#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 2.66 -3.99 0.00 2.03 -1.26 -4.84 116.55 111.15 2roa n ASP 2 Ca 0.00 -1.92 -0.23 0.00 0.52 0.00 0.00 54.79 53.16 2roa n ASP 2 Cb 0.00 -0.26 -0.16 0.00 -0.72 0.00 0.00 41.12 39.97 2roa n ASP 2 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2roa s ILE 3 N -1.48 0.94 -0.30 5.18 2.07 -1.26 -5.01 121.20 121.35 2roa s ILE 3 Ca 0.35 -0.37 0.25 0.00 -1.41 0.00 0.00 60.65 59.47 2roa s ILE 3 Cb 0.19 -0.88 0.34 0.00 0.13 0.00 0.00 42.46 42.24 2roa s ILE 3 CO 0.26 0.31 1.69 -0.07 -1.91 0.00 0.00 174.94 175.23 2roa h LEU 4 N 6.97 0.00 0.00 8.50 3.38 -2.02 -3.15 115.31 128.98 2roa h LEU 4 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2roa h LEU 4 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2roa h LEU 4 CO 0.48 0.02 0.02 -1.20 0.09 0.00 0.00 178.44 177.85 2roa n SER 5 N -3.11 0.00 -2.69 -0.43 7.64 -1.26 -1.66 113.62 112.12 2roa n SER 5 Ca 0.03 0.32 -0.07 0.00 1.01 0.00 0.00 58.87 60.16 2roa n SER 5 Cb 0.48 -0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.40 2roa n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2roa n GLU 6 N -1.31 1.69 -0.04 1.43 1.02 -1.19 -4.87 120.64 117.37 2roa n GLU 6 Ca 0.00 -3.50 -0.03 0.00 -0.02 0.00 0.00 57.16 53.61 2roa n GLU 6 Cb 0.02 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 2roa n GLU 6 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2roa n GLU 7 N -0.36 0.26 0.12 3.49 4.07 -0.66 -3.70 120.64 123.86 2roa n GLU 7 Ca 0.12 0.30 0.03 0.00 -0.06 0.00 0.00 57.16 57.54 2roa n GLU 7 Cb 0.81 -1.17 0.40 0.00 -0.06 0.00 0.00 31.44 31.42 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2roa h GLN 8 N -0.54 0.23 -0.47 5.31 3.07 -1.92 -2.16 115.11 118.63 2roa h GLN 8 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.65 2roa h GLN 8 Cb 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 2roa h GLN 8 CO 0.00 0.37 0.14 0.82 0.09 0.00 0.00 178.83 180.25 2roa h ILE 9 N 0.22 1.23 -0.40 1.86 1.08 -1.90 0.82 117.51 120.42 2roa h ILE 9 Ca 0.04 -0.76 -0.03 0.00 -0.39 0.00 0.00 64.86 63.73 2roa h ILE 9 Cb 0.37 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 2roa h ILE 9 CO 0.02 0.27 0.13 0.58 -0.69 0.00 0.00 178.15 178.47 2roa h VAL 10 N 0.62 1.21 -0.52 1.67 2.07 -1.54 0.34 116.25 120.10 2roa h VAL 10 Ca 0.15 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2roa h VAL 10 Cb 0.27 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2roa h VAL 10 CO -0.00 0.24 0.32 -0.78 0.02 0.00 0.00 177.57 177.37 2roa h ASP 11 N 0.50 0.62 -0.01 0.57 3.58 -1.18 0.75 116.42 121.25 2roa h ASP 11 Ca 0.13 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2roa h ASP 11 Cb 0.24 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2roa h ASP 11 CO -0.01 0.48 0.00 -0.26 -2.88 0.00 0.00 179.24 176.58 2roa h PHE 12 N 0.70 0.02 -0.30 0.28 -1.00 -0.55 -1.16 116.94 114.92 2roa h PHE 12 Ca 0.19 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.91 2roa h PHE 12 Cb -0.03 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 