#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 -1.54 0.00 0.00 -0.08 -1.26 -4.56 116.55 109.11 2roa n ASP 2 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2roa n ASP 2 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2roa n ASP 2 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2roa n ILE 3 N 0.00 0.00 0.17 5.18 5.41 -1.26 -4.73 119.36 124.13 2roa n ILE 3 Ca 0.00 -0.20 0.10 0.00 1.00 0.00 0.00 62.75 63.65 2roa n ILE 3 Cb 0.00 1.16 0.50 0.00 -0.71 0.00 0.00 39.64 40.59 2roa n ILE 3 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2roa n LEU 4 N -0.30 0.49 -4.39 1.39 4.77 -1.26 -4.75 117.00 112.96 2roa n LEU 4 Ca 0.00 0.72 -0.38 0.00 -0.03 0.00 0.00 56.01 56.32 2roa n LEU 4 Cb 0.04 -0.76 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 2roa n LEU 4 CO 0.00 -0.84 -0.18 -1.54 -1.33 0.00 0.00 177.39 173.50 2roa n SER 5 N -2.15 -1.96 -2.72 -1.43 3.41 -1.26 -4.96 113.62 102.55 2roa n SER 5 Ca -0.01 0.65 -0.08 0.00 -0.26 0.00 0.00 58.87 59.17 2roa n SER 5 Cb 0.05 -1.09 0.10 0.00 -0.26 0.00 0.00 64.21 63.02 2roa n SER 5 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2roa n GLU 6 N 0.27 1.11 -0.07 4.33 2.13 -1.26 -5.00 120.64 122.15 2roa n GLU 6 Ca 0.10 -1.92 -0.06 0.00 0.66 0.00 0.00 57.16 55.94 2roa n GLU 6 Cb 0.48 -0.54 -0.02 0.00 0.27 0.00 0.00 31.44 31.64 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 -0.14 0.41 -0.29 5.31 0.00 -1.26 -3.70 120.64 120.97 2roa n GLU 7 Ca 0.02 0.33 0.09 0.00 0.00 0.00 0.00 57.16 57.60 2roa n GLU 7 Cb 0.78 -1.40 0.32 0.00 0.00 0.00 0.00 31.44 31.14 2roa n GLU 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2roa h GLN 8 N -0.83 0.79 -0.59 5.31 3.07 -2.00 -0.28 115.11 120.58 2roa h GLN 8 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 2roa h GLN 8 Cb 0.62 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 27.98 2roa h GLN 8 CO 0.00 0.52 0.30 0.82 0.09 0.00 0.00 178.83 180.56 2roa h ILE 9 N 0.82 1.20 -0.62 1.86 2.04 -1.95 -1.88 117.51 118.98 2roa h ILE 9 Ca 0.44 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2roa h ILE 9 Cb 0.55 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2roa h ILE 9 CO -0.20 0.23 0.29 0.58 0.00 0.00 0.00 178.15 179.05 2roa h VAL 10 N 0.80 0.88 0.10 1.67 2.07 -1.14 0.85 116.25 121.49 2roa h VAL 10 Ca 0.20 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2roa h VAL 10 Cb 0.09 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2roa h VAL 10 CO -0.03 0.10 -0.09 -0.78 0.02 0.00 0.00 177.57 176.79 2roa h ASP 11 N 0.53 -0.23 -0.16 0.57 3.58 -1.02 0.21 116.42 119.91 2roa h ASP 11 Ca 0.29 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.78 2roa h ASP 11 Cb 0.27 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2roa h ASP 11 CO -0.23 -0.14 0.07 -0.26 -2.88 0.00 0.00 179.24 175.79 2roa h PHE 12 N -0.20 0.12 -0.82 0.28 0.04 -0.52 -0.31 116.94 115.52 2roa h PHE 12 Ca 0.00 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.86 2roa h PHE 12 Cb 0.19 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 2roa h PHE 12 CO -0.11 0.07 0.54 -0.22 -0.60 0.00 0.00 178.31 177.99 2roa h LYS 13 N 0.15 0.81 -0.46 1.51 3.11 0.99 0.81 116.57 123.48 2roa h LYS 13 Ca 0.07 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.76 2roa h LYS 13 Cb 0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 2roa h LYS 13 CO -0.06 0.53 -0.10 1.49 -2.81 0.00 0.00 179.45 178.50 2roa h GLU 14 N 0.83 0.89 -0.10 1.90 4.57 0.32 0.21 114.58 123.20 2roa h GLU 14 Ca 0.37 