#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 5.95 0.82 0.00 1.01 -1.26 -4.95 116.67 118.23 2roa s ASP 2 Ca 0.00 2.20 -0.17 0.00 0.71 0.00 0.00 52.55 55.28 2roa s ASP 2 Cb 0.00 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.20 2roa s ASP 2 CO 0.00 -1.06 -0.54 -0.38 0.21 0.00 0.00 175.17 173.39 2roa n ILE 3 N -0.97 0.01 0.22 0.77 -0.00 -1.26 -4.80 119.36 113.33 2roa n ILE 3 Ca 0.10 -0.50 0.05 0.00 -0.00 0.00 0.00 62.75 62.40 2roa n ILE 3 Cb 0.50 -0.01 0.48 0.00 -0.00 0.00 0.00 39.64 40.61 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 -0.64 0.00 -7.26 1.39 -0.00 -2.10 -3.36 115.31 103.35 2roa h LEU 4 Ca -0.43 0.00 -0.44 0.00 -0.00 0.00 0.00 57.88 57.01 2roa h LEU 4 Cb 1.35 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 42.07 2roa h LEU 4 CO 0.30 0.23 1.32 -1.54 -0.00 0.00 0.00 178.44 178.75 2roa n SER 5 N -4.21 1.96 -4.06 -0.43 3.41 -1.26 -4.81 113.62 104.22 2roa n SER 5 Ca -0.02 -2.59 -0.40 0.00 -0.26 0.00 0.00 58.87 55.59 2roa n SER 5 Cb 0.29 -1.18 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 2roa n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2roa n GLU 6 N 7.79 2.35 -0.07 4.33 1.02 -1.26 -4.51 120.64 130.28 2roa n GLU 6 Ca 0.46 -2.54 -0.18 0.00 -0.02 0.00 0.00 57.16 54.88 2roa n GLU 6 Cb 0.43 -3.32 -0.13 0.00 -0.02 0.00 0.00 31.44 28.40 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 7.29 0.69 0.12 3.49 2.13 -1.26 -3.27 120.64 129.83 2roa n GLU 7 Ca 0.49 0.19 -0.24 0.00 0.66 0.00 0.00 57.16 58.27 2roa n GLU 7 Cb 0.42 -1.61 -0.16 0.00 0.27 0.00 0.00 31.44 30.37 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2roa h GLN 8 N 0.03 0.48 -0.32 5.31 3.07 -1.99 -2.74 115.11 118.95 2roa h GLN 8 Ca -0.50 -0.82 -0.05 0.00 0.09 0.00 0.00 58.65 57.37 2roa h GLN 8 Cb 1.98 0.31 -0.01 0.00 0.08 0.00 0.00 27.48 29.84 2roa h GLN 8 CO -0.00 1.39 0.00 0.82 0.09 0.00 0.00 178.83 181.13 2roa h ILE 9 N 0.04 1.26 -0.20 1.86 2.04 -1.90 0.18 117.51 120.78 2roa h ILE 9 Ca -0.25 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 2roa h ILE 9 Cb 2.06 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 2roa h ILE 9 CO 0.24 0.31 0.11 1.62 0.00 0.00 0.00 178.15 180.43 2roa h VAL 10 N 0.37 1.11 -0.36 1.67 3.04 -1.67 0.86 116.25 121.27 2roa h VAL 10 Ca 0.09 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 2roa h VAL 10 Cb 0.44 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 2roa h VAL 10 CO 0.02 0.10 0.18 -0.78 -1.01 0.00 0.00 177.57 176.08 2roa h ASP 11 N 0.23 0.47 -0.62 3.17 1.82 -1.42 -0.78 116.42 119.29 2roa h ASP 11 Ca 0.07 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 2roa h ASP 11 Cb 0.06 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 39.93 2roa h ASP 11 CO -0.01 0.45 0.31 -0.26 -1.61 0.00 0.00 179.24 178.11 2roa h PHE 12 N 0.45 0.88 -0.54 0.28 -1.00 -0.30 -1.63 116.94 115.08 2roa h PHE 12 Ca 0.13 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 2roa h PHE 12 Cb 0.10 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 2roa h PHE 12 CO -0.02 0.66 0.33 0.87 -1.61 0.00 0.00 178.31 178.54 2roa h LYS 13 N 0.84 0.72 -0.40 1.51 1.79 0.11 0.26 116.57 121.41 2roa h LYS 13 Ca 0.21 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.53 2roa h LYS 13 Cb 0.10 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2roa h LYS 13 CO -0.03 0.50 -0.18 1.49 -1.08 0.00 0.00 179.45 180.15 2roa h GLU 14 N 0.74 0.75 -0.47 3.15 4.81 -0.29 0.69 114.58 123.95 2roa h GLU 14 Ca 0.20 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 2roa h GLU 14 Cb -0.