#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 0.57 0.16 1.61 0.02 -2.03 -3.18 113.55 110.70 2dmu h SER 2 Ca 0.00 -0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 60.63 2dmu h SER 2 Cb 0.00 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 62.41 2dmu h SER 2 CO 0.00 0.45 -1.23 -1.28 -1.14 0.00 0.00 176.83 173.64 2dmu h SER 3 N 0.63 0.53 -2.02 3.07 0.87 -2.06 -3.40 113.55 111.18 2dmu h SER 3 Ca 0.17 -0.91 -0.73 0.00 -1.23 0.00 0.00 61.79 59.09 2dmu h SER 3 Cb -0.01 -0.17 -0.16 0.00 -0.44 0.00 0.00 62.40 61.61 2dmu h SER 3 CO -0.03 1.57 1.43 -0.83 -0.53 0.00 0.00 176.83 178.44 2dmu s GLY 4 N -4.70 2.29 0.42 5.77 0.00 -1.20 -4.97 107.32 104.93 2dmu s GLY 4 Ca -0.15 -3.28 0.07 0.00 0.00 0.00 0.00 44.72 41.36 2dmu s GLY 4 CO 0.84 2.13 0.13 -0.56 0.00 0.00 0.00 173.10 175.63 2dmu s SER 5 N 3.04 4.24 -0.06 1.64 0.01 -1.25 -4.71 113.70 116.62 2dmu s SER 5 Ca 0.44 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2dmu s SER 5 Cb -0.02 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.83 2dmu s SER 5 CO 0.00 -0.54 -0.08 -0.44 0.41 0.00 0.00 173.24 172.60 2dmu s SER 6 N -3.85 1.48 0.00 2.44 0.01 -1.26 -4.96 113.70 107.56 2dmu s SER 6 Ca 0.38 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2dmu s SER 6 Cb 0.06 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.63 2dmu s SER 6 CO 0.20 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2dmu n GLY 7 N 4.12 -1.41 3.32 3.44 0.00 -1.26 -5.13 105.19 108.27 2dmu n GLY 7 Ca -0.21 0.48 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.57 -0.56 1.61 3.03 -1.26 -5.12 118.95 117.22 2dmu s ARG 8 Ca 0.00 0.41 -0.23 0.00 2.03 0.00 0.00 55.73 57.95 2dmu s ARG 8 Cb 0.00 0.27 0.05 0.00 -1.03 0.00 0.00 34.95 34.24 2dmu s ARG 8 CO 0.00 -0.10 0.87 1.03 -1.13 0.00 0.00 175.30 175.97 2dmu s ARG 9 N -0.19 3.24 -0.39 3.89 3.00 -1.26 -5.01 118.95 122.23 2dmu s ARG 9 Ca -0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 55.73 55.05 2dmu s ARG 9 Cb -0.03 -4.10 0.04 0.00 0.00 0.00 0.00 34.95 30.86 2dmu s ARG 9 CO 0.02 -1.49 0.23 -3.38 0.00 0.00 0.00 175.30 170.68 2dmu s HIS 10 N 3.65 3.26 -0.11 -0.53 -3.43 -1.26 -4.95 115.29 111.91 2dmu s HIS 10 Ca 0.25 -1.03 -0.09 0.00 -0.80 0.00 0.00 55.06 53.39 2dmu s HIS 10 Cb -0.15 -2.56 -0.03 0.00 -1.43 0.00 0.00 32.58 28.41 2dmu s HIS 10 CO 0.16 -0.69 -0.17 -2.13 -2.00 0.00 0.00 174.74 169.91 2dmu n ARG 11 N 5.01 0.35 -3.85 -0.38 0.63 -1.26 -4.92 116.66 112.24 2dmu n ARG 11 Ca -0.11 0.35 -0.36 0.00 -0.92 0.00 0.00 57.85 56.81 2dmu n ARG 11 Cb 0.45 -1.35 -0.13 0.00 0.45 0.00 0.00 32.46 31.88 2dmu n ARG 11 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2dmu s THR 12 N -2.07 3.69 -0.11 5.15 2.01 -1.26 -5.01 115.64 118.05 2dmu s THR 12 Ca -0.14 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 2dmu s THR 12 Cb 0.02 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2dmu s THR 12 CO 0.21 0.38 -0.00 0.40 -0.69 0.00 0.00 174.62 174.91 2dmu h ILE 13 N 5.67 0.06 -2.02 1.82 5.03 -2.03 -3.48 117.51 122.57 2dmu h ILE 13 Ca -0.40 -1.05 -0.54 0.00 -0.12 0.00 0.00 64.86 62.75 2dmu h ILE 13 Cb 1.16 0.13 -0.08 0.00 -3.03 0.00 0.00 36.82 35.00 2dmu h ILE 13 CO 0.59 0.02 -0.57 -0.36 -0.68 0.00 0.00 178.15 177.16 