 1.26 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.67 2dmu h ASN 24 N 0.54 0.24 0.04 1.42 2.35 0.30 0.20 115.58 120.67 2dmu h ASN 24 Ca -0.06 -0.05 -0.22 0.00 -0.55 0.00 0.00 56.30 55.42 2dmu h ASN 24 Cb 1.42 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 2dmu h ASN 24 CO 0.16 0.40 -1.20 0.25 -1.65 0.00 0.00 177.43 175.39 2dmu h LEU 25 N 0.24 0.12 -2.01 1.61 5.85 -0.50 -3.28 115.31 117.35 2dmu h LEU 25 Ca 0.05 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 2dmu h LEU 25 Cb 0.38 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2dmu h LEU 25 CO 0.02 1.49 -0.01 0.15 -0.34 0.00 0.00 178.44 179.75 2dmu h PHE 26 N -0.75 0.00 -0.05 1.25 3.57 -0.39 0.10 116.94 120.67 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 1.44 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.17 2dmu h PHE 26 CO 0.13 0.01 -0.03 1.96 -2.23 0.00 0.00 178.31 178.15 2dmu h GLN 27 N 0.00 0.11 -0.33 1.11 1.08 -1.09 -3.26 115.11 112.73 2dmu h GLN 27 Ca -0.00 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 2dmu h GLN 27 Cb 0.02 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2dmu h GLN 27 CO 0.00 0.52 -0.36 1.05 -0.95 0.00 0.00 178.83 179.09 2dmu h GLU 28 N -0.29 0.82 -4.22 1.46 4.11 -1.51 -3.44 114.58 111.52 2dmu h GLU 28 Ca 0.01 -0.45 -0.37 0.00 0.07 0.00 0.00 59.36 58.62 2dmu h GLU 28 Cb 0.49 0.02 -0.31 0.00 0.50 0.00 0.00 28.75 29.45 2dmu h GLU 28 CO 0.01 1.08 -0.76 -0.08 0.07 0.00 0.00 179.01 179.33 2dmu s THR 29 N -4.34 0.49 0.11 -1.06 -1.32 0.32 -5.04 115.64 104.80 2dmu s THR 29 Ca -0.12 -0.18 -0.14 0.00 -1.21 0.00 0.00 61.69 60.04 2dmu s THR 29 Cb 0.10 -0.46 -0.09 0.00 -1.51 0.00 0.00 72.50 70.53 2dmu s THR 29 CO 0.86 0.17 1.40 0.11 -2.21 0.00 0.00 174.62 174.96 2dmu h LYS 30 N 6.55 0.76 -3.42 7.08 1.79 -1.82 -3.30 116.57 124.21 2dmu h LYS 30 Ca -0.34 -0.44 -0.56 0.00 -2.18 0.00 0.00 60.65 57.13 2dmu h LYS 30 Cb 1.17 0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 31.45 2dmu h LYS 30 CO 0.49 1.07 -0.76 0.71 -1.08 0.00 0.00 179.45 179.87 2dmu s TYR 31 N -4.24 1.33 1.08 -1.35 1.51 -1.26 -4.93 117.35 109.50 2dmu s TYR 31 Ca -0.12 -1.41 -0.15 0.00 -1.01 0.00 0.00 57.07 54.38 2dmu s TYR 31 Cb 0.09 -1.43 0.23 0.00 -0.11 0.00 0.00 41.96 40.74 2dmu s TYR 31 CO 0.85 -0.82 1.10 -1.25 -1.11 0.00 0.00 175.55 174.32 2dmu s PRO 32 N 1.75 -0.27 0.17 -1.71 0.04 -1.26 -5.04 135.00 128.67 2dmu s PRO 32 Ca 0.07 0.27 -0.07 0.00 0.04 0.00 0.00 61.00 61.31 2dmu s PRO 32 Cb -0.17 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 2dmu s PRO 32 CO -0.24 -3.15 0.45 0.16 0.04 0.00 0.00 177.00 174.26 2dmu s ASP 33 N -3.62 6.56 0.38 6.66 1.47 -1.26 -4.90 116.67 121.97 2dmu s ASP 33 Ca 0.68 0.75 0.23 0.00 1.18 0.00 0.00 52.55 55.38 2dmu s ASP 33 Cb -0.15 -2.16 1.35 0.00 -0.34 0.00 0.00 42.92 41.62 2dmu s ASP 33 CO 0.57 0.01 1.60 1.62 0.68 0.00 0.00 175.17 179.65 2dmu h VAL 34 N 2.11 0.06 0.07 2.11 3.04 -1.99 0.38 116.25 122.04 2dmu h VAL 34 Ca -0.47 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2dmu h VAL 34 Cb 1.17 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2dmu h VAL 34 CO 0.71 0.01 -0.04 1.23 -1.01 0.00 0.00 177.57 178.46 2dmu h GLY 35 N 0.06 -0.11 0.99 3.17 0.00 -2.00 -1.25 103.07 103.92 2dmu h GLY 35 Ca 0.84 