#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roa n ASP 2 N 0.00 -0.90 -2.53 0.00 5.68 -1.26 -5.03 116.55 112.52 2roa n ASP 2 Ca 0.00 -1.86 -0.06 0.00 -0.50 0.00 0.00 54.79 52.37 2roa n ASP 2 Cb 0.00 1.56 0.03 0.00 -1.14 0.00 0.00 41.12 41.57 2roa n ASP 2 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 2roa n ILE 3 N -0.27 -6.26 0.06 2.12 5.41 -1.26 -4.97 119.36 114.19 2roa n ILE 3 Ca -0.02 -0.59 -0.16 0.00 1.00 0.00 0.00 62.75 62.98 2roa n ILE 3 Cb 0.29 -5.33 -0.07 0.00 -0.71 0.00 0.00 39.64 33.82 2roa n ILE 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2roa h LEU 4 N -0.33 0.68 0.00 1.39 3.38 -2.07 -3.43 115.31 114.94 2roa h LEU 4 Ca -0.24 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2roa h LEU 4 Cb 1.12 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2roa h LEU 4 CO 0.24 1.35 0.00 -0.24 0.09 0.00 0.00 178.44 179.88 2roa n SER 5 N -3.79 0.00 -2.32 -0.43 2.88 -1.26 -5.08 113.62 103.62 2roa n SER 5 Ca -0.08 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.44 2roa n SER 5 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 2roa n SER 5 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2roa n GLU 6 N 0.00 -0.94 -0.09 -1.46 1.02 -1.26 -5.00 120.64 112.91 2roa n GLU 6 Ca 0.00 1.18 -0.11 0.00 -0.02 0.00 0.00 57.16 58.21 2roa n GLU 6 Cb 0.00 -3.84 -0.04 0.00 -0.02 0.00 0.00 31.44 27.54 2roa n GLU 6 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2roa n GLU 7 N -1.06 0.50 -0.17 3.49 1.02 -1.26 -3.57 120.64 119.60 2roa n GLU 7 Ca 0.02 0.44 -0.01 0.00 -0.02 0.00 0.00 57.16 57.60 2roa n GLU 7 Cb 0.41 -1.63 0.24 0.00 -0.02 0.00 0.00 31.44 30.44 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2roa h GLN 8 N -1.00 0.89 -0.59 3.49 3.07 -2.00 -1.84 115.11 117.14 2roa h GLN 8 Ca -0.12 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 58.50 2roa h GLN 8 Cb 0.85 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 28.20 2roa h GLN 8 CO -0.07 0.67 0.28 0.82 0.09 0.00 0.00 178.83 180.62 2roa h ILE 9 N 0.90 1.21 -0.54 1.86 1.08 -1.98 -1.47 117.51 118.57 2roa h ILE 9 Ca 0.23 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 2roa h ILE 9 Cb 0.05 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 2roa h ILE 9 CO -0.03 0.24 0.28 0.58 -0.69 0.00 0.00 178.15 178.53 2roa h VAL 10 N 0.80 1.19 0.22 1.67 2.07 -1.46 0.65 116.25 121.38 2roa h VAL 10 Ca 0.20 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2roa h VAL 10 Cb 0.13 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2roa h VAL 10 CO -0.02 0.20 -0.23 0.44 0.02 0.00 0.00 177.57 177.98 2roa h ASP 11 N 0.72 -0.63 0.08 0.57 3.32 -0.95 0.73 116.42 120.26 2roa h ASP 11 Ca 0.19 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2roa h ASP 11 Cb 0.07 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2roa h ASP 11 CO -0.03 -0.34 -0.04 -0.26 -1.72 0.00 0.00 179.24 176.86 2roa h PHE 12 N -0.49 -0.09 -0.92 4.55 0.04 -1.09 -0.72 116.94 118.21 2roa h PHE 12 Ca 0.00 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 2roa h PHE 12 Cb 0.46 0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 2roa h PHE 12 CO -0.17 0.04 0.59 -0.22 -0.60 0.00 0.00 178.31 177.95 2roa h LYS 13 N -0.21 0.78 -0.60 1.51 1.63 0.54 0.13 116.57 120.35 2roa h LYS 13 Ca -0.01 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.64 2roa h LYS 13 Cb 0.18 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2roa h LYS 13 CO 0.02 0.51 -0.03 1.49 -3.45 0.00 0.00 179.45 178.00 2roa h GLU 14 N 0.80 1.07 -0.13 1.90 4.57 0.95 0.82 114.58 124.55 2roa h GLU 14 Ca 0.46 