#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 0.04 0.28 2.03 -4.23 -1.21 -5.04 115.64 107.51 1r8p s THR 2 Ca 0.00 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 1r8p s THR 2 Cb 0.00 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1r8p s THR 2 CO 0.00 -0.20 0.50 -2.16 -0.54 0.00 0.00 174.62 172.22 1r8p s PRO 3 N -0.66 3.56 0.17 3.99 0.04 -1.25 -2.80 135.00 138.04 1r8p s PRO 3 Ca -0.07 -0.18 -0.05 0.00 0.04 0.00 0.00 61.00 60.73 1r8p s PRO 3 Cb -0.04 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1r8p s PRO 3 CO 0.01 0.25 0.21 0.96 0.04 0.00 0.00 177.00 178.47 1r8p s ILE 4 N -2.08 0.06 -0.11 0.56 -4.36 -1.24 -3.09 121.20 110.94 1r8p s ILE 4 Ca 0.41 -1.66 -0.04 0.00 -0.26 0.00 0.00 60.65 59.10 1r8p s ILE 4 Cb -0.10 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.60 1r8p s ILE 4 CO 0.31 -0.27 0.22 -0.69 0.24 0.00 0.00 174.94 174.76 1r8p s VAL 5 N -4.03 -0.23 -0.36 8.37 1.01 -1.00 -3.84 120.40 120.31 1r8p s VAL 5 Ca 0.24 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1r8p s VAL 5 Cb 0.05 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 36.08 1r8p s VAL 5 CO 0.03 0.10 0.18 -1.00 0.00 0.00 0.00 175.10 174.41 1r8p s HIS 6 N 1.91 3.24 0.11 5.22 3.76 -1.23 -2.38 115.29 125.92 1r8p s HIS 6 Ca -0.03 -1.05 0.07 0.00 -0.15 0.00 0.00 55.06 53.91 1r8p s HIS 6 Cb -0.11 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1r8p s HIS 6 CO -0.08 -0.65 -0.10 -1.17 -0.85 0.00 0.00 174.74 171.89 1r8p s LEU 7 N 1.52 3.05 0.22 0.89 2.96 -1.23 -2.92 118.68 123.16 1r8p s LEU 7 Ca 0.01 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1r8p s LEU 7 Cb -0.19 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1r8p s LEU 7 CO 0.06 0.17 0.21 -0.75 -1.32 0.00 0.00 176.35 174.71 1r8p s LYS 8 N -2.30 1.29 0.00 1.98 2.20 -0.92 -3.20 119.74 118.80 1r8p s LYS 8 Ca 0.22 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 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 0.14 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1r8p n GLY 9 N -0.31 -1.20 3.76 5.54 0.00 -1.25 -3.15 105.19 108.57 1r8p n GLY 9 Ca 0.02 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.05 6.64 0.51 1.61 1.01 -1.26 -4.12 116.67 121.01 1r8p s ASP 10 Ca 0.00 2.73 0.29 0.00 0.71 0.00 0.00 52.55 56.28 1r8p s ASP 10 Cb 0.00 -2.64 1.40 0.00 1.01 0.00 0.00 42.92 42.69 1r8p s ASP 10 CO 0.00 -0.68 1.85 0.00 0.21 0.00 0.00 175.17 176.55 1r8p h ALA 11 N 4.28 2.75 0.23 5.23 0.00 -1.95 -1.84 119.26 127.96 1r8p h ALA 11 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1r8p h ALA 11 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1r8p h ALA 11 CO 0.72 -1.04 -0.11 -0.97 0.00 0.00 0.00 179.25 177.85 1r8p h ASN 12 N 0.10 -0.26 -0.01 0.00 -1.24 -2.00 -1.55 115.58 110.62 1r8p h ASN 12 Ca 0.48 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1r8p h ASN 12 Cb 1.73 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.85 1r8p h ASN 12 CO -0.06 0.23 0.11 0.74 -1.29 0.00 0.00 177.43 177.15 1r8p h THR 13 N -0.87 0.04 0.00 -3.57 2.02 -1.73 0.15 