#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 4.43 0.40 2.03 -4.23 -1.25 -4.97 115.64 112.04 1r8p s THR 2 Ca 0.00 -1.03 -0.26 0.00 -1.18 0.00 0.00 61.69 59.22 1r8p s THR 2 Cb 0.00 -3.54 -0.09 0.00 1.34 0.00 0.00 72.50 70.21 1r8p s THR 2 CO 0.00 -0.31 1.22 -2.16 -0.54 0.00 0.00 174.62 172.83 1r8p s PRO 3 N 1.51 4.04 0.14 3.99 0.04 -1.26 -3.17 135.00 140.29 1r8p s PRO 3 Ca 0.02 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 1r8p s PRO 3 Cb -0.20 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 1r8p s PRO 3 CO 0.05 -0.37 0.19 0.96 0.04 0.00 0.00 177.00 177.87 1r8p s ILE 4 N -1.34 0.09 -0.02 0.56 -4.36 -1.22 -1.68 121.20 113.23 1r8p s ILE 4 Ca 0.56 -1.57 -0.07 0.00 -0.26 0.00 0.00 60.65 59.32 1r8p s ILE 4 Cb -0.34 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1r8p s ILE 4 CO 0.43 -0.40 0.14 0.68 0.24 0.00 0.00 174.94 176.03 1r8p s VAL 5 N -3.99 0.06 -0.19 8.37 -7.23 -0.89 -2.39 120.40 114.14 1r8p s VAL 5 Ca 0.18 -0.50 -0.06 0.00 -1.81 0.00 0.00 61.98 59.79 1r8p s VAL 5 Cb 0.05 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1r8p s VAL 5 CO -0.00 -0.27 0.04 -1.00 -0.31 0.00 0.00 175.10 173.55 1r8p s HIS 6 N -0.96 3.15 -0.07 2.82 3.76 -1.10 -2.15 115.29 120.74 1r8p s HIS 6 Ca -0.10 -0.13 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 1r8p s HIS 6 Cb -0.06 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 1r8p s HIS 6 CO 0.01 -0.00 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.20 1r8p s LEU 7 N 0.62 2.43 0.12 0.89 1.02 -0.88 -2.88 118.68 120.00 1r8p s LEU 7 Ca 0.02 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.79 1r8p s LEU 7 Cb -0.13 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 1r8p s LEU 7 CO 0.02 0.27 0.05 -0.75 0.02 0.00 0.00 176.35 175.95 1r8p s LYS 8 N -0.27 0.88 0.00 1.70 2.20 -1.25 -1.61 119.74 121.39 1r8p s LYS 8 Ca 0.01 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.22 1r8p s LYS 8 Cb -0.13 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1r8p s LYS 8 CO 0.03 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1r8p n GLY 9 N -0.06 -0.97 3.76 5.54 0.00 -1.26 -3.59 105.19 108.60 1r8p n GLY 9 Ca -0.07 -1.52 -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 -2.02 6.63 0.62 1.61 1.01 -1.26 -4.67 116.67 118.59 1r8p s ASP 10 Ca 0.00 2.73 0.26 0.00 0.71 0.00 0.00 52.55 56.26 1r8p s ASP 10 Cb 0.00 -2.64 1.32 0.00 1.01 0.00 0.00 42.92 42.61 1r8p s ASP 10 CO 0.00 -0.69 1.74 0.00 0.21 0.00 0.00 175.17 176.43 1r8p h ALA 11 N 4.36 1.98 0.55 5.23 0.00 -1.97 -1.65 119.26 127.76 1r8p h ALA 11 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1r8p h ALA 11 Cb 1.22 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1r8p h ALA 11 CO 0.73 -0.75 -0.27 -0.91 0.00 0.00 0.00 179.25 178.06 1r8p h ASN 12 N 0.00 -0.63 -0.03 0.00 2.35 -2.02 -3.04 115.58 112.21 1r8p h ASN 12 Ca 0.16 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1r8p h ASN 12 Cb 1.31 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.84 1r8p h ASN 12 CO -0.00 -0.22 