#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opo h PRO 7 N 0.00 0.28 -0.24 -0.78 0.11 -2.05 0.33 132.00 129.65 2opo h PRO 7 Ca 0.00 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 2opo h PRO 7 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2opo h PRO 7 CO 0.00 0.19 -0.20 0.37 -0.21 0.00 0.00 178.00 178.15 2opo h GLN 8 N 0.29 0.43 -0.63 1.05 5.75 -2.05 -1.34 115.11 118.61 2opo h GLN 8 Ca 0.21 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.47 2opo h GLN 8 Cb 0.44 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2opo h GLN 8 CO -0.04 0.61 0.03 -0.44 -2.65 0.00 0.00 178.83 176.34 2opo h ASP 9 N 0.39 1.07 -0.08 -0.69 3.32 -1.47 -2.16 116.42 116.80 2opo h ASP 9 Ca 0.07 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 2opo h ASP 9 Cb 0.57 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2opo h ASP 9 CO 0.04 1.10 -0.01 0.40 -1.72 0.00 0.00 179.24 179.05 2opo h ILE 10 N 1.00 1.26 -0.41 0.35 1.08 -0.89 -2.85 117.51 117.06 2opo h ILE 10 Ca 0.18 -0.83 0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2opo h ILE 10 Cb 0.53 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 2opo h ILE 10 CO 0.03 0.23 0.25 0.00 -0.69 0.00 0.00 178.15 177.97 2opo h ALA 11 N 0.71 0.52 -0.29 1.87 0.00 -1.13 0.71 119.26 121.65 2opo h ALA 11 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2opo h ALA 11 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2opo h ALA 11 CO 0.01 -0.06 -0.31 -0.44 0.00 0.00 0.00 179.25 178.44 2opo h ASP 12 N 0.51 0.64 -0.01 0.00 5.19 -1.49 0.13 116.42 121.39 2opo h ASP 12 Ca 0.16 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 2opo h ASP 12 Cb -0.02 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.31 2opo h ASP 12 CO -0.06 0.91 -0.02 -0.09 -3.12 0.00 0.00 179.24 176.87 2opo h ARG 13 N 0.53 0.03 -0.83 3.56 2.43 -1.12 -0.25 114.38 118.73 2opo h ARG 13 Ca 0.06 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2opo h ARG 13 Cb 0.80 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 2opo h ARG 13 CO 0.07 0.56 0.55 0.93 -1.51 0.00 0.00 179.97 180.56 2opo h GLU 14 N -0.50 1.02 0.38 0.20 5.08 0.44 -1.01 114.58 120.19 2opo h GLU 14 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2opo h GLU 14 Cb 0.56 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2opo h GLU 14 CO 0.00 0.67 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.41 2opo h ARG 15 N 1.05 -0.49 -0.75 2.33 2.43 -0.79 -1.90 114.38 116.26 2opo h ARG 15 Ca 0.33 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.60 2opo h ARG 15 Cb 0.01 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 2opo h ARG 15 CO -0.09 -0.18 0.43 0.82 -1.51 0.00 0.00 179.97 179.44 2opo h ILE 16 N -0.90 0.98 -0.15 1.20 1.08 -1.00 -2.15 117.51 116.57 2opo h ILE 16 Ca -0.05 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2opo h ILE 16 Cb 0.54 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2opo h ILE 16 CO 0.09 0.14 0.03 0.15 -0.69 0.00 0.00 178.15 177.87 2opo h PHE 17 N 0.79 0.05 -0.23 1.37 3.57 -1.11 -1.39 116.94 119.99 2opo h PHE 17 Ca 0.34 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2opo h PHE 17 Cb 0.21 