#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8p n THR 2 N 0.00 0.03 -0.94 2.03 -1.04 -1.22 -4.64 114.28 108.49 1r8p n THR 2 Ca 0.00 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.05 61.56 1r8p n THR 2 Cb 0.00 -0.91 0.13 0.00 -1.82 0.00 0.00 70.33 67.73 1r8p n THR 2 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1r8p n PRO 3 N 8.15 -0.08 -4.10 -2.82 -0.04 -1.26 -3.36 135.00 131.49 1r8p n PRO 3 Ca 0.55 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1r8p n PRO 3 Cb 0.09 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.30 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 -2.28 0.03 -0.10 0.52 -5.25 -1.24 -2.30 121.20 110.58 1r8p s ILE 4 Ca 0.66 -1.73 -0.05 0.00 -0.99 0.00 0.00 60.65 58.54 1r8p s ILE 4 Cb -0.26 -2.23 0.05 0.00 2.95 0.00 0.00 42.46 42.96 1r8p s ILE 4 CO 0.58 -0.14 0.23 0.54 -1.79 0.00 0.00 174.94 174.37 1r8p s VAL 5 N -4.07 -0.05 -0.22 8.37 0.11 -1.01 -3.84 120.40 119.68 1r8p s VAL 5 Ca 0.29 0.16 -0.07 0.00 -2.93 0.00 0.00 61.98 59.42 1r8p s VAL 5 Cb 0.05 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 1r8p s VAL 5 CO 0.07 0.06 0.05 -1.00 -3.33 0.00 0.00 175.10 170.96 1r8p s HIS 6 N 1.27 3.10 0.06 1.54 3.76 -1.24 -2.53 115.29 121.25 1r8p s HIS 6 Ca -0.09 -0.34 0.07 0.00 -0.15 0.00 0.00 55.06 54.54 1r8p s HIS 6 Cb -0.11 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 1r8p s HIS 6 CO -0.08 -0.24 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.92 1r8p s LEU 7 N 1.24 2.84 0.14 0.89 1.43 -1.20 -2.49 118.68 121.53 1r8p s LEU 7 Ca 0.04 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1r8p s LEU 7 Cb -0.15 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1r8p s LEU 7 CO 0.03 0.23 0.10 -0.75 0.23 0.00 0.00 176.35 176.19 1r8p s LYS 8 N -1.73 0.98 0.00 1.70 2.20 -1.24 -2.78 119.74 118.88 1r8p s LYS 8 Ca 0.17 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.38 1r8p s LYS 8 Cb -0.11 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1r8p s LYS 8 CO 0.09 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1r8p n GLY 9 N -0.13 -0.59 3.77 5.54 0.00 -1.26 -3.64 105.19 108.89 1r8p n GLY 9 Ca -0.05 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 6.29 0.02 1.61 1.01 -1.26 -4.62 116.67 115.71 1r8p s ASP 10 Ca 0.00 2.72 -0.05 0.00 0.71 0.00 0.00 52.55 55.93 1r8p s ASP 10 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1r8p s ASP 10 CO 0.00 -0.87 1.08 0.00 0.21 0.00 0.00 175.17 175.59 1r8p h ALA 11 N 2.70 -0.56 -0.93 5.23 0.00 -1.99 -1.38 119.26 122.33 1r8p h ALA 11 Ca -0.50 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.67 1r8p h ALA 11 Cb 1.25 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 19.46 1r8p h ALA 11 CO 0.63 -0.59 0.30 -0.91 0.00 0.00 0.00 179.25 178.67 1r8p h ASN 12 N -0.10 0.06 -0.16 0.00 -0.26 -2.01 1.26 115.58 114.37 1r8p h ASN 12 Ca 0.00 0.21 0.05 0.00 -0.56 0.00 0.00 56.30 56.00 1r8p h ASN 12 Cb 0.11 0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1r8p h ASN 12 CO -0.05 -0.20 0.13 0.74 -1.06 0.00 0.00 177.43 176.99 