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2roa h GLU 14 CO -0.04 0.88 -0.21 0.00 -0.73 0.00 0.00 179.01 178.91 2roa h ALA 15 N 1.14 0.66 -0.13 2.92 0.00 -0.36 -1.19 119.26 122.30 2roa h ALA 15 Ca 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2roa h ALA 15 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2roa h ALA 15 CO 0.05 0.64 -0.05 0.35 0.00 0.00 0.00 179.25 180.24 2roa h PHE 16 N 0.82 0.30 -0.72 0.00 3.57 -0.70 -1.69 116.94 118.51 2roa h PHE 16 Ca 0.11 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2roa h PHE 16 Cb 0.79 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 2roa h PHE 16 CO 0.05 0.58 0.47 0.78 -2.23 0.00 0.00 178.31 177.96 2roa h GLY 17 N -0.06 1.02 1.18 2.40 0.00 -0.85 0.25 103.07 107.00 2roa h GLY 17 Ca 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2roa h GLY 17 CO 0.02 0.38 0.29 -2.00 0.00 0.00 0.00 176.54 175.23 2roa h LEU 18 N 0.98 0.96 -0.50 3.11 5.85 -1.18 -2.49 115.31 122.05 2roa h LEU 18 Ca 0.26 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 2roa h LEU 18 Cb -0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 2roa h LEU 18 CO -0.06 0.85 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.09 2roa h PHE 19 N 1.03 0.73 -1.22 1.25 -1.00 -0.53 -3.15 116.94 114.06 2roa h PHE 19 Ca 0.24 -0.26 -0.55 0.00 2.81 0.00 0.00 57.97 60.22 2roa h PHE 19 Cb 0.19 -0.14 -0.19 0.00 3.61 0.00 0.00 35.95 39.41 2roa h PHE 19 CO 0.02 1.00 0.53 -3.47 -1.61 0.00 0.00 178.31 174.77 2roa n ASP 20 N -3.96 6.69 -0.59 2.17 2.03 0.82 -4.76 116.55 118.95 2roa n ASP 20 Ca -0.03 -3.33 0.44 0.00 0.52 0.00 0.00 54.79 52.39 2roa n ASP 20 Cb 0.60 -1.19 0.68 0.00 -0.72 0.00 0.00 41.12 40.50 2roa n ASP 20 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2roa n LYS 21 N 0.56 -0.00 0.18 -0.67 3.00 -1.16 0.31 118.16 120.37 2roa n LYS 21 Ca 0.49 0.90 0.03 0.00 -0.00 0.00 0.00 58.31 59.74 2roa n LYS 21 Cb 0.49 -2.08 0.32 0.00 0.00 0.00 0.00 35.03 33.76 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2roa h ASP 22 N 0.00 0.00 -0.00 3.14 3.32 -1.86 -3.47 116.42 117.56 2roa h ASP 22 Ca 0.78 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.83 2roa h ASP 22 Cb 3.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 42.70 2roa h ASP 22 CO -0.01 0.43 -0.00 0.61 -1.72 0.00 0.00 179.24 178.55 2roa n GLY 23 N 0.01 0.49 0.02 2.75 0.00 0.90 -4.89 105.19 104.47 2roa n GLY 23 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.05 0.10 0.00 1.61 5.75 -1.26 -4.83 116.55 117.97 2roa n ASP 24 Ca -0.00 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 2roa n ASP 24 Cb 0.01 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 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 -0.14 1.34 3.01 6.12 0.00 -1.26 -5.02 105.19 109.24 2roa n GLY 25 Ca 0.03 0.00 -0.21 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 0.30 5.19 0.67 0.00 1.01 -0.93 -4.92 121.20 122.52 2roa s ILE 27 Ca -0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 2roa s ILE 27 Cb -0.10 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.63 2roa s ILE 27 CO 0.01 -0.12 1.04 0.42 0.00 0.00 0.00 174.94 176.29 2roa s THR 28 N 1.69 3.40 0.20 2.92 -4.23 -1.26 -0.74 115.64 117.62 2roa s THR 28 Ca 0.05 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 2roa s THR 28 Cb -0.18 -3.42 0.12 0.00 1.34 0.00 0.00 72.50 70.36 2roa s THR 28 CO 0.10 -0.51 1.81 -0.37 -0.54 0.00 0.00 174.62 175.10 2roa h VAL 29 N -0.52 0.99 -1.00 2.29 -1.51 -1.93 0.48 116.25 115.05 2roa h VAL 29 Ca -0.45 -0.22 0.04 0.00 -1.23 0.00 0.00 66.70 64.83 2roa h VAL 29 Cb 1.26 0.28 -0.06 0.00 -2.13 0.00 0.00 31.29 30.64 2roa h VAL 29 CO 0.63 0.12 0.65 -0.08 -1.23 0.00 0.00 177.57 177.66 2roa h GLU 30 N 0.65 1.23 -0.33 5.19 4.81 -1.93 0.35 114.58 124.55 2roa h GLU 30 Ca 0.27 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.27 2roa h GLU 30 Cb 0.13 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 2roa h GLU 30 CO -0.15 0.81 -0.40 0.93 -0.73 0.00 0.00 179.01 179.47 2roa h GLU 31 N 1.26 0.85 -0.40 1.92 5.08 -1.59 -2.35 114.58 119.35 2roa h GLU 31 Ca 0.40 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2roa h GLU 31 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2roa h GLU 31 CO -0.13 1.11 0.20 1.25 -1.00 0.00 0.00 179.01 180.45 2roa h LEU 32 N 0.64 0.51 -1.07 1.33 6.46 0.76 -0.87 115.31 123.08 2roa h LEU 32 Ca 0.04 -0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.80 2roa h LEU 32 Cb 0.99 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 40.71 2roa h LEU 32 CO 0.10 0.48 0.62 0.00 -0.62 0.00 0.00 178.44 179.02 2roa h ALA 33 N 1.05 1.57 -0.64 1.25 0.00 -0.25 0.21 119.26 122.45 2roa h ALA 33 Ca 0.14 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2roa h ALA 33 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2roa h ALA 33 CO -0.02 0.20 0.05 1.15 0.00 0.00 0.00 179.25 180.63 2roa h THR 34 N 0.95 1.26 -0.25 0.00 2.02 -0.81 0.47 112.91 116.55 2roa h THR 34 Ca 0.48 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 2roa h THR 34 Cb 0.49 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2roa h THR 34 CO -0.24 0.40 0.06 0.58 0.37 0.00 0.00 175.52 176.69 2roa h VAL 35 N 1.01 1.22 -0.76 3.16 2.07 0.66 -1.84 116.25 121.76 2roa h VAL 35 Ca 0.19 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2roa h VAL 35 Cb 0.50 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2roa h VAL 35 CO 0.02 0.23 0.36 0.40 0.02 0.00 0.00 177.57 178.60 2roa h ILE 36 N 0.23 1.24 -0.90 4.57 2.04 -0.69 -1.90 117.51 122.11 2roa h ILE 36 Ca 0.08 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.30 2roa h ILE 36 Cb 0.30 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 2roa h ILE 36 CO 0.00 0.29 0.57 -0.09 0.00 0.00 0.00 178.15 178.92 2roa h ARG 37 N 1.09 1.02 -0.09 2.37 2.43 -0.59 -1.33 114.38 119.28 2roa h ARG 37 Ca 0.26 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2roa h ARG 37 Cb 0.13 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2roa h ARG 37 CO -0.03 0.67 -0.40 1.03 -1.51 0.00 0.00 179.97 179.73 2roa h SER 38 N 1.05 0.19 -0.74 -3.80 0.87 -0.60 -3.18 113.55 107.34 2roa h SER 38 Ca 0.38 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.89 2roa h SER 38 Cb 0.13 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2roa h SER 38 CO -0.16 0.58 0.48 -0.07 -0.53 0.00 0.00 176.83 177.13 2roa h LEU 39 N 0.16 0.80 0.00 2.23 3.38 -0.53 -3.46 115.31 117.90 2roa h LEU 39 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2roa h LEU 39 Cb 0.78 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2roa h LEU 39 CO 0.06 0.56 0.00 -0.90 0.09 0.00 0.00 178.44 178.25 2roa n ASP 40 N -4.61 0.00 -3.95 -0.43 5.75 -1.17 -5.13 116.55 107.01 2roa n ASP 40 Ca 0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.77 2roa n ASP 40 Cb 0.06 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.11 2roa n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2roa s GLN 41 N 0.00 