#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 5.16 0.47 2.03 2.01 -1.22 -4.92 115.64 119.18 1r8p s THR 2 Ca 0.00 0.69 -0.23 0.00 0.31 0.00 0.00 61.69 62.47 1r8p s THR 2 Cb 0.00 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1r8p s THR 2 CO 0.00 0.19 1.18 -2.16 -0.69 0.00 0.00 174.62 173.14 1r8p s PRO 3 N 1.77 3.69 -0.12 4.92 0.04 -1.25 -2.26 135.00 141.79 1r8p s PRO 3 Ca 0.18 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 1r8p s PRO 3 Cb -0.15 -2.38 0.06 0.00 0.04 0.00 0.00 34.50 32.07 1r8p s PRO 3 CO 0.09 -0.62 0.18 0.96 0.04 0.00 0.00 177.00 177.65 1r8p s ILE 4 N -1.53 -0.28 0.23 0.56 -5.25 -1.13 -2.73 121.20 111.06 1r8p s ILE 4 Ca 0.65 0.22 -0.04 0.00 -0.99 0.00 0.00 60.65 60.49 1r8p s ILE 4 Cb -0.29 -0.41 -0.05 0.00 2.95 0.00 0.00 42.46 44.66 1r8p s ILE 4 CO 0.35 0.05 0.47 -0.69 -1.79 0.00 0.00 174.94 173.33 1r8p s VAL 5 N 2.31 5.10 -0.10 8.37 1.01 -0.78 -3.63 120.40 132.67 1r8p s VAL 5 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1r8p s VAL 5 Cb -0.13 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1r8p s VAL 5 CO -0.08 -0.19 0.01 -2.28 0.00 0.00 0.00 175.10 172.56 1r8p s HIS 6 N -1.92 0.80 0.09 5.22 2.46 -1.23 -2.83 115.29 117.88 1r8p s HIS 6 Ca 0.42 -0.37 0.07 0.00 0.47 0.00 0.00 55.06 55.65 1r8p s HIS 6 Cb -0.11 -0.88 -0.04 0.00 -0.13 0.00 0.00 32.58 31.42 1r8p s HIS 6 CO 0.28 -0.41 -0.12 -0.51 -2.47 0.00 0.00 174.74 171.51 1r8p s LEU 7 N 1.93 2.94 0.18 8.88 1.43 -1.21 -2.11 118.68 130.72 1r8p s LEU 7 Ca 0.04 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1r8p s LEU 7 Cb -0.13 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1r8p s LEU 7 CO -0.06 0.20 0.18 -0.75 0.23 0.00 0.00 176.35 176.15 1r8p s LYS 8 N -2.01 1.17 0.00 1.70 2.20 -1.23 -3.43 119.74 118.15 1r8p s LYS 8 Ca 0.19 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.34 1r8p s LYS 8 Cb -0.11 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1r8p s LYS 8 CO 0.11 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1r8p n GLY 9 N -0.23 0.12 3.70 5.54 0.00 -1.26 -3.79 105.19 109.27 1r8p n GLY 9 Ca -0.02 -1.34 -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 0.99 0.00 0.00 0.00 173.32 174.31 1r8p s ASP 10 N -4.00 6.62 0.58 1.61 1.01 -1.26 -4.26 116.67 116.97 1r8p s ASP 10 Ca 0.00 2.51 0.30 0.00 0.71 0.00 0.00 52.55 56.08 1r8p s ASP 10 Cb 0.00 -2.58 1.43 0.00 1.01 0.00 0.00 42.92 42.78 1r8p s ASP 10 CO 0.00 -0.84 1.82 0.00 0.21 0.00 0.00 175.17 176.36 1r8p h ALA 11 N 7.53 2.50 0.05 5.23 0.00 -1.82 0.22 119.26 132.98 1r8p h ALA 11 Ca -0.42 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1r8p h ALA 11 Cb 1.20 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1r8p h ALA 11 CO 0.92 -1.00 -0.54 -0.91 0.00 0.00 0.00 179.25 177.72 1r8p h ASN 12 N 0.00 0.39 -0.04 0.00 2.35 -1.90 -3.19 115.58 113.19 1r8p h ASN 12 Ca 0.33 -0.86 0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1r8p h ASN 12 Cb 1.61 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.86 1r8p h ASN 12 CO -0.00 1.20 0.11 0.74 -1.65 0.00 0.00 177.43 177.84 1r8p h THR 13 N -0.38 0.16 0.00 2.81 2.02 -1.33 0.07 112.91 116.26 1r8p h THR 13 Ca -0.08 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.93 1r8p h THR 13 Cb 1.33 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1r8p h THR 13 CO 0.10 0.00 -0.81 -0.07 0.37 0.00 0.00 175.52 175.12 1r8p h LEU 14 N 0.00 0.00 -1.05 2.58 3.38 -1.44 -3.23 115.31 115.54 1r8p h LEU 14 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1r8p h LEU 14 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1r8p h LEU 14 CO -0.00 0.81 0.61 0.50 0.09 0.00 0.00 178.44 180.45 1r8p h LYS 15 N 0.00 1.25 -0.37 1.13 3.64 -1.02 -2.61 116.57 118.59 1r8p h LYS 15 Ca -0.01 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 1r8p h LYS 15 Cb 1.45 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1r8p h LYS 15 CO 0.10 0.84 -0.39 0.00 -2.27 0.00 0.00 179.45 177.73 1r8p h LEU 17 N 0.73 -0.02 -1.22 0.00 3.38 -1.51 -2.23 115.31 114.45 1r8p h LEU 17 Ca 0.06 0.02 0.34 0.00 0.09 0.00 0.00 57.88 58.39 1r8p h LEU 17 Cb 0.98 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 1r8p h LEU 17 CO 0.10 0.01 0.68 -0.09 0.09 0.00 0.00 178.44 179.23 1r8p h ARG 18 N 0.06 0.26 -0.59 1.13 2.43 -1.49 0.35 114.38 116.53 1r8p h ARG 18 Ca 0.05 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1r8p h ARG 18 Cb 0.05 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1r8p h ARG 18 CO -0.08 0.17 0.15 -0.92 -1.51 0.00 0.00 179.97 177.78 1r8p h TYR 19 N 0.27 0.99 -0.74 2.20 3.20 -1.49 -2.57 116.97 118.84 1r8p h TYR 19 Ca 0.73 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 62.54 1r8p h TYR 19 Cb 1.90 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.85 1r8p h TYR 19 CO -0.01 0.84 0.48 0.00 -1.64 0.00 0.00 178.16 177.84 1r8p h ARG 20 N 0.86 0.76 0.00 1.82 3.08 -0.29 0.15 114.38 120.76 1r8p h ARG 20 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1r8p h ARG 20 Cb 0.35 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1r8p h ARG 20 CO 0.00 0.51 0.00 0.74 -1.07 0.00 0.00 179.97 180.15 1r8p h PHE 21 N 0.79 0.00 -0.14 3.04 0.04 -1.21 -2.90 116.94 116.56 1r8p h PHE 21 Ca 0.32 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1r8p h PHE 21 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1r8p h PHE 21 CO -0.00 0.00 0.06 0.87 -0.60 0.00 0.00 178.31 178.63 1r8p h LYS 22 N 0.00 0.21 0.00 1.51 1.79 -0.62 -2.48 116.57 116.98 1r8p h LYS 22 Ca 0.00 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 1r8p h LYS 22 Cb 0.31 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1r8p h LYS 22 CO 0.00 0.31 -0.29 0.87 -1.08 0.00 0.00 179.45 179.26 1r8p h LYS 23 N 0.07 0.00 -1.09 3.15 1.79 -1.61 -3.05 116.57 115.83 1r8p h LYS 23 Ca 0.05 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.07 1r8p h LYS 23 Cb 0.18 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.60 1r8p h LYS 23 CO -0.00 0.29 0.57 0.72 -1.08 0.00 0.00 179.45 179.94 1r8p n HIS 24 N -3.31 2.39 0.23 -1.35 8.25 -0.98 -4.53 115.22 115.92 1r8p n HIS 24 Ca 0.01 -1.93 