#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 3.12 -0.02 2.03 -4.23 -1.24 -4.91 115.64 110.39 1r8p s THR 2 Ca 0.00 1.01 -0.16 0.00 -1.18 0.00 0.00 61.69 61.36 1r8p s THR 2 Cb 0.00 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.19 1r8p s THR 2 CO 0.00 0.15 0.44 -2.16 -0.54 0.00 0.00 174.62 172.51 1r8p s PRO 3 N -2.07 4.07 0.29 3.99 0.04 -1.17 -3.00 135.00 137.16 1r8p s PRO 3 Ca 0.53 0.45 0.01 0.00 0.04 0.00 0.00 61.00 62.04 1r8p s PRO 3 Cb -0.33 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1r8p s PRO 3 CO 0.42 0.54 0.30 0.96 0.04 0.00 0.00 177.00 179.26 1r8p s ILE 4 N -0.62 0.00 0.03 0.56 -4.36 -1.17 0.73 121.20 116.38 1r8p s ILE 4 Ca 0.25 -1.86 -0.09 0.00 -0.26 0.00 0.00 60.65 58.69 1r8p s ILE 4 Cb -0.17 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1r8p s ILE 4 CO 0.13 0.00 0.18 0.54 0.24 0.00 0.00 174.94 176.03 1r8p s VAL 5 N -3.57 0.10 -0.21 8.37 0.11 -0.92 -3.23 120.40 121.06 1r8p s VAL 5 Ca 0.37 -0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1r8p s VAL 5 Cb 0.03 -0.81 0.06 0.00 -1.53 0.00 0.00 36.38 34.13 1r8p s VAL 5 CO 0.21 -0.48 0.04 -1.00 -3.33 0.00 0.00 175.10 170.54 1r8p s HIS 6 N -2.30 1.18 0.30 1.54 3.76 -1.15 -2.61 115.29 116.02 1r8p s HIS 6 Ca -0.07 -1.01 0.10 0.00 -0.15 0.00 0.00 55.06 53.93 1r8p s HIS 6 Cb -0.02 -1.13 -0.06 0.00 1.11 0.00 0.00 32.58 32.48 1r8p s HIS 6 CO -0.03 -0.65 -0.14 -0.48 -0.85 0.00 0.00 174.74 172.59 1r8p s LEU 7 N 1.81 2.64 0.15 0.89 0.05 -0.94 -2.38 118.68 120.89 1r8p s LEU 7 Ca -0.00 -1.11 -0.01 0.00 0.05 0.00 0.00 54.13 53.06 1r8p s LEU 7 Cb -0.17 -0.99 -0.04 0.00 -2.05 0.00 0.00 46.19 42.93 1r8p s LEU 7 CO -0.10 -0.11 0.07 -1.59 -0.55 0.00 0.00 176.35 174.07 1r8p s LYS 8 N -3.58 1.01 0.00 1.48 -2.85 -0.76 -1.31 119.74 113.72 1r8p s LYS 8 Ca 0.30 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.78 1r8p s LYS 8 Cb -0.01 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 1r8p s LYS 8 CO 0.15 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 175.73 1r8p n GLY 9 N -0.15 -0.69 3.75 0.59 0.00 -1.19 -3.39 105.19 104.11 1r8p n GLY 9 Ca -0.04 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1r8p n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r8p s ASP 10 N 0.00 6.66 0.61 1.61 2.15 -1.26 -3.97 116.67 122.46 1r8p s ASP 10 Ca 0.00 2.70 0.27 0.00 0.43 0.00 0.00 52.55 55.95 1r8p s ASP 10 Cb 0.00 -2.63 1.36 0.00 -0.30 0.00 0.00 42.92 41.34 1r8p s ASP 10 CO 0.00 -0.68 1.77 0.00 -0.17 0.00 0.00 175.17 176.09 1r8p h ALA 11 N 4.55 2.14 0.00 3.66 0.00 -1.95 -0.93 119.26 126.73 1r8p h ALA 11 Ca -0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1r8p h ALA 11 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1r8p h ALA 11 CO 0.74 -0.82 -0.16 -0.91 0.00 0.00 0.00 179.25 178.10 1r8p h ASN 12 N 0.00 0.00 0.00 0.00 2.35 -2.01 -2.92 115.58 113.01 1r8p h ASN 12 Ca 0.21 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 1r8p h ASN 12 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1r8p h ASN 12 CO -0.00 0.99 0.09 0.74 -1.65 0.00 0.00 177.43 