0.11 0.71 -1.65 0.00 0.00 177.43 176.37 1r8p h THR 13 N -1.19 0.15 -0.26 2.81 1.35 -1.68 -1.96 112.91 112.13 1r8p h THR 13 Ca -0.08 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.74 1r8p h THR 13 Cb 0.58 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1r8p h THR 13 CO 0.12 0.00 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.30 1r8p h LEU 14 N 0.00 0.47 -1.88 3.87 3.38 -1.34 -2.80 115.31 117.01 1r8p h LEU 14 Ca 0.02 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1r8p h LEU 14 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1r8p h LEU 14 CO -0.00 0.69 0.09 0.50 0.09 0.00 0.00 178.44 179.81 1r8p h LYS 15 N 0.23 0.17 -0.31 1.13 3.64 -1.27 -2.34 116.57 117.82 1r8p h LYS 15 Ca 0.07 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1r8p h LYS 15 Cb 0.47 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1r8p h LYS 15 CO 0.02 0.11 -0.33 0.00 -2.27 0.00 0.00 179.45 176.98 1r8p h LEU 17 N 0.54 -0.34 -1.62 0.00 3.38 -1.18 -1.35 115.31 114.75 1r8p h LEU 17 Ca 0.05 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.18 1r8p h LEU 17 Cb 0.91 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1r8p h LEU 17 CO 0.08 -0.21 0.66 -0.09 0.09 0.00 0.00 178.44 178.97 1r8p h ARG 18 N -0.32 0.00 -0.67 1.13 2.43 -1.56 0.16 114.38 115.54 1r8p h ARG 18 Ca -0.01 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1r8p h ARG 18 Cb 0.28 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1r8p h ARG 18 CO 0.00 0.00 0.17 -0.92 -1.51 0.00 0.00 179.97 177.71 1r8p h TYR 19 N 0.00 1.13 0.00 2.20 5.03 -1.27 -2.17 116.97 121.89 1r8p h TYR 19 Ca 0.23 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1r8p h TYR 19 Cb 1.55 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 39.51 1r8p h TYR 19 CO 0.00 0.92 0.00 0.00 -1.32 0.00 0.00 178.16 177.76 1r8p h ARG 20 N 1.00 0.00 -0.05 1.82 3.08 -0.75 -3.09 114.38 116.39 1r8p h ARG 20 Ca 0.21 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1r8p h ARG 20 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1r8p h ARG 20 CO 0.00 0.00 -0.29 0.74 -1.07 0.00 0.00 179.97 179.35 1r8p h PHE 21 N 0.00 0.11 -0.32 3.04 -1.00 -1.26 -2.43 116.94 115.08 1r8p h PHE 21 Ca 0.00 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 1r8p h PHE 21 Cb 0.63 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.14 1r8p h PHE 21 CO 0.00 0.38 0.02 0.87 -1.61 0.00 0.00 178.31 177.98 1r8p h LYS 22 N 0.09 0.48 -0.01 1.51 1.79 -1.57 0.58 116.57 119.43 1r8p h LYS 22 Ca 0.01 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1r8p h LYS 22 Cb 0.56 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1r8p h LYS 22 CO 0.04 0.49 -0.10 0.87 -1.08 0.00 0.00 179.45 179.66 1r8p h LYS 23 N 0.46 0.08 -0.95 3.15 1.79 -1.62 -3.23 116.57 116.25 1r8p h LYS 23 Ca 0.10 -0.08 -0.34 0.00 -2.18 0.00 0.00 60.65 58.16 1r8p h LYS 23 Cb 0.27 0.02 -0.20 0.00 -1.58 0.00 0.00 32.23 30.74 1r8p h LYS 23 CO 0.00 0.81 0.43 0.72 -1.08 0.00 0.00 179.45 180.33 1r8p n HIS 24 N -4.64 2.24 0.29 -1.35 8.25 -1.03 -4.47 