112.91 108.95 1r8p h THR 13 Ca -0.03 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.00 1r8p h THR 13 Cb 0.51 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1r8p h THR 13 CO 0.05 0.00 -1.38 0.18 0.37 0.00 0.00 175.52 174.74 1r8p n LEU 14 N -3.09 0.84 -0.27 2.58 4.77 -0.82 -3.95 117.00 117.07 1r8p n LEU 14 Ca -0.02 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.29 1r8p n LEU 14 Cb 0.18 0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1r8p n LEU 14 CO 0.19 0.11 1.17 0.11 -1.33 0.00 0.00 177.39 177.64 1r8p h LYS 15 N 0.00 0.93 -0.17 3.23 1.79 0.10 -2.13 116.57 120.31 1r8p h LYS 15 Ca -0.15 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.14 1r8p h LYS 15 Cb 1.51 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 1r8p h LYS 15 CO 0.04 0.61 -0.44 0.00 -1.08 0.00 0.00 179.45 178.58 1r8p h LEU 17 N 0.35 -0.47 -1.11 0.00 4.07 -1.52 -1.69 115.31 114.94 1r8p h LEU 17 Ca 0.02 0.03 0.13 0.00 0.08 0.00 0.00 57.88 58.15 1r8p h LEU 17 Cb 0.92 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1r8p h LEU 17 CO 0.08 -0.30 0.86 -0.09 -1.08 0.00 0.00 178.44 177.91 1r8p h ARG 18 N -0.46 0.00 -0.51 1.13 2.43 -1.49 0.40 114.38 115.88 1r8p h ARG 18 Ca -0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1r8p h ARG 18 Cb 0.39 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1r8p h ARG 18 CO 0.02 0.00 0.12 -0.92 -1.51 0.00 0.00 179.97 177.69 1r8p h TYR 19 N 0.00 0.86 0.00 2.20 3.20 -1.42 -2.25 116.97 119.55 1r8p h TYR 19 Ca 0.21 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1r8p h TYR 19 Cb 1.92 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 1r8p h TYR 19 CO 0.00 0.76 -0.10 0.00 -1.64 0.00 0.00 178.16 177.18 1r8p h ARG 20 N 0.71 0.00 0.00 1.82 3.08 -0.31 -0.95 114.38 118.73 1r8p h ARG 20 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 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 0.00 0.10 0.00 0.74 -1.07 0.00 0.00 179.97 179.74 1r8p h PHE 21 N 0.00 0.00 0.52 3.04 -1.00 -1.42 -2.33 116.94 115.75 1r8p h PHE 21 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1r8p h PHE 21 Cb 0.20 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.77 1r8p h PHE 21 CO 0.00 0.00 -0.25 0.87 -1.61 0.00 0.00 178.31 177.32 1r8p h LYS 22 N 0.00 -0.67 0.00 1.51 1.79 -1.19 -2.04 116.57 115.97 1r8p h LYS 22 Ca 0.00 0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 1r8p h LYS 22 Cb 0.28 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1r8p h LYS 22 CO 0.00 -0.38 -0.36 0.87 -1.08 0.00 0.00 179.45 178.50 1r8p h LYS 23 N -0.86 0.00 -1.08 3.15 6.56 -1.70 -3.09 116.57 119.54 1r8p h LYS 23 Ca -0.07 0.00 -0.43 0.00 -1.06 0.00 0.00 60.65 59.09 1r8p h LYS 23 Cb 0.60 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.03 1r8p h LYS 23 CO 0.12 0.36 0.55 0.72 -2.06 0.00 0.00 179.45 179.14 1r8p n HIS 24 N -3.35 2.34 0.26 -1.35 8.25 -0.89 -4.53 115.22 115.96 1r8p n HIS 24 Ca 0.01 -1.84 0.18 0.00 -0.26 0.00 0.00 57.72 55.81 1r8p n HIS 24 Cb 0.57 -0.92 0.91 0.00 1.12 0.00 0.00 29.99 31.68 