2roa h PHE 12 CO -0.03 0.23 -0.03 -0.22 -1.61 0.00 0.00 178.31 176.65 2roa h LYS 13 N -0.20 0.47 -0.53 1.51 3.11 -0.11 -1.76 116.57 119.06 2roa h LYS 13 Ca 0.00 -0.10 -0.08 0.00 -2.81 0.00 0.00 60.65 57.66 2roa h LYS 13 Cb 0.22 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 2roa h LYS 13 CO -0.00 0.53 0.01 1.49 -2.81 0.00 0.00 179.45 178.67 2roa h GLU 14 N 0.45 0.90 -0.53 1.90 4.81 0.77 0.17 114.58 123.06 2roa h GLU 14 Ca 0.10 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 2roa h GLU 14 Cb 0.35 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2roa h GLU 14 CO 0.01 0.89 -0.08 0.00 -0.73 0.00 0.00 179.01 179.10 2roa h ALA 15 N 1.17 0.86 -0.05 2.92 0.00 -0.59 -1.26 119.26 122.31 2roa h ALA 15 Ca 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2roa h ALA 15 Cb 0.48 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2roa h ALA 15 CO 0.02 0.65 -0.06 0.35 0.00 0.00 0.00 179.25 180.22 2roa h PHE 16 N 0.87 0.16 -0.47 0.00 3.57 -0.87 -1.33 116.94 118.87 2roa h PHE 16 Ca 0.14 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2roa h PHE 16 Cb 0.62 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 2roa h PHE 16 CO 0.04 0.59 0.23 0.78 -2.23 0.00 0.00 178.31 177.72 2roa h GLY 17 N -0.32 0.65 1.33 2.40 0.00 -0.63 0.70 103.07 107.20 2roa h GLY 17 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2roa h GLY 17 CO 0.01 0.10 0.20 1.41 0.00 0.00 0.00 176.54 178.27 2roa h LEU 18 N 0.46 0.79 -0.35 3.11 4.07 -1.26 -2.61 115.31 119.51 2roa h LEU 18 Ca 0.20 -0.11 -0.17 0.00 0.08 0.00 0.00 57.88 57.88 2roa h LEU 18 Cb 0.12 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 2roa h LEU 18 CO -0.15 0.73 -0.44 -0.26 -1.08 0.00 0.00 178.44 177.24 2roa h PHE 19 N 0.84 1.12 0.00 1.13 -1.00 0.01 -3.19 116.94 115.85 2roa h PHE 19 Ca 0.19 -0.36 -0.21 0.00 2.81 0.00 0.00 57.97 60.41 2roa h PHE 19 Cb 0.21 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.49 2roa h PHE 19 CO 0.01 1.19 0.02 -3.47 -1.61 0.00 0.00 178.31 174.45 2roa n ASP 20 N -4.05 4.98 -0.57 2.17 2.03 0.23 -4.66 116.55 116.69 2roa n ASP 20 Ca -0.03 -2.39 0.44 0.00 0.52 0.00 0.00 54.79 53.32 2roa n ASP 20 Cb 0.57 -1.29 0.68 0.00 -0.72 0.00 0.00 41.12 40.36 2roa n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2roa n LYS 21 N 2.65 -0.01 0.13 -0.67 4.76 -1.21 0.30 118.16 124.12 2roa n LYS 21 Ca 0.41 0.96 -0.00 0.00 -2.87 0.00 0.00 58.31 56.81 2roa n LYS 21 Cb 0.78 -2.14 0.13 0.00 -1.84 0.00 0.00 35.03 31.95 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2roa h ASP 22 N 0.00 0.00 0.00 4.39 3.32 -1.89 -3.47 116.42 118.77 2roa h ASP 22 Ca 0.80 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.85 2roa h ASP 22 Cb 3.