177.60 1r8p h THR 13 N -1.00 0.00 0.00 2.81 2.02 -1.56 0.20 112.91 115.38 1r8p h THR 13 Ca -0.04 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.87 1r8p h THR 13 Cb 0.91 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1r8p h THR 13 CO -0.03 0.00 -1.69 0.18 0.37 0.00 0.00 175.52 174.36 1r8p n LEU 14 N -2.50 0.81 -0.01 2.58 4.77 -0.80 -3.62 117.00 118.23 1r8p n LEU 14 Ca -0.02 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 1r8p n LEU 14 Cb 0.13 0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1r8p n LEU 14 CO 0.12 0.34 0.91 0.50 -1.33 0.00 0.00 177.39 177.93 1r8p h LYS 15 N 0.00 0.15 -0.18 3.23 3.64 -0.74 -2.49 116.57 120.18 1r8p h LYS 15 Ca -0.27 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.96 1r8p h LYS 15 Cb 1.93 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.70 1r8p h LYS 15 CO 0.07 0.11 -0.46 0.00 -2.27 0.00 0.00 179.45 176.90 1r8p h LEU 17 N 0.37 0.16 -1.75 0.00 4.07 -1.57 -1.84 115.31 114.76 1r8p h LEU 17 Ca 0.02 0.01 0.33 0.00 0.08 0.00 0.00 57.88 58.33 1r8p h LEU 17 Cb 0.95 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.60 1r8p h LEU 17 CO 0.08 0.13 0.81 -0.09 -1.08 0.00 0.00 178.44 178.29 1r8p h ARG 18 N 0.24 0.13 0.00 1.13 2.43 -1.44 0.86 114.38 117.73 1r8p h ARG 18 Ca 0.10 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1r8p h ARG 18 Cb 0.04 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1r8p h ARG 18 CO -0.08 0.09 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.43 1r8p h TYR 19 N 0.13 0.00 -0.04 2.20 3.20 -1.44 -1.87 116.97 119.15 1r8p h TYR 19 Ca 0.60 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.31 1r8p h TYR 19 Cb 2.09 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.35 1r8p h TYR 19 CO -0.00 0.12 -0.72 0.00 -1.64 0.00 0.00 178.16 175.92 1r8p h ARG 20 N 0.00 0.23 0.00 1.82 3.08 0.67 -2.78 114.38 117.41 1r8p h ARG 20 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1r8p h ARG 20 Cb 0.30 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1r8p h ARG 20 CO 0.02 0.86 0.00 1.19 -1.07 0.00 0.00 179.97 180.96 1r8p n PHE 21 N -3.79 0.00 0.02 3.04 3.72 -0.70 -2.94 117.46 116.81 1r8p n PHE 21 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 1r8p n PHE 21 Cb 0.70 -0.41 -0.08 0.00 -0.94 0.00 0.00 39.48 38.75 1r8p n PHE 21 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1r8p h LYS 22 N 0.00 0.02 0.00 -1.08 1.79 -1.52 -1.58 116.57 114.20 1r8p h LYS 22 Ca 0.00 -0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1r8p h LYS 22 Cb 0.14 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1r8p h LYS 22 CO 0.00 0.17 -0.45 0.87 -1.08 0.00 0.00 179.45 178.95 1r8p h LYS 23 N -0.13 0.00 -0.99 3.15 1.79 -1.74 -3.05 116.57 115.60 1r8p h LYS 23 Ca 0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 1r8p h LYS 23 Cb 0.15 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.58 1r8p h LYS 23 CO -0.00 0.45 0.48 0.72 -1.08 0.00 0.00 179.45 180.03 1r8p n HIS 24 N -3.41 2.32 0.32 -1.35 8.25 -1.05 -4.49 115.22 115.81 1r8p n HIS 24 Ca 0.01 -1.49 0.19 