1.60 -0.45 0.11 -2.07 -1.21 -5.09 119.66 112.55 2roa s GLN 41 Ca 0.00 -1.17 0.06 0.00 -1.82 0.00 0.00 55.36 52.43 2roa s GLN 41 Cb 0.00 0.51 0.18 0.00 -1.09 0.00 0.00 33.01 32.60 2roa s GLN 41 CO 0.00 -0.68 0.57 0.54 -1.32 0.00 0.00 175.29 174.39 2roa s ASN 42 N -2.99 -0.42 1.48 12.60 4.22 -1.26 -3.29 114.94 125.28 2roa s ASN 42 Ca 0.19 -1.74 -0.24 0.00 -2.14 0.00 0.00 52.86 48.92 2roa s ASN 42 Cb -0.02 1.23 0.39 0.00 1.28 0.00 0.00 41.25 44.12 2roa s ASN 42 CO 0.08 -0.14 0.89 -2.65 -2.04 0.00 0.00 177.10 173.24 2roa n PRO 43 N 3.50 -4.86 -3.11 3.55 -0.02 -1.26 -5.00 135.00 127.79 2roa n PRO 43 Ca 0.17 -1.44 -0.29 0.00 -2.02 0.00 0.00 63.50 59.92 2roa n PRO 43 Cb 0.52 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 2roa n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2roa s THR 44 N -2.12 4.92 0.43 3.45 -4.23 -1.26 -4.88 115.64 111.95 2roa s THR 44 Ca 0.68 0.28 0.29 0.00 -1.18 0.00 0.00 61.69 61.76 2roa s THR 44 Cb -0.13 -3.74 0.47 0.00 1.34 0.00 0.00 72.50 70.44 2roa s THR 44 CO 0.57 -0.43 1.61 -0.33 -0.54 0.00 0.00 174.62 175.50 2roa h GLU 45 N 1.43 0.07 0.17 3.99 5.08 -1.98 0.50 114.58 123.83 2roa h GLU 45 Ca -0.47 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2roa h GLU 45 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2roa h GLU 45 CO 0.65 0.04 -0.20 0.93 -1.00 0.00 0.00 179.01 179.44 2roa h GLU 46 N 0.07 -0.39 -0.88 2.33 4.39 -1.98 0.49 114.58 118.61 2roa h GLU 46 Ca 0.83 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.56 2roa h GLU 46 Cb 2.55 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 31.25 2roa h GLU 46 CO -0.48 -0.26 0.52 0.93 -1.16 0.00 0.00 179.01 178.56 2roa h GLU 47 N -0.41 1.19 -0.63 2.33 3.07 -0.40 1.19 114.58 120.92 2roa h GLU 47 Ca 0.01 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 2roa h GLU 47 Cb 0.40 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 2roa h GLU 47 CO -0.07 0.84 0.33 -0.07 -1.40 0.00 0.00 179.01 178.64 2roa h LEU 48 N 1.21 0.80 -0.08 1.33 4.07 -0.79 0.60 115.31 122.44 2roa h LEU 48 Ca 0.31 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.08 2roa h LEU 48 Cb -0.04 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.50 2roa h LEU 48 CO -0.06 0.67 -0.30 -0.61 -1.08 0.00 0.00 178.44 177.06 2roa h GLN 49 N 0.86 0.34 -0.88 1.13 5.75 0.72 -1.20 115.11 121.83 2roa h GLN 49 Ca 0.22 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2roa h GLN 49 Cb 0.06 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 2roa h GLN 49 CO -0.03 0.90 0.46 -0.44 -2.65 0.00 0.00 178.83 177.06 2roa h ASP 50 N -0.14 1.12 -0.30 -0.69 3.32 0.16 1.40 116.42 121.29 2roa h ASP 50 Ca -0.02 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 2roa h ASP 50 Cb 0.94 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2roa h ASP 50 CO 0.06 0.92 -0.09 0.24 -1.72 0.00 0.00 179.24 178.66 2roa h MET 51 N 1.24 0.59 -0.34 3.56 2.86 0.18 0.16 114.93 123.18 2roa h MET 51 Ca 0.31 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2roa h MET 51 Cb 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2roa h MET 51 CO -0.05 0.79 -0.03 0.82 1.06 0.00 0.00 176.91 179.50 2roa h ILE 52 N 0.35 1.27 -0.97 -1.22 2.04 -0.77 -2.87 117.51 115.34 2roa h ILE 52 Ca 0.07 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2roa h ILE 52 Cb 0.58 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 2roa h ILE 52 CO 0.03 0.34 0.61 -1.28 0.00 0.00 0.00 178.15 177.85 2roa h SER 53 N 0.41 1.15 -0.95 1.72 0.87 0.20 2.46 