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.64 2roa h ASP 22 CO -0.09 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 2roa n GLY 23 N 0.65 0.59 0.00 2.75 0.00 0.87 -4.88 105.19 105.18 2roa n GLY 23 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.04 0.00 0.00 1.61 5.75 -1.26 -4.82 116.55 117.79 2roa n ASP 24 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 2roa n ASP 24 Cb 0.02 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 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 -0.25 1.41 3.00 6.12 0.00 -1.26 -5.02 105.19 109.20 2roa n GLY 25 Ca 0.04 0.00 -0.23 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 0.54 5.23 0.64 0.00 1.01 -0.81 -4.93 121.20 122.89 2roa s ILE 27 Ca -0.10 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 2roa s ILE 27 Cb -0.13 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2roa s ILE 27 CO 0.02 -0.07 1.00 0.42 0.00 0.00 0.00 174.94 176.31 2roa s THR 28 N 1.86 3.81 0.29 2.92 -4.23 -1.26 -0.27 115.64 118.75 2roa s THR 28 Ca 0.09 0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.93 2roa s THR 28 Cb -0.17 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.39 2roa s THR 28 CO 0.11 -0.66 1.92 -0.37 -0.54 0.00 0.00 174.62 175.08 2roa h VAL 29 N -0.38 1.12 -0.80 2.29 -1.51 -1.95 0.25 116.25 115.26 2roa h VAL 29 Ca -0.45 -0.38 -0.03 0.00 -1.23 0.00 0.00 66.70 64.60 2roa h VAL 29 Cb 1.24 -0.09 -0.04 0.00 -2.13 0.00 0.00 31.29 30.27 2roa h VAL 29 CO 0.62 0.20 0.37 -0.33 -1.23 0.00 0.00 177.57 177.21 2roa h GLU 30 N 1.12 1.16 -0.19 5.19 4.39 -1.93 0.29 114.58 124.62 2roa h GLU 30 Ca 0.38 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 2roa h GLU 30 Cb 0.09 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2roa h GLU 30 CO -0.13 0.91 -0.57 1.49 -1.16 0.00 0.00 179.01 179.55 2roa h GLU 31 N 1.14 0.60 -0.45 2.33 4.81 -1.63 -2.39 114.58 118.98 2roa h GLU 31 Ca 0.27 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2roa h GLU 31 Cb 0.14 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2roa h GLU 31 CO -0.03 1.00 0.24 1.25 -0.73 0.00 0.00 179.01 180.74 2roa h LEU 32 N 0.45 0.56 -0.98 1.64 7.12 -0.05 -1.02 115.31 123.03 2roa h LEU 32 Ca 0.00 -0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.01 2roa h LEU 32 Cb 1.13 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 41.04 2roa h LEU 32 CO 0.11 0.49 0.62 0.00 -0.13 0.00 0.00 178.44 179.54 2roa h ALA 33 N 1.09 1.42 -0.60 1.25 0.00 -0.80 0.49 119.26 122.11 2roa h ALA 33 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2roa h ALA 33 Cb 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2roa h ALA 33 CO -0.02 0.32 0.33 1.15 0.00 0.00 0.00 179.25 181.02 2roa h THR 34 N 1.07 1.19 -0.06 0.00 2.02 -0.79 1.48 112.91 117.82 2roa h THR 34 Ca 0.45 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2roa h THR 34 Cb 0.31 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2roa h THR 34 CO -0.22 0.21 -0.01 0.58 0.37 0.00 0.00 175.52 176.45 2roa h VAL 35 N 0.81 1.29 -0.54 3.16 2.07 0.21 -2.09 116.25 121.15 2roa h VAL 35 Ca 0.21 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2roa h VAL 35 Cb 0.05 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2roa h VAL 35 CO -0.03 0.25 0.14 0.40 0.02 0.00 0.00 177.57 178.34 2roa h ILE 36 N -0.22 1.22 -0.98 4.57 1.08 