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 -3.55 1.41 0.00 0.00 5.66 -1.26 -4.17 114.28 112.36 1r8p n THR 26 Ca -0.00 -0.99 -0.02 0.00 -3.05 0.00 0.00 64.05 59.99 1r8p n THR 26 Cb 0.26 0.17 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 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 1.09 0.68 -4.62 1.09 4.32 0.51 -4.95 117.00 115.12 1r8p n LEU 27 Ca 0.23 0.30 -0.26 0.00 -0.02 0.00 0.00 56.01 56.25 1r8p n LEU 27 Cb 0.73 0.14 -0.10 0.00 -1.62 0.00 0.00 43.42 42.58 1r8p n LEU 27 CO 0.20 0.22 -0.29 -0.72 -1.22 0.00 0.00 177.39 175.57 1r8p s TYR 28 N -2.86 2.51 -0.23 -1.77 -0.85 -1.26 -4.75 117.35 108.15 1r8p s TYR 28 Ca -0.05 -0.58 0.11 0.00 -0.52 0.00 0.00 57.07 56.04 1r8p s TYR 28 Cb 0.09 -1.66 -0.22 0.00 0.38 0.00 0.00 41.96 40.55 1r8p s TYR 28 CO 0.82 0.45 -0.06 2.41 -1.52 0.00 0.00 175.55 177.65 1r8p n THR 29 N -0.97 1.43 -3.51 -3.49 -1.04 0.76 -4.93 114.28 102.55 1r8p n THR 29 Ca -0.04 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 1r8p n THR 29 Cb 0.65 -0.87 -0.03 0.00 -1.82 0.00 0.00 70.33 68.26 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 -0.11 2.41 0.00 -1.17 -4.95 121.76 113.38 1r8p s ALA 30 Ca -0.21 2.16 -0.20 0.00 0.00 0.00 0.00 51.96 53.72 1r8p s ALA 30 Cb 0.07 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1r8p s ALA 30 CO 0.73 -1.04 0.55 0.54 0.00 0.00 0.00 175.76 176.54 1r8p s VAL 31 N 2.87 5.14 0.26 0.00 0.11 -1.26 -2.78 120.40 124.75 1r8p s VAL 31 Ca 0.02 1.10 -0.15 0.00 -2.93 0.00 0.00 61.98 60.03 1r8p s VAL 31 Cb -0.13 -3.89 -0.08 0.00 -1.53 0.00 0.00 36.38 30.75 1r8p s VAL 31 CO -0.19 0.30 0.67 -0.55 -3.33 0.00 0.00 175.10 171.99 1r8p s SER 32 N 0.70 6.81 1.11 3.54 0.15 -1.05 -5.04 113.70 119.92 1r8p s SER 32 Ca 0.29 1.21 -0.12 0.00 0.70 0.00 0.00 55.95 58.03 1r8p s SER 32 Cb -0.16 -2.34 0.25 0.00 -1.71 0.00 0.00 66.02 62.06 1r8p s SER 32 CO 0.13 -0.08 1.05 -0.94 1.20 0.00 0.00 173.24 174.59 1r8p s SER 33 N -2.08 1.40 -0.05 5.45 1.04 -1.26 -4.57 113.70 113.64 1r8p s SER 33 Ca 0.48 1.65 -0.30 0.00 0.48 0.00 0.00 55.95 58.27 1r8p s SER 33 Cb -0.12 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 1r8p s SER 33 CO 0.19 -3.96 1.58 0.42 0.98 0.00 0.00 173.24 172.45 1r8p s THR 34 N -2.51 3.62 0.30 2.02 -4.23 -1.26 -4.71 115.64 108.87 1r8p s THR 34 Ca 0.68 0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 61.97 1r8p s THR 34 Cb -0.24 -3.53 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 1r8p s THR 34 CO 0.63 -0.06 0.41 -1.66 -0.54 0.00 0.00 174.62 173.40 1r8p s TRP 35 N 3.66 0.99 0.27 3.99 1.48 -1.14 -4.90 118.94 123.29 1r8p s TRP 35 Ca 0.70 -1.22 -0.21 0.00 -1.06 0.00 0.00 56.10 54.32 1r8p s TRP 35 Cb -0.32 -0.15 0.05 0.00 -1.16 0.00 0.00 33.47 31.88 1r8p s TRP 35 CO 0.28 -1.01 0.83 -3.38 -4.06 0.00 0.00 176.95 169.61 1r8p s HIS 36 N -3.45 -0.06 -0.10 1.66 -3.43 -1.26 0.25 115.29 108.89 1r8p s HIS 36 Ca 0.31 -0.41 -0.30 0.00 -0.80 0.00 0.00 55.06 53.86 1r8p s HIS 36 Cb 0.01 0.73 -0.01 0.00 -1.43 0.00 0.00 32.58 31.87 1r8p s HIS 36 CO 0.17 -1.19 1.02 -1.58 -2.00 0.00 0.00 