#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 3.21 0.00 0.00 5.75 -1.26 -4.48 116.55 119.77 2roa n ASP 2 Ca 0.00 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.01 2roa n ASP 2 Cb 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 2roa n ASP 2 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2roa n ILE 3 N -1.09 0.00 -0.05 2.12 -5.35 -1.26 -4.85 119.36 108.88 2roa n ILE 3 Ca 0.41 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.88 2roa n ILE 3 Cb 1.12 0.00 0.27 0.00 -1.74 0.00 0.00 39.64 39.28 2roa n ILE 3 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2roa h LEU 4 N 0.00 0.59 -8.39 7.28 5.85 -2.11 -3.38 115.31 115.15 2roa h LEU 4 Ca 0.00 -0.10 -0.42 0.00 0.84 0.00 0.00 57.88 58.19 2roa h LEU 4 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2roa h LEU 4 CO 0.00 0.62 1.13 -0.44 -0.34 0.00 0.00 178.44 179.41 2roa s SER 5 N -6.67 5.22 -1.06 1.25 0.01 -1.26 -4.90 113.70 106.29 2roa s SER 5 Ca -0.08 -0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.04 2roa s SER 5 Cb 0.16 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 64.11 2roa s SER 5 CO 0.78 -2.51 1.06 -1.61 0.41 0.00 0.00 173.24 171.36 2roa s GLU 6 N 7.03 4.08 -0.21 12.44 2.02 -1.26 -4.59 118.70 138.22 2roa s GLU 6 Ca 0.68 -3.03 -0.19 0.00 0.02 0.00 0.00 54.97 52.45 2roa s GLU 6 Cb -0.10 -4.55 -0.16 0.00 0.10 0.00 0.00 34.13 29.41 2roa s GLU 6 CO 0.13 -1.28 0.10 -1.91 0.02 0.00 0.00 175.26 172.32 2roa n GLU 7 N 3.10 0.55 -0.15 1.61 2.13 -1.26 -3.31 120.64 123.30 2roa n GLU 7 Ca 0.22 0.54 -0.09 0.00 0.66 0.00 0.00 57.16 58.49 2roa n GLU 7 Cb 0.41 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 -1.00 0.68 -0.57 5.31 3.07 -1.99 -2.08 115.11 118.53 2roa h GLN 8 Ca -0.34 -0.14 -0.00 0.00 0.09 0.00 0.00 58.65 58.25 2roa h GLN 8 Cb 1.24 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 28.67 2roa h GLN 8 CO -0.21 0.66 0.36 0.82 0.09 0.00 0.00 178.83 180.55 2roa h ILE 9 N 0.57 1.16 -0.50 1.86 5.03 -1.94 -1.16 117.51 122.54 2roa h ILE 9 Ca 0.14 -0.34 0.04 0.00 -0.12 0.00 0.00 64.86 64.58 2roa h ILE 9 Cb 0.26 0.36 -0.04 0.00 -3.03 0.00 0.00 36.82 34.37 2roa h ILE 9 CO -0.01 0.16 0.25 0.58 -0.68 0.00 0.00 178.15 178.46 2roa h VAL 10 N 0.77 0.95 0.38 1.67 2.07 -1.49 1.86 116.25 122.47 2roa h VAL 10 Ca 0.21 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2roa h VAL 10 Cb -0.04 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2roa h VAL 10 CO -0.04 0.09 -0.24 -0.78 0.02 0.00 0.00 177.57 176.61 2roa h ASP 11 N 0.49 -0.62 -0.09 0.57 3.58 -0.89 1.40 116.42 120.87 2roa h ASP 11 Ca 0.22 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 2roa h ASP 11 Cb 0.13 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2roa h ASP 11 CO -0.16 -0.39 0.05 -0.26 -2.88 0.00 0.00 179.24 175.61 2roa h PHE 12 N -0.61 0.11 -0.41 0.28 0.04 -0.76 0.29 116.94 115.88 2roa h PHE 12 Ca -0.04 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2roa h PHE 12 Cb 0.50 