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2roa h GLU 14 Cb 0.62 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2roa h GLU 14 CO -0.22 1.05 0.07 0.00 -1.18 0.00 0.00 179.01 178.73 2roa h ALA 15 N 0.99 0.17 -0.08 2.92 0.00 0.67 -0.35 119.26 123.57 2roa h ALA 15 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2roa h ALA 15 Cb 0.59 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2roa h ALA 15 CO 0.04 -0.29 0.03 0.35 0.00 0.00 0.00 179.25 179.38 2roa h PHE 16 N 0.11 0.12 -0.44 0.00 3.04 -0.82 -0.21 116.94 118.73 2roa h PHE 16 Ca 0.05 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.06 2roa h PHE 16 Cb 0.09 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.50 2roa h PHE 16 CO -0.04 0.22 0.07 0.78 -2.02 0.00 0.00 178.31 177.32 2roa h GLY 17 N -0.02 0.51 1.18 2.40 0.00 -0.72 0.67 103.07 107.09 2roa h GLY 17 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 2roa h GLY 17 CO -0.00 -0.06 0.34 1.41 0.00 0.00 0.00 176.54 178.23 2roa h LEU 18 N 0.20 0.96 -0.23 3.11 4.07 -0.91 -2.78 115.31 119.72 2roa h LEU 18 Ca 0.22 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 2roa h LEU 18 Cb 0.28 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2roa h LEU 18 CO -0.30 0.82 -0.01 -0.26 -1.08 0.00 0.00 178.44 177.62 2roa h PHE 19 N 1.05 0.46 0.00 1.13 -1.00 0.84 -3.05 116.94 116.36 2roa h PHE 19 Ca 0.25 -0.08 -0.21 0.00 2.81 0.00 0.00 57.97 60.74 2roa h PHE 19 Cb 0.12 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.51 2roa h PHE 19 CO 0.01 0.60 -0.12 -3.47 -1.61 0.00 0.00 178.31 173.73 2roa n ASP 20 N -4.64 5.23 -0.35 2.17 -0.08 0.21 -4.64 116.55 114.45 2roa n ASP 20 Ca -0.04 -2.45 0.34 0.00 -1.51 0.00 0.00 54.79 51.14 2roa n ASP 20 Cb 0.25 -1.37 0.53 0.00 2.34 0.00 0.00 41.12 42.86 2roa n ASP 20 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2roa n LYS 21 N 2.59 0.01 0.09 -0.67 3.00 -1.16 0.26 118.16 122.27 2roa n LYS 21 Ca 0.43 1.02 -0.03 0.00 -0.00 0.00 0.00 58.31 59.73 2roa n LYS 21 Cb 0.84 -2.48 -0.06 0.00 0.00 0.00 0.00 35.03 33.34 2roa n LYS 21 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2roa h ASP 22 N 0.00 0.00 0.00 3.14 2.03 -1.88 -3.48 116.42 116.23 2roa h ASP 22 Ca 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.90 2roa h ASP 22 Cb 3.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.61 2roa h ASP 22 CO -0.01 0.77 0.00 0.61 -1.03 0.00 0.00 179.24 179.58 2roa n GLY 23 N 1.32 0.47 0.00 7.15 0.00 0.72 -4.89 105.19 109.96 2roa n GLY 23 Ca -0.01 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.74 2roa n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2roa n ASP 24 N 0.54 0.01 0.00 1.61 5.68 -1.26 -4.80 116.55 118.33 2roa n ASP 24 Ca 0.00 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 2roa n ASP 24 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 2roa n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2roa n GLY 25 N -0.93 2.38 2.96 6.12 0.00 -1.26 -5.01 105.19 109.45 2roa n GLY 25 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2roa n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roa s ILE 27 N 0.29 5.27 0.76 0.00 1.01 -0.78 -4.93 121.20 122.81 2roa s ILE 27 Ca -0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 2roa s ILE 27 Cb -0.08 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.71 2roa s ILE 27 CO 0.00 -0.01 1.10 0.42 0.00 0.00 0.00 174.94 176.45 2roa s THR 28 N 1.77 3.17 0.26 2.92 -4.23 -1.26 -1.04 115.64 117.22 2roa s THR 28 Ca 0.07 0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.92 2roa s THR 28 Cb -0.17 