#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 3.64 0.72 2.03 2.01 -1.21 -4.86 115.64 117.96 1r8p s THR 2 Ca 0.00 0.88 -0.13 0.00 0.31 0.00 0.00 61.69 62.75 1r8p s THR 2 Cb 0.00 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1r8p s THR 2 CO 0.00 -0.05 1.11 -2.16 -0.69 0.00 0.00 174.62 172.82 1r8p s PRO 3 N 3.46 2.49 0.20 4.92 0.04 -1.26 -2.98 135.00 141.87 1r8p s PRO 3 Ca 0.69 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 1r8p s PRO 3 Cb -0.32 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1r8p s PRO 3 CO 0.27 -1.49 0.21 0.96 0.04 0.00 0.00 177.00 176.99 1r8p s ILE 4 N -2.56 0.02 -0.10 0.56 -4.36 -1.17 -2.83 121.20 110.75 1r8p s ILE 4 Ca 0.65 -1.82 -0.04 0.00 -0.26 0.00 0.00 60.65 59.17 1r8p s ILE 4 Cb -0.20 -2.34 0.05 0.00 1.25 0.00 0.00 42.46 41.23 1r8p s ILE 4 CO 0.48 -0.07 0.23 -0.69 0.24 0.00 0.00 174.94 175.12 1r8p s VAL 5 N -4.10 -0.18 -0.26 8.37 1.01 -1.14 -3.95 120.40 120.13 1r8p s VAL 5 Ca 0.32 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 1r8p s VAL 5 Cb 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 1r8p s VAL 5 CO 0.09 0.09 0.08 -1.00 0.00 0.00 0.00 175.10 174.36 1r8p s HIS 6 N 1.74 3.10 0.08 5.22 3.76 -1.23 -2.89 115.29 125.07 1r8p s HIS 6 Ca -0.04 -0.50 0.08 0.00 -0.15 0.00 0.00 55.06 54.45 1r8p s HIS 6 Cb -0.11 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 1r8p s HIS 6 CO -0.08 -0.39 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.72 1r8p s LEU 7 N 1.60 2.62 0.19 0.89 1.02 -1.08 -2.40 118.68 121.53 1r8p s LEU 7 Ca 0.06 -0.50 -0.03 0.00 0.02 0.00 0.00 54.13 53.67 1r8p s LEU 7 Cb -0.15 -1.51 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 1r8p s LEU 7 CO 0.04 0.22 0.18 -0.75 0.02 0.00 0.00 176.35 176.05 1r8p s LYS 8 N -1.76 1.18 0.00 1.70 2.20 -1.06 -2.66 119.74 119.34 1r8p s LYS 8 Ca 0.16 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1r8p s LYS 8 Cb -0.10 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1r8p s LYS 8 CO 0.07 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1r8p n GLY 9 N -0.24 -0.20 3.72 5.54 0.00 -1.26 -3.34 105.19 109.41 1r8p n GLY 9 Ca -0.01 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 6.62 0.31 1.61 2.15 -1.26 -4.37 116.67 117.73 1r8p s ASP 10 Ca 0.00 2.60 0.08 0.00 0.43 0.00 0.00 52.55 55.66 1r8p s ASP 10 Cb 0.00 -2.60 0.82 0.00 -0.30 0.00 0.00 42.92 40.84 1r8p s ASP 10 CO 0.00 -0.78 1.76 0.00 -0.17 0.00 0.00 175.17 175.97 1r8p h ALA 11 N 6.44 1.75 -0.19 3.66 0.00 -1.92 -0.99 119.26 128.01 1r8p h ALA 11 Ca -0.43 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1r8p h ALA 11 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1r8p h ALA 11 CO 0.88 -0.17 0.00 -0.91 0.00 0.00 0.00 179.25 179.06 1r8p h ASN 12 N 0.67 0.33 -0.15 0.00 4.21 -2.00 -2.68 115.58 115.97 1r8p h ASN 12 Ca 0.61 -0.30 0.04 0.00 1.21 0.00 0.00 56.30 57.86 1r8p h ASN 12 Cb 1.07 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1r8p h ASN 12 CO -0.42 0.55 0.13 0.74 -1.29 0.00 0.00 177.43 177.14 1r8p h THR 13 N 0.10 0.70 0.00 2.81 2.02 -1.57 -0.42 112.91 116.55 1r8p h THR 13 Ca 0.06 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 1r8p h THR 13 Cb 0.38 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1r8p h THR 13 CO 0.01 0.00 -0.66 -0.07 0.37 0.00 0.00 175.52 175.17 1r8p h LEU 14 N 0.00 0.00 -1.07 2.58 3.38 -1.10 -3.25 115.31 115.85 1r8p h LEU 14 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1r8p h LEU 14 Cb 0.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1r8p h LEU 14 CO -0.00 0.66 0.63 0.50 0.09 0.00 0.00 178.44 180.31 1r8p h LYS 15 N 0.00 1.21 -0.15 1.13 3.64 -0.78 -2.04 116.57 119.58 1r8p h LYS 15 Ca -0.01 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1r8p h LYS 15 Cb 1.39 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1r8p h LYS 15 CO 0.09 0.80 -0.48 0.00 -2.27 0.00 0.00 179.45 177.59 1r8p h LEU 17 N 0.32 -0.27 -1.81 0.00 4.07 -1.44 -1.75 115.31 114.42 1r8p h LEU 17 Ca 0.02 0.02 0.38 0.00 0.08 0.00 0.00 57.88 58.38 1r8p h LEU 17 Cb 0.96 0.09 -0.07 0.00 1.08 0.00 0.00 40.66 42.72 1r8p h LEU 17 CO 0.08 -0.17 0.92 -0.09 -1.08 0.00 0.00 178.44 178.10 1r8p h ARG 18 N -0.25 0.08 -0.21 1.13 2.43 -1.52 0.84 114.38 116.88 1r8p h ARG 18 Ca -0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1r8p h ARG 18 Cb 0.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1r8p h ARG 18 CO -0.01 0.05 -0.14 -0.92 -1.51 0.00 0.00 179.97 177.44 1r8p h TYR 19 N 0.08 0.37 -0.00 2.20 5.03 -1.41 -2.63 116.97 120.60 1r8p h TYR 19 Ca 0.66 -0.05 -0.16 0.00 2.58 0.00 0.00 58.73 61.76 1r8p h TYR 19 Cb 2.42 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 40.58 1r8p h TYR 19 CO -0.00 0.48 -0.74 0.00 -1.32 0.00 0.00 178.16 176.58 1r8p h ARG 20 N 0.32 0.02 0.00 1.82 3.08 0.69 -3.03 114.38 117.29 1r8p h ARG 20 Ca 0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1r8p h ARG 20 Cb 0.45 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1r8p h ARG 20 CO 0.03 0.75 -0.05 0.74 -1.07 0.00 0.00 179.97 180.37 1r8p h PHE 21 N 0.02 0.00 -0.52 3.04 0.04 -1.25 -2.70 116.94 115.57 1r8p h PHE 21 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1r8p h PHE 21 Cb 1.