0.08 -1.97 117.51 121.30 2roa h ILE 36 Ca 0.02 -0.79 0.07 0.00 -0.39 0.00 0.00 64.86 63.76 2roa h ILE 36 Cb 0.40 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 2roa h ILE 36 CO 0.01 0.30 0.63 -0.09 -0.69 0.00 0.00 178.15 178.30 2roa h ARG 37 N 0.80 1.09 -0.37 2.37 2.43 0.23 -0.89 114.38 120.04 2roa h ARG 37 Ca 0.18 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2roa h ARG 37 Cb 0.28 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2roa h ARG 37 CO -0.00 0.72 -0.14 0.66 -1.51 0.00 0.00 179.97 179.70 2roa h SER 38 N 1.13 0.66 0.00 -3.80 4.64 -0.66 -2.97 113.55 112.55 2roa h SER 38 Ca 0.43 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2roa h SER 38 Cb 0.19 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2roa h SER 38 CO -0.18 0.82 0.00 0.18 -0.87 0.00 0.00 176.83 176.78 2roa n LEU 39 N -4.16 1.18 -1.55 5.97 4.77 -0.35 -4.71 117.00 118.15 2roa n LEU 39 Ca 0.01 -0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 55.19 2roa n LEU 39 Cb 0.36 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2roa n LEU 39 CO 0.42 0.21 -0.19 -0.90 -1.33 0.00 0.00 177.39 175.60 2roa n ASP 40 N 0.55 -5.48 -4.02 -1.43 5.68 -1.12 -4.96 116.55 105.78 2roa n ASP 40 Ca 0.00 0.50 -0.10 0.00 -0.50 0.00 0.00 54.79 54.69 2roa n ASP 40 Cb 0.21 -4.76 -0.11 0.00 -1.14 0.00 0.00 41.12 35.33 2roa n ASP 40 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2roa s GLN 41 N -3.71 0.40 -0.45 0.11 0.74 -1.14 -5.07 119.66 110.54 2roa s GLN 41 Ca 0.00 -0.70 0.06 0.00 0.05 0.00 0.00 55.36 54.77 2roa s GLN 41 Cb 0.00 -0.02 0.18 0.00 1.10 0.00 0.00 33.01 34.27 2roa s GLN 41 CO 0.00 -0.02 0.59 1.21 -0.55 0.00 0.00 175.29 176.52 2roa s ASN 42 N -1.60 -0.57 1.23 6.67 2.47 -1.26 -2.69 114.94 119.19 2roa s ASN 42 Ca -0.12 -1.73 -0.14 0.00 0.42 0.00 0.00 52.86 51.29 2roa s ASN 42 Cb -0.09 1.31 0.31 0.00 -1.45 0.00 0.00 41.25 41.33 2roa s ASN 42 CO -0.01 -0.13 0.97 -2.65 -3.72 0.00 0.00 177.10 171.55 2roa n PRO 43 N 3.46 -2.88 -2.19 0.43 -0.02 -1.26 -5.01 135.00 127.52 2roa n PRO 43 Ca 0.17 -0.82 -0.27 0.00 -2.02 0.00 0.00 63.50 60.57 2roa n PRO 43 Cb 0.53 -2.12 0.06 0.00 -0.02 0.00 0.00 33.50 31.96 2roa n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2roa s THR 44 N -2.35 2.59 0.21 3.45 2.01 -1.26 -4.82 115.64 115.48 2roa s THR 44 Ca 0.68 -0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.46 2roa s THR 44 Cb -0.24 -3.12 0.16 0.00 0.01 0.00 0.00 72.50 69.31 2roa s THR 44 CO 0.65 -0.13 1.73 -0.33 -0.69 0.00 0.00 174.62 175.86 2roa h GLU 45 N -0.57 0.38 -0.63 4.92 5.08 -1.98 0.66 114.58 122.44 2roa h GLU 45 Ca -0.45 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2roa h GLU 45 Cb 1.30 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2roa h GLU 45 CO 0.61 0.25 0.34 1.05 -1.00 0.00 0.00 179.01 180.26 2roa h GLU 46 N 0.39 0.62 -0.44 2.33 4.11 -1.98 0.42 114.58 120.02 2roa h GLU 46 Ca 0.33 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.67 2roa h GLU 46 Cb 0.44 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2roa