#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 -1.21 -4.86 0.00 8.00 -1.26 -4.96 116.55 112.26 2roa n ASP 2 Ca 0.00 -0.82 -0.31 0.00 0.71 0.00 0.00 54.79 54.36 2roa n ASP 2 Cb 0.00 -4.04 -0.04 0.00 -0.02 0.00 0.00 41.12 37.02 2roa n ASP 2 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2roa s ILE 3 N -3.67 4.70 0.48 0.53 -0.00 -1.26 -4.96 121.20 117.02 2roa s ILE 3 Ca 0.01 0.85 0.24 0.00 -0.00 0.00 0.00 60.65 61.74 2roa s ILE 3 Cb -0.00 -3.69 0.28 0.00 -0.00 0.00 0.00 42.46 39.05 2roa s ILE 3 CO 0.81 -0.43 2.10 0.17 -0.00 0.00 0.00 174.94 177.60 2roa h LEU 4 N 1.55 0.00 -1.10 0.37 -0.00 -2.04 -2.49 115.31 111.59 2roa h LEU 4 Ca -0.47 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 57.57 2roa h LEU 4 Cb 1.18 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.75 2roa h LEU 4 CO 0.64 0.10 0.61 0.77 -0.00 0.00 0.00 178.44 180.56 2roa h SER 5 N 0.00 0.77 0.00 0.17 4.64 -2.02 -2.42 113.55 114.69 2roa h SER 5 Ca -0.00 0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 2roa h SER 5 Cb 0.22 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 2roa h SER 5 CO 0.01 0.33 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.60 2roa n GLU 6 N -4.66 1.27 -0.08 4.77 1.02 -0.94 -4.15 120.64 117.86 2roa n GLU 6 Ca 0.21 -0.59 -0.13 0.00 -0.02 0.00 0.00 57.16 56.62 2roa n GLU 6 Cb 0.51 -1.76 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 2roa n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2roa h GLU 7 N 3.73 0.00 -0.57 3.49 4.81 -1.68 -3.16 114.58 121.19 2roa h GLU 7 Ca 0.11 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2roa h GLU 7 Cb 0.98 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2roa h GLU 7 CO 0.28 0.57 0.10 -0.56 -0.73 0.00 0.00 179.01 178.66 2roa h GLN 8 N -1.00 0.91 -0.50 1.92 -0.00 -1.87 -2.16 115.11 112.40 2roa h GLN 8 Ca -0.16 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.25 2roa h GLN 8 Cb 0.89 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.48 28.22 2roa h GLN 8 CO -0.10 0.84 0.22 0.82 -0.00 0.00 0.00 178.83 180.60 2roa h ILE 9 N 0.86 1.21 -0.22 1.86 2.04 -1.84 0.58 117.51 121.99 2roa h ILE 9 Ca 0.18 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2roa h ILE 9 Cb 0.37 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2roa h ILE 9 CO 0.01 0.24 0.14 0.58 0.00 0.00 0.00 178.15 179.11 2roa h VAL 10 N 0.67 1.08 -0.33 1.67 2.07 -1.45 0.88 116.25 120.83 2roa h VAL 10 Ca 0.17 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2roa h VAL 10 Cb 0.17 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2roa h VAL 10 CO -0.02 0.07 0.01 -0.78 0.02 0.00 0.00 177.57 176.87 2roa h ASP 11 N 0.28 0.57 -0.04 0.57 1.82 -1.18 -0.78 116.42 117.66 2roa h ASP 11 Ca 0.08 -0.30 -0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2roa h ASP 11 Cb -0.00 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 2roa h ASP 11 CO -0.02 0.73 0.02 -0.26 -1.61 0.00 0.00 179.24 178.10 2roa h PHE 12 N 0.38 0.05 -0.24 0.28 -1.00 0.48 -1.43 116.94 115.47 2roa h PHE 12 Ca 0.09 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 2roa h PHE 12 Cb 0.44 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 2roa h PHE 12 CO 0.04 0.12 0.16 -0.22 -1.61 0.00 0.00 178.31 176.79 2roa h LYS 13 N -0.03 0.31 -0.59 1.51 3.64 0.84 -0.84 116.57 121.41 2roa h LYS 13 Ca 0.01 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2roa h LYS 13 Cb 0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2roa h LYS 13 CO -0.00 0.21 -0.01 1.49 -2.27 0.00 0.00 179.45 178.87 2roa h GLU 