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 48.16 2dmu h GLY 35 CO -0.66 -0.05 0.12 -0.84 0.00 0.00 0.00 176.54 175.11 2dmu h THR 36 N -0.11 1.24 -0.51 4.70 2.02 -0.68 -2.65 112.91 116.93 2dmu h THR 36 Ca -0.01 -0.88 0.05 0.00 0.77 0.00 0.00 66.41 66.34 2dmu h THR 36 Cb 0.09 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 2dmu h THR 36 CO 0.01 0.32 0.24 0.03 0.37 0.00 0.00 175.52 176.49 2dmu h ARG 37 N 0.74 0.46 0.35 6.66 3.08 -1.06 0.15 114.38 124.76 2dmu h ARG 37 Ca 0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2dmu h ARG 37 Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2dmu h ARG 37 CO 0.00 0.30 -0.23 0.93 -1.07 0.00 0.00 179.97 179.91 2dmu h GLU 38 N 0.47 -0.54 0.47 0.04 5.08 -1.08 -0.86 114.58 118.16 2dmu h GLU 38 Ca 0.23 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2dmu h GLU 38 Cb 0.16 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2dmu h GLU 38 CO -0.17 -0.36 -0.30 1.96 -1.00 0.00 0.00 179.01 179.14 2dmu h GLN 39 N -0.56 -0.70 -0.61 2.33 4.20 -1.21 -2.88 115.11 115.67 2dmu h GLN 39 Ca -0.03 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2dmu h GLN 39 Cb 0.47 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.30 2dmu h GLN 39 CO 0.03 -0.47 -0.16 1.25 -0.67 0.00 0.00 178.83 178.81 2dmu h LEU 40 N -0.73 -0.60 -0.19 1.46 5.85 -0.67 -0.55 115.31 119.89 2dmu h LEU 40 Ca -0.05 0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2dmu h LEU 40 Cb 0.60 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2dmu h LEU 40 CO 0.05 -0.21 -0.26 0.00 -0.34 0.00 0.00 178.44 177.68 2dmu h ALA 41 N 1.59 -0.52 -0.86 1.25 0.00 -0.94 0.43 119.26 120.20 2dmu h ALA 41 Ca 0.29 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.36 2dmu h ALA 41 Cb 0.46 0.90 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2dmu h ALA 41 CO -0.63 -0.65 0.56 0.00 0.00 0.00 0.00 179.25 178.53 2dmu h ARG 42 N -0.19 0.56 -0.64 0.00 3.08 -1.26 1.05 114.38 116.98 2dmu h ARG 42 Ca 0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2dmu h ARG 42 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2dmu h ARG 42 CO -0.28 0.37 0.15 -0.22 -1.07 0.00 0.00 179.97 178.93 2dmu h LYS 43 N 0.57 1.02 -0.14 0.04 1.63 0.65 -2.62 116.57 117.73 2dmu h LYS 43 Ca 0.44 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2dmu h LYS 43 Cb 0.83 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2dmu h LYS 43 CO -0.18 0.93 0.00 1.33 -3.45 0.00 0.00 179.45 178.07 2dmu n VAL 44 N -4.31 0.16 -3.28 2.00 0.24 0.13 -4.96 118.33 108.32 2dmu n VAL 44 Ca 0.04 -0.46 -0.16 0.00 -2.04 0.00 0.00 64.34 61.72 2dmu n VAL 44 Cb 0.25 0.90 0.08 0.00 -1.47 0.00 0.00 33.84 33.59 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 0.88 -2.02 -4.31 6.34 8.25 0.33 -4.79 115.22 119.91 2dmu n HIS 45 Ca 0.17 0.83 -0.16 0.00 -0.26 0.00 0.00 57.72 58.29 2dmu n HIS 45 Cb 0.49 -4.63 -0.10 0.00 1.12 0.00 0.00 29.99 26.86 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 -5.90 1.72 0.11 2.41 1.43 0.44 -4.98 118.68 113.90 2dmu s LEU 46 Ca 0.10 -1.36 -0.22 0.00 -1.03 0.00 0.00 54.13 51.63 2dmu s LEU 46 Cb -0.05 -0.01 -0.07 0.00 0.03 0.00 0.00 46.19 46.10 2dmu s LEU 46 CO 0.63 -0.70 0.67 -0.13 0.23 0.00 0.00 176.35 177.04 2dmu s ARG 47 N -4.01 4.37 0.31 1.70 3.00 -1.26 -3.97 118.95 119.10 2dmu s ARG 47 Ca 0.36 0.93 0.04 0.00 0.00 0.00 0.00 55.73 57.06 2dmu s ARG 47 Cb 0.08 -3.26 0.82 0.00 0.00 0.00 0.00 34.95 32.59 2dmu s ARG 47 CO 0.13 0.59 1.59 0.93 0.00 0.00 0.00 175.30 178.53 2dmu h GLU 48 N 4.52 0.05 0.08 3.54 3.07 -1.91 0.31 114.58 124.23 2dmu h GLU 48 Ca -0.48 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.38 2dmu h GLU 48 Cb 1.