0.18 0.00 -0.26 0.00 0.00 57.72 55.72 1r8p n HIS 24 Cb 0.53 -0.96 0.86 0.00 1.12 0.00 0.00 29.99 31.55 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 -3.66 4.47 0.00 0.00 5.66 -1.26 -4.23 114.28 115.26 1r8p n THR 26 Ca 0.01 -4.52 0.00 0.00 -3.05 0.00 0.00 64.05 56.49 1r8p n THR 26 Cb 0.31 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.58 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 0.17 0.00 -4.82 1.09 4.77 -0.88 -5.11 117.00 112.22 1r8p n LEU 27 Ca 0.52 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.28 1r8p n LEU 27 Cb 0.30 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1r8p n LEU 27 CO 0.50 0.00 -0.09 -0.72 -1.33 0.00 0.00 177.39 175.75 1r8p s TYR 28 N -1.00 2.75 -0.23 -1.77 -0.85 -1.26 -4.77 117.35 110.21 1r8p s TYR 28 Ca 0.00 -0.43 0.07 0.00 -0.52 0.00 0.00 57.07 56.19 1r8p s TYR 28 Cb 0.00 -1.92 -0.19 0.00 0.38 0.00 0.00 41.96 40.23 1r8p s TYR 28 CO 0.00 0.11 -0.12 2.41 -1.52 0.00 0.00 175.55 176.43 1r8p n THR 29 N -1.36 1.41 -3.59 -3.49 -1.04 0.20 -4.93 114.28 101.47 1r8p n THR 29 Ca -0.00 -0.65 -0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1r8p n THR 29 Cb 0.61 -1.08 -0.04 0.00 -1.82 0.00 0.00 70.33 68.01 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 -0.00 2.41 0.00 -1.22 -4.99 121.76 113.38 1r8p s ALA 30 Ca -0.26 2.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.80 1r8p s ALA 30 Cb 0.08 -1.83 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 1r8p s ALA 30 CO 0.66 -0.98 0.55 0.54 0.00 0.00 0.00 175.76 176.53 1r8p s VAL 31 N 2.89 4.92 0.12 0.00 0.11 -1.26 -2.99 120.40 124.20 1r8p s VAL 31 Ca -0.03 1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 60.13 1r8p s VAL 31 Cb -0.12 -3.88 -0.05 0.00 -1.53 0.00 0.00 36.38 30.79 1r8p s VAL 31 CO -0.19 0.46 0.34 -0.94 -3.33 0.00 0.00 175.10 171.44 1r8p s SER 32 N -0.40 6.47 0.96 3.54 1.04 -1.10 -5.06 113.70 119.15 1r8p s SER 32 Ca 0.29 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 57.14 1r8p s SER 32 Cb -0.18 -2.07 0.17 0.00 0.10 0.00 0.00 66.02 64.04 1r8p s SER 32 CO 0.16 0.08 1.12 -0.55 0.98 0.00 0.00 173.24 175.03 1r8p s SER 33 N -2.43 2.61 0.08 7.02 0.15 -1.26 -4.54 113.70 115.34 1r8p s SER 33 Ca 0.40 2.02 -0.31 0.00 0.70 0.00 0.00 55.95 58.75 1r8p s SER 33 Cb -0.12 -2.50 -0.08 0.00 -1.71 0.00 0.00 66.02 61.61 1r8p s SER 33 CO 0.25 -3.27 1.47 -0.89 1.20 0.00 0.00 173.24 172.00 1r8p s THR 34 N -2.63 3.26 0.36 6.45 2.01 -1.26 -4.76 115.64 119.06 1r8p s THR 34 Ca 0.67 0.82 0.01 0.00 0.31 0.00 0.00 61.69 63.50 1r8p s THR 34 Cb -0.23 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1r8p s THR 34 CO 0.59 0.04 0.45 -1.66 -0.69 0.00 0.00 174.62 173.34 1r8p s TRP 35 N 1.72 1.30 0.27 4.92 1.48 -0.42 -4.93 118.94 123.28 1r8p s TRP 35 Ca 0.67 -1.44 -0.21 0.00 -1.06 0.00 0.00 56.10 54.07 1r8p s TRP 35 Cb -0.37 -0.24 0.05 0.00 -1.16 0.00 0.00 33.47 31.75 1r8p s TRP 35 CO 0.30 -1.11 0.84 -1.58 -4.06 0.00 0.00 176.95 171.34 1r8p s HIS 36 N -3.00 -0.05 -0.91 1.66 2.46 -1.26 0.16 115.29 114.35 1r8p s HIS 