#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 6.94 0.14 1.61 0.15 -1.26 -5.00 113.70 116.28 2dmu s SER 2 Ca 0.00 1.11 -0.29 0.00 0.70 0.00 0.00 55.95 57.47 2dmu s SER 2 Cb 0.00 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2dmu s SER 2 CO 0.00 0.24 1.57 0.28 1.20 0.00 0.00 173.24 176.53 2dmu h SER 3 N 4.94 -1.55 -4.59 5.45 0.02 -2.12 -3.48 113.55 112.22 2dmu h SER 3 Ca -0.49 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2dmu h SER 3 Cb 1.21 0.65 0.00 0.00 0.14 0.00 0.00 62.40 64.40 2dmu h SER 3 CO 0.65 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 2dmu n GLY 4 N -1.41 0.60 3.18 -3.77 0.00 -1.26 -5.07 105.19 97.45 2dmu n GLY 4 Ca -0.02 -2.15 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 2dmu n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmu s SER 5 N -3.34 -0.36 0.17 1.61 0.01 -1.26 -5.04 113.70 105.49 2dmu s SER 5 Ca 0.00 0.79 -0.14 0.00 1.31 0.00 0.00 55.95 57.91 2dmu s SER 5 Cb 0.00 1.51 0.08 0.00 0.21 0.00 0.00 66.02 67.82 2dmu s SER 5 CO 0.00 -0.26 1.82 -1.28 0.41 0.00 0.00 173.24 173.93 2dmu h SER 6 N 8.13 0.52 -4.27 2.44 0.87 -2.06 -3.34 113.55 115.84 2dmu h SER 6 Ca -0.18 -0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.73 2dmu h SER 6 Cb 1.13 -0.11 -0.41 0.00 -0.44 0.00 0.00 62.40 62.57 2dmu h SER 6 CO 0.19 0.37 -0.62 -0.83 -0.53 0.00 0.00 176.83 175.41 2dmu s GLY 7 N -2.71 2.49 -0.25 5.77 0.00 -1.26 -5.07 107.32 106.29 2dmu s GLY 7 Ca -0.13 -3.33 -0.08 0.00 0.00 0.00 0.00 44.72 41.18 2dmu s GLY 7 CO 0.74 1.02 0.11 -1.60 0.00 0.00 0.00 173.10 173.36 2dmu s ARG 8 N -0.39 3.78 -0.08 2.90 3.52 -1.26 -4.98 118.95 122.44 2dmu s ARG 8 Ca 0.18 -0.41 -0.19 0.00 -0.13 0.00 0.00 55.73 55.17 2dmu s ARG 8 Cb -0.24 -3.42 -0.29 0.00 -1.56 0.00 0.00 34.95 29.44 2dmu s ARG 8 CO -0.01 -0.13 0.70 0.07 -0.81 0.00 0.00 175.30 175.12 2dmu h ARG 9 N 8.10 0.25 -6.66 5.12 0.11 -1.97 -3.46 114.38 115.87 2dmu h ARG 9 Ca -0.37 -0.43 -0.50 0.00 0.10 0.00 0.00 59.98 58.77 2dmu h ARG 9 Cb 1.18 0.16 -0.03 0.00 1.11 0.00 0.00 29.97 32.39 2dmu h ARG 9 CO 0.58 1.21 0.14 -1.58 0.10 0.00 0.00 179.97 180.42 2dmu s HIS 10 N -2.44 3.56 0.10 4.08 2.46 -1.26 -5.08 115.29 116.71 2dmu s HIS 10 Ca -0.17 1.39 -0.01 0.00 0.47 0.00 0.00 55.06 56.74 2dmu s HIS 10 Cb 0.03 -2.64 -0.04 0.00 -0.13 0.00 0.00 32.58 29.80 2dmu s HIS 10 CO 0.79 0.24 0.01 -0.98 -2.47 0.00 0.00 174.74 172.33 2dmu s ARG 11 N -2.30 0.82 -0.13 2.88 3.03 -1.26 -5.13 118.95 116.85 2dmu s ARG 11 Ca 0.47 -1.36 -0.29 0.00 2.03 0.00 0.00 55.73 56.58 2dmu s ARG 11 Cb -0.15 0.15 -0.01 0.00 -1.03 0.00 0.00 34.95 33.91 2dmu s ARG 11 CO 0.20 -0.17 1.02 0.99 -1.13 0.00 0.00 175.30 176.21 2dmu s THR 12 N -3.93 4.74 0.41 4.99 2.01 -1.26 -5.03 115.64 117.57 