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2opo h PHE 17 CO -0.06 0.02 0.10 0.87 -2.23 0.00 0.00 178.31 177.01 2opo h LYS 18 N 0.09 0.31 0.20 1.11 1.57 -0.99 0.14 116.57 119.01 2opo h LYS 18 Ca 0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2opo h LYS 18 Cb 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2opo h LYS 18 CO -0.09 0.26 -0.10 0.00 -0.57 0.00 0.00 179.45 178.96 2opo h ARG 19 N 0.32 -0.26 -0.55 3.15 -0.00 -0.83 -3.14 114.38 113.08 2opo h ARG 19 Ca 0.08 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.56 2opo h ARG 19 Cb 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.06 2opo h ARG 19 CO -0.01 0.08 0.27 0.74 0.00 0.00 0.00 179.97 181.05 2opo h PHE 20 N -0.64 0.75 -1.27 3.04 -1.00 -0.62 -3.20 116.94 114.00 2opo h PHE 20 Ca -0.03 -0.02 -0.73 0.00 2.81 0.00 0.00 57.97 60.00 2opo h PHE 20 Cb 0.46 -0.24 -0.13 0.00 3.61 0.00 0.00 35.95 39.65 2opo h PHE 20 CO 0.04 0.55 2.08 -3.47 -1.61 0.00 0.00 178.31 175.89 2opo n ASP 21 N -4.37 4.88 0.27 2.17 2.03 0.44 -4.75 116.55 117.21 2opo n ASP 21 Ca 0.05 -3.00 0.11 0.00 0.52 0.00 0.00 54.79 52.47 2opo n ASP 21 Cb 0.12 -1.58 0.72 0.00 -0.72 0.00 0.00 41.12 39.67 2opo n ASP 21 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2opo h THR 22 N 4.29 0.77 -0.01 5.18 1.35 -1.73 -2.11 112.91 120.65 2opo h THR 22 Ca 0.41 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 2opo h THR 22 Cb 0.73 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2opo h THR 22 CO 1.55 0.07 -0.41 -0.46 -0.25 0.00 0.00 175.52 176.02 2opo n ASN 23 N -4.05 1.40 -0.54 5.36 0.23 -1.26 -4.97 115.26 111.43 2opo n ASN 23 Ca -0.03 -1.11 -0.07 0.00 -0.53 0.00 0.00 54.58 52.84 2opo n ASN 23 Cb 0.16 0.34 -0.03 0.00 -2.08 0.00 0.00 39.78 38.16 2opo n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2opo n GLY 24 N 1.39 0.91 0.10 4.83 0.00 -0.79 -4.89 105.19 106.74 2opo n GLY 24 Ca 0.10 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.66 2opo n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2opo n ASP 25 N 0.54 0.31 0.00 1.61 5.75 -1.26 -4.91 116.55 118.60 2opo n ASP 25 Ca -0.07 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 2opo n ASP 25 Cb 0.26 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2opo n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2opo n GLY 26 N 0.94 0.74 3.06 6.12 0.00 -1.26 -5.06 105.19 109.74 2opo n GLY 26 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2opo n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opo s LYS 27 N -0.52 0.54 -0.26 1.61 -2.85 -1.26 -5.15 119.74 111.85 2opo s LYS 27 Ca 0.00 -1.04 -0.07 0.00 -1.00 0.00 0.00 55.97 53.86 2opo s LYS 27 Cb 0.00 0.14 -0.01 0.00 -2.06 0.00 0.00 37.83 35.90 2opo s LYS 27 CO 0.00 -0.08 0.06 0.42 0.10 0.00 0.00 175.35 175.85 2opo s ILE 28 N -3.14 4.04 0.76 3.79 1.01 -1.26 -4.82 121.20 121.58 2opo s ILE 28 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2opo s ILE 28 Cb 0.02 -2.96 0.06 0.00 0.01 0.00 0.00 42.46 39.59 2opo s ILE 28 CO -0.07 0.25 1.12 -0.94 0.00 0.00 0.00 174.94 175.30 2opo s SER 29 N 1.55 4.79 0.17 3.58 1.04 -1.26 -4.88 113.70 118.69 2opo s SER 29 Ca 0.05 0.77 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 