#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8p s THR 2 N 0.00 5.04 0.67 2.03 -1.32 -1.21 -4.92 115.64 115.92 1r8p s THR 2 Ca 0.00 1.26 -0.17 0.00 -1.21 0.00 0.00 61.69 61.58 1r8p s THR 2 Cb 0.00 -3.97 0.01 0.00 -1.51 0.00 0.00 72.50 67.03 1r8p s THR 2 CO 0.00 0.17 1.21 -2.16 -2.21 0.00 0.00 174.62 171.63 1r8p s PRO 3 N 1.49 2.50 0.13 7.08 0.04 -1.23 -2.77 135.00 142.23 1r8p s PRO 3 Ca 0.31 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 1r8p s PRO 3 Cb -0.16 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1r8p s PRO 3 CO 0.12 -1.57 0.16 0.96 0.04 0.00 0.00 177.00 176.72 1r8p s ILE 4 N -1.80 0.10 -0.09 0.56 -4.36 -1.18 -2.09 121.20 112.35 1r8p s ILE 4 Ca 0.76 -1.58 -0.07 0.00 -0.26 0.00 0.00 60.65 59.50 1r8p s ILE 4 Cb -0.30 -1.81 0.03 0.00 1.25 0.00 0.00 42.46 41.63 1r8p s ILE 4 CO 0.40 -0.47 0.22 -0.69 0.24 0.00 0.00 174.94 174.65 1r8p s VAL 5 N -3.98 -0.01 -0.16 8.37 1.01 -1.06 -3.45 120.40 121.12 1r8p s VAL 5 Ca 0.17 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1r8p s VAL 5 Cb 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1r8p s VAL 5 CO -0.02 0.02 0.03 -1.00 0.00 0.00 0.00 175.10 174.13 1r8p s HIS 6 N 0.47 3.20 -0.02 5.22 3.76 -1.25 -2.10 115.29 124.57 1r8p s HIS 6 Ca -0.03 0.01 0.07 0.00 -0.15 0.00 0.00 55.06 54.96 1r8p s HIS 6 Cb -0.04 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 1r8p s HIS 6 CO -0.02 0.17 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.29 1r8p s LEU 7 N 0.18 2.04 0.22 0.89 1.02 -1.06 -2.86 118.68 119.10 1r8p s LEU 7 Ca 0.03 -0.41 -0.03 0.00 0.02 0.00 0.00 54.13 53.74 1r8p s LEU 7 Cb -0.13 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.87 1r8p s LEU 7 CO 0.01 0.28 0.21 -0.75 0.02 0.00 0.00 176.35 176.12 1r8p s LYS 8 N -0.50 1.32 0.00 1.70 2.20 -1.25 -1.63 119.74 121.57 1r8p s LYS 8 Ca 0.08 -1.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.10 1r8p s LYS 8 Cb -0.09 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1r8p s LYS 8 CO -0.01 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1r8p n GLY 9 N -0.32 -0.04 3.72 5.54 0.00 -1.26 -3.84 105.19 108.99 1r8p n GLY 9 Ca 0.02 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1r8p n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r8p s ASP 10 N -4.00 6.61 0.52 1.61 -1.08 -1.26 -4.74 116.67 114.34 1r8p s ASP 10 Ca 0.00 2.60 0.31 0.00 -0.52 0.00 0.00 52.55 54.94 1r8p s ASP 10 Cb 0.00 -2.60 1.45 0.00 -1.46 0.00 0.00 42.92 40.32 1r8p s ASP 10 CO 0.00 -0.80 1.85 0.00 0.52 0.00 0.00 175.17 176.75 1r8p h ALA 11 N 6.61 2.85 0.03 3.66 0.00 -1.89 -1.51 119.26 129.00 1r8p h ALA 11 Ca -0.43 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1r8p h ALA 11 Cb 1.