#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 5.11 0.52 2.03 -4.23 -1.16 -4.91 115.64 113.00 1r8p s THR 2 Ca 0.00 0.50 -0.21 0.00 -1.18 0.00 0.00 61.69 60.80 1r8p s THR 2 Cb 0.00 -3.81 -0.08 0.00 1.34 0.00 0.00 72.50 69.96 1r8p s THR 2 CO 0.00 0.02 0.94 -0.81 -0.54 0.00 0.00 174.62 174.23 1r8p n PRO 3 N 5.48 1.08 -3.54 3.99 -0.04 -1.26 -2.33 135.00 138.39 1r8p n PRO 3 Ca -0.07 0.40 -0.21 0.00 -0.04 0.00 0.00 63.50 63.58 1r8p n PRO 3 Cb 0.50 -2.07 -0.15 0.00 -0.04 0.00 0.00 33.50 31.74 1r8p n PRO 3 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1r8p s ILE 4 N -1.43 -0.23 0.24 0.52 -4.36 -1.07 -3.44 121.20 111.44 1r8p s ILE 4 Ca 0.69 -0.14 -0.04 0.00 -0.26 0.00 0.00 60.65 60.90 1r8p s ILE 4 Cb -0.48 -0.64 -0.05 0.00 1.25 0.00 0.00 42.46 42.54 1r8p s ILE 4 CO 0.52 -0.24 0.48 -0.69 0.24 0.00 0.00 174.94 175.26 1r8p s VAL 5 N 2.25 5.09 -0.11 8.37 1.01 -1.02 -3.41 120.40 132.59 1r8p s VAL 5 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1r8p s VAL 5 Cb -0.16 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1r8p s VAL 5 CO -0.11 -0.23 0.00 -1.00 0.00 0.00 0.00 175.10 173.77 1r8p s HIS 6 N -1.96 0.84 0.03 5.22 3.76 -1.23 -2.82 115.29 119.13 1r8p s HIS 6 Ca 0.42 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 54.96 1r8p s HIS 6 Cb -0.11 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.64 1r8p s HIS 6 CO 0.29 -0.43 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.13 1r8p s LEU 7 N 1.92 2.99 0.21 0.89 1.02 -1.18 -1.84 118.68 122.68 1r8p s LEU 7 Ca 0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 1r8p s LEU 7 Cb -0.14 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 1r8p s LEU 7 CO -0.06 0.26 0.23 -0.75 0.02 0.00 0.00 176.35 176.04 1r8p s LYS 8 N -1.54 1.29 0.00 1.70 2.20 -1.20 -3.15 119.74 119.04 1r8p s LYS 8 Ca 0.17 -1.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.27 1r8p s LYS 8 Cb -0.11 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1r8p s LYS 8 CO 0.08 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1r8p n GLY 9 N -0.30 0.30 3.68 5.54 0.00 -1.26 -3.36 105.19 109.79 1r8p n GLY 9 Ca 0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1r8p n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r8p s ASP 10 N -4.00 6.60 0.26 1.61 1.01 -1.26 -4.42 116.67 116.47 1r8p s ASP 10 Ca 0.00 2.45 -0.01 0.00 0.71 0.00 0.00 52.55 55.70 1r8p s ASP 10 Cb 0.00 -2.55 0.56 0.00 1.01 0.00 0.00 42.92 41.94 1r8p s ASP 10 CO 0.00 -0.91 1.71 0.00 0.21 0.00 0.00 175.17 176.18 1r8p h ALA 11 N 8.80 1.19 -0.17 5.23 0.00 -1.82 -1.04 119.26 131.43 1r8p h ALA 11 Ca -0.43 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1r8p h ALA 11 Cb 1.20 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1r8p h ALA 11 CO 0.94 -0.27 0.11 -0.91 0.00 0.00 0.00 179.25 179.11 1r8p h ASN 12 N 0.41 0.20 -0.17 0.00 2.35 -1.90 -1.94 115.58 114.54 1r8p h ASN 12 Ca 0.47 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.24 1r8p h ASN 12 Cb 0.80 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1r8p h ASN 12 CO -0.47 0.17 0.14 0.74 -1.65 