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.66 2roa s THR 28 CO 0.11 -0.49 1.89 1.62 -0.54 0.00 0.00 174.62 177.21 2roa h VAL 29 N -0.88 1.14 -0.72 2.29 3.04 -1.95 0.35 116.25 119.52 2roa h VAL 29 Ca -0.46 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 2roa h VAL 29 Cb 1.27 -0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 2roa h VAL 29 CO 0.62 0.22 0.42 -0.33 -1.01 0.00 0.00 177.57 177.49 2roa h GLU 30 N 1.22 0.99 -0.39 4.17 5.08 -1.92 0.28 114.58 124.01 2roa h GLU 30 Ca 0.41 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2roa h GLU 30 Cb 0.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2roa h GLU 30 CO -0.14 0.72 -0.34 0.93 -1.00 0.00 0.00 179.01 179.18 2roa h GLU 31 N 0.99 0.90 -0.40 2.33 5.08 -1.64 -1.86 114.58 119.98 2roa h GLU 31 Ca 0.26 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2roa h GLU 31 Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2roa h GLU 31 CO -0.05 1.10 0.18 1.25 -1.00 0.00 0.00 179.01 180.50 2roa h LEU 32 N 0.75 0.54 -1.09 1.33 7.12 0.16 -1.16 115.31 122.95 2roa h LEU 32 Ca 0.07 -0.14 0.08 0.00 0.13 0.00 0.00 57.88 58.02 2roa h LEU 32 Cb 0.92 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.84 2roa h LEU 32 CO 0.09 0.53 0.61 0.00 -0.13 0.00 0.00 178.44 179.54 2roa h ALA 33 N 1.03 1.50 -0.48 1.25 0.00 -0.29 0.13 119.26 122.40 2roa h ALA 33 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2roa h ALA 33 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2roa h ALA 33 CO -0.02 0.33 0.22 1.15 0.00 0.00 0.00 179.25 180.94 2roa h THR 34 N 1.05 1.19 -0.43 0.00 2.02 -0.56 0.33 112.91 116.50 2roa h THR 34 Ca 0.43 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2roa h THR 34 Cb 0.27 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2roa h THR 34 CO -0.18 0.22 0.19 0.58 0.37 0.00 0.00 175.52 176.69 2roa h VAL 35 N 0.63 1.19 -0.69 3.16 2.07 0.04 -1.52 116.25 121.13 2roa h VAL 35 Ca 0.16 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2roa h VAL 35 Cb 0.13 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2roa h VAL 35 CO -0.02 0.22 0.31 0.40 0.02 0.00 0.00 177.57 178.50 2roa h ILE 36 N 0.56 1.24 -0.87 4.57 1.08 -0.50 -0.26 117.51 123.32 2roa h ILE 36 Ca 0.15 -0.70 0.06 0.00 -0.39 0.00 0.00 64.86 63.98 2roa h ILE 36 Cb 0.17 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 2roa h ILE 36 CO -0.01 0.29 0.54 -0.09 -0.69 0.00 0.00 178.15 178.18 2roa h ARG 37 N 0.97 0.96 -0.05 2.37 2.43 0.02 -1.67 114.38 119.41 2roa h ARG 37 Ca 0.24 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.18 2roa h ARG 37 Cb 0.16 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2roa h ARG 37 CO -0.03 0.63 -0.70 1.03 -1.51 0.00 0.00 179.97 179.40 2roa h SER 38 N 0.98 0.30 -0.52 -3.80 0.87 -0.81 -3.29 113.55 107.28 2roa h SER 38 Ca 0.38 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2roa h SER 38 Cb 0.18 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2roa h SER 38 CO -0.18 0.90 0.29 -0.07 -0.53 0.00 0.00 176.83 177.24 2roa h LEU 39 N 0.18 0.65 0.00 2.23 3.38 -0.11 -3.46 115.31 118.18 2roa h LEU 39 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2roa h LEU 39 Cb 1.