2dmu s PHE 14 N -1.70 2.76 1.10 1.37 0.08 -1.26 -5.13 117.98 115.20 2dmu s PHE 14 Ca -0.03 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.56 2dmu s PHE 14 Cb 0.00 -1.47 0.24 0.00 -0.57 0.00 0.00 43.02 41.22 2dmu s PHE 14 CO 0.06 0.45 1.12 0.95 -0.10 0.00 0.00 175.22 177.70 2dmu s THR 15 N -2.35 1.80 0.08 0.64 -4.23 -1.26 -4.80 115.64 105.52 2dmu s THR 15 Ca 0.35 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.66 2dmu s THR 15 Cb -0.05 -2.55 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 2dmu s THR 15 CO 0.22 0.00 1.60 0.44 -0.54 0.00 0.00 174.62 176.34 2dmu h ASP 16 N -2.20 0.26 0.06 3.99 3.32 -2.00 -1.97 116.42 117.86 2dmu h ASP 16 Ca -0.49 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.36 2dmu h ASP 16 Cb 1.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2dmu h ASP 16 CO 0.45 0.38 -0.03 1.05 -1.72 0.00 0.00 179.24 179.38 2dmu h GLU 17 N 0.12 -0.07 -0.30 3.56 4.11 -1.97 0.22 114.58 120.25 2dmu h GLU 17 Ca 0.06 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.56 2dmu h GLU 17 Cb 0.22 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2dmu h GLU 17 CO -0.00 -0.03 -0.12 1.96 0.07 0.00 0.00 179.01 180.88 2dmu h GLN 18 N -0.09 -0.07 0.02 1.06 4.20 -1.82 0.14 115.11 118.55 2dmu h GLN 18 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dmu h GLN 18 Cb 0.07 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2dmu h GLN 18 CO 0.01 -0.05 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.05 2dmu h LEU 19 N -0.07 -0.02 -0.09 1.46 3.38 -1.20 0.13 115.31 118.91 2dmu h LEU 19 Ca 0.15 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2dmu h LEU 19 Cb 0.30 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2dmu h LEU 19 CO -0.35 0.20 -0.33 -0.08 0.09 0.00 0.00 178.44 177.97 2dmu h GLU 20 N -0.24 -0.41 0.92 1.13 4.81 -0.18 0.15 114.58 120.75 2dmu h GLU 20 Ca -0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2dmu h GLU 20 Cb 0.23 0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2dmu h GLU 20 CO 0.00 -0.27 -0.44 0.00 -0.73 0.00 0.00 179.01 177.57 2dmu h ALA 21 N 0.35 -1.29 -0.81 2.92 0.00 -0.73 0.37 119.26 120.06 2dmu h ALA 21 Ca 0.08 -0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2dmu h ALA 21 Cb 0.56 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 2dmu h ALA 21 CO -0.33 -1.20 -0.12 -0.07 0.00 0.00 0.00 179.25 177.53 2dmu h LEU 22 N -1.27 -0.61 -0.57 0.00 3.38 -0.84 0.52 115.31 115.91 2dmu h LEU 22 Ca -0.13 0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2dmu h LEU 22 Cb 0.94 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2dmu h LEU 22 CO 0.21 -0.25 -0.35 -0.33 0.09 0.00 0.00 178.44 177.81 2dmu h GLU 23 N 0.03 0.77 -0.10 1.13 5.08 -0.61 0.15 114.58 121.01 2dmu h GLU 23 Ca 0.41 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2dmu h GLU 23 Cb 0.69 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2dmu h GLU 23 CO -0.79 0.99 -0.18 -0.91 -1.00 0.00 0.00 179.01 177.12 2dmu h ASN 24 N 0.64 0.16 0.07 1.42 2.35 0.38 0.30 115.58 120.89 2dmu h ASN 24 Ca 0.06 -0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 2dmu h ASN 24 Cb 0.89 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 2dmu h ASN 24 CO 0.08 0.36 -1.11 0.25 -1.65 