174.74 171.16 1r8p s TRP 37 N -3.13 3.49 0.11 0.38 0.52 -1.26 -5.00 118.94 114.04 1r8p s TRP 37 Ca 0.14 1.56 -0.25 0.00 0.02 0.00 0.00 56.10 57.57 1r8p s TRP 37 Cb -0.04 -3.21 0.07 0.00 -1.15 0.00 0.00 33.47 29.14 1r8p s TRP 37 CO 0.07 -0.31 0.83 -0.08 0.02 0.00 0.00 176.95 177.47 1r8p s THR 38 N 2.04 0.00 0.08 2.01 -1.32 -1.26 -4.57 115.64 112.62 1r8p s THR 38 Ca 0.49 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1r8p s THR 38 Cb -0.19 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 1r8p s THR 38 CO 0.18 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1r8p n GLY 39 N -0.37 -0.12 1.19 6.08 0.00 -1.26 -5.09 105.19 105.63 1r8p n GLY 39 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.87 -1.49 -3.13 1.61 -0.00 -1.26 -5.01 115.22 103.07 1r8p n HIS 40 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 1r8p n HIS 40 Cb 0.00 0.30 -0.05 0.00 -0.12 0.00 0.00 29.99 30.12 1r8p n HIS 40 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1r8p n ASN 41 N -2.19 3.26 -4.14 0.26 2.85 -1.26 -5.06 115.26 108.98 1r8p n ASN 41 Ca 0.00 -3.41 -0.13 0.00 -0.11 0.00 0.00 54.58 50.92 1r8p n ASN 41 Cb 0.00 -0.61 -0.11 0.00 1.24 0.00 0.00 39.78 40.30 1r8p n ASN 41 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1r8p s VAL 42 N -3.28 0.78 0.15 3.44 -7.23 -1.26 -5.10 120.40 107.90 1r8p s VAL 42 Ca 0.44 -1.54 -0.34 0.00 -1.81 0.00 0.00 61.98 58.72 1r8p s VAL 42 Cb 0.25 -1.22 -0.14 0.00 0.56 0.00 0.00 36.38 35.83 1r8p s VAL 42 CO -0.09 -0.57 1.51 2.29 -0.31 0.00 0.00 175.10 177.93 1r8p n LYS 43 N 0.70 1.94 -1.68 4.82 2.85 -1.26 -4.88 118.16 120.65 1r8p n LYS 43 Ca -0.17 0.70 -0.40 0.00 -1.05 0.00 0.00 58.31 57.39 1r8p n LYS 43 Cb 0.57 -2.43 0.03 0.00 -0.65 0.00 0.00 35.03 32.55 1r8p n LYS 43 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1r8p n HIS 44 N 3.11 1.80 -3.79 5.58 8.25 -1.26 -5.01 115.22 123.90 1r8p n HIS 44 Ca 0.17 0.48 -0.25 0.00 -0.26 0.00 0.00 57.72 57.85 1r8p n HIS 44 Cb 0.27 -2.31 -0.00 0.00 1.12 0.00 0.00 29.99 29.07 1r8p n HIS 44 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1r8p s LYS 45 N -2.46 2.27 -0.32 -0.41 2.47 -1.26 -5.07 119.74 114.96 1r8p s LYS 45 Ca 0.67 -1.96 -0.25 0.00 -1.56 0.00 0.00 55.97 52.87 1r8p s LYS 45 Cb -0.47 -2.16 0.01 0.00 -1.46 0.00 0.00 37.83 33.74 1r8p s LYS 45 CO 0.53 -0.61 0.89 -1.12 0.16 0.00 0.00 175.35 175.20 1r8p s SER 46 N -4.30 6.74 0.48 1.43 0.01 -1.26 -4.99 113.70 111.81 1r8p s SER 46 Ca 0.37 0.76 -0.14 0.00 1.31 0.00 0.00 55.95 58.25 1r8p s SER 46 Cb -0.02 -2.45 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 1r8p s SER 46 CO 0.23 -0.72 -0.22 0.00 0.41 0.00 0.00 173.24 172.94 1r8p n ALA 47 N 6.47 -3.21 -3.64 1.44 0.00 -1.26 -4.47 120.51 115.83 1r8p n ALA 47 Ca 0.07 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1r8p n ALA 47 Cb 0.48 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.59 -0.05 -0.14 0.00 1.01 0.70 -3.87 121.20 117.26 1r8p s ILE 48 Ca 0.42 0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.26 1r8p s ILE 48 Cb -0.34 