0.00 -0.26 0.00 0.00 57.72 56.16 1r8p n HIS 24 Cb 0.61 -0.77 1.02 0.00 1.12 0.00 0.00 29.99 31.97 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 -2.94 0.80 -0.03 0.00 5.66 -1.26 -4.21 114.28 112.29 1r8p n THR 26 Ca -0.02 -0.83 -0.12 0.00 -3.05 0.00 0.00 64.05 60.02 1r8p n THR 26 Cb 0.19 0.48 -0.14 0.00 -1.55 0.00 0.00 70.33 69.31 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 1.35 1.30 -4.63 1.09 4.32 0.12 -4.96 117.00 115.58 1r8p n LEU 27 Ca 0.21 0.27 -0.27 0.00 -0.02 0.00 0.00 56.01 56.20 1r8p n LEU 27 Cb 0.54 -0.16 -0.10 0.00 -1.62 0.00 0.00 43.42 42.08 1r8p n LEU 27 CO 0.15 0.55 -0.28 -0.72 -1.22 0.00 0.00 177.39 175.87 1r8p s TYR 28 N -2.57 2.52 -0.20 -1.77 1.13 -1.25 -4.75 117.35 110.46 1r8p s TYR 28 Ca -0.12 -0.61 0.15 0.00 -1.41 0.00 0.00 57.07 55.08 1r8p s TYR 28 Cb 0.07 -1.73 -0.24 0.00 -1.10 0.00 0.00 41.96 38.97 1r8p s TYR 28 CO 0.80 0.43 0.04 2.41 -2.51 0.00 0.00 175.55 176.72 1r8p n THR 29 N -0.98 1.41 -3.46 -3.49 -1.04 -0.93 -4.95 114.28 100.83 1r8p n THR 29 Ca -0.04 -0.81 0.01 0.00 -2.04 0.00 0.00 64.05 61.16 1r8p n THR 29 Cb 0.66 -0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.10 -0.61 2.41 0.00 -1.20 -4.99 121.76 112.77 1r8p s ALA 30 Ca -0.14 2.14 -0.22 0.00 0.00 0.00 0.00 51.96 53.74 1r8p s ALA 30 Cb 0.07 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 21.34 1r8p s ALA 30 CO 0.79 -1.08 0.86 0.54 0.00 0.00 0.00 175.76 176.88 1r8p s VAL 31 N 2.88 4.51 0.69 0.00 0.11 -1.26 -2.52 120.40 124.82 1r8p s VAL 31 Ca 0.04 -0.43 -0.17 0.00 -2.93 0.00 0.00 61.98 58.50 1r8p s VAL 31 Cb -0.13 -4.57 -0.05 0.00 -1.53 0.00 0.00 36.38 30.10 1r8p s VAL 31 CO -0.20 -1.25 0.50 -1.54 -3.33 0.00 0.00 175.10 169.28 1r8p n SER 32 N 7.17 -1.28 0.00 3.54 3.41 -0.78 -4.96 113.62 120.72 1r8p n SER 32 Ca -0.05 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1r8p n SER 32 Cb 0.45 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1r8p n SER 32 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1r8p n SER 33 N -0.02 0.00 -3.51 4.04 3.41 -1.26 -4.68 113.62 111.59 1r8p n SER 33 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1r8p n SER 33 Cb 0.49 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1r8p n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r8p s THR 34 N 0.00 -0.20 0.00 6.66 2.01 -1.26 -4.86 115.64 117.99 1r8p s THR 34 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1r8p s THR 34 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1r8p s THR 34 CO 0.00 0.00 0.00 -2.67 -0.69 0.00 0.00 174.62 171.26 1r8p n TRP 35 N 4.20 -0.31 -3.82 4.92 4.27 -0.33 -4.93 117.44 121.45 1r8p n TRP 35 Ca -0.14 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.42 1r8p n TRP 35 Cb 0.55 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.49 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 -4.10 -0.13 -0.76 -2.67 2.46 -1.26 0.20 115.29 109.03 1r8p s HIS 36 Ca 0.00 -0.29 -0.27 0.00 0.47 0.00 0.00 55.06 54.97 1r8p s HIS 36 Cb 0.00 0.70 0.03 0.00 -0.13 0.00 0.00 32.58 33.18 1r8p s HIS 36 CO 0.00 -1.11 