#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 3.94 0.53 2.03 2.01 -1.25 -4.92 115.64 117.97 1r8p s THR 2 Ca 0.00 1.26 -0.18 0.00 0.31 0.00 0.00 61.69 63.08 1r8p s THR 2 Cb 0.00 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.63 1r8p s THR 2 CO 0.00 -0.04 1.02 -2.16 -0.69 0.00 0.00 174.62 172.75 1r8p s PRO 3 N 2.75 3.73 0.30 4.92 0.04 -1.24 -2.90 135.00 142.59 1r8p s PRO 3 Ca 0.61 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1r8p s PRO 3 Cb -0.28 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1r8p s PRO 3 CO 0.23 -0.46 0.35 0.96 0.04 0.00 0.00 177.00 178.11 1r8p s ILE 4 N -2.37 0.00 -0.10 0.56 -4.36 -1.07 -0.94 121.20 112.92 1r8p s ILE 4 Ca 0.63 -1.79 -0.05 0.00 -0.26 0.00 0.00 60.65 59.18 1r8p s ILE 4 Cb -0.13 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.10 1r8p s ILE 4 CO 0.29 0.00 0.24 0.68 0.24 0.00 0.00 174.94 176.39 1r8p s VAL 5 N -3.47 -0.07 -0.30 8.37 -7.23 -0.97 -3.45 120.40 113.28 1r8p s VAL 5 Ca 0.35 0.16 -0.09 0.00 -1.81 0.00 0.00 61.98 60.59 1r8p s VAL 5 Cb 0.02 -0.38 -0.01 0.00 0.56 0.00 0.00 36.38 36.57 1r8p s VAL 5 CO 0.20 0.07 0.13 -1.00 -0.31 0.00 0.00 175.10 174.19 1r8p s HIS 6 N 1.37 3.16 -0.03 2.82 3.76 -1.24 -2.61 115.29 122.51 1r8p s HIS 6 Ca -0.08 -0.57 0.02 0.00 -0.15 0.00 0.00 55.06 54.28 1r8p s HIS 6 Cb -0.11 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 1r8p s HIS 6 CO -0.08 -0.44 -0.05 -0.51 -0.85 0.00 0.00 174.74 172.81 1r8p s LEU 7 N 1.61 3.28 0.15 0.89 1.02 -1.18 -3.57 118.68 120.88 1r8p s LEU 7 Ca 0.05 -0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 1r8p s LEU 7 Cb -0.17 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 1r8p s LEU 7 CO 0.05 0.32 0.12 -0.75 0.02 0.00 0.00 176.35 176.11 1r8p s LYS 8 N -1.19 1.04 0.00 1.70 2.20 -1.25 -2.50 119.74 119.73 1r8p s LYS 8 Ca 0.16 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 1r8p s LYS 8 Cb -0.11 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1r8p s LYS 8 CO 0.06 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1r8p n GLY 9 N -0.16 -0.07 3.75 5.54 0.00 -1.25 -3.80 105.19 109.21 1r8p n GLY 9 Ca -0.04 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.00 6.64 0.55 1.61 2.15 -1.26 -4.48 116.67 117.87 1r8p s ASP 10 Ca 0.00 2.72 0.33 0.00 0.43 0.00 0.00 52.55 56.03 1r8p s ASP 10 Cb 0.00 -2.63 1.50 0.00 -0.30 0.00 0.00 42.92 41.49 1r8p s ASP 10 CO 0.00 -0.69 1.85 0.00 -0.17 0.00 0.00 175.17 176.16 1r8p h ALA 11 N 4.50 2.89 0.05 3.66 0.00 -1.89 -0.46 119.26 128.01 1r8p h ALA 11 Ca -0.47 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1r8p h ALA 11 Cb 1.22 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1r8p h ALA 11 CO 0.74 -1.21 -0.47 -0.91 0.00 0.00 0.00 179.25 177.40 1r8p h ASN 12 N 0.00 0.33 0.00 0.00 2.35 -1.92 -3.16 115.58 113.18 1r8p h ASN 12 Ca 0.46 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1r8p h ASN 12 Cb 1.87 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.14 1r8p h ASN 12 CO -0.00 1.17 0.07 0.41 -1.65 0.00 0.00 177.43 177.42 1r8p n THR 13 N -4.34 1.07 0.04 2.81 -1.04 -0.22 -1.48 114.28 111.12 1r8p n THR 13 Ca -0.11 0.70 -0.20 0.00 -2.04 0.00 0.00 64.05 62.40 1r8p n THR 13 Cb 0.64 -1.70 -0.14 0.00 -1.82 0.00 0.00 70.33 67.31 1r8p n THR 13 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1r8p h LEU 14 N 0.00 0.45 -1.27 -4.42 3.38 -1.43 -3.26 115.31 108.76 1r8p h LEU 14 Ca 0.00 -0.80 0.01 0.00 0.09 0.00 0.00 57.88 57.18 1r8p h LEU 14 Cb 0.13 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1r8p h LEU 14 CO 0.00 1.69 0.49 0.50 0.09 0.00 0.00 178.44 181.22 1r8p h LYS 15 N 0.08 0.98 -0.27 1.13 3.64 -1.26 -2.28 116.57 118.59 1r8p h LYS 15 Ca -0.36 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 58.81 1r8p h LYS 15 Cb 2.05 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 1r8p h LYS 15 CO 0.13 0.65 -0.44 0.00 -2.27 0.00 0.00 179.45 177.52 1r8p h LEU 17 N 0.55 0.08 -1.27 0.00 3.38 -1.46 -1.82 115.31 114.77 1r8p h LEU 17 Ca 0.04 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.31 1r8p h LEU 17 Cb 0.98 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1r8p h LEU 17 CO 0.09 0.07 0.67 -0.09 0.09 0.00 0.00 178.44 179.27 1r8p h ARG 18 N 0.15 0.37 -0.09 1.13 2.43 -1.49 0.54 114.38 117.42 1r8p h ARG 18 Ca 0.07 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1r8p h ARG 18 Cb 0.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1r8p h ARG 18 CO -0.07 0.25 -0.19 -0.92 -1.51 0.00 0.00 179.97 177.53 1r8p h TYR 19 N 0.38 0.15 -0.02 2.20 5.03 -1.39 -2.39 116.97 120.93 1r8p h TYR 19 Ca 0.64 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.82 1r8p h TYR 19 Cb 1.60 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.82 1r8p h TYR 19 CO -0.00 0.33 -0.52 0.00 -1.32 0.00 0.00 178.16 176.65 1r8p h ARG 20 N 0.14 0.05 0.00 1.82 2.47 0.15 -2.64 114.38 116.36 1r8p h ARG 20 Ca 0.03 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1r8p h ARG 20 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1r8p h ARG 20 CO 0.03 0.56 0.00 0.74 0.56 0.00 0.00 179.97 181.85 1r8p h PHE 21 N 0.04 0.00 -0.23 3.04 0.04 -1.24 -2.63 116.94 115.96 1r8p h PHE 21 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1r8p h PHE 21 Cb 0.93 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1r8p h PHE 21 CO 0.00 0.00 -0.04 0.87 -0.60 0.00 0.00 178.31 178.54 1r8p h LYS 22 N 0.00 0.36 0.00 1.51 1.79 -1.51 0.62 116.57 119.33 1r8p h LYS 22 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1r8p h LYS 22 Cb 0.29 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1r8p h LYS 22 CO 0.00 0.42 0.00 1.63 -1.08 0.00 0.00 179.45 180.42 1r8p n LYS 23 N -4.30 0.04 -2.72 3.15 4.76 -0.99 -3.70 118.16 114.40 1r8p n LYS 23 Ca 0.00 0.16 -0.06 0.00 -2.87 0.00 0.00 58.31 55.55 1r8p n LYS 23 Cb 0.23 -1.56 0.06 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 -1.64 0.36 0.16 2.13 8.25 -0.47 -4.91 115.22 119.11 1r8p n HIS 24 Ca 0.05 -2.39 0.10 0.00 -0.26 0.00 0.00 57.72 55.22 1r8p n HIS 24 Cb 0.27 0.13 0.52 0.00 1.12 0.00 0.00 29.99 32.03 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 -2.20 1.86 -0.03 0.00 -2.24 -1.26 -4.18 