2opo s SER 29 Cb -0.16 -1.37 0.11 0.00 0.10 0.00 0.00 66.02 64.70 2opo s SER 29 CO 0.02 -1.70 1.71 -1.28 0.98 0.00 0.00 173.24 172.97 2opo h SER 30 N -0.84 -0.10 -0.51 7.02 0.87 -1.99 -1.00 113.55 116.99 2opo h SER 30 Ca -0.45 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2opo h SER 30 Cb 1.31 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.38 2opo h SER 30 CO 0.64 -0.02 0.31 -1.28 -0.53 0.00 0.00 176.83 175.95 2opo h SER 31 N 0.14 0.50 -0.63 6.23 0.87 -1.99 -0.10 113.55 118.57 2opo h SER 31 Ca 0.20 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 2opo h SER 31 Cb 0.27 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 2opo h SER 31 CO -0.30 0.36 0.37 -0.33 -0.53 0.00 0.00 176.83 176.39 2opo h GLU 32 N 0.62 0.69 -0.45 2.24 5.08 -1.77 0.01 114.58 120.99 2opo h GLU 32 Ca 0.20 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2opo h GLU 32 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2opo h GLU 32 CO -0.09 0.45 0.10 1.25 -1.00 0.00 0.00 179.01 179.73 2opo h LEU 33 N 0.71 0.70 -0.51 1.33 5.85 -0.65 0.09 115.31 122.82 2opo h LEU 33 Ca 0.27 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 2opo h LEU 33 Cb 0.10 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2opo h LEU 33 CO -0.14 0.75 -0.07 1.23 -0.34 0.00 0.00 178.44 179.88 2opo h GLY 34 N 0.61 1.03 1.00 3.75 0.00 -0.81 -1.61 103.07 107.04 2opo h GLY 34 Ca 0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2opo h GLY 34 CO 0.00 0.74 0.39 -0.55 0.00 0.00 0.00 176.54 177.12 2opo h ASP 35 N 0.82 0.81 0.16 0.19 3.32 -0.69 -1.12 116.42 119.91 2opo h ASP 35 Ca 0.14 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2opo h ASP 35 Cb 0.62 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2opo h ASP 35 CO 0.04 0.64 -0.08 0.00 -1.72 0.00 0.00 179.24 178.12 2opo h ALA 36 N 1.20 -0.22 -0.48 3.45 0.00 -0.80 -2.80 119.26 119.61 2opo h ALA 36 Ca 0.24 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2opo h ALA 36 Cb -0.01 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2opo h ALA 36 CO -0.04 -0.54 0.11 -0.07 0.00 0.00 0.00 179.25 178.71 2opo h LEU 37 N -0.38 0.04 -1.82 0.00 3.38 -1.12 -1.44 115.31 113.97 2opo h LEU 37 Ca -0.02 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2opo h LEU 37 Cb 0.29 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2opo h LEU 37 CO 0.04 0.05 0.26 0.11 0.09 0.00 0.00 178.44 178.99 2opo h LYS 38 N 0.25 0.22 0.00 1.13 1.57 -1.08 -2.38 116.57 116.28 2opo h LYS 38 Ca 0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2opo h LYS 38 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2opo h LYS 38 CO -0.30 0.14 0.00 0.25 -0.57 0.00 0.00 179.45 178.97 2opo n THR 39 N -4.47 0.00 0.03 -0.16 -2.24 -0.54 -1.84 114.28 105.05 2opo n THR 39 Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2opo n THR 39 Cb 0.29 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.03 2opo n THR 39 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2opo n LEU 40 N -0.56 0.36 0.16 3.22 4.77 -0.90 -3.58 117.00 120.49 2opo n LEU 40 Ca 0.01 0.14 0.18 0.00 -0.03 0.00 0.00 56.01 56.32 2opo n LEU 40 Cb 0.00 0.01 0.72 0.00 -2.33 0.00 0.00 43.42 41.82 