#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roa h ASP 2 N 0.00 0.47 -5.09 0.00 3.32 -2.14 -3.49 116.42 109.48 2roa h ASP 2 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.84 2roa h ASP 2 Cb 0.00 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 39.31 2roa h ASP 2 CO 0.00 0.56 -1.47 -0.38 -1.72 0.00 0.00 179.24 176.23 2roa n ILE 3 N -4.67-12.20 -0.13 0.35 2.08 -1.26 -4.84 119.36 98.69 2roa n ILE 3 Ca -0.02 2.56 0.02 0.00 0.56 0.00 0.00 62.75 65.87 2roa n ILE 3 Cb 0.17 -6.38 0.33 0.00 -0.75 0.00 0.00 39.64 33.01 2roa n ILE 3 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2roa h LEU 4 N 4.08 0.69 0.00 1.39 -0.00 -2.11 -3.47 115.31 115.88 2roa h LEU 4 Ca -0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 2roa h LEU 4 Cb 1.11 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2roa h LEU 4 CO 0.02 0.50 0.00 -1.20 -0.00 0.00 0.00 178.44 177.75 2roa n SER 5 N -4.45 0.00 -1.29 -0.43 7.64 -1.26 -4.93 113.62 108.91 2roa n SER 5 Ca 0.06 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.94 2roa n SER 5 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2roa n SER 5 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2roa n GLU 6 N 3.92 -0.06 -0.12 1.43 2.13 -1.26 -5.03 120.64 121.65 2roa n GLU 6 Ca 0.00 0.01 -0.25 0.00 0.66 0.00 0.00 57.16 57.58 2roa n GLU 6 Cb 0.00 -2.03 -0.10 0.00 0.27 0.00 0.00 31.44 29.58 2roa n GLU 6 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2roa n GLU 7 N -1.29 0.57 -0.25 5.31 2.13 -1.26 -3.68 120.64 122.17 2roa n GLU 7 Ca -0.00 0.39 -0.07 0.00 0.66 0.00 0.00 57.16 58.15 2roa n GLU 7 Cb 0.50 -1.60 0.05 0.00 0.27 0.00 0.00 31.44 30.66 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 1.06 -0.58 5.31 3.07 -2.00 -2.29 115.11 118.68 2roa h GLN 8 Ca -0.52 -0.20 -0.04 0.00 0.09 0.00 0.00 58.65 57.98 2roa h GLN 8 Cb 1.44 -0.17 -0.03 0.00 0.08 0.00 0.00 27.48 28.81 2roa h GLN 8 CO -0.32 0.88 0.22 0.82 0.09 0.00 0.00 178.83 180.53 2roa h ILE 9 N 1.01 1.23 -0.38 1.86 2.04 -1.98 0.97 117.51 122.26 2roa h ILE 9 Ca 0.23 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.38 2roa h ILE 9 Cb 0.23 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2roa h ILE 9 CO -0.02 0.28 0.17 0.58 0.00 0.00 0.00 178.15 179.17 2roa h VAL 10 N 0.81 0.95 -0.09 1.67 2.07 -1.56 1.68 116.25 121.78 2roa h VAL 10 Ca 0.19 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2roa h VAL 10 Cb 0.23 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2roa h VAL 10 CO -0.01 0.07 0.01 -0.78 0.02 0.00 0.00 177.57 176.88 2roa h ASP 11 N 0.36 0.15 -0.12 0.57 1.82 -1.18 -0.36 116.42 117.66 2roa h ASP 11 Ca 0.17 -0.26 -0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2roa h ASP 11 Cb 0.09 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 2roa h ASP 11 CO -0.13 0.38 0.07 -0.26 -1.61 0.00 0.00 179.24 177.68 2roa h PHE 12 N -0.08 0.16 -0.41 0.28 -1.00 -0.37 -1.48 116.94 114.04 2roa h PHE 12 Ca 0.03 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.83 2roa h PHE 12 Cb 0.29 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 2roa h PHE 12 CO 0.02 0.17 0.28 -0.22 -1.61 0.00 0.00 178.31 176.94 2roa h LYS 13 N 0.11 0.44 -0.50 1.51 3.64 0.25 -0.69 116.57 121.33 2roa h LYS 13 Ca 0.04 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2roa h LYS 13 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2roa h LYS 13 CO -0.01 0.29 -0.11 1.49 -2.27 0.00 0.00 179.45 178.84 2roa h GLU 14 N 0.45 0.91 -0.28 1.90 4.57 -0.36 0.13 114.58 