2dmu s THR 12 Ca 0.17 2.03 -0.21 0.00 0.31 0.00 0.00 61.69 63.98 2dmu s THR 12 Cb 0.07 -4.30 -0.11 0.00 0.01 0.00 0.00 72.50 68.17 2dmu s THR 12 CO -0.03 -0.03 0.93 -0.51 -0.69 0.00 0.00 174.62 174.29 2dmu s ILE 13 N 2.25 4.40 0.25 1.82 2.07 -1.26 -5.08 121.20 125.65 2dmu s ILE 13 Ca 0.48 1.47 0.06 0.00 -1.41 0.00 0.00 60.65 61.26 2dmu s ILE 13 Cb -0.18 -3.64 -0.05 0.00 0.13 0.00 0.00 42.46 38.72 2dmu s ILE 13 CO 0.16 -0.26 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.49 2dmu s PHE 14 N -2.10 1.80 0.13 3.50 0.40 -1.26 -5.15 117.98 115.30 2dmu s PHE 14 Ca 0.60 -0.69 -0.08 0.00 -0.60 0.00 0.00 56.93 56.16 2dmu s PHE 14 Cb -0.10 -0.97 -0.06 0.00 0.51 0.00 0.00 43.02 42.40 2dmu s PHE 14 CO 0.14 0.26 0.42 -0.08 0.70 0.00 0.00 175.22 176.66 2dmu s THR 15 N -3.06 5.09 0.26 0.64 -1.32 -1.26 -4.89 115.64 111.10 2dmu s THR 15 Ca 0.27 0.31 -0.02 0.00 -1.21 0.00 0.00 61.69 61.03 2dmu s THR 15 Cb 0.03 -3.63 0.39 0.00 -1.51 0.00 0.00 72.50 67.77 2dmu s THR 15 CO 0.09 0.13 1.37 -0.90 -2.21 0.00 0.00 174.62 173.11 2dmu n ASP 16 N 0.41 -0.20 0.13 8.08 5.75 -1.26 0.44 116.55 129.90 2dmu n ASP 16 Ca -0.04 1.50 -0.13 0.00 -0.01 0.00 0.00 54.79 56.11 2dmu n ASP 16 Cb 0.52 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 2dmu n ASP 16 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dmu h GLU 17 N 0.00 -0.41 0.12 0.11 4.81 -1.99 0.16 114.58 117.38 2dmu h GLU 17 Ca 0.48 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.76 2dmu h GLU 17 Cb 0.90 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 2dmu h GLU 17 CO -0.86 -0.28 -0.37 1.96 -0.73 0.00 0.00 179.01 178.73 2dmu h GLN 18 N -0.43 -0.59 -0.84 1.92 4.20 -0.32 -1.13 115.11 117.93 2dmu h GLN 18 Ca 0.01 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.85 2dmu h GLN 18 Cb 0.42 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 2dmu h GLN 18 CO -0.08 -0.39 0.49 -0.07 -0.67 0.00 0.00 178.83 178.11 2dmu h LEU 19 N -0.61 0.72 0.42 1.46 3.38 -1.05 -0.27 115.31 119.37 2dmu h LEU 19 Ca 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dmu h LEU 19 Cb 0.64 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2dmu h LEU 19 CO -0.22 0.42 -0.43 -0.08 0.09 0.00 0.00 178.44 178.22 2dmu h GLU 20 N 0.84 -0.84 0.53 1.13 4.81 0.03 0.15 114.58 121.23 2dmu h GLU 20 Ca 0.40 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2dmu h GLU 20 Cb 0.33 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2dmu h GLU 20 CO -0.23 -0.56 -0.34 0.00 -0.73 0.00 0.00 179.01 177.15 2dmu h ALA 21 N -0.56 -0.85 -0.39 2.92 0.00 -0.90 0.35 119.26 119.83 2dmu h ALA 21 Ca -0.04 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2dmu h ALA 21 Cb 0.77 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2dmu