#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roa s ASP 2 N 0.00 2.55 0.00 0.00 -4.77 -1.26 -4.99 116.67 108.20 2roa s ASP 2 Ca 0.00 -1.73 0.00 0.00 -3.30 0.00 0.00 52.55 47.52 2roa s ASP 2 Cb 0.00 -0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.75 2roa s ASP 2 CO 0.00 -0.33 0.00 -0.38 0.70 0.00 0.00 175.17 175.16 2roa n ILE 3 N 4.46 0.00 -0.41 2.11 5.41 -1.26 -4.74 119.36 124.93 2roa n ILE 3 Ca 0.07 0.00 0.33 0.00 1.00 0.00 0.00 62.75 64.15 2roa n ILE 3 Cb 0.41 -0.08 0.62 0.00 -0.71 0.00 0.00 39.64 39.88 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 0.00 0.29 0.00 1.39 3.38 -2.06 -3.45 115.31 114.86 2roa h LEU 4 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2roa h LEU 4 Cb 0.00 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2roa h LEU 4 CO 0.00 -0.10 0.00 -0.24 0.09 0.00 0.00 178.44 178.19 2roa n SER 5 N -4.66 1.60 0.00 -0.43 2.88 -1.26 -4.98 113.62 106.77 2roa n SER 5 Ca 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2roa n SER 5 Cb 1.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 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 0.00 -0.12 -1.46 1.02 -1.26 -4.35 120.64 114.47 2roa n GLU 6 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2roa n GLU 6 Cb 0.00 -0.37 -0.03 0.00 -0.02 0.00 0.00 31.44 31.02 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 0.00 0.60 0.09 3.49 4.81 -1.86 0.68 114.58 122.39 2roa h GLU 7 Ca 0.00 -0.20 -0.26 0.00 -0.13 0.00 0.00 59.36 58.78 2roa h GLU 7 Cb 0.00 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.33 2roa h GLU 7 CO 0.00 0.73 -1.14 1.96 -0.73 0.00 0.00 179.01 179.83 2roa h GLN 8 N 0.40 0.34 -0.11 1.92 4.20 -1.92 -2.79 115.11 117.15 2roa h GLN 8 Ca 0.09 -0.48 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 2roa h GLN 8 Cb 0.47 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2roa h GLN 8 CO 0.02 1.19 -0.15 0.82 -0.67 0.00 0.00 178.83 180.03 2roa h ILE 9 N 0.14 1.37 -0.28 2.54 1.08 -1.86 0.04 117.51 120.54 2roa h ILE 9 Ca -0.12 -1.38 0.01 0.00 -0.39 0.00 0.00 64.86 62.99 2roa h ILE 9 Cb 1.83 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 37.58 2roa h ILE 9 CO 0.19 0.40 0.16 1.62 -0.69 0.00 0.00 178.15 179.83 2roa h VAL 10 N -0.12 1.02 0.34 1.67 3.04 0.29 2.37 116.25 124.86 2roa h VAL 10 Ca 0.01 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.57 2roa h VAL 10 Cb 0.71 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2roa h VAL 10 CO 0.04 0.06 -0.17 -0.78 -1.01 0.00 0.00 177.57 175.71 2roa h ASP 11 N 0.33 -0.39 0.24 3.17 1.82 -1.52 0.53 116.42 120.60 2roa h ASP 11 Ca 0.11 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2roa h ASP 11 Cb 0.01 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2roa h ASP 11 CO -0.06 -0.15 -0.11 -0.26 -1.61 0.00 0.00 179.24 177.05 2roa h PHE 12 N -0.63 -0.30 -0.96 0.28 0.04 -0.79 0.99 116.94 115.58 2roa h PHE 12 Ca -0.05 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.89 2roa h PHE 12 Cb 0.45 0.10 -0.10 0.00 2.20 0.00 0.00 35.95 38.60 2roa h PHE 12 CO -0.01 -0.12 0.56 -0.22 -0.60 0.00 0.00 178.31 177.92 2roa h LYS 13 N -0.41 0.71 -0.45 1.51 1.63 0.40 0.39 116.57 120.36 2roa h LYS 13 Ca -0.03 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.59 2roa h LYS 13 Cb 0.31 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2roa h LYS 13 CO 0.05 0.47 -0.25 1.49 -3.45 0.00 0.00 179.45 177.77 2roa h GLU 14 N 0.74 0.96 0.01 1.90 4.57 -0.46 0.35 114.58 122.65 2roa h GLU 14 Ca 0.54 