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1r8p s ILE 48 CO 0.55 0.07 -0.19 -0.69 0.00 0.00 0.00 174.94 174.68 1r8p s VAL 49 N 0.98 2.33 0.31 2.92 1.01 -1.19 -2.87 120.40 123.89 1r8p s VAL 49 Ca -0.08 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1r8p s VAL 49 Cb -0.11 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1r8p s VAL 49 CO -0.04 0.54 0.53 -0.89 0.00 0.00 0.00 175.10 175.24 1r8p s THR 50 N 0.75 5.09 -0.05 3.92 2.01 -1.26 -3.57 115.64 122.53 1r8p s THR 50 Ca -0.08 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1r8p s THR 50 Cb -0.16 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1r8p s THR 50 CO 0.00 -0.43 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.71 1r8p s LEU 51 N -3.93 1.21 -0.15 4.42 1.43 -1.00 -2.54 118.68 118.12 1r8p s LEU 51 Ca 0.41 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 1r8p s LEU 51 Cb -0.10 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 1r8p s LEU 51 CO 0.33 -0.08 0.25 0.42 0.23 0.00 0.00 176.35 177.51 1r8p s THR 52 N 1.08 5.33 0.11 5.49 -4.23 -1.12 -2.39 115.64 119.91 1r8p s THR 52 Ca -0.09 0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.96 1r8p s THR 52 Cb -0.14 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1r8p s THR 52 CO -0.01 0.43 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.10 1r8p s TYR 53 N 0.21 2.76 -1.24 3.99 1.51 -1.18 0.27 117.35 123.68 1r8p s TYR 53 Ca 0.15 -0.15 0.22 0.00 -1.01 0.00 0.00 57.07 56.29 1r8p s TYR 53 Cb -0.13 -1.44 1.05 0.00 -0.11 0.00 0.00 41.96 41.33 1r8p s TYR 53 CO 0.03 0.44 1.72 -0.25 -1.11 0.00 0.00 175.55 176.38 1r8p n ASP 54 N 0.65 0.00 -3.55 2.29 8.00 -1.26 -3.85 116.55 118.82 1r8p n ASP 54 Ca -0.13 0.21 -0.07 0.00 0.71 0.00 0.00 54.79 55.51 1r8p n ASP 54 Cb 0.52 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.76 -0.27 0.25 -2.24 1.04 -1.26 -4.95 113.70 103.50 1r8p s SER 55 Ca 0.16 0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.63 1r8p s SER 55 Cb 0.15 0.27 0.31 0.00 0.10 0.00 0.00 66.02 66.85 1r8p s SER 55 CO 0.37 -0.41 1.77 -0.33 0.98 0.00 0.00 173.24 175.62 1r8p h GLU 56 N 2.10 0.88 -0.04 4.02 4.39 -2.00 -2.97 114.58 120.96 1r8p h GLU 56 Ca -0.16 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.36 1r8p h GLU 56 Cb 1.20 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.69 1r8p h GLU 56 CO 0.28 0.82 -0.23 2.35 -1.16 0.00 0.00 179.01 181.07 1r8p h TRP 57 N 0.84 -0.62 -0.63 4.33 2.91 -2.00 -1.43 115.95 119.34 1r8p h TRP 57 Ca 0.17 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.27 1r8p h TRP 57 Cb 0.38 0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 29.27 1r8p h TRP 57 CO 0.02 -0.32 0.42 0.37 -1.03 0.00 0.00 178.44 177.90 1r8p h GLN 58 N -0.34 0.66 -0.77 2.65 4.15 -1.92 -1.78 115.11 117.76 1r8p h GLN 58 Ca 0.07 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1r8p h GLN 58 Cb 0.45 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1r8p h GLN 58 CO -0.24 0.44 0.49 -0.09 -1.93 0.00 0.00 178.83 177.50 1r8p h ARG 59 N 0.68 0.94 -0.44 1.69 2.43 -1.12 -1.65 