#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 1.06 -0.01 2.03 2.01 -1.01 -4.94 115.64 114.77 1r8p s THR 2 Ca 0.00 -1.35 -0.02 0.00 0.31 0.00 0.00 61.69 60.63 1r8p s THR 2 Cb 0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1r8p s THR 2 CO 0.00 -0.29 0.16 -2.16 -0.69 0.00 0.00 174.62 171.64 1r8p s PRO 3 N -1.90 3.35 0.18 4.92 0.04 -1.22 -2.22 135.00 138.16 1r8p s PRO 3 Ca -0.01 -0.35 -0.05 0.00 0.04 0.00 0.00 61.00 60.63 1r8p s PRO 3 Cb -0.09 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1r8p s PRO 3 CO 0.02 0.67 0.21 0.96 0.04 0.00 0.00 177.00 178.90 1r8p s ILE 4 N -1.29 0.04 -0.10 0.56 -4.36 -1.24 -0.22 121.20 114.60 1r8p s ILE 4 Ca 0.26 -1.73 -0.05 0.00 -0.26 0.00 0.00 60.65 58.87 1r8p s ILE 4 Cb -0.12 -2.18 0.04 0.00 1.25 0.00 0.00 42.46 41.45 1r8p s ILE 4 CO 0.17 -0.19 0.22 -0.69 0.24 0.00 0.00 174.94 174.70 1r8p s VAL 5 N -4.06 -0.04 -0.21 8.37 1.01 -0.41 -3.89 120.40 121.17 1r8p s VAL 5 Ca 0.27 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1r8p s VAL 5 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1r8p s VAL 5 CO 0.06 0.06 0.05 -1.00 0.00 0.00 0.00 175.10 174.27 1r8p s HIS 6 N 1.21 3.12 0.08 5.22 3.76 -1.25 -1.61 115.29 125.82 1r8p s HIS 6 Ca -0.09 -0.24 0.09 0.00 -0.15 0.00 0.00 55.06 54.67 1r8p s HIS 6 Cb -0.10 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 1r8p s HIS 6 CO -0.08 -0.13 -0.24 -0.48 -0.85 0.00 0.00 174.74 172.96 1r8p s LEU 7 N 0.97 2.23 0.09 0.89 0.05 -1.20 -2.97 118.68 118.73 1r8p s LEU 7 Ca 0.03 -0.63 -0.01 0.00 0.05 0.00 0.00 54.13 53.58 1r8p s LEU 7 Cb -0.14 -1.13 -0.04 0.00 -2.05 0.00 0.00 46.19 42.83 1r8p s LEU 7 CO 0.03 0.18 -0.00 -0.75 -0.55 0.00 0.00 176.35 175.26 1r8p s LYS 8 N -1.53 0.76 0.00 1.48 2.20 -1.25 -3.19 119.74 118.20 1r8p s LYS 8 Ca 0.10 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 1r8p s LYS 8 Cb -0.10 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1r8p s LYS 8 CO 0.03 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1r8p n GLY 9 N 0.01 -1.01 3.77 5.54 0.00 -1.26 -3.39 105.19 108.85 1r8p n GLY 9 Ca -0.11 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 6.59 0.18 1.61 1.01 -1.26 -4.82 116.67 115.98 1r8p s ASP 10 Ca 0.00 2.78 -0.15 0.00 0.71 0.00 0.00 52.55 55.89 1r8p s ASP 10 Cb 0.00 -2.65 0.15 0.00 1.01 0.00 0.00 42.92 41.43 1r8p s ASP 10 CO 0.00 -0.67 1.66 0.00 0.21 0.00 0.00 175.17 176.37 1r8p h ALA 11 N 3.18 0.34 -0.47 5.23 0.00 -1.95 -1.55 119.26 124.04 1r8p h ALA 11 Ca -0.50 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1r8p h ALA 11 Cb 1.23 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1r8p h ALA 11 CO 0.65 -0.44 0.12 -0.91 0.00 0.00 0.00 179.25 178.67 1r8p h ASN 12 N 0.01 0.71 -0.11 0.00 4.21 -2.00 -2.43 115.58 115.97 1r8p h ASN 12 Ca 0.24 -0.23 0.03 0.00 1.21 0.00 0.00 56.30 57.55 1r8p h ASN 12 Cb 0.36 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1r8p h ASN 12 CO -0.49 0.75 0.13 0.74 -1.29 0.00 0.00 177.43 177.27 1r8p h THR 13 N 0.63 0.43 0.02 2.81 2.02 -1.68 -0.27 112.91 116.87 1r8p h THR 13 Ca 