115.22 114.51 1r8p n HIS 24 Ca -0.09 -1.39 0.18 0.00 -0.26 0.00 0.00 57.72 56.17 1r8p n HIS 24 Cb 0.42 -0.73 0.96 0.00 1.12 0.00 0.00 29.99 31.75 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 -3.28 1.01 -0.05 0.00 -2.24 -1.26 -4.27 114.28 104.18 1r8p n THR 26 Ca -0.01 -0.89 -0.22 0.00 -2.27 0.00 0.00 64.05 60.66 1r8p n THR 26 Cb 0.26 0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.31 2.43 -5.01 3.22 4.32 0.16 -4.96 117.00 118.46 1r8p n LEU 27 Ca 0.22 0.23 -0.21 0.00 -0.02 0.00 0.00 56.01 56.23 1r8p n LEU 27 Cb 0.59 -1.03 0.06 0.00 -1.62 0.00 0.00 43.42 41.42 1r8p n LEU 27 CO 0.16 0.69 0.38 -0.72 -1.22 0.00 0.00 177.39 176.69 1r8p s TYR 28 N -2.50 1.89 -0.21 -1.77 -0.85 -1.24 -4.66 117.35 108.01 1r8p s TYR 28 Ca -0.27 -0.43 0.10 0.00 -0.52 0.00 0.00 57.07 55.96 1r8p s TYR 28 Cb 0.07 -2.57 -0.20 0.00 0.38 0.00 0.00 41.96 39.64 1r8p s TYR 28 CO 0.68 -1.18 -0.06 2.41 -1.52 0.00 0.00 175.55 175.88 1r8p n THR 29 N -2.39 1.34 -3.58 -3.49 -1.04 -0.75 -4.81 114.28 99.56 1r8p n THR 29 Ca 0.13 -0.68 -0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1r8p n THR 29 Cb 0.61 -0.88 -0.04 0.00 -1.82 0.00 0.00 70.33 68.20 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 -2.47 -2.12 -0.65 2.41 0.00 -1.18 -5.03 121.76 112.72 1r8p s ALA 30 Ca -0.20 2.27 -0.22 0.00 0.00 0.00 0.00 51.96 53.82 1r8p s ALA 30 Cb 0.07 -1.84 0.08 0.00 0.00 0.00 0.00 23.12 21.42 1r8p s ALA 30 CO 0.68 -0.98 0.91 0.14 0.00 0.00 0.00 175.76 176.52 1r8p s VAL 31 N 2.87 4.42 0.39 0.00 -7.23 -1.26 -2.37 120.40 117.22 1r8p s VAL 31 Ca -0.03 -0.49 -0.24 0.00 -1.81 0.00 0.00 61.98 59.42 1r8p s VAL 31 Cb -0.12 -4.65 -0.13 0.00 0.56 0.00 0.00 36.38 32.05 1r8p s VAL 31 CO -0.19 -1.40 0.68 -1.54 -0.31 0.00 0.00 175.10 172.35 1r8p n SER 32 N 7.44 -0.26 -4.59 4.85 3.41 -0.56 -4.90 113.62 119.00 1r8p n SER 32 Ca -0.05 0.98 -0.30 0.00 -0.26 0.00 0.00 58.87 59.24 1r8p n SER 32 Cb 0.45 -1.17 0.20 0.00 -0.26 0.00 0.00 64.21 63.43 1r8p n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1r8p s SER 33 N -0.87 2.06 -0.06 4.04 1.04 -1.26 -4.36 113.70 114.28 1r8p s SER 33 Ca 0.63 1.79 -0.30 0.00 0.48 0.00 0.00 55.95 58.56 1r8p s SER 33 Cb -0.63 -2.40 -0.05 0.00 0.10 0.00 0.00 66.02 63.04 1r8p s SER 33 CO 0.58 -3.58 1.59 -0.89 0.98 0.00 0.00 173.24 171.93 1r8p s THR 34 N -2.59 3.65 0.14 2.02 2.01 -1.26 -4.57 115.64 115.04 1r8p s THR 34 Ca 0.67 0.82 0.00 0.00 0.31 0.00 0.00 61.69 63.49 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 0.61 -0.07 0.18 -2.67 -0.69 0.00 0.00 174.62 171.99 1r8p n TRP 35 N 6.91 -0.73 -3.82 4.92 4.27 -0.37 -4.89 117.44 123.73 1r8p n TRP 35 Ca 0.17 -1.03 -0.06 0.00 -3.89 0.00 0.00 57.50 52.69 1r8p n TRP 35 Cb 0.43 0.20 -0.01 0.00 -1.36 0.00 0.00 31.31 30.57 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 -3.75 -0.12 -0.90 -2.67 2.46 -1.26 0.32 115.29 109.36 1r8p s HIS 36 Ca 0.13 -0.31 -0.25 0.00 0.47 0.00 0.00 55.06 55.11 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 0.09 -1.12 1.45 -1.58 -2.47 0.00 0.00 