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 2dmu h GLU 48 CO 0.65 0.03 -0.10 0.93 -1.40 0.00 0.00 179.01 179.12 2dmu h GLU 49 N 0.05 -0.20 -0.79 2.33 5.08 -1.95 -2.56 114.58 116.53 2dmu h GLU 49 Ca 0.62 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 59.16 2dmu h GLU 49 Cb 1.34 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.52 2dmu h GLU 49 CO -0.84 -0.13 0.26 0.87 -1.00 0.00 0.00 179.01 178.17 2dmu h LYS 50 N -0.21 0.34 -0.46 2.33 1.79 -0.79 -0.25 116.57 119.32 2dmu h LYS 50 Ca 0.01 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 2dmu h LYS 50 Cb 0.21 -0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 30.71 2dmu h LYS 50 CO -0.04 0.22 -0.02 0.28 -1.08 0.00 0.00 179.45 178.80 2dmu h VAL 51 N 0.35 0.62 -0.45 0.50 2.07 -0.99 -1.45 116.25 116.90 2dmu h VAL 51 Ca 0.45 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.89 2dmu h VAL 51 Cb 0.78 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2dmu h VAL 51 CO -0.49 0.02 0.08 -0.08 0.02 0.00 0.00 177.57 177.11 2dmu h GLU 52 N 0.09 0.75 0.03 1.57 4.57 -0.97 -2.89 114.58 117.71 2dmu h GLU 52 Ca 0.23 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2dmu h GLU 52 Cb 0.34 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 2dmu h GLU 52 CO -0.40 0.76 -0.46 0.28 -1.18 0.00 0.00 179.01 178.01 2dmu h VAL 53 N 0.61 0.09 -0.10 0.32 2.07 -0.30 -1.97 116.25 116.98 2dmu h VAL 53 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 2dmu h VAL 53 Cb 0.37 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 2dmu h VAL 53 CO 0.01 0.00 -0.41 -0.25 0.02 0.00 0.00 177.57 176.93 2dmu h TRP 54 N -0.63 -1.18 -0.92 1.57 7.01 -1.30 0.49 115.95 120.99 2dmu h TRP 54 Ca 0.03 0.05 0.26 0.00 2.11 0.00 0.00 58.89 61.33 2dmu h TRP 54 Cb 0.69 0.53 -0.16 0.00 -2.10 0.00 0.00 29.16 28.13 2dmu h TRP 54 CO -0.45 -0.48 0.18 0.74 -2.79 0.00 0.00 178.44 175.65 2dmu h PHE 55 N -0.51 0.24 0.05 2.65 -1.00 -1.26 0.11 116.94 117.21 2dmu h PHE 55 Ca 0.07 0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 2dmu h PHE 55 Cb 0.63 0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.23 2dmu h PHE 55 CO -0.47 -0.31 -0.02 0.87 -1.61 0.00 0.00 178.31 176.77 2dmu h LYS 56 N 0.12 -0.07 -0.94 1.51 1.57 -0.46 -0.54 116.57 117.75 2dmu h LYS 56 Ca 0.59 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.61 2dmu h LYS 56 Cb 1.23 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.49 2dmu h LYS 56 CO -0.75 0.33 0.64 -0.91 -0.57 0.00 0.00 179.45 178.18 2dmu h ASN 57 N -0.47 0.29 0.09 0.86 4.21 0.13 -0.99 115.58 119.69 2dmu h ASN 57 Ca -0.01 0.04 -0.13 0.00 1.21 0.00 0.00 56.30 57.41 2dmu h ASN 57 Cb 0.42 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.62 2dmu h ASN 57 CO 0.01 0.10 -0.57 -0.09 -1.29 0.00 0.00 177.43 175.59 2dmu h ARG 58 N 0.28 0.19 -0.93 0.81 9.65 -0.87 -3.33 114.38 120.18 2dmu h ARG 58 Ca 0.49 -0.32 0.20 