#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 4.92 0.89 2.03 -1.32 -1.25 -4.89 115.64 116.02 1r8p s THR 2 Ca 0.00 0.40 -0.10 0.00 -1.21 0.00 0.00 61.69 60.78 1r8p s THR 2 Cb 0.00 -4.07 0.13 0.00 -1.51 0.00 0.00 72.50 67.05 1r8p s THR 2 CO 0.00 -0.34 1.13 -2.16 -2.21 0.00 0.00 174.62 171.04 1r8p s PRO 3 N 2.62 1.22 -0.08 7.08 0.04 -1.24 -2.63 135.00 142.01 1r8p s PRO 3 Ca 0.22 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 1r8p s PRO 3 Cb -0.15 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.68 1r8p s PRO 3 CO 0.15 -2.45 0.15 0.96 0.04 0.00 0.00 177.00 175.85 1r8p s ILE 4 N -2.70 -0.21 -0.14 0.56 -4.36 -0.93 -2.48 121.20 110.94 1r8p s ILE 4 Ca 0.66 0.32 -0.16 0.00 -0.26 0.00 0.00 60.65 61.21 1r8p s ILE 4 Cb -0.22 -0.28 -0.04 0.00 1.25 0.00 0.00 42.46 43.17 1r8p s ILE 4 CO 0.58 0.13 0.37 -0.69 0.24 0.00 0.00 174.94 175.57 1r8p s VAL 5 N 2.03 5.25 -0.23 8.37 1.01 0.55 -3.22 120.40 134.16 1r8p s VAL 5 Ca 0.00 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 1r8p s VAL 5 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1r8p s VAL 5 CO -0.06 0.36 0.06 -1.00 0.00 0.00 0.00 175.10 174.47 1r8p s HIS 6 N 0.53 3.11 -0.07 5.22 3.76 -1.23 -0.41 115.29 126.19 1r8p s HIS 6 Ca 0.21 -0.32 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1r8p s HIS 6 Cb -0.14 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.33 1r8p s HIS 6 CO 0.07 -0.25 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.36 1r8p s LEU 7 N 1.34 2.55 0.15 0.89 2.96 -0.96 -3.37 118.68 122.24 1r8p s LEU 7 Ca 0.05 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1r8p s LEU 7 Cb -0.15 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1r8p s LEU 7 CO 0.03 0.27 0.09 -0.75 -1.32 0.00 0.00 176.35 174.67 1r8p s LYS 8 N -0.28 0.99 0.00 1.98 2.20 -1.19 -1.89 119.74 121.56 1r8p s LYS 8 Ca 0.01 -1.45 0.00 0.00 -0.36 0.00 0.00 55.97 54.17 1r8p s LYS 8 Cb -0.13 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1r8p s LYS 8 CO 0.03 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1r8p n GLY 9 N -0.13 0.14 3.72 5.54 0.00 -1.26 -3.44 105.19 109.75 1r8p n GLY 9 Ca -0.04 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 6.62 0.07 1.61 1.01 -1.26 -4.40 116.67 116.32 1r8p s ASP 10 Ca 0.00 2.59 -0.24 0.00 0.71 0.00 0.00 52.55 55.61 1r8p s ASP 10 Cb 0.00 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 1r8p s ASP 10 CO 0.00 -0.79 1.38 0.00 0.21 0.00 0.00 175.17 175.97 1r8p h ALA 11 N 6.57 -0.84 -0.82 5.23 0.00 -1.90 -1.82 119.26 125.67 1r8p h ALA 11 Ca -0.43 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 54.61 1r8p h ALA 11 Cb 1.21 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 19.64 1r8p h ALA 11 CO 0.89 -0.94 0.02 -2.95 0.00 0.00 0.00 179.25 176.27 1r8p h ASN 12 N -0.50 -0.37 -0.26 0.00 7.08 -1.98 0.78 115.58 120.32 1r8p h ASN 12 Ca 0.00 0.22 0.06 0.00 -3.08 0.00 0.00 56.30 53.50 1r8p h ASN 12 Cb 0.52 0.38 -0.01 0.00 -2.08 0.00 0.00 38.32 37.12 1r8p h ASN 12 CO -0.22 -0.22 0.19 0.74 -2.08 0.00 0.00 177.43 175.84 1r8p h THR 13 N 0.09 0.90 -0.12 6.14 2.02 -1.74 -0.96 112.91 119.24 1r8p h THR 13 Ca 0.46 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.49 1r8p h THR 13 Cb 0.85 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1r8p h THR 13 CO -0.73 0.01 -0.51 -0.07 0.37 0.00 0.00 175.52 174.59 1r8p h LEU 14 N 0.06 0.35 -0.60 2.58 3.38 0.13 -2.96 115.31 118.25 1r8p h LEU 14 Ca 0.12 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1r8p h LEU 14 Cb 0.41 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1r8p h LEU 14 CO -0.01 0.80 0.39 0.11 0.09 0.00 0.00 178.44 179.82 1r8p h LYS 15 N 0.25 0.76 -0.32 1.13 1.79 -0.84 -2.52 116.57 116.83 1r8p h LYS 15 Ca 0.01 -0.05 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1r8p h LYS 15 Cb 0.99 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 1r8p h LYS 15 CO 0.08 0.50 -0.41 0.00 -1.08 0.00 0.00 179.45 178.55 1r8p h LEU 17 N 0.64 -0.78 -1.80 0.00 3.38 -1.32 -1.73 115.31 113.70 1r8p h LEU 17 Ca 0.05 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.40 1r8p h LEU 17 Cb 0.97 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1r8p h LEU 17 CO 0.09 -0.50 0.96 -0.09 0.09 0.00 0.00 178.44 178.99 1r8p h ARG 18 N -0.80 0.00 -0.08 1.13 2.43 -1.52 1.07 114.38 116.62 1r8p h ARG 18 Ca -0.06 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1r8p h ARG 18 Cb 0.64 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1r8p h ARG 18 CO 0.08 0.00 -0.20 -0.92 -1.51 0.00 0.00 179.97 177.42 1r8p h TYR 19 N 0.00 0.13 0.00 2.20 3.20 -1.37 -1.66 116.97 119.48 1r8p h TYR 19 Ca 0.55 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.39 1r8p h TYR 19 Cb 2.46 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 40.69 1r8p h TYR 19 CO 0.00 0.32 -0.07 0.00 -1.64 0.00 0.00 178.16 176.78 1r8p h ARG 20 N 0.12 0.00 -0.39 1.82 3.08 0.12 -2.68 114.38 116.45 1r8p h ARG 20 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1r8p h ARG 20 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1r8p h ARG 20 CO 0.03 0.07 -0.11 0.74 -1.07 0.00 0.00 179.97 179.62 1r8p h PHE 21 N 0.00 0.76 -0.71 3.04 -1.00 -1.34 -2.71 116.94 114.99 1r8p h PHE 21 Ca -0.00 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.60 1r8p h PHE 21 Cb 0.43 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 1r8p h PHE 21 CO 0.00 0.78 0.26 0.87 -1.61 0.00 0.00 178.31 178.61 1r8p h LYS 22 N 0.64 1.07 0.00 1.51 1.79 -1.57 0.72 116.57 120.73 1r8p h LYS 22 Ca 0.11 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1r8p h LYS 22 Cb 0.56 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1r8p h LYS 22 CO 0.04 0.90 0.00 1.63 -1.08 0.00 0.00 179.45 180.94 1r8p n LYS 23 N -4.34 0.60 -2.16 3.15 4.76 -1.08 -3.19 118.16 115.90 1r8p n LYS 23 Ca 0.05 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1r8p n LYS 23 Cb 0.19 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.92 1r8p n LYS 23 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1r8p n HIS 24 N -1.10 0.26 0.00 2.13 8.25 -0.39 -4.90 115.22 119.47 1r8p n HIS 24 Ca 0.15 -1.35 0.00 0.00 -0.26 0.00 0.00 57.72 56.27 1r8p n HIS 