0.15 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.11 1r8p h THR 13 Cb 0.32 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1r8p h THR 13 CO 0.00 0.00 -1.03 -0.07 0.37 0.00 0.00 175.52 174.79 1r8p h LEU 14 N 0.00 0.08 -0.83 2.58 3.38 -0.86 -3.23 115.31 116.43 1r8p h LEU 14 Ca 0.05 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1r8p h LEU 14 Cb 0.32 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1r8p h LEU 14 CO -0.00 1.06 0.54 0.11 0.09 0.00 0.00 178.44 180.24 1r8p h LYS 15 N 0.02 1.06 -0.29 1.13 1.79 -0.88 -2.45 116.57 116.94 1r8p h LYS 15 Ca -0.03 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.23 1r8p h LYS 15 Cb 1.79 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 1r8p h LYS 15 CO 0.14 0.70 -0.39 0.00 -1.08 0.00 0.00 179.45 178.82 1r8p h LEU 17 N 0.56 -0.32 -1.86 0.00 3.38 -1.47 -2.06 115.31 113.55 1r8p h LEU 17 Ca 0.05 0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.45 1r8p h LEU 17 Cb 0.92 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1r8p h LEU 17 CO 0.08 -0.20 1.00 -0.09 0.09 0.00 0.00 178.44 179.32 1r8p h ARG 18 N -0.31 0.05 -0.66 1.13 2.43 -1.50 0.51 114.38 116.04 1r8p h ARG 18 Ca -0.01 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1r8p h ARG 18 Cb 0.27 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1r8p h ARG 18 CO 0.00 0.03 0.14 -0.92 -1.51 0.00 0.00 179.97 177.72 1r8p h TYR 19 N 0.05 1.12 -0.34 2.20 3.20 -1.46 -2.39 116.97 119.35 1r8p h TYR 19 Ca 0.70 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 62.34 1r8p h TYR 19 Cb 2.65 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 40.59 1r8p h TYR 19 CO -0.00 0.93 -0.19 0.00 -1.64 0.00 0.00 178.16 177.27 1r8p h ARG 20 N 0.99 0.63 -0.32 1.82 3.08 -0.01 -2.81 114.38 117.75 1r8p h ARG 20 Ca 0.20 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1r8p h ARG 20 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1r8p h ARG 20 CO 0.01 0.78 -0.16 0.74 -1.07 0.00 0.00 179.97 180.26 1r8p h PHE 21 N 0.56 0.64 -0.75 3.04 -1.00 -1.21 -1.62 116.94 116.59 1r8p h PHE 21 Ca 0.09 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 1r8p h PHE 21 Cb 0.63 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.00 1r8p h PHE 21 CO 0.03 0.71 0.28 0.87 -1.61 0.00 0.00 178.31 178.59 1r8p h LYS 22 N 0.53 1.13 -0.04 1.51 1.79 -1.18 -1.69 116.57 118.62 1r8p h LYS 22 Ca 0.09 -0.21 -0.23 0.00 -2.18 0.00 0.00 60.65 58.11 1r8p h LYS 22 Cb 0.58 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1r8p h LYS 22 CO 0.04 0.93 -0.91 -0.22 -1.08 0.00 0.00 179.45 178.21 1r8p h LYS 23 N 1.09 0.58 -1.09 3.15 1.63 -1.42 -3.19 116.57 117.32 1r8p h LYS 23 Ca 0.25 -0.57 -0.45 0.00 -0.85 0.00 0.00 60.65 59.03 1r8p h LYS 23 Cb 0.24 0.15 -0.23 0.00 -0.60 0.00 0.00 32.23 31.78 1r8p h LYS 23 CO -0.02 1.19 0.57 0.72 -3.45 0.00 0.00 179.45 178.46 1r8p n HIS 24 N -3.83 2.42 -0.01 1.91 8.25 -0.63 -4.80 115.22 118.54 1r8p n HIS 24 Ca -0.08 -1.93 0.00 0.00 -0.26 0.00 0.00 57.72 55.45 1r8p n HIS 24 Cb 0.81 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 