1r8p h THR 13 N 0.19 0.77 0.00 2.81 2.02 -1.66 -0.57 112.91 116.47 1r8p h THR 13 Ca 0.62 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.62 1r8p h THR 13 Cb 1.32 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1r8p h THR 13 CO -0.69 0.00 -0.84 -0.07 0.37 0.00 0.00 175.52 174.29 1r8p h LEU 14 N 0.00 0.00 -1.54 2.58 3.38 0.26 -3.19 115.31 116.79 1r8p h LEU 14 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1r8p h LEU 14 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1r8p h LEU 14 CO -0.00 0.84 0.31 0.50 0.09 0.00 0.00 178.44 180.18 1r8p h LYS 15 N 0.00 0.61 -0.26 1.13 3.64 -0.74 -2.14 116.57 118.81 1r8p h LYS 15 Ca -0.01 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1r8p h LYS 15 Cb 1.51 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1r8p h LYS 15 CO 0.11 0.40 -0.45 0.00 -2.27 0.00 0.00 179.45 177.25 1r8p h LEU 17 N 0.53 0.17 -1.66 0.00 3.38 -1.45 -1.82 115.31 114.46 1r8p h LEU 17 Ca 0.03 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.35 1r8p h LEU 17 Cb 0.99 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1r8p h LEU 17 CO 0.09 0.13 0.80 -0.09 0.09 0.00 0.00 178.44 179.46 1r8p h ARG 18 N 0.24 0.17 -0.61 1.13 2.43 -1.53 0.42 114.38 116.63 1r8p h ARG 18 Ca 0.09 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1r8p h ARG 18 Cb 0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1r8p h ARG 18 CO -0.06 0.11 0.11 -0.92 -1.51 0.00 0.00 179.97 177.70 1r8p h TYR 19 N 0.17 1.02 -0.13 2.20 5.03 -1.42 -2.61 116.97 121.23 1r8p h TYR 19 Ca 0.63 -0.12 -0.12 0.00 2.58 0.00 0.00 58.73 61.70 1r8p h TYR 19 Cb 2.06 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 40.04 1r8p h TYR 19 CO -0.00 0.86 -0.43 0.00 -1.32 0.00 0.00 178.16 177.26 1r8p h ARG 20 N 0.92 0.30 -0.10 1.82 3.08 -0.20 -2.89 114.38 117.31 1r8p h ARG 20 Ca 0.19 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1r8p h ARG 20 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1r8p h ARG 20 CO 0.01 0.69 -0.27 0.74 -1.07 0.00 0.00 179.97 180.06 1r8p h PHE 21 N 0.25 0.21 0.00 3.04 0.04 -1.11 -2.10 116.94 117.27 1r8p h PHE 21 Ca 0.02 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1r8p h PHE 21 Cb 0.87 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1r8p h PHE 21 CO 0.02 0.45 0.00 0.87 -0.60 0.00 0.00 178.31 179.05 1r8p h LYS 22 N 0.17 0.00 -0.05 1.51 1.79 -1.27 -2.22 116.57 116.51 1r8p h LYS 22 Ca 0.03 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.27 1r8p h LYS 22 Cb 0.58 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1r8p h LYS 22 CO 0.04 0.00 -0.86 0.87 -1.08 0.00 0.00 179.45 178.42 1r8p h LYS 23 N 0.00 0.67 -3.74 3.15 1.79 -1.48 -3.35 116.57 113.61 1r8p h LYS 23 Ca 0.00 -0.65 -0.78 0.00 -2.18 0.00 0.00 60.65 57.04 1r8p h LYS 23 Cb 0.14 0.17 -0.23 0.00 -1.58 0.00 0.00 32.23 30.74 1r8p h LYS 23 CO 0.00 1.25 1.08 0.72 -1.08 0.00 0.00 179.45 181.42 1r8p n HIS 24 N -3.97 4.09 0.00 -1.35 8.25 -0.83 -4.83 115.22 116.59 1r8p n HIS 24 Ca -0.10 -3.26 0.00 0.00 -0.26 0.00 0.00 57.72 54.11 1r8p n HIS 24 