24 Cb 0.12 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.41 0.38 -0.10 0.00 -2.24 -1.26 -4.30 114.28 105.35 1r8p n THR 26 Ca 0.00 -0.58 -0.24 0.00 -2.27 0.00 0.00 64.05 60.97 1r8p n THR 26 Cb 0.06 0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.01 1.99 -4.98 3.22 4.77 0.37 -4.96 117.00 118.41 1r8p n LEU 27 Ca 0.18 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.33 1r8p n LEU 27 Cb 0.49 -0.95 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1r8p n LEU 27 CO 0.14 0.42 0.05 -0.72 -1.33 0.00 0.00 177.39 175.96 1r8p s TYR 28 N -2.42 3.06 -0.19 -1.77 -0.85 -1.26 -4.94 117.35 108.98 1r8p s TYR 28 Ca -0.31 -0.25 0.16 0.00 -0.52 0.00 0.00 57.07 56.16 1r8p s TYR 28 Cb 0.08 -2.02 -0.23 0.00 0.38 0.00 0.00 41.96 40.17 1r8p s TYR 28 CO 0.58 -0.04 0.06 2.41 -1.52 0.00 0.00 175.55 177.04 1r8p n THR 29 N -1.64 1.30 -3.23 -3.49 -1.04 -1.24 -4.95 114.28 100.00 1r8p n THR 29 Ca 0.01 -0.79 0.02 0.00 -2.04 0.00 0.00 64.05 61.25 1r8p n THR 29 Cb 0.58 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.55 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 -2.46 -2.14 0.06 2.41 0.00 -1.26 -5.09 121.76 113.28 1r8p s ALA 30 Ca -0.10 1.84 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 1r8p s ALA 30 Cb 0.06 -2.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 1r8p s ALA 30 CO 0.77 -1.27 0.52 0.14 0.00 0.00 0.00 175.76 175.92 1r8p s VAL 31 N 2.84 4.84 0.15 0.00 -7.23 -1.26 -3.17 120.40 116.56 1r8p s VAL 31 Ca 0.17 1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 61.26 1r8p s VAL 31 Cb -0.15 -3.82 -0.07 0.00 0.56 0.00 0.00 36.38 32.90 1r8p s VAL 31 CO -0.20 0.52 0.53 -0.94 -0.31 0.00 0.00 175.10 174.70 1r8p s SER 32 N -1.18 6.78 0.96 4.85 1.04 -0.99 -5.03 113.70 120.12 1r8p s SER 32 Ca 0.29 1.02 -0.11 0.00 0.48 0.00 0.00 55.95 57.63 1r8p s SER 32 Cb -0.18 -2.26 0.17 0.00 0.10 0.00 0.00 66.02 63.84 1r8p s SER 32 CO 0.17 0.09 1.12 -0.94 0.98 0.00 0.00 173.24 174.66 1r8p s SER 33 N -1.80 2.61 0.17 7.02 1.04 -1.26 -4.37 113.70 117.11 1r8p s SER 33 Ca 0.38 2.01 -0.31 0.00 0.48 0.00 0.00 55.95 58.51 1r8p s SER 33 Cb -0.14 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 1r8p s SER 33 CO 0.19 -3.26 1.38 -0.89 0.98 0.00 0.00 173.24 171.64 1r8p s THR 34 N -2.63 3.11 0.30 2.02 2.01 -1.26 -4.64 115.64 114.55 1r8p s THR 34 Ca 0.67 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1r8p s THR 34 Cb -0.23 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1r8p s THR 34 CO 0.59 0.10 0.39 -2.67 -0.69 0.00 0.00 174.62 172.34 1r8p n TRP 35 N 3.18 -1.19 -3.83 4.92 4.27 0.45 -4.88 117.44 120.37 1r8p n TRP 35 Ca 0.09 -2.12 -0.06 0.00 -3.89 0.00 0.00 57.50 51.52 1r8p n TRP 35 Cb 0.42 0.43 0.00 0.00 -1.36 0.00 0.00 31.31 30.80 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 -3.19 -0.03 -0.77 -2.67 2.46 -1.26 0.28 115.29 110.11 1r8p s HIS 36 Ca 0.27 -0.47 -0.26 0.00 0.47 0.00 0.00 55.06 55.06 1r8p s HIS 36 Cb -0.00 0.74 0.03 0.00 -0.13 0.00 0.00 32.58 33.22 1r8p s HIS 36 CO 0.19 -1.24 1.39 -1.58 -2.47 0.00 0.00 174.74 171.03 1r8p s