114.28 106.22 1r8p n THR 26 Ca -0.01 -1.06 -0.15 0.00 -2.27 0.00 0.00 64.05 60.56 1r8p n THR 26 Cb 0.13 -0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.75 1.72 -4.88 3.22 4.32 0.51 -4.96 117.00 117.69 1r8p n LEU 27 Ca 0.22 0.23 -0.23 0.00 -0.02 0.00 0.00 56.01 56.21 1r8p n LEU 27 Cb 0.89 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 42.23 1r8p n LEU 27 CO 0.23 0.65 0.02 -0.72 -1.22 0.00 0.00 177.39 176.35 1r8p s TYR 28 N -2.56 2.34 -0.21 -1.77 -0.85 -1.26 -4.84 117.35 108.20 1r8p s TYR 28 Ca -0.16 -0.61 0.15 0.00 -0.52 0.00 0.00 57.07 55.93 1r8p s TYR 28 Cb 0.07 -2.08 -0.23 0.00 0.38 0.00 0.00 41.96 40.10 1r8p s TYR 28 CO 0.78 -0.24 0.02 2.41 -1.52 0.00 0.00 175.55 177.00 1r8p n THR 29 N -1.61 1.41 -3.64 -3.49 -1.04 0.13 -4.94 114.28 101.09 1r8p n THR 29 Ca 0.02 -0.80 -0.01 0.00 -2.04 0.00 0.00 64.05 61.22 1r8p n THR 29 Cb 0.63 -0.67 -0.04 0.00 -1.82 0.00 0.00 70.33 68.43 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 -2.02 -0.35 2.41 0.00 -1.21 -4.99 121.76 113.10 1r8p s ALA 30 Ca -0.15 2.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.91 1r8p s ALA 30 Cb 0.07 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1r8p s ALA 30 CO 0.78 -0.93 0.71 0.54 0.00 0.00 0.00 175.76 176.86 1r8p s VAL 31 N 2.89 4.82 0.41 0.00 0.11 -1.26 -3.10 120.40 124.27 1r8p s VAL 31 Ca -0.06 0.77 -0.15 0.00 -2.93 0.00 0.00 61.98 59.61 1r8p s VAL 31 Cb -0.12 -4.13 -0.08 0.00 -1.53 0.00 0.00 36.38 30.52 1r8p s VAL 31 CO -0.19 -0.35 0.84 -0.55 -3.33 0.00 0.00 175.10 171.52 1r8p s SER 32 N 1.79 6.67 1.04 3.54 0.15 -1.13 -5.04 113.70 120.71 1r8p s SER 32 Ca 0.28 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 58.16 1r8p s SER 32 Cb -0.14 -2.41 0.21 0.00 -1.71 0.00 0.00 66.02 61.97 1r8p s SER 32 CO 0.15 -0.39 1.08 -0.94 1.20 0.00 0.00 173.24 174.35 1r8p s SER 33 N -2.77 2.00 0.05 5.45 1.04 -1.26 -4.52 113.70 113.68 1r8p s SER 33 Ca 0.55 1.82 -0.31 0.00 0.48 0.00 0.00 55.95 58.50 1r8p s SER 33 Cb -0.10 -2.42 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 1r8p s SER 33 CO 0.25 -3.62 1.49 -0.89 0.98 0.00 0.00 173.24 171.45 1r8p s THR 34 N -2.57 3.36 0.14 2.02 2.01 -1.26 -4.63 115.64 114.71 1r8p s THR 34 Ca 0.67 0.83 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 1r8p s THR 34 Cb -0.24 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1r8p s THR 34 CO 0.61 0.01 0.21 -1.66 -0.69 0.00 0.00 174.62 173.10 1r8p s TRP 35 N 2.20 0.48 0.30 4.92 1.48 0.42 -4.85 118.94 123.88 1r8p s TRP 35 Ca 0.68 -0.86 -0.15 0.00 -1.06 0.00 0.00 56.10 54.71 1r8p s TRP 35 Cb -0.36 -0.17 0.06 0.00 -1.16 0.00 0.00 33.47 31.84 1r8p s TRP 35 CO 0.29 -0.64 0.76 -2.39 -4.06 0.00 0.00 176.95 170.91 1r8p n HIS 36 N -0.16 -1.94 -2.67 1.66 1.44 -1.26 -1.91 115.22 110.38 1r8p n HIS 36 Ca -0.08 -1.49 -0.42 0.00 -2.01 0.00 0.00 57.72 53.71 1r8p n HIS 36 Cb 0.63 0.74 -0.03 0.00 0.12 0.00 0.00 29.99 31.46 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 -2.85 3.52 0.00 -1.40 0.23 -1.26 -4.99 118.94 112.18 1r8p s TRP 37 Ca 0.16 1.58 0.00 0.00 -2.03 0.00 0.00 56.10 55.81 