0.00 0.00 177.43 176.36 1r8p h THR 13 N 0.22 0.74 -0.00 2.81 2.02 -1.59 -0.25 112.91 116.85 1r8p h THR 13 Ca 0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1r8p h THR 13 Cb -0.00 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1r8p h THR 13 CO -0.01 0.00 -0.28 -0.07 0.37 0.00 0.00 175.52 175.52 1r8p h LEU 14 N 0.00 0.00 -1.31 2.58 3.38 -0.72 -2.54 115.31 116.71 1r8p h LEU 14 Ca 0.08 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1r8p h LEU 14 Cb 0.36 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1r8p h LEU 14 CO -0.00 0.29 0.46 0.50 0.09 0.00 0.00 178.44 179.77 1r8p h LYS 15 N 0.00 0.92 -0.35 1.13 3.64 -0.99 -2.49 116.57 118.43 1r8p h LYS 15 Ca -0.00 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.16 1r8p h LYS 15 Cb 0.50 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1r8p h LYS 15 CO 0.04 0.61 -0.39 0.00 -2.27 0.00 0.00 179.45 177.44 1r8p h LEU 17 N 0.69 -0.29 -1.82 0.00 3.38 -1.42 -1.19 115.31 114.66 1r8p h LEU 17 Ca 0.05 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.30 1r8p h LEU 17 Cb 0.99 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1r8p h LEU 17 CO 0.10 -0.18 0.78 -0.09 0.09 0.00 0.00 178.44 179.14 1r8p h ARG 18 N -0.26 0.00 0.00 1.13 2.43 -1.51 0.74 114.38 116.90 1r8p h ARG 18 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1r8p h ARG 18 Cb 0.24 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1r8p h ARG 18 CO -0.02 0.00 -0.13 -0.92 -1.51 0.00 0.00 179.97 177.39 1r8p h TYR 19 N 0.00 0.00 0.00 2.20 5.03 -1.24 -2.00 116.97 120.97 1r8p h TYR 19 Ca 0.42 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.60 1r8p h TYR 19 Cb 1.98 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 40.24 1r8p h TYR 19 CO 0.00 0.13 -0.83 0.00 -1.32 0.00 0.00 178.16 176.14 1r8p h ARG 20 N 0.00 0.00 0.00 1.82 3.08 0.43 -3.26 114.38 116.45 1r8p h ARG 20 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1r8p h ARG 20 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1r8p h ARG 20 CO 0.02 0.44 -0.09 0.74 -1.07 0.00 0.00 179.97 180.01 1r8p h PHE 21 N 0.00 0.00 -0.21 3.04 0.04 -1.29 -2.81 116.94 115.70 1r8p h PHE 21 Ca -0.06 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1r8p h PHE 21 Cb 1.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.60 1r8p h PHE 21 CO 0.00 0.09 0.08 0.87 -0.60 0.00 0.00 178.31 178.75 1r8p h LYS 22 N 0.00 0.32 0.00 1.51 1.79 -1.59 -2.47 116.57 116.13 1r8p h LYS 22 Ca -0.00 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1r8p h LYS 22 Cb 0.39 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1r8p h LYS 22 CO 0.01 0.38 -0.02 0.87 -1.08 0.00 0.00 179.45 179.61 1r8p h LYS 23 N 0.19 0.00 -1.22 3.15 1.79 -1.72 -3.15 116.57 115.60 1r8p h LYS 23 Ca 0.07 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.02 1r8p h LYS 23 Cb 0.18 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.61 1r8p h LYS 23 CO -0.01 0.02 0.67 0.72 -1.08 0.00 0.00 179.45 179.78 1r8p n HIS 24 N -3.11 2.49 -0.19 -1.35 8.25 -0.94 -4.60 115.22 115.78 1r8p n HIS 24 Ca 0.02 -2.54 0.07 0.00 -0.26 0.00 0.00 57.72 