2opo n LEU 40 CO 0.01 -0.03 1.16 1.23 -1.33 0.00 0.00 177.39 178.42 2opo h GLY 41 N 3.98 0.00 -5.28 -0.72 0.00 -1.59 -0.70 103.07 98.77 2opo h GLY 41 Ca -0.04 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.67 2opo h GLY 41 CO 0.00 0.00 -0.42 -1.14 0.00 0.00 0.00 176.54 174.99 2opo n SER 42 N -3.36 4.93 -4.70 0.19 3.41 -1.23 -5.05 113.62 107.81 2opo n SER 42 Ca 0.05 -3.70 -0.41 0.00 -0.26 0.00 0.00 58.87 54.55 2opo n SER 42 Cb 0.61 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2opo n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2opo s VAL 43 N -4.63 4.94 0.64 -3.33 0.11 -0.27 -5.01 120.40 112.84 2opo s VAL 43 Ca 0.48 1.70 -0.15 0.00 -2.93 0.00 0.00 61.98 61.08 2opo s VAL 43 Cb 0.29 -4.16 -0.01 0.00 -1.53 0.00 0.00 36.38 30.97 2opo s VAL 43 CO -0.15 0.15 1.08 0.42 -3.33 0.00 0.00 175.10 173.27 2opo s THR 44 N 1.32 3.57 0.29 5.04 -4.23 -1.26 -4.85 115.64 115.52 2opo s THR 44 Ca 0.42 0.70 0.03 0.00 -1.18 0.00 0.00 61.69 61.66 2opo s THR 44 Cb -0.18 -3.24 0.29 0.00 1.34 0.00 0.00 72.50 70.70 2opo s THR 44 CO 0.19 -0.48 1.83 -0.65 -0.54 0.00 0.00 174.62 174.97 2opo h PRO 45 N 0.09 0.91 -0.36 3.99 0.11 -2.00 -1.69 132.00 133.04 2opo h PRO 45 Ca -0.46 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 2opo h PRO 45 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2opo h PRO 45 CO 0.56 0.60 -0.39 -0.44 -0.21 0.00 0.00 178.00 178.12 2opo h ASP 46 N 0.93 0.92 -0.73 -2.05 3.32 -1.99 -2.25 116.42 114.57 2opo h ASP 46 Ca 0.51 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2opo h ASP 46 Cb 0.58 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2opo h ASP 46 CO -0.28 1.19 0.24 -0.33 -1.72 0.00 0.00 179.24 178.34 2opo h GLU 47 N 0.71 1.13 -0.42 3.56 5.08 -1.81 -1.80 114.58 121.03 2opo h GLU 47 Ca 0.06 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2opo h GLU 47 Cb 0.96 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2opo h GLU 47 CO 0.09 0.96 0.09 0.28 -1.00 0.00 0.00 179.01 179.42 2opo h VAL 48 N 1.08 1.24 -0.93 3.13 2.07 -1.18 -1.90 116.25 119.75 2opo h VAL 48 Ca 0.24 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 67.00 2opo h VAL 48 Cb 0.29 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 2opo h VAL 48 CO -0.01 0.29 0.60 -0.09 0.02 0.00 0.00 177.57 178.38 2opo h ARG 49 N 0.54 0.98 -0.31 1.57 2.43 -1.21 0.38 114.38 118.75 2opo h ARG 49 Ca 0.13 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2opo h ARG 49 Cb 0.34 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2opo h ARG 49 CO 0.00 0.65 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.86 2opo h ARG 50 N 1.01 0.66 -0.53 0.20 2.43 -0.95 -2.10 114.38 115.10 2opo h ARG 50 Ca 0.42 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2opo h ARG 50 Cb 0.30 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2opo h ARG 50 CO -0.18 0.89 -0.10 1.98 -1.51 0.00 0.00 179.97 181.05 2opo h MET 51 N 0.42 0.99 -0.48 0.20 4.05 -1.02 -2.76 114.93 116.33 2opo h MET 51 Ca 0.07 -0.36 0.05 0.00 -0.28 0.00 0.00 59.70 59.18 2opo h MET 51 Cb 0.70 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.38 2opo h MET 51 CO 0.05 1.04 0.21 1.98 0.23 0.00 0.00 176.91 180.41 