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2roa h PHE 12 CO -0.10 0.11 0.23 -0.22 -0.60 0.00 0.00 178.31 177.73 2roa h LYS 13 N 0.08 0.56 -0.34 1.51 3.64 0.31 0.16 116.57 122.49 2roa h LYS 13 Ca 0.03 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2roa h LYS 13 Cb 0.03 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2roa h LYS 13 CO -0.01 0.41 -0.19 1.49 -2.27 0.00 0.00 179.45 178.88 2roa h GLU 14 N 0.57 0.73 -0.58 1.90 4.81 0.25 0.73 114.58 123.00 2roa h GLU 14 Ca 0.15 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 2roa h GLU 14 Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2roa h GLU 14 CO -0.03 0.94 -0.05 0.00 -0.73 0.00 0.00 179.01 179.14 2roa h ALA 15 N 0.77 0.79 -0.02 2.92 0.00 -0.27 -1.19 119.26 122.26 2roa h ALA 15 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2roa h ALA 15 Cb 0.74 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2roa h ALA 15 CO 0.06 0.67 0.00 0.35 0.00 0.00 0.00 179.25 180.33 2roa h PHE 16 N 0.95 0.05 -0.76 0.00 3.57 -0.57 -1.78 116.94 118.40 2roa h PHE 16 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2roa h PHE 16 Cb 0.62 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2roa h PHE 16 CO 0.04 0.32 0.48 0.78 -2.23 0.00 0.00 178.31 177.70 2roa h GLY 17 N -0.24 1.09 1.01 2.40 0.00 -0.80 -0.61 103.07 105.92 2roa h GLY 17 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2roa h GLY 17 CO 0.00 0.33 0.53 -2.00 0.00 0.00 0.00 176.54 175.40 2roa h LEU 18 N 0.95 1.00 -0.80 3.11 6.46 -1.14 -2.19 115.31 122.71 2roa h LEU 18 Ca 0.30 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 2roa h LEU 18 Cb -0.02 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 2roa h LEU 18 CO -0.10 0.76 0.20 -0.26 -0.62 0.00 0.00 178.44 178.42 2roa h PHE 19 N 1.16 1.14 -0.02 1.25 -1.00 -0.46 -3.02 116.94 116.00 2roa h PHE 19 Ca 0.31 -0.12 -0.42 0.00 2.81 0.00 0.00 57.97 60.54 2roa h PHE 19 Cb -0.08 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.13 2roa h PHE 19 CO -0.01 0.91 1.65 -3.47 -1.61 0.00 0.00 178.31 175.78 2roa n ASP 20 N -4.25 6.95 -0.04 2.17 2.03 -0.32 -4.68 116.55 118.41 2roa n ASP 20 Ca 0.06 -2.53 0.18 0.00 0.52 0.00 0.00 54.79 53.01 2roa n ASP 20 Cb 0.24 -1.48 0.28 0.00 -0.72 0.00 0.00 41.12 39.43 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 2.99 0.02 0.05 -0.67 4.81 -1.14 0.28 118.16 124.49 2roa n LYS 21 Ca 0.60 0.95 -0.02 0.00 -0.87 0.00 0.00 58.31 58.97 2roa n LYS 21 Cb 0.59 -2.43 -0.08 0.00 0.02 0.00 0.00 35.03 33.13 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2roa h ASP 22 N 0.00 0.00 -0.03 3.14 3.32 -1.88 -3.48 116.42 117.49 2roa h ASP 22 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2roa h ASP 22 Cb 2.