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2roa h LEU 39 CO 0.11 0.56 0.00 -0.90 0.09 0.00 0.00 178.44 178.29 2roa n ASP 40 N -4.64 0.00 -4.36 -0.43 5.68 -1.02 -5.11 116.55 106.67 2roa n ASP 40 Ca 0.02 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.13 2roa n ASP 40 Cb 0.08 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.96 2roa n ASP 40 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2roa s GLN 41 N 0.00 1.41 -0.45 0.11 -1.52 -1.02 -5.05 119.66 113.13 2roa s GLN 41 Ca 0.00 -1.71 0.07 0.00 -1.95 0.00 0.00 55.36 51.77 2roa s GLN 41 Cb 0.00 -0.82 0.24 0.00 -0.22 0.00 0.00 33.01 32.21 2roa s GLN 41 CO 0.00 -0.04 0.73 0.27 -0.25 0.00 0.00 175.29 176.00 2roa n ASN 42 N -0.47 -1.75 -4.75 5.90 0.23 -1.26 -2.75 115.26 110.41 2roa n ASN 42 Ca -0.05 -3.04 -0.34 0.00 -0.53 0.00 0.00 54.58 50.61 2roa n ASN 42 Cb 0.64 0.86 0.05 0.00 -2.08 0.00 0.00 39.78 39.25 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 2roa s PRO 43 N 0.01 2.74 0.62 -0.53 0.02 -1.26 -5.02 135.00 131.57 2roa s PRO 43 Ca 0.33 1.63 -0.09 0.00 0.02 0.00 0.00 61.00 62.88 2roa s PRO 43 Cb 0.19 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.78 2roa s PRO 43 CO -0.19 -1.34 0.99 0.95 -0.33 0.00 0.00 177.00 177.08 2roa s THR 44 N -1.98 4.13 0.30 0.99 -4.23 -1.26 -4.70 115.64 108.88 2roa s THR 44 Ca 0.72 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2roa s THR 44 Cb -0.26 -3.66 0.41 0.00 1.34 0.00 0.00 72.50 70.34 2roa s THR 44 CO 0.38 -0.79 1.57 -0.33 -0.54 0.00 0.00 174.62 174.91 2roa h GLU 45 N -0.31 0.01 -0.30 3.99 4.39 -1.97 0.48 114.58 120.86 2roa h GLU 45 Ca -0.45 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.32 2roa h GLU 45 Cb 1.23 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.79 2roa h GLU 45 CO 0.62 0.01 -0.29 0.93 -1.16 0.00 0.00 179.01 179.12 2roa h GLU 46 N 0.01 -0.27 -0.45 2.33 4.39 -1.98 2.19 114.58 120.81 2roa h GLU 46 Ca 0.58 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.25 2roa h GLU 46 Cb 1.16 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2roa h GLU 46 CO -0.93 -0.18 0.11 0.93 -1.16 0.00 0.00 179.01 177.78 2roa h GLU 47 N -0.28 0.72 -0.57 2.33 5.08 -0.53 0.22 114.58 121.56 2roa h GLU 47 Ca 0.15 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2roa h GLU 47 Cb 0.51 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2roa h GLU 47 CO -0.45 0.72 0.26 -0.07 -1.00 0.00 0.00 179.01 178.47 2roa h LEU 48 N 0.60 0.75 0.03 1.33 3.38 0.21 0.45 115.31 122.05 2roa h LEU 48 Ca 0.14 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2roa h LEU 48 Cb 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2roa h LEU 48 CO 0.00 0.69 -0.01 -0.61 0.09 0.00 0.00 178.44 178.59 2roa h GLN 49 N 0.77 -0.03 -0.45 1.13 4.15 0.38 0.71 115.11 121.76 2roa h GLN 49 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2roa h GLN 49 Cb 0.14 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2roa h GLN 49 CO -0.02 0.19 0.19 0.22 -1.93 0.00 0.00 178.83 177.48 2roa h ASP 50 N -0.26 0.57 -0.03 -0.69 1.82 -0.38 1.61 116.42 119.05 2roa h ASP 50 Ca -0.00 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.55 2roa h ASP 50 Cb 0.24 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.11 2roa h ASP 50 CO 0.01 0.51 -0.10 -0.03 -1.61 0.00 0.00 179.24 178.02 2roa h MET 51 N 0.63 0.13 -0.43 0.28 4.05 0.16 -0.31 114.93 119.43 2roa h MET 51 Ca 0.16 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2roa h MET 51 Cb 0.11 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 2roa h MET 51 CO -0.02 0.71 0.13 0.82 0.23 0.00 0.00 176.91 178.78 2roa h ILE 52 N -0.43 1.22 -0.53 1.77 2.04 0.80 -2.76 117.51 119.61 2roa h ILE 52 Ca -0.00 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2roa h ILE 52 Cb 0.72 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2roa h ILE 52 CO 0.02 0.27 0.32 0.28 0.00 0.00 0.00 178.15 179.04 2roa h SER 53 N 0.56 0.51 -1.02 1.72 0.02 0.23 1.55 113.55 117.13 2roa h SER 53 Ca 0.14 