h GLU 46 CO -0.34 0.41 0.09 0.93 0.07 0.00 0.00 179.01 180.17 2roa h GLU 47 N 0.64 0.71 -0.47 1.06 5.08 -1.55 0.53 114.58 120.58 2roa h GLU 47 Ca 0.28 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2roa h GLU 47 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2roa h GLU 47 CO -0.18 0.72 0.27 -0.07 -1.00 0.00 0.00 179.01 178.75 2roa h LEU 48 N 0.57 0.59 -0.12 1.33 4.07 -0.20 0.53 115.31 122.09 2roa h LEU 48 Ca 0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 2roa h LEU 48 Cb 0.34 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 2roa h LEU 48 CO 0.00 0.50 -0.04 -0.61 -1.08 0.00 0.00 178.44 177.21 2roa h GLN 49 N 0.63 0.23 -0.89 1.13 5.75 0.05 0.27 115.11 122.27 2roa h GLN 49 Ca 0.17 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 2roa h GLN 49 Cb 0.03 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 2roa h GLN 49 CO -0.03 0.55 0.50 -0.44 -2.65 0.00 0.00 178.83 176.76 2roa h ASP 50 N -0.10 1.11 -0.14 -0.69 3.32 0.26 1.57 116.42 121.75 2roa h ASP 50 Ca 0.03 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 2roa h ASP 50 Cb 0.47 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2roa h ASP 50 CO 0.01 0.88 -0.14 -0.03 -1.72 0.00 0.00 179.24 178.25 2roa h MET 51 N 1.25 0.34 -0.38 3.56 4.05 0.14 0.42 114.93 124.30 2roa h MET 51 Ca 0.32 -0.18 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2roa h MET 51 Cb 0.01 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2roa h MET 51 CO -0.05 0.73 0.06 0.82 0.23 0.00 0.00 176.91 178.70 2roa h ILE 52 N -0.04 1.24 -0.55 1.77 2.04 -0.14 -2.62 117.51 119.21 2roa h ILE 52 Ca 0.02 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2roa h ILE 52 Cb 0.67 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2roa h ILE 52 CO 0.03 0.29 0.26 0.77 0.00 0.00 0.00 178.15 179.51 2roa h SER 53 N 0.48 0.69 -0.46 1.72 4.64 0.23 1.64 113.55 122.49 2roa h SER 53 Ca 0.12 -0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.46 2roa h SER 53 Cb 0.37 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2roa h SER 53 CO 0.01 0.59 0.32 -0.08 -0.87 0.00 0.00 176.83 176.79 2roa h GLU 54 N 0.77 0.22 0.00 4.77 4.81 -0.52 -3.02 114.58 121.62 2roa h GLU 54 Ca 0.19 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 2roa h GLU 54 Cb 0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2roa h GLU 54 CO -0.03 0.15 -1.67 0.28 -0.73 0.00 0.00 179.01 177.01 2roa n VAL 55 N -4.46 0.50 -2.23 0.32 0.31 -0.64 -4.82 118.33 107.31 2roa n VAL 55 Ca 0.07 -0.39 -0.32 0.00 -0.01 0.00 0.00 64.34 63.69 2roa n VAL 55 Cb 0.37 -0.41 -0.04 0.00 -0.91 0.00 0.00 33.84 32.85 2roa n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2roa s ASP 56 N -4.00 5.62 0.61 4.52 -1.08 0.55 -4.72 116.67 118.18 2roa s ASP 56 Ca -0.05 -1.36 0.35 0.00 -0.52 0.00 0.00 52.55 50.97 2roa s ASP 56 Cb 0.05 -2.57 1.97 0.00 -1.46 0.00 0.00 42.92 40.90 2roa s ASP 56 CO 0.45 -2.37 2.26 0.00 0.52 0.00 0.00 175.17 176.03 2roa h ALA 57 N 10.02 1.25 0.00 3.66 0.00 -1.86 -2.21 