0.00 0.00 177.43 175.35 2dmu h LEU 25 N 0.16 0.23 -1.13 1.61 5.85 0.02 -3.24 115.31 118.81 2dmu h LEU 25 Ca 0.03 -0.80 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 2dmu h LEU 25 Cb 0.42 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2dmu h LEU 25 CO 0.03 1.48 0.43 0.15 -0.34 0.00 0.00 178.44 180.19 2dmu h PHE 26 N -0.58 1.01 0.60 1.25 3.57 -0.66 0.77 116.94 122.90 2dmu h PHE 26 Ca -0.26 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.21 2dmu h PHE 26 Cb 1.52 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 39.94 2dmu h PHE 26 CO 0.15 0.69 -0.29 1.96 -2.23 0.00 0.00 178.31 178.59 2dmu h GLN 27 N 1.05 -0.77 -0.34 1.11 1.08 -1.08 -3.17 115.11 112.99 2dmu h GLN 27 Ca 0.27 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 2dmu h GLN 27 Cb -0.01 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2dmu h GLN 27 CO -0.05 -0.49 0.18 1.05 -0.95 0.00 0.00 178.83 178.58 2dmu h GLU 28 N -0.89 0.47 -4.48 1.46 4.11 -1.55 -3.42 114.58 110.28 2dmu h GLU 28 Ca -0.08 -0.06 -0.46 0.00 0.07 0.00 0.00 59.36 58.83 2dmu h GLU 28 Cb 0.65 -0.09 -0.32 0.00 0.50 0.00 0.00 28.75 29.48 2dmu h GLU 28 CO 0.14 0.40 -0.80 -0.08 0.07 0.00 0.00 179.01 178.74 2dmu s THR 29 N -5.85 0.88 0.14 -1.06 -1.32 0.25 -5.03 115.64 103.65 2dmu s THR 29 Ca -0.13 -0.36 -0.12 0.00 -1.21 0.00 0.00 61.69 59.87 2dmu s THR 29 Cb 0.10 -0.81 -0.01 0.00 -1.51 0.00 0.00 72.50 70.27 2dmu s THR 29 CO 0.72 0.29 1.55 0.11 -2.21 0.00 0.00 174.62 175.08 2dmu h LYS 30 N 6.76 0.90 -3.52 7.08 1.79 -1.80 -3.29 116.57 124.49 2dmu h LYS 30 Ca -0.34 -0.36 -0.57 0.00 -2.18 0.00 0.00 60.65 57.21 2dmu h LYS 30 Cb 1.17 -0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 31.38 2dmu h LYS 30 CO 0.48 1.01 -0.76 0.71 -1.08 0.00 0.00 179.45 179.80 2dmu s TYR 31 N -4.76 1.51 1.11 -1.35 1.51 -1.26 -4.91 117.35 109.20 2dmu s TYR 31 Ca -0.12 -1.53 -0.16 0.00 -1.01 0.00 0.00 57.07 54.25 2dmu s TYR 31 Cb 0.11 -1.54 0.24 0.00 -0.11 0.00 0.00 41.96 40.67 2dmu s TYR 31 CO 0.84 -0.83 1.10 -1.25 -1.11 0.00 0.00 175.55 174.31 2dmu s PRO 32 N 1.69 -0.47 0.12 -1.71 0.04 -1.26 -5.06 135.00 128.35 2dmu s PRO 32 Ca 0.07 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.34 2dmu s PRO 32 Cb -0.17 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2dmu s PRO 32 CO -0.23 -3.27 0.26 -0.51 0.04 0.00 0.00 177.00 173.30 2dmu s ASP 33 N -3.67 6.35 0.30 6.66 1.01 -1.26 -4.91 116.67 121.16 2dmu s ASP 33 Ca 0.68 0.22 0.05 0.00 0.71 0.00 0.00 52.55 54.21 2dmu s ASP 33 Cb -0.14 -1.93 0.81 0.00 1.01 0.00 0.00 42.92 42.66 2dmu s ASP 33 CO 0.57 0.09 1.64 1.62 0.21 0.00 0.00 175.17 179.30 2dmu h VAL 34 N 1.79 0.28 -0.50 -1.27 3.04 -1.98 0.27 116.25 117.89 2dmu h VAL 34 Ca -0.47 -0.07 0.04 0.00 -1.01 0.00 0.00 66.70 65.18 2dmu h VAL 34 Cb 1.18 0.05 -0.04 0.00 -2.01 0.00 0.00 31.29 30.47 2dmu h VAL 34 CO 0.71 0.04 0.27 1.23 -1.01 0.00 0.00 177.57 178.81 2dmu h GLY 35 N 0.21 0.70 0.77 3.17 0.00 -1.99 0.19 103.07 106.11 2dmu h GLY 35 Ca 0.60 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 2dmu h GLY 35 CO -0.67 0.14 -0.25 -0.84 0.00 0.00 0.00 176.54 174.92 2dmu h THR 36 N 0.53 1.37 -0.39 4.70 2.02 -1.01 -2.99 112.91 117.13 2dmu h THR 36 Ca 0.21 -1.50 0.01 0.00 0.77 0.00 0.00 