3.61 0.46 0.00 0.00 -2.24 -1.26 -4.88 114.28 109.97 1r8p n THR 26 Ca 0.00 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 1r8p n THR 26 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1r8p n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r8p n LEU 27 N -0.17 0.00 -4.67 3.22 4.77 -1.23 -5.12 117.00 113.80 1r8p n LEU 27 Ca -0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1r8p n LEU 27 Cb 0.94 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.95 1r8p n LEU 27 CO -0.02 0.00 -0.25 -0.72 -1.33 0.00 0.00 177.39 175.06 1r8p s TYR 28 N -0.17 2.58 -0.20 -1.77 1.13 -1.26 -4.68 117.35 112.97 1r8p s TYR 28 Ca 0.00 -0.49 0.14 0.00 -1.41 0.00 0.00 57.07 55.31 1r8p s TYR 28 Cb 0.00 -1.65 -0.22 0.00 -1.10 0.00 0.00 41.96 38.99 1r8p s TYR 28 CO 0.00 0.39 0.00 2.41 -2.51 0.00 0.00 175.55 175.84 1r8p n THR 29 N -1.05 1.35 -3.54 -3.49 -1.04 0.32 -4.87 114.28 101.96 1r8p n THR 29 Ca -0.03 -0.76 -0.00 0.00 -2.04 0.00 0.00 64.05 61.21 1r8p n THR 29 Cb 0.63 -0.69 -0.04 0.00 -1.82 0.00 0.00 70.33 68.41 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 -2.48 -2.03 -0.60 2.41 0.00 -1.15 -4.97 121.76 112.94 1r8p s ALA 30 Ca -0.15 2.18 -0.22 0.00 0.00 0.00 0.00 51.96 53.77 1r8p s ALA 30 Cb 0.06 -1.84 0.07 0.00 0.00 0.00 0.00 23.12 21.41 1r8p s ALA 30 CO 0.74 -1.01 0.86 0.08 0.00 0.00 0.00 175.76 176.43 1r8p s VAL 31 N 2.87 4.51 0.48 0.00 1.01 -1.26 -2.44 120.40 125.57 1r8p s VAL 31 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1r8p s VAL 31 Cb -0.13 -4.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.63 1r8p s VAL 31 CO -0.19 -1.22 1.17 -0.94 0.00 0.00 0.00 175.10 173.91 1r8p s SER 32 N 3.33 6.05 0.93 3.32 1.04 -1.04 -4.99 113.70 122.35 1r8p s SER 32 Ca 0.21 2.30 -0.10 0.00 0.48 0.00 0.00 55.95 58.83 1r8p s SER 32 Cb -0.18 -2.60 0.15 0.00 0.10 0.00 0.00 66.02 63.50 1r8p s SER 32 CO 0.12 -1.00 1.13 -0.94 0.98 0.00 0.00 173.24 173.53 1r8p s SER 33 N -1.42 2.82 0.34 7.02 1.04 -1.26 -4.33 113.70 117.92 1r8p s SER 33 Ca 0.66 2.08 -0.28 0.00 0.48 0.00 0.00 55.95 58.88 1r8p s SER 33 Cb -0.28 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.21 1r8p s SER 33 CO 0.34 -3.15 1.26 0.28 0.98 0.00 0.00 173.24 172.95 1r8p s THR 34 N -2.65 2.87 0.22 2.02 -1.32 -1.26 -4.59 115.64 110.92 1r8p s THR 34 Ca 0.66 0.85 0.00 0.00 -1.21 0.00 0.00 61.69 61.99 1r8p s THR 34 Cb -0.22 -3.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1r8p s THR 34 CO 0.59 0.18 0.29 -2.67 -2.21 0.00 0.00 174.62 170.79 1r8p n TRP 35 N 0.69 -0.97 -3.83 9.09 4.27 0.34 -4.78 117.44 122.26 1r8p n TRP 35 Ca 0.01 -1.55 -0.06 0.00 -3.89 0.00 0.00 57.50 52.01 1r8p n TRP 35 Cb 0.43 0.32 0.00 0.00 -1.36 0.00 0.00 31.31 30.70 1r8p n TRP 35 CO 0.00 0.00 0.00 -3.38 -2.29 0.00 0.00 177.69 172.02 1r8p s HIS 36 N -3.52 -0.03 -0.26 -2.67 -3.43 -1.26 0.27 115.29 104.39 1r8p s HIS 36 Ca 0.20 -0.46 -0.29 0.00 -0.80 0.00 0.00 55.06 53.71 1r8p s HIS 36 Cb -0.00 0.74 0.01 0.00 -1.43 0.00 0.00 32.58 31.90 1r8p s HIS 36 CO 0.14 -1.22 1.10 -1.58 -2.00 0.00 0.00 174.74 171.17 1r8p