55.02 1r8p n HIS 24 Cb 0.42 -1.23 0.37 0.00 1.12 0.00 0.00 29.99 30.67 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 -4.49 5.33 0.00 0.00 5.66 -1.26 -4.38 114.28 115.14 1r8p n THR 26 Ca 0.11 -5.54 0.00 0.00 -3.05 0.00 0.00 64.05 55.57 1r8p n THR 26 Cb 0.27 -2.01 0.00 0.00 -1.55 0.00 0.00 70.33 67.04 1r8p n THR 26 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1r8p n LEU 27 N 1.50 0.00 -4.87 1.09 4.77 -1.15 -5.13 117.00 113.21 1r8p n LEU 27 Ca 0.36 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.13 1r8p n LEU 27 Cb 0.31 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1r8p n LEU 27 CO 0.70 -0.20 -0.00 -0.72 -1.33 0.00 0.00 177.39 175.84 1r8p s TYR 28 N -1.40 2.67 -0.22 -1.77 -0.85 -1.26 -4.67 117.35 109.86 1r8p s TYR 28 Ca 0.00 -0.51 0.12 0.00 -0.52 0.00 0.00 57.07 56.16 1r8p s TYR 28 Cb 0.00 -2.16 -0.22 0.00 0.38 0.00 0.00 41.96 39.96 1r8p s TYR 28 CO 0.00 -0.13 -0.04 2.41 -1.52 0.00 0.00 175.55 176.27 1r8p n THR 29 N -1.55 1.40 -3.49 -3.49 -1.04 0.19 -4.89 114.28 101.41 1r8p n THR 29 Ca 0.03 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1r8p n THR 29 Cb 0.62 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 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 -2.49 -2.08 -0.08 2.41 0.00 -1.21 -5.01 121.76 113.29 1r8p s ALA 30 Ca -0.19 2.16 -0.20 0.00 0.00 0.00 0.00 51.96 53.73 1r8p s ALA 30 Cb 0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1r8p s ALA 30 CO 0.73 -1.05 0.55 0.54 0.00 0.00 0.00 175.76 176.53 1r8p s VAL 31 N 2.88 5.09 0.30 0.00 0.11 -1.26 -2.68 120.40 124.84 1r8p s VAL 31 Ca 0.03 1.13 -0.15 0.00 -2.93 0.00 0.00 61.98 60.05 1r8p s VAL 31 Cb -0.13 -3.89 -0.09 0.00 -1.53 0.00 0.00 36.38 30.74 1r8p s VAL 31 CO -0.19 0.33 0.72 -0.94 -3.33 0.00 0.00 175.10 171.70 1r8p s SER 32 N 0.45 6.80 0.94 3.54 1.04 -1.11 -5.04 113.70 120.32 1r8p s SER 32 Ca 0.30 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 1r8p s SER 32 Cb -0.16 -2.37 0.16 0.00 0.10 0.00 0.00 66.02 63.75 1r8p s SER 32 CO 0.14 -0.17 1.12 -0.55 0.98 0.00 0.00 173.24 174.76 1r8p s SER 33 N -2.19 2.72 0.10 7.02 0.15 -1.26 -4.54 113.70 115.69 1r8p s SER 33 Ca 0.52 2.05 -0.31 0.00 0.70 0.00 0.00 55.95 58.91 1r8p s SER 33 Cb -0.11 -2.52 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 1r8p s SER 33 CO 0.18 -3.21 1.46 -0.89 1.20 0.00 0.00 173.24 171.99 1r8p s THR 34 N -2.64 3.22 0.33 6.45 2.01 -1.26 -4.75 115.64 118.99 1r8p s THR 34 Ca 0.67 0.81 0.01 0.00 0.31 0.00 0.00 61.69 63.48 1r8p s THR 34 Cb -0.23 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1r8p s THR 34 CO 0.59 0.04 0.42 -2.67 -0.69 0.00 0.00 174.62 172.31 1r8p n TRP 35 N 4.46 -1.24 -3.81 4.92 4.27 0.39 -4.92 117.44 121.51 1r8p n TRP 35 Ca 0.13 -2.37 -0.06 0.00 -3.89 0.00 0.00 57.50 51.31 1r8p n TRP 35 Cb 0.42 0.47 -0.02 0.00 -1.36 0.00 0.00 31.31 30.81 1r8p n TRP 35 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1r8p s HIS 36 N -3.07 -0.17 -0.47 -2.67 2.46 -1.26 0.25 115.29 110.36 1r8p s HIS 36 Ca 0.31 -0.22 -0.29 0.00 0.47 0.00 0.00 55.06 55.33 1r8p s HIS 36 Cb -0.00 0.68 