66.41 65.90 2dmu h THR 36 Cb 0.09 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2dmu h THR 36 CO -0.13 0.45 0.24 0.03 0.37 0.00 0.00 175.52 176.48 2dmu h ARG 37 N 0.02 0.47 -0.37 6.66 3.08 -0.54 0.66 114.38 124.37 2dmu h ARG 37 Ca 0.01 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.10 2dmu h ARG 37 Cb 0.84 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 2dmu h ARG 37 CO 0.06 0.31 -0.01 0.93 -1.07 0.00 0.00 179.97 180.19 2dmu h GLU 38 N 0.49 0.08 0.04 0.04 4.39 -0.67 -0.46 114.58 118.49 2dmu h GLU 38 Ca 0.15 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2dmu h GLU 38 Cb -0.02 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2dmu h GLU 38 CO -0.06 0.05 -0.02 1.96 -1.16 0.00 0.00 179.01 179.79 2dmu h GLN 39 N 0.09 -0.05 -0.73 2.33 4.20 -1.33 -3.11 115.11 116.49 2dmu h GLN 39 Ca 0.18 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.06 2dmu h GLN 39 Cb 0.26 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.94 2dmu h GLN 39 CO -0.32 0.25 0.16 1.25 -0.67 0.00 0.00 178.83 179.51 2dmu h LEU 40 N -0.35 -0.02 0.00 1.46 5.85 -0.53 -0.01 115.31 121.71 2dmu h LEU 40 Ca -0.01 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2dmu h LEU 40 Cb 0.32 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2dmu h LEU 40 CO 0.01 -0.05 -0.15 0.00 -0.34 0.00 0.00 178.44 177.91 2dmu h ALA 41 N 1.62 -0.63 -0.60 1.25 0.00 -1.02 0.23 119.26 120.10 2dmu h ALA 41 Ca 0.41 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.46 2dmu h ALA 41 Cb 0.71 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2dmu h ALA 41 CO -0.52 -0.67 0.42 0.00 0.00 0.00 0.00 179.25 178.48 2dmu h ARG 42 N -0.19 0.10 -0.52 0.00 2.47 -1.44 0.42 114.38 115.23 2dmu h ARG 42 Ca 0.00 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2dmu h ARG 42 Cb 0.20 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 2dmu h ARG 42 CO -0.10 0.07 -0.11 -0.22 0.56 0.00 0.00 179.97 180.17 2dmu h LYS 43 N 0.11 0.97 -0.74 0.04 3.64 0.25 -2.83 116.57 118.01 2dmu h LYS 43 Ca 0.29 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dmu h LYS 43 Cb 1.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2dmu h LYS 43 CO -0.03 1.02 0.00 1.33 -2.27 0.00 0.00 179.45 179.50 2dmu n VAL 44 N -4.15 0.98 -3.49 2.00 0.24 0.68 -4.95 118.33 109.65 2dmu n VAL 44 Ca 0.01 -0.99 -0.19 0.00 -2.04 0.00 0.00 64.34 61.13 2dmu n VAL 44 Cb 0.40 0.51 0.09 0.00 -1.47 0.00 0.00 33.84 33.36 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 1.68 -2.38 -4.30 6.34 8.25 0.12 -4.67 115.22 120.26 2dmu n HIS 45 Ca 0.25 0.96 -0.16 0.00 -0.26 0.00 0.00 57.72 58.50 2dmu n HIS 45 Cb 0.63 -5.05 -0.10 0.00 1.12 0.00 0.00 29.99 26.59 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 1.54 -0.07 2.41 1.43 0.60 -4.98 118.68 112.98 2dmu s LEU 46 Ca 0.17 -1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 51.65 2dmu s LEU 46 Cb -0.07 0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.30 2dmu s LEU 46 CO 0.73 -0.83 0.38 -0.13 0.23 0.00 0.00 176.35 176.73 2dmu s ARG 47 N -3.95 4.07 0.28 1.70 0.52 -1.26 -3.63 118.95 116.68 2dmu s ARG 47 Ca 0.37 0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 55.88 2dmu s ARG 47 Cb 0.06 -3.32 0.59 0.00 0.52 0.00 0.00 34.95 