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2roa h GLU 14 Cb 0.35 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2roa h GLU 14 CO -0.14 0.98 0.04 0.00 -1.18 0.00 0.00 179.01 178.71 2roa h ALA 15 N 0.88 0.12 -0.06 2.92 0.00 0.26 0.02 119.26 123.40 2roa h ALA 15 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2roa h ALA 15 Cb 0.65 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2roa h ALA 15 CO 0.04 -0.31 0.02 0.35 0.00 0.00 0.00 179.25 179.36 2roa h PHE 16 N 0.02 0.09 -0.57 0.00 3.57 -0.81 -0.21 116.94 119.04 2roa h PHE 16 Ca 0.03 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2roa h PHE 16 Cb 0.13 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 2roa h PHE 16 CO -0.03 0.23 0.24 0.78 -2.23 0.00 0.00 178.31 177.30 2roa h GLY 17 N -0.07 0.79 1.10 2.40 0.00 -0.50 0.38 103.07 107.17 2roa h GLY 17 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 2roa h GLY 17 CO -0.00 0.04 0.32 -2.00 0.00 0.00 0.00 176.54 174.90 2roa h LEU 18 N 0.45 1.05 -0.56 3.11 6.46 -0.83 -2.65 115.31 122.33 2roa h LEU 18 Ca 0.27 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.82 2roa h LEU 18 Cb 0.27 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 2roa h LEU 18 CO -0.24 0.92 0.11 -0.26 -0.62 0.00 0.00 178.44 178.35 2roa h PHE 19 N 1.12 0.98 -0.35 1.25 -1.00 0.58 -2.99 116.94 116.53 2roa h PHE 19 Ca 0.26 -0.13 -0.44 0.00 2.81 0.00 0.00 57.97 60.47 2roa h PHE 19 Cb 0.19 -0.27 -0.07 0.00 3.61 0.00 0.00 35.95 39.41 2roa h PHE 19 CO 0.02 0.85 1.19 -3.47 -1.61 0.00 0.00 178.31 175.29 2roa n ASP 20 N -4.36 6.73 0.28 2.17 2.03 0.12 -4.69 116.55 118.83 2roa n ASP 20 Ca 0.02 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.61 2roa n ASP 20 Cb 0.26 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.36 0.03 0.03 -0.67 5.02 -1.13 0.24 118.16 124.04 2roa n LYS 21 Ca 0.56 0.80 -0.05 0.00 -2.02 0.00 0.00 58.31 57.59 2roa n LYS 21 Cb 0.59 -2.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.06 2roa n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2roa h ASP 22 N 0.00 0.00 -0.01 4.39 3.32 -1.87 -3.48 116.42 118.78 2roa h ASP 22 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2roa h ASP 22 Cb 1.82 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.36 2roa h ASP 22 CO 0.00 0.87 -0.00 0.61 -1.72 0.00 0.00 179.24 178.99 2roa n GLY 23 N 1.43 0.47 0.24 2.75 0.00 0.67 -4.90 105.19 105.86 2roa n GLY 23 Ca -0.09 -0.17 0.17 0.00 0.00 0.00 0.00 46.02 45.93 2roa n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2roa h ASP 24 N 0.00 0.00 0.00 1.61 3.32 -1.93 -3.45 116.42 115.96 2roa h ASP 24 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2roa h ASP 24 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2roa h ASP 24 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2roa n GLY 25 N -0.37 1.28 2.98 2.75 0.00 -1.26 -5.04 105.19 105.53 2roa n GLY 25 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 0.49 5.15 0.73 0.00 1.01 -0.81 -4.94 121.20 122.84 2roa s ILE 27 Ca -0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 2roa s ILE 27 Cb -0.12 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.52 2roa s ILE 27 CO 0.01 -0.16 1.10 0.42 0.00 0.00 0.00 174.94 176.32 2roa s THR 28 N 2.04 3.27 0.26 2.92 -4.23 -1.26 -0.97 115.64 117.66 2roa s THR 28 Ca 0.12 0.41 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2roa s THR 28 Cb -0.17 -3.35 0.24 0.00 1.34 0.00 0.00 72.50 70.56 2roa s THR 28 CO 0.12 -0.54 1.84 -0.37 -0.54 0.00 0.00 