119.26 130.12 2roa h ALA 57 Ca 0.20 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2roa h ALA 57 Cb 0.97 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2roa h ALA 57 CO 1.29 0.03 -2.07 -0.40 0.00 0.00 0.00 179.25 178.10 2roa n ASP 58 N -3.48 0.28 -2.11 0.00 5.68 -1.26 -5.01 116.55 110.64 2roa n ASP 58 Ca -0.03 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.13 2roa n ASP 58 Cb 0.12 1.62 0.04 0.00 -1.14 0.00 0.00 41.12 41.75 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 1.49 0.09 0.17 6.12 0.00 -0.83 -4.91 105.19 107.33 2roa n GLY 59 Ca -0.13 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2roa n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2roa h ASN 60 N -1.33 0.00 0.00 1.61 -0.26 -1.95 -3.46 115.58 110.19 2roa h ASN 60 Ca -0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 2roa h ASN 60 Cb 1.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 2roa h ASN 60 CO 0.31 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.29 2roa n GLY 61 N 0.38 0.68 3.22 2.83 0.00 -1.26 -5.04 105.19 105.99 2roa n GLY 61 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.49 0.36 -0.16 2.61 -4.23 -1.26 -3.40 115.64 107.07 2roa s THR 62 Ca 0.00 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2roa s THR 62 Cb 0.00 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 2roa s THR 62 CO 0.00 -0.28 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.05 2roa s ILE 63 N -3.88 2.98 0.58 2.99 1.01 0.63 -4.93 121.20 120.57 2roa s ILE 63 Ca 0.30 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.38 2roa s ILE 63 Cb 0.07 -2.28 0.09 0.00 0.01 0.00 0.00 42.46 40.35 2roa s ILE 63 CO 0.07 0.50 0.80 -1.61 0.00 0.00 0.00 174.94 174.70 2roa s GLU 64 N 0.77 2.28 0.11 2.79 2.02 -1.26 -1.92 118.70 123.49 2roa s GLU 64 Ca -0.05 -1.63 -0.25 0.00 0.02 0.00 0.00 54.97 53.06 2roa s GLU 64 Cb -0.15 -2.64 -0.09 0.00 0.10 0.00 0.00 34.13 31.35 2roa s GLU 64 CO 0.01 -0.89 1.67 0.35 0.02 0.00 0.00 175.26 176.43 2roa h PHE 65 N 0.15 -0.42 -0.66 1.61 3.57 -1.98 1.40 116.94 120.61 2roa h PHE 65 Ca -0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2roa h PHE 65 Cb 1.29 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 2roa h PHE 65 CO 0.41 -0.24 0.42 -0.44 -2.23 0.00 0.00 178.31 176.23 2roa h ASP 66 N -0.30 0.77 -0.35 0.41 3.32 -1.98 0.40 116.42 118.68 2roa h ASP 66 Ca 0.03 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2roa h ASP 66 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2roa h ASP 66 CO -0.11 0.58 0.03 -0.33 -1.72 0.00 0.00 179.24 177.69 2roa h GLU 67 N 0.89 0.60 -0.65 3.56 5.08 -1.81 -1.24 114.58 121.02 2roa h GLU 67 Ca 0.24 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2roa h GLU 67 Cb -0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2roa h GLU 67 CO -0.05 0.70 0.37 0.35 -1.00 0.00 0.00 179.01 179.38 2roa h PHE 68 N 0.43 0.87 -0.80 4.33 3.57 0.24 -0.88 116.94 124.70 2roa h PHE 68 Ca 0.10 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2roa h PHE 68 