1.30 -1.58 -2.47 0.00 0.00 174.74 170.88 1r8p s TRP 37 N -3.48 2.29 0.00 3.88 0.23 -1.26 -4.52 118.94 116.08 1r8p s TRP 37 Ca 0.12 -0.11 0.00 0.00 -2.03 0.00 0.00 56.10 54.09 1r8p s TRP 37 Cb -0.04 -4.63 0.00 0.00 0.03 0.00 0.00 33.47 28.83 1r8p s TRP 37 CO 0.06 -2.07 0.00 2.41 0.96 0.00 0.00 176.95 178.31 1r8p n THR 38 N 6.44 0.00 0.00 2.01 -1.04 -1.26 -4.91 114.28 115.52 1r8p n THR 38 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1r8p n THR 38 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1r8p n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r8p n GLY 39 N -0.21 -0.47 0.27 3.41 0.00 -1.26 -4.93 105.19 102.00 1r8p n GLY 39 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1r8p n GLY 39 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1r8p h HIS 40 N 0.00 1.13 -3.40 1.61 2.07 -2.02 -3.38 115.15 111.16 1r8p h HIS 40 Ca 0.00 -0.30 -0.71 0.00 -2.85 0.00 0.00 60.37 56.51 1r8p h HIS 40 Cb 0.00 -0.25 -0.32 0.00 2.57 0.00 0.00 27.41 29.41 1r8p h HIS 40 CO 0.00 1.13 -0.43 1.21 -3.07 0.00 0.00 177.93 176.76 1r8p s ASN 41 N -6.75 5.53 -0.45 3.10 3.84 -1.26 -5.05 114.94 113.90 1r8p s ASN 41 Ca -0.11 -2.07 -0.16 0.00 0.21 0.00 0.00 52.86 50.73 1r8p s ASN 41 Cb 0.12 -1.94 0.05 0.00 -0.55 0.00 0.00 41.25 38.93 1r8p s ASN 41 CO 0.87 -0.61 0.43 -0.69 -2.79 0.00 0.00 177.10 174.31 1r8p s VAL 42 N 1.12 5.14 -0.26 -5.21 1.01 -1.26 -4.84 120.40 116.09 1r8p s VAL 42 Ca 0.08 -0.70 0.15 0.00 0.00 0.00 0.00 61.98 61.51 1r8p s VAL 42 Cb -0.24 -4.09 0.39 0.00 0.00 0.00 0.00 36.38 32.43 1r8p s VAL 42 CO -0.02 -0.52 1.35 2.29 0.00 0.00 0.00 175.10 178.19 1r8p n LYS 43 N 5.47 1.22 -0.00 2.72 2.85 -1.26 -5.00 118.16 124.15 1r8p n LYS 43 Ca -0.10 -1.81 -0.00 0.00 -1.05 0.00 0.00 58.31 55.34 1r8p n LYS 43 Cb 0.46 -0.11 -0.00 0.00 -0.65 0.00 0.00 35.03 34.73 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 -1.01 0.00 -1.52 5.58 8.25 -1.26 -5.09 115.22 120.16 1r8p n HIS 44 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1r8p n HIS 44 Cb 0.85 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.95 1r8p n HIS 44 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1r8p n LYS 45 N -2.59 3.20 -3.64 -0.41 5.02 -1.26 -5.08 118.16 113.40 1r8p n LYS 45 Ca -0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1r8p n LYS 45 Cb 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.96 1r8p n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1r8p s SER 46 N -1.00 6.47 1.00 4.39 0.15 -1.26 -5.06 113.70 118.40 1r8p s SER 46 Ca 0.00 0.55 -0.20 0.00 0.70 0.00 0.00 55.95 57.00 1r8p s SER 46 Cb 0.00 -2.16 -0.14 0.00 -1.71 0.00 0.00 66.02 62.01 1r8p s SER 46 CO 0.00 0.23 -0.91 0.00 1.20 0.00 0.00 173.24 173.76 1r8p n ALA 47 N 2.84 -5.32 -2.28 5.45 0.00 -1.25 -4.58 120.51 115.36 1r8p n ALA 47 Ca -0.15 -0.93 -0.08 0.00 0.00 0.00 0.00 53.44 52.28 1r8p n ALA 47 Cb 0.53 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.04 0.15 0.21 0.00 1.01 0.55 -3.18 121.20 117.90 1r8p s ILE 48 Ca 0.41 -1.65 0.01 0.00 0.00 0.00 0.00 60.65 59.41 1r8p s ILE 48 Cb -0.09 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1r8p s ILE 48 CO 0.76 -0.69 0.07 -0.69 0.00 0.00 0.00 174.94 174.39 1r8p s VAL 49 N -3.95 0.46 0.03 2.92 1.01 -0.43 -1.18 120.40 119.26 1r8p s VAL 49 Ca 0.13 -1.