s TRP 37 N -2.98 3.17 -1.00 0.38 0.52 -1.26 -4.97 118.94 112.80 1r8p s TRP 37 Ca 0.14 1.28 -0.18 0.00 0.02 0.00 0.00 56.10 57.37 1r8p s TRP 37 Cb -0.04 -3.48 0.14 0.00 -1.15 0.00 0.00 33.47 28.93 1r8p s TRP 37 CO 0.07 -0.81 1.22 0.99 0.02 0.00 0.00 176.95 178.44 1r8p s THR 38 N 3.47 4.76 0.17 2.01 2.01 -1.26 -4.91 115.64 121.89 1r8p s THR 38 Ca 0.47 -1.80 0.04 0.00 0.31 0.00 0.00 61.69 60.70 1r8p s THR 38 Cb -0.15 -4.83 -0.05 0.00 0.01 0.00 0.00 72.50 67.49 1r8p s THR 38 CO 0.11 -1.56 -0.06 -0.83 -0.69 0.00 0.00 174.62 171.60 1r8p s GLY 39 N 3.50 1.19 0.07 4.40 0.00 -1.26 -5.07 107.32 110.16 1r8p s GLY 39 Ca 0.36 -1.57 -0.28 0.00 0.00 0.00 0.00 44.72 43.23 1r8p s GLY 39 CO -0.07 -1.59 1.44 0.84 0.00 0.00 0.00 173.10 173.72 1r8p h HIS 40 N 2.70 -1.17 -2.62 1.90 2.76 -2.06 -3.29 115.15 113.37 1r8p h HIS 40 Ca -0.37 0.02 -0.70 0.00 -2.20 0.00 0.00 60.37 57.12 1r8p h HIS 40 Cb 1.20 0.47 -0.19 0.00 1.55 0.00 0.00 27.41 30.45 1r8p h HIS 40 CO 0.61 -0.51 0.71 -0.80 -1.30 0.00 0.00 177.93 176.64 1r8p s ASN 41 N -4.04 6.63 0.00 3.26 0.02 -1.26 -4.63 114.94 114.92 1r8p s ASN 41 Ca -0.14 -2.09 0.00 0.00 -1.02 0.00 0.00 52.86 49.61 1r8p s ASN 41 Cb 0.04 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.94 1r8p s ASN 41 CO 0.48 -1.01 0.71 0.55 0.02 0.00 0.00 177.10 177.86 1r8p n VAL 42 N 5.29 0.00 0.26 1.60 3.14 -1.24 -4.86 118.33 122.52 1r8p n VAL 42 Ca 0.21 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.73 1r8p n VAL 42 Cb 0.49 0.45 0.77 0.00 -1.06 0.00 0.00 33.84 34.49 1r8p n VAL 42 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1r8p h LYS 43 N 0.00 0.00 0.08 1.45 3.64 -1.89 -2.96 116.57 116.89 1r8p h LYS 43 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r8p h LYS 43 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1r8p h LYS 43 CO 0.00 0.00 -0.09 0.45 -2.27 0.00 0.00 179.45 177.54 1r8p h HIS 44 N 0.00 -0.25 -2.03 1.91 3.86 -1.99 -3.45 115.15 113.20 1r8p h HIS 44 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 1r8p h HIS 44 Cb 0.33 0.10 -0.13 0.00 1.06 0.00 0.00 27.41 28.77 1r8p h HIS 44 CO 0.00 -0.12 -0.62 0.15 0.86 0.00 0.00 177.93 178.21 1r8p s LYS 45 N -3.49 1.84 -0.13 2.45 -0.14 -1.12 -5.06 119.74 114.10 1r8p s LYS 45 Ca -0.03 -2.02 0.05 0.00 -1.36 0.00 0.00 55.97 52.61 1r8p s LYS 45 Cb 0.01 -1.45 0.15 0.00 -1.68 0.00 0.00 37.83 34.86 1r8p s LYS 45 CO 0.10 -0.04 0.89 -1.13 -0.76 0.00 0.00 175.35 174.41 1r8p n SER 46 N -0.85 -0.67 -3.16 2.83 3.41 -1.26 -4.82 113.62 109.10 1r8p n SER 46 Ca -0.04 -1.45 0.05 0.00 -0.26 0.00 0.00 58.87 57.16 1r8p n SER 46 Cb 0.66 0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.05 -2.89 -0.03 7.33 0.00 -1.23 -4.66 121.76 120.33 1r8p s ALA 47 Ca 0.03 1.63 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 1r8p s ALA 47 Cb 0.17 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.95 1r8p s ALA 47 CO -0.05 -1.39 0.09 0.42 0.00 0.00 0.00 175.76 174.83 1r8p s ILE 48 N 2.91 0.02 -0.13 0.00 1.01 0.78 -4.30 121.20 121.48 1r8p s ILE 48 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1r8p