0.03 0.00 -0.13 0.00 0.00 32.58 33.15 1r8p s HIS 36 CO 0.22 -1.07 1.19 -1.58 -2.47 0.00 0.00 174.74 171.03 1r8p s TRP 37 N -3.67 2.73 0.00 3.88 0.52 -1.26 -5.00 118.94 116.15 1r8p s TRP 37 Ca 0.11 0.70 0.00 0.00 0.02 0.00 0.00 56.10 56.94 1r8p s TRP 37 Cb -0.04 -4.42 0.00 0.00 -1.15 0.00 0.00 33.47 27.85 1r8p s TRP 37 CO 0.05 -1.41 0.00 -2.37 0.02 0.00 0.00 176.95 173.24 1r8p n THR 38 N 6.90 0.00 0.00 2.01 5.66 -1.26 -5.08 114.28 122.52 1r8p n THR 38 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1r8p n THR 38 Cb 0.49 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 1r8p n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1r8p n GLY 39 N 3.99 4.59 0.49 1.09 0.00 -1.26 -4.91 105.19 109.17 1r8p n GLY 39 Ca 0.00 -1.02 0.31 0.00 0.00 0.00 0.00 46.02 45.31 1r8p n GLY 39 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1r8p h HIS 40 N 0.00 0.09 -3.76 1.61 2.76 -2.08 -3.38 115.15 110.40 1r8p h HIS 40 Ca 0.00 0.00 -0.68 0.00 -2.20 0.00 0.00 60.37 57.50 1r8p h HIS 40 Cb 0.00 -0.03 -0.24 0.00 1.55 0.00 0.00 27.41 28.69 1r8p h HIS 40 CO 0.00 0.01 -0.77 -0.80 -1.30 0.00 0.00 177.93 175.07 1r8p s ASN 41 N -5.37 4.04 0.00 3.26 0.02 -1.26 -5.12 114.94 110.51 1r8p s ASN 41 Ca -0.06 -0.24 0.00 0.00 -1.02 0.00 0.00 52.86 51.54 1r8p s ASN 41 Cb 0.23 -1.14 0.00 0.00 0.02 0.00 0.00 41.25 40.35 1r8p s ASN 41 CO 0.79 0.28 0.00 0.52 0.02 0.00 0.00 177.10 178.71 1r8p n VAL 42 N 2.76 0.00 0.00 1.60 0.31 -1.26 -5.04 118.33 116.70 1r8p n VAL 42 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1r8p n VAL 42 Cb 0.52 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1r8p n VAL 42 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1r8p n LYS 43 N -0.08 0.00 -1.83 5.55 4.81 -1.26 -5.17 118.16 120.18 1r8p n LYS 43 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1r8p n LYS 43 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1r8p n LYS 43 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1r8p n HIS 44 N -2.43 -0.44 -2.33 5.64 8.25 -1.26 -5.09 115.22 117.56 1r8p n HIS 44 Ca 0.00 -0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 1r8p n HIS 44 Cb 0.00 0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 1r8p n HIS 44 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1r8p s LYS 45 N -2.07 3.43 -0.13 -0.41 1.02 -1.26 -4.82 119.74 115.50 1r8p s LYS 45 Ca 0.02 0.78 0.15 0.00 0.02 0.00 0.00 55.97 56.94 1r8p s LYS 45 Cb -0.00 -4.08 0.35 0.00 -0.52 0.00 0.00 37.83 33.58 1r8p s LYS 45 CO 0.02 -1.76 1.17 0.43 -0.92 0.00 0.00 175.35 174.29 1r8p n SER 46 N 9.34 1.57 -3.45 2.83 7.64 -1.26 -3.39 113.62 126.90 1r8p n SER 46 Ca 0.16 -3.19 -0.34 0.00 1.01 0.00 0.00 58.87 56.51 1r8p n SER 46 Cb 0.49 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r8p n ALA 47 N -0.79 -2.64 -2.44 -0.43 0.00 -1.26 -4.67 120.51 108.28 1r8p n ALA 47 Ca 0.14 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.63 1r8p n ALA 47 Cb 0.77 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.25 0.17 0.34 0.00 1.01 0.70 -4.28 121.20 117.90 1r8p s ILE 48 Ca 0.48 -1.40 0.07 0.00 0.00 