14 N 0.32 1.05 -0.25 1.90 4.57 -0.53 0.13 114.58 121.77 2roa h GLU 14 Ca 0.09 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 2roa h GLU 14 Cb -0.03 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2roa h GLU 14 CO -0.02 1.03 0.11 0.00 -1.18 0.00 0.00 179.01 178.95 2roa h ALA 15 N 1.02 0.33 -0.08 2.92 0.00 -0.13 -0.49 119.26 122.82 2roa h ALA 15 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2roa h ALA 15 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2roa h ALA 15 CO 0.03 -0.10 0.03 0.35 0.00 0.00 0.00 179.25 179.56 2roa h PHE 16 N 0.27 0.12 -0.57 0.00 3.04 -1.12 -0.66 116.94 118.01 2roa h PHE 16 Ca 0.09 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.10 2roa h PHE 16 Cb 0.14 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 2roa h PHE 16 CO -0.02 0.25 0.23 0.78 -2.02 0.00 0.00 178.31 177.54 2roa h GLY 17 N -0.05 0.80 1.09 2.40 0.00 -0.64 0.30 103.07 106.98 2roa h GLY 17 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2roa h GLY 17 CO -0.00 0.02 0.34 -2.00 0.00 0.00 0.00 176.54 174.90 2roa h LEU 18 N 0.43 1.06 -0.52 3.11 6.46 -0.93 -2.68 115.31 122.23 2roa h LEU 18 Ca 0.28 -0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 2roa h LEU 18 Cb 0.30 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2roa h LEU 18 CO -0.26 0.92 0.15 -0.26 -0.62 0.00 0.00 178.44 178.36 2roa h PHE 19 N 1.14 0.85 -0.13 1.25 -1.00 0.52 -3.03 116.94 116.54 2roa h PHE 19 Ca 0.27 -0.09 -0.41 0.00 2.81 0.00 0.00 57.97 60.54 2roa h PHE 19 Cb 0.17 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 2roa h PHE 19 CO 0.02 0.74 1.36 -3.47 -1.61 0.00 0.00 178.31 175.35 2roa n ASP 20 N -4.46 6.76 -0.55 2.17 -0.08 0.90 -4.70 116.55 116.59 2roa n ASP 20 Ca 0.02 -2.59 0.43 0.00 -1.51 0.00 0.00 54.79 51.13 2roa n ASP 20 Cb 0.21 -1.46 0.68 0.00 2.34 0.00 0.00 41.12 42.90 2roa n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2roa n LYS 21 N 2.75 -0.01 0.12 -0.67 5.02 -1.15 0.29 118.16 124.51 2roa n LYS 21 Ca 0.58 1.03 0.02 0.00 -2.02 0.00 0.00 58.31 57.91 2roa n LYS 21 Cb 0.61 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 2roa n LYS 21 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2roa h ASP 22 N 0.00 0.00 -0.06 4.39 2.03 -1.89 -3.48 116.42 117.42 2roa h ASP 22 Ca 0.82 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 57.10 2roa h ASP 22 Cb 3.04 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 41.53 2roa h ASP 22 CO -0.18 0.54 -0.02 0.61 -1.03 0.00 0.00 179.24 179.16 2roa n GLY 23 N 1.25 0.51 0.00 7.15 0.00 0.85 -4.87 105.19 110.08 2roa n GLY 23 Ca 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 0.63 0.00 0.00 1.61 5.75 -1.26 -4.76 116.55 118.52 2roa n ASP 24 Ca -0.01 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 2roa n ASP 24 Cb 0.08 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2roa n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roa n GLY 25 N -0.92 2.87 2.99 6.12 0.00 -1.26 -4.97 105.19 110.01 2roa n GLY 25 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 0.67 4.95 0.75 0.00 1.01 -0.79 -4.91 121.20 122.89 2roa s ILE 27 Ca -0.13 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 2roa s ILE 27 Cb -0.15 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2roa s ILE 27 CO 0.03 -0.45 1.10 0.42 0.00 0.00 0.00 174.94 176.03 2roa s THR 28 N 2.51 3.30 0.37 2.92 -4.23 -1.26 -1.31 115.64 117.94 2roa s THR 28 Ca 0.18 0.42 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 2roa s THR 28 Cb -0.15 -3.30 0.29 0.00 1.34 0.00 0.00 72.50 70.68 