s ILE 48 Cb -0.12 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.18 1r8p s ILE 48 CO -0.16 -0.08 -0.15 -0.69 0.00 0.00 0.00 174.94 173.86 1r8p s VAL 49 N -0.22 1.59 0.30 2.92 1.01 -1.19 0.13 120.40 124.93 1r8p s VAL 49 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1r8p s VAL 49 Cb -0.02 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1r8p s VAL 49 CO 0.00 0.46 0.51 -0.89 0.00 0.00 0.00 175.10 175.19 1r8p s THR 50 N 1.21 5.11 -0.04 3.92 2.01 -1.26 -3.26 115.64 123.33 1r8p s THR 50 Ca -0.01 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1r8p s THR 50 Cb -0.14 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1r8p s THR 50 CO -0.06 -0.41 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.67 1r8p s LEU 51 N -3.88 1.38 -0.20 4.42 1.43 -0.63 -2.48 118.68 118.71 1r8p s LEU 51 Ca 0.41 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.27 1r8p s LEU 51 Cb -0.10 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 1r8p s LEU 51 CO 0.33 -0.05 0.28 0.42 0.23 0.00 0.00 176.35 177.56 1r8p s THR 52 N 0.80 5.29 0.01 5.49 -4.23 -1.02 -1.29 115.64 120.70 1r8p s THR 52 Ca -0.10 0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1r8p s THR 52 Cb -0.13 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1r8p s THR 52 CO -0.00 0.34 0.10 -0.31 -0.54 0.00 0.00 174.62 174.20 1r8p s TYR 53 N 0.88 3.32 -1.04 3.99 1.51 0.69 0.12 117.35 126.81 1r8p s TYR 53 Ca 0.15 0.21 0.26 0.00 -1.01 0.00 0.00 57.07 56.68 1r8p s TYR 53 Cb -0.13 -1.73 0.77 0.00 -0.11 0.00 0.00 41.96 40.76 1r8p s TYR 53 CO 0.05 0.56 1.60 -3.47 -1.11 0.00 0.00 175.55 173.18 1r8p n ASP 54 N 1.01 0.35 -3.64 2.29 2.03 -1.26 -3.39 116.55 113.93 1r8p n ASP 54 Ca -0.12 -0.04 -0.09 0.00 0.52 0.00 0.00 54.79 55.07 1r8p n ASP 54 Cb 0.52 -0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.85 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1r8p s SER 55 N -2.97 -0.74 0.30 1.67 1.04 -1.26 -4.91 113.70 106.83 1r8p s SER 55 Ca 0.13 1.29 0.05 0.00 0.48 0.00 0.00 55.95 57.90 1r8p s SER 55 Cb 0.18 1.31 0.69 0.00 0.10 0.00 0.00 66.02 68.30 1r8p s SER 55 CO 0.63 -0.21 1.79 -0.33 0.98 0.00 0.00 173.24 176.10 1r8p h GLU 56 N 5.74 0.78 0.04 4.02 5.08 -1.97 -1.56 114.58 126.72 1r8p h GLU 56 Ca -0.29 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1r8p h GLU 56 Cb 1.19 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 1r8p h GLU 56 CO 0.12 0.52 -0.31 2.35 -1.00 0.00 0.00 179.01 180.68 1r8p h TRP 57 N 0.80 -0.86 -0.68 4.33 2.91 -2.01 -1.29 115.95 119.16 1r8p h TRP 57 Ca 0.56 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.68 1r8p h TRP 57 Cb 0.80 0.37 -0.04 0.00 -0.51 0.00 0.00 29.16 29.78 1r8p h TRP 57 CO -0.01 -0.41 0.45 0.37 -1.03 0.00 0.00 178.44 177.81 1r8p h GLN 58 N -0.49 0.61 -0.38 2.65 4.15 -1.66 -0.26 115.11 119.73 1r8p h GLN 58 Ca 0.05 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1r8p h GLN 58 Cb 0.56 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1r8p h GLN 58 CO -0.24 0.40 0.25 -0.09 -1.93 0.00 0.00 178.83 177.23 1r8p