121.90 2roa h GLU 14 Ca 0.17 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 2roa h GLU 14 Cb 0.11 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2roa h GLU 14 CO -0.04 0.97 0.10 0.00 -1.18 0.00 0.00 179.01 178.86 2roa h ALA 15 N 1.05 0.37 -0.09 2.92 0.00 -0.16 -0.71 119.26 122.63 2roa h ALA 15 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2roa h ALA 15 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2roa h ALA 15 CO 0.04 -0.02 0.02 0.35 0.00 0.00 0.00 179.25 179.64 2roa h PHE 16 N 0.29 0.16 -0.73 0.00 3.57 -1.11 -1.23 116.94 117.89 2roa h PHE 16 Ca 0.09 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.65 2roa h PHE 16 Cb 0.22 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 2roa h PHE 16 CO 0.00 0.35 0.39 0.78 -2.23 0.00 0.00 178.31 177.61 2roa h GLY 17 N -0.07 1.10 1.25 2.40 0.00 -0.67 0.24 103.07 107.32 2roa h GLY 17 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2roa h GLY 17 CO 0.00 0.11 0.16 -2.00 0.00 0.00 0.00 176.54 174.81 2roa h LEU 18 N 0.68 0.88 -0.53 3.11 5.85 -1.00 -2.71 115.31 121.59 2roa h LEU 18 Ca 0.35 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 2roa h LEU 18 Cb 0.31 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2roa h LEU 18 CO -0.24 0.85 0.01 -0.26 -0.34 0.00 0.00 178.44 178.46 2roa h PHE 19 N 0.90 1.01 -0.43 1.25 -1.00 0.25 -3.12 116.94 115.80 2roa h PHE 19 Ca 0.20 -0.17 -0.56 0.00 2.81 0.00 0.00 57.97 60.25 2roa h PHE 19 Cb 0.31 -0.26 -0.06 0.00 3.61 0.00 0.00 35.95 39.55 2roa h PHE 19 CO 0.02 0.92 2.08 -3.47 -1.61 0.00 0.00 178.31 176.25 2roa n ASP 20 N -4.29 7.49 0.28 2.17 2.03 0.66 -4.72 116.55 120.17 2roa n ASP 20 Ca 0.02 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.55 2roa n ASP 20 Cb 0.32 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 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 2.51 0.03 0.03 -0.67 4.81 -1.18 0.29 118.16 123.98 2roa n LYS 21 Ca 0.63 0.79 -0.02 0.00 -0.87 0.00 0.00 58.31 58.84 2roa n LYS 21 Cb 0.43 -2.32 -0.09 0.00 0.02 0.00 0.00 35.03 33.07 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 -0.04 3.14 3.32 -1.87 -3.48 116.42 117.50 2roa h ASP 22 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2roa h ASP 22 Cb 1.76 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.30 2roa h ASP 22 CO 0.00 0.69 -0.01 0.61 -1.72 0.00 0.00 179.24 178.80 2roa n GLY 23 N 1.41 0.44 0.22 2.75 0.00 0.83 -4.87 105.19 105.96 2roa n GLY 23 Ca -0.09 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 2.03 -1.93 -3.45 116.42 114.68 2roa h ASP 24 Ca -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2roa h ASP 24 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 2roa h ASP 24 CO 0.02 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 2roa n GLY 25 N -0.57 1.16 2.97 7.15 0.00 -1.26 -5.05 105.19 109.58 2roa n GLY 25 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 0.17 5.17 0.74 0.00 1.01 -0.91 -4.91 121.20 122.47 2roa s ILE 27 Ca -0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 2roa s ILE 27 Cb -0.07 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.58 2roa s ILE 27 CO -0.00 -0.16 1.10 -0.89 0.00 0.00 0.00 174.94 174.99 2roa s THR 28 N 1.99 3.28 0.18 2.92 2.01 -1.26 -1.20 115.64 123.56 2roa s THR 28 Ca 0.11 0.41 -0.13 0.00 0.31 0.00 0.00 61.69 62.39 2roa s THR 28 Cb -0.17 -3.32 0.08 0.00 0.01 0.00 0.00 72.50 69.09 2roa s THR 28 CO 0.12 -0.54 1.76 0.58 -0.69 0.00 0.00 174.62 175.85 2roa h VAL 29 N -0.82 0.88 -0.87 3.82 2.07 -1.94 0.55 116.25 119.94 2roa h VAL 29 Ca -0.46 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2roa h VAL 29 Cb 1.26 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2roa h VAL 29 CO 0.62 0.07 0.55 -0.08 0.02 0.00 0.00 177.57 178.75 2roa h GLU 30 N 0.39 1.01 -0.46 1.57 4.81 -1.92 0.48 114.58 120.44 2roa h GLU 30 Ca 0.22 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2roa h GLU 30 Cb 0.20 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2roa h GLU 30 CO -0.20 0.67 -0.10 0.93 -0.73 0.00 0.00 179.01 179.58 2roa h GLU 31 N 1.04 0.89 -0.47 1.92 5.08 -1.56 -1.64 114.58 119.84 2roa h GLU 31 Ca 0.36 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2roa h GLU 31 Cb 0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2roa h GLU 31 CO -0.14 0.98 0.21 1.25 -1.00 0.00 0.00 179.01 180.31 2roa h LEU 32 N 0.73 0.62 -0.90 1.33 7.12 0.98 -1.58 115.31 123.60 2roa h LEU 32 Ca 0.12 -0.14 0.11 0.00 0.13 0.00 0.00 57.88 58.09 2roa h LEU 32 Cb 0.64 -0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.53 2roa h LEU 32 CO 0.04 0.59 0.54 0.00 -0.13 0.00 0.00 178.44 179.49 2roa h ALA 33 N 1.06 1.32 -0.52 1.25 0.00 0.17 0.40 119.26 122.94 2roa h ALA 33 Ca 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2roa h ALA 33 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2roa h ALA 33 CO -0.02 0.16 0.29 1.15 0.00 0.00 0.00 179.25 180.83 2roa h THR 34 N 0.88 1.17 -0.14 0.00 2.02 -0.56 0.81 112.91 117.09 2roa h THR 34 Ca 0.44 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2roa h THR 34 Cb 0.41 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2roa h THR 34 CO -0.26 0.18 0.03 0.58 0.37 0.00 0.00 175.52 176.42 2roa h VAL 35 N 0.69 1.21 -0.78 3.16 2.07 -0.12 -1.91 116.25 120.58 2roa h VAL 35 Ca 0.18 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2roa h VAL 35 Cb 0.03 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2roa h VAL 35 CO -0.03 0.20 0.41 0.40 0.02 0.00 0.00 177.57 178.57 2roa h ILE 36 N 0.02 1.24 -0.90 4.57 1.08 -0.03 -1.75 117.51 121.73 2roa h ILE 36 Ca 0.04 -0.61 0.06 0.00 -0.39 0.00 0.00 64.86 63.96 2roa h ILE 36 Cb 0.29 0.20 -0.06 0.00 -3.07 0.00 0.00 36.82 34.17 2roa h ILE 36 CO 0.00 0.27 0.57 -0.09 -0.69 0.00 0.00 178.15 178.21 2roa h ARG 37 N 1.10 1.00 -0.40 2.37 2.43 0.91 -0.68 114.38 121.11 2roa h ARG 37 Ca 0.27 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2roa h ARG 37 Cb 0.06 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2roa h ARG 37 CO -0.04 0.66 -0.02 0.77 -1.51 0.00 0.00 179.97 179.83 2roa h SER 38 N 1.03 0.62 0.00 -3.80 0.02 -0.53 -2.78 113.55 108.10 2roa h SER 38 Ca 0.39 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2roa h SER 38 Cb 0.18 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2roa h SER 38 CO -0.18 0.70 0.00 0.18 -1.14 0.00 0.00 176.83 176.39 2roa n LEU 39 N -4.23 0.60 -1.13 5.07 4.77 -0.27 -4.71 117.00 117.09 2roa n LEU 39 Ca 0.02 -0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 2roa n LEU 39 Cb 0.28 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2roa n LEU 39 CO 0.40 0.13 -0.14 0.47 -1.33 0.00 0.00 177.39 176.92 2roa n ASP 40 N 0.36 -5.18 -4.00 -1.43 8.00 -1.05 -4.97 116.55 108.29 2roa n ASP 40 Ca 0.00 0.37 -0.18 0.00 0.71 0.00 0.00 54.79 55.69 2roa n ASP 40 Cb 0.13 -3.97 -0.15 0.00 -0.02 0.00 0.00 41.12 37.11 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 -3.20 0.65 -0.43 -1.24 2.00 -1.16 -5.07 119.66 111.22 2roa s GLN 41 Ca 0.00 -0.27 0.05 0.00 -2.00 