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1r8p h ALA 11 CO 0.89 -1.14 -0.66 -0.97 0.00 0.00 0.00 179.25 177.38 1r8p h ASN 12 N 0.05 0.11 0.00 0.00 -0.73 -1.96 -3.30 115.58 109.76 1r8p h ASN 12 Ca 0.48 -0.84 0.00 0.00 1.87 0.00 0.00 56.30 57.81 1r8p h ASN 12 Cb 1.82 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 40.38 1r8p h ASN 12 CO -0.04 1.28 0.08 0.41 -0.37 0.00 0.00 177.43 178.79 1r8p n THR 13 N -4.40 0.90 0.06 -3.57 -1.04 -0.66 -0.99 114.28 104.58 1r8p n THR 13 Ca -0.19 0.75 -0.11 0.00 -2.04 0.00 0.00 64.05 62.46 1r8p n THR 13 Cb 0.64 -1.75 -0.13 0.00 -1.82 0.00 0.00 70.33 67.27 1r8p n THR 13 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1r8p h LEU 14 N 0.00 0.18 -1.34 -4.42 3.38 -1.40 -3.28 115.31 108.43 1r8p h LEU 14 Ca 0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1r8p h LEU 14 Cb 0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1r8p h LEU 14 CO 0.00 1.18 0.46 0.50 0.09 0.00 0.00 178.44 180.67 1r8p h LYS 15 N 0.03 0.85 -0.17 1.13 3.64 -1.16 -1.60 116.57 119.29 1r8p h LYS 15 Ca -0.13 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 1r8p h LYS 15 Cb 1.91 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 1r8p h LYS 15 CO 0.15 0.56 -0.47 0.00 -2.27 0.00 0.00 179.45 177.42 1r8p h LEU 17 N 0.35 -0.13 -1.93 0.00 3.38 -1.35 -1.08 115.31 114.54 1r8p h LEU 17 Ca 0.02 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.40 1r8p h LEU 17 Cb 0.95 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 1r8p h LEU 17 CO 0.08 -0.07 0.96 -0.09 0.09 0.00 0.00 178.44 179.42 1r8p h ARG 18 N -0.08 0.03 -0.24 1.13 2.43 -1.48 0.28 114.38 116.45 1r8p h ARG 18 Ca 0.02 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1r8p h ARG 18 Cb 0.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1r8p h ARG 18 CO -0.05 0.02 0.04 -0.92 -1.51 0.00 0.00 179.97 177.55 1r8p h TYR 19 N 0.03 0.41 -0.42 2.20 5.03 -1.28 -2.82 116.97 120.12 1r8p h TYR 19 Ca 0.66 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.91 1r8p h TYR 19 Cb 2.56 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 40.70 1r8p h TYR 19 CO -0.00 0.51 0.26 0.00 -1.32 0.00 0.00 178.16 177.61 1r8p h ARG 20 N 0.20 0.56 0.00 1.82 2.47 -0.42 -0.90 114.38 118.11 1r8p h ARG 20 Ca 0.07 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1r8p h ARG 20 Cb 0.31 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1r8p h ARG 20 CO 0.00 0.39 -0.08 0.74 0.56 0.00 0.00 179.97 181.58 1r8p h PHE 21 N 0.58 0.00 0.00 3.04 0.04 -1.25 -2.50 116.94 116.85 1r8p h PHE 21 Ca 0.15 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 1r8p h PHE 21 Cb -0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1r8p h PHE 21 CO 0.00 0.08 -0.18 0.87 -0.60 0.00 0.00 178.31 178.48 1r8p h LYS 22 N 0.00 0.00 -0.02 1.51 1.79 -1.03 -2.13 116.57 116.69 1r8p h LYS 22 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1r8p h LYS 22 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1r8p h LYS 22 CO 0.01 0.18 -0.21 0.87 -1.08 0.00 0.00 179.45 179.22 1r8p h LYS 23 N 0.00 0.17 -1.34 3.15 1.79 -1.56 -3.26 116.57 115.52 1r8p h LYS 23 Ca -0.00 -0.16 -0.53 0.00 -2.18 0.00 0.00 60.65 57.78 1r8p h LYS 23 Cb 0.32 0.04 -0.22 0.00 -1.58 0.00 0.00 32.23 30.79 1r8p h LYS 23 CO 0.02 0.87 0.67 0.72 -1.08 0.00 0.00 179.45 180.65 1r8p n HIS 24 N -4.54 2.43 0.31 -1.35 8.25 -1.11 -4.59 115.22 114.61 1r8p n HIS 24 Ca -0.09 -2.49 0.18 0.00 -0.26 0.00 0.00 57.72 55.05 1r8p n HIS 24 Cb 0.47 -1.24 0.95 0.00 1.12 0.00 0.00 29.99 31.29 1r8p