32.81 2dmu s ARG 47 CO 0.15 0.46 1.60 1.49 0.02 0.00 0.00 175.30 179.03 2dmu h GLU 48 N 5.66 0.05 -0.50 3.54 4.22 -1.89 0.31 114.58 125.97 2dmu h GLU 48 Ca -0.47 -0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.07 2dmu h GLU 48 Cb 1.20 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 2dmu h GLU 48 CO 0.68 0.04 -0.03 1.05 -2.18 0.00 0.00 179.01 178.57 2dmu h GLU 49 N 0.06 0.08 -0.68 1.92 4.11 -1.95 -1.00 114.58 117.12 2dmu h GLU 49 Ca 0.51 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.94 2dmu h GLU 49 Cb 0.97 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2dmu h GLU 49 CO -0.82 0.05 0.45 0.87 0.07 0.00 0.00 179.01 179.63 2dmu h LYS 50 N 0.09 0.88 -0.59 1.06 1.79 -0.81 -2.63 116.57 116.35 2dmu h LYS 50 Ca 0.25 -0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.79 2dmu h LYS 50 Cb 0.39 -0.20 -0.10 0.00 -1.58 0.00 0.00 32.23 30.74 2dmu h LYS 50 CO -0.45 0.58 0.04 0.28 -1.08 0.00 0.00 179.45 178.83 2dmu h VAL 51 N 0.91 0.55 -0.73 0.50 2.07 -0.39 -0.44 116.25 118.71 2dmu h VAL 51 Ca 0.25 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2dmu h VAL 51 Cb -0.10 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2dmu h VAL 51 CO -0.06 0.03 0.47 -0.08 0.02 0.00 0.00 177.57 177.95 2dmu h GLU 52 N 0.15 0.97 0.55 1.57 4.81 -1.10 -3.03 114.58 118.50 2dmu h GLU 52 Ca 0.31 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2dmu h GLU 52 Cb 0.49 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2dmu h GLU 52 CO -0.47 0.66 -0.50 0.28 -0.73 0.00 0.00 179.01 178.25 2dmu h VAL 53 N 0.99 0.02 -0.95 0.32 2.07 -0.84 -1.96 116.25 115.90 2dmu h VAL 53 Ca 0.27 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.05 2dmu h VAL 53 Cb -0.09 0.02 -0.17 0.00 -1.52 0.00 0.00 31.29 29.54 2dmu h VAL 53 CO -0.05 0.00 0.08 -0.25 0.02 0.00 0.00 177.57 177.37 2dmu h TRP 54 N -1.03 0.06 -0.13 1.57 7.01 -1.26 0.43 115.95 122.59 2dmu h TRP 54 Ca -0.07 0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dmu h TRP 54 Cb 0.88 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 2dmu h TRP 54 CO -0.23 -0.38 0.08 0.74 -2.79 0.00 0.00 178.44 175.86 2dmu h PHE 55 N 0.05 0.17 0.17 2.65 -1.00 -1.33 0.21 116.94 117.86 2dmu h PHE 55 Ca 0.59 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.37 2dmu h PHE 55 Cb 1.22 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 2dmu h PHE 55 CO -0.43 0.14 -0.18 0.87 -1.61 0.00 0.00 178.31 177.09 2dmu h LYS 56 N 0.16 -0.38 -0.49 1.51 1.57 0.50 0.18 116.57 119.61 2dmu h LYS 56 Ca 0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2dmu h LYS 56 Cb 0.01 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2dmu h LYS 56 CO -0.01 -0.25 0.31 -0.91 -0.57 0.00 0.00 179.45 178.02 2dmu h ASN 57 N -0.39 0.57 0.87 0.86 2.35 -0.90 -2.44 115.58 116.49 2dmu h ASN 57 Ca 0.00 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2dmu h ASN 57 Cb 0.38 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2dmu h ASN 57 CO -0.05 0.43 -0.45 0.03 -1.65 0.00 0.00 177.43 175.74 2dmu h ARG 58 N 0.66 -1.16 -0.96 0.81 2.47 -0.31 -2.75 114.38 113.13 2dmu h ARG 58 Ca 0.18 0.08 0.28 0.00 -1.26 0.00 0.00 59.98 59.26 2dmu h ARG 58 Cb -0.05 0.26 -0.14 0.00 -1.65 0.00 0.00 29.97 28.39 2dmu h ARG 58 