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.44 1r8p h PHE 21 CO 0.00 0.05 0.14 0.87 -0.60 0.00 0.00 178.31 178.77 1r8p h LYS 22 N 0.00 0.78 -0.05 1.51 1.79 -1.50 -2.20 116.57 116.91 1r8p h LYS 22 Ca -0.00 -0.15 -0.23 0.00 -2.18 0.00 0.00 60.65 58.09 1r8p h LYS 22 Cb 0.35 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1r8p h LYS 22 CO 0.01 0.70 -0.87 0.87 -1.08 0.00 0.00 179.45 179.07 1r8p h LYS 23 N 0.76 0.67 -1.16 3.15 1.79 -1.65 -3.23 116.57 116.90 1r8p h LYS 23 Ca 0.17 -0.66 -0.47 0.00 -2.18 0.00 0.00 60.65 57.51 1r8p h LYS 23 Cb 0.26 0.17 -0.22 0.00 -1.58 0.00 0.00 32.23 30.86 1r8p h LYS 23 CO -0.00 1.26 0.61 0.72 -1.08 0.00 0.00 179.45 180.95 1r8p n HIS 24 N -3.96 2.41 0.27 -1.35 8.25 -1.12 -4.56 115.22 115.16 1r8p n HIS 24 Ca -0.10 -2.19 0.16 0.00 -0.26 0.00 0.00 57.72 55.33 1r8p n HIS 24 Cb 0.80 -1.07 0.85 0.00 1.12 0.00 0.00 29.99 31.68 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 -2.68 0.00 1.14 0.00 -1.04 -1.26 -4.04 114.28 106.40 1r8p n THR 26 Ca -0.02 -0.28 0.12 0.00 -2.04 0.00 0.00 64.05 61.83 1r8p n THR 26 Cb 0.16 1.06 0.26 0.00 -1.82 0.00 0.00 70.33 69.99 1r8p n THR 26 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1r8p n LEU 27 N 0.17 1.09 0.00 -4.42 4.77 0.86 -4.95 117.00 114.52 1r8p n LEU 27 Ca 0.12 -0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 1r8p n LEU 27 Cb 0.46 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1r8p n LEU 27 CO 0.24 0.21 0.04 0.00 -1.33 0.00 0.00 177.39 176.55 1r8p n TYR 28 N -0.75 -1.00 -0.01 -1.77 0.18 -1.23 -4.74 117.16 107.84 1r8p n TYR 28 Ca 0.10 -2.14 -0.01 0.00 1.88 0.00 0.00 57.90 57.73 1r8p n TYR 28 Cb 0.36 0.36 -0.00 0.00 -0.38 0.00 0.00 39.34 39.68 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 -0.50 0.15 -3.59 -3.48 -1.04 -1.22 -4.95 114.28 99.65 1r8p n THR 29 Ca 0.03 0.47 -0.16 0.00 -2.04 0.00 0.00 64.05 62.35 1r8p n THR 29 Cb 0.50 -1.59 -0.07 0.00 -1.82 0.00 0.00 70.33 67.35 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 -2.98 -1.56 -0.39 2.41 0.00 -1.26 -5.05 121.76 112.92 1r8p s ALA 30 Ca -0.02 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 1r8p s ALA 30 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1r8p s ALA 30 CO 0.04 -0.34 0.64 0.54 0.00 0.00 0.00 175.76 176.64 1r8p s VAL 31 N -0.94 4.86 0.69 0.00 0.11 -1.26 -3.78 120.40 120.07 1r8p s VAL 31 Ca -0.09 0.37 -0.17 0.00 -2.93 0.00 0.00 61.98 59.16 1r8p s VAL 31 Cb -0.02 -4.13 -0.04 0.00 -1.53 0.00 0.00 36.38 30.66 1r8p s VAL 31 CO 0.07 -0.44 0.68 -1.54 -3.33 0.00 0.00 175.10 170.54 1r8p n SER 32 N 6.15 -0.56 -4.71 3.54 3.41 -0.79 -4.89 113.62 115.78 1r8p n SER 32 Ca -0.01 0.65 -0.34 0.00 -0.26 0.00 0.00 58.87 58.91 1r8p n SER 32 Cb 0.48 -1.27 0.11 0.00 -0.26 0.00 0.00 64.21 63.27 1r8p n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1r8p s SER 33 N -1.45 3.83 0.13 4.04 1.04 -1.26 -4.48 113.70 115.54 1r8p s SER 33 Ca 0.69 2.38 -0.31 0.00 0.48 0.00 0.00 55.95 59.19 1r8p s SER 33 Cb -0.37 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.08 1r8p s SER 33 CO 0.54 -2.51 1.45 -0.89 0.98 0.00 0.00 173.24 172.81 1r8p s THR 34 N -2.05 3.11 0.31 2.02 2.01 -1.26 -4.73 115.64 115.04 1r8p s THR 34 Ca 0.74 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 63.51 1r8p s THR 34 Cb -0.29 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1r8p s THR 34 CO 0.48 0.06 0.39 -1.66 -0.69 0.00 0.00 174.62 173.21 1r8p s TRP 35 N 1.18 1.09 0.31 4.92 1.48 -0.70 -4.94 118.94 122.28 1r8p s TRP 35 Ca 0.66 -1.28 -0.18 0.00 -1.06 0.00 0.00 56.10 54.24 1r8p s TRP 35 Cb -0.39 -0.21 0.06 0.00 -1.16 0.00 0.00 33.47 31.77 1r8p s TRP 35 CO 0.30 -1.00 0.86 -1.58 -4.06 0.00 0.00 176.95 171.47 1r8p s HIS 36 N -3.41 0.07 -0.12 1.66 2.46 -1.26 -0.09 115.29 114.60 1r8p s HIS 36 Ca 0.32 -0.64 -0.30 0.00 0.47 0.00 0.00 55.06 54.91 1r8p s HIS 36 Cb 0.01 0.79 -0.01 0.00 -0.13 0.00 0.00 32.58 33.23 1r8p s HIS 36 CO 0.19 -1.34 1.08 -1.58 -2.47 0.00 0.00 174.74 170.62 1r8p s TRP 37 N -2.42 3.35 -0.10 3.88 0.52 -1.26 -4.99 118.94 117.92 1r8p s TRP 37 Ca 0.17 1.43 -0.32 0.00 0.02 0.00 0.00 56.10 57.40 1r8p s TRP 37 Cb -0.04 -3.28 0.12 0.00 -1.15 0.00 0.00 33.47 29.11 1r8p s TRP 37 CO 0.09 -0.65 1.05 0.99 0.02 0.00 0.00 176.95 178.45 1r8p s THR 38 N 2.39 0.00 0.00 2.01 2.01 -1.26 -4.86 115.64 115.93 1r8p s THR 38 Ca 0.50 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1r8p s THR 38 Cb -0.20 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.31 1r8p s THR 38 CO 0.17 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1r8p n GLY 39 N -0.14 3.66 0.14 4.40 0.00 -1.26 -5.03 105.19 106.96 1r8p n GLY 39 Ca -0.04 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1r8p n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r8p n HIS 40 N 0.00 1.15 -3.21 1.61 -0.00 -1.26 -4.65 115.22 108.85 1r8p n HIS 40 Ca 0.00 0.24 -0.23 0.00 -0.00 0.00 0.00 57.72 57.73 1r8p n HIS 40 Cb 0.00 -1.15 -0.06 0.00 -0.00 0.00 0.00 29.99 28.78 1r8p n HIS 40 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1r8p n ASN 41 N -3.47 1.22 -4.60 0.26 4.05 -1.26 -5.10 115.26 106.36 1r8p n ASN 41 Ca -0.33 -2.96 -0.28 0.00 0.45 0.00 0.00 54.58 51.46 1r8p n ASN 41 Cb 1.04 -0.63 -0.10 0.00 1.23 0.00 0.00 39.78 41.31 1r8p n ASN 41 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1r8p s VAL 42 N -1.91 1.71 0.66 3.44 1.01 -1.26 -5.15 120.40 118.90 1r8p s VAL 42 Ca 0.38 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.39 1r8p s VAL 42 Cb 0.22 -2.83 0.11 0.00 0.00 0.00 0.00 36.38 33.88 1r8p s VAL 42 CO -0.09 0.00 0.91 -0.54 0.00 0.00 0.00 175.10 175.39 1r8p s LYS 43 N -3.76 1.92 -0.07 2.72 1.02 -1.26 -4.90 119.74 115.40 1r8p s LYS 43 Ca 0.31 -1.28 0.03 0.00 0.02 0.00 0.00 55.97 55.05 1r8p s LYS 43 Cb 0.08 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1r8p s LYS 43 CO 0.15 -1.22 -0.17 -1.58 -0.92 0.00 0.00 175.35 171.62 1r8p s HIS 44 N -2.96 2.67 0.00 3.18 5.65 -1.26 -4.86 115.29 117.70 1r8p s HIS 44 Ca 0.64 -0.42 0.00 0.00 0.25 0.00 0.00 55.06 55.53 1r8p s HIS 44 Cb -0.06 -1.68 0.00 0.00 -1.18 0.00 0.00 32.58 29.66 1r8p s HIS 44 CO 0.42 -0.02 0.00 1.17 -0.65 0.00 0.00 174.74 175.67 1r8p n LYS 45 N 2.79 0.00 -3.28 2.88 4.81 -1.26 -5.05 118.16 119.05 1r8p n LYS 45 Ca -0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.21 1r8p n LYS 45 Cb 0.52 -0.23 -0.05 0.00 0.02 0.00 0.00 35.03 35.29 1r8p n LYS 45 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1r8p s SER 46 N -4.32 -0.23 0.89 3.14 1.04 -1.26 -4.96 113.70 108.00 1r8p s SER 46 Ca 0.00 0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.44 1r8p s SER 46 Cb 0.00 1.42 -0.14 0.00 0.10 0.00 0.00 66.02 67.40 1r8p s SER 46 CO 0.00 -0.31 -0.61 0.00 0.98 0.00 0.00 173.24 173.30 1r8p n ALA 47 N 5.38 -4.87 -2.99 5.32 0.00 -1.26 -4.66 120.51 117.43 1r8p n ALA 47 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 1r8p n ALA 47 Cb 0.50 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 1r8p n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r8p s ILE 48 N -2.01 0.04 0.40 0.00 1.01 0.87 -4.11 121.20 117.40 1r8p s ILE 48 Ca 0.44 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.80 1r8p s ILE 48 Cb -0.25 -0.21 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 1r8p s ILE 48 CO 0.79 -0.20 0.08 -0.69 0.00 0.00 0.00 174.94 174.91 1r8p s VAL 49 N -0.63 2.23 0.02 2.92 1.01 -1.09 -1.72 120.40 123.14 1r8p s VAL 49 Ca -0.07 -1.87 -0.09 0.00 0.00 0.00 0.00 61.98 59.95 1r8p s VAL 49 Cb -0.04 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1r8p s VAL 49 CO 0.00 -0.04 0.18 -0.89 0.00 0.00 0.00 175.10 174.35 1r8p s THR 50 N -2.63 0.09 -0.04 3.92 2.01 -1.26 -2.62 115.64 115.11 1r8p s THR 50 Ca 0.38 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1r8p s THR 50 Cb 0.06 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.92 1r8p s THR 50 CO 0.20 -0.42 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.92 1r8p s LEU 51 N -1.70 1.22 -0.13 4.42 1.02 -1.14 -1.88 118.68 120.49 1r8p s LEU 51 Ca -0.10 -0.10 -0.12 0.00 0.02 0.00 0.00 54.13 53.84 1r8p s LEU 51 Cb -0.04 -0.39 -0.05 0.00 0.02 0.00 0.00 46.19 45.73 1r8p s LEU 51 CO -0.01 -0.08 0.25 -0.89 0.02 0.00 0.00 176.35 175.64 1r8p s THR 52 N 1.04 5.33 0.06 5.49 2.01 -1.25 -2.90 