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.03 1r8p s VAL 49 Cb 0.07 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1r8p s VAL 49 CO -0.06 -0.18 0.17 -0.89 0.00 0.00 0.00 175.10 174.15 1r8p s THR 50 N -3.82 0.11 -0.02 3.92 2.01 -1.26 -2.22 115.64 114.36 1r8p s THR 50 Ca 0.33 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1r8p s THR 50 Cb 0.07 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1r8p s THR 50 CO 0.10 -0.48 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.75 1r8p s LEU 51 N -1.95 1.71 -0.22 4.42 1.43 -1.07 -1.87 118.68 121.14 1r8p s LEU 51 Ca -0.07 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 1r8p s LEU 51 Cb -0.02 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 1r8p s LEU 51 CO -0.03 0.01 0.30 0.42 0.23 0.00 0.00 176.35 177.28 1r8p s THR 52 N 0.31 5.26 0.05 5.49 -4.23 -1.05 -2.16 115.64 119.32 1r8p s THR 52 Ca -0.03 0.50 0.03 0.00 -1.18 0.00 0.00 61.69 61.01 1r8p s THR 52 Cb -0.07 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1r8p s THR 52 CO -0.00 0.29 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.05 1r8p s TYR 53 N 1.20 3.00 -0.39 3.99 1.51 0.22 -2.19 117.35 124.68 1r8p s TYR 53 Ca 0.14 0.01 0.22 0.00 -1.01 0.00 0.00 57.07 56.43 1r8p s TYR 53 Cb -0.14 -1.59 -0.09 0.00 -0.11 0.00 0.00 41.96 40.03 1r8p s TYR 53 CO 0.06 0.46 0.86 -0.25 -1.11 0.00 0.00 175.55 175.58 1r8p n ASP 54 N 0.99 0.51 -3.74 2.29 9.92 -1.26 -3.05 116.55 122.21 1r8p n ASP 54 Ca -0.13 -0.10 -0.16 0.00 -0.53 0.00 0.00 54.79 53.87 1r8p n ASP 54 Cb 0.52 1.09 -0.16 0.00 -0.64 0.00 0.00 41.12 41.92 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1r8p s SER 55 N -4.32 0.39 0.24 -2.24 0.01 -1.26 -4.83 113.70 101.69 1r8p s SER 55 Ca -0.00 0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 1r8p s SER 55 Cb 0.13 -0.07 0.42 0.00 0.21 0.00 0.00 66.02 66.72 1r8p s SER 55 CO 0.84 -0.17 1.78 -0.33 0.41 0.00 0.00 173.24 175.77 1r8p h GLU 56 N 7.66 0.65 -0.44 12.44 5.08 -1.93 -1.42 114.58 136.63 1r8p h GLU 56 Ca -0.35 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1r8p h GLU 56 Cb 1.12 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1r8p h GLU 56 CO 0.37 0.43 0.04 2.35 -1.00 0.00 0.00 179.01 181.21 1r8p h TRP 57 N 0.67 0.05 -0.68 4.33 -0.00 -2.01 -0.16 115.95 118.15 1r8p h TRP 57 Ca 0.40 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 59.36 1r8p h TRP 57 Cb 0.46 0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.63 1r8p h TRP 57 CO -0.09 -0.05 0.45 0.37 -0.00 0.00 0.00 178.44 179.12 1r8p h GLN 58 N 0.16 0.79 -0.47 2.65 4.15 -1.65 -2.38 115.11 118.37 1r8p h GLN 58 Ca 0.22 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.60 1r8p h GLN 58 Cb 0.30 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1r8p h GLN 58 CO -0.33 0.52 0.30 -0.09 -1.93 0.00 0.00 