174.74 171.12 1r8p s TRP 37 N -3.42 2.35 -0.12 3.88 0.23 -1.26 -4.89 118.94 115.72 1r8p s TRP 37 Ca 0.13 -0.39 -0.33 0.00 -2.03 0.00 0.00 56.10 53.47 1r8p s TRP 37 Cb -0.04 -4.60 0.13 0.00 0.03 0.00 0.00 33.47 28.99 1r8p s TRP 37 CO 0.06 -1.99 1.23 -0.08 0.96 0.00 0.00 176.95 177.13 1r8p s THR 38 N 5.81 0.00 0.00 2.01 -1.32 -1.26 -5.14 115.64 115.74 1r8p s THR 38 Ca 0.45 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 1r8p s THR 38 Cb -0.04 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 1r8p s THR 38 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1r8p n GLY 39 N -0.25 -2.79 0.00 6.08 0.00 -1.26 -4.91 105.19 102.06 1r8p n GLY 39 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1r8p n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1r8p n HIS 40 N 0.00 0.00 -3.74 1.61 1.44 -1.26 -5.04 115.22 108.23 1r8p n HIS 40 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 1r8p n HIS 40 Cb 0.00 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 1r8p n HIS 40 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1r8p s ASN 41 N -0.70 0.28 0.15 4.39 3.04 -1.26 -5.15 114.94 115.70 1r8p s ASN 41 Ca 0.00 0.13 -0.22 0.00 0.04 0.00 0.00 52.86 52.80 1r8p s ASN 41 Cb 0.00 -0.00 0.07 0.00 -1.54 0.00 0.00 41.25 39.77 1r8p s ASN 41 CO 0.00 -0.16 0.58 0.68 -3.04 0.00 0.00 177.10 175.15 1r8p s VAL 42 N 1.39 0.01 -0.15 -5.21 -7.23 -1.26 -5.06 120.40 102.90 1r8p s VAL 42 Ca -0.06 -0.06 0.18 0.00 -1.81 0.00 0.00 61.98 60.24 1r8p s VAL 42 Cb -0.12 -1.02 -0.26 0.00 0.56 0.00 0.00 36.38 35.54 1r8p s VAL 42 CO -0.04 -0.03 0.26 0.29 -0.31 0.00 0.00 175.10 175.27 1r8p n LYS 43 N -0.35 0.67 -0.56 4.82 5.02 -1.26 -4.97 118.16 121.53 1r8p n LYS 43 Ca -0.17 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.82 1r8p n LYS 43 Cb 0.65 -1.56 0.22 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.68 -1.12 -4.20 2.13 8.25 -1.26 -5.01 115.22 111.33 1r8p n HIS 44 Ca -0.24 -0.01 -0.29 0.00 -0.26 0.00 0.00 57.72 56.92 1r8p n HIS 44 Cb 1.00 -1.70 -0.17 0.00 1.12 0.00 0.00 29.99 30.25 1r8p n HIS 44 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1r8p s LYS 45 N -4.14 2.15 -0.11 -0.41 1.02 -1.26 -4.97 119.74 112.02 1r8p s LYS 45 Ca 0.65 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 56.16 1r8p s LYS 45 Cb -0.22 -1.93 0.13 0.00 -0.52 0.00 0.00 37.83 35.30 1r8p s LYS 45 CO 0.65 -0.16 0.99 -1.13 -0.92 0.00 0.00 175.35 174.77 1r8p n SER 46 N 4.54 -0.91 -4.50 2.83 3.41 -1.26 -5.07 113.62 112.66 1r8p n SER 46 Ca -0.17 -1.68 -0.44 0.00 -0.26 0.00 0.00 58.87 56.32 1r8p n SER 46 Cb 0.51 0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.51 -1.15 -3.03 7.33 0.00 -1.26 -4.78 120.51 117.10 1r8p n ALA 47 Ca -0.18 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 1r8p n ALA 47 Cb 0.67 -1.