Cb 0.79 -1.79 0.00 0.00 1.12 0.00 0.00 29.99 30.11 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 -1.28 0.23 -0.04 0.00 5.66 -1.26 -4.87 114.28 112.72 1r8p n THR 26 Ca 0.00 -1.27 -0.15 0.00 -3.05 0.00 0.00 64.05 59.58 1r8p n THR 26 Cb 0.03 1.02 -0.14 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.23 1.78 -4.85 1.09 4.77 -0.94 -4.96 117.00 114.11 1r8p n LEU 27 Ca 0.03 0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 1r8p n LEU 27 Cb 1.05 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1r8p n LEU 27 CO -0.03 0.67 -0.03 -0.72 -1.33 0.00 0.00 177.39 175.95 1r8p s TYR 28 N -2.56 2.70 -0.22 -1.77 -0.85 -1.26 -4.67 117.35 108.72 1r8p s TYR 28 Ca -0.17 -0.50 0.11 0.00 -0.52 0.00 0.00 57.07 55.99 1r8p s TYR 28 Cb 0.07 -2.12 -0.21 0.00 0.38 0.00 0.00 41.96 40.08 1r8p s TYR 28 CO 0.77 -0.05 -0.06 2.41 -1.52 0.00 0.00 175.55 177.09 1r8p n THR 29 N -1.49 1.42 -3.54 -3.49 -1.04 0.51 -4.79 114.28 101.86 1r8p n THR 29 Ca 0.03 -0.73 -0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1r8p n THR 29 Cb 0.62 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.22 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 -2.50 -2.07 -0.53 2.41 0.00 -1.07 -4.98 121.76 113.02 1r8p s ALA 30 Ca -0.21 2.21 -0.21 0.00 0.00 0.00 0.00 51.96 53.75 1r8p s ALA 30 Cb 0.07 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.39 1r8p s ALA 30 CO 0.72 -1.02 0.77 0.54 0.00 0.00 0.00 175.76 176.77 1r8p s VAL 31 N 2.88 4.66 0.67 0.00 0.11 -1.26 -2.34 120.40 125.12 1r8p s VAL 31 Ca 0.00 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.76 1r8p s VAL 31 Cb -0.13 -4.41 0.01 0.00 -1.53 0.00 0.00 36.38 30.33 1r8p s VAL 31 CO -0.19 -0.94 1.12 -0.94 -3.33 0.00 0.00 175.10 170.82 1r8p s SER 32 N 2.75 4.93 1.01 3.54 1.04 -1.10 -4.99 113.70 120.88 1r8p s SER 32 Ca 0.22 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.59 1r8p s SER 32 Cb -0.16 -2.56 0.20 0.00 0.10 0.00 0.00 66.02 63.60 1r8p s SER 32 CO 0.15 -1.75 1.10 -0.94 0.98 0.00 0.00 173.24 172.78 1r8p s SER 33 N -2.52 2.21 0.04 7.02 1.04 -1.26 -4.56 113.70 115.67 1r8p s SER 33 Ca 0.68 1.89 -0.30 0.00 0.48 0.00 0.00 55.95 58.69 1r8p s SER 33 Cb -0.22 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.38 1r8p s SER 33 CO 0.43 -3.49 1.51 -0.89 0.98 0.00 0.00 173.24 171.77 1r8p s THR 34 N -2.59 3.38 0.27 2.02 2.01 -1.26 -4.63 115.64 114.83 1r8p s THR 34 Ca 0.67 0.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.44 1r8p s THR 34 Cb -0.23 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1r8p s THR 34 CO 0.60 0.00 0.36 -1.66 -0.69 0.00 0.00 174.62 173.23 1r8p s TRP 35 N 2.37 0.93 0.18 4.92 1.48 -0.34 -4.90 118.94 123.58 1r8p s TRP 35 Ca 0.68 -1.17 -0.09 0.00 -1.06 0.00 0.00 56.10 54.46 1r8p s TRP 35 Cb -0.36 -0.20 0.04 0.00 -1.16 0.00 0.00 33.47 31.79 1r8p s TRP 35 CO 0.29 -0.92 0.47 -2.39 -4.06 0.00 0.00 176.95 170.34 1r8p n HIS 36 N -0.42 -1.52 -2.30 1.66 1.44 -1.26 0.14 115.22 112.95 1r8p n HIS 36 Ca 0.01 -0.92 -0.32 0.00 -2.01 0.00 0.00 57.72 54.48 1r8p n HIS 36 Cb 0.63 