178.83 177.30 1r8p h ARG 59 N 0.81 0.58 -0.78 1.69 1.12 -0.58 -2.39 114.38 114.84 1r8p h ARG 59 Ca 0.27 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.10 1r8p h ARG 59 Cb 0.07 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 29.86 1r8p h ARG 59 CO -0.08 0.38 0.46 0.22 -3.11 0.00 0.00 179.97 177.84 1r8p h ASP 60 N 0.60 0.95 -0.59 -3.80 1.82 -1.05 -2.52 116.42 111.83 1r8p h ASP 60 Ca 0.18 -0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.67 1r8p h ASP 60 Cb -0.03 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1r8p h ASP 60 CO -0.06 0.74 0.05 1.56 -1.61 0.00 0.00 179.24 179.92 1r8p h GLN 61 N 1.08 1.03 0.31 0.28 4.20 -1.31 -2.81 115.11 117.89 1r8p h GLN 61 Ca 0.28 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1r8p h GLN 61 Cb -0.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1r8p h GLN 61 CO -0.05 0.98 -0.24 0.35 -0.67 0.00 0.00 178.83 179.19 1r8p h PHE 62 N 0.95 -0.67 0.00 2.96 3.04 -0.99 -1.11 116.94 121.13 1r8p h PHE 62 Ca 0.18 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1r8p h PHE 62 Cb 0.48 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1r8p h PHE 62 CO 0.03 -0.34 0.01 1.47 -2.02 0.00 0.00 178.31 177.46 1r8p n LEU 63 N -3.83 0.04 0.04 0.59 -0.00 -1.17 -1.12 117.00 111.54 1r8p n LEU 63 Ca -0.06 0.51 0.04 0.00 -0.00 0.00 0.00 56.01 56.49 1r8p n LEU 63 Cb 0.23 -0.51 -0.08 0.00 -0.00 0.00 0.00 43.42 43.06 1r8p n LEU 63 CO 0.15 -0.52 -0.35 -0.24 -0.00 0.00 0.00 177.39 176.43 1r8p n SER 64 N -1.54 0.66 -0.05 1.45 2.88 -0.65 -4.27 113.62 112.10 1r8p n SER 64 Ca -0.00 0.28 -0.06 0.00 -1.33 0.00 0.00 58.87 57.76 1r8p n SER 64 Cb 0.01 0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 63.92 1r8p n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r8p n GLN 65 N -2.72 0.66 -3.40 -1.46 1.13 -0.27 -4.58 117.38 106.73 1r8p n GLN 65 Ca -0.08 0.10 -0.36 0.00 -1.94 0.00 0.00 57.00 54.72 1r8p n GLN 65 Cb 0.74 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.40 1r8p n GLN 65 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1r8p n VAL 66 N -2.81 3.58 -1.48 5.09 0.24 -0.86 -5.03 118.33 117.06 1r8p n VAL 66 Ca -0.21 -5.38 -0.51 0.00 -2.04 0.00 0.00 64.34 56.19 1r8p n VAL 66 Cb 1.01 -2.25 -0.07 0.00 -1.47 0.00 0.00 33.84 31.07 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 1.72 1.14 -3.17 7.34 4.81 -1.26 -4.85 118.16 123.88 1r8p n LYS 67 Ca 0.25 0.33 -0.39 0.00 -0.87 0.00 0.00 58.31 57.63 1r8p n LYS 67 Cb 0.37 -2.43 -0.06 0.00 0.02 0.00 0.00 35.03 32.93 1r8p n LYS 67 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1r8p s ILE 68 N 6.74 4.65 1.31 3.15 1.01 -1.26 -5.05 121.20 131.75 1r8p s ILE 68 Ca 1.08 1.37 -0.20 0.00 0.00 0.00 0.00 60.65 62.90 1r8p s ILE 68 Cb -0.87 -3.98 0.31 0.00 0.01 0.00 0.00 42.46 37.93 1r8p s ILE 68 CO 0.51 0.53 0.71 -0.81 0.00 0.00 0.00 174.94 175.87 1r8p n PRO 69 N 1.83 -3.92 0.00 2.79 -0.04 -1.26 -4.87 135.00 129.52 1r8p n PRO 69 Ca -0.08 -1.16 0.15 0.00 -0.04 0.00 0.00 63.50 62.36 1r8p n PRO 69 Cb 0.50 -1.79 0.66 0.00 -0.04 0.00 0.00 33.50 32.84 