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.24 0.10 -0.17 0.00 1.01 0.15 -4.21 121.20 116.84 1r8p s ILE 48 Ca 0.62 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1r8p s ILE 48 Cb -0.68 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1r8p s ILE 48 CO 0.58 -0.44 -0.20 -0.69 0.00 0.00 0.00 174.94 174.19 1r8p s VAL 49 N -1.38 2.04 0.16 2.92 1.01 -0.63 -1.23 120.40 123.28 1r8p s VAL 49 Ca -0.15 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 1r8p s VAL 49 Cb -0.09 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 1r8p s VAL 49 CO 0.00 0.54 0.44 -0.89 0.00 0.00 0.00 175.10 175.19 1r8p s THR 50 N 1.17 5.07 -0.07 3.92 2.01 -1.26 -2.06 115.64 124.43 1r8p s THR 50 Ca 0.02 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 1r8p s THR 50 Cb -0.14 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1r8p s THR 50 CO -0.10 0.06 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.11 1r8p s LEU 51 N -2.55 0.81 -0.01 4.42 1.02 -0.91 -1.50 118.68 119.96 1r8p s LEU 51 Ca 0.41 -0.10 -0.06 0.00 0.02 0.00 0.00 54.13 54.40 1r8p s LEU 51 Cb -0.12 -0.45 -0.05 0.00 0.02 0.00 0.00 46.19 45.59 1r8p s LEU 51 CO 0.22 -0.15 0.24 -0.89 0.02 0.00 0.00 176.35 175.79 1r8p s THR 52 N 1.68 5.34 0.21 5.49 2.01 -1.00 -2.10 115.64 127.28 1r8p s THR 52 Ca 0.01 0.13 0.11 0.00 0.31 0.00 0.00 61.69 62.25 1r8p s THR 52 Cb -0.13 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1r8p s THR 52 CO -0.04 0.39 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.75 1r8p s TYR 53 N -1.27 2.23 -1.06 4.92 1.51 -0.68 -1.81 117.35 121.19 1r8p s TYR 53 Ca 0.26 -0.37 0.26 0.00 -1.01 0.00 0.00 57.07 56.22 1r8p s TYR 53 Cb -0.13 -1.07 1.16 0.00 -0.11 0.00 0.00 41.96 41.82 1r8p s TYR 53 CO 0.15 0.53 1.86 -3.47 -1.11 0.00 0.00 175.55 173.51 1r8p n ASP 54 N 0.04 0.00 -3.62 2.29 2.03 -1.26 -4.01 116.55 112.01 1r8p n ASP 54 Ca -0.11 0.41 -0.04 0.00 0.52 0.00 0.00 54.79 55.58 1r8p n ASP 54 Cb 0.57 -0.47 -0.06 0.00 -0.72 0.00 0.00 41.12 40.44 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 -2.94 -0.83 0.32 1.67 0.01 -1.26 -5.01 113.70 105.65 1r8p s SER 55 Ca 0.15 1.28 0.09 0.00 1.31 0.00 0.00 55.95 58.78 1r8p s SER 55 Cb 0.17 1.50 0.93 0.00 0.21 0.00 0.00 66.02 68.84 1r8p s SER 55 CO 0.47 -0.20 1.66 -0.08 0.41 0.00 0.00 173.24 175.51 1r8p h GLU 56 N 6.94 0.29 -0.22 12.44 4.81 -1.95 0.20 114.58 137.09 1r8p h GLU 56 Ca -0.27 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1r8p h GLU 56 Cb 1.19 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1r8p h GLU 56 CO 0.15 0.19 -0.12 2.35 -0.73 0.00 0.00 179.01 180.86 1r8p h TRP 57 N 0.30 -0.29 -0.82 0.92 -0.00 -1.99 -1.33 115.95 112.73 1r8p h TRP 57 Ca 0.66 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 59.62 1r8p h TRP 57 Cb 1.42 0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 30.70 1r8p h TRP 57 CO -0.11 -0.18 0.54 0.37 -0.00 0.00 0.00 178.44 179.06 1r8p h GLN 58 N -0.10 0.95 -0.59 2.65 5.75 -1.01 -2.25 115.11 120.51 1r8p h GLN 58 Ca 0.12 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1r8p h GLN 58 Cb 0.28 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 1r8p h GLN 58 CO -0.29 0.63 0.37 -0.09 -2.65 0.00 0.00 178.83 176.80 1r8p h ARG 59 N 0.98 0.72 -0.64 1.69 2.43 -0.75 -2.02 114.38 116.79 1r8p h ARG 59 Ca 0.34 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1r8p h ARG 59 Cb 0.10 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1r8p h ARG 59 CO -0.11 0.48 0.36 -0.44 -1.51 0.00 0.00 179.97 178.75 1r8p h ASP 60 N 0.75 0.78 -0.57 -3.80 5.19 -0.96 -2.46 116.42 115.34 1r8p h ASP 60 Ca 0.23 -0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.51 1r8p h ASP 60 Cb -0.02 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 1r8p h ASP 60 CO -0.08 0.63 0.05 1.56 -3.12 0.00 0.00 179.24 178.28 1r8p h GLN 61 N 0.89 0.98 -0.35 3.56 4.20 -1.19 -3.04 115.11 120.16 1r8p h GLN 61 Ca 0.23 -0.29 0.05 0.00 0.06 0.00 0.00 58.65 58.70 1r8p h GLN 61 Cb 0.01 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 1r8p h GLN 61 CO -0.04 0.95 0.08 0.35 -0.67 0.00 0.00 178.83 179.50 1r8p h PHE 62 N 0.87 0.13 0.00 2.96 3.04 -0.94 0.13 116.94 123.13 1r8p h PHE 62 Ca 0.17 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1r8p h PHE 62 Cb 0.48 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1r8p h PHE 62 CO 0.04 0.03 0.03 1.28 -2.02 0.00 0.00 178.31 177.67 1r8p n LEU 63 N -5.08 0.54 -0.02 0.59 4.77 -1.13 -1.19 117.00 115.49 1r8p n LEU 63 Ca 0.01 0.74 0.08 0.00 -0.03 0.00 0.00 56.01 56.82 1r8p n LEU 63 Cb 0.15 -0.80 -0.17 0.00 -2.33 0.00 0.00 43.42 40.27 1r8p n LEU 63 CO 0.25 -0.93 -0.82 -1.54 -1.33 0.00 0.00 177.39 173.02 1r8p n SER 64 N -2.25 0.00 -0.04 -1.43 3.41 0.34 -4.44 113.62 109.21 1r8p n SER 64 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.53 1r8p n SER 64 Cb 0.07 1.85 -0.14 0.00 -0.26 0.00 0.00 64.21 65.73 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 -2.33 0.65 -2.45 4.33 6.02 -0.33 -4.94 117.38 118.32 1r8p n GLN 65 Ca -0.08 0.16 -0.24 0.00 -0.01 0.00 0.00 57.00 56.83 1r8p n GLN 65 Cb 0.66 -1.69 0.08 0.00 1.02 0.00 0.00 30.24 30.31 1r8p n GLN 65 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1r8p s VAL 66 N -2.64 2.35 -0.55 5.09 -7.23 -0.34 -5.05 120.40 112.02 1r8p s VAL 66 Ca -0.06 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1r8p s VAL 66 Cb 0.08 -2.86 0.14 0.00 0.56 0.00 0.00 36.38 34.30 1r8p s VAL 66 CO 0.83 0.00 0.33 -0.54 -0.31 0.00 0.00 175.10 175.41 1r8p s LYS 67 N -5.09 2.24 -0.50 4.82 1.02 -1.26 -4.92 119.74 116.05 1r8p s LYS 67 Ca 0.62 -2.47 -0.23 0.00 0.02 0.00 0.00 55.97 53.92 1r8p s LYS 67 Cb -0.08 -3.54 0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1r8p s LYS 67 CO 0.43 -1.13 0.82 0.42 -0.92 0.00 0.00 175.35 174.97 1r8p s ILE 68 N 0.01 4.58 0.00 2.17 -1.09 -1.26 -5.03 121.20 120.58 1r8p s ILE 68 Ca 0.16 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1r8p s ILE 68 Cb -0.22 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1r8p s ILE 68 CO -0.03 -0.89 0.00 -0.81 -1.23 0.00 0.00 174.94 171.98 1r8p n PRO 69 N 6.92 -0.70 0.00 2.79 -0.04 -1.26 -4.91 135.00 137.80 1r8p n PRO 69 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1r8p n PRO 69 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.33 0.87 0.11 0.54 