115.64 125.42 1r8p s THR 52 Ca -0.09 0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.41 1r8p s THR 52 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1r8p s THR 52 CO -0.01 0.49 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.02 1r8p s TYR 53 N -0.24 2.81 -2.12 4.92 1.51 -1.13 -3.38 117.35 119.72 1r8p s TYR 53 Ca 0.16 -0.10 0.26 0.00 -1.01 0.00 0.00 57.07 56.37 1r8p s TYR 53 Cb -0.13 -1.52 0.61 0.00 -0.11 0.00 0.00 41.96 40.81 1r8p s TYR 53 CO 0.05 0.40 1.48 -0.25 -1.11 0.00 0.00 175.55 176.11 1r8p n ASP 54 N 1.08 1.55 -3.65 2.29 8.00 -1.26 -3.99 116.55 120.56 1r8p n ASP 54 Ca -0.14 -1.28 -0.04 0.00 0.71 0.00 0.00 54.79 54.05 1r8p n ASP 54 Cb 0.52 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.73 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1r8p s SER 55 N -2.33 -0.88 0.30 -2.24 1.04 -1.26 -4.99 113.70 103.35 1r8p s SER 55 Ca 0.27 1.40 0.06 0.00 0.48 0.00 0.00 55.95 58.16 1r8p s SER 55 Cb 0.19 1.94 0.83 0.00 0.10 0.00 0.00 66.02 69.08 1r8p s SER 55 CO 0.46 -0.22 1.67 -0.33 0.98 0.00 0.00 173.24 175.80 1r8p h GLU 56 N 7.95 0.32 0.10 4.02 5.08 -1.93 -0.18 114.58 129.94 1r8p h GLU 56 Ca -0.19 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1r8p h GLU 56 Cb 1.11 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1r8p h GLU 56 CO 0.12 0.21 -0.34 2.35 -1.00 0.00 0.00 179.01 180.34 1r8p h TRP 57 N 0.33 -0.95 -0.20 4.33 -0.00 -2.01 -1.01 115.95 116.44 1r8p h TRP 57 Ca 0.61 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.55 1r8p h TRP 57 Cb 1.25 0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 30.80 1r8p h TRP 57 CO -0.14 -0.45 0.14 0.37 -0.00 0.00 0.00 178.44 178.36 1r8p h GLN 58 N -0.56 0.15 0.42 2.65 4.15 -1.43 -2.83 115.11 117.66 1r8p h GLN 58 Ca 0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1r8p h GLN 58 Cb 0.60 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 1r8p h GLN 58 CO -0.22 0.10 -0.23 -0.09 -1.93 0.00 0.00 178.83 176.47 1r8p h ARG 59 N 0.16 -0.58 -0.16 1.69 1.12 -0.26 -2.40 114.38 113.94 1r8p h ARG 59 Ca 0.09 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 1r8p h ARG 59 Cb 0.15 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.23 1r8p h ARG 59 CO -0.01 -0.39 0.05 0.22 -3.11 0.00 0.00 179.97 176.73 1r8p h ASP 60 N -0.60 0.20 -0.23 -3.80 3.58 -1.23 -2.75 116.42 111.58 1r8p h ASP 60 Ca -0.05 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1r8p h ASP 60 Cb 0.48 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1r8p h ASP 60 CO 0.07 0.19 0.02 1.56 -2.88 0.00 0.00 179.24 178.20 1r8p h GLN 61 N 0.22 0.39 0.17 0.28 4.20 -1.31 -1.94 115.11 117.12 1r8p h GLN 61 Ca 0.06 