1r8p s TRP 37 Cb -0.04 -3.20 0.00 0.00 0.03 0.00 0.00 33.47 30.27 1r8p s TRP 37 CO 0.09 -0.28 0.00 -2.37 0.96 0.00 0.00 176.95 175.35 1r8p n THR 38 N 4.40 0.00 0.09 2.01 5.66 -1.26 -5.05 114.28 120.13 1r8p n THR 38 Ca 0.08 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.86 1r8p n THR 38 Cb 0.49 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.12 1r8p n THR 38 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1r8p h GLY 39 N 0.00 0.46 -1.31 1.09 0.00 -2.03 -3.49 103.07 97.79 1r8p h GLY 39 Ca 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.14 1r8p h GLY 39 CO 0.00 1.04 0.26 -1.58 0.00 0.00 0.00 176.54 176.25 1r8p s HIS 40 N -2.53 0.07 -0.83 5.60 2.46 -1.26 -5.05 115.29 113.76 1r8p s HIS 40 Ca -0.13 -0.70 -0.21 0.00 0.47 0.00 0.00 55.06 54.49 1r8p s HIS 40 Cb 0.03 0.80 -0.19 0.00 -0.13 0.00 0.00 32.58 33.10 1r8p s HIS 40 CO 0.87 -1.50 2.15 0.09 -2.47 0.00 0.00 174.74 173.88 1r8p n ASN 41 N -1.21 0.74 0.00 9.88 5.03 -1.26 -4.40 115.26 124.04 1r8p n ASN 41 Ca -0.07 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.77 1r8p n ASN 41 Cb 0.60 -1.39 0.00 0.00 -1.02 0.00 0.00 39.78 37.97 1r8p n ASN 41 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1r8p n VAL 42 N 7.92 0.00 -3.74 2.41 0.24 -1.26 -5.03 118.33 118.87 1r8p n VAL 42 Ca 0.44 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.52 1r8p n VAL 42 Cb 0.40 0.57 -0.12 0.00 -1.47 0.00 0.00 33.84 33.22 1r8p n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1r8p s LYS 43 N -1.59 0.26 0.00 7.34 -0.14 -1.26 -5.02 119.74 119.33 1r8p s LYS 43 Ca 0.00 0.52 0.22 0.00 -1.36 0.00 0.00 55.97 55.36 1r8p s LYS 43 Cb 0.00 -0.03 0.37 0.00 -1.68 0.00 0.00 37.83 36.49 1r8p s LYS 43 CO 0.00 -0.13 1.35 -2.39 -0.76 0.00 0.00 175.35 173.42 1r8p n HIS 44 N 3.89 0.41 -0.05 3.18 1.44 -1.26 -4.52 115.22 118.30 1r8p n HIS 44 Ca -0.22 -0.22 -0.01 0.00 -2.01 0.00 0.00 57.72 55.27 1r8p n HIS 44 Cb 0.55 -0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.65 1r8p n HIS 44 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1r8p h LYS 45 N 4.31 0.00 -6.19 -1.40 3.64 -2.00 -3.46 116.57 111.48 1r8p h LYS 45 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1r8p h LYS 45 Cb 0.96 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 32.95 1r8p h LYS 45 CO 0.00 0.00 -0.85 0.43 -2.27 0.00 0.00 179.45 176.76 1r8p n SER 46 N -4.73 -2.60 -3.47 4.20 7.64 -1.26 -3.80 113.62 109.60 1r8p n SER 46 Ca -0.01 0.71 0.03 0.00 1.01 0.00 0.00 58.87 60.60 1r8p n SER 46 Cb 0.04 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.22 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r8p s ALA 47 N -1.86 -2.91 -0.00 -0.43 0.00 -1.26 -4.85 121.76 110.44 1r8p s ALA 47 Ca 0.61 1.91 -0.04 0.00 0.00 0.00 0.00 51.96 54.44 1r8p s ALA 47 Cb -0.49 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 1r8p s ALA 47 CO 0.61 -0.58 0.07 0.42 0.00 0.00 0.00 175.76 176.29 1r8p s ILE 48 N 1.45 0.07 -0.14 0.00 1.01 -0.80 -3.81 121.20 118.97 1r8p s ILE 48 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1r8p s ILE 48 Cb -0.02 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.18 1r8p s ILE 48 CO -0.12 -0.32 -0.13 -0.69 0.00 0.00 0.00 174.94 173.68 1r8p s VAL 49 N -1.03 1.48 0.20 2.92 1.01 -1.04 -0.43 120.40 123.50 1r8p s VAL 49 Ca -0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1r8p s VAL 49 Cb -0.07 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 1r8p s VAL 49 CO 0.00 0.44 0.45 -0.89 0.00 0.00 0.00 175.10 175.10 1r8p s THR 50 N 1.52 5.10 -0.03 3.92 2.01 -1.26 -3.10 115.64 123.81 1r8p s THR 50 Ca 0.05 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.10 1r8p s THR 50 Cb -0.13 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1r8p s THR 50 CO -0.10 -0.10 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.95 1r8p s LEU 51 N -3.01 1.36 -0.12 4.42 1.43 -1.07 -2.85 118.68 118.84 1r8p s LEU 51 Ca 0.42 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 1r8p s LEU 51 Cb -0.11 -0.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 1r8p s LEU 51 CO 0.26 -0.06 0.23 0.42 0.23 0.00 0.00 176.35 177.42 1r8p s THR 52 N 0.79 5.35 0.18 5.49 -4.23 -1.18 -2.29 115.64 119.75 1r8p s THR 52 Ca -0.08 0.41 0.10 0.00 -1.18 0.00 0.00 61.69 60.93 1r8p s THR 52 Cb -0.12 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1r8p s THR 52 CO -0.01 0.53 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.15 1r8p s TYR 53 N -0.51 2.53 -0.70 3.99 1.51 -0.11 0.17 117.35 124.22 1r8p s TYR 53 Ca 0.16 -0.26 0.24 0.00 -1.01 0.00 0.00 57.07 56.20 1r8p s TYR 53 Cb -0.13 -1.25 0.31 0.00 -0.11 0.00 0.00 41.96 40.78 1r8p s TYR 53 CO 0.05 0.50 1.28 -0.25 -1.11 0.00 0.00 175.55 176.02 1r8p n ASP 54 N 0.17 0.64 -3.94 2.29 8.00 -1.26 -3.73 116.55 118.72 1r8p n ASP 54 Ca -0.12 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.27 1r8p n ASP 54 Cb 0.55 0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.87 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1r8p s SER 55 N -3.92 0.16 -0.03 -2.24 0.01 -1.26 -4.95 113.70 101.47 1r8p s SER 55 Ca 0.07 -0.42 -0.23 0.00 1.31 0.00 0.00 55.95 56.68 1r8p s SER 55 Cb 0.14 0.16 -0.17 0.00 0.21 0.00 0.00 66.02 66.37 1r8p s SER 55 CO 0.73 -0.37 1.01 -0.33 0.41 0.00 0.00 173.24 174.70 1r8p h GLU 56 N 4.30 -0.23 -0.81 12.44 5.08 -1.94 -3.16 114.58 130.26 1r8p h GLU 56 Ca -0.32 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1r8p h GLU 56 Cb 1.20 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1r8p h GLU 56 CO 0.43 0.18 0.53 0.11 -1.00 0.00 0.00 179.01 179.27 1r8p h TRP 57 N -0.79 0.59 -0.85 4.33 0.09 -2.01 -0.09 115.95 117.21 1r8p h TRP 57 Ca -0.02 0.02 0.08 0.00 0.09 0.00 0.00 58.89 59.05 1r8p h TRP 57 Cb 0.52 -0.18 -0.06 0.00 0.08 0.00 0.00 29.16 29.52 1r8p h TRP 57 CO 0.07 0.22 0.55 0.37 0.09 0.00 0.00 178.44 179.74 1r8p h GLN 58 N 0.50 0.87 -0.99 0.12 4.15 -1.95 -0.83 115.11 116.98 1r8p h GLN 58 Ca 0.40 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.79 1r8p h GLN 58 Cb 0.84 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1r8p h GLN 58 CO -0.15 0.58 0.65 -0.09 -1.93 0.00 0.00 178.83 177.89 1r8p h ARG 59 N 0.90 