174.62 175.13 2roa h VAL 29 N -0.78 0.97 -0.70 2.29 -1.51 -1.95 0.42 116.25 114.98 2roa h VAL 29 Ca -0.45 -0.33 -0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2roa h VAL 29 Cb 1.26 -0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 30.33 2roa h VAL 29 CO 0.63 0.17 0.43 -0.33 -1.23 0.00 0.00 177.57 177.24 2roa h GLU 30 N 0.95 0.94 -0.34 5.19 5.08 -1.92 0.56 114.58 125.05 2roa h GLU 30 Ca 0.42 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2roa h GLU 30 Cb 0.32 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2roa h GLU 30 CO -0.22 0.66 -0.16 0.93 -1.00 0.00 0.00 179.01 179.21 2roa h GLU 31 N 0.95 0.71 -0.28 2.33 5.08 -1.52 -1.79 114.58 120.06 2roa h GLU 31 Ca 0.25 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2roa h GLU 31 Cb -0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2roa h GLU 31 CO -0.05 0.92 0.14 1.25 -1.00 0.00 0.00 179.01 180.27 2roa h LEU 32 N 0.49 0.36 -1.08 1.33 7.12 0.19 -1.49 115.31 122.24 2roa h LEU 32 Ca 0.08 -0.11 0.15 0.00 0.13 0.00 0.00 57.88 58.12 2roa h LEU 32 Cb 0.70 -0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.65 2roa h LEU 32 CO 0.05 0.37 0.62 0.00 -0.13 0.00 0.00 178.44 179.35 2roa h ALA 33 N 1.00 1.65 -0.54 1.25 0.00 0.25 0.27 119.26 123.15 2roa h ALA 33 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2roa h ALA 33 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2roa h ALA 33 CO -0.01 0.07 0.20 1.15 0.00 0.00 0.00 179.25 180.66 2roa h THR 34 N 0.86 1.22 -0.08 0.00 2.02 -0.55 0.97 112.91 117.36 2roa h THR 34 Ca 0.51 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2roa h THR 34 Cb 0.66 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2roa h THR 34 CO -0.28 0.27 0.01 0.58 0.37 0.00 0.00 175.52 176.47 2roa h VAL 35 N 0.74 1.22 -0.67 3.16 2.07 0.21 -0.42 116.25 122.55 2roa h VAL 35 Ca 0.18 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 2roa h VAL 35 Cb 0.22 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2roa h VAL 35 CO -0.01 0.19 0.16 0.40 0.02 0.00 0.00 177.57 178.33 2roa h ILE 36 N -0.11 1.26 -0.80 4.57 1.08 -0.49 0.20 117.51 123.22 2roa h ILE 36 Ca 0.02 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.55 2roa h ILE 36 Cb 0.29 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 2roa h ILE 36 CO 0.00 0.37 0.52 -0.09 -0.69 0.00 0.00 178.15 178.26 2roa h ARG 37 N 1.01 0.99 0.00 2.37 2.43 0.11 -1.44 114.38 119.85 2roa h ARG 37 Ca 0.21 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2roa h ARG 37 Cb 0.38 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2roa h ARG 37 CO 0.00 0.65 -0.10 0.77 -1.51 0.00 0.00 179.97 179.79 2roa h SER 38 N 1.02 0.00 -0.36 -3.80 0.02 -0.72 -3.32 113.55 106.39 2roa h SER 38 Ca 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 2roa h SER 38 Cb -0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2roa h SER 38 CO -0.10 0.10 0.12 0.25 -1.14 0.00 0.00 176.83 176.06 2roa h LEU 39 N 0.00 0.51 0.00 5.07 6.46 0.50 -3.46 115.31 124.39 2roa h LEU 39 Ca -0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2roa h LEU 39 Cb 1.05 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 2roa h LEU 39 CO 0.01 0.56 0.00 0.47 -0.62 0.00 0.00 178.44 178.87 2roa n ASP 40 N -4.66 0.00 -3.99 1.25 8.00 -1.12 -5.09 116.55 110.94 2roa n ASP 40 Ca -0.01 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.41 2roa n ASP 40 Cb 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.00 0.55 -0.47 -1.24 0.74 -1.14 -5.08 119.66 113.01 2roa