0.00 -1.10 0.00 0.00 59.98 59.24 2dmu h ARG 58 Cb 1.43 0.12 -0.11 0.00 -1.39 0.00 0.00 29.97 30.02 2dmu h ARG 58 CO -0.15 1.15 0.50 -0.09 2.80 0.00 0.00 179.97 184.19 2dmu h ARG 59 N -0.60 0.58 -0.83 0.20 2.43 0.16 0.19 114.38 116.50 2dmu h ARG 59 Ca -0.11 -0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.22 2dmu h ARG 59 Cb 1.42 -0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.73 2dmu h ARG 59 CO 0.09 0.38 0.32 0.00 -1.51 0.00 0.00 179.97 179.25 2dmu h ALA 60 N 1.65 1.24 -0.34 2.80 0.00 -1.39 0.31 119.26 123.53 2dmu h ALA 60 Ca 0.55 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.55 2dmu h ALA 60 Cb 0.93 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dmu h ALA 60 CO -0.43 -0.31 -0.07 -0.22 0.00 0.00 0.00 179.25 178.22 2dmu h LYS 61 N 0.38 0.64 -0.06 0.00 3.64 -1.12 0.31 116.57 120.36 2dmu h LYS 61 Ca 0.50 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 2dmu h LYS 61 Cb 0.88 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2dmu h LYS 61 CO -0.50 0.81 -0.19 2.35 -2.27 0.00 0.00 179.45 179.65 2dmu h TRP 62 N 0.43 0.10 0.18 1.91 7.01 -0.75 0.82 115.95 125.65 2dmu h TRP 62 Ca 0.09 -0.01 -0.30 0.00 2.11 0.00 0.00 58.89 60.78 2dmu h TRP 62 Cb 0.56 -0.03 0.02 0.00 -2.10 0.00 0.00 29.16 27.61 2dmu h TRP 62 CO 0.05 0.28 -1.42 -0.09 -2.79 0.00 0.00 178.44 174.47 2dmu h ARG 63 N 0.09 0.37 -0.43 2.65 9.65 -0.27 -3.36 114.38 123.08 2dmu h ARG 63 Ca 0.02 -0.64 -0.06 0.00 -1.10 0.00 0.00 59.98 58.20 2dmu h ARG 63 Cb 0.39 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 2dmu h ARG 63 CO 0.03 1.30 0.02 -0.09 2.80 0.00 0.00 179.97 184.03 2dmu h ARG 64 N -0.09 0.74 -5.01 0.20 9.65 -0.22 -3.41 114.38 116.24 2dmu h ARG 64 Ca -0.27 -0.23 -0.67 0.00 -1.10 0.00 0.00 59.98 57.71 2dmu h ARG 64 Cb 1.94 -0.07 -0.32 0.00 -1.39 0.00 0.00 29.97 30.12 2dmu h ARG 64 CO 0.16 0.81 -0.80 -1.12 2.80 0.00 0.00 179.97 181.83 2dmu s SER 65 N -6.22 3.75 0.00 -3.80 0.01 0.27 -5.06 113.70 102.64 2dmu s SER 65 Ca -0.13 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2dmu s SER 65 Cb 0.10 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2dmu s SER 65 CO 0.80 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.02 2dmu n GLY 66 N 4.67 -0.82 3.70 3.44 0.00 -1.26 -4.42 105.19 110.50 2dmu n GLY 66 Ca -0.19 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2dmu n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmu s PRO 67 N -1.00 4.30 -0.23 1.61 0.04 -1.26 -5.01 135.00 133.45 2dmu s PRO 67 Ca 0.00 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2dmu s PRO 67 Cb 0.00 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2dmu s PRO 67 CO 0.00 -0.51 0.31 -1.12 0.04 0.00 0.00 177.00 175.72 2dmu s SER 68 N 1.55 6.27 0.48 6.66 0.01 -1.26 -5.08 113.70 122.34 2dmu s SER 68 Ca 0.65 0.31 -0.10 0.00 1.31 0.00 0.00 55.95 58.12 2dmu s SER 68 Cb -0.34 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2dmu s SER 68 CO 0.29 -0.06 0.85 -0.44 0.41 0.00 0.00 173.24 174.29 2dmu s SER 69 N 1.25 6.41 0.00 2.44 0.01 -1.26 -5.33 113.70 117.21 2dmu s SER 69 Ca 0.14 1.19 0.02 0.00 1.31 0.00 0.00 55.95 58.61 2dmu s SER 69 Cb -0.15 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2dmu s SER 69 CO 0.08 -0.56 0.57 0.61 0.41 0.00 0.00 173.24 174.35