TRP 37 N -2.98 2.23 0.46 3.88 0.23 -1.26 -4.97 118.94 116.53 1r8p s TRP 37 Ca 0.14 -0.05 0.02 0.00 -2.03 0.00 0.00 56.10 54.18 1r8p s TRP 37 Cb -0.04 -4.56 0.02 0.00 0.03 0.00 0.00 33.47 28.92 1r8p s TRP 37 CO 0.08 -2.08 0.19 0.25 0.96 0.00 0.00 176.95 176.35 1r8p n THR 38 N 6.59 0.00 0.00 2.01 -2.24 -1.26 -5.05 114.28 114.33 1r8p n THR 38 Ca 0.10 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 1r8p n THR 38 Cb 0.50 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1r8p n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r8p n GLY 39 N -0.58 -1.38 0.89 3.38 0.00 -1.26 -5.07 105.19 101.17 1r8p n GLY 39 Ca -0.10 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 -3.27 1.61 -0.00 -1.26 -4.94 115.22 107.36 1r8p n HIS 40 Ca 0.00 0.00 -0.46 0.00 0.46 0.00 0.00 57.72 57.72 1r8p n HIS 40 Cb 0.00 -0.04 -0.05 0.00 -0.12 0.00 0.00 29.99 29.79 1r8p n HIS 40 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1r8p s ASN 41 N -5.45 6.26 -0.13 0.26 0.02 -1.26 -5.01 114.94 109.63 1r8p s ASN 41 Ca -0.02 -1.83 -0.02 0.00 -1.02 0.00 0.00 52.86 49.98 1r8p s ASN 41 Cb 0.00 -2.23 0.04 0.00 0.02 0.00 0.00 41.25 39.08 1r8p s ASN 41 CO 0.03 -0.88 -0.01 0.68 0.02 0.00 0.00 177.10 176.94 1r8p s VAL 42 N 1.66 0.62 0.00 1.60 -7.23 -1.26 -5.07 120.40 110.73 1r8p s VAL 42 Ca 0.07 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 1r8p s VAL 42 Cb -0.26 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.80 1r8p s VAL 42 CO 0.02 0.10 0.25 0.29 -0.31 0.00 0.00 175.10 175.45 1r8p n LYS 43 N 5.05 0.00 -3.50 4.82 5.02 -1.26 -4.98 118.16 123.31 1r8p n LYS 43 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1r8p n LYS 43 Cb 0.49 -0.74 -0.04 0.00 -0.02 0.00 0.00 35.03 34.71 1r8p n LYS 43 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1r8p s HIS 44 N -0.50 -0.99 0.00 2.13 -3.43 -1.26 -5.16 115.29 106.08 1r8p s HIS 44 Ca 0.00 1.70 0.00 0.00 -0.80 0.00 0.00 55.06 55.96 1r8p s HIS 44 Cb 0.00 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.74 1r8p s HIS 44 CO 0.00 -0.49 0.00 1.63 -2.00 0.00 0.00 174.74 173.88 1r8p n LYS 45 N 5.20 1.01 -3.80 -0.38 4.76 -1.26 -5.11 118.16 118.58 1r8p n LYS 45 Ca -0.10 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.05 1r8p n LYS 45 Cb 0.51 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.54 1r8p n LYS 45 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1r8p s SER 46 N 0.46 3.53 0.86 4.39 1.04 -1.26 -4.89 113.70 117.82 1r8p s SER 46 Ca 0.00 -1.18 -0.17 0.00 0.48 0.00 0.00 55.95 55.08 1r8p s SER 46 Cb 0.00 -0.86 -0.15 0.00 0.10 0.00 0.00 66.02 65.11 1r8p s SER 46 CO 0.00 -0.32 -0.61 0.00 0.98 0.00 0.00 173.24 173.29 1r8p n ALA 47 N 4.87 -4.80 -2.49 5.32 0.00 -1.26 -4.68 120.51 117.47 1r8p n ALA 47 Ca -0.08 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1r8p n ALA 47 Cb 0.45 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.00 0.04 0.35 0.00 1.01 0.80 -4.12 121.20 117.28 1r8p s ILE 48 Ca 0.45 -1.