h ALA 21 CO -0.07 -0.99 -0.35 -0.07 0.00 0.00 0.00 179.25 177.77 2dmu h LEU 22 N -0.83 -1.15 -0.82 0.00 3.38 -0.99 0.38 115.31 115.27 2dmu h LEU 22 Ca -0.06 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2dmu h LEU 22 Cb 0.69 0.53 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2dmu h LEU 22 CO 0.05 -0.33 0.43 -0.33 0.09 0.00 0.00 178.44 178.34 2dmu h GLU 23 N -0.27 1.16 -0.28 1.13 5.08 -0.59 0.19 114.58 120.99 2dmu h GLU 23 Ca 0.16 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2dmu h GLU 23 Cb 0.55 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2dmu h GLU 23 CO -0.54 0.87 0.05 -0.91 -1.00 0.00 0.00 179.01 177.48 2dmu h ASN 24 N 1.15 0.37 0.00 1.42 2.35 0.13 0.64 115.58 121.64 2dmu h ASN 24 Ca 0.29 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2dmu h ASN 24 Cb 0.07 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2dmu h ASN 24 CO -0.04 0.40 -0.07 0.25 -1.65 0.00 0.00 177.43 176.31 2dmu h LEU 25 N 0.41 0.00 -0.84 1.61 5.85 0.30 -3.22 115.31 119.42 2dmu h LEU 25 Ca 0.10 -0.53 0.10 0.00 0.84 0.00 0.00 57.88 58.38 2dmu h LEU 25 Cb 0.19 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2dmu h LEU 25 CO -0.00 0.81 0.48 0.15 -0.34 0.00 0.00 178.44 179.54 2dmu h PHE 26 N -1.00 0.88 0.40 1.25 3.57 -0.62 0.86 116.94 122.28 2dmu h PHE 26 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2dmu h PHE 26 Cb 0.59 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2dmu h PHE 26 CO 0.14 0.35 -0.47 1.96 -2.23 0.00 0.00 178.31 178.06 2dmu h GLN 27 N 0.80 -0.87 -0.36 1.11 1.08 -1.01 -2.83 115.11 113.03 2dmu h GLN 27 Ca 0.41 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2dmu h GLN 27 Cb 0.38 0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2dmu h GLN 27 CO -0.25 -0.58 0.23 1.05 -0.95 0.00 0.00 178.83 178.32 2dmu h GLU 28 N -0.90 0.48 -3.97 1.46 4.11 -1.48 -3.42 114.58 110.86 2dmu h GLU 28 Ca -0.04 -0.03 -0.44 0.00 0.07 0.00 0.00 59.36 58.91 2dmu h GLU 28 Cb 0.81 -0.10 -0.36 0.00 0.50 0.00 0.00 28.75 29.60 2dmu h GLU 28 CO -0.11 0.33 -0.78 -0.08 0.07 0.00 0.00 179.01 178.45 2dmu s THR 29 N -6.09 0.59 0.21 -1.06 -1.32 0.27 -5.03 115.64 103.21 2dmu s THR 29 Ca -0.13 -0.08 -0.09 0.00 -1.21 0.00 0.00 61.69 60.19 2dmu s THR 29 Cb 0.10 -0.65 0.17 0.00 -1.51 0.00 0.00 72.50 70.61 2dmu s THR 29 CO 0.72 0.27 1.83 0.11 -2.21 0.00 0.00 174.62 175.33 2dmu h LYS 30 N 7.75 1.14 -4.05 7.08 1.57 -1.77 -3.29 116.57 124.99 2dmu h LYS 30 Ca -0.29 -0.14 -0.61 0.00 -1.87 0.00 0.00 60.65 57.73 2dmu h LYS 30 Cb 1.14 -0.22 -0.40 0.00 0.08 0.00 0.00 32.23 32.84 2dmu h LYS 30 CO 0.38 0.85 -0.75 0.71 -0.57 0.00 0.00 179.45 180.07 2dmu s TYR 31 N -5.81 2.47 1.17 -1.35 1.51 -1.26 -4.88 117.35 109.20 2dmu s TYR 