#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 1.59 0.57 2.03 -4.23 -0.88 -4.91 115.64 109.81 1r8p s THR 2 Ca 0.00 -1.27 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1r8p s THR 2 Cb 0.00 -1.85 -0.08 0.00 1.34 0.00 0.00 72.50 71.91 1r8p s THR 2 CO 0.00 -0.10 0.66 -0.81 -0.54 0.00 0.00 174.62 173.83 1r8p n PRO 3 N 4.65 0.65 -4.18 3.99 -0.04 -1.19 -2.90 135.00 135.98 1r8p n PRO 3 Ca -0.12 0.25 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1r8p n PRO 3 Cb 0.44 -1.83 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.64 0.00 -0.11 0.52 -4.36 -0.85 -1.59 121.20 113.17 1r8p s ILE 4 Ca 0.70 -1.83 -0.04 0.00 -0.26 0.00 0.00 60.65 59.22 1r8p s ILE 4 Cb -0.45 -2.51 0.06 0.00 1.25 0.00 0.00 42.46 40.80 1r8p s ILE 4 CO 0.52 0.00 0.23 -0.69 0.24 0.00 0.00 174.94 175.24 1r8p s VAL 5 N -3.56 -0.33 -0.21 8.37 1.01 -0.97 -3.93 120.40 120.79 1r8p s VAL 5 Ca 0.36 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 1r8p s VAL 5 Cb 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1r8p s VAL 5 CO 0.20 0.12 0.05 -1.00 0.00 0.00 0.00 175.10 174.47 1r8p s HIS 6 N 2.25 3.15 -0.01 5.22 3.76 -1.23 -2.43 115.29 126.00 1r8p s HIS 6 Ca 0.01 -0.18 0.07 0.00 -0.15 0.00 0.00 55.06 54.81 1r8p s HIS 6 Cb -0.12 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 1r8p s HIS 6 CO -0.08 -0.09 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.00 1r8p s LEU 7 N 0.90 2.36 0.07 0.89 1.02 -1.06 -3.03 118.68 119.82 1r8p s LEU 7 Ca 0.03 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 53.78 1r8p s LEU 7 Cb -0.14 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.61 1r8p s LEU 7 CO 0.02 0.31 -0.03 -0.75 0.02 0.00 0.00 176.35 175.92 1r8p s LYS 8 N -0.86 0.68 0.00 1.70 2.47 -1.19 -3.50 119.74 119.04 1r8p s LYS 8 Ca 0.11 -1.26 0.00 0.00 -1.56 0.00 0.00 55.97 53.26 1r8p s LYS 8 Cb -0.10 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 1r8p s LYS 8 CO 0.01 -0.10 0.00 0.41 0.16 0.00 0.00 175.35 175.83 1r8p n GLY 9 N 0.06 -0.26 3.69 5.54 0.00 -1.26 -3.64 105.19 109.32 1r8p n GLY 9 Ca -0.13 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 6.62 0.40 1.61 -1.08 -1.26 -4.78 116.67 114.17 1r8p s ASP 10 Ca 0.00 2.46 0.17 0.00 -0.52 0.00 0.00 52.55 54.66 1r8p s ASP 10 Cb 0.00 -2.56 1.07 0.00 -1.46 0.00 0.00 42.92 39.97 1r8p s ASP 10 CO 0.00 -0.88 1.80 0.00 0.52 0.00 0.00 175.17 176.61 1r8p h ALA 11 N 8.33 2.19 -0.13 3.66 0.00 -1.85 -0.86 119.26 130.60 1r8p h ALA 11 Ca -0.42 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1r8p h ALA 11 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1r8p h ALA 11 CO 0.93 -0.56 -0.10 -0.91 0.00 0.00 0.00 179.25 178.61 1r8p h ASN 12 N 0.42 0.32 -0.09 0.00 2.35 -1.96 -2.89 115.58 113.74 1r8p h ASN 12 Ca 0.55 -0.45 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1r8p h ASN 12 Cb 1.36 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 1r8p h ASN 12 CO -0.26 0.71 0.14 0.74 -1.65 0.00 0.00 177.43 177.11 1r8p h THR 13 N -0.06 0.36 -0.10 2.81 