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.37 1r8p s ILE 48 Cb -0.27 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1r8p s ILE 48 CO 0.78 -0.18 0.46 0.55 0.00 0.00 0.00 174.94 176.56 1r8p n VAL 49 N -0.24 0.00 -3.86 2.92 3.14 -0.79 0.17 118.33 119.67 1r8p n VAL 49 Ca -0.03 -1.91 -0.10 0.00 -2.96 0.00 0.00 64.34 59.34 1r8p n VAL 49 Cb 0.64 1.13 -0.08 0.00 -1.06 0.00 0.00 33.84 34.47 1r8p n VAL 49 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r8p s THR 50 N -2.91 0.12 -0.06 1.55 2.01 -1.26 -2.27 115.64 112.83 1r8p s THR 50 Ca 0.31 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 1r8p s THR 50 Cb -0.00 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1r8p s THR 50 CO 0.22 -0.56 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.81 1r8p s LEU 51 N -2.37 1.01 -0.13 4.42 1.43 0.45 -2.36 118.68 121.13 1r8p s LEU 51 Ca -0.01 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1r8p s LEU 51 Cb 0.01 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 1r8p s LEU 51 CO -0.06 -0.12 0.23 0.42 0.23 0.00 0.00 176.35 177.05 1r8p s THR 52 N 1.39 5.34 0.20 5.49 -4.23 -1.19 -0.33 115.64 122.31 1r8p s THR 52 Ca -0.04 0.42 0.11 0.00 -1.18 0.00 0.00 61.69 61.01 1r8p s THR 52 Cb -0.13 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1r8p s THR 52 CO -0.03 0.50 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.01 1r8p s TYR 53 N -0.24 2.28 -1.00 3.99 1.51 -1.04 -3.60 117.35 119.25 1r8p s TYR 53 Ca 0.15 -0.36 0.26 0.00 -1.01 0.00 0.00 57.07 56.12 1r8p s TYR 53 Cb -0.13 -1.11 0.77 0.00 -0.11 0.00 0.00 41.96 41.37 1r8p s TYR 53 CO 0.04 0.51 1.60 -3.47 -1.11 0.00 0.00 175.55 173.12 1r8p n ASP 54 N 0.18 0.33 -3.52 2.29 2.03 -1.26 -3.71 116.55 112.88 1r8p n ASP 54 Ca -0.12 0.02 -0.17 0.00 0.52 0.00 0.00 54.79 55.04 1r8p n ASP 54 Cb 0.56 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.89 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1r8p s SER 55 N -3.02 -0.63 0.23 1.67 0.01 -1.26 -4.91 113.70 105.79 1r8p s SER 55 Ca 0.12 0.66 -0.06 0.00 1.31 0.00 0.00 55.95 57.98 1r8p s SER 55 Cb 0.18 0.52 0.21 0.00 0.21 0.00 0.00 66.02 67.14 1r8p s SER 55 CO 0.64 -0.61 1.76 -0.33 0.41 0.00 0.00 173.24 175.11 1r8p h GLU 56 N 2.91 1.06 -0.17 12.44 5.08 -1.91 -2.93 114.58 131.06 1r8p h GLU 56 Ca -0.27 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1r8p h GLU 56 Cb 1.15 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 1r8p h GLU 56 CO 0.38 0.92 -0.17 2.35 -1.00 0.00 0.00 179.01 181.49 1r8p h TRP 57 N 1.02 -0.45 -0.67 4.33 2.91 -2.01 -1.02 115.95 120.06 1r8p h TRP 57 Ca 0.22 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.34 1r8p h TRP 57 Cb 0.32 0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 1r8p h TRP 57 CO 0.02 -0.25 0.44 0.37 -1.03 0.00 0.00 178.44 178.00 1r8p h GLN 58 N -0.20 0.63 0.03 2.65 4.15 -1.93 -2.47 115.11 117.97 1r8p h GLN 58 Ca 0.11 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1r8p h GLN 58 Cb 0.36 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1r8p h GLN 58 CO -0.29 0.42 -0.03 -0.09 -1.93 0.00 0.00 178.83 176.91 1r8p h ARG 59 N 0.65 -0.06 -0.29 1.69 2.43 -1.02 -2.38 114.38 115.39 