2roa s THR 28 CO 0.16 -0.55 1.97 1.62 -0.54 0.00 0.00 174.62 177.28 2roa h VAL 29 N -0.85 1.01 -0.50 2.29 3.04 -1.94 0.19 116.25 119.48 2roa h VAL 29 Ca -0.46 -0.24 -0.07 0.00 -1.01 0.00 0.00 66.70 64.92 2roa h VAL 29 Cb 1.26 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 2roa h VAL 29 CO 0.62 0.13 0.04 -0.33 -1.01 0.00 0.00 177.57 177.01 2roa h GLU 30 N 0.70 0.86 -0.43 4.17 5.08 -1.92 0.15 114.58 123.20 2roa h GLU 30 Ca 0.30 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2roa h GLU 30 Cb 0.27 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2roa h GLU 30 CO -0.10 0.87 -0.19 0.93 -1.00 0.00 0.00 179.01 179.53 2roa h GLU 31 N 0.73 0.83 -0.40 2.33 5.08 -1.57 -2.03 114.58 119.54 2roa h GLU 31 Ca 0.15 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2roa h GLU 31 Cb 0.46 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2roa h GLU 31 CO 0.02 0.95 0.15 1.25 -1.00 0.00 0.00 179.01 180.38 2roa h LEU 32 N 0.73 0.57 -0.96 1.33 5.85 -0.43 -1.42 115.31 120.98 2roa h LEU 32 Ca 0.11 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.74 2roa h LEU 32 Cb 0.71 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 2roa h LEU 32 CO 0.05 0.60 0.60 0.00 -0.34 0.00 0.00 178.44 179.35 2roa h ALA 33 N 0.99 1.38 -0.57 1.25 0.00 -0.70 0.36 119.26 121.98 2roa h ALA 33 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2roa h ALA 33 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2roa h ALA 33 CO -0.01 0.27 0.27 1.15 0.00 0.00 0.00 179.25 180.93 2roa h THR 34 N 1.00 1.21 -0.12 0.00 2.02 -0.80 1.07 112.91 117.29 2roa h THR 34 Ca 0.45 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2roa h THR 34 Cb 0.35 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2roa h THR 34 CO -0.23 0.24 0.01 0.58 0.37 0.00 0.00 175.52 176.49 2roa h VAL 35 N 0.77 1.24 -0.62 3.16 2.07 0.06 -0.89 116.25 122.03 2roa h VAL 35 Ca 0.19 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 2roa h VAL 35 Cb 0.13 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2roa h VAL 35 CO -0.02 0.22 0.03 0.40 0.02 0.00 0.00 177.57 178.22 2roa h ILE 36 N -0.04 1.26 -0.77 4.57 2.04 -0.23 0.24 117.51 124.58 2roa h ILE 36 Ca 0.04 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.79 2roa h ILE 36 Cb 0.34 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2roa h ILE 36 CO 0.00 0.41 0.50 -0.09 0.00 0.00 0.00 178.15 178.98 2roa h ARG 37 N 0.99 0.98 0.00 2.37 2.43 0.13 -1.44 114.38 119.84 2roa h ARG 37 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2roa h ARG 37 Cb 0.52 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2roa h ARG 37 CO 0.03 0.65 -0.23 0.45 -1.51 0.00 0.00 179.97 179.36 2roa n SER 38 N -4.57 0.72 -0.16 -3.80 2.88 -0.35 -3.92 113.62 104.42 2roa n SER 38 Ca 0.08 0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 57.92 2roa n SER 38 Cb 0.04 -0.43 -0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2roa n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2roa h LEU 39 N 0.00 0.73 0.00 2.46 5.85 0.61 -3.46 115.31 121.49 2roa h LEU 39 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2roa h LEU 39 Cb 0.72 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2roa h LEU 39 CO 0.00 0.81 0.00 0.47 -0.34 0.00 0.00 178.44 179.38 2roa n ASP 40 N -4.45 0.00 -3.89 1.25 8.00 -1.18 -5.08 116.55 111.20 2roa n ASP 40 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2roa n ASP 40 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 2roa n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2roa s GLN 41 