1r8p n PRO 69 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1r8p n LYS 70 N -4.44 1.34 0.03 0.54 2.85 -1.26 -3.66 118.16 113.55 1r8p n LYS 70 Ca 0.11 -0.58 -0.08 0.00 -1.05 0.00 0.00 58.31 56.70 1r8p n LYS 70 Cb 0.51 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 33.27 1r8p n LYS 70 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1r8p h THR 71 N 1.41 1.32 -3.61 0.58 1.35 -1.95 -3.43 112.91 108.58 1r8p h THR 71 Ca 0.00 -3.09 -0.65 0.00 -0.55 0.00 0.00 66.41 62.12 1r8p h THR 71 Cb 0.33 2.67 -0.16 0.00 -1.73 0.00 0.00 68.15 69.26 1r8p h THR 71 CO 0.00 0.77 -0.09 -0.63 -0.25 0.00 0.00 175.52 175.31 1r8p s ILE 72 N -2.66 5.04 0.07 6.82 1.01 -1.24 -4.70 121.20 125.55 1r8p s ILE 72 Ca -0.02 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 1r8p s ILE 72 Cb 0.09 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1r8p s ILE 72 CO 0.82 -0.21 0.35 -0.89 0.00 0.00 0.00 174.94 175.02 1r8p s THR 73 N 2.33 5.18 0.03 2.92 2.01 -1.22 -4.82 115.64 122.07 1r8p s THR 73 Ca 0.17 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 1r8p s THR 73 Cb -0.16 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1r8p s THR 73 CO 0.13 0.25 0.15 0.54 -0.69 0.00 0.00 174.62 175.00 1r8p s VAL 74 N -1.43 0.12 0.31 3.82 0.11 -1.26 -1.83 120.40 120.24 1r8p s VAL 74 Ca 0.33 -0.96 0.07 0.00 -2.93 0.00 0.00 61.98 58.49 1r8p s VAL 74 Cb -0.13 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1r8p s VAL 74 CO 0.19 -0.53 0.27 -0.24 -3.33 0.00 0.00 175.10 171.46 1r8p n SER 75 N 0.80 -0.67 -4.82 3.54 2.88 -1.00 -4.96 113.62 109.38 1r8p n SER 75 Ca -0.19 -3.08 -0.22 0.00 -1.33 0.00 0.00 58.87 54.05 1r8p n SER 75 Cb 0.58 1.59 -0.04 0.00 -0.75 0.00 0.00 64.21 65.59 1r8p n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1r8p s THR 76 N -3.28 3.65 0.21 2.46 -4.23 -1.26 -2.91 115.64 110.27 1r8p s THR 76 Ca 0.38 -1.44 -0.15 0.00 -1.18 0.00 0.00 61.69 59.30 1r8p s THR 76 Cb 0.02 -3.19 0.06 0.00 1.34 0.00 0.00 72.50 70.72 1r8p s THR 76 CO 0.27 -0.22 0.75 0.61 -0.54 0.00 0.00 174.62 175.49 1r8p n GLY 77 N -1.29 0.90 3.18 3.99 0.00 -1.20 -4.92 105.19 105.86 1r8p n GLY 77 Ca -0.03 -1.14 -0.13 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 -3.14 -0.23 0.45 1.61 0.08 -1.26 -3.02 117.98 112.47 1r8p s PHE 78 Ca 0.16 0.50 0.06 0.00 0.12 0.00 0.00 56.93 57.77 1r8p s PHE 78 Cb -0.03 0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.46 1r8p s PHE 78 CO 0.06 -0.24 0.15 -1.64 -0.10 0.00 0.00 175.22 173.46 1r8p s MET 79 N -0.47 2.18 -0.29 0.44 -1.94 -1.16 -4.95 119.30 113.10 1r8p s MET 79 Ca -0.06 -2.00 -0.01 0.00 -1.71 0.00 0.00 55.69 51.91 1r8p s MET 79 Cb -0.04 -1.87 0.09 0.00 2.01 0.00 0.00 34.83 35.02 1r8p s MET 79 CO 0.02 -0.21 0.09 0.45 -0.01 0.00 0.00 175.02 175.35 1r8p s SER 80 N -3.92 3.83 0.00 3.03 0.15 -1.26 -3.62 113.70 111.91 1r8p s SER 80 Ca 0.34 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1r8p s SER 80 Cb 0.04 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1r8p s SER 80 CO 0.19 -0.40 0.00 2.30 1.20 0.00 0.00 173.24 176.53