Cb 0.40 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2roa h PHE 68 CO 0.03 0.60 0.39 1.25 -2.23 0.00 0.00 178.31 178.35 2roa h LEU 69 N 0.88 1.04 -0.37 0.59 5.85 -0.05 -1.87 115.31 121.38 2roa h LEU 69 Ca 0.23 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2roa h LEU 69 Cb 0.00 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2roa h LEU 69 CO -0.04 0.88 0.15 -1.28 -0.34 0.00 0.00 178.44 177.81 2roa h SER 70 N 1.13 0.51 -0.81 1.25 0.87 -0.73 0.82 113.55 116.58 2roa h SER 70 Ca 0.27 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2roa h SER 70 Cb 0.11 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 2roa h SER 70 CO -0.04 0.54 0.52 0.25 -0.53 0.00 0.00 176.83 177.57 2roa h LEU 71 N 0.45 0.85 0.07 2.23 5.85 -0.80 2.96 115.31 126.91 2roa h LEU 71 Ca 0.12 -0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.59 2roa h LEU 71 Cb 0.19 -0.18 0.02 0.00 0.37 0.00 0.00 40.66 41.06 2roa h LEU 71 CO -0.01 0.58 -1.05 -0.03 -0.34 0.00 0.00 178.44 177.59 2roa h MET 72 N 0.99 0.59 -0.16 1.25 4.05 -1.12 -2.01 114.93 118.53 2roa h MET 72 Ca 0.33 -0.73 -0.17 0.00 -0.28 0.00 0.00 59.70 58.85 2roa h MET 72 Cb 0.04 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2roa h MET 72 CO -0.12 1.31 -0.60 0.00 0.23 0.00 0.00 176.91 177.73 2roa h ALA 73 N 0.31 0.66 0.00 0.39 0.00 0.11 -0.34 119.26 120.39 2roa h ALA 73 Ca -0.15 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 2roa h ALA 73 Cb 1.73 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2roa h ALA 73 CO 0.20 0.71 -0.57 1.57 0.00 0.00 0.00 179.25 181.16 2roa h LYS 74 N 0.39 0.00 0.01 0.00 5.09 0.52 1.63 116.57 124.22 2roa h LYS 74 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 60.65 60.49 2roa h LYS 74 Cb 1.16 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.45 2roa h LYS 74 CO 0.11 0.57 -1.26 -0.22 -2.09 0.00 0.00 179.45 176.56 2roa h LYS 75 N 0.00 0.01 -0.03 0.07 1.63 -1.27 -3.34 116.57 113.65 2roa h LYS 75 Ca -0.01 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2roa h LYS 75 Cb 1.20 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2roa h LYS 75 CO 0.07 0.84 -0.35 0.28 -3.45 0.00 0.00 179.45 176.84 2roa n VAL 76 N -3.26 2.17 -0.26 2.00 0.31 -0.15 -4.75 118.33 114.40 2roa n VAL 76 Ca -0.06 -2.98 0.10 0.00 -0.01 0.00 0.00 64.34 61.39 2roa n VAL 76 Cb 0.98 -0.25 0.35 0.00 -0.91 0.00 0.00 33.84 34.02 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 0.81 0.73 -0.22 5.55 3.64 0.23 -2.26 116.57 125.05 2roa h LYS 77 Ca 0.02 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2roa h LYS 77 Cb 1.06 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.65 2roa h LYS 77 CO 0.04 0.48 -0.33 0.22 -2.27 0.00 0.00 179.45 177.59 2roa h ASP 78 N 0.75 -1.04 0.00 4.20 1.82 -1.85 -3.50 116.42 116.79 2roa h ASP 78 Ca 0.42 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.22 2roa h ASP 78 Cb 0.56 0.46 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2roa h ASP 78 CO -0.18 -0.35 0.00 0.41 -1.61 0.00 0.00 179.24 177.51