36 Ca 0.33 -0.43 -0.24 0.00 0.47 0.00 0.00 55.06 55.19 1r8p s HIS 36 Cb -0.00 0.73 0.03 0.00 -0.13 0.00 0.00 32.58 33.21 1r8p s HIS 36 CO 0.24 -1.20 1.46 -1.58 -2.47 0.00 0.00 174.74 171.19 1r8p s TRP 37 N -3.05 2.35 0.66 3.88 0.23 -1.26 -4.99 118.94 116.76 1r8p s TRP 37 Ca 0.14 -0.40 -0.13 0.00 -2.03 0.00 0.00 56.10 53.68 1r8p s TRP 37 Cb -0.04 -4.59 -0.01 0.00 0.03 0.00 0.00 33.47 28.86 1r8p s TRP 37 CO 0.07 -1.98 1.06 -0.08 0.96 0.00 0.00 176.95 176.98 1r8p s THR 38 N 5.85 3.87 -0.00 2.01 -1.32 -1.26 -5.04 115.64 119.74 1r8p s THR 38 Ca 0.46 0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 61.37 1r8p s THR 38 Cb -0.03 -3.35 0.10 0.00 -1.51 0.00 0.00 72.50 67.71 1r8p s THR 38 CO -0.01 -0.68 1.09 -0.83 -2.21 0.00 0.00 174.62 171.99 1r8p s GLY 39 N -3.31 -0.35 0.21 6.08 0.00 -1.26 -5.03 107.32 103.67 1r8p s GLY 39 Ca 0.61 0.80 -0.09 0.00 0.00 0.00 0.00 44.72 46.04 1r8p s GLY 39 CO 0.47 0.22 1.76 0.84 0.00 0.00 0.00 173.10 176.39 1r8p h HIS 40 N 2.00 0.47 -3.63 1.90 -0.00 -2.07 -3.36 115.15 110.46 1r8p h HIS 40 Ca -0.22 0.03 -0.68 0.00 -0.00 0.00 0.00 60.37 59.50 1r8p h HIS 40 Cb 1.21 -0.12 -0.31 0.00 -0.00 0.00 0.00 27.41 28.20 1r8p h HIS 40 CO 0.32 0.15 -0.69 -0.80 -0.00 0.00 0.00 177.93 176.90 1r8p s ASN 41 N -5.43 4.78 0.11 3.26 0.01 -1.26 -5.10 114.94 111.31 1r8p s ASN 41 Ca -0.13 -0.99 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 1r8p s ASN 41 Cb 0.17 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1r8p s ASN 41 CO 0.75 -0.20 0.00 0.52 -1.51 0.00 0.00 177.10 176.65 1r8p n VAL 42 N 4.71 0.00 0.03 1.60 0.31 -1.26 -5.10 118.33 118.63 1r8p n VAL 42 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1r8p n VAL 42 Cb 0.46 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 -0.72 0.00 0.00 5.55 4.81 -1.26 -5.14 118.16 121.40 1r8p n LYS 43 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1r8p n LYS 43 Cb 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 34.99 1r8p n LYS 43 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1r8p n HIS 44 N -2.76 0.00 -2.74 5.64 -0.00 -1.26 -5.10 115.22 109.00 1r8p n HIS 44 Ca 0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1r8p n HIS 44 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1r8p n HIS 44 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1r8p s LYS 45 N 1.14 3.72 -0.04 1.57 1.02 -1.26 -4.83 119.74 121.06 1r8p s LYS 45 Ca 0.00 0.48 0.24 0.00 0.02 0.00 0.00 55.97 56.70 1r8p s LYS 45 Cb 0.00 -3.87 0.42 0.00 -0.52 0.00 0.00 37.83 33.86 1r8p s LYS 45 CO 0.00 -1.17 1.16 -1.13 -0.92 0.00 0.00 175.35 173.29 1r8p n SER 46 N 7.23 0.93 -3.60 2.83 3.41 -1.26 -3.45 113.62 119.71 1r8p n SER 46 Ca 0.09 -2.01 -0.33 0.00 -0.26 0.00 0.00 58.87 56.36 1r8p n SER 46 Cb 0.48 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r8p n ALA 47 N 0.29 -3.44 -3.02 7.33 0.00 -1.26 -4.55 120.51 115.86 1r8p n ALA 47 Ca 0.04 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1r8p n ALA 47 Cb 1.07 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.72 0.07 