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1r8p h GLN 61 Cb 0.07 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1r8p h GLN 61 CO -0.01 0.55 -0.13 0.35 -0.67 0.00 0.00 178.83 178.93 1r8p h PHE 62 N 0.18 -0.35 0.00 2.96 3.57 -1.14 -0.69 116.94 121.47 1r8p h PHE 62 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1r8p h PHE 62 Cb 0.36 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1r8p h PHE 62 CO 0.03 -0.18 0.03 1.47 -2.23 0.00 0.00 178.31 177.42 1r8p n LEU 63 N -3.04 0.33 0.08 0.59 -0.00 -1.19 -0.78 117.00 113.00 1r8p n LEU 63 Ca -0.03 0.64 0.05 0.00 -0.00 0.00 0.00 56.01 56.67 1r8p n LEU 63 Cb 0.12 -0.68 -0.03 0.00 -0.00 0.00 0.00 43.42 42.83 1r8p n LEU 63 CO 0.08 -0.76 -0.05 -1.28 -0.00 0.00 0.00 177.39 175.38 1r8p h SER 64 N 0.00 0.00 0.02 1.45 0.87 -0.61 -3.39 113.55 111.89 1r8p h SER 64 Ca 0.00 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.16 1r8p h SER 64 Cb 0.05 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 1r8p h SER 64 CO 0.00 0.34 -2.32 0.00 -0.53 0.00 0.00 176.83 174.32 1r8p n GLN 65 N -2.86 0.64 -3.27 2.24 1.13 0.04 -4.74 117.38 110.56 1r8p n GLN 65 Ca -0.04 0.24 -0.46 0.00 -1.94 0.00 0.00 57.00 54.80 1r8p n GLN 65 Cb 0.71 -1.56 -0.03 0.00 0.11 0.00 0.00 30.24 29.48 1r8p n GLN 65 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1r8p s VAL 66 N -2.51 5.42 0.97 5.09 0.11 -0.11 -5.05 120.40 124.33 1r8p s VAL 66 Ca -0.34 -2.18 -0.16 0.00 -2.93 0.00 0.00 61.98 56.37 1r8p s VAL 66 Cb 0.10 -4.49 0.25 0.00 -1.53 0.00 0.00 36.38 30.71 1r8p s VAL 66 CO 0.59 -1.07 0.72 2.29 -3.33 0.00 0.00 175.10 174.29 1r8p n LYS 67 N 4.55 -3.28 -3.73 1.54 2.85 -1.26 -4.63 118.16 114.20 1r8p n LYS 67 Ca 0.11 -1.17 -0.14 0.00 -1.05 0.00 0.00 58.31 56.06 1r8p n LYS 67 Cb 0.46 -1.27 -0.08 0.00 -0.65 0.00 0.00 35.03 33.49 1r8p n LYS 67 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1r8p s ILE 68 N -2.14 0.05 0.76 0.58 1.01 -1.26 -5.11 121.20 115.09 1r8p s ILE 68 Ca 0.50 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 1r8p s ILE 68 Cb -0.07 -0.67 0.15 0.00 0.01 0.00 0.00 42.46 41.88 1r8p s ILE 68 CO 0.40 -0.22 0.33 -0.81 0.00 0.00 0.00 174.94 174.64 1r8p n PRO 69 N 1.23 -1.06 0.00 2.79 -0.04 -1.26 -4.88 135.00 131.78 1r8p n PRO 69 Ca -0.21 -0.56 0.12 0.00 -0.04 0.00 0.00 63.50 62.81 1r8p n PRO 69 Cb 0.56 -1.13 0.16 0.00 -0.04 0.00 0.00 33.50 33.05 1r8p n PRO 69 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1r8p n LYS 70 N -1.24 1.39 0.12 0.54 0.00 -1.26 -4.08 118.16 113.63 1r8p n LYS 70 Ca 0.05 -1.06 0.06 0.00 -0.00 0.00 0.00 58.31 57.36 1r8p n LYS 70 Cb 0.23 -1.48 0.02 0.00 -0.00 0.00 0.00 35.03 33.80 1r8p n LYS 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1r8p