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 42.05 2roa h ASP 22 CO -0.00 0.72 -0.01 0.61 -1.72 0.00 0.00 179.24 178.84 2roa n GLY 23 N 1.39 0.47 0.20 2.75 0.00 0.80 -4.89 105.19 105.91 2roa n GLY 23 Ca -0.07 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2roa n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2roa h ASP 24 N 0.00 0.00 0.00 1.61 3.04 -1.93 -3.45 116.42 115.69 2roa h ASP 24 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2roa h ASP 24 Cb 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 2roa h ASP 24 CO 0.02 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 2roa n GLY 25 N -0.44 1.08 2.96 7.15 0.00 -1.26 -5.06 105.19 109.62 2roa n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.75 4.45 0.76 0.00 1.09 -0.98 -4.92 121.20 120.85 2roa s ILE 27 Ca -0.08 -0.12 -0.10 0.00 -1.10 0.00 0.00 60.65 59.24 2roa s ILE 27 Cb -0.05 -3.09 0.06 0.00 -1.06 0.00 0.00 42.46 38.33 2roa s ILE 27 CO -0.00 0.33 1.11 0.42 -0.10 0.00 0.00 174.94 176.70 2roa s THR 28 N 1.62 2.33 0.22 2.92 -4.23 -1.26 -1.33 115.64 115.90 2roa s THR 28 Ca 0.06 -0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 2roa s THR 28 Cb -0.15 -3.08 0.16 0.00 1.34 0.00 0.00 72.50 70.77 2roa s THR 28 CO 0.05 -0.10 1.81 0.58 -0.54 0.00 0.00 174.62 176.42 2roa h VAL 29 N -0.85 0.96 -0.58 2.29 2.07 -1.94 0.86 116.25 119.07 2roa h VAL 29 Ca -0.45 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2roa h VAL 29 Cb 1.31 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2roa h VAL 29 CO 0.64 0.13 0.27 -0.33 0.02 0.00 0.00 177.57 178.31 2roa h GLU 30 N 0.73 0.83 -0.57 1.57 4.39 -1.93 0.28 114.58 119.89 2roa h GLU 30 Ca 0.33 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.79 2roa h GLU 30 Cb 0.23 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2roa h GLU 30 CO -0.20 0.68 -0.08 0.93 -1.16 0.00 0.00 179.01 179.18 2roa h GLU 31 N 0.78 1.06 -0.37 2.33 5.08 -1.62 -2.14 114.58 119.70 2roa h GLU 31 Ca 0.20 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2roa h GLU 31 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2roa h GLU 31 CO -0.02 1.08 0.16 1.25 -1.00 0.00 0.00 179.01 180.47 2roa h LEU 32 N 0.94 0.51 -1.03 1.33 5.85 0.11 -1.95 115.31 121.06 2roa h LEU 32 Ca 0.15 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.88 2roa h LEU 32 Cb 0.65 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.46 2roa h LEU 32 CO 0.05 0.52 0.62 0.00 -0.34 0.00 0.00 178.44 179.28 2roa h ALA 33 N 1.01 1.65 -0.67 1.25 0.00 -0.15 0.32 119.26 122.67 2roa h ALA 33 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2roa h ALA 33 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2roa h ALA 33 CO -0.01 0.02 0.36 1.15 0.00 0.00 0.00 179.25 180.77 2roa h THR 34 N 0.83 1.21 -0.02 0.00 2.02 -0.71 0.82 112.91 117.06 2roa h THR 34 Ca 0.55 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2roa h THR 34 Cb 0.77 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2roa h THR 34 CO -0.33 0.24 -0.00 0.58 0.37 0.00 0.00 175.52 176.37 2roa h VAL 35 N 0.91 1.31 -0.85 3.16 2.07 0.00 -2.13 116.25 120.72 2roa h VAL 35 Ca 0.23 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2roa h VAL 35 Cb 0.06 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2roa h VAL 35 CO -0.04 0.24 0.49 