0.00 0.00 55.36 53.14 2roa s GLN 41 Cb 0.00 -0.63 0.20 0.00 0.80 0.00 0.00 33.01 33.38 2roa s GLN 41 CO 0.00 0.15 0.41 0.27 -0.50 0.00 0.00 175.29 175.63 2roa n ASN 42 N 2.95 0.02 -4.59 6.67 0.23 -1.26 -2.89 115.26 116.39 2roa n ASN 42 Ca -0.14 -2.54 -0.28 0.00 -0.53 0.00 0.00 54.58 51.08 2roa n ASN 42 Cb 0.57 -0.59 0.21 0.00 -2.08 0.00 0.00 39.78 37.89 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 2roa s PRO 43 N -0.47 -0.20 0.30 -0.53 0.02 -1.26 -5.02 135.00 127.84 2roa s PRO 43 Ca 0.33 0.66 -0.14 0.00 0.02 0.00 0.00 61.00 61.87 2roa s PRO 43 Cb 0.08 -1.65 -0.09 0.00 0.02 0.00 0.00 34.50 32.86 2roa s PRO 43 CO -0.17 -3.20 0.70 0.95 -0.33 0.00 0.00 177.00 174.96 2roa s THR 44 N -2.74 4.72 0.34 0.99 -4.23 -1.26 -4.87 115.64 108.59 2roa s THR 44 Ca 0.67 0.87 0.13 0.00 -1.18 0.00 0.00 61.69 62.18 2roa s THR 44 Cb -0.21 -3.62 0.37 0.00 1.34 0.00 0.00 72.50 70.38 2roa s THR 44 CO 0.61 -0.15 1.54 -0.62 -0.54 0.00 0.00 174.62 175.46 2roa n GLU 45 N -0.27 -0.07 -0.21 3.99 4.71 -1.26 0.16 120.64 127.70 2roa n GLU 45 Ca 0.03 1.40 0.00 0.00 -0.01 0.00 0.00 57.16 58.58 2roa n GLU 45 Cb 0.53 -2.39 0.08 0.00 -1.01 0.00 0.00 31.44 28.65 2roa n GLU 45 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2roa h GLU 46 N 0.00 0.05 -0.49 3.49 4.81 -1.99 0.97 114.58 121.43 2roa h GLU 46 Ca 0.73 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.88 2roa h GLU 46 Cb 1.80 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.15 2roa h GLU 46 CO -0.82 0.04 -0.02 1.49 -0.73 0.00 0.00 179.01 178.96 2roa h GLU 47 N 0.06 0.88 -0.59 1.92 4.57 0.12 -0.37 114.58 121.17 2roa h GLU 47 Ca 0.31 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2roa h GLU 47 Cb 0.50 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 2roa h GLU 47 CO -0.58 0.93 0.27 -0.07 -1.18 0.00 0.00 179.01 178.38 2roa h LEU 48 N 0.73 0.78 0.11 1.64 4.07 -0.36 0.11 115.31 122.39 2roa h LEU 48 Ca 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2roa h LEU 48 Cb 0.55 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2roa h LEU 48 CO 0.03 0.70 -0.05 1.56 -1.08 0.00 0.00 178.44 179.60 2roa h GLN 49 N 0.80 -0.14 -0.32 1.13 4.20 0.11 0.63 115.11 121.52 2roa h GLN 49 Ca 0.20 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.93 2roa h GLN 49 Cb 0.14 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2roa h GLN 49 CO -0.02 0.04 0.22 0.22 -0.67 0.00 0.00 178.83 178.61 2roa h ASP 50 N -0.29 0.37 -0.03 1.46 3.58 -0.90 0.92 116.42 121.52 2roa h ASP 50 Ca -0.01 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.32 2roa h ASP 50 Cb 0.24 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.20 2roa h ASP 50 CO 0.02 0.26 -0.38 -0.03 -2.88 0.00 0.00 179.24 176.23 2roa h MET 51 N 0.43 0.31 -0.48 0.28 4.05 -0.38 0.08 114.93 119.23 2roa h MET 51 Ca 0.12 -0.30 -0.03 0.00 -0.28 0.00 0.00 59.70 59.21 2roa h MET 51 Cb -0.04 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 2roa h MET 51 CO -0.03 0.97 0.18 0.82 0.23 0.00 0.00 176.91 179.09 2roa h ILE 52 N -0.24 1.21 -0.34 1.77 2.04 0.90 -2.03 117.51 120.82 2roa h ILE 52 Ca -0.04 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2roa h ILE 52 Cb 1.08 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2roa h ILE 52 CO 0.08 0.25 0.11 -1.28 0.00 0.00 0.00 178.15 177.31 2roa h SER 53 N 0.63 0.49 -0.58 1.72 0.87 0.81 2.75 113.55 120.24 2roa h SER 53 Ca 0.16 -0.20 0.10 0.00 -1.23 0.00 0.00 61.79 60.62 2roa h SER 53 Cb 0.21 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2roa