0.00 0.00 60.65 59.80 1r8p s ILE 48 Cb -0.55 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1r8p s ILE 48 CO 0.49 -0.78 0.27 0.54 0.00 0.00 0.00 174.94 175.47 1r8p s VAL 49 N -3.33 0.05 0.03 2.92 0.11 -1.19 -0.46 120.40 118.53 1r8p s VAL 49 Ca 0.01 -2.00 -0.08 0.00 -2.93 0.00 0.00 61.98 56.98 1r8p s VAL 49 Cb 0.03 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1r8p s VAL 49 CO -0.08 0.00 0.16 -0.89 -3.33 0.00 0.00 175.10 170.96 1r8p s THR 50 N -3.40 0.11 -0.05 5.04 2.01 -1.26 -3.07 115.64 115.02 1r8p s THR 50 Ca 0.39 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1r8p s THR 50 Cb 0.02 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1r8p s THR 50 CO 0.27 -0.49 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.90 1r8p s LEU 51 N -1.94 1.30 -0.20 4.42 1.43 -1.13 -2.75 118.68 119.81 1r8p s LEU 51 Ca -0.07 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 1r8p s LEU 51 Cb -0.02 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 1r8p s LEU 51 CO -0.03 -0.06 0.28 -0.89 0.23 0.00 0.00 176.35 175.88 1r8p s THR 52 N 0.98 5.30 0.05 5.49 2.01 -1.09 -2.42 115.64 125.95 1r8p s THR 52 Ca -0.10 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.39 1r8p s THR 52 Cb -0.14 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1r8p s THR 52 CO -0.00 0.34 0.04 -0.31 -0.69 0.00 0.00 174.62 173.99 1r8p s TYR 53 N 0.89 3.12 -1.40 4.92 1.51 -1.22 0.54 117.35 125.71 1r8p s TYR 53 Ca 0.14 0.07 0.17 0.00 -1.01 0.00 0.00 57.07 56.44 1r8p s TYR 53 Cb -0.13 -1.63 0.86 0.00 -0.11 0.00 0.00 41.96 40.95 1r8p s TYR 53 CO 0.05 0.50 1.51 -3.47 -1.11 0.00 0.00 175.55 173.03 1r8p n ASP 54 N 0.86 0.00 -3.69 2.29 -0.08 -1.26 -4.00 116.55 110.67 1r8p n ASP 54 Ca -0.11 0.07 0.02 0.00 -1.51 0.00 0.00 54.79 53.26 1r8p n ASP 54 Cb 0.52 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.68 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1r8p s SER 55 N -2.60 -0.03 0.00 1.67 1.04 -1.26 -4.97 113.70 107.55 1r8p s SER 55 Ca 0.16 -0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.20 1r8p s SER 55 Cb 0.12 0.16 -0.22 0.00 0.10 0.00 0.00 66.02 66.18 1r8p s SER 55 CO 0.27 -0.32 1.12 -0.33 0.98 0.00 0.00 173.24 174.96 1r8p h GLU 56 N 2.00 0.37 -0.31 4.02 5.08 -1.95 -3.10 114.58 120.69 1r8p h GLU 56 Ca -0.27 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 57.79 1r8p h GLU 56 Cb 1.20 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1r8p h GLU 56 CO 0.30 1.03 -0.08 2.35 -1.00 0.00 0.00 179.01 181.61 1r8p h TRP 57 N -0.14 -0.18 -0.98 4.33 2.91 -2.01 -1.32 115.95 118.56 1r8p h TRP 57 Ca -0.05 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.07 1r8p h TRP 57 Cb 1.17 0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 29.88 1r8p h TRP 57 CO 0.14 -0.14 0.63 0.37 -1.03 0.00 0.00 178.44 178.41 1r8p h GLN 58 N -0.01 1.09 -0.94 2.65 4.15 -1.95 -1.80 115.11 118.29 1r8p h GLN 58 Ca 0.15 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.53 1r8p h GLN 58 Cb 0.24 -0.24 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 1r8p h GLN 58 CO -0.33 0.72 0.62 -0.09 -1.93 0.00 0.00 178.83 177.82 1r8p h ARG 59 N 1.12 1.20 -0.88 1.69 2.43 -1.17 -2.32 114.38 116.44 1r8p h ARG 59 Ca 0.43 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1r8p h ARG 59 Cb 0.21 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1r8p h ARG 59 CO -0.17 0.79 0.49 0.38 -1.51 0.00 0.00 179.97 179.95 1r8p h ASP 60 N 1.23 1.09 -0.39 -3.80 3.04 -0.94 -2.80 116.42 113.86 1r8p h ASP 60 Ca 0.36 -0.09 -0.05 0.00 -3.24 0.00 0.00 57.03 54.01 1r8p h ASP 60 Cb -0.06 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 37.93 1r8p h ASP 60 CO -0.10 0.87 0.05 1.56 -2.04 0.00 0.00 179.24 179.58 1r8p h GLN 61 N 1.23 0.66 -0.85 4.15 4.20 -1.29 -2.92 115.11 120.29 1r8p h GLN 61 Ca 0.31 -0.18 0.09 0.00 0.06 0.00 0.00 58.65 58.93 1r8p h GLN 61 Cb 0.01 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.65 1r8p h GLN 61 CO -0.05 0.72 0.50 0.35 -0.67 0.00 0.00 178.83 179.68 1r8p h PHE 62 N 0.50 0.91 0.00 2.96 3.57 -1.22 0.29 116.94 123.95 1r8p h PHE 62 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1r8p h PHE 62 Cb 0.39 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1r8p h PHE 62 CO 0.03 0.38 0.01 1.28 -2.23 0.00 0.00 178.31 177.78 1r8p n LEU 63 N -4.71 0.37 0.00 0.59 4.77 -1.09 -0.71 117.00 116.21 1r8p n LEU 63 Ca 0.14 0.67 0.11 0.00 -0.03 0.00 0.00 56.01 56.90 1r8p n LEU 63 Cb 0.28 -0.71 -0.11 0.00 -2.33 0.00 0.00 43.42 40.54 1r8p n LEU 63 CO 0.27 -0.79 -0.32 -1.54 -1.33 0.00 0.00 177.39 173.68 1r8p n SER 64 N -2.00 0.53 0.01 -1.43 3.41 0.10 -4.18 113.62 110.06 1r8p n SER 64 Ca -0.01 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1r8p n SER 64 Cb 0.04 1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 1r8p n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r8p n GLN 65 N -1.89 0.17 -3.74 4.33 1.13 0.11 -4.78 117.38 112.71 1r8p n GLN 65 Ca 0.00 -0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.75 1r8p n GLN 65 Cb 0.45 -1.53 -0.16 0.00 0.11 0.00 0.00 30.24 29.10 1r8p n GLN 65 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1r8p s VAL 66 N -3.12 0.70 0.07 5.09 -7.23 -0.94 -5.09 120.40 109.88 1r8p s VAL 66 Ca 0.05 -0.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 1r8p s VAL 66 Cb 0.15 -1.35 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 1r8p s VAL 66 CO 0.83 -0.43 1.79 -0.75 -0.31 0.00 0.00 175.10 176.22 1r8p s LYS 67 N 1.74 4.16 -0.38 4.82 2.47 -1.26 -4.79 119.74 126.50 1r8p s LYS 67 Ca 0.04 2.48 -0.22 0.00 -1.56 0.00 0.00 55.97 56.71 1r8p s LYS 67 Cb -0.17 -3.74 0.01 0.00 -1.46 0.00 0.00 37.83 32.46 1r8p s LYS 67 CO -0.17 -0.83 0.73 0.42 0.16 0.00 0.00 175.35 175.66 1r8p s ILE 68 N 3.17 4.77 0.70 5.43 -1.09 -1.26 -5.02 121.20 127.89 1r8p s ILE 68 Ca 0.79 0.66 -0.16 0.00 -2.23 0.00 0.00 60.65 59.71 1r8p s ILE 68 Cb -0.42 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.27 1r8p s ILE 68 CO 0.35 -0.46 1.00 -0.81 -1.23 0.00 0.00 174.94 173.80 1r8p n PRO 69 N 6.34 0.62 0.05 2.79 -0.04 -1.26 -4.84 135.00 138.66 1r8p n PRO 69 Ca 0.01 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1r8p n PRO 69 Cb 0.48 -2.25 