0.44 0.00 1.01 0.42 -4.21 121.20 117.21 1r8p s ILE 48 Ca 0.45 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.59 1r8p s ILE 48 Cb -0.36 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1r8p s ILE 48 CO 0.61 -0.30 0.10 0.54 0.00 0.00 0.00 174.94 175.88 1r8p s VAL 49 N -0.96 0.76 0.01 2.92 0.11 -1.22 -1.30 120.40 120.71 1r8p s VAL 49 Ca -0.11 -2.00 -0.09 0.00 -2.93 0.00 0.00 61.98 56.85 1r8p s VAL 49 Cb -0.06 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 1r8p s VAL 49 CO 0.00 0.00 0.18 -0.89 -3.33 0.00 0.00 175.10 171.06 1r8p s THR 50 N -3.11 0.09 -0.04 5.04 2.01 -1.26 -3.36 115.64 115.00 1r8p s THR 50 Ca 0.19 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1r8p s THR 50 Cb 0.02 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.97 1r8p s THR 50 CO 0.11 -0.39 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.87 1r8p s LEU 51 N -1.56 1.21 -0.14 4.42 1.43 -1.13 -2.72 118.68 120.20 1r8p s LEU 51 Ca -0.12 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1r8p s LEU 51 Cb -0.06 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 1r8p s LEU 51 CO 0.01 -0.08 0.22 -0.89 0.23 0.00 0.00 176.35 175.84 1r8p s THR 52 N 1.04 5.36 0.13 5.49 2.01 -1.16 -1.87 115.64 126.63 1r8p s THR 52 Ca -0.09 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.37 1r8p s THR 52 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1r8p s THR 52 CO -0.01 0.50 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.03 1r8p s TYR 53 N -0.24 2.74 -1.15 4.92 1.51 -1.11 0.58 117.35 124.62 1r8p s TYR 53 Ca 0.15 -0.16 0.25 0.00 -1.01 0.00 0.00 57.07 56.29 1r8p s TYR 53 Cb -0.13 -1.40 1.12 0.00 -0.11 0.00 0.00 41.96 41.44 1r8p s TYR 53 CO 0.04 0.46 1.80 -0.25 -1.11 0.00 0.00 175.55 176.49 1r8p n ASP 54 N 0.44 0.00 -3.55 2.29 8.00 -1.26 -3.79 116.55 118.69 1r8p n ASP 54 Ca -0.12 0.30 -0.07 0.00 0.71 0.00 0.00 54.79 55.61 1r8p n ASP 54 Cb 0.53 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.85 -0.28 0.13 -2.24 1.04 -1.26 -4.94 113.70 103.29 1r8p s SER 55 Ca 0.16 -0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.43 1r8p s SER 55 Cb 0.16 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1r8p s SER 55 CO 0.42 -0.53 1.51 -0.33 0.98 0.00 0.00 173.24 175.30 1r8p h GLU 56 N 2.00 0.81 -0.16 4.02 5.08 -1.96 -2.64 114.58 121.74 1r8p h GLU 56 Ca -0.19 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1r8p h GLU 56 Cb 1.22 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1r8p h GLU 56 CO 0.28 0.98 -0.19 2.35 -1.00 0.00 0.00 179.01 181.43 1r8p h TRP 57 N 0.62 -0.48 -0.17 4.33 2.91 -2.01 0.10 115.95 121.25 1r8p h TRP 57 Ca 0.09 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.17 1r8p h TRP 57 Cb 0.72 0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 1r8p h TRP 57 CO 0.06 -0.26 0.12 0.37 -1.03 0.00 0.00 178.44 177.70 1r8p h GLN 58 N -0.22 0.07 -0.14 2.65 4.15 -1.94 -2.31 115.11 117.36 1r8p h GLN 58 Ca 0.11 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1r8p h GLN 58 Cb 0.38 