h SER 53 CO -0.01 0.56 0.39 -0.08 -0.53 0.00 0.00 176.83 177.17 2roa h GLU 54 N 0.40 0.37 0.00 2.24 4.81 -0.73 -3.04 114.58 118.63 2roa h GLU 54 Ca 0.11 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.01 2roa h GLU 54 Cb 0.24 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 2roa h GLU 54 CO -0.00 0.24 -2.17 1.33 -0.73 0.00 0.00 179.01 177.68 2roa n VAL 55 N -4.47 1.18 -2.30 0.32 0.24 -0.79 -4.86 118.33 107.65 2roa n VAL 55 Ca 0.10 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.34 61.34 2roa n VAL 55 Cb 0.38 -0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 2roa n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2roa s ASP 56 N -5.36 5.99 0.41 -1.34 -1.08 0.92 -4.82 116.67 111.39 2roa s ASP 56 Ca -0.14 0.41 0.20 0.00 -0.52 0.00 0.00 52.55 52.49 2roa s ASP 56 Cb 0.06 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.87 2roa s ASP 56 CO 0.63 -1.79 1.84 0.00 0.52 0.00 0.00 175.17 176.37 2roa h ALA 57 N 11.76 1.16 0.00 3.66 0.00 -1.84 -3.04 119.26 130.95 2roa h ALA 57 Ca -0.27 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2roa h ALA 57 Cb 1.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2roa h ALA 57 CO 1.17 0.38 -1.73 -0.40 0.00 0.00 0.00 179.25 178.67 2roa n ASP 58 N -3.68 0.38 -3.11 0.00 5.68 -1.26 -5.00 116.55 109.56 2roa n ASP 58 Ca -0.01 0.16 -0.20 0.00 -0.50 0.00 0.00 54.79 54.24 2roa n ASP 58 Cb 0.41 1.06 0.07 0.00 -1.14 0.00 0.00 41.12 41.52 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 1.37 -0.31 0.14 6.12 0.00 -1.15 -4.90 105.19 106.45 2roa n GLY 59 Ca -0.10 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.22 0.00 0.00 1.61 7.08 -1.94 -3.47 115.58 116.64 2roa h ASN 60 Ca -0.48 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 2roa h ASN 60 Cb 1.31 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.55 2roa h ASN 60 CO 0.47 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.43 2roa n GLY 61 N 1.24 0.51 3.42 9.14 0.00 -1.26 -5.07 105.19 113.18 2roa n GLY 61 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.97 -0.14 2.61 -4.23 -1.26 -3.10 115.64 108.49 2roa s THR 62 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2roa s THR 62 Cb 0.00 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.14 2roa s THR 62 CO 0.00 0.00 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.25 2roa s ILE 63 N -3.40 2.23 0.46 2.99 1.01 -0.34 -4.91 121.20 119.24 2roa s ILE 63 Ca 0.36 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2roa s ILE 63 Cb 0.08 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.66 2roa s ILE 63 CO 0.15 0.54 0.66 -0.70 0.00 0.00 0.00 174.94 175.59 2roa s GLU 64 N 0.80 2.85 0.15 2.79 2.12 -1.26 -2.14 118.70 124.02 2roa s GLU 64 Ca -0.07 -0.78 -0.18 0.00 0.36 0.00 0.00 54.97 54.31 2roa s GLU 64 Cb -0.16 -2.60 0.06 0.00 0.26 0.00 0.00 34.13 31.69 2roa s GLU 64 CO -0.01 -0.38 1.69 0.35 -0.54 0.00 0.00 175.26 176.37 2roa h PHE 65 N 0.39 -0.13 -0.89 5.30 3.57 -1.99 0.66 116.94 123.86 2roa h PHE 65 Ca -0.44 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.12 2roa h PHE 65 Cb 1.27 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.07 2roa h PHE 65 CO 0.41 -0.12 0.58 0.22 -2.23 0.00 0.00 178.31 177.17 2roa h ASP 66 N 0.03 0.97 -0.45 0.41 3.58 -1.97 0.48 116.42 119.47 2roa h ASP 66 Ca 0.16 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.52 2roa h ASP 66 Cb 0.24 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2roa h ASP 66 CO -0.32 0.68 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.34 2roa h GLU 67 N 1.14 0.82 -0.60 0.28 5.08 -1.60 -1.78 114.58 117.92 2roa h GLU 67 Ca 0.35 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2roa h GLU 67 Cb -0.