1r8p h ARG 59 Ca 0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1r8p h ARG 59 Cb 0.31 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1r8p h ARG 59 CO -0.09 -0.04 0.14 0.22 -1.51 0.00 0.00 179.97 178.69 1r8p h ASP 60 N -0.06 0.35 -0.17 -3.80 3.58 -1.13 -2.66 116.42 112.53 1r8p h ASP 60 Ca 0.00 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1r8p h ASP 60 Cb 0.06 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1r8p h ASP 60 CO -0.01 0.30 0.02 1.56 -2.88 0.00 0.00 179.24 178.23 1r8p h GLN 61 N 0.41 0.30 -0.69 0.28 4.20 -1.18 -2.79 115.11 115.63 1r8p h GLN 61 Ca 0.10 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 58.81 1r8p h GLN 61 Cb 0.04 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1r8p h GLN 61 CO -0.02 0.48 0.36 0.35 -0.67 0.00 0.00 178.83 179.34 1r8p h PHE 62 N 0.07 0.66 -0.60 2.96 3.04 -1.10 -0.88 116.94 121.08 1r8p h PHE 62 Ca 0.05 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.05 1r8p h PHE 62 Cb 0.34 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1r8p h PHE 62 CO 0.03 0.28 0.40 -0.07 -2.02 0.00 0.00 178.31 176.92 1r8p h LEU 63 N 0.65 0.63 -0.30 0.59 3.38 -1.37 -0.54 115.31 118.34 1r8p h LEU 63 Ca 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1r8p h LEU 63 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1r8p h LEU 63 CO -0.23 0.44 0.00 -1.28 0.09 0.00 0.00 178.44 177.47 1r8p h SER 64 N 0.74 0.00 0.25 -0.43 0.87 -0.93 -3.14 113.55 110.91 1r8p h SER 64 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1r8p h SER 64 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1r8p h SER 64 CO -0.06 0.00 -0.69 0.00 -0.53 0.00 0.00 176.83 175.55 1r8p n GLN 65 N -2.92 0.11 -3.46 2.24 1.13 -0.33 -4.71 117.38 109.44 1r8p n GLN 65 Ca 0.04 -0.08 -0.26 0.00 -1.94 0.00 0.00 57.00 54.76 1r8p n GLN 65 Cb 0.46 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.19 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 -2.94 -0.03 -0.35 5.09 -7.23 -0.52 -5.08 120.40 109.33 1r8p s VAL 66 Ca 0.11 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 1r8p s VAL 66 Cb 0.17 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 36.12 1r8p s VAL 66 CO 0.75 -0.83 1.31 -1.59 -0.31 0.00 0.00 175.10 174.43 1r8p s LYS 67 N 1.45 3.80 0.49 4.82 -2.85 -1.26 -4.76 119.74 121.43 1r8p s LYS 67 Ca 0.15 1.08 -0.03 0.00 -1.00 0.00 0.00 55.97 56.17 1r8p s LYS 67 Cb -0.20 -3.92 -0.01 0.00 -2.06 0.00 0.00 37.83 31.65 1r8p s LYS 67 CO -0.10 -1.27 0.76 0.42 0.10 0.00 0.00 175.35 175.26 1r8p s ILE 68 N 4.66 4.25 1.31 3.79 1.01 -1.26 -5.07 121.20 129.89 1r8p s ILE 68 Ca 0.56 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.83 1r8p s ILE 68 Cb -0.15 -3.61 0.34 0.00 0.01 0.00 0.00 42.46 39.05 1r8p s ILE 68 CO 0.26 -0.53 0.80 -0.81 0.00 0.00 0.00 174.94 174.67 1r8p n PRO 69 N -2.24 -4.49 0.00 2.79 -0.04 -1.26 -4.91 135.00 124.84 1r8p n PRO 69 Ca 0.01 -1.34 0.12 0.00 -0.04 0.00 0.00 63.50 62.25 1r8p n PRO 69 Cb 0.57 -1.70 0.28 0.00 -0.04 0.00 0.00 33.50 32.61 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 -5.38 