0.40 0.02 0.00 0.00 177.57 178.68 2roa h ILE 36 N -0.35 1.24 -0.90 4.57 5.03 -0.51 -1.65 117.51 124.94 2roa h ILE 36 Ca 0.00 -0.56 0.08 0.00 -0.12 0.00 0.00 64.86 64.26 2roa h ILE 36 Cb 0.39 0.07 -0.07 0.00 -3.03 0.00 0.00 36.82 34.18 2roa h ILE 36 CO 0.00 0.26 0.56 -0.09 -0.68 0.00 0.00 178.15 178.20 2roa h ARG 37 N 1.18 0.95 -0.46 2.37 2.43 0.11 -0.98 114.38 119.97 2roa h ARG 37 Ca 0.30 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2roa h ARG 37 Cb -0.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 2roa h ARG 37 CO -0.05 0.63 -0.05 0.77 -1.51 0.00 0.00 179.97 179.76 2roa h SER 38 N 0.98 0.77 0.00 -3.80 0.02 -0.63 -2.90 113.55 107.99 2roa h SER 38 Ca 0.41 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2roa h SER 38 Cb 0.25 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2roa h SER 38 CO -0.20 0.87 0.00 0.18 -1.14 0.00 0.00 176.83 176.54 2roa n LEU 39 N -4.19 0.61 -0.73 5.07 4.77 -0.39 -4.69 117.00 117.45 2roa n LEU 39 Ca 0.02 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.60 2roa n LEU 39 Cb 0.33 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2roa n LEU 39 CO 0.42 0.13 -0.09 0.47 -1.33 0.00 0.00 177.39 176.99 2roa n ASP 40 N 0.43 -4.86 -4.00 -1.43 8.00 -1.10 -4.98 116.55 108.62 2roa n ASP 40 Ca 0.00 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.60 2roa n ASP 40 Cb 0.13 -3.20 -0.13 0.00 -0.02 0.00 0.00 41.12 37.91 2roa n ASP 40 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2roa s GLN 41 N -2.60 0.41 -0.45 -1.24 0.74 -1.12 -5.07 119.66 110.34 2roa s GLN 41 Ca 0.00 -0.46 0.05 0.00 0.05 0.00 0.00 55.36 55.00 2roa s GLN 41 Cb 0.00 -0.25 0.18 0.00 1.10 0.00 0.00 33.01 34.03 2roa s GLN 41 CO 0.00 0.05 0.51 0.54 -0.55 0.00 0.00 175.29 175.84 2roa s ASN 42 N -0.90 0.14 0.89 6.67 2.20 -1.26 -2.35 114.94 120.33 2roa s ASN 42 Ca -0.06 -2.21 -0.11 0.00 -0.94 0.00 0.00 52.86 49.54 2roa s ASN 42 Cb -0.06 0.74 0.12 0.00 -2.00 0.00 0.00 41.25 40.05 2roa s ASN 42 CO -0.00 -0.14 1.09 -2.84 -2.94 0.00 0.00 177.10 172.27 2roa s PRO 43 N 0.68 1.32 0.55 3.55 0.02 -1.26 -5.03 135.00 134.83 2roa s PRO 43 Ca 0.28 0.94 -0.10 0.00 0.02 0.00 0.00 61.00 62.14 2roa s PRO 43 Cb -0.01 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 2roa s PRO 43 CO -0.10 -2.23 0.93 0.95 -0.33 0.00 0.00 177.00 176.22 2roa s THR 44 N -2.89 4.76 0.28 0.99 -4.23 -1.26 -4.77 115.64 108.52 2roa s THR 44 Ca 0.63 0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 61.83 2roa s THR 44 Cb -0.18 -3.84 0.39 0.00 1.34 0.00 0.00 72.50 70.21 2roa s THR 44 CO 0.57 -0.97 1.43 1.21 -0.54 0.00 0.00 174.62 176.33 2roa n GLU 45 N -2.38 -0.07 -0.06 3.99 2.13 -1.26 -0.28 120.64 122.70 2roa n GLU 45 Ca 0.04 1.38 -0.10 0.00 0.66 0.00 0.00 57.16 59.15 2roa n GLU 45 Cb 0.54 -2.17 -0.07 0.00 0.27 0.00 0.00 31.44 30.01 2roa n GLU 45 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2roa h GLU 46 N 0.00 -0.31 -0.90 5.31 5.08 -1.99 1.03 114.58 122.81 2roa h GLU 46 Ca 0.53 