2opo h MET 52 N 0.88 0.40 0.00 0.39 1.85 -0.80 -1.18 114.93 116.47 2opo h MET 52 Ca 0.14 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.17 2opo h MET 52 Cb 0.66 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.59 2opo h MET 52 CO 0.05 0.27 -0.15 0.00 -0.40 0.00 0.00 176.91 176.68 2opo h ALA 53 N 1.28 1.59 0.00 0.39 0.00 -1.24 0.22 119.26 121.50 2opo h ALA 53 Ca 0.22 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2opo h ALA 53 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2opo h ALA 53 CO -0.18 0.18 -0.50 0.93 0.00 0.00 0.00 179.25 179.69 2opo h GLU 54 N 0.00 0.00 0.00 0.00 5.08 -0.94 -3.37 114.58 115.36 2opo h GLU 54 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2opo h GLU 54 Cb 0.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2opo h GLU 54 CO 0.02 0.50 -1.97 -0.89 -1.00 0.00 0.00 179.01 175.66 2opo n ILE 55 N -3.50 0.97 -2.40 3.13 5.41 -0.91 -4.69 119.36 117.37 2opo n ILE 55 Ca 0.00 -0.48 -0.38 0.00 1.00 0.00 0.00 62.75 62.90 2opo n ILE 55 Cb 0.61 -0.89 -0.02 0.00 -0.71 0.00 0.00 39.64 38.62 2opo n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2opo s ASP 56 N -5.22 6.20 0.25 4.38 2.15 0.72 -4.79 116.67 120.36 2opo s ASP 56 Ca -0.16 -2.16 -0.04 0.00 0.43 0.00 0.00 52.55 50.61 2opo s ASP 56 Cb 0.05 -2.58 0.38 0.00 -0.30 0.00 0.00 42.92 40.47 2opo s ASP 56 CO 0.48 -1.84 1.83 0.74 -0.17 0.00 0.00 175.17 176.20 2opo h THR 57 N 5.80 0.96 -0.01 1.71 2.02 -1.84 -2.32 112.91 119.24 2opo h THR 57 Ca 0.37 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2opo h THR 57 Cb 0.90 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2opo h THR 57 CO 1.38 0.16 -0.24 -0.90 0.37 0.00 0.00 175.52 176.29 2opo n ASP 58 N -4.68 0.78 -1.96 4.18 5.75 -1.26 -4.95 116.55 114.40 2opo n ASP 58 Ca 0.13 -0.69 -0.16 0.00 -0.01 0.00 0.00 54.79 54.07 2opo n ASP 58 Cb 0.24 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2opo n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2opo n GLY 59 N 1.35 -0.28 0.45 6.12 0.00 -0.88 -4.89 105.19 107.06 2opo n GLY 59 Ca 0.12 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.10 2opo n GLY 59 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2opo n ASP 60 N -1.17 1.39 0.00 1.61 5.75 -1.26 -4.94 116.55 117.93 2opo n ASP 60 Ca -0.16 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 2opo n ASP 60 Cb 0.63 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2opo n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2opo n GLY 61 N 1.16 0.67 3.10 6.12 0.00 -1.26 -5.05 105.19 109.92 2opo n GLY 61 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2opo n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2opo s PHE 62 N -2.54 0.79 -0.31 1.61 0.08 -1.26 -5.12 117.98 111.24 2opo s PHE 62 Ca 0.00 -0.55 -0.16 0.00 0.12 0.00 0.00 56.93 56.34 2opo s PHE 62 Cb 0.00 -0.46 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2opo s PHE 62 CO 0.00 -0.07 0.42 0.42 -0.10 0.00 0.00 175.22 175.89 2opo s ILE 63 N -1.69 5.12 0.74 0.64 1.01 -1.26 -4.77 121.20 120.99 2opo s ILE 63 Ca -0.05 0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.84 2opo s ILE 63 Cb -0.08 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.60 