114.38 116.91 1r8p h ARG 59 Ca 0.26 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1r8p h ARG 59 Cb 0.18 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1r8p h ARG 59 CO -0.08 0.62 0.21 -0.44 -1.51 0.00 0.00 179.97 178.77 1r8p h ASP 60 N 0.96 0.55 -0.29 -3.80 3.32 -0.90 -2.70 116.42 113.56 1r8p h ASP 60 Ca 0.30 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1r8p h ASP 60 Cb -0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1r8p h ASP 60 CO -0.10 0.47 0.03 1.56 -1.72 0.00 0.00 179.24 179.48 1r8p h GLN 61 N 0.62 0.50 -0.24 3.56 4.20 -1.18 -2.67 115.11 119.90 1r8p h GLN 61 Ca 0.16 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1r8p h GLN 61 Cb 0.07 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1r8p h GLN 61 CO -0.02 0.62 -0.01 0.35 -0.67 0.00 0.00 178.83 179.10 1r8p h PHE 62 N 0.31 -0.04 -0.42 2.96 3.04 -1.15 -1.39 116.94 120.25 1r8p h PHE 62 Ca 0.09 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1r8p h PHE 62 Cb 0.38 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1r8p h PHE 62 CO 0.03 -0.05 0.26 -0.07 -2.02 0.00 0.00 178.31 176.45 1r8p h LEU 63 N 0.06 0.42 -2.19 0.59 3.38 -1.48 0.12 115.31 116.21 1r8p h LEU 63 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1r8p h LEU 63 Cb 0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1r8p h LEU 63 CO -0.21 0.31 -0.02 -1.28 0.09 0.00 0.00 178.44 177.33 1r8p h SER 64 N 0.52 0.00 0.36 -0.43 0.87 -1.11 -2.21 113.55 111.56 1r8p h SER 64 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1r8p h SER 64 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1r8p h SER 64 CO -0.06 0.02 -1.37 0.00 -0.53 0.00 0.00 176.83 174.88 1r8p n GLN 65 N -3.15 0.47 -3.76 2.24 1.13 -0.51 -4.81 117.38 108.99 1r8p n GLN 65 Ca -0.01 -0.05 -0.37 0.00 -1.94 0.00 0.00 57.00 54.63 1r8p n GLN 65 Cb 0.19 -1.61 -0.13 0.00 0.11 0.00 0.00 30.24 28.81 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 -3.34 3.91 -0.21 5.09 -7.23 0.30 -5.06 120.40 113.87 1r8p s VAL 66 Ca -0.01 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 1r8p s VAL 66 Cb 0.13 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 1r8p s VAL 66 CO 0.84 0.01 1.56 -0.75 -0.31 0.00 0.00 175.10 176.45 1r8p s LYS 67 N 1.47 3.86 0.14 4.82 2.47 -1.26 -4.81 119.74 126.43 1r8p s LYS 67 Ca 0.01 1.65 -0.18 0.00 -1.56 0.00 0.00 55.97 55.89 1r8p s LYS 67 Cb -0.18 -4.00 -0.07 0.00 -1.46 0.00 0.00 37.83 32.12 1r8p s LYS 67 CO 0.03 -1.20 0.62 -1.50 0.16 0.00 0.00 175.35 173.45 1r8p s ILE 68 N 4.91 4.70 0.38 5.43 1.10 -1.26 -5.07 121.20 131.40 1r8p s ILE 68 Ca 0.69 1.15 0.01 0.00 -0.51 0.00 0.00 60.65 61.99 1r8p s ILE 68 Cb -0.24 -3.86 -0.02 0.00 0.15 0.00 0.00 42.46 38.49 1r8p s ILE 68 CO 0.28 0.37 0.58 -2.16 -2.11 0.00 0.00 174.94 171.90 1r8p s PRO 69 N -1.59 3.27 0.41 3.50 0.04 -1.26 -4.97 135.00 134.41 1r8p s PRO 69 Ca 0.36 -0.49 0.29 0.00 0.04 0.00 0.00 61.00 61.20 1r8p s PRO 69 Cb -0.18 -2.64 1.38 0.00 0.04 0.00 0.00 34.50 33.10 1r8p s PRO 69 CO 0.20 -0.02 1.87 0.87 0.04 0.00 0.00 177.00 179.96 1r8p h LYS 70 N 0.64 0.00 0.03 4.56 1.57 -2.03 -2.43 116.57 118.91 1r8p h LYS 70 Ca -0.48 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.04 1r8p h LYS 70 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1r8p h LYS 70 CO 0.59 0.00 -1.38 1.15 -0.57 0.00 0.00 179.45 179.24 1r8p h THR 71 N 0.00 1.27 -3.25 -0.16 2.02 -1.96 -3.46 112.91 107.37 1r8p h THR 71 Ca 0.00 -3.02 -0.57 0.00 0.77 0.00 0.00 66.41 63.60 1r8p h THR 71 Cb 0.22 2.