s GLN 41 Ca 0.00 -0.88 0.05 0.00 0.05 0.00 0.00 55.36 54.57 2roa s GLN 41 Cb 0.00 0.20 0.18 0.00 1.10 0.00 0.00 33.01 34.50 2roa s GLN 41 CO 0.00 -0.12 0.41 0.09 -0.55 0.00 0.00 175.29 175.12 2roa n ASN 42 N 0.69 0.41 -4.75 6.67 3.02 -1.26 -2.98 115.26 117.05 2roa n ASN 42 Ca -0.18 -2.61 -0.33 0.00 -0.03 0.00 0.00 54.58 51.43 2roa n ASN 42 Cb 0.59 -0.61 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 2roa n ASN 42 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2roa s PRO 43 N -0.49 2.48 0.55 3.52 0.02 -1.26 -5.03 135.00 134.79 2roa s PRO 43 Ca 0.32 1.48 -0.07 0.00 0.02 0.00 0.00 61.00 62.75 2roa s PRO 43 Cb 0.05 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 2roa s PRO 43 CO -0.18 -1.51 0.88 0.95 -0.33 0.00 0.00 177.00 176.81 2roa s THR 44 N -2.30 4.49 0.30 0.99 -4.23 -1.26 -4.76 115.64 108.87 2roa s THR 44 Ca 0.68 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 61.48 2roa s THR 44 Cb -0.23 -3.75 0.43 0.00 1.34 0.00 0.00 72.50 70.30 2roa s THR 44 CO 0.44 -0.81 1.57 -0.08 -0.54 0.00 0.00 174.62 175.20 2roa h GLU 45 N -0.03 0.00 -0.24 3.99 4.81 -1.97 0.29 114.58 121.43 2roa h GLU 45 Ca -0.46 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 2roa h GLU 45 Cb 1.22 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2roa h GLU 45 CO 0.62 0.00 -0.48 0.93 -0.73 0.00 0.00 179.01 179.35 2roa h GLU 46 N 0.00 -0.45 -0.74 1.92 5.08 -1.98 1.75 114.58 120.16 2roa h GLU 46 Ca 0.56 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2roa h GLU 46 Cb 1.06 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 2roa h GLU 46 CO -0.96 -0.30 0.46 0.93 -1.00 0.00 0.00 179.01 178.14 2roa h GLU 47 N -0.47 1.00 -0.57 2.33 5.08 -0.90 0.27 114.58 121.32 2roa h GLU 47 Ca 0.08 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2roa h GLU 47 Cb 0.63 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2roa h GLU 47 CO -0.48 0.69 0.29 -0.07 -1.00 0.00 0.00 179.01 178.44 2roa h LEU 48 N 1.01 0.73 0.16 1.33 3.38 0.38 0.58 115.31 122.89 2roa h LEU 48 Ca 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2roa h LEU 48 Cb -0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2roa h LEU 48 CO -0.05 0.64 -0.08 -0.61 0.09 0.00 0.00 178.44 178.43 2roa h GLN 49 N 0.77 -0.21 -0.72 1.13 5.75 0.32 0.94 115.11 123.10 2roa h GLN 49 Ca 0.20 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 2roa h GLN 49 Cb 0.09 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2roa h GLN 49 CO -0.03 0.06 0.40 -0.44 -2.65 0.00 0.00 178.83 176.17 2roa h ASP 50 N -0.46 0.88 -0.03 -0.69 3.32 -0.33 1.69 116.42 120.80 2roa h ASP 50 Ca -0.02 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2roa h ASP 50 Cb 0.36 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2roa h ASP 50 CO 0.04 0.71 -0.09 0.24 -1.72 0.00 0.00 179.24 178.42 2roa h MET 51 N 1.00 0.11 -0.36 3.56 2.86 0.32 0.04 114.93 122.45 2roa h MET 51 Ca 0.25 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2roa h MET 51 Cb 0.02 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2roa h MET 51 CO -0.04 0.69 0.11 0.82 1.06 0.00 0.00 176.91 179.55 2roa h ILE 52 N -0.45 1.21 -0.56 -1.22 2.04 0.12 -2.78 117.51 115.88 2roa h ILE 52 Ca -0.00 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.19 2roa h ILE 52 Cb 0.70 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2roa h ILE 52 CO 0.02 0.24 0.34 0.77 0.00 0.00 0.00 178.15 179.52 2roa h SER 53 N 0.44 0.57 -1.11 1.72 4.64 0.25 1.29 113.55 121.34 2roa h SER 53 Ca 0.12 -0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.76 2roa h SER 53 Cb 0.25 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 2roa h SER 53 CO -0.00 0.40 0.99 -0.08 -0.87 0.00 0.00 176.83 177.27 2roa h GLU 54 N 0.68 0.00 0.00 4.77 4.81 -0.68 -1.75 114.58 122.42 2roa h GLU 54 Ca 0.22 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2roa h GLU 54 Cb -0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2roa h GLU 54 CO -0.09 0.00 -1.31 1.55 -0.73 0.00 0.00 179.01 178.44 2roa n VAL 55 N -3.71 0.31 -1.55 0.32 3.14 -0.45 -4.88 118.33 111.50 2roa n VAL 55 Ca 0.24 -0.18 -0.13 0.00 -2.96 0.00 0.00 64.34 61.31 2roa n VAL 55 Cb 1.34 -0.86 -0.10 0.00 -1.06 0.00 0.00 33.84 33.16 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 -2.21 1.37 -0.08 6.55 -0.08 0.43 -4.65 116.55 117.88 2roa n ASP 56 Ca -0.08 -2.02 0.04 0.00 -1.51 0.00 0.00 54.79 51.23 2roa n ASP 56 Cb 0.64 -1.65 0.38 0.00 2.34 0.00 0.00 41.12 42.83 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 12.02 1.67 0.00 -1.67 0.00 -1.87 -2.16 119.26 127.25 2roa h ALA 57 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2roa h ALA 57 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2roa h ALA 57 CO 1.01 0.28 -1.13 0.38 0.00 0.00 0.00 179.25 179.79 2roa h ASP 58 N 0.68 0.00 -5.25 0.00 2.03 -1.95 -3.49 116.42 108.44 2roa h ASP 58 Ca 0.21 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.36 2roa h ASP 58 Cb 0.01 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 38.63 2roa h ASP 58 CO -0.05 0.24 -0.53 0.61 -1.03 0.00 0.00 179.24 178.48 2roa n GLY 59 N 1.27 -1.07 0.00 7.15 0.00 -0.82 -4.96 105.19 106.76 2roa n GLY 59 Ca -0.04 0.49 0.06 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.64 1.53 0.00 1.61 0.23 -1.26 -4.99 115.26 109.73 2roa n ASN 60 Ca -0.04 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 2roa n ASN 60 Cb 0.57 1.40 0.00 0.00 -2.08 0.00 0.00 39.78 39.68 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 1.60 0.95 3.18 4.83 0.00 -1.26 -5.08 105.19 109.41 2roa n GLY 61 Ca -0.01 -0.06 -0.10 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 0.09 -0.13 2.61 -4.23 -1.26 -3.49 115.64 107.22 2roa s THR 62 Ca 0.00 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 2roa s THR 62 Cb 0.00 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.82 2roa s THR 62 CO 0.00 -0.42 -0.21 -0.63 -0.54 0.00 0.00 174.62 172.82 2roa s ILE 63 N -4.04 2.16 0.49 2.99 1.01 -0.14 -4.90 121.20 118.77 2roa s ILE 63 Ca 0.23 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2roa s ILE 63 Cb 0.07 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.72 2roa s ILE 63 CO 0.02 0.55 0.67 -1.61 0.00 0.00 0.00 174.94 174.56 2roa s GLU 64 N 0.72 2.57 0.14 2.79 0.41 -1.26 -1.93 118.70 122.14 2roa s GLU 64 Ca -0.09 -1.44 -0.20 0.00 -0.41 0.00 0.00 54.97 52.82 2roa s GLU 64 Cb -0.16 -2.69 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 2roa s GLU 64 CO 0.00 -0.55 1.68 0.35 -0.49 0.00 0.00 175.26 176.25 2roa h PHE 65 N 0.43 -0.26 -0.72 1.61 3.57 -1.98 1.40 116.94 121.00 2roa h PHE 65 Ca -0.35 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2roa h PHE 65 Cb 1.28 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 2roa h PHE 65 CO 0.43 -0.16 0.38 -0.44 -2.23 0.00 0.00 178.31 176.28 2roa h ASP 66 N -0.08 0.91 -0.22 0.41 3.32 -1.98 0.32 116.42 119.09 2roa h ASP 66 Ca 0.11 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2roa h ASP 66 Cb 0.