2opo s ILE 63 CO 0.00 -0.03 1.11 -0.94 0.00 0.00 0.00 174.94 175.08 2opo s SER 64 N 1.70 5.17 0.30 3.58 1.04 -1.26 -4.88 113.70 119.34 2opo s SER 64 Ca 0.15 1.10 -0.01 0.00 0.48 0.00 0.00 55.95 57.67 2opo s SER 64 Cb -0.16 -1.84 0.46 0.00 0.10 0.00 0.00 66.02 64.58 2opo s SER 64 CO 0.11 -1.52 1.96 0.15 0.98 0.00 0.00 173.24 174.93 2opo h PHE 65 N -0.78 1.04 -0.64 5.02 3.57 -1.99 -0.89 116.94 122.27 2opo h PHE 65 Ca -0.45 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 2opo h PHE 65 Cb 1.27 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2opo h PHE 65 CO 0.47 0.63 0.27 -0.44 -2.23 0.00 0.00 178.31 177.01 2opo h ASP 66 N 1.10 0.88 -0.70 0.41 3.32 -1.98 0.16 116.42 119.61 2opo h ASP 66 Ca 0.32 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2opo h ASP 66 Cb -0.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 2opo h ASP 66 CO -0.08 0.80 0.24 -0.33 -1.72 0.00 0.00 179.24 178.15 2opo h GLU 67 N 0.90 1.08 -0.41 3.56 5.08 -1.79 0.47 114.58 123.47 2opo h GLU 67 Ca 0.22 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2opo h GLU 67 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2opo h GLU 67 CO -0.02 0.91 -0.01 0.35 -1.00 0.00 0.00 179.01 179.24 2opo h PHE 68 N 1.05 0.80 -0.29 4.33 3.57 -0.92 -1.96 116.94 123.53 2opo h PHE 68 Ca 0.23 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2opo h PHE 68 Cb 0.26 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2opo h PHE 68 CO 0.02 0.81 0.15 1.15 -2.23 0.00 0.00 178.31 178.20 2opo h THR 69 N 0.56 1.14 -0.83 4.41 2.02 -0.33 0.76 112.91 120.63 2opo h THR 69 Ca 0.12 -0.39 0.12 0.00 0.77 0.00 0.00 66.41 67.02 2opo h THR 69 Cb 0.49 0.87 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2opo h THR 69 CO 0.02 0.14 0.46 0.44 0.37 0.00 0.00 175.52 176.95 2opo h ASP 70 N 0.34 0.61 -0.36 4.18 3.32 -0.75 0.26 116.42 124.02 2opo h ASP 70 Ca 0.10 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 2opo h ASP 70 Cb 0.09 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2opo h ASP 70 CO -0.01 0.31 0.08 0.15 -1.72 0.00 0.00 179.24 178.05 2opo h PHE 71 N 0.72 0.62 -0.57 4.55 3.57 -0.82 -2.96 116.94 122.04 2opo h PHE 71 Ca 0.43 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.76 2opo h PHE 71 Cb 0.49 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2opo h PHE 71 CO -0.07 0.62 0.02 0.00 -2.23 0.00 0.00 178.31 176.64 2opo h ALA 72 N 0.92 0.77 -0.55 2.41 0.00 -0.01 -1.54 119.26 121.25 2opo h ALA 72 Ca 0.11 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2opo h ALA 72 Cb 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2opo h ALA 72 CO 0.00 0.59 0.37 0.00 0.00 0.00 0.00 179.25 180.21 2opo h ARG 73 N 0.89 0.56 0.00 0.00 3.08 -0.49 -1.91 114.38 116.52 2opo h ARG 73 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2opo h ARG 73 Cb 0.53 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2opo h ARG 73 CO 0.03 0.37 -0.29 0.00 -1.07 0.00 0.00 179.97 179.01 2opo h ALA 74 N 1.69 0.84 -2.08 0.04 0.00 -1.27 -3.38 119.26 115.10 2opo h ALA 74 Ca 0.23 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.60 2opo h ALA 74 Cb 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.57 