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1r8p h GLN 58 CO -0.29 0.05 0.06 -0.09 -1.93 0.00 0.00 178.83 176.62 1r8p h ARG 59 N 0.07 0.13 0.00 1.69 2.43 -0.42 -1.66 114.38 116.63 1r8p h ARG 59 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1r8p h ARG 59 Cb 0.23 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1r8p h ARG 59 CO -0.01 0.09 -0.04 0.38 -1.51 0.00 0.00 179.97 178.88 1r8p h ASP 60 N 0.14 0.00 0.15 -3.80 3.04 -1.05 -2.66 116.42 112.23 1r8p h ASP 60 Ca 0.06 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.84 1r8p h ASP 60 Cb 0.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1r8p h ASP 60 CO -0.05 0.04 -0.07 1.56 -2.04 0.00 0.00 179.24 178.68 1r8p h GLN 61 N 0.00 -0.19 -0.51 4.15 4.20 -1.24 -2.44 115.11 119.08 1r8p h GLN 61 Ca -0.00 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.79 1r8p h GLN 61 Cb 0.09 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 1r8p h GLN 61 CO 0.00 0.11 0.20 0.35 -0.67 0.00 0.00 178.83 178.83 1r8p h PHE 62 N -0.49 0.36 -0.00 2.96 3.04 -1.25 0.18 116.94 121.73 1r8p h PHE 62 Ca -0.02 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1r8p h PHE 62 Cb 0.39 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 1r8p h PHE 62 CO 0.02 0.13 0.01 -0.07 -2.02 0.00 0.00 178.31 176.38 1r8p h LEU 63 N 0.39 0.00 0.00 0.59 3.38 -1.43 0.57 115.31 118.81 1r8p h LEU 63 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1r8p h LEU 63 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r8p h LEU 63 CO -0.23 0.00 -0.78 -1.28 0.09 0.00 0.00 178.44 176.24 1r8p h SER 64 N 0.00 0.00 0.39 -0.43 0.87 -0.17 -3.32 113.55 110.89 1r8p h SER 64 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 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 -0.00 0.05 -1.08 0.00 -0.53 0.00 0.00 176.83 175.27 1r8p n GLN 65 N -2.43 0.30 -4.51 2.24 1.13 0.11 -4.88 117.38 109.34 1r8p n GLN 65 Ca 0.02 -0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1r8p n GLN 65 Cb 0.50 -1.59 -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 -3.21 0.97 -0.25 5.09 -7.23 -0.69 -5.10 120.40 109.99 1r8p s VAL 66 Ca 0.03 -0.45 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 1r8p s VAL 66 Cb 0.14 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1r8p s VAL 66 CO 0.81 0.30 0.76 -0.75 -0.31 0.00 0.00 175.10 175.91 1r8p s LYS 67 N 0.23 4.16 -0.58 4.82 2.47 -1.26 -4.73 119.74 124.86 1r8p s LYS 67 Ca -0.05 0.81 -0.22 0.00 -1.56 0.00 0.00 55.97 54.95 1r8p s LYS 67 Cb -0.10 -3.65 0.06 0.00 -1.46 0.00 0.00 37.83 32.68 1r8p s LYS 67 CO 0.01 -0.48 0.87 0.42 0.16 0.00 0.00 175.35 176.33 1r8p s ILE 68 N 2.72 4.49 0.72 5.43 -1.09 -1.26 -5.01 121.20 127.20 1r8p s ILE 68 Ca 0.32 -0.15 -0.17 0.00 -2.23 0.00 0.00 60.65 58.42 1r8p s ILE 68 Cb -0.15 -4.53 -0.15 0.00 -1.58 0.00 0.00 42.46 36.04 1r8p s ILE 68 CO 0.08 -1.16 -0.42 -0.81 -1.23 0.00 0.00 174.94 171.40 1r8p n PRO 69 N 7.21 0.00 0.13 2.79 -0.04 -1.26 -4.77 135.00 139.07 1r8p n PRO 69 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1r8p n PRO 69 Cb 0.46 -0.99 0.50 