N 0.00 1.09 -0.43 -1.24 -2.07 -1.20 -5.10 119.66 110.71 2roa s GLN 41 Ca 0.00 -1.06 0.06 0.00 -1.82 0.00 0.00 55.36 52.54 2roa s GLN 41 Cb 0.00 0.39 0.21 0.00 -1.09 0.00 0.00 33.01 32.52 2roa s GLN 41 CO 0.00 -0.40 0.45 0.09 -1.32 0.00 0.00 175.29 174.12 2roa n ASN 42 N -0.19 0.28 -4.67 12.60 3.02 -1.26 -3.21 115.26 121.82 2roa n ASN 42 Ca -0.10 -2.63 -0.30 0.00 -0.03 0.00 0.00 54.58 51.52 2roa n ASN 42 Cb 0.63 -0.61 0.16 0.00 -0.61 0.00 0.00 39.78 39.35 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2roa s PRO 43 N -0.73 0.99 0.42 3.52 0.02 -1.26 -5.01 135.00 132.96 2roa s PRO 43 Ca 0.34 1.16 -0.16 0.00 0.02 0.00 0.00 61.00 62.36 2roa s PRO 43 Cb 0.10 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.78 2roa s PRO 43 CO -0.15 -2.53 0.88 0.95 -0.33 0.00 0.00 177.00 175.82 2roa s THR 44 N -2.74 4.58 0.34 0.99 -4.23 -1.26 -4.85 115.64 108.47 2roa s THR 44 Ca 0.65 1.12 0.15 0.00 -1.18 0.00 0.00 61.69 62.43 2roa s THR 44 Cb -0.21 -3.66 0.36 0.00 1.34 0.00 0.00 72.50 70.33 2roa s THR 44 CO 0.58 -0.44 1.53 -0.62 -0.54 0.00 0.00 174.62 175.14 2roa n GLU 45 N -0.98 -0.06 -0.14 3.99 1.02 -1.26 0.10 120.64 123.32 2roa n GLU 45 Ca 0.05 1.37 -0.04 0.00 -0.02 0.00 0.00 57.16 58.52 2roa n GLU 45 Cb 0.54 -2.38 0.02 0.00 -0.02 0.00 0.00 31.44 29.60 2roa n GLU 45 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2roa h GLU 46 N 0.00 -0.05 -0.67 3.49 5.08 -1.99 0.86 114.58 121.30 2roa h GLU 46 Ca 0.76 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.09 2roa h GLU 46 Cb 1.90 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 2roa h GLU 46 CO -0.79 -0.03 0.29 0.93 -1.00 0.00 0.00 179.01 178.40 2roa h GLU 47 N -0.05 0.99 -0.66 2.33 5.08 0.33 0.08 114.58 122.69 2roa h GLU 47 Ca 0.21 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2roa h GLU 47 Cb 0.38 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2roa h GLU 47 CO -0.48 0.81 0.33 -0.07 -1.00 0.00 0.00 179.01 178.60 2roa h LEU 48 N 0.95 0.85 0.11 1.33 4.07 -0.46 0.16 115.31 122.32 2roa h LEU 48 Ca 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2roa h LEU 48 Cb 0.18 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.70 2roa h LEU 48 CO -0.02 0.74 -0.05 -0.61 -1.08 0.00 0.00 178.44 177.41 2roa h GLN 49 N 0.91 -0.14 -0.62 1.13 4.15 0.11 0.70 115.11 121.35 2roa h GLN 49 Ca 0.23 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2roa h GLN 49 Cb 0.10 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 2roa h GLN 49 CO -0.03 0.05 0.37 0.22 -1.93 0.00 0.00 178.83 177.51 2roa h ASP 50 N -0.31 0.74 -0.08 -0.69 3.58 -0.81 1.45 116.42 120.29 2roa h ASP 50 Ca -0.02 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 2roa h ASP 50 Cb 0.25 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2roa h ASP 50 CO 0.02 0.57 -0.17 0.24 -2.88 0.00 0.00 179.24 177.02 2roa h MET 51 N 0.85 0.27 -0.47 0.28 2.86 -0.41 -1.07 114.93 117.23 2roa h MET 51 Ca 0.22 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2roa h MET 51 Cb -0.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2roa h MET 51 CO -0.04 0.76 0.11 0.82 1.06 0.00 0.00 176.91 179.62 2roa h ILE 52 N -0.20 1.24 -0.52 -1.22 2.04 0.90 -2.82 117.51 116.93 2roa h ILE 52 Ca 0.00 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.05 2roa h ILE 52 Cb 0.75 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2roa h ILE 52 CO 0.04 0.30 0.31 -1.28 0.00 0.00 0.00 178.15 177.52 2roa h SER 53 N 0.63 0.51 -0.78 1.72 0.87 0.20 2.53 113.55 119.23 2roa h SER 53 Ca 0.15 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.94 