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2roa h GLU 14 Cb 0.80 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2roa h GLU 14 CO -0.37 1.10 -0.01 0.00 -1.18 0.00 0.00 179.01 178.55 2roa h ALA 15 N 0.84 -0.02 -0.07 2.92 0.00 0.19 -0.02 119.26 123.10 2roa h ALA 15 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2roa h ALA 15 Cb 0.83 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2roa h ALA 15 CO 0.07 -0.47 0.03 0.35 0.00 0.00 0.00 179.25 179.23 2roa h PHE 16 N -0.09 0.10 -0.40 0.00 3.04 -0.32 0.38 116.94 119.65 2roa h PHE 16 Ca -0.00 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.01 2roa h PHE 16 Cb 0.09 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.51 2roa h PHE 16 CO -0.05 0.19 0.05 0.78 -2.02 0.00 0.00 178.31 177.26 2roa h GLY 17 N -0.02 0.45 1.12 2.40 0.00 -0.82 0.41 103.07 106.60 2roa h GLY 17 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2roa h GLY 17 CO -0.00 -0.06 0.34 -2.00 0.00 0.00 0.00 176.54 174.82 2roa h LEU 18 N 0.17 1.04 -0.52 3.11 6.46 -0.84 -2.68 115.31 122.05 2roa h LEU 18 Ca 0.20 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2roa h LEU 18 Cb 0.25 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 2roa h LEU 18 CO -0.28 0.89 0.17 -0.26 -0.62 0.00 0.00 178.44 178.34 2roa h PHE 19 N 1.12 0.83 -0.20 1.25 -1.00 0.60 -2.94 116.94 116.60 2roa h PHE 19 Ca 0.26 -0.08 -0.34 0.00 2.81 0.00 0.00 57.97 60.62 2roa h PHE 19 Cb 0.16 -0.24 -0.07 0.00 3.61 0.00 0.00 35.95 39.41 2roa h PHE 19 CO 0.02 0.71 0.60 -3.47 -1.61 0.00 0.00 178.31 174.56 2roa n ASP 20 N -4.49 6.17 -0.40 2.17 -0.08 0.13 -4.68 116.55 115.38 2roa n ASP 20 Ca 0.02 -2.62 0.36 0.00 -1.51 0.00 0.00 54.79 51.04 2roa n ASP 20 Cb 0.19 -1.42 0.55 0.00 2.34 0.00 0.00 41.12 42.79 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 2.44 0.01 0.11 -0.67 0.00 -1.11 0.30 118.16 119.23 2roa n LYS 21 Ca 0.51 0.98 0.02 0.00 0.00 0.00 0.00 58.31 59.82 2roa n LYS 21 Cb 0.72 -2.36 -0.01 0.00 0.00 0.00 0.00 35.03 33.39 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 -0.08 3.14 2.03 -1.88 -3.48 116.42 116.15 2roa h ASP 22 Ca 0.64 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.90 2roa h ASP 22 Cb 3.08 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 41.56 2roa h ASP 22 CO -0.01 0.48 -0.03 0.61 -1.03 0.00 0.00 179.24 179.27 2roa n GLY 23 N 1.27 0.53 0.00 7.15 0.00 0.89 -4.88 105.19 110.15 2roa n GLY 23 Ca -0.02 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 0.89 0.00 0.00 1.61 5.75 -1.26 -4.80 116.55 118.73 2roa n ASP 24 Ca -0.02 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 2roa n ASP 24 Cb 0.08 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 -0.40 2.88 3.01 6.12 0.00 -1.26 -4.97 105.19 110.56 2roa n GLY 25 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 0.80 4.95 0.72 0.00 1.01 -0.44 -4.91 121.20 123.32 2roa s ILE 27 Ca -0.12 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2roa s ILE 27 Cb -0.15 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.26 2roa s ILE 27 CO 0.02 -0.40 1.08 -0.89 0.00 0.00 0.00 174.94 174.75 2roa s THR 28 N 2.52 3.66 0.36 2.92 2.01 -1.26 -1.01 115.64 124.83 2roa s THR 28 Ca 0.19 0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.80 2roa s THR 28 Cb -0.15 -3.40 0.31 0.00 0.01 0.00 0.00 72.50 69.26 2roa s THR 28 CO 0.16 -0.70 1.91 -0.37 -0.69 0.00 0.00 174.62 174.92 2roa h VAL 29 N -0.75 0.93 -0.53 3.82 -1.51 -1.95 0.16 116.25 116.42 2roa h VAL 29 Ca -0.45 -0.25 -0.07 0.00 -1.23 0.00 0.00 