0.45 -0.02 0.00 0.12 0.00 0.00 29.99 31.17 1r8p n HIS 36 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1r8p s TRP 37 N -4.85 3.41 0.00 -1.40 0.52 -1.26 -4.97 118.94 110.39 1r8p s TRP 37 Ca 0.10 1.46 0.00 0.00 0.02 0.00 0.00 56.10 57.67 1r8p s TRP 37 Cb -0.02 -2.81 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 1r8p s TRP 37 CO 0.05 -0.49 0.00 0.25 0.02 0.00 0.00 176.95 176.79 1r8p n THR 38 N -1.75 0.00 0.00 2.01 -2.24 -1.26 -4.43 114.28 106.61 1r8p n THR 38 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1r8p n THR 38 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.00 0.34 0.43 3.38 0.00 -1.26 -4.73 105.19 103.34 1r8p n GLY 39 Ca 0.00 -1.06 0.20 0.00 0.00 0.00 0.00 46.02 45.16 1r8p n GLY 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1r8p h HIS 40 N 0.00 0.00 -2.34 1.61 3.86 -2.02 -2.87 115.15 113.40 1r8p h HIS 40 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1r8p h HIS 40 Cb 0.00 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.08 1r8p h HIS 40 CO 0.00 0.00 -0.93 -1.71 0.86 0.00 0.00 177.93 176.15 1r8p n ASN 41 N -3.30 0.52 0.20 2.45 4.05 -1.26 -4.93 115.26 112.99 1r8p n ASN 41 Ca 0.11 -2.67 0.18 0.00 0.45 0.00 0.00 54.58 52.65 1r8p n ASN 41 Cb 0.95 -0.61 0.80 0.00 1.23 0.00 0.00 39.78 42.15 1r8p n ASN 41 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 1r8p h VAL 42 N 3.70 0.25 -3.27 3.44 -1.51 -1.85 -3.42 116.25 113.60 1r8p h VAL 42 Ca 0.19 0.00 -0.45 0.00 -1.23 0.00 0.00 66.70 65.21 1r8p h VAL 42 Cb 0.86 0.70 0.22 0.00 -2.13 0.00 0.00 31.29 30.94 1r8p h VAL 42 CO 0.48 0.00 -0.07 0.29 -1.23 0.00 0.00 177.57 177.04 1r8p n LYS 43 N -3.42 -2.19 -1.44 5.19 5.02 -1.26 -4.70 118.16 115.35 1r8p n LYS 43 Ca 0.03 -0.61 -0.56 0.00 -2.02 0.00 0.00 58.31 55.15 1r8p n LYS 43 Cb 0.47 -2.15 -0.09 0.00 -0.02 0.00 0.00 35.03 33.23 1r8p n LYS 43 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r8p n HIS 44 N -4.87 1.53 -0.02 2.13 8.25 -1.26 -4.78 115.22 116.20 1r8p n HIS 44 Ca 0.04 0.55 -0.06 0.00 -0.26 0.00 0.00 57.72 57.99 1r8p n HIS 44 Cb 0.54 -2.42 -0.02 0.00 1.12 0.00 0.00 29.99 29.22 1r8p n HIS 44 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1r8p n LYS 45 N 7.21 0.23 -3.08 -0.41 4.81 -1.26 -4.94 118.16 120.73 1r8p n LYS 45 Ca 0.43 0.09 -0.19 0.00 -0.87 0.00 0.00 58.31 57.77 1r8p n LYS 45 Cb 0.10 -0.90 -0.03 0.00 0.02 0.00 0.00 35.03 34.22 1r8p n LYS 45 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1r8p n SER 46 N -3.83 -0.50 -4.57 3.14 7.64 -1.26 -5.03 113.62 109.21 1r8p n SER 46 Ca -0.10 -2.92 -0.55 0.00 1.01 0.00 0.00 58.87 56.31 1r8p n SER 46 Cb 0.32 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 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 1.23 -1.91 -2.99 -0.43 0.00 -1.26 -4.30 120.51 110.85 1r8p n ALA 47 Ca 0.18 0.54 -0.12 0.00 0.00 0.00 0.00 53.44 54.04 1r8p n ALA 47 Cb 0.58 -1.97 -0.13 0.00 0.00 0.00 0.00 19.45 17.94 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 0.54 0.02 -0.25 0.00 1.01 0.37 -4.00 121.20 118.89 1r8p s ILE 48 Ca 