CO -0.04 -0.77 0.46 -0.09 0.56 0.00 0.00 179.97 180.09 2dmu h ARG 59 N -1.20 0.31 -1.08 0.04 2.43 -0.60 0.48 114.38 114.76 2dmu h ARG 59 Ca -0.12 -0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.33 2dmu h ARG 59 Cb 0.94 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.31 2dmu h ARG 59 CO 0.17 0.21 0.68 0.00 -1.51 0.00 0.00 179.97 179.52 2dmu h ALA 60 N 1.81 2.25 0.14 2.80 0.00 -1.12 0.26 119.26 125.40 2dmu h ALA 60 Ca 0.66 0.08 -0.29 0.00 0.00 0.00 0.00 54.91 55.36 2dmu h ALA 60 Cb 1.43 0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.30 2dmu h ALA 60 CO -0.60 -0.71 -1.26 -0.22 0.00 0.00 0.00 179.25 176.46 2dmu h LYS 61 N 0.36 0.46 -0.37 0.00 3.64 -0.08 -2.63 116.57 117.95 2dmu h LYS 61 Ca 0.64 -0.68 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2dmu h LYS 61 Cb 1.65 0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 33.67 2dmu h LYS 61 CO -0.35 1.30 0.16 2.35 -2.27 0.00 0.00 179.45 180.65 2dmu h TRP 62 N 0.17 0.29 -0.24 1.91 7.01 -0.25 -1.39 115.95 123.45 2dmu h TRP 62 Ca -0.17 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.67 2dmu h TRP 62 Cb 1.95 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 28.93 2dmu h TRP 62 CO 0.09 0.14 -0.53 0.07 -2.79 0.00 0.00 178.44 175.42 2dmu h ARG 63 N 0.33 0.72 0.14 2.65 0.11 -1.31 -3.26 114.38 113.77 2dmu h ARG 63 Ca 0.16 -0.45 0.02 0.00 0.10 0.00 0.00 59.98 59.81 2dmu h ARG 63 Cb 0.10 0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 2dmu h ARG 63 CO -0.14 1.07 -0.26 -0.09 0.10 0.00 0.00 179.97 180.65 2dmu h ARG 64 N 0.56 -0.47 -4.34 0.08 2.43 -1.06 -3.47 114.38 108.12 2dmu h ARG 64 Ca 0.02 0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.95 2dmu h ARG 64 Cb 1.11 0.11 0.10 0.00 -0.42 0.00 0.00 29.97 30.86 2dmu h ARG 64 CO 0.11 -0.31 -0.47 0.45 -1.51 0.00 0.00 179.97 178.24 2dmu n SER 65 N -5.38 -4.86 -4.23 -3.80 2.88 -0.56 -5.02 113.62 92.64 2dmu n SER 65 Ca -0.07 -0.37 -0.13 0.00 -1.33 0.00 0.00 58.87 56.97 2dmu n SER 65 Cb 0.29 -3.62 -0.10 0.00 -0.75 0.00 0.00 64.21 60.03 2dmu n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmu s GLY 66 N -3.26 1.31 0.18 0.46 0.00 -1.26 -5.13 107.32 99.62 2dmu s GLY 66 Ca 0.38 -1.64 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 2dmu s GLY 66 CO 0.50 -1.48 1.31 2.56 0.00 0.00 0.00 173.10 176.00 2dmu s PRO 67 N -4.02 4.38 0.09 2.90 0.04 -1.26 -5.02 135.00 132.11 2dmu s PRO 67 Ca 0.30 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.15 2dmu s PRO 67 Cb 0.07 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.46 2dmu s PRO 67 CO 0.07 -0.28 0.55 0.45 0.04 0.00 0.00 177.00 177.83 2dmu s SER 68 N 0.46 -0.48 -0.08 6.66 0.15 -1.26 -5.16 113.70 114.00 2dmu s SER 68 Ca 0.58 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.32 2dmu s SER 68 Cb -0.36 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 2dmu s SER 68 CO 0.37 -0.82 -0.02 -0.55 1.20 0.00 0.00 173.24 173.42 2dmu s SER 69 N -2.28 1.69 0.00 5.45 0.15 -1.26 -5.26 113.70 112.18 2dmu s SER 69 Ca -0.02 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2dmu s SER 69 Cb -0.00 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 2dmu s SER 69 CO -0.06 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.82