31 Ca -0.13 -2.13 -0.18 0.00 -1.01 0.00 0.00 57.07 53.62 2dmu s TYR 31 Cb 0.16 -2.07 0.27 0.00 -0.11 0.00 0.00 41.96 40.21 2dmu s TYR 31 CO 0.82 -0.88 1.11 -1.25 -1.11 0.00 0.00 175.55 174.24 2dmu s PRO 32 N 1.35 -0.97 0.11 -1.71 0.04 -1.26 -5.06 135.00 127.50 2dmu s PRO 32 Ca 0.07 0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.16 2dmu s PRO 32 Cb -0.18 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2dmu s PRO 32 CO -0.16 -3.57 0.21 -0.51 0.04 0.00 0.00 177.00 173.02 2dmu s ASP 33 N -3.82 6.15 0.29 6.66 1.01 -1.26 -4.95 116.67 120.75 2dmu s ASP 33 Ca 0.70 0.15 0.04 0.00 0.71 0.00 0.00 52.55 54.14 2dmu s ASP 33 Cb -0.11 -1.82 0.73 0.00 1.01 0.00 0.00 42.92 42.73 2dmu s ASP 33 CO 0.56 0.11 1.69 1.62 0.21 0.00 0.00 175.17 179.36 2dmu h VAL 34 N 1.96 0.45 -0.75 -1.27 3.04 -1.99 0.28 116.25 117.97 2dmu h VAL 34 Ca -0.47 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 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 0.70 0.07 0.41 1.23 -1.01 0.00 0.00 177.57 178.97 2dmu h GLY 35 N 0.37 1.11 0.81 3.17 0.00 -2.00 -1.39 103.07 105.13 2dmu h GLY 35 Ca 0.56 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 2dmu h GLY 35 CO -0.55 0.47 -0.45 -0.84 0.00 0.00 0.00 176.54 175.18 2dmu h THR 36 N 1.05 1.39 -0.85 4.70 2.02 -0.95 -3.01 112.91 117.25 2dmu h THR 36 Ca 0.27 -1.81 0.02 0.00 0.77 0.00 0.00 66.41 65.66 2dmu h THR 36 Cb 0.02 2.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.65 2dmu h THR 36 CO -0.04 0.53 0.56 0.03 0.37 0.00 0.00 175.52 176.97 2dmu h ARG 37 N 0.02 1.07 0.25 6.66 3.08 -0.76 0.23 114.38 124.92 2dmu h ARG 37 Ca -0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2dmu h ARG 37 Cb 1.10 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2dmu h ARG 37 CO 0.09 0.71 -0.12 0.93 -1.07 0.00 0.00 179.97 180.51 2dmu h GLU 38 N 1.10 -0.32 -0.21 0.04 5.08 -1.28 -0.31 114.58 118.68 2dmu h GLU 38 Ca 0.33 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2dmu h GLU 38 Cb -0.04 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2dmu h GLU 38 CO -0.09 -0.14 0.03 1.96 -1.00 0.00 0.00 179.01 179.78 2dmu h GLN 39 N -0.45 0.36 -0.14 2.33 4.20 -1.35 -2.94 115.11 117.12 2dmu h GLN 39 Ca -0.03 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.62 2dmu h GLN 39 Cb 0.34 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2dmu h GLN 39 CO 0.06 0.51 -0.14 1.25 -0.67 0.00 0.00 178.83 179.83 2dmu h LEU 40 N 0.15 -0.45 -0.10 1.46 5.85 -0.53 -1.37 115.31 120.32 2dmu h LEU 40 Ca 0.06 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2dmu h LEU 40 Cb 0.33 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2dmu h LEU 40 CO 0.01 -0.19 -0.45 0.00 -0.34 0.00 0.00 178.44 177.46 2dmu h ALA 41 N 0.90 -0.83 -0.98 1.25 0.00 -1.02 0.41 119.26 119.00 2dmu h ALA 41 Ca 0.10 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.16 2dmu h ALA 41 Cb 0.31 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2dmu h ALA 41 CO -0.24 -0.99 0.62 0.00 0.00 0.00 0.00 179.25 178.64 2dmu h ARG 42 N -0.50 0.58 -0.43 0.00 2.47 -1.33 1.08 114.38 116.24 2dmu h ARG 42 Ca 0.02 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.58 2dmu h ARG 42 Cb 0.57 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2dmu h ARG 42 CO -0.36 0.38 -0.24 -0.22 0.56 0.00 0.00 179.97 180.09 2dmu h LYS 43 N 0.59 0.93 -0.27 0.04 3.64 0.07 -2.84 116.57 118.74 2dmu h LYS 43 Ca 0.55 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2dmu h LYS 43 Cb 1.09 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2dmu h LYS 43 CO -0.30 1.08 0.00 1.33 -2.27 0.00 0.00 179.45 179.28 2dmu n VAL 44 N -4.15 0.35 -3.46 2.00 0.24 0.13 -4.93 118.33 108.50 2dmu n VAL 44 Ca -0.01 -0.47 -0.19 0.00 -2.04 0.00 0.00 64.34 61.63 2dmu n VAL 44 Cb 0.46 0.47 0.09 0.00 -1.47 0.00 0.00 33.84 33.39 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 0.64 -2.34 -4.35 6.34 8.25 0.34 -4.77 115.22 119.32 2dmu n HIS 45 Ca 0.16 0.95 -0.20 0.00 -0.26 0.00 0.00 57.72 58.38 2dmu n HIS 45 Cb 0.39 -5.05 -0.09 0.00 1.12 0.00 0.00 29.99 26.35 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 -6.56 1.72 -0.14 2.41 1.43 0.70 -4.98 118.68 113.27 2dmu s LEU 46 Ca 0.14 -1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 51.61 2dmu s LEU 46 Cb -0.06 0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 2dmu s LEU 46 CO 0.72 -0.90 0.07 -0.13 0.23 0.00 0.00 176.35 176.35 2dmu s ARG 47 N -3.78 3.57 0.33 1.70 1.81 -1.26 -3.80 118.95 117.51 2dmu s ARG 47 Ca 0.35 -0.29 0.08 0.00 -1.72 0.00 0.00 55.73 54.15 2dmu s ARG 47 Cb 0.05 -3.11 0.95 0.00 -0.45 0.00 0.00 34.95 32.39 2dmu s ARG 47 CO 0.18 0.54 1.59 0.93 -0.68 0.00 0.00 175.30 177.85 2dmu h GLU 48 N 5.78 0.05 -0.96 3.54 3.07 -1.91 1.23 114.58 125.38 2dmu h GLU 48 Ca -0.46 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.45 2dmu h GLU 48 Cb 1.19 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.03 2dmu h GLU 48 CO 0.63 0.03 0.63 1.05 -1.40 0.00 0.00 179.01 179.95 2dmu h GLU 49 N 0.05 1.13 -0.07 2.33 4.11 -1.95 -2.63 114.58 117.55 2dmu h GLU 49 Ca 0.68 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 60.01 2dmu h GLU 49 Cb 1.56 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2dmu h GLU 49 CO -0.82 0.75 -0.08 0.87 0.07 0.00 0.00 179.01 179.80 2dmu h LYS 50 N 1.16 0.18 -0.91 1.06 1.79 0.11 -3.12 116.57 116.84 2dmu h LYS 50 Ca 0.40 -0.10 0.25 0.00 -2.18 0.00 0.00 60.65 59.02 2dmu h LYS 50 Cb 0.08 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.60 