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 61.39 2roa h SER 53 Cb 0.28 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 2roa h SER 53 CO -0.00 0.36 0.91 -0.08 -1.14 0.00 0.00 176.83 176.88 2roa h GLU 54 N 0.63 0.00 0.00 3.45 4.57 -0.74 -1.28 114.58 121.21 2roa h GLU 54 Ca 0.21 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.36 2roa h GLU 54 Cb 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2roa h GLU 54 CO -0.10 0.00 -1.25 1.55 -1.18 0.00 0.00 179.01 178.03 2roa n VAL 55 N -3.76 0.13 -1.55 0.32 3.14 -0.36 -4.85 118.33 111.39 2roa n VAL 55 Ca 0.22 -0.14 -0.25 0.00 -2.96 0.00 0.00 64.34 61.21 2roa n VAL 55 Cb 1.24 -0.17 -0.10 0.00 -1.06 0.00 0.00 33.84 33.75 2roa n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2roa n ASP 56 N -1.88 1.91 0.00 6.55 -0.08 0.52 -4.61 116.55 118.96 2roa n ASP 56 Ca -0.04 -2.57 -0.00 0.00 -1.51 0.00 0.00 54.79 50.67 2roa n ASP 56 Cb 0.35 -1.53 0.30 0.00 2.34 0.00 0.00 41.12 42.58 2roa n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roa h ALA 57 N 10.57 1.37 0.00 -1.67 0.00 -1.86 -2.73 119.26 124.93 2roa h ALA 57 Ca 0.13 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2roa h ALA 57 Cb 0.92 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2roa h ALA 57 CO 1.28 0.44 -1.04 0.38 0.00 0.00 0.00 179.25 180.31 2roa h ASP 58 N 0.50 0.00 -5.06 0.00 2.03 -1.96 -3.49 116.42 108.44 2roa h ASP 58 Ca 0.11 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.36 2roa h ASP 58 Cb 0.34 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.87 2roa h ASP 58 CO 0.01 0.33 -0.16 0.61 -1.03 0.00 0.00 179.24 179.00 2roa n GLY 59 N 1.28 -1.06 0.00 7.15 0.00 -1.03 -4.98 105.19 106.55 2roa n GLY 59 Ca -0.04 0.40 0.04 0.00 0.00 0.00 0.00 46.02 46.42 2roa n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2roa n ASN 60 N -1.95 1.85 0.00 1.61 0.23 -1.26 -5.00 115.26 110.74 2roa n ASN 60 Ca -0.01 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.71 2roa n ASN 60 Cb 0.52 1.19 0.00 0.00 -2.08 0.00 0.00 39.78 39.41 2roa n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2roa n GLY 61 N 1.64 0.87 3.24 4.83 0.00 -1.26 -5.06 105.19 109.45 2roa n GLY 61 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2roa n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2roa s THR 62 N -2.00 0.00 -0.12 2.61 -4.23 -1.26 -3.93 115.64 106.71 2roa s THR 62 Ca 0.00 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 2roa s THR 62 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2roa s THR 62 CO 0.00 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.23 2roa s ILE 63 N -4.08 2.14 0.40 2.99 1.01 -0.21 -4.93 121.20 118.51 2roa s ILE 63 Ca 0.38 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2roa s ILE 63 Cb 0.06 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2roa s ILE 63 CO 0.13 0.55 0.55 -0.70 0.00 0.00 0.00 174.94 175.47 2roa s GLU 64 N 0.59 2.95 0.17 2.79 2.12 -1.26 -1.86 118.70 124.19 2roa s GLU 64 Ca -0.12 -1.05 -0.16 0.00 0.36 0.00 0.00 54.97 53.99 2roa s GLU 64 Cb -0.17 -2.75 0.10 0.00 0.26 0.00 0.00 34.13 31.57 2roa s GLU 64 CO 0.03 -0.16 1.68 0.35 -0.54 0.00 0.00 175.26 176.62 2roa h PHE 65 N 0.69 -0.12 -0.75 5.30 3.57 -1.98 1.10 116.94 124.74 2roa h PHE 65 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2roa h PHE 65 Cb 1.27 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 2roa h PHE 65 CO 0.41 -0.13 0.48 -0.44 -2.23 0.00 0.00 178.31 176.40 2roa h ASP 66 N 0.05 0.88 -0.39 0.41 3.32 -1.98 0.34 116.42 119.05 2roa h ASP 66 Ca 0.19 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2roa