n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r8p n THR 26 N -2.85 0.55 1.09 0.00 -1.04 -1.26 -4.05 114.28 106.72 1r8p n THR 26 Ca -0.02 -0.71 0.12 0.00 -2.04 0.00 0.00 64.05 61.40 1r8p n THR 26 Cb 0.21 0.71 0.23 0.00 -1.82 0.00 0.00 70.33 69.66 1r8p n THR 26 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1r8p n LEU 27 N 1.25 0.89 0.00 -4.42 7.94 0.14 -4.95 117.00 117.85 1r8p n LEU 27 Ca 0.19 -0.23 -0.13 0.00 -1.11 0.00 0.00 56.01 54.74 1r8p n LEU 27 Cb 0.54 -0.15 -0.05 0.00 0.53 0.00 0.00 43.42 44.29 1r8p n LEU 27 CO 0.15 0.19 -0.03 0.00 -1.11 0.00 0.00 177.39 176.59 1r8p n TYR 28 N -1.05 -0.67 -0.06 1.96 0.18 -1.25 -4.80 117.16 111.47 1r8p n TYR 28 Ca 0.08 -1.89 -0.05 0.00 1.88 0.00 0.00 57.90 57.92 1r8p n TYR 28 Cb 0.35 0.24 -0.02 0.00 -0.38 0.00 0.00 39.34 39.53 1r8p n TYR 28 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1r8p n THR 29 N -0.43 1.04 -3.63 -3.48 -1.04 -0.95 -4.94 114.28 100.84 1r8p n THR 29 Ca 0.04 0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 62.18 1r8p n THR 29 Cb 0.42 -2.13 -0.07 0.00 -1.82 0.00 0.00 70.33 66.73 1r8p n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r8p s ALA 30 N -2.87 -1.52 -0.43 2.41 0.00 -1.26 -5.06 121.76 113.03 1r8p s ALA 30 Ca -0.15 1.48 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 1r8p s ALA 30 Cb 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1r8p s ALA 30 CO 0.23 -0.31 0.71 0.54 0.00 0.00 0.00 175.76 176.93 1r8p s VAL 31 N -0.27 4.75 0.49 0.00 0.11 -1.26 -3.40 120.40 120.82 1r8p s VAL 31 Ca -0.05 0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 59.13 1r8p s VAL 31 Cb -0.03 -4.24 -0.09 0.00 -1.53 0.00 0.00 36.38 30.49 1r8p s VAL 31 CO 0.04 -0.61 0.95 -1.54 -3.33 0.00 0.00 175.10 170.61 1r8p n SER 32 N 6.45 0.92 -4.66 3.54 3.41 -0.67 -4.91 113.62 117.70 1r8p n SER 32 Ca 0.00 0.94 -0.31 0.00 -0.26 0.00 0.00 58.87 59.24 1r8p n SER 32 Cb 0.48 -1.35 0.17 0.00 -0.26 0.00 0.00 64.21 63.25 1r8p n SER 32 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r8p s SER 33 N -0.93 2.81 -0.02 4.04 0.15 -1.26 -4.44 113.70 114.05 1r8p s SER 33 Ca 0.67 2.12 -0.30 0.00 0.70 0.00 0.00 55.95 59.14 1r8p s SER 33 Cb -0.50 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.21 1r8p s SER 33 CO 0.54 -3.16 1.58 -0.89 1.20 0.00 0.00 173.24 172.50 1r8p s THR 34 N -2.65 3.54 0.18 6.45 2.01 -1.26 -4.65 115.64 119.27 1r8p s THR 34 Ca 0.67 0.79 -0.08 0.00 0.31 0.00 0.00 61.69 63.37 1r8p s THR 34 Cb -0.23 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1r8p s THR 34 CO 0.58 -0.04 0.29 -1.66 -0.69 0.00 0.00 174.62 173.10 1r8p s TRP 35 N 3.39 0.50 0.12 4.92 1.48 -0.35 -4.90 118.94 124.11 1r8p s TRP 35 Ca 0.70 -0.85 -0.06 0.00 -1.06 0.00 0.00 56.10 54.83 1r8p s TRP 35 Cb -0.34 -0.09 0.02 0.00 -1.16 0.00 0.00 33.47 31.91 1r8p s TRP 35 CO 0.29 -0.75 0.31 1.58 -4.06 0.00 0.00 176.95 174.31 1r8p n HIS 36 N -0.25 -1.30 -2.53 1.66 -0.00 -1.26 -2.28 115.22 109.26 1r8p n HIS 36 Ca -0.05 -0.60 -0.41 0.00 0.46 0.00 0.00 57.72 57.12 1r8p n HIS 36 Cb 0.63 0.30 -0.03 0.00 -0.12 0.00 0.00 29.99 30.77 1r8p n HIS 36 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1r8p s TRP 37 N -5.98 2.34 -0.16 1.57 0.23 -1.26 -4.96 118.94 110.72 1r8p s TRP 37 Ca 0.06 0.11 -0.17 0.00 -2.03 0.00 0.00 56.10 54.07 1r8p s TRP 37 Cb -0.02 -4.58 0.05 0.00 0.03 0.00 0.00 33.47 28.95 1r8p s TRP 37 CO 0.04 -1.97 0.48 -0.08 0.96 0.00 0.00 176.95 176.38 1r8p s THR 38 N 5.67 0.00 0.29 2.01 -1.32 -1.26 -5.04 115.64 116.00 1r8p s THR 38 Ca 0.39 -0.