2dmu h LYS 50 CO -0.14 0.62 0.33 0.28 -1.08 0.00 0.00 179.45 179.46 2dmu h VAL 51 N -0.26 0.33 -0.43 0.50 2.07 -0.85 0.23 116.25 117.84 2dmu h VAL 51 Ca 0.01 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2dmu h VAL 51 Cb 0.59 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2dmu h VAL 51 CO 0.02 0.05 0.20 -0.08 0.02 0.00 0.00 177.57 177.78 2dmu h GLU 52 N 0.26 0.63 -0.20 1.57 4.81 -1.48 -2.96 114.58 117.20 2dmu h GLU 52 Ca 0.59 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.78 2dmu h GLU 52 Cb 1.22 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 2dmu h GLU 52 CO -0.63 0.55 -0.37 0.28 -0.73 0.00 0.00 179.01 178.11 2dmu h VAL 53 N 0.56 0.20 -0.37 0.32 2.07 -0.50 -0.14 116.25 118.39 2dmu h VAL 53 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 2dmu h VAL 53 Cb 0.13 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 2dmu h VAL 53 CO -0.02 0.00 -0.25 -0.25 0.02 0.00 0.00 177.57 177.07 2dmu h TRP 54 N -0.40 -0.66 0.01 1.57 7.01 -1.39 0.17 115.95 122.25 2dmu h TRP 54 Ca 0.11 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.18 2dmu h TRP 54 Cb 0.58 0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 2dmu h TRP 54 CO -0.48 -0.32 -0.26 0.74 -2.79 0.00 0.00 178.44 175.33 2dmu h PHE 55 N -0.19 -0.69 -0.04 2.65 -1.00 -1.22 -0.13 116.94 116.32 2dmu h PHE 55 Ca 0.18 0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.02 2dmu h PHE 55 Cb 0.48 0.30 -0.06 0.00 3.61 0.00 0.00 35.95 40.28 2dmu h PHE 55 CO -0.46 -0.35 -0.36 0.87 -1.61 0.00 0.00 178.31 176.40 2dmu h LYS 56 N -0.40 -0.48 0.19 1.51 1.57 -0.34 -1.09 116.57 117.54 2dmu h LYS 56 Ca 0.06 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2dmu h LYS 56 Cb 0.48 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2dmu h LYS 56 CO -0.22 -0.32 -0.38 -0.91 -0.57 0.00 0.00 179.45 177.05 2dmu h ASN 57 N -0.49 -1.11 -0.94 0.86 2.35 -0.72 -2.08 115.58 113.44 2dmu h ASN 57 Ca 0.07 0.11 0.28 0.00 -0.55 0.00 0.00 56.30 56.21 2dmu h ASN 57 Cb 0.60 0.39 -0.16 0.00 0.05 0.00 0.00 38.32 39.20 2dmu h ASN 57 CO -0.31 -0.44 0.22 0.03 -1.65 0.00 0.00 177.43 175.28 2dmu h ARG 58 N -0.62 0.10 -1.05 0.81 2.47 -0.85 0.47 114.38 115.71 2dmu h ARG 58 Ca -0.02 -0.01 0.39 0.00 -1.26 0.00 0.00 59.98 59.09 2dmu h ARG 58 Cb 0.59 -0.02 -0.16 0.00 -1.65 0.00 0.00 29.97 28.72 2dmu h ARG 58 CO -0.15 0.06 0.59 -0.09 0.56 0.00 0.00 179.97 180.95 2dmu h ARG 59 N 0.10 0.10 -0.33 0.04 2.43 -0.46 0.49 114.38 116.75 2dmu h ARG 59 Ca 0.63 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.85 2dmu h ARG 59 Cb 1.37 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.84 2dmu h ARG 59 CO -0.77 0.07 -0.05 0.00 -1.51 0.00 0.00 179.97 177.71 2dmu h ALA 60 N 1.90 0.25 -0.20 