66.70 64.69 2roa h VAL 29 Cb 1.24 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 2roa h VAL 29 CO 0.61 0.13 0.04 -0.33 -1.23 0.00 0.00 177.57 176.79 2roa h GLU 30 N 0.73 0.91 -0.47 5.19 4.39 -1.92 -0.31 114.58 123.11 2roa h GLU 30 Ca 0.39 -0.27 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2roa h GLU 30 Cb 0.50 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2roa h GLU 30 CO -0.16 0.91 -0.09 0.93 -1.16 0.00 0.00 179.01 179.44 2roa h GLU 31 N 0.78 0.84 -0.45 2.33 5.08 -1.46 -2.10 114.58 119.61 2roa h GLU 31 Ca 0.16 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2roa h GLU 31 Cb 0.47 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2roa h GLU 31 CO 0.02 0.90 0.13 1.25 -1.00 0.00 0.00 179.01 180.31 2roa h LEU 32 N 0.76 0.66 -0.88 1.33 5.85 -0.48 -1.60 115.31 120.96 2roa h LEU 32 Ca 0.13 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.73 2roa h LEU 32 Cb 0.59 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2roa h LEU 32 CO 0.04 0.70 0.52 0.00 -0.34 0.00 0.00 178.44 179.36 2roa h ALA 33 N 0.99 1.26 -0.65 1.25 0.00 -0.69 0.42 119.26 121.83 2roa h ALA 33 Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2roa h ALA 33 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2roa h ALA 33 CO -0.00 0.15 0.24 1.15 0.00 0.00 0.00 179.25 180.79 2roa h THR 34 N 0.87 1.24 -0.10 0.00 2.02 -0.93 0.64 112.91 116.64 2roa h THR 34 Ca 0.42 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2roa h THR 34 Cb 0.37 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2roa h THR 34 CO -0.24 0.31 0.01 0.58 0.37 0.00 0.00 175.52 176.54 2roa h VAL 35 N 0.93 1.23 -0.43 3.16 2.07 -0.00 -1.55 116.25 121.65 2roa h VAL 35 Ca 0.22 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2roa h VAL 35 Cb 0.23 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2roa h VAL 35 CO -0.01 0.21 0.10 0.40 0.02 0.00 0.00 177.57 178.28 2roa h ILE 36 N -0.08 1.19 -0.71 4.57 2.04 -0.11 -1.74 117.51 122.67 2roa h ILE 36 Ca 0.03 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2roa h ILE 36 Cb 0.31 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2roa h ILE 36 CO 0.00 0.25 0.45 -0.09 0.00 0.00 0.00 178.15 178.77 2roa h ARG 37 N 0.62 0.95 -0.24 2.37 2.43 0.58 -2.26 114.38 118.83 2roa h ARG 37 Ca 0.14 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 2roa h ARG 37 Cb 0.25 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2roa h ARG 37 CO -0.00 0.65 -0.36 1.03 -1.51 0.00 0.00 179.97 179.78 2roa h SER 38 N 0.96 0.56 -0.59 -3.80 0.87 -0.74 -3.20 113.55 107.61 2roa h SER 38 Ca 0.26 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2roa h SER 38 Cb -0.07 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 2roa h SER 38 CO -0.05 0.87 0.37 -0.07 -0.53 0.00 0.00 176.83 177.42 2roa h LEU 39 N 0.45 0.70 0.00 2.23 3.38 -0.79 -3.46 115.31 117.83 2roa h LEU 39 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2roa h LEU 39 Cb 0.84 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2roa h LEU 39 CO 0.07 0.54 0.00 0.47 0.09 0.00 0.00 178.44 179.61 2roa n ASP 40 N -4.64 0.00 -4.12 -0.43 8.00 -1.03 -5.11 116.55 109.21 2roa n ASP 40 Ca 0.04 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 2roa n ASP 40 Cb 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 2roa n ASP 40 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2roa s GLN 41 N 0.00 0.71 -0.44 -1.24 -1.52 -0.92 -5.05 119.66 111.20 2roa s GLN 41 Ca 0.00 -1.15 0.07 0.00 -1.95 0.00 0.00 55.36 52.33 2roa