2roa h SER 53 Cb 0.33 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2roa h SER 53 CO 0.00 0.36 0.62 -0.08 -0.53 0.00 0.00 176.83 177.20 2roa h GLU 54 N 0.62 0.00 0.00 2.24 4.22 -0.93 -2.63 114.58 118.10 2roa h GLU 54 Ca 0.21 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.48 2roa h GLU 54 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2roa h GLU 54 CO -0.10 0.00 -1.65 1.55 -2.18 0.00 0.00 179.01 176.63 2roa n VAL 55 N -4.07 0.66 -1.75 0.32 3.14 -0.43 -4.82 118.33 111.36 2roa n VAL 55 Ca 0.16 -0.36 -0.19 0.00 -2.96 0.00 0.00 64.34 60.98 2roa n VAL 55 Cb 0.90 -0.79 -0.10 0.00 -1.06 0.00 0.00 33.84 32.79 2roa n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2roa s ASP 56 N -4.41 3.94 0.40 6.55 -1.08 0.84 -4.65 116.67 118.26 2roa s ASP 56 Ca -0.08 -1.16 0.12 0.00 -0.52 0.00 0.00 52.55 50.92 2roa s ASP 56 Cb 0.03 -2.59 0.93 0.00 -1.46 0.00 0.00 42.92 39.83 2roa s ASP 56 CO 0.36 -4.21 1.92 0.00 0.52 0.00 0.00 175.17 173.75 2roa h ALA 57 N 11.06 1.96 0.00 3.66 0.00 -1.85 -0.47 119.26 133.62 2roa h ALA 57 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2roa h ALA 57 Cb 0.98 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2roa h ALA 57 CO 1.08 -0.15 -1.04 -0.40 0.00 0.00 0.00 179.25 178.74 2roa n ASP 58 N -4.50 0.82 -3.00 0.00 5.75 -1.26 -4.98 116.55 109.38 2roa n ASP 58 Ca 0.14 0.32 -0.19 0.00 -0.01 0.00 0.00 54.79 55.05 2roa n ASP 58 Cb 0.45 0.50 0.06 0.00 -1.03 0.00 0.00 41.12 41.10 2roa n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roa n GLY 59 N 1.19 -0.26 0.13 6.12 0.00 -0.19 -4.91 105.19 107.26 2roa n GLY 59 Ca -0.00 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2roa n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2roa h ASN 60 N -2.18 0.00 0.00 1.61 7.08 -1.94 -3.47 115.58 116.68 2roa h ASN 60 Ca -0.46 -0.05 0.00 0.00 -3.08 0.00 0.00 56.30 52.70 2roa h ASN 60 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.54 2roa h ASN 60 CO 0.45 0.03 0.00 0.61 -2.08 0.00 0.00 177.43 176.44 2roa n GLY 61 N 1.24 0.78 3.29 9.14 0.00 -1.26 -5.07 105.19 113.30 2roa n GLY 61 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.07 0.83 -0.08 2.61 -4.23 -1.26 -3.16 115.64 108.28 2roa s THR 62 Ca 0.00 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 2roa s THR 62 Cb 0.00 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2roa s THR 62 CO 0.00 -0.35 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.90 2roa s ILE 63 N -3.56 1.67 0.52 2.99 1.01 -0.42 -4.87 121.20 118.54 2roa s ILE 63 Ca 0.27 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2roa s ILE 63 Cb 0.06 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 41.11 2roa s ILE 63 CO 0.07 0.47 0.57 -1.61 0.00 0.00 0.00 174.94 174.45 2roa s GLU 64 N 0.38 2.39 0.12 2.79 2.02 -1.26 -1.88 118.70 123.25 2roa s GLU 64 Ca -0.15 -1.70 -0.24 0.00 0.02 0.00 0.00 54.97 52.90 2roa s GLU 64 Cb -0.16 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.56 2roa s GLU 64 CO 0.06 -0.60 1.67 0.35 0.02 0.00 0.00 175.26 176.76 2roa h PHE 65 N 0.56 -0.41 -0.54 1.61 3.57 -1.98 1.09 116.94 120.84 2roa h PHE 65 Ca -0.35 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2roa h PHE 65 Cb 1.29 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 2roa h PHE 65 CO 0.61 -0.23 0.34 -0.44 -2.23 0.00 0.00 178.31 176.36 2roa h ASP 66 N -0.26 0.63 -0.38 0.41 3.32 -1.99 0.28 116.42 118.43 2roa h ASP 66 Ca 0.05 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2roa h ASP 66 Cb 0.33 