2.80 0.00 -0.08 0.27 119.26 124.20 2dmu h ALA 60 Ca 0.81 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.82 2dmu h ALA 60 Cb 2.13 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 20.13 2dmu h ALA 60 CO -0.67 -0.44 0.04 -0.22 0.00 0.00 0.00 179.25 177.96 2dmu h LYS 61 N 0.04 0.33 0.19 0.00 1.63 -0.18 0.11 116.57 118.69 2dmu h LYS 61 Ca 0.16 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.89 2dmu h LYS 61 Cb 0.23 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 2dmu h LYS 61 CO -0.31 0.46 -0.41 2.35 -3.45 0.00 0.00 179.45 178.09 2dmu h TRP 62 N 0.14 -1.14 -0.55 1.91 7.01 -0.94 -0.59 115.95 121.78 2dmu h TRP 62 Ca 0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 2dmu h TRP 62 Cb 0.28 0.48 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 2dmu h TRP 62 CO 0.01 -0.52 0.26 0.07 -2.79 0.00 0.00 178.44 175.47 2dmu h ARG 63 N -0.69 0.80 -0.53 2.65 0.11 -0.96 -2.92 114.38 112.84 2dmu h ARG 63 Ca 0.01 -0.12 0.10 0.00 0.10 0.00 0.00 59.98 60.07 2dmu h ARG 63 Cb 0.69 -0.14 -0.09 0.00 1.11 0.00 0.00 29.97 31.54 2dmu h ARG 63 CO -0.19 0.66 0.00 -0.09 0.10 0.00 0.00 179.97 180.45 2dmu h ARG 64 N 0.74 0.11 -7.30 0.08 1.12 -0.39 -3.42 114.38 105.33 2dmu h ARG 64 Ca 0.19 -0.01 -0.46 0.00 -1.11 0.00 0.00 59.98 58.59 2dmu h ARG 64 Cb 0.13 -0.03 0.17 0.00 -0.01 0.00 0.00 29.97 30.23 2dmu h ARG 64 CO -0.02 0.08 0.18 -1.12 -3.11 0.00 0.00 179.97 175.97 2dmu s SER 65 N -5.25 2.59 -0.24 -3.80 0.01 -0.26 -4.66 113.70 102.08 2dmu s SER 65 Ca -0.13 1.43 -0.05 0.00 1.31 0.00 0.00 55.95 58.51 2dmu s SER 65 Cb 0.17 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.31 2dmu s SER 65 CO 0.73 -3.19 0.09 0.61 0.41 0.00 0.00 173.24 171.89 2dmu n GLY 66 N -0.62 -4.59 0.00 3.44 0.00 -1.26 -4.82 105.19 97.35 2dmu n GLY 66 Ca 0.06 0.91 0.07 0.00 0.00 0.00 0.00 46.02 47.06 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 1.02 0.49 -1.55 1.61 -0.04 -1.26 -4.84 135.00 130.41 2dmu n PRO 67 Ca -0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 2dmu n PRO 67 Cb 0.24 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2dmu n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmu n SER 68 N -0.98 0.17 -4.21 3.54 3.41 -1.26 -5.00 113.62 109.29 2dmu n SER 68 Ca 0.11 0.76 -0.30 0.00 -0.26 0.00 0.00 58.87 59.19 2dmu n SER 68 Cb 0.05 -1.33 -0.17 0.00 -0.26 0.00 0.00 64.21 62.51 2dmu n SER 68 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmu s SER 69 N -1.28 2.78 0.00 4.04 1.04 -1.26 -5.19 113.70 113.84 2dmu s SER 69 Ca 0.74 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2dmu s SER 69 Cb -0.41 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2dmu s SER 69 CO 0.49 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.50