113.55 119.41 2roa h SER 53 Ca 0.09 -0.05 0.24 0.00 -1.23 0.00 0.00 61.79 60.84 2roa h SER 53 Cb 0.50 -0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 62.10 2roa h SER 53 CO 0.02 0.86 0.64 -0.08 -0.53 0.00 0.00 176.83 177.74 2roa h GLU 54 N 1.33 0.28 0.00 2.24 4.22 -0.45 -2.94 114.58 119.26 2roa h GLU 54 Ca 0.35 -0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.61 2roa h GLU 54 Cb -0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2roa h GLU 54 CO -0.07 0.18 -1.62 1.55 -2.18 0.00 0.00 179.01 176.87 2roa n VAL 55 N -4.46 0.62 -1.42 0.32 3.14 -0.63 -4.81 118.33 111.08 2roa n VAL 55 Ca 0.21 -0.35 -0.28 0.00 -2.96 0.00 0.00 64.34 60.95 2roa n VAL 55 Cb 0.83 -0.79 -0.10 0.00 -1.06 0.00 0.00 33.84 32.72 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 -2.44 1.88 0.24 6.55 -0.08 0.82 -4.62 116.55 118.91 2roa n ASP 56 Ca -0.16 -2.57 0.16 0.00 -1.51 0.00 0.00 54.79 50.71 2roa n ASP 56 Cb 0.77 -1.39 0.86 0.00 2.34 0.00 0.00 41.12 43.70 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 10.29 1.70 0.00 -1.67 0.00 -1.84 -1.28 119.26 126.46 2roa h ALA 57 Ca 0.17 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2roa h ALA 57 Cb 0.87 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2roa h ALA 57 CO 1.41 -0.17 -1.73 -0.40 0.00 0.00 0.00 179.25 178.37 2roa n ASP 58 N -3.85 0.38 -1.91 0.00 5.68 -1.26 -5.00 116.55 110.58 2roa n ASP 58 Ca -0.00 0.16 -0.13 0.00 -0.50 0.00 0.00 54.79 54.31 2roa n ASP 58 Cb 0.22 1.08 0.03 0.00 -1.14 0.00 0.00 41.12 41.30 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 1.36 0.04 0.17 6.12 0.00 -0.48 -4.92 105.19 107.48 2roa n GLY 59 Ca -0.10 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.98 0.00 0.00 1.61 -1.07 -1.94 -3.46 115.58 109.73 2roa h ASN 60 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.07 2roa h ASN 60 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2roa h ASN 60 CO 0.32 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.43 2roa n GLY 61 N 0.92 0.72 3.24 9.14 0.00 -1.26 -5.06 105.19 112.89 2roa n GLY 61 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.34 0.73 -0.13 2.61 -4.23 -1.26 -2.86 115.64 108.16 2roa s THR 62 Ca 0.00 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 2roa s THR 62 Cb 0.00 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.76 2roa s THR 62 CO 0.00 -0.52 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.76 2roa s ILE 63 N -3.62 2.66 0.33 2.99 1.01 0.08 -4.89 121.20 119.75 2roa s ILE 63 Ca 0.23 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.15 2roa s ILE 63 Cb 0.06 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2roa s ILE 63 CO 0.03 0.53 0.33 -0.70 0.00 0.00 0.00 174.94 175.14 2roa s GLU 64 N 0.47 2.85 0.13 2.79 2.12 -1.26 -2.19 118.70 123.60 2roa s GLU 64 Ca -0.12 -1.20 -0.32 0.00 0.36 0.00 0.00 54.97 53.69 2roa s GLU 64 Cb -0.16 -2.58 -0.11 0.00 0.26 0.00 0.00 34.13 31.54 2roa s GLU 64 CO 0.05 0.11 1.54 0.35 -0.54 0.00 0.00 175.26 176.77 2roa h PHE 65 N 1.17 -1.68 -0.86 5.30 3.57 -1.97 1.96 116.94 124.44 2roa h PHE 65 Ca -0.45 0.08 0.20 0.00 3.53 0.00 0.00 57.97 61.32 2roa h PHE 65 Cb 1.25 0.78 -0.12 0.00 2.79 0.00 0.00 35.95 40.66 2roa h PHE 65 CO 0.50 -0.49 0.35 -0.44 -2.23 0.00 0.00 178.31 176.01 2roa h ASP 66 N -0.40 0.29 -0.32 0.41 3.32 -1.98 1.50 116.42 119.24 2roa h ASP 66 Ca 0.07 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 2roa h ASP 66 Cb 0.59 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2roa