1.27 -0.91 1.69 2.43 -1.02 -2.06 114.38 116.69 1r8p h ARG 59 Ca 0.38 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1r8p h ARG 59 Cb 0.30 -0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1r8p h ARG 59 CO -0.15 0.84 0.53 -0.44 -1.51 0.00 0.00 179.97 179.25 1r8p h ASP 60 N 1.31 1.10 -0.61 -3.80 3.32 -1.17 -2.59 116.42 113.99 1r8p h ASP 60 Ca 0.37 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 1r8p h ASP 60 Cb -0.11 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.14 1r8p h ASP 60 CO -0.09 0.86 0.05 1.56 -1.72 0.00 0.00 179.24 179.90 1r8p h GLN 61 N 1.26 1.03 -1.00 3.56 4.20 -1.14 -2.72 115.11 120.29 1r8p h GLN 61 Ca 0.32 -0.30 0.10 0.00 0.06 0.00 0.00 58.65 58.83 1r8p h GLN 61 Cb -0.03 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.57 1r8p h GLN 61 CO -0.06 0.99 0.64 0.35 -0.67 0.00 0.00 178.83 180.08 1r8p h PHE 62 N 0.94 1.15 -0.08 2.96 3.57 -1.04 0.26 116.94 124.69 1r8p h PHE 62 Ca 0.18 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1r8p h PHE 62 Cb 0.49 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1r8p h PHE 62 CO 0.04 0.51 0.07 -0.07 -2.23 0.00 0.00 178.31 176.63 1r8p h LEU 63 N 1.06 0.00 -0.60 0.59 3.38 -1.26 0.15 115.31 118.62 1r8p h LEU 63 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1r8p h LEU 63 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1r8p h LEU 63 CO -0.22 0.00 -0.51 -1.54 0.09 0.00 0.00 178.44 176.26 1r8p n SER 64 N -4.16 1.44 -0.04 -0.43 3.41 0.72 -4.12 113.62 110.43 1r8p n SER 64 Ca -0.01 -1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 57.40 1r8p n SER 64 Cb 0.18 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 1r8p n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r8p n GLN 65 N -0.58 0.66 -3.65 4.33 1.13 0.37 -4.70 117.38 114.94 1r8p n GLN 65 Ca 0.09 0.11 -0.29 0.00 -1.94 0.00 0.00 57.00 54.97 1r8p n GLN 65 Cb 0.40 -1.66 -0.12 0.00 0.11 0.00 0.00 30.24 28.97 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 -2.69 1.32 0.13 5.09 -7.23 -0.27 -5.01 120.40 111.74 1r8p s VAL 66 Ca -0.07 -2.85 -0.33 0.00 -1.81 0.00 0.00 61.98 56.92 1r8p s VAL 66 Cb 0.08 -1.91 -0.18 0.00 0.56 0.00 0.00 36.38 34.93 1r8p s VAL 66 CO 0.83 -1.01 0.83 2.29 -0.31 0.00 0.00 175.10 177.73 1r8p n LYS 67 N 3.10 0.25 -3.27 4.82 2.85 -1.26 -4.82 118.16 119.82 1r8p n LYS 67 Ca 0.17 0.09 -0.33 0.00 -1.05 0.00 0.00 58.31 57.19 1r8p n LYS 67 Cb 0.38 -1.35 -0.06 0.00 -0.65 0.00 0.00 35.03 33.35 1r8p n LYS 67 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1r8p s ILE 68 N -0.54 4.79 0.00 0.58 1.09 -1.26 -5.08 121.20 120.78 1r8p s ILE 68 Ca 0.74 0.78 0.00 0.00 -1.10 0.00 0.00 60.65 61.07 1r8p s ILE 68 Cb -1.02 -3.66 0.00 0.00 -1.06 0.00 0.00 42.46 36.73 1r8p s ILE 68 CO 0.56 -0.04 0.00 -0.81 -0.10 0.00 0.00 174.94 174.55 1r8p n PRO 69 N 0.01 0.99 -0.88 2.79 -0.04 -1.26 -4.93 135.00 131.67 1r8p n PRO 69 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1r8p n PRO 69 Cb 0.52 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.26 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 -0.01 3.15 0.00 0.54 5.02 -1.26 -4.41 118.16 121.19 1r8p n LYS 70 Ca 0.00 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1r8p n LYS 70 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1r8p n LYS 70 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r8p n THR 71 N -0.46 0.00 -3.38 -0.18 -2.24 -1.26 -5.08 114.28 101.68 1r8p n THR 71 Ca 0.37 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.76 1r8p n THR 71 Cb 1.24 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.85 1r8p n THR 71 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r8p s ILE 72 N 0.00 5.17 -0.15 2.28 -1.09 -1.25 -4.41 121.20 121.74 1r8p s ILE 72 Ca 0.00 0.63 -0.15 0.00 -2.23 0.00 0.00 60.65 58.89 1r8p s ILE 72 Cb 0.00 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 1r8p s ILE 72 CO 0.00 0.17 0.35 -0.89 -1.23 0.00 0.00 174.94 173.34 1r8p s THR 73 N 1.93 5.27 -0.42 2.92 2.01 -1.25 -4.83 115.64 121.27 1r8p s THR 73 Ca 0.16 0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.79 1r8p s THR 73 Cb -0.15 -3.69 0.11 0.00 0.01 0.00 0.00 72.50 68.78 1r8p s THR 73 CO 0.09 0.36 0.22 0.54 -0.69 0.00 0.00 174.62 175.15 1r8p s VAL 74 N 0.56 3.45 0.53 3.82 0.11 -1.26 -3.50 120.40 124.10 1r8p s VAL 74 Ca 0.19 -1.98 0.09 0.00 -2.93 0.00 0.00 61.98 57.35 1r8p s VAL 74 Cb -0.14 -3.33 0.06 0.00 -1.53 0.00 0.00 36.38 31.44 1r8p s VAL 74 CO 0.06 -0.69 0.72 -0.44 -3.33 0.00 0.00 175.10 171.43 1r8p s SER 75 N 1.95 5.27 0.15 3.54 0.01 -1.23 -4.90 113.70 118.49 1r8p s SER 75 Ca 0.07 -0.72 0.06 0.00 1.31 0.00 0.00 55.95 56.67 1r8p s SER 75 Cb -0.23 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1r8p s SER 75 CO -0.03 -1.17 0.03 0.42 0.41 0.00 0.00 173.24 172.90 1r8p s THR 76 N -2.57 3.98 0.33 1.44 -4.23 -1.26 -3.71 115.64 109.61 1r8p s THR 76 Ca 0.60 -1.21 -0.18 0.00 -1.18 0.00 0.00 61.69 59.72 1r8p s THR 76 Cb -0.07 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.85 1r8p s THR 76 CO 0.37 -0.04 0.85 -0.83 -0.54 0.00 0.00 174.62 174.43 1r8p s GLY 77 N -2.78 0.28 -0.11 3.99 0.00 -1.22 -4.96 107.32 102.52 1r8p s GLY 77 Ca 0.28 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 44.28 1r8p s GLY 77 CO 0.20 0.38 0.28 -1.36 0.00 0.00 0.00 173.10 172.60 1r8p s PHE 78 N -2.35 -0.32 -0.03 1.90 0.08 -1.26 -2.59 117.98 113.42 1r8p s PHE 78 Ca 0.17 0.77 0.05 0.00 0.12 0.00 0.00 56.93 58.04 1r8p s PHE 78 Cb -0.04 0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 42.50 1r8p s PHE 78 CO 0.10 -0.16 -0.18 -1.64 -0.10 0.00 0.00 175.22 173.24 1r8p s MET 79 N 0.25 1.59 -0.31 0.44 -1.94 -1.14 -4.97 119.30 113.22 1r8p s MET 79 Ca -0.01 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 1r8p s MET 79 Cb -0.03 -1.47 0.09 0.00 2.01 0.00 0.00 34.83 35.43 1r8p s MET 79 CO -0.00 0.33 0.05 -1.12 -0.01 0.00 0.00 175.02 174.27 1r8p s SER 80 N -0.25 4.28 0.00 3.03 0.01 -1.26 -3.92 113.70 115.58 1r8p s SER 80 Ca 0.03 -1.75 0.29 0.00 1.31 0.00 0.00 55.95 55.82 1r8p s SER 80 Cb -0.09 -1.21 1.17 0.00 0.21 0.00 0.00 66.02 66.10 1r8p s SER 80 CO 0.00 -0.37 1.81 -0.38 0.41 0.00 0.00 173.24 174.72