h THR 71 N 2.60 0.41 -3.32 0.58 1.35 -1.95 -3.42 112.91 109.16 1r8p h THR 71 Ca 0.00 -1.66 -0.69 0.00 -0.55 0.00 0.00 66.41 63.52 1r8p h THR 71 Cb 0.72 2.04 -0.18 0.00 -1.73 0.00 0.00 68.15 69.00 1r8p h THR 71 CO 0.00 0.24 0.01 -0.51 -0.25 0.00 0.00 175.52 175.00 1r8p s ILE 72 N -3.09 4.91 0.22 6.82 1.10 -1.26 -4.59 121.20 125.32 1r8p s ILE 72 Ca 0.02 -0.45 0.01 0.00 -0.51 0.00 0.00 60.65 59.71 1r8p s ILE 72 Cb 0.08 -4.25 -0.04 0.00 0.15 0.00 0.00 42.46 38.39 1r8p s ILE 72 CO 0.76 -0.74 0.40 -0.89 -2.11 0.00 0.00 174.94 172.36 1r8p s THR 73 N 2.54 5.21 -0.06 4.00 2.01 -1.21 -4.86 115.64 123.28 1r8p s THR 73 Ca 0.15 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 1r8p s THR 73 Cb -0.19 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1r8p s THR 73 CO 0.12 -0.25 0.14 0.54 -0.69 0.00 0.00 174.62 174.49 1r8p s VAL 74 N -1.94 -0.01 0.55 3.82 0.11 -1.26 -2.58 120.40 119.09 1r8p s VAL 74 Ca 0.37 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.54 1r8p s VAL 74 Cb -0.10 -0.21 0.08 0.00 -1.53 0.00 0.00 36.38 34.62 1r8p s VAL 74 CO 0.30 0.01 0.69 -0.24 -3.33 0.00 0.00 175.10 172.54 1r8p n SER 75 N 3.24 2.13 -4.27 3.54 2.88 -1.01 -4.94 113.62 115.19 1r8p n SER 75 Ca -0.15 -2.53 -0.19 0.00 -1.33 0.00 0.00 58.87 54.68 1r8p n SER 75 Cb 0.58 -0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 63.59 1r8p n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1r8p s THR 76 N -2.46 1.46 0.12 2.46 -4.23 -1.26 -3.52 115.64 108.21 1r8p s THR 76 Ca 0.53 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 59.01 1r8p s THR 76 Cb -0.04 -1.67 0.07 0.00 1.34 0.00 0.00 72.50 72.19 1r8p s THR 76 CO 0.33 -0.44 0.91 0.61 -0.54 0.00 0.00 174.62 175.50 1r8p n GLY 77 N 0.34 0.62 3.12 3.99 0.00 -1.25 -5.02 105.19 106.97 1r8p n GLY 77 Ca -0.14 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.61 -0.35 0.53 1.61 0.08 -1.26 -3.04 117.98 112.94 1r8p s PHE 78 Ca 0.21 0.83 0.01 0.00 0.12 0.00 0.00 56.93 58.09 1r8p s PHE 78 Cb -0.02 0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.53 1r8p s PHE 78 CO 0.04 -0.22 0.06 -1.33 -0.10 0.00 0.00 175.22 173.66 1r8p n MET 79 N 3.80 0.72 -3.56 0.44 2.81 -1.16 -5.00 117.12 115.18 1r8p n MET 79 Ca -0.21 -3.78 -0.22 0.00 -1.81 0.00 0.00 57.70 51.67 1r8p n MET 79 Cb 0.55 0.94 -0.15 0.00 -0.71 0.00 0.00 33.22 33.84 1r8p n MET 79 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1r8p s SER 80 N -3.94 1.88 0.00 7.83 1.04 -1.26 -3.36 113.70 115.89 1r8p s SER 80 Ca 0.04 -0.42 0.29 0.00 0.48 0.00 0.00 55.95 56.34 1r8p s SER 80 Cb -0.00 0.05 1.16 0.00 0.10 0.00 0.00 66.02 67.33 1r8p s SER 80 CO 0.03 -0.34 1.81 0.00 0.98 0.00 0.00 173.24 175.72