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2roa h GLU 67 CO -0.11 0.90 0.08 0.35 -1.00 0.00 0.00 179.01 179.23 2roa h PHE 68 N 0.66 1.07 -0.71 4.33 3.57 0.10 -1.22 116.94 124.74 2roa h PHE 68 Ca 0.12 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 2roa h PHE 68 Cb 0.56 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2roa h PHE 68 CO 0.04 0.93 0.33 1.25 -2.23 0.00 0.00 178.31 178.63 2roa h LEU 69 N 0.90 0.94 -0.31 0.59 5.85 0.07 0.15 115.31 123.49 2roa h LEU 69 Ca 0.18 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2roa h LEU 69 Cb 0.45 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2roa h LEU 69 CO 0.02 0.82 0.00 -1.28 -0.34 0.00 0.00 178.44 177.66 2roa h SER 70 N 1.00 0.54 -0.64 1.25 0.87 -1.14 -1.77 113.55 113.66 2roa h SER 70 Ca 0.24 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2roa h SER 70 Cb 0.14 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2roa h SER 70 CO -0.03 0.71 0.24 0.25 -0.53 0.00 0.00 176.83 177.48 2roa h LEU 71 N 0.35 0.89 -0.09 2.23 5.85 -0.94 0.46 115.31 124.05 2roa h LEU 71 Ca 0.09 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2roa h LEU 71 Cb 0.43 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2roa h LEU 71 CO 0.02 0.83 0.05 -0.03 -0.34 0.00 0.00 178.44 178.96 2roa h MET 72 N 0.90 0.12 -0.05 1.25 4.05 -0.62 -1.51 114.93 119.07 2roa h MET 72 Ca 0.21 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.61 2roa h MET 72 Cb 0.22 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2roa h MET 72 CO -0.02 0.13 0.00 0.00 0.23 0.00 0.00 176.91 177.26 2roa h ALA 73 N 0.99 0.06 -0.19 0.39 0.00 -1.14 -1.81 119.26 117.55 2roa h ALA 73 Ca 0.03 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2roa h ALA 73 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2roa h ALA 73 CO -0.01 -0.28 0.45 0.87 0.00 0.00 0.00 179.25 180.28 2roa h LYS 74 N -0.19 0.00 0.12 0.00 1.57 0.06 2.44 116.57 120.58 2roa h LYS 74 Ca 0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 2roa h LYS 74 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2roa h LYS 74 CO 0.00 0.00 -1.56 -0.22 -0.57 0.00 0.00 179.45 177.10 2roa h LYS 75 N 0.00 0.26 -0.65 3.15 3.64 -0.72 -3.35 116.57 118.91 2roa h LYS 75 Ca 0.09 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2roa h LYS 75 Cb 1.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2roa h LYS 75 CO -0.00 1.22 0.00 0.28 -2.27 0.00 0.00 179.45 178.67 2roa n VAL 76 N -3.82 1.76 0.00 2.00 0.31 0.40 -4.39 118.33 114.59 2roa n VAL 76 Ca -0.26 -1.11 0.00 0.00 -0.01 0.00 0.00 64.34 62.96 2roa n VAL 76 Cb 0.95 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 2roa n VAL 76 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2roa n LYS 77 N 1.01 0.00 0.12 5.55 4.81 0.79 -2.68 118.16 127.77 2roa n LYS 77 Ca 0.24 0.36 -0.14 0.00 -0.87 0.00 0.00 58.31 57.91 2roa n LYS 77 Cb 0.86 -1.52 -0.07 0.00 0.02 0.00 0.00 35.03 34.32 2roa n LYS 77 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2roa h ASP 78 N 0.00 -1.11 0.00 3.14 1.82 -1.82 -3.50 116.42 114.94 2roa h ASP 78 Ca 0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2roa h ASP 78 Cb 0.04 0.42 0.00 0.00 0.68 0.00 0.00 39.33 40.46 2roa h ASP 78 CO 0.00 -0.47 0.00 0.41 -1.61 0.00 0.00 179.24 177.57