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.27 1r8p h THR 71 CO 0.00 0.77 -0.23 -0.63 0.37 0.00 0.00 175.52 175.80 1r8p s ILE 72 N -2.65 5.06 0.03 3.11 1.01 -0.91 -4.66 121.20 122.19 1r8p s ILE 72 Ca -0.03 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 1r8p s ILE 72 Cb 0.09 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 1r8p s ILE 72 CO 0.83 0.05 0.16 -0.89 0.00 0.00 0.00 174.94 175.09 1r8p s THR 73 N -1.66 0.11 0.13 2.92 2.01 -1.19 -4.58 115.64 113.38 1r8p s THR 73 Ca 0.42 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 1r8p s THR 73 Cb -0.12 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1r8p s THR 73 CO 0.22 -0.51 0.24 0.54 -0.69 0.00 0.00 174.62 174.41 1r8p s VAL 74 N -2.42 0.10 0.33 3.82 0.11 -1.26 -2.16 120.40 118.93 1r8p s VAL 74 Ca -0.06 -1.30 0.07 0.00 -2.93 0.00 0.00 61.98 57.76 1r8p s VAL 74 Cb -0.02 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 1r8p s VAL 74 CO -0.03 -0.46 0.27 -0.24 -3.33 0.00 0.00 175.10 171.30 1r8p n SER 75 N -0.14 -0.55 -4.83 3.54 2.88 -1.15 -4.97 113.62 108.40 1r8p n SER 75 Ca -0.11 -3.17 -0.22 0.00 -1.33 0.00 0.00 58.87 54.05 1r8p n SER 75 Cb 0.63 1.61 -0.04 0.00 -0.75 0.00 0.00 64.21 65.65 1r8p n SER 75 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1r8p s THR 76 N -3.32 2.95 0.14 2.46 2.01 -1.26 -3.49 115.64 115.13 1r8p s THR 76 Ca 0.38 -1.44 -0.24 0.00 0.31 0.00 0.00 61.69 60.70 1r8p s THR 76 Cb 0.02 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.56 1r8p s THR 76 CO 0.27 -0.08 1.08 -0.83 -0.69 0.00 0.00 174.62 174.37 1r8p s GLY 77 N -4.02 0.02 -0.11 4.40 0.00 -1.25 -4.96 107.32 101.39 1r8p s GLY 77 Ca 0.44 -0.19 -0.08 0.00 0.00 0.00 0.00 44.72 44.89 1r8p s GLY 77 CO 0.26 2.58 0.28 -0.12 0.00 0.00 0.00 173.10 176.10 1r8p s PHE 78 N -2.26 -0.35 0.18 1.90 5.36 -1.26 -3.65 117.98 117.90 1r8p s PHE 78 Ca 0.22 0.82 0.10 0.00 -0.96 0.00 0.00 56.93 57.11 1r8p s PHE 78 Cb -0.02 0.10 -0.04 0.00 -0.34 0.00 0.00 43.02 42.72 1r8p s PHE 78 CO 0.04 -0.20 -0.19 -1.64 -1.46 0.00 0.00 175.22 171.77 1r8p s MET 79 N 0.62 1.71 -0.32 10.12 -1.94 -1.12 -5.02 119.30 123.35 1r8p s MET 79 Ca -0.04 -1.41 0.02 0.00 -1.71 0.00 0.00 55.69 52.55 1r8p s MET 79 Cb -0.05 -1.97 0.10 0.00 2.01 0.00 0.00 34.83 34.91 1r8p s MET 79 CO -0.04 0.42 0.06 -1.54 -0.01 0.00 0.00 175.02 173.91 1r8p s SER 80 N -2.67 4.40 0.00 3.03 1.04 -1.26 -3.32 113.70 114.92 1r8p s SER 80 Ca 0.22 -1.87 0.29 0.00 0.48 0.00 0.00 55.95 55.06 1r8p s SER 80 Cb -0.08 -1.28 1.16 0.00 0.10 0.00 0.00 66.02 65.92 1r8p s SER 80 CO 0.11 -0.38 1.81 0.00 0.98 0.00 0.00 173.24 175.76