s GLN 41 Cb 0.00 -0.16 0.23 0.00 -0.22 0.00 0.00 33.01 32.86 2roa s GLN 41 CO 0.00 -0.01 0.66 -1.71 -0.25 0.00 0.00 175.29 173.97 2roa n ASN 42 N 0.42 -1.32 -4.73 5.90 5.15 -1.26 -2.66 115.26 116.76 2roa n ASN 42 Ca -0.16 -2.91 -0.33 0.00 -0.60 0.00 0.00 54.58 50.59 2roa n ASN 42 Cb 0.59 0.48 0.10 0.00 -0.53 0.00 0.00 39.78 40.41 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2roa s PRO 43 N -0.21 2.06 0.45 1.20 0.02 -1.26 -5.02 135.00 132.25 2roa s PRO 43 Ca 0.33 1.52 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 2roa s PRO 43 Cb 0.17 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.78 2roa s PRO 43 CO -0.17 -1.84 0.83 0.95 -0.33 0.00 0.00 177.00 176.44 2roa s THR 44 N -2.38 4.76 0.30 0.99 -4.23 -1.26 -4.75 115.64 109.08 2roa s THR 44 Ca 0.69 0.67 -0.00 0.00 -1.18 0.00 0.00 61.69 61.86 2roa s THR 44 Cb -0.24 -3.76 0.43 0.00 1.34 0.00 0.00 72.50 70.27 2roa s THR 44 CO 0.49 -0.65 1.57 -0.33 -0.54 0.00 0.00 174.62 175.15 2roa h GLU 45 N 0.91 0.00 -0.59 3.99 3.07 -1.97 1.06 114.58 121.04 2roa h GLU 45 Ca -0.47 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.51 2roa h GLU 45 Cb 1.19 -0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.98 2roa h GLU 45 CO 0.63 0.00 -0.24 1.49 -1.40 0.00 0.00 179.01 179.49 2roa h GLU 46 N 0.00 -0.08 -0.31 2.33 4.57 -1.99 1.73 114.58 120.83 2roa h GLU 46 Ca 0.58 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.62 2roa h GLU 46 Cb 1.12 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2roa h GLU 46 CO -0.96 -0.06 -0.36 1.49 -1.18 0.00 0.00 179.01 177.94 2roa h GLU 47 N -0.09 0.79 -0.87 1.92 4.81 0.64 -2.00 114.58 119.79 2roa h GLU 47 Ca 0.27 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2roa h GLU 47 Cb 0.51 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2roa h GLU 47 CO -0.65 1.07 0.51 1.25 -0.73 0.00 0.00 179.01 180.46 2roa h LEU 48 N 0.56 1.05 0.05 1.64 5.85 0.96 0.98 115.31 126.40 2roa h LEU 48 Ca 0.04 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2roa h LEU 48 Cb 0.95 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2roa h LEU 48 CO 0.09 0.82 -0.02 1.56 -0.34 0.00 0.00 178.44 180.54 2roa h GLN 49 N 1.20 -0.06 -0.72 1.25 1.08 0.27 1.42 115.11 119.55 2roa h GLN 49 Ca 0.31 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.52 2roa h GLN 49 Cb -0.03 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2roa h GLN 49 CO -0.06 0.04 0.48 0.22 -0.95 0.00 0.00 178.83 178.56 2roa h ASP 50 N -0.14 0.82 -0.03 1.46 3.58 -0.97 2.21 116.42 123.35 2roa h ASP 50 Ca -0.01 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 2roa h ASP 50 Cb 0.12 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2roa h ASP 50 CO 0.01 0.60 -0.22 -0.03 -2.88 0.00 0.00 179.24 176.72 2roa h MET 51 N 0.97 0.20 -0.40 0.28 4.05 -0.39 -0.96 114.93 118.68 2roa h MET 51 Ca 0.26 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2roa h MET 51 Cb -0.11 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2roa h MET 51 CO -0.06 0.85 0.11 0.82 0.23 0.00 0.00 176.91 178.87 2roa h ILE 52 N -0.39 1.22 -0.65 1.77 2.04 0.24 -2.65 117.51 119.10 2roa h ILE 52 Ca -0.02 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.13 2roa h ILE 52 Cb 0.90 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2roa h ILE 52 CO 0.04 0.26 0.39 0.77 0.00 0.00 0.00 178.15 179.61 2roa h SER 53 N 0.50 0.62 -0.86 1.72 4.64 0.36 2.04 113.55 122.57 2roa h SER 53 Ca 0.13 0.01 0.25 0.00 -0.47 0.00 0.00 61.79 61.71 2roa h SER 53 Cb 0.28 