0.00 -0.04 0.00 0.00 33.50 33.42 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 1.93 0.21 0.15 0.54 5.02 -1.26 -2.31 118.16 122.44 1r8p n LYS 70 Ca 0.04 0.42 0.12 0.00 -2.02 0.00 0.00 58.31 56.87 1r8p n LYS 70 Cb 0.51 -1.89 0.12 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.00 -3.53 -0.18 2.02 -1.96 -3.44 112.91 105.83 1r8p h THR 71 Ca 0.00 -0.93 -0.61 0.00 0.77 0.00 0.00 66.41 65.64 1r8p h THR 71 Cb 0.38 1.70 -0.12 0.00 -1.74 0.00 0.00 68.15 68.37 1r8p h THR 71 CO 0.00 0.00 -0.15 -0.63 0.37 0.00 0.00 175.52 175.11 1r8p s ILE 72 N -3.26 5.16 -0.07 3.11 1.01 -0.98 -4.75 121.20 121.43 1r8p s ILE 72 Ca 0.04 0.75 -0.14 0.00 0.00 0.00 0.00 60.65 61.31 1r8p s ILE 72 Cb 0.08 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1r8p s ILE 72 CO 0.72 0.20 0.35 -0.89 0.00 0.00 0.00 174.94 175.32 1r8p s THR 73 N 1.62 5.18 0.64 2.92 2.01 -1.25 -4.77 115.64 121.98 1r8p s THR 73 Ca 0.20 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.88 1r8p s THR 73 Cb -0.15 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.76 1r8p s THR 73 CO 0.09 0.51 0.90 -0.69 -0.69 0.00 0.00 174.62 174.74 1r8p s VAL 74 N -0.53 2.43 0.03 3.82 1.01 -1.26 -3.49 120.40 122.41 1r8p s VAL 74 Ca 0.21 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1r8p s VAL 74 Cb -0.15 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1r8p s VAL 74 CO 0.10 0.00 0.05 -0.44 0.00 0.00 0.00 175.10 174.81 1r8p s SER 75 N -4.53 0.19 -0.03 3.32 0.01 -0.90 -4.86 113.70 106.91 1r8p s SER 75 Ca 0.60 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.39 1r8p s SER 75 Cb -0.09 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.32 1r8p s SER 75 CO 0.42 -0.42 -0.08 0.42 0.41 0.00 0.00 173.24 173.98 1r8p s THR 76 N -2.12 0.70 0.01 1.44 -4.23 -1.26 -3.55 115.64 106.63 1r8p s THR 76 Ca -0.09 -0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.01 1r8p s THR 76 Cb -0.04 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.19 1r8p s THR 76 CO -0.03 0.23 0.44 0.61 -0.54 0.00 0.00 174.62 175.33 1r8p n GLY 77 N 3.36 0.65 3.19 3.99 0.00 -1.24 -5.03 105.19 110.11 1r8p n GLY 77 Ca -0.19 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.26 -0.06 0.47 1.61 0.08 -1.26 -2.85 117.98 112.71 1r8p s PHE 78 Ca 0.10 0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.19 1r8p s PHE 78 Cb -0.01 0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.43 1r8p s PHE 78 CO 0.00 -0.38 0.01 -1.64 -0.10 0.00 0.00 175.22 173.11 1r8p s MET 79 N -1.75 2.10 -0.19 0.44 -1.94 -0.96 -4.93 119.30 112.07 1r8p s MET 79 Ca -0.11 -2.27 -0.05 0.00 -1.71 0.00 0.00 55.69 51.55 1r8p s MET 79 Cb -0.04 -1.59 0.07 0.00 2.01 0.00 0.00 34.83 35.28 1r8p s MET 79 CO 0.01 -0.23 0.11 0.45 -0.01 0.00 0.00 175.02 175.35 1r8p s SER 80 N -3.81 2.36 0.00 3.03 0.15 -1.26 -3.40 113.70 110.77 1r8p s SER 80 Ca 0.18 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1r8p s SER 80 Cb 0.05 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1r8p s SER 80 CO 0.10 -0.36 0.00 -0.38 1.20 0.00 0.00 173.24 173.80