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2roa h ASP 66 CO -0.26 0.76 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.65 2roa h GLU 67 N 0.99 0.41 -0.39 3.56 5.08 -1.72 0.39 114.58 122.89 2roa h GLU 67 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2roa h GLU 67 Cb 0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2roa h GLU 67 CO -0.04 0.63 0.20 0.35 -1.00 0.00 0.00 179.01 179.15 2roa h PHE 68 N 0.15 0.56 -0.62 4.33 3.57 0.21 0.79 116.94 125.93 2roa h PHE 68 Ca 0.06 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2roa h PHE 68 Cb 0.47 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2roa h PHE 68 CO 0.05 0.45 0.18 1.25 -2.23 0.00 0.00 178.31 178.01 2roa h LEU 69 N 0.50 0.92 -0.26 0.59 6.46 -0.33 -1.16 115.31 122.04 2roa h LEU 69 Ca 0.14 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 2roa h LEU 69 Cb 0.10 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 2roa h LEU 69 CO -0.02 0.89 0.09 -1.28 -0.62 0.00 0.00 178.44 177.51 2roa h SER 70 N 0.90 0.36 -0.88 1.25 0.87 -0.63 0.19 113.55 115.61 2roa h SER 70 Ca 0.20 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2roa h SER 70 Cb 0.31 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2roa h SER 70 CO -0.00 0.44 0.56 0.25 -0.53 0.00 0.00 176.83 177.55 2roa h LEU 71 N 0.26 1.04 0.06 2.23 5.85 -0.66 1.98 115.31 126.07 2roa h LEU 71 Ca 0.08 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2roa h LEU 71 Cb 0.20 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2roa h LEU 71 CO -0.01 0.77 -0.03 -0.03 -0.34 0.00 0.00 178.44 178.81 2roa h MET 72 N 1.20 -0.08 0.00 1.25 4.05 -1.01 -1.84 114.93 118.50 2roa h MET 72 Ca 0.32 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.68 2roa h MET 72 Cb -0.10 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 2roa h MET 72 CO -0.07 0.36 -0.32 0.00 0.23 0.00 0.00 176.91 177.11 2roa h ALA 73 N 0.33 1.42 -0.17 0.39 0.00 -0.41 0.43 119.26 121.25 2roa h ALA 73 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2roa h ALA 73 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2roa h ALA 73 CO 0.01 0.41 -0.29 -0.22 0.00 0.00 0.00 179.25 179.16 2roa h LYS 74 N 0.00 0.33 0.01 0.00 3.64 0.33 2.55 116.57 123.43 2roa h LYS 74 Ca -0.00 -0.13 -0.27 0.00 -1.27 0.00 0.00 60.65 58.98 2roa h LYS 74 Cb 0.59 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2roa h LYS 74 CO 0.04 0.60 -1.47 -0.22 -2.27 0.00 0.00 179.45 176.13 2roa h LYS 75 N 0.29 0.01 -0.43 1.90 3.64 -0.81 -3.32 116.57 117.86 2roa h LYS 75 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2roa h LYS 75 Cb 0.67 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2roa h LYS 75 CO 0.05 0.69 0.00 0.28 -2.27 0.00 0.00 179.45 178.20 2roa n VAL 76 N -3.17 1.87 0.14 2.00 0.31 0.10 -4.59 118.33 114.99 2roa n VAL 76 Ca -0.11 -1.41 0.04 0.00 -0.01 0.00 0.00 64.34 62.84 2roa n VAL 76 Cb 1.01 0.05 0.22 0.00 -0.91 0.00 0.00 33.84 34.21 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 0.34 0.06 0.21 5.55 4.81 0.86 -1.49 118.16 128.50 2roa n LYS 77 Ca 0.21 0.49 -0.16 0.00 -0.87 0.00 0.00 58.31 57.98 2roa n LYS 77 Cb 0.80 -2.09 -0.08 0.00 0.02 0.00 0.00 35.03 33.68 2roa n LYS 77 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2roa h ASP 78 N 0.00 -1.13 -0.03 3.14 3.32 -1.81 -3.50 116.42 116.41 2roa h ASP 78 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2roa h ASP 78 Cb 0.80 0.39 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2roa h ASP 78 CO 0.00 -0.54 0.00 0.35 -1.72 0.00 0.00 179.24 177.33