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 2roa h SER 53 CO -0.00 0.42 0.68 -0.08 -0.87 0.00 0.00 176.83 176.98 2roa h GLU 54 N 0.75 0.00 0.00 4.77 4.57 -0.80 -2.30 114.58 121.57 2roa h GLU 54 Ca 0.27 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.27 2roa h GLU 54 Cb 0.07 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2roa h GLU 54 CO -0.13 0.00 -1.69 1.55 -1.18 0.00 0.00 179.01 177.56 2roa n VAL 55 N -4.06 0.69 -1.63 0.32 3.14 -0.18 -4.81 118.33 111.80 2roa n VAL 55 Ca 0.18 -0.42 -0.23 0.00 -2.96 0.00 0.00 64.34 60.91 2roa n VAL 55 Cb 0.98 -0.75 -0.10 0.00 -1.06 0.00 0.00 33.84 32.92 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 -2.40 1.97 -0.10 6.55 -0.08 0.67 -4.62 116.55 118.55 2roa n ASP 56 Ca -0.17 -2.57 -0.00 0.00 -1.51 0.00 0.00 54.79 50.54 2roa n ASP 56 Cb 0.82 -1.59 0.27 0.00 2.34 0.00 0.00 41.12 42.96 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 10.64 1.40 0.00 -1.67 0.00 -1.86 -2.65 119.26 125.11 2roa h ALA 57 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2roa h ALA 57 Cb 0.93 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2roa h ALA 57 CO 1.23 0.46 -1.08 -0.40 0.00 0.00 0.00 179.25 179.45 2roa n ASP 58 N -4.35 0.82 -2.69 0.00 5.68 -1.26 -5.02 116.55 109.73 2roa n ASP 58 Ca 0.04 0.32 -0.00 0.00 -0.50 0.00 0.00 54.79 54.65 2roa n ASP 58 Cb 0.15 0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 2roa n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2roa n GLY 59 N 1.21 -1.02 0.00 6.12 0.00 -1.00 -4.98 105.19 105.52 2roa n GLY 59 Ca -0.01 0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.37 2roa n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2roa n ASN 60 N -1.58 0.98 0.00 1.61 5.03 -1.26 -4.98 115.26 115.05 2roa n ASN 60 Ca 0.00 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 54.88 2roa n ASN 60 Cb 0.50 1.12 0.00 0.00 -1.02 0.00 0.00 39.78 40.38 2roa n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2roa n GLY 61 N 1.40 0.62 3.30 7.41 0.00 -1.26 -5.04 105.19 111.62 2roa n GLY 61 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.48 0.08 -0.11 2.61 -4.23 -1.26 -3.98 115.64 106.28 2roa s THR 62 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2roa s THR 62 Cb 0.00 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.36 2roa s THR 62 CO 0.00 0.00 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.24 2roa s ILE 63 N -3.56 1.90 0.48 2.99 1.01 -0.18 -4.90 121.20 118.93 2roa s ILE 63 Ca 0.38 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 60.19 2roa s ILE 63 Cb 0.03 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.87 2roa s ILE 63 CO 0.23 0.52 0.66 -1.61 0.00 0.00 0.00 174.94 174.74 2roa s GLU 64 N 0.55 2.64 0.12 2.79 2.02 -1.26 -1.33 118.70 124.23 2roa s GLU 64 Ca -0.15 -1.22 -0.23 0.00 0.02 0.00 0.00 54.97 53.40 2roa s GLU 64 Cb -0.17 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.33 2roa s GLU 64 CO 0.05 -0.50 1.68 0.35 0.02 0.00 0.00 175.26 176.86 2roa h PHE 65 N 0.41 -0.32 -0.60 1.61 3.57 -1.99 0.46 116.94 120.08 2roa h PHE 65 Ca -0.39 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 2roa h PHE 65 Cb 1.28 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 2roa h PHE 65 CO 0.37 -0.19 0.34 0.22 -2.23 0.00 0.00 178.31 176.83 2roa h ASP 66 N -0.19 0.74 -0.41 0.41 3.58 -1.96 0.36 116.42 118.96 2roa h ASP 66 Ca 0.06 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.45 2roa h ASP 66 Cb 0.28 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2roa h ASP 66 CO -0.17 0.61 0.24 -0.33 -2.88 0.00 0.00 179.24 176.72 2roa h GLU 67 N 0.82 0.48 0.00 0.28 5.08 -1.80 -0.60 114.58 118.83 2roa h GLU 67 Ca 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2roa h GLU 67 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2roa h GLU 67 CO -0.04 0.32 -0.27 0.35 -1.00 0.00 0.00 179.01 178.37 2roa h PHE 68 N 0.49 0.00 -0.44 4.33 3.57 0.38 -2.42 116.94 122.85 2roa h PHE 68 Ca 0.16 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2roa h PHE 68 Cb 0.