4.81 -1.26 -4.24 118.16 117.67 1r8p n LYS 70 Ca 0.00 -0.61 0.04 0.00 -0.87 0.00 0.00 58.31 56.87 1r8p n LYS 70 Cb 0.00 -1.46 0.01 0.00 0.02 0.00 0.00 35.03 33.60 1r8p n LYS 70 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1r8p h THR 71 N 1.47 0.50 -3.12 3.15 1.35 -1.94 -3.45 112.91 110.88 1r8p h THR 71 Ca 0.00 -1.80 -0.60 0.00 -0.55 0.00 0.00 66.41 63.46 1r8p h THR 71 Cb 0.64 2.10 -0.07 0.00 -1.73 0.00 0.00 68.15 69.09 1r8p h THR 71 CO 0.00 0.29 -0.24 -0.63 -0.25 0.00 0.00 175.52 174.69 1r8p s ILE 72 N -3.05 5.17 -0.27 6.82 1.01 -1.25 -4.60 121.20 125.03 1r8p s ILE 72 Ca 0.02 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.26 1r8p s ILE 72 Cb 0.08 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1r8p s ILE 72 CO 0.76 0.48 0.40 -0.89 0.00 0.00 0.00 174.94 175.69 1r8p s THR 73 N -0.33 5.15 -0.58 2.92 2.01 -1.24 -4.86 115.64 118.71 1r8p s THR 73 Ca 0.22 0.61 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 1r8p s THR 73 Cb -0.15 -3.73 0.15 0.00 0.01 0.00 0.00 72.50 68.78 1r8p s THR 73 CO 0.10 0.14 0.51 -0.69 -0.69 0.00 0.00 174.62 173.98 1r8p s VAL 74 N 2.11 4.99 0.46 3.82 1.01 -1.25 -3.83 120.40 127.70 1r8p s VAL 74 Ca 0.16 -1.82 0.08 0.00 0.00 0.00 0.00 61.98 60.41 1r8p s VAL 74 Cb -0.16 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1r8p s VAL 74 CO 0.10 -0.88 0.55 -0.44 0.00 0.00 0.00 175.10 174.43 1r8p s SER 75 N 2.98 5.32 0.52 3.32 0.01 -1.14 -4.90 113.70 119.82 1r8p s SER 75 Ca 0.07 -0.64 0.05 0.00 1.31 0.00 0.00 55.95 56.74 1r8p s SER 75 Cb -0.25 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.61 1r8p s SER 75 CO -0.00 -0.86 0.31 0.42 0.41 0.00 0.00 173.24 173.51 1r8p s THR 76 N -2.47 1.67 -0.08 1.44 -4.23 -1.26 -2.72 115.64 107.99 1r8p s THR 76 Ca 0.53 -1.60 -0.31 0.00 -1.18 0.00 0.00 61.69 59.14 1r8p s THR 76 Cb -0.07 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.60 1r8p s THR 76 CO 0.32 0.00 1.36 -0.83 -0.54 0.00 0.00 174.62 174.93 1r8p s GLY 77 N -4.16 -0.22 -0.11 3.99 0.00 -1.01 -4.83 107.32 100.97 1r8p s GLY 77 Ca 0.30 0.20 -0.09 0.00 0.00 0.00 0.00 44.72 45.14 1r8p s GLY 77 CO 0.18 6.25 0.28 -1.36 0.00 0.00 0.00 173.10 178.45 1r8p s PHE 78 N -2.01 -0.33 0.44 1.90 0.08 -1.26 -3.46 117.98 113.33 1r8p s PHE 78 Ca 0.31 0.80 0.05 0.00 0.12 0.00 0.00 56.93 58.21 1r8p s PHE 78 Cb 0.01 0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.50 1r8p s PHE 78 CO -0.03 -0.18 0.01 -1.64 -0.10 0.00 0.00 175.22 173.28 1r8p s MET 79 N 0.51 2.04 -0.33 0.44 -1.94 -1.19 -5.02 119.30 113.80 1r8p s MET 79 Ca -0.03 -2.20 0.04 0.00 -1.71 0.00 0.00 55.69 51.79 1r8p s MET 79 Cb -0.04 -1.61 0.10 0.00 2.01 0.00 0.00 34.83 35.28 1r8p s MET 79 CO -0.03 -0.15 0.04 0.45 -0.01 0.00 0.00 175.02 175.32 1r8p s SER 80 N -3.76 4.73 0.00 3.03 0.15 -1.26 -3.87 113.70 112.71 1r8p s SER 80 Ca 0.26 -2.08 0.00 0.00 0.70 0.00 0.00 55.95 54.83 1r8p s SER 80 Cb 0.07 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1r8p s SER 80 CO 0.13 -0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.21