h ASP 66 CO -0.58 0.03 -0.27 -0.33 -1.72 0.00 0.00 179.24 176.37 2roa h GLU 67 N 0.41 0.75 -0.53 3.56 5.08 -1.19 -2.22 114.58 120.43 2roa h GLU 67 Ca 0.51 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2roa h GLU 67 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2roa h GLU 67 CO -0.50 1.00 0.08 0.35 -1.00 0.00 0.00 179.01 178.94 2roa h PHE 68 N 0.51 0.89 -0.41 4.33 3.57 0.66 -0.47 116.94 126.02 2roa h PHE 68 Ca 0.06 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2roa h PHE 68 Cb 0.84 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2roa h PHE 68 CO 0.07 0.77 0.16 1.25 -2.23 0.00 0.00 178.31 178.32 2roa h LEU 69 N 0.81 0.57 -0.41 0.59 5.85 0.20 0.41 115.31 123.33 2roa h LEU 69 Ca 0.17 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2roa h LEU 69 Cb 0.37 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2roa h LEU 69 CO 0.01 0.59 0.03 0.28 -0.34 0.00 0.00 178.44 179.01 2roa h SER 70 N 0.51 0.68 -0.58 1.25 0.02 -1.11 -2.14 113.55 112.18 2roa h SER 70 Ca 0.14 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 2roa h SER 70 Cb 0.21 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2roa h SER 70 CO -0.01 0.79 0.25 0.25 -1.14 0.00 0.00 176.83 176.97 2roa h LEU 71 N 0.54 0.78 -0.52 5.07 5.85 -0.93 -1.75 115.31 124.35 2roa h LEU 71 Ca 0.12 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2roa h LEU 71 Cb 0.42 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2roa h LEU 71 CO 0.01 0.72 0.34 0.24 -0.34 0.00 0.00 178.44 179.42 2roa h MET 72 N 0.79 0.68 -0.02 1.25 2.86 -0.80 -1.10 114.93 118.60 2roa h MET 72 Ca 0.20 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2roa h MET 72 Cb 0.17 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2roa h MET 72 CO -0.02 0.45 -0.06 0.00 1.06 0.00 0.00 176.91 178.34 2roa h ALA 73 N 1.19 -0.05 -0.04 6.32 0.00 -1.09 0.70 119.26 126.30 2roa h ALA 73 Ca 0.19 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2roa h ALA 73 Cb -0.08 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2roa h ALA 73 CO -0.04 -0.55 0.05 0.87 0.00 0.00 0.00 179.25 179.57 2roa h LYS 74 N -0.10 0.00 0.00 0.00 1.57 -0.98 3.57 116.57 120.62 2roa h LYS 74 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2roa h LYS 74 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2roa h LYS 74 CO -0.08 0.00 -1.10 1.63 -0.57 0.00 0.00 179.45 179.33 2roa n LYS 75 N -3.81 0.61 -2.68 3.15 4.76 -0.36 -4.27 118.16 115.56 2roa n LYS 75 Ca -0.02 0.12 -0.05 0.00 -2.87 0.00 0.00 58.31 55.49 2roa n LYS 75 Cb 0.13 -1.81 0.04 0.00 -1.84 0.00 0.00 35.03 31.55 2roa n LYS 75 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2roa n VAL 76 N -2.69 1.48 0.32 -0.18 0.31 0.23 -4.86 118.33 112.94 2roa n VAL 76 Ca -0.02 -3.19 0.21 0.00 -0.01 0.00 0.00 64.34 61.33 2roa n VAL 76 Cb 0.59 0.78 1.04 0.00 -0.91 0.00 0.00 33.84 35.35 2roa n VAL 76 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2roa h LYS 77 N 2.57 0.00 0.69 5.55 2.10 0.64 -3.00 116.57 125.12 2roa h LYS 77 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 2roa h LYS 77 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2roa h LYS 77 CO 0.32 0.00 -0.50 0.22 -2.00 0.00 0.00 179.45 177.49 2roa h ASP 78 N 0.00 -1.31 0.00 7.07 3.58 -1.89 -3.50 116.42 120.36 2roa h ASP 78 Ca -0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2roa h ASP 78 Cb 0.17 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2roa h ASP 78 CO 0.00 -0.73 0.00 0.41 -2.88 0.00 0.00 179.24 176.04