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2roa h PHE 68 CO -0.07 0.27 0.03 1.25 -2.23 0.00 0.00 178.31 177.56 2roa h LEU 69 N 0.00 0.75 -0.48 0.59 7.12 0.12 -1.78 115.31 121.62 2roa h LEU 69 Ca -0.00 -0.29 -0.08 0.00 0.13 0.00 0.00 57.88 57.63 2roa h LEU 69 Cb 0.63 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 2roa h LEU 69 CO 0.04 0.85 -0.03 -1.28 -0.13 0.00 0.00 178.44 177.89 2roa h SER 70 N 0.62 0.86 -0.88 1.25 0.87 -1.02 -2.05 113.55 113.20 2roa h SER 70 Ca 0.13 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.41 2roa h SER 70 Cb 0.45 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 2roa h SER 70 CO 0.02 0.98 0.56 0.25 -0.53 0.00 0.00 176.83 178.11 2roa h LEU 71 N 0.73 0.93 0.12 2.23 5.85 -1.26 2.13 115.31 126.04 2roa h LEU 71 Ca 0.13 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2roa h LEU 71 Cb 0.55 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2roa h LEU 71 CO 0.03 0.63 -0.06 0.24 -0.34 0.00 0.00 178.44 178.94 2roa h MET 72 N 1.08 -0.15 -0.20 1.25 2.86 -1.16 -1.25 114.93 117.37 2roa h MET 72 Ca 0.36 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.91 2roa h MET 72 Cb 0.04 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2roa h MET 72 CO -0.13 0.14 -0.31 0.00 1.06 0.00 0.00 176.91 177.68 2roa h ALA 73 N 0.39 1.11 -0.06 6.32 0.00 -1.02 -1.60 119.26 124.40 2roa h ALA 73 Ca -0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2roa h ALA 73 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2roa h ALA 73 CO 0.03 0.56 -0.22 -0.22 0.00 0.00 0.00 179.25 179.40 2roa h LYS 74 N 0.34 0.10 0.22 0.00 3.64 0.36 2.77 116.57 123.99 2roa h LYS 74 Ca 0.04 -0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.09 2roa h LYS 74 Cb 0.72 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2roa h LYS 74 CO 0.05 0.32 -1.42 -0.22 -2.27 0.00 0.00 179.45 175.91 2roa h LYS 75 N 0.09 0.46 -0.55 1.90 3.64 -0.86 -3.33 116.57 117.92 2roa h LYS 75 Ca 0.02 -0.78 -0.28 0.00 -1.27 0.00 0.00 60.65 58.34 2roa h LYS 75 Cb 0.44 0.29 -0.16 0.00 -0.41 0.00 0.00 32.23 32.39 2roa h LYS 75 CO 0.03 1.37 0.15 0.28 -2.27 0.00 0.00 179.45 179.01 2roa n VAL 76 N -3.78 2.75 -0.23 2.00 0.31 -0.63 -4.67 118.33 114.07 2roa n VAL 76 Ca -0.19 -2.46 0.17 0.00 -0.01 0.00 0.00 64.34 61.85 2roa n VAL 76 Cb 1.04 -0.36 0.48 0.00 -0.91 0.00 0.00 33.84 34.08 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 1.07 0.46 -0.24 5.55 3.64 0.48 -1.26 116.57 126.28 2roa h LYS 77 Ca 0.34 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.75 2roa h LYS 77 Cb 2.03 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.68 2roa h LYS 77 CO 0.61 0.31 -0.19 0.38 -2.27 0.00 0.00 179.45 178.29 2roa h ASP 78 N 0.48 -0.61 0.00 4.20 2.03 -1.83 -3.50 116.42 117.19 2roa h ASP 78 Ca 0.45 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 2roa h ASP 78 Cb 0.99 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2roa h ASP 78 CO -0.18 -0.23 0.00 1.07 -1.03 0.00 0.00 179.24 178.88