0.88 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 1r8p s ILE 48 Cb -1.09 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 41.20 1r8p s ILE 48 CO 0.52 -0.08 -0.01 -0.69 0.00 0.00 0.00 174.94 174.68 1r8p s VAL 49 N -0.23 3.43 0.11 2.92 1.01 -1.12 -1.20 120.40 125.33 1r8p s VAL 49 Ca -0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1r8p s VAL 49 Cb -0.02 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 1r8p s VAL 49 CO 0.00 0.27 0.43 -0.89 0.00 0.00 0.00 175.10 174.90 1r8p s THR 50 N 1.45 5.07 -0.04 3.92 2.01 -1.26 -3.24 115.64 123.55 1r8p s THR 50 Ca 0.03 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1r8p s THR 50 Cb -0.16 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1r8p s THR 50 CO -0.02 0.20 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.32 1r8p s LEU 51 N -2.16 1.27 -0.12 4.42 1.02 -1.05 -2.73 118.68 119.34 1r8p s LEU 51 Ca 0.37 -0.09 -0.10 0.00 0.02 0.00 0.00 54.13 54.32 1r8p s LEU 51 Cb -0.13 -0.37 -0.05 0.00 0.02 0.00 0.00 46.19 45.67 1r8p s LEU 51 CO 0.20 -0.07 0.22 0.42 0.02 0.00 0.00 176.35 177.14 1r8p s THR 52 N 0.95 5.36 0.11 5.49 -4.23 -0.99 -2.42 115.64 119.91 1r8p s THR 52 Ca -0.11 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.86 1r8p s THR 52 Cb -0.14 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1r8p s THR 52 CO -0.01 0.54 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.27 1r8p s TYR 53 N -0.52 2.89 -1.00 3.99 1.51 -0.97 0.19 117.35 123.44 1r8p s TYR 53 Ca 0.16 -0.08 0.27 0.00 -1.01 0.00 0.00 57.07 56.41 1r8p s TYR 53 Cb -0.13 -1.48 0.90 0.00 -0.11 0.00 0.00 41.96 41.14 1r8p s TYR 53 CO 0.05 0.47 1.70 -3.47 -1.11 0.00 0.00 175.55 173.18 1r8p n ASP 54 N 0.52 0.23 -3.77 2.29 2.03 -1.26 -4.01 116.55 112.57 1r8p n ASP 54 Ca -0.11 0.16 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 1r8p n ASP 54 Cb 0.52 -0.16 -0.09 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.15 -0.00 1.67 0.01 -1.26 -4.97 113.70 105.98 1r8p s SER 55 Ca 0.13 0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.15 1r8p s SER 55 Cb 0.18 0.31 -0.15 0.00 0.21 0.00 0.00 66.02 66.57 1r8p s SER 55 CO 0.61 -0.47 1.10 -0.33 0.41 0.00 0.00 173.24 174.56 1r8p h GLU 56 N 3.80 -0.49 -0.88 12.44 5.08 -1.94 -2.84 114.58 129.74 1r8p h GLU 56 Ca -0.30 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1r8p h GLU 56 Cb 1.18 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1r8p h GLU 56 CO 0.41 -0.18 0.57 0.11 -1.00 0.00 0.00 179.01 178.92 1r8p h TRP 57 N -0.91 0.77 -0.16 4.33 0.09 -2.00 -1.48 115.95 116.59 1r8p h TRP 57 Ca -0.05 0.02 0.02 0.00 0.09 0.00 0.00 58.89 58.97 1r8p h TRP 57 Cb 0.54 -0.24 -0.02 0.00 0.08 0.00 0.00 29.16 29.52 1r8p h TRP 57 CO 0.02 0.28 0.03 0.37 0.09 0.00 0.00 178.44 179.24 1r8p h GLN 58 N 0.65 0.10 -0.68 0.12 4.15 -1.93 -1.87 115.11 115.65 1r8p h GLN 58 Ca 0.44 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.89 1r8p h GLN 58 Cb 0.76 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 1r8p h GLN 58 CO -0.20 0.06 0.45 -0.09 -1.93 0.00 