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2roa h ASP 66 CO -0.16 0.49 0.14 -0.33 -1.72 0.00 0.00 179.24 177.66 2roa h GLU 67 N 0.72 0.57 -0.78 3.56 5.08 -1.83 -1.68 114.58 120.23 2roa h GLU 67 Ca 0.19 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2roa h GLU 67 Cb -0.04 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2roa h GLU 67 CO -0.04 0.56 0.48 0.35 -1.00 0.00 0.00 179.01 179.36 2roa h PHE 68 N 0.47 1.02 -0.89 4.33 3.57 0.17 -1.95 116.94 123.66 2roa h PHE 68 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2roa h PHE 68 Cb 0.20 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2roa h PHE 68 CO 0.00 0.68 0.51 1.25 -2.23 0.00 0.00 178.31 178.52 2roa h LEU 69 N 1.07 1.10 -0.35 0.59 6.46 -0.16 0.07 115.31 124.08 2roa h LEU 69 Ca 0.28 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2roa h LEU 69 Cb -0.05 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.58 2roa h LEU 69 CO -0.05 0.86 0.16 0.28 -0.62 0.00 0.00 178.44 179.07 2roa h SER 70 N 1.24 0.46 -0.72 1.25 0.02 -0.70 0.13 113.55 115.23 2roa h SER 70 Ca 0.32 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2roa h SER 70 Cb -0.01 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2roa h SER 70 CO -0.05 0.47 0.27 0.25 -1.14 0.00 0.00 176.83 176.62 2roa h LEU 71 N 0.42 1.01 0.32 5.07 5.85 -0.90 0.29 115.31 127.37 2roa h LEU 71 Ca 0.12 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2roa h LEU 71 Cb 0.13 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2roa h LEU 71 CO -0.01 0.92 -0.15 -0.03 -0.34 0.00 0.00 178.44 178.82 2roa h MET 72 N 1.04 -0.41 0.00 1.25 4.05 -0.73 -1.51 114.93 118.63 2roa h MET 72 Ca 0.24 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.66 2roa h MET 72 Cb 0.23 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2roa h MET 72 CO -0.02 -0.18 -0.11 0.00 0.23 0.00 0.00 176.91 176.83 2roa h ALA 73 N 0.06 1.29 0.00 0.39 0.00 -0.87 -1.18 119.26 118.95 2roa h ALA 73 Ca -0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2roa h ALA 73 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2roa h ALA 73 CO 0.07 0.14 -0.49 -0.22 0.00 0.00 0.00 179.25 178.75 2roa h LYS 74 N 0.00 0.00 0.14 0.00 3.64 0.07 1.62 116.57 122.03 2roa h LYS 74 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2roa h LYS 74 Cb 0.32 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2roa h LYS 74 CO 0.01 0.49 -1.60 -0.22 -2.27 0.00 0.00 179.45 175.86 2roa h LYS 75 N 0.00 0.29 -0.52 1.90 3.64 -0.22 -3.33 116.57 118.33 2roa h LYS 75 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2roa h LYS 75 Cb 0.92 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2roa h LYS 75 CO 0.06 1.17 0.00 0.28 -2.27 0.00 0.00 179.45 178.69 2roa n VAL 76 N -3.49 1.71 -0.37 2.00 0.31 -0.71 -4.58 118.33 113.19 2roa n VAL 76 Ca -0.19 -1.27 0.38 0.00 -0.01 0.00 0.00 64.34 63.25 2roa n VAL 76 Cb 1.05 0.15 0.71 0.00 -0.91 0.00 0.00 33.84 34.85 2roa n VAL 76 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2roa h LYS 77 N 3.28 0.00 0.15 5.55 3.64 0.23 0.15 116.57 129.56 2roa h LYS 77 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2roa h LYS 77 Cb 1.29 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 2roa h LYS 77 CO 0.17 0.00 -0.32 0.22 -2.27 0.00 0.00 179.45 177.25 2roa h ASP 78 N 0.00 -0.91 0.00 4.20 3.58 -1.82 -3.50 116.42 117.97 2roa h ASP 78 Ca 0.62 0.10 0.00 0.00 0.42 0.00 0.00 57.03 58.18 2roa h ASP 78 Cb 2.73 0.34 0.00 0.00 1.72 0.00 0.00 39.33 44.12 2roa h ASP 78 CO -0.01 -0.41 0.00 0.41 -2.88 0.00 0.00 179.24 176.35