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.87 1r8p s THR 38 Cb -0.08 -0.69 0.07 0.00 -1.51 0.00 0.00 72.50 70.29 1r8p s THR 38 CO 0.18 -0.02 1.73 1.23 -2.21 0.00 0.00 174.62 175.53 1r8p h GLY 39 N 5.17 0.48 0.00 6.08 0.00 -2.03 -3.45 103.07 109.32 1r8p h GLY 39 Ca -0.28 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1r8p h GLY 39 CO 0.22 0.36 0.00 -2.39 0.00 0.00 0.00 176.54 174.73 1r8p n HIS 40 N -4.12 0.00 -3.18 5.60 1.44 -1.26 -5.11 115.22 108.59 1r8p n HIS 40 Ca -0.01 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.75 1r8p n HIS 40 Cb 0.41 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 1r8p n HIS 40 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1r8p s ASN 41 N 0.00 -0.21 0.41 4.39 3.84 -1.26 -5.18 114.94 116.92 1r8p s ASN 41 Ca 0.00 0.18 0.03 0.00 0.21 0.00 0.00 52.86 53.28 1r8p s ASN 41 Cb 0.00 1.20 -0.01 0.00 -0.55 0.00 0.00 41.25 41.88 1r8p s ASN 41 CO 0.00 -0.04 0.11 1.33 -2.79 0.00 0.00 177.10 175.71 1r8p n VAL 42 N 5.23 0.00 -0.09 -5.21 0.24 -1.26 -5.08 118.33 112.15 1r8p n VAL 42 Ca -0.08 -2.29 -0.20 0.00 -2.04 0.00 0.00 64.34 59.74 1r8p n VAL 42 Cb 0.55 0.75 -0.12 0.00 -1.47 0.00 0.00 33.84 33.55 1r8p n VAL 42 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1r8p h LYS 43 N 0.00 0.01 -5.03 7.34 1.57 -2.03 -3.47 116.57 114.96 1r8p h LYS 43 Ca -0.32 -0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 57.88 1r8p h LYS 43 Cb 1.18 0.01 0.10 0.00 0.08 0.00 0.00 32.23 33.59 1r8p h LYS 43 CO 0.52 1.01 -0.49 0.72 -0.57 0.00 0.00 179.45 180.63 1r8p n HIS 44 N -4.46 -0.60 -0.68 -1.35 8.25 -1.26 -4.72 115.22 110.40 1r8p n HIS 44 Ca -0.25 0.77 -0.06 0.00 -0.26 0.00 0.00 57.72 57.92 1r8p n HIS 44 Cb 0.63 -1.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.10 1r8p n HIS 44 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1r8p n LYS 45 N 0.88 1.34 -1.66 -0.41 5.02 -1.26 -4.94 118.16 117.13 1r8p n LYS 45 Ca 0.14 -0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 55.52 1r8p n LYS 45 Cb 0.23 -1.30 -0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1r8p n LYS 45 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1r8p n SER 46 N 1.47 2.10 -3.34 4.39 3.41 -1.26 -4.49 113.62 115.91 1r8p n SER 46 Ca 0.14 1.15 0.02 0.00 -0.26 0.00 0.00 58.87 59.92 1r8p n SER 46 Cb 0.59 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r8p s ALA 47 N -1.14 -2.84 0.04 7.33 0.00 -1.26 -4.90 121.76 118.98 1r8p s ALA 47 Ca 0.59 1.93 -0.01 0.00 0.00 0.00 0.00 51.96 54.46 1r8p s ALA 47 Cb -0.58 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1r8p s ALA 47 CO 0.60 -1.06 -0.01 0.42 0.00 0.00 0.00 175.76 175.71 1r8p s ILE 48 N 2.53 0.17 -0.07 0.00 1.01 -0.97 -4.04 