0.00 178.83 177.12 1r8p h ARG 59 N 0.10 0.78 -0.71 1.69 2.43 -1.04 -1.99 114.38 115.63 1r8p h ARG 59 Ca 0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1r8p h ARG 59 Cb 0.06 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1r8p h ARG 59 CO -0.09 0.52 0.40 -0.44 -1.51 0.00 0.00 179.97 178.85 1r8p h ASP 60 N 0.80 0.88 -0.39 -3.80 3.32 -0.98 -2.55 116.42 113.70 1r8p h ASP 60 Ca 0.27 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1r8p h ASP 60 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1r8p h ASP 60 CO -0.08 0.72 -0.06 1.56 -1.72 0.00 0.00 179.24 179.66 1r8p h GLN 61 N 0.98 0.80 0.35 3.56 4.20 -0.91 -2.56 115.11 121.54 1r8p h GLN 61 Ca 0.25 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1r8p h GLN 61 Cb 0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1r8p h GLN 61 CO -0.04 0.85 -0.32 0.35 -0.67 0.00 0.00 178.83 178.99 1r8p h PHE 62 N 0.74 -0.88 0.00 2.96 3.04 -1.07 -0.73 116.94 120.99 1r8p h PHE 62 Ca 0.13 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1r8p h PHE 62 Cb 0.53 0.34 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1r8p h PHE 62 CO 0.03 -0.43 0.01 1.37 -2.02 0.00 0.00 178.31 177.26 1r8p h LEU 63 N -0.66 0.00 0.00 0.59 8.10 -1.56 0.02 115.31 121.80 1r8p h LEU 63 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 1r8p h LEU 63 Cb 0.56 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.78 1r8p h LEU 63 CO -0.02 0.00 -0.46 0.77 -4.11 0.00 0.00 178.44 174.62 1r8p h SER 64 N 0.00 0.00 0.00 0.17 4.64 -0.79 -3.38 113.55 114.19 1r8p h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r8p h SER 64 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1r8p h SER 64 CO 0.00 0.08 -0.63 0.00 -0.87 0.00 0.00 176.83 175.41 1r8p n GLN 65 N -2.96 0.40 -1.72 4.77 6.02 -0.05 -4.58 117.38 119.25 1r8p n GLN 65 Ca 0.02 0.31 -0.42 0.00 -0.01 0.00 0.00 57.00 56.90 1r8p n GLN 65 Cb 0.57 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.46 1r8p n GLN 65 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1r8p n VAL 66 N -4.12 3.39 -1.65 5.09 0.24 -0.92 -4.93 118.33 115.43 1r8p n VAL 66 Ca -0.09 -2.97 -0.61 0.00 -2.04 0.00 0.00 64.34 58.63 1r8p n VAL 66 Cb 0.33 -2.59 -0.09 0.00 -1.47 0.00 0.00 33.84 30.02 1r8p n VAL 66 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1r8p n LYS 67 N 6.18 0.65 -3.19 7.34 3.00 -1.26 -4.85 118.16 126.04 1r8p n LYS 67 Ca 0.52 0.23 -0.39 0.00 -0.00 0.00 0.00 58.31 58.67 1r8p n LYS 67 Cb 0.39 -1.88 -0.06 0.00 0.00 0.00 0.00 35.03 33.49 1r8p n LYS 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1r8p s ILE 68 N 4.01 4.92 1.23 3.15 2.07 -1.26 -5.05 121.20 130.27 1r8p s ILE 68 Ca 1.04 1.27 -0.18 0.00 -1.41 0.00 0.00 60.65 61.36 1r8p s ILE 68 Cb -1.24 -3.94 0.26 0.00 0.13 0.00 0.00 42.46 37.67 1r8p s ILE 68 CO 0.70 0.40 0.58 -0.81 -1.91 0.00 0.00 174.94 173.89 1r8p n PRO 69 N 2.86 -3.20 -0.01 3.50 -0.04 -1.26 -4.84 135.00 132.01 1r8p n PRO 69 Ca -0.06 -0.94 0.11 0.00 -0.04 0.00 0.00 63.50 62.57 1r8p n PRO 69 Cb 0.51 -1.77 0.60 0.00 -0.04 0.00 0.00 