h ARG 59 N 0.63 0.45 0.87 1.69 2.43 -0.77 -1.91 114.38 117.76 1r8p h ARG 59 Ca 0.30 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1r8p h ARG 59 Cb 0.37 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1r8p h ARG 59 CO -0.10 0.30 -0.42 0.22 -1.51 0.00 0.00 179.97 178.46 1r8p h ASP 60 N 0.47 -0.99 0.48 -3.80 3.58 -0.65 -2.83 116.42 112.68 1r8p h ASP 60 Ca 0.15 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1r8p h ASP 60 Cb 0.02 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1r8p h ASP 60 CO -0.03 -0.67 0.00 0.06 -2.88 0.00 0.00 179.24 175.72 1r8p h GLN 61 N -1.23 0.00 0.37 0.28 -0.00 -1.56 -3.16 115.11 109.81 1r8p h GLN 61 Ca -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.52 1r8p h GLN 61 Cb 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.37 1r8p h GLN 61 CO 0.20 0.00 -0.25 0.35 -0.00 0.00 0.00 178.83 179.12 1r8p h PHE 62 N 0.00 -0.68 -1.00 0.06 3.57 -1.09 -0.53 116.94 117.28 1r8p h PHE 62 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1r8p h PHE 62 Cb 0.24 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1r8p h PHE 62 CO 0.00 -0.37 0.66 1.37 -2.23 0.00 0.00 178.31 177.74 1r8p h LEU 63 N -0.59 1.12 -2.03 0.59 -0.00 -1.56 0.11 115.31 112.95 1r8p h LEU 63 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1r8p h LEU 63 Cb 0.48 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1r8p h LEU 63 CO 0.03 0.80 -0.06 0.77 -0.00 0.00 0.00 178.44 179.99 1r8p h SER 64 N 1.32 0.00 0.22 0.17 4.64 -1.50 -2.79 113.55 115.60 1r8p h SER 64 Ca 0.38 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.36 1r8p h SER 64 Cb -0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 61.93 1r8p h SER 64 CO -0.10 0.06 -2.08 0.00 -0.87 0.00 0.00 176.83 173.84 1r8p n GLN 65 N -3.31 0.66 -3.25 4.77 1.13 -0.22 -4.65 117.38 112.51 1r8p n GLN 65 Ca -0.01 0.14 -0.46 0.00 -1.94 0.00 0.00 57.00 54.73 1r8p n GLN 65 Cb 0.22 -1.65 -0.01 0.00 0.11 0.00 0.00 30.24 28.91 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 -2.54 5.60 -0.66 5.09 -7.23 0.26 -4.99 120.40 115.93 1r8p s VAL 66 Ca -0.09 -2.70 -0.36 0.00 -1.81 0.00 0.00 61.98 57.03 1r8p s VAL 66 Cb 0.07 -4.59 -0.19 0.00 0.56 0.00 0.00 36.38 32.23 1r8p s VAL 66 CO 0.82 -1.19 2.19 1.17 -0.31 0.00 0.00 175.10 177.78 1r8p n LYS 67 N 3.98 0.00 -3.17 4.82 4.81 -1.26 -4.81 118.16 122.54 1r8p n LYS 67 Ca 0.20 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.25 1r8p n LYS 67 Cb 0.44 -1.38 -0.06 0.00 0.02 0.00 0.00 35.03 34.05 1r8p n LYS 67 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1r8p s ILE 68 N 6.70 5.08 1.01 3.15 2.07 -1.26 -5.06 121.20 132.90 1r8p s ILE 68 Ca 1.17 1.16 -0.17 0.00 -1.41 0.00 0.00 60.65 61.40 1r8p s ILE 68 Cb -1.29 -3.92 0.25 0.00 0.13 0.00 0.00 42.46 37.63 1r8p s ILE 68 CO 0.54 0.20 0.84 -0.81 -1.91 0.00 0.00 174.94 173.81 1r8p n PRO 69 N 4.39 -3.00 0.04 3.50 -0.04 -1.26 -4.93 135.00 133.69 1r8p n PRO 69 Ca -0.03 -1.35 0.12 0.00 -0.04 0.00 0.00 63.50 62.20 1r8p n PRO 69 Cb 0.51 -1.34 0.29 0.00 -0.04 0.00 0.00 33.50 32.91 1r8p