121.20 119.83 1r8p s ILE 48 Ca -0.01 -1.38 -0.02 0.00 0.00 0.00 0.00 60.65 59.24 1r8p s ILE 48 Cb -0.07 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.47 1r8p s ILE 48 CO -0.16 -0.76 0.05 -0.69 0.00 0.00 0.00 174.94 173.38 1r8p s VAL 49 N -2.83 0.03 0.31 2.92 1.01 -0.65 -1.21 120.40 119.99 1r8p s VAL 49 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1r8p s VAL 49 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1r8p s VAL 49 CO -0.06 0.13 0.53 -0.89 0.00 0.00 0.00 175.10 174.81 1r8p s THR 50 N 2.11 5.10 -0.02 3.92 2.01 -1.26 -2.58 115.64 124.92 1r8p s THR 50 Ca 0.04 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1r8p s THR 50 Cb -0.13 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.58 1r8p s THR 50 CO -0.04 -0.46 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.63 1r8p s LEU 51 N -4.02 1.59 -0.23 4.42 1.43 -0.89 -1.66 118.68 119.31 1r8p s LEU 51 Ca 0.40 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 1r8p s LEU 51 Cb -0.10 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 1r8p s LEU 51 CO 0.34 -0.01 0.32 0.42 0.23 0.00 0.00 176.35 177.64 1r8p s THR 52 N 0.48 5.24 0.02 5.49 -4.23 -1.22 -2.57 115.64 118.86 1r8p s THR 52 Ca -0.05 0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1r8p s THR 52 Cb -0.09 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1r8p s THR 52 CO -0.00 0.26 0.11 -0.31 -0.54 0.00 0.00 174.62 174.14 1r8p s TYR 53 N 1.41 3.34 -1.18 3.99 1.51 -0.89 -2.25 117.35 123.29 1r8p s TYR 53 Ca 0.15 0.22 0.28 0.00 -1.01 0.00 0.00 57.07 56.70 1r8p s TYR 53 Cb -0.15 -1.74 1.30 0.00 -0.11 0.00 0.00 41.96 41.26 1r8p s TYR 53 CO 0.07 0.57 1.93 -0.25 -1.11 0.00 0.00 175.55 176.77 1r8p n ASP 54 N 0.92 0.00 -3.64 2.29 9.92 -1.26 -3.56 116.55 121.22 1r8p n ASP 54 Ca -0.11 0.24 -0.04 0.00 -0.53 0.00 0.00 54.79 54.36 1r8p n ASP 54 Cb 0.52 -0.41 -0.07 0.00 -0.64 0.00 0.00 41.12 40.52 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1r8p s SER 55 N -2.82 -0.38 0.37 -2.24 1.04 -1.26 -4.88 113.70 103.52 1r8p s SER 55 Ca 0.19 0.66 0.14 0.00 0.48 0.00 0.00 55.95 57.42 1r8p s SER 55 Cb 0.19 0.96 0.97 0.00 0.10 0.00 0.00 66.02 68.24 1r8p s SER 55 CO 0.48 -0.11 1.78 -0.33 0.98 0.00 0.00 173.24 176.04 1r8p h GLU 56 N 5.06 0.51 0.32 4.02 5.08 -1.94 -1.32 114.58 126.30 1r8p h GLU 56 Ca -0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1r8p h GLU 56 Cb 1.18 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1r8p h GLU 56 CO 0.17 0.33 -0.47 2.35 -1.00 0.00 0.00 179.01 180.40 1r8p h TRP 57 N 0.52 -1.32 -0.13 4.33 2.91 -2.00 -0.77 115.95 119.49 1r8p h TRP 57 Ca 0.57 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.65 1r8p h TRP 57 Cb 1.25 0.53 -0.01 0.00 -0.51 0.00 0.00 29.16 30.43 1r8p h TRP 57 CO -0.00 -0.60 0.11 0.37 -1.03 0.00 0.00 178.44 177.28 1r8p h GLN 58 N -0.84 0.00 -0.18 2.65 4.15 -1.65 -2.47 115.11 116.77 1r8p h GLN 58 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.40 1r8p h GLN 58 Cb 0.78 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 1r8p h GLN 58 CO -0.15 0.00 0.10 -0.09 -1.93 0.00 0.00 178.83 176.76 1r8p h ARG 59 