0.36 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.76 0.07 0.10 0.54 5.02 -1.26 -2.10 118.16 118.77 1r8p n LYS 70 Ca 0.13 0.35 0.02 0.00 -2.02 0.00 0.00 58.31 56.80 1r8p n LYS 70 Cb 0.49 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1r8p n LYS 70 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1r8p h THR 71 N 0.00 0.65 -3.54 -0.18 2.02 -1.95 -3.44 112.91 106.47 1r8p h THR 71 Ca 0.00 -2.03 -0.61 0.00 0.77 0.00 0.00 66.41 64.54 1r8p h THR 71 Cb 0.26 2.20 -0.12 0.00 -1.74 0.00 0.00 68.15 68.75 1r8p h THR 71 CO 0.00 0.37 -0.17 -0.63 0.37 0.00 0.00 175.52 175.46 1r8p s ILE 72 N -2.98 5.17 -0.05 3.11 1.01 -0.89 -4.65 121.20 121.92 1r8p s ILE 72 Ca 0.01 0.72 -0.14 0.00 0.00 0.00 0.00 60.65 61.25 1r8p s ILE 72 Cb 0.08 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1r8p s ILE 72 CO 0.77 0.20 0.36 -0.89 0.00 0.00 0.00 174.94 175.39 1r8p s THR 73 N 1.62 5.14 0.64 2.92 2.01 -1.21 -4.72 115.64 122.03 1r8p s THR 73 Ca 0.19 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.90 1r8p s THR 73 Cb -0.15 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.76 1r8p s THR 73 CO 0.09 0.54 0.89 -0.69 -0.69 0.00 0.00 174.62 174.76 1r8p s VAL 74 N -0.75 2.42 0.04 3.82 1.01 -1.26 -3.21 120.40 122.47 1r8p s VAL 74 Ca 0.22 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1r8p s VAL 74 Cb -0.15 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1r8p s VAL 74 CO 0.11 0.00 0.07 -0.44 0.00 0.00 0.00 175.10 174.83 1r8p s SER 75 N -4.55 0.23 -0.02 3.32 0.01 -0.77 -4.88 113.70 107.05 1r8p s SER 75 Ca 0.61 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 57.28 1r8p s SER 75 Cb -0.09 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1r8p s SER 75 CO 0.42 -0.51 -0.08 0.42 0.41 0.00 0.00 173.24 173.90 1r8p s THR 76 N -2.76 0.68 -0.00 1.44 -4.23 -1.26 -3.57 115.64 105.94 1r8p s THR 76 Ca -0.04 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1r8p s THR 76 Cb -0.00 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.25 1r8p s THR 76 CO -0.05 0.22 0.30 0.61 -0.54 0.00 0.00 174.62 175.15 1r8p n GLY 77 N 3.29 0.58 3.21 3.99 0.00 -1.22 -5.04 105.19 109.99 1r8p n GLY 77 Ca -0.18 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.97 -0.01 0.43 1.61 0.08 -1.26 -2.58 117.98 113.27 1r8p s PHE 78 Ca 0.07 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 56.97 1r8p s PHE 78 Cb -0.00 0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.43 1r8p s PHE 78 CO -0.00 -0.47 0.04 -1.64 -0.10 0.00 0.00 175.22 173.05 1r8p s MET 79 N -2.65 1.98 -0.18 0.44 -1.94 -0.99 -4.94 119.30 111.03 1r8p s MET 79 Ca -0.04 -2.20 -0.05 0.00 -1.71 0.00 0.00 55.69 51.69 1r8p s MET 79 Cb -0.01 -1.24 0.06 0.00 2.01 0.00 0.00 34.83 35.66 1r8p s MET 79 CO -0.04 -0.28 0.08 0.45 -0.01 0.00 0.00 175.02 175.22 1r8p s SER 80 N -3.71 2.53 0.00 3.03 0.15 -1.26 -2.97 113.70 111.47 1r8p s SER 80 Ca 0.22 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1r8p s SER 80 Cb 0.05 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1r8p s SER 80 CO 0.11 -0.35 0.00 -0.38 1.20 0.00 0.00 173.24 173.82