n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1r8p n LYS 70 N -4.32 0.16 0.02 0.54 4.81 -1.26 -3.55 118.16 114.57 1r8p n LYS 70 Ca 0.12 0.07 0.13 0.00 -0.87 0.00 0.00 58.31 57.75 1r8p n LYS 70 Cb 0.47 -1.62 0.40 0.00 0.02 0.00 0.00 35.03 34.30 1r8p n LYS 70 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r8p n THR 71 N -1.87 0.12 -3.34 3.15 -2.24 -1.26 -4.75 114.28 104.08 1r8p n THR 71 Ca 0.05 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1r8p n THR 71 Cb 0.39 -0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.35 1r8p n THR 71 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r8p s ILE 72 N -3.03 5.15 -0.08 2.28 -1.09 -1.23 -4.27 121.20 118.92 1r8p s ILE 72 Ca 0.11 0.70 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1r8p s ILE 72 Cb 0.17 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1r8p s ILE 72 CO 0.62 0.16 0.33 -0.89 -1.23 0.00 0.00 174.94 173.94 1r8p s THR 73 N 1.95 5.21 0.40 2.92 2.01 -1.22 -4.87 115.64 122.04 1r8p s THR 73 Ca 0.18 0.65 -0.06 0.00 0.31 0.00 0.00 61.69 62.76 1r8p s THR 73 Cb -0.15 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1r8p s THR 73 CO 0.09 0.51 0.70 -0.69 -0.69 0.00 0.00 174.62 174.54 1r8p s VAL 74 N -0.45 4.91 0.04 3.82 1.01 -1.26 -3.89 120.40 124.58 1r8p s VAL 74 Ca 0.20 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 1r8p s VAL 74 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1r8p s VAL 74 CO 0.09 -0.59 0.06 -0.44 0.00 0.00 0.00 175.10 174.22 1r8p s SER 75 N -3.56 0.23 -0.03 3.32 0.01 -1.16 -4.92 113.70 107.60 1r8p s SER 75 Ca 0.47 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1r8p s SER 75 Cb -0.10 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1r8p s SER 75 CO 0.36 -0.49 -0.08 0.42 0.41 0.00 0.00 173.24 173.86 1r8p s THR 76 N -2.62 0.70 0.22 1.44 -4.23 -1.26 -3.93 115.64 105.96 1r8p s THR 76 Ca -0.05 -0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 60.08 1r8p s THR 76 Cb -0.01 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.22 1r8p s THR 76 CO -0.05 0.23 0.44 0.61 -0.54 0.00 0.00 174.62 175.31 1r8p n GLY 77 N 3.41 1.46 3.21 3.99 0.00 -1.25 -5.03 105.19 110.97 1r8p n GLY 77 Ca -0.19 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -5.10 -0.06 0.37 1.61 0.08 -1.26 -3.61 117.98 110.01 1r8p s PHE 78 Ca 0.09 -0.04 0.06 0.00 0.12 0.00 0.00 56.93 57.16 1r8p s PHE 78 Cb -0.03 0.04 -0.07 0.00 -0.57 0.00 0.00 43.02 42.39 1r8p s PHE 78 CO 0.07 -0.42 0.03 -1.64 -0.10 0.00 0.00 175.22 173.16 1r8p s MET 79 N -2.05 1.81 -0.29 0.44 -1.94 -0.94 -4.92 119.30 111.40 1r8p s MET 79 Ca -0.09 -2.01 0.01 0.00 -1.71 0.00 0.00 55.69 51.89 1r8p s MET 79 Cb -0.03 -1.29 0.15 0.00 2.01 0.00 0.00 34.83 35.67 1r8p s MET 79 CO -0.01 -0.10 0.37 0.45 -0.01 0.00 0.00 175.02 175.72 1r8p s SER 80 N -3.60 0.88 0.00 3.03 0.15 -1.26 -2.40 113.70 110.50 1r8p s SER 80 Ca 0.35 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1r8p s SER 80 Cb 0.09 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1r8p s SER 80 CO 0.17 -0.36 0.00 -0.38 1.20 0.00 0.00 173.24 173.86