N 0.00 0.21 -0.35 1.69 2.43 -0.41 -2.40 114.38 115.55 1r8p h ARG 59 Ca 0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1r8p h ARG 59 Cb 0.27 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1r8p h ARG 59 CO -0.00 0.14 0.18 0.38 -1.51 0.00 0.00 179.97 179.16 1r8p h ASP 60 N 0.22 0.42 -0.16 -3.80 3.04 -1.07 -2.65 116.42 112.42 1r8p h ASP 60 Ca 0.07 -0.03 -0.02 0.00 -3.24 0.00 0.00 57.03 53.81 1r8p h ASP 60 Cb -0.00 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.17 1r8p h ASP 60 CO -0.03 0.35 0.01 1.56 -2.04 0.00 0.00 179.24 179.09 1r8p h GLN 61 N 0.48 0.27 0.28 4.15 4.20 -1.44 -1.09 115.11 121.96 1r8p h GLN 61 Ca 0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1r8p h GLN 61 Cb 0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1r8p h GLN 61 CO -0.02 0.47 -0.24 0.35 -0.67 0.00 0.00 178.83 178.71 1r8p h PHE 62 N 0.04 -0.67 0.00 2.96 3.04 -1.10 -0.82 116.94 120.38 1r8p h PHE 62 Ca 0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1r8p h PHE 62 Cb 0.34 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1r8p h PHE 62 CO 0.03 -0.33 0.03 1.37 -2.02 0.00 0.00 178.31 177.38 1r8p h LEU 63 N -0.52 0.00 0.00 0.59 8.10 -1.59 0.66 115.31 122.55 1r8p h LEU 63 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 1r8p h LEU 63 Cb 0.44 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1r8p h LEU 63 CO -0.01 0.00 -0.25 -1.28 -4.11 0.00 0.00 178.44 172.79 1r8p h SER 64 N 0.00 0.00 0.00 0.17 0.87 -0.24 -3.40 113.55 110.94 1r8p h SER 64 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1r8p h SER 64 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1r8p h SER 64 CO 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.37 1r8p n GLN 65 N -3.04 0.00 -1.59 2.24 1.13 0.19 -4.91 117.38 111.40 1r8p n GLN 65 Ca 0.03 0.08 -0.52 0.00 -1.94 0.00 0.00 57.00 54.65 1r8p n GLN 65 Cb 0.56 -0.46 -0.06 0.00 0.11 0.00 0.00 30.24 30.39 1r8p n GLN 65 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1r8p n VAL 66 N -2.05 0.04 -2.28 5.09 0.24 -1.02 -4.82 118.33 113.52 1r8p n VAL 66 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 1r8p n VAL 66 Cb 0.00 -0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 31.53 1r8p n VAL 66 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1r8p s LYS 67 N 0.45 3.42 -0.23 7.34 2.20 -1.26 -4.84 119.74 126.81 1r8p s LYS 67 Ca 0.84 0.91 -0.21 0.00 -0.36 0.00 0.00 55.97 57.15 1r8p s LYS 67 Cb -0.95 -4.10 -0.02 0.00 -1.51 0.00 0.00 37.83 31.25 1r8p s LYS 67 CO 0.47 -1.76 0.64 0.42 -0.36 0.00 0.00 175.35 174.76 1r8p s ILE 68 N 6.03 4.99 1.30 5.43 1.01 -1.26 -5.05 121.20 133.66 1r8p s ILE 68 Ca 0.63 1.18 -0.20 0.00 0.00 0.00 0.00 60.65 62.26 1r8p s ILE 68 Cb -0.15 -3.95 0.31 0.00 0.01 0.00 0.00 42.46 38.68 1r8p s ILE 68 CO 0.31 0.06 0.70 -0.81 0.00 0.00 0.00 174.94 175.19 1r8p n PRO 69 N 5.46 -3.87 0.02 2.79 -0.04 -1.26 -4.91 135.00 133.19 1r8p n PRO 69 Ca -0.01 -1.15 0.12 0.00 -0.04 0.00 0.00 63.50 62.42 1r8p n PRO 69 Cb 0.49 -1.77 0.12 0.00 -0.04 0.00 0.00 33.50 32.30 1r8p n PRO 69 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r8p n LYS 70 