0.69 0.16 0.54 5.02 -1.26 -3.86 118.16 114.07 1r8p n LYS 70 Ca 0.13 -0.44 0.11 0.00 -2.02 0.00 0.00 58.31 56.08 1r8p n LYS 70 Cb 0.54 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 34.15 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 1.09 0.05 -3.37 -0.18 2.02 -1.95 -3.42 112.91 107.14 1r8p h THR 71 Ca 0.00 -1.07 -0.68 0.00 0.77 0.00 0.00 66.41 65.43 1r8p h THR 71 Cb 0.54 1.80 -0.18 0.00 -1.74 0.00 0.00 68.15 68.57 1r8p h THR 71 CO 0.00 0.03 0.00 -0.63 0.37 0.00 0.00 175.52 175.29 1r8p s ILE 72 N -3.26 4.91 0.28 3.11 1.01 -1.25 -4.61 121.20 121.39 1r8p s ILE 72 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1r8p s ILE 72 Cb 0.07 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1r8p s ILE 72 CO 0.73 -0.69 0.48 -0.89 0.00 0.00 0.00 174.94 174.57 1r8p s THR 73 N 2.55 5.14 -0.05 2.92 2.01 -1.22 -4.86 115.64 122.13 1r8p s THR 73 Ca 0.16 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1r8p s THR 73 Cb -0.18 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.56 1r8p s THR 73 CO 0.13 -0.37 0.10 0.54 -0.69 0.00 0.00 174.62 174.33 1r8p s VAL 74 N -2.10 -0.05 0.47 3.82 0.11 -1.26 -3.14 120.40 118.25 1r8p s VAL 74 Ca 0.39 0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.71 1r8p s VAL 74 Cb -0.10 -0.18 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1r8p s VAL 74 CO 0.32 0.07 0.56 -0.55 -3.33 0.00 0.00 175.10 172.17 1r8p s SER 75 N 1.07 5.27 0.01 3.54 0.15 -1.22 -4.92 113.70 117.60 1r8p s SER 75 Ca -0.09 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 55.92 1r8p s SER 75 Cb -0.11 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.85 1r8p s SER 75 CO -0.05 -0.90 -0.08 0.42 1.20 0.00 0.00 173.24 173.83 1r8p s THR 76 N -2.50 3.54 0.34 6.45 -4.23 -1.26 -3.57 115.64 114.42 1r8p s THR 76 Ca 0.53 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 60.10 1r8p s THR 76 Cb -0.06 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1r8p s THR 76 CO 0.32 0.39 0.62 -0.83 -0.54 0.00 0.00 174.62 174.58 1r8p s GLY 77 N -1.42 0.72 -0.04 3.99 0.00 -1.20 -5.01 107.32 104.37 1r8p s GLY 77 Ca 0.17 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 1r8p s GLY 77 CO 0.07 -0.57 0.26 -1.36 0.00 0.00 0.00 173.10 171.50 1r8p s PHE 78 N -3.02 -0.16 0.49 1.90 0.08 -1.26 -2.19 117.98 113.81 1r8p s PHE 78 Ca 0.21 0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.60 1r8p s PHE 78 Cb -0.03 0.06 -0.02 0.00 -0.57 0.00 0.00 43.02 42.46 1r8p s PHE 78 CO 0.13 -0.29 0.01 -1.64 -0.10 0.00 0.00 175.22 173.34 1r8p s MET 79 N -0.87 2.15 -0.20 0.44 -1.94 -1.08 -4.98 119.30 112.82 1r8p s MET 79 Ca -0.09 -2.35 -0.05 0.00 -1.71 0.00 0.00 55.69 51.49 1r8p s MET 79 Cb -0.05 -1.53 0.07 0.00 2.01 0.00 0.00 34.83 35.33 1r8p s MET 79 CO 0.02 -0.31 0.10 0.45 -0.01 0.00 0.00 175.02 175.27 1r8p s SER 80 N -3.84 2.69 0.00 3.03 0.15 -1.26 -3.82 113.70 110.64 1r8p s SER 80 Ca 0.11 -0.80 0.29 0.00 0.70 0.00 0.00 55.95 56.24 1r8p s SER 80 Cb 0.03 -0.29 1.17 0.00 -1.71 0.00 0.00 66.02 65.22 1r8p s SER 80 CO 0.06 -0.37 1.81 0.00 1.20 0.00 0.00 173.24 175.94