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 59.00 2roa h GLU 46 Cb 1.05 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 2roa h GLU 46 CO -0.88 -0.21 0.55 0.93 -1.00 0.00 0.00 179.01 178.40 2roa h GLU 47 N -0.32 0.92 -0.67 2.33 3.07 -0.99 0.22 114.58 119.13 2roa h GLU 47 Ca 0.04 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2roa h GLU 47 Cb 0.43 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2roa h GLU 47 CO -0.37 0.61 0.40 -0.07 -1.40 0.00 0.00 179.01 178.18 2roa h LEU 48 N 0.95 0.80 0.17 1.33 3.38 0.28 0.37 115.31 122.59 2roa h LEU 48 Ca 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2roa h LEU 48 Cb 0.30 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2roa h LEU 48 CO -0.22 0.63 -0.08 1.56 0.09 0.00 0.00 178.44 180.42 2roa h GLN 49 N 0.91 -0.23 -0.83 1.13 4.20 0.24 0.55 115.11 121.08 2roa h GLN 49 Ca 0.24 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.00 2roa h GLN 49 Cb -0.03 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 2roa h GLN 49 CO -0.05 0.06 0.55 0.22 -0.67 0.00 0.00 178.83 178.94 2roa h ASP 50 N -0.51 0.90 -0.05 1.46 1.82 -0.42 1.51 116.42 121.12 2roa h ASP 50 Ca -0.02 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 2roa h ASP 50 Cb 0.39 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2roa h ASP 50 CO 0.04 0.62 -0.13 0.24 -1.61 0.00 0.00 179.24 178.39 2roa h MET 51 N 1.04 0.18 -0.21 0.28 2.86 -0.14 -0.18 114.93 118.75 2roa h MET 51 Ca 0.33 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2roa h MET 51 Cb 0.02 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2roa h MET 51 CO -0.10 0.74 0.09 0.82 1.06 0.00 0.00 176.91 179.52 2roa h ILE 52 N -0.35 1.16 -0.49 -1.22 2.04 0.59 -2.80 117.51 116.44 2roa h ILE 52 Ca -0.00 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2roa h ILE 52 Cb 0.75 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2roa h ILE 52 CO 0.03 0.16 0.28 0.77 0.00 0.00 0.00 178.15 179.39 2roa h SER 53 N 0.19 0.43 -1.56 1.72 4.64 0.21 1.82 113.55 121.00 2roa h SER 53 Ca 0.07 0.01 0.45 0.00 -0.47 0.00 0.00 61.79 61.86 2roa h SER 53 Cb 0.18 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 2roa h SER 53 CO -0.01 0.30 1.13 -0.08 -0.87 0.00 0.00 176.83 177.31 2roa h GLU 54 N 0.55 0.00 0.00 4.77 4.81 -0.74 -1.92 114.58 122.05 2roa h GLU 54 Ca 0.21 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2roa h GLU 54 Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2roa h GLU 54 CO -0.11 0.00 -1.35 1.55 -0.73 0.00 0.00 179.01 178.36 2roa n VAL 55 N -4.04 0.35 -1.55 0.32 3.14 -0.42 -4.88 118.33 111.25 2roa n VAL 55 Ca 0.34 -0.21 -0.13 0.00 -2.96 0.00 0.00 64.34 61.38 2roa n VAL 55 Cb 1.62 -0.85 -0.09 0.00 -1.06 0.00 0.00 33.84 33.46 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 -2.24 1.45 -0.10 6.55 -0.08 0.61 -4.66 116.55 118.06 2roa n ASP 56 Ca -0.09 -1.82 0.07 0.00 -1.51 0.00 0.00 54.79 51.44 2roa n ASP 56 Cb 0.66 -1.63 0.41 0.00 2.34 0.00 0.00 41.12 42.90 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 12.21 1.78 0.00 -1.67 0.00 -1.86 -2.20 119.26 127.51 2roa h ALA 57 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2roa h ALA 57 Cb 1.