N -4.35 0.15 0.11 0.54 4.76 -1.26 -3.88 118.16 114.23 1r8p n LYS 70 Ca 0.10 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.68 1r8p n LYS 70 Cb 0.50 -1.56 0.21 0.00 -1.84 0.00 0.00 35.03 32.34 1r8p n LYS 70 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1r8p h THR 71 N 0.00 0.00 -3.65 -0.18 2.02 -1.95 -3.44 112.91 105.71 1r8p h THR 71 Ca 0.00 -0.67 -0.63 0.00 0.77 0.00 0.00 66.41 65.89 1r8p h THR 71 Cb 0.62 1.44 -0.14 0.00 -1.74 0.00 0.00 68.15 68.33 1r8p h THR 71 CO 0.00 0.00 -0.12 -0.63 0.37 0.00 0.00 175.52 175.14 1r8p s ILE 72 N -3.19 5.11 -0.03 3.11 1.09 -1.25 -4.60 121.20 121.44 1r8p s ILE 72 Ca 0.07 0.67 -0.13 0.00 -1.10 0.00 0.00 60.65 60.16 1r8p s ILE 72 Cb 0.11 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.67 1r8p s ILE 72 CO 0.69 0.08 0.36 -0.89 -0.10 0.00 0.00 174.94 175.08 1r8p s THR 73 N 2.21 5.12 0.61 2.92 2.01 -1.25 -4.85 115.64 122.41 1r8p s THR 73 Ca 0.18 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.89 1r8p s THR 73 Cb -0.16 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.75 1r8p s THR 73 CO 0.10 0.58 0.87 0.54 -0.69 0.00 0.00 174.62 176.02 1r8p s VAL 74 N -1.03 2.51 0.06 3.82 0.11 -1.26 -3.92 120.40 120.69 1r8p s VAL 74 Ca 0.22 -0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 58.68 1r8p s VAL 74 Cb -0.16 -2.97 -0.02 0.00 -1.53 0.00 0.00 36.38 31.70 1r8p s VAL 74 CO 0.11 0.00 0.09 -0.55 -3.33 0.00 0.00 175.10 171.43 1r8p s SER 75 N -4.48 0.26 -0.03 3.54 0.15 -1.14 -4.85 113.70 107.15 1r8p s SER 75 Ca 0.59 -0.74 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1r8p s SER 75 Cb -0.10 0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1r8p s SER 75 CO 0.41 -0.63 -0.07 0.42 1.20 0.00 0.00 173.24 174.56 1r8p s THR 76 N -3.60 0.66 0.00 6.45 -4.23 -1.26 -3.93 115.64 109.73 1r8p s THR 76 Ca 0.03 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1r8p s THR 76 Cb 0.05 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.27 1r8p s THR 76 CO -0.09 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1r8p n GLY 77 N 3.51 1.50 3.19 3.99 0.00 -1.22 -5.03 105.19 111.13 1r8p n GLY 77 Ca -0.20 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1r8p n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8p s PHE 78 N -5.64 -0.12 0.16 1.61 0.08 -1.26 -3.11 117.98 109.71 1r8p s PHE 78 Ca 0.00 0.17 0.09 0.00 0.12 0.00 0.00 56.93 57.31 1r8p s PHE 78 Cb 0.00 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.46 1r8p s PHE 78 CO 0.00 -0.34 -0.19 -1.64 -0.10 0.00 0.00 175.22 172.96 1r8p s MET 79 N -1.23 1.27 -0.28 0.44 -1.94 -1.12 -4.99 119.30 111.46 1r8p s MET 79 Ca -0.13 -1.38 -0.00 0.00 -1.71 0.00 0.00 55.69 52.46 1r8p s MET 79 Cb -0.06 -1.37 0.08 0.00 2.01 0.00 0.00 34.83 35.50 1r8p s MET 79 CO 0.03 0.28 0.05 -1.12 -0.01 0.00 0.00 175.02 174.26 1r8p s SER 80 N -2.57 3.84 0.00 3.03 0.01 -1.26 -3.33 113.70 113.43 1r8p s SER 80 Ca 0.15 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.97 1r8p s SER 80 Cb -0.06 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.23 1r8p s SER 80 CO 0.06 -0.36 0.00 2.30 0.41 0.00 0.00 173.24 175.66