2opo h ALA 74 CO -0.06 0.00 -0.98 0.09 0.00 0.00 0.00 179.25 178.30 2opo n ASN 75 N -2.66 1.71 -0.16 0.00 3.02 -0.63 -4.97 115.26 111.58 2opo n ASN 75 Ca 0.04 -3.09 0.12 0.00 -0.03 0.00 0.00 54.58 51.62 2opo n ASN 75 Cb 0.50 -0.63 0.46 0.00 -0.61 0.00 0.00 39.78 39.50 2opo n ASN 75 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2opo h ARG 76 N 3.52 0.50 -0.30 3.52 -0.00 -1.69 1.32 114.38 121.26 2opo h ARG 76 Ca 0.11 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 2opo h ARG 76 Cb 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.67 2opo h ARG 76 CO 0.60 0.33 0.00 0.41 0.00 0.00 0.00 179.97 181.31 2opo n GLY 77 N -1.49 0.36 0.00 0.04 0.00 -1.26 -3.03 105.19 99.80 2opo n GLY 77 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2opo n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2opo n LEU 78 N 0.13 0.14 -0.21 0.99 7.94 0.45 -4.25 117.00 122.19 2opo n LEU 78 Ca 0.00 0.27 -0.08 0.00 -1.11 0.00 0.00 56.01 55.09 2opo n LEU 78 Cb 0.07 -0.46 0.03 0.00 0.53 0.00 0.00 43.42 43.59 2opo n LEU 78 CO 0.00 -0.46 0.97 0.58 -1.11 0.00 0.00 177.39 177.37 2opo h VAL 79 N 0.00 1.23 -0.11 1.96 2.07 -1.70 0.99 116.25 120.70 2opo h VAL 79 Ca 0.00 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2opo h VAL 79 Cb 0.00 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2opo h VAL 79 CO 0.00 0.29 -0.01 0.11 0.02 0.00 0.00 177.57 177.98 2opo h LYS 80 N 0.84 0.02 0.07 1.57 1.57 -1.81 0.61 116.57 119.43 2opo h LYS 80 Ca 0.20 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2opo h LYS 80 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2opo h LYS 80 CO -0.01 0.02 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.41 2opo h ASP 81 N 0.02 -0.07 -0.29 0.86 3.32 -1.57 -3.04 116.42 115.65 2opo h ASP 81 Ca 0.05 -0.55 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 2opo h ASP 81 Cb 0.07 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2opo h ASP 81 CO -0.10 0.61 0.01 0.58 -1.72 0.00 0.00 179.24 178.62 2opo h VAL 82 N -0.87 1.25 -0.75 -1.35 2.07 0.96 -0.74 116.25 116.82 2opo h VAL 82 Ca -0.01 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2opo h VAL 82 Cb 0.62 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2opo h VAL 82 CO 0.01 0.29 0.31 0.77 0.02 0.00 0.00 177.57 178.98 2opo h SER 83 N 0.29 1.03 0.00 0.57 4.64 -1.01 -2.38 113.55 116.69 2opo h SER 83 Ca 0.08 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2opo h SER 83 Cb 0.42 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2opo h SER 83 CO 0.01 0.91 -0.03 0.11 -0.87 0.00 0.00 176.83 176.96 2opo h LYS 84 N 1.08 0.00 0.11 4.77 1.57 -1.48 -3.40 116.57 119.22 2opo h LYS 84 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2opo h LYS 84 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2opo h LYS 84 CO -0.02 0.64 -0.05 0.82 -0.57 0.00 0.00 179.45 180.27 2opo h ILE 85 N -1.00 1.06 -0.02 1.86 2.04 -1.22 -3.51 117.51 116.71 2opo h ILE 85 Ca -0.01 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.61 2opo h ILE 85 Cb 0.66 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2opo h ILE 85 CO -0.00 0.27 0.00 0.49 0.00 0.00 0.00 178.15 178.91