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2roa h ALA 57 CO 1.02 0.13 -1.43 -0.40 0.00 0.00 0.00 179.25 178.57 2roa n ASP 58 N -4.47 0.59 -3.01 0.00 5.75 -1.26 -5.02 116.55 109.11 2roa n ASP 58 Ca 0.08 0.24 -0.07 0.00 -0.01 0.00 0.00 54.79 55.03 2roa n ASP 58 Cb 0.21 0.81 0.03 0.00 -1.03 0.00 0.00 41.12 41.14 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 1.28 -1.07 0.00 6.12 0.00 -0.83 -4.96 105.19 105.73 2roa n GLY 59 Ca -0.05 0.47 0.06 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.42 1.04 0.00 1.61 0.23 -1.26 -4.98 115.26 109.47 2roa n ASN 60 Ca -0.03 -0.55 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 2roa n ASN 60 Cb 0.56 1.20 0.00 0.00 -2.08 0.00 0.00 39.78 39.45 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 1.45 0.83 3.24 4.83 0.00 -1.26 -5.07 105.19 109.20 2roa n GLY 61 Ca 0.01 0.00 -0.13 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 -2.10 0.65 -0.11 2.61 -4.23 -1.26 -2.91 115.64 108.29 2roa s THR 62 Ca 0.00 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2roa s THR 62 Cb 0.00 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2roa s THR 62 CO 0.00 -0.48 -0.22 -0.63 -0.54 0.00 0.00 174.62 172.75 2roa s ILE 63 N -3.67 1.95 0.49 2.99 1.01 -0.44 -4.93 121.20 118.59 2roa s ILE 63 Ca 0.24 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 60.03 2roa s ILE 63 Cb 0.06 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.86 2roa s ILE 63 CO 0.04 0.53 0.55 -1.61 0.00 0.00 0.00 174.94 174.45 2roa s GLU 64 N 0.54 2.47 0.12 2.79 2.02 -1.26 -2.33 118.70 123.05 2roa s GLU 64 Ca -0.15 -1.60 -0.23 0.00 0.02 0.00 0.00 54.97 53.01 2roa s GLU 64 Cb -0.17 -2.48 -0.05 0.00 0.10 0.00 0.00 34.13 31.53 2roa s GLU 64 CO 0.05 -0.50 1.67 0.35 0.02 0.00 0.00 175.26 176.85 2roa h PHE 65 N 0.63 -0.39 -0.55 1.61 3.57 -1.98 1.43 116.94 121.26 2roa h PHE 65 Ca -0.37 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.19 2roa h PHE 65 Cb 1.28 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 2roa h PHE 65 CO 0.56 -0.22 0.31 -0.44 -2.23 0.00 0.00 178.31 176.28 2roa h ASP 66 N -0.22 0.47 -0.33 0.41 3.32 -1.98 0.81 116.42 118.89 2roa h ASP 66 Ca 0.07 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2roa h ASP 66 Cb 0.32 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2roa h ASP 66 CO -0.19 0.32 0.02 -0.33 -1.72 0.00 0.00 179.24 177.34 2roa h GLU 67 N 0.60 0.58 -0.47 3.56 5.08 -1.78 -0.72 114.58 121.42 2roa h GLU 67 Ca 0.23 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2roa h GLU 67 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2roa h GLU 67 CO -0.13 0.69 0.21 0.35 -1.00 0.00 0.00 179.01 179.13 2roa h PHE 68 N 0.39 0.69 -0.67 4.33 3.57 0.26 0.18 116.94 125.69 2roa h PHE 68 Ca 0.10 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2roa h PHE 68 Cb 0.42 