h ASP 66 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2roa h ASP 66 CO -0.37 0.65 0.02 -0.33 -1.72 0.00 0.00 179.24 177.49 2roa h GLU 67 N 1.02 0.67 -0.54 3.56 5.08 -1.57 -0.38 114.58 122.42 2roa h GLU 67 Ca 0.27 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2roa h GLU 67 Cb -0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2roa h GLU 67 CO -0.06 0.75 0.28 0.35 -1.00 0.00 0.00 179.01 179.34 2roa h PHE 68 N 0.50 0.75 -0.65 4.33 3.57 0.17 0.98 116.94 126.59 2roa h PHE 68 Ca 0.11 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2roa h PHE 68 Cb 0.44 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2roa h PHE 68 CO 0.03 0.56 0.25 1.25 -2.23 0.00 0.00 178.31 178.17 2roa h LEU 69 N 0.72 0.91 -0.08 0.59 5.85 -0.19 -0.89 115.31 122.22 2roa h LEU 69 Ca 0.19 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2roa h LEU 69 Cb 0.07 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2roa h LEU 69 CO -0.03 0.84 0.02 0.28 -0.34 0.00 0.00 178.44 179.21 2roa h SER 70 N 0.92 0.12 -0.90 1.25 0.02 -0.69 0.20 113.55 114.48 2roa h SER 70 Ca 0.22 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2roa h SER 70 Cb 0.22 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 2roa h SER 70 CO -0.02 0.34 0.58 0.25 -1.14 0.00 0.00 176.83 176.85 2roa h LEU 71 N -0.10 0.98 0.44 5.07 5.85 -0.67 2.14 115.31 129.02 2roa h LEU 71 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2roa h LEU 71 Cb 0.27 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2roa h LEU 71 CO 0.00 0.68 -0.21 0.24 -0.34 0.00 0.00 178.44 178.81 2roa h MET 72 N 1.14 -0.57 0.00 1.25 2.86 -1.04 -1.86 114.93 116.71 2roa h MET 72 Ca 0.35 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.02 2roa h MET 72 Cb -0.02 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2roa h MET 72 CO -0.11 -0.28 -0.06 0.00 1.06 0.00 0.00 176.91 177.52 2roa h ALA 73 N -0.79 1.91 -0.41 6.32 0.00 -0.41 -1.21 119.26 124.67 2roa h ALA 73 Ca -0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2roa h ALA 73 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2roa h ALA 73 CO 0.10 0.07 -0.07 -0.22 0.00 0.00 0.00 179.25 179.13 2roa h LYS 74 N 0.00 0.69 -0.14 0.00 3.64 0.36 0.39 116.57 121.51 2roa h LYS 74 Ca -0.00 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 2roa h LYS 74 Cb 0.10 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2roa h LYS 74 CO 0.01 0.75 -0.30 0.87 -2.27 0.00 0.00 179.45 178.51 2roa h LYS 75 N 0.64 0.44 0.00 1.90 1.79 -0.37 -3.05 116.57 117.92 2roa h LYS 75 Ca 0.12 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2roa h LYS 75 Cb 0.50 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2roa h LYS 75 CO 0.03 0.90 0.00 1.55 -1.08 0.00 0.00 179.45 180.85 2roa n VAL 76 N -4.40 0.04 0.16 0.50 3.14 -0.89 -3.72 118.33 113.16 2roa n VAL 76 Ca -0.07 0.01 0.04 0.00 -2.96 0.00 0.00 64.34 61.36 2roa n VAL 76 Cb 0.47 -0.52 0.21 0.00 -1.06 0.00 0.00 33.84 32.94 2roa n VAL 76 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2roa n LYS 77 N -1.39 0.06 0.20 1.45 4.81 0.14 -0.91 118.16 122.52 2roa n LYS 77 Ca 0.11 0.52 -0.15 0.00 -0.87 0.00 0.00 58.31 57.92 2roa n LYS 77 Cb 0.28 -2.15 -0.07 0.00 0.02 0.00 0.00 35.03 33.11 2roa n LYS 77 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2roa h ASP 78 N 0.00 -0.66 0.00 3.14 3.58 -1.80 -3.51 116.42 117.17 2roa h ASP 78 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2roa h ASP 78 Cb 0.93 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2roa h ASP 78 CO 0.00 -0.38 0.00 1.07 -2.88 0.00 0.00 179.24 177.05