33.50 32.80 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 -3.77 1.14 0.05 0.54 3.00 -1.26 -3.47 118.16 114.39 1r8p n LYS 70 Ca 0.07 -0.21 -0.13 0.00 -0.00 0.00 0.00 58.31 58.05 1r8p n LYS 70 Cb 0.51 -1.35 -0.14 0.00 0.00 0.00 0.00 35.03 34.05 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 0.45 1.24 -3.54 3.15 1.35 -1.95 -3.44 112.91 110.17 1r8p h THR 71 Ca 0.00 -2.94 -0.61 0.00 -0.55 0.00 0.00 66.41 62.31 1r8p h THR 71 Cb 0.10 2.72 -0.12 0.00 -1.73 0.00 0.00 68.15 69.11 1r8p h THR 71 CO 0.00 0.80 -0.15 -0.63 -0.25 0.00 0.00 175.52 175.28 1r8p s ILE 72 N -2.64 5.16 -0.05 6.82 1.09 -1.23 -4.66 121.20 125.70 1r8p s ILE 72 Ca -0.06 0.74 -0.14 0.00 -1.10 0.00 0.00 60.65 60.10 1r8p s ILE 72 Cb 0.08 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.67 1r8p s ILE 72 CO 0.84 0.19 0.36 -0.89 -0.10 0.00 0.00 174.94 175.34 1r8p s THR 73 N 1.67 5.15 0.55 2.92 2.01 -1.24 -4.84 115.64 121.86 1r8p s THR 73 Ca 0.19 0.71 -0.01 0.00 0.31 0.00 0.00 61.69 62.89 1r8p s THR 73 Cb -0.15 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1r8p s THR 73 CO 0.09 0.55 0.80 0.54 -0.69 0.00 0.00 174.62 175.91 1r8p s VAL 74 N -0.78 3.16 0.05 3.82 0.11 -1.26 -3.58 120.40 121.92 1r8p s VAL 74 Ca 0.22 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1r8p s VAL 74 Cb -0.15 -3.22 -0.02 0.00 -1.53 0.00 0.00 36.38 31.46 1r8p s VAL 74 CO 0.11 -0.18 0.09 -0.44 -3.33 0.00 0.00 175.10 171.35 1r8p s SER 75 N -4.36 0.24 -0.03 3.54 0.01 -1.04 -4.89 113.70 107.17 1r8p s SER 75 Ca 0.55 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 57.14 1r8p s SER 75 Cb -0.10 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.39 1r8p s SER 75 CO 0.40 -0.59 -0.07 0.42 0.41 0.00 0.00 173.24 173.81 1r8p s THR 76 N -3.29 0.68 0.00 1.44 -4.23 -1.26 -3.62 115.64 105.37 1r8p s THR 76 Ca 0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1r8p s THR 76 Cb 0.03 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.23 1r8p s THR 76 CO -0.08 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1r8p n GLY 77 N 3.62 2.67 3.20 3.99 0.00 -1.25 -5.04 105.19 112.38 1r8p n GLY 77 Ca -0.21 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 -5.86 -0.03 0.03 1.61 0.08 -1.26 -3.59 117.98 108.97 1r8p s PHE 78 Ca 0.00 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.94 1r8p s PHE 78 Cb 0.00 0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.45 1r8p s PHE 78 CO 0.00 -0.43 -0.04 -1.64 -0.10 0.00 0.00 175.22 173.01 1r8p s MET 79 N -2.26 0.43 -0.30 0.44 -1.94 -1.21 -5.00 119.30 109.46 1r8p s MET 79 Ca -0.07 -0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 53.08 1r8p s MET 79 Cb -0.02 0.06 0.10 0.00 2.01 0.00 0.00 34.83 36.98 1r8p s MET 79 CO -0.02 -0.05 0.11 0.45 -0.01 0.00 0.00 175.02 175.50 1r8p s SER 80 N -1.89 3.79 0.00 3.03 0.15 -1.26 -3.37 113.70 114.15 1r8p s SER 80 Ca -0.09 -1.47 0.28 0.00 0.70 0.00 0.00 55.95 55.38 1r8p s SER 80 Cb -0.05 -0.67 1.15 0.00 -1.71 0.00 0.00 66.02 64.74 1r8p s SER 80 CO -0.03 -0.42 1.80 -0.38 1.20 0.00 0.00 173.24 175.41