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2roa h PHE 68 CO 0.03 0.57 0.31 1.25 -2.23 0.00 0.00 178.31 178.24 2roa h LEU 69 N 0.62 0.89 -0.32 0.59 6.46 0.73 -1.21 115.31 123.07 2roa h LEU 69 Ca 0.16 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 2roa h LEU 69 Cb 0.15 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2roa h LEU 69 CO -0.02 0.78 0.10 -1.28 -0.62 0.00 0.00 178.44 177.41 2roa h SER 70 N 0.94 0.46 -0.81 1.25 0.87 -0.85 0.26 113.55 115.66 2roa h SER 70 Ca 0.23 -0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2roa h SER 70 Cb 0.14 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 2roa h SER 70 CO -0.03 0.54 0.52 0.25 -0.53 0.00 0.00 176.83 177.58 2roa h LEU 71 N 0.36 0.86 0.07 2.23 6.46 -0.65 2.31 115.31 126.96 2roa h LEU 71 Ca 0.10 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2roa h LEU 71 Cb 0.24 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2roa h LEU 71 CO -0.00 0.60 -0.03 -0.03 -0.62 0.00 0.00 178.44 178.35 2roa h MET 72 N 1.02 -0.09 -0.07 1.25 4.05 -1.02 -2.20 114.93 117.88 2roa h MET 72 Ca 0.32 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.70 2roa h MET 72 Cb 0.00 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 2roa h MET 72 CO -0.11 0.44 -0.19 0.00 0.23 0.00 0.00 176.91 177.28 2roa h ALA 73 N 0.15 1.57 -0.12 0.39 0.00 -0.28 0.14 119.26 121.11 2roa h ALA 73 Ca -0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2roa h ALA 73 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2roa h ALA 73 CO 0.02 0.32 -0.31 -0.22 0.00 0.00 0.00 179.25 179.05 2roa h LYS 74 N 0.10 0.24 0.00 0.00 3.64 0.39 3.01 116.57 123.96 2roa h LYS 74 Ca 0.02 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2roa h LYS 74 Cb 0.39 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2roa h LYS 74 CO 0.03 0.53 -0.78 1.63 -2.27 0.00 0.00 179.45 178.59 2roa n LYS 75 N -4.11 0.09 -0.45 1.90 5.02 -0.79 -4.07 118.16 115.74 2roa n LYS 75 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 2roa n LYS 75 Cb 0.40 -1.53 0.09 0.00 -0.02 0.00 0.00 35.03 33.98 2roa n LYS 75 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2roa n VAL 76 N -1.64 1.14 0.31 -0.18 0.31 0.43 -4.78 118.33 113.92 2roa n VAL 76 Ca 0.04 -1.59 0.17 0.00 -0.01 0.00 0.00 64.34 62.96 2roa n VAL 76 Cb 0.36 0.13 0.89 0.00 -0.91 0.00 0.00 33.84 34.31 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 0.28 0.00 0.13 5.55 5.09 0.53 -1.98 116.57 126.17 2roa h LYS 77 Ca -0.03 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.73 2roa h LYS 77 Cb 1.23 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.52 2roa h LYS 77 CO 0.01 0.00 -0.29 0.38 -2.09 0.00 0.00 179.45 177.46 2roa h ASP 78 N 0.00 -0.84 0.00 7.07 2.03 -1.86 -3.51 116.42 119.31 2roa h ASP 78 Ca 0.02 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 2roa h ASP 78 Cb 0.57 0.32 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 2roa h ASP 78 CO -0.00 -0.39 0.00 0.35 -1.03 0.00 0.00 179.24 178.17