2.02 -1.55 -0.48 112.91 115.91 1r8p h THR 13 Ca 0.03 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 1r8p h THR 13 Cb 0.60 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1r8p h THR 13 CO 0.03 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 175.43 1r8p h LEU 14 N 0.00 0.24 -1.18 2.58 3.38 -1.22 -2.97 115.31 116.14 1r8p h LEU 14 Ca 0.04 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1r8p h LEU 14 Cb 0.32 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1r8p h LEU 14 CO -0.00 0.64 0.55 0.50 0.09 0.00 0.00 178.44 180.22 1r8p h LYS 15 N 0.19 1.07 -0.25 1.13 3.64 -1.13 -2.20 116.57 119.03 1r8p h LYS 15 Ca 0.02 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1r8p h LYS 15 Cb 0.83 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1r8p h LYS 15 CO 0.06 0.71 -0.45 0.00 -2.27 0.00 0.00 179.45 177.51 1r8p h LEU 17 N 0.50 -0.17 -1.71 0.00 3.38 -1.35 -1.46 115.31 114.50 1r8p h LEU 17 Ca 0.03 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.31 1r8p h LEU 17 Cb 0.98 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1r8p h LEU 17 CO 0.09 -0.09 0.90 -0.09 0.09 0.00 0.00 178.44 179.33 1r8p h ARG 18 N -0.11 0.00 -0.55 1.13 2.43 -1.51 0.26 114.38 116.02 1r8p h ARG 18 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1r8p h ARG 18 Cb 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1r8p h ARG 18 CO -0.05 0.00 0.11 -0.92 -1.51 0.00 0.00 179.97 177.60 1r8p h TYR 19 N 0.00 0.95 0.00 2.20 5.03 -1.36 -2.59 116.97 121.20 1r8p h TYR 19 Ca 0.47 -0.12 -0.03 0.00 2.58 0.00 0.00 58.73 61.62 1r8p h TYR 19 Cb 2.25 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 40.26 1r8p h TYR 19 CO 0.00 0.84 -0.15 0.00 -1.32 0.00 0.00 178.16 177.53 1r8p h ARG 20 N 0.80 0.00 0.00 1.82 3.08 -0.56 -2.76 114.38 116.76 1r8p h ARG 20 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1r8p h ARG 20 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1r8p h ARG 20 CO 0.01 0.15 0.00 1.19 -1.07 0.00 0.00 179.97 180.24 1r8p n PHE 21 N -3.27 0.00 0.06 3.04 3.72 -0.98 -2.99 117.46 117.05 1r8p n PHE 21 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1r8p n PHE 21 Cb 0.41 -0.49 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 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 -0.10 0.00 -1.08 1.79 -1.56 -2.64 116.57 112.98 1r8p h LYS 22 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1r8p h LYS 22 Cb 0.16 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1r8p h LYS 22 CO 0.00 0.10 0.00 1.63 -1.08 0.00 0.00 179.45 180.10 1r8p n LYS 23 N -5.05 0.23 -0.67 3.15 4.76 -1.16 -2.77 118.16 116.65 1r8p n LYS 23 Ca -0.08 0.32 0.05 0.00 -2.87 0.00 0.00 58.31 55.73 1r8p n LYS 23 Cb 0.14 -1.84 0.31 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.26 1.56 0.23 2.13 8.25 -1.01 -4.38 115.22 119.74 1r8p n HIS 24 Ca 0.04 -0.54 0.17 0.00 -0.26 0.00 0.00 57.72 57.13 1r8p n HIS 24 Cb 0.33 -0.41 0.86 0.00 1.12 0.00 0.00 29.99 31.90 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 -3.68 0.30 -0.03 0.00 5.66 -1.26 -4.20 114.28 111.07 1r8p n THR 26 Ca 0.01 -0.58 -0.12 0.00 -3.05 0.00 0.00 64.05 60.32 1r8p n THR 26 Cb 0.30 0.94 -0.14 0.00 -1.55 0.00 0.00 70.33 69.88 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 1.13 1.20 -4.63 1.09 4.77 0.12 -4.96 117.00 115.73 1r8p n LEU 27 Ca 0.18 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 1r8p n LEU 27 Cb 0.53 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1r8p n LEU 27 CO 0.15 0.52 -0.28 -0.72 -1.33 0.00 0.00 177.39 175.73 1r8p s TYR 28 N -2.57 2.52 -0.20 -1.77 -0.85 -1.19 -4.85 117.35 108.44 1r8p s TYR 28 Ca -0.10 -0.55 0.16 0.00 -0.52 0.00 0.00 57.07 56.05 1r8p s TYR 28 Cb 0.07 -1.66 -0.24 0.00 0.38 0.00 0.00 41.96 40.52 1r8p s TYR 28 CO 0.80 0.43 0.04 2.41 -1.52 0.00 0.00 175.55 177.71 1r8p n THR 29 N -0.99 1.38 -3.50 -3.49 -1.04 -1.14 -4.94 114.28 100.57 1r8p n THR 29 Ca -0.04 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 1r8p n THR 29 Cb 0.64 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.55 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 -2.49 -2.10 -0.36 2.41 0.00 -1.26 -5.05 121.76 112.91 1r8p s ALA 30 Ca -0.13 2.19 -0.22 0.00 0.00 0.00 0.00 51.96 53.81 1r8p s ALA 30 Cb 0.06 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.30 1r8p s ALA 30 CO 0.79 -1.05 0.71 0.54 0.00 0.00 0.00 175.76 176.76 1r8p s VAL 31 N 2.89 4.81 0.40 0.00 0.11 -1.26 -3.04 120.40 124.31 1r8p s VAL 31 Ca 0.02 0.76 -0.26 0.00 -2.93 0.00 0.00 61.98 59.57 1r8p s VAL 31 Cb -0.13 -4.14 -0.08 0.00 -1.53 0.00 0.00 36.38 30.50 1r8p s VAL 31 CO -0.20 -0.36 1.23 -0.94 -3.33 0.00 0.00 175.10 171.50 1r8p s SER 32 N 1.80 6.42 0.96 3.54 1.04 -1.01 -4.98 113.70 121.46 1r8p s SER 32 Ca 0.28 2.50 -0.11 0.00 0.48 0.00 0.00 55.95 59.10 1r8p s SER 32 Cb -0.14 -2.63 0.17 0.00 0.10 0.00 0.00 66.02 63.52 1r8p s SER 32 CO 0.16 -0.76 1.12 -0.94 0.98 0.00 0.00 173.24 173.79 1r8p s SER 33 N -0.94 2.62 0.22 7.02 1.04 -1.26 -4.17 113.70 118.22 1r8p s SER 33 Ca 0.57 2.01 -0.30 0.00 0.48 0.00 0.00 55.95 58.71 1r8p s SER 33 Cb -0.34 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.18 1r8p s SER 33 CO 0.44 -3.26 1.36 -0.89 0.98 0.00 0.00 173.24 171.86 1r8p s THR 34 N -2.63 3.00 0.33 2.02 2.01 -1.26 -4.65 115.64 114.45 1r8p s THR 34 Ca 0.67 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.50 1r8p s THR 34 Cb -0.23 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1r8p s THR 34 CO 0.59 0.13 0.42 -2.67 -0.69 0.00 0.00 174.62 172.40 1r8p n TRP 35 N 2.54 -1.25 -3.83 4.92 4.27 0.81 -4.77 117.44 120.12 1r8p n TRP 35 Ca 0.06 -2.35 -0.06 0.00 -3.89 0.00 0.00 57.50 51.26 1r8p n TRP 35 Cb 0.42 0.47 0.00 0.00 -1.36 0.00 0.00 31.31 30.84 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 -3.07 -0.03 -0.58 -2.67 2.46 -1.26 0.27 115.29 110.41 1r8p s HIS 36 Ca 0.30 -0.46 -0.28 0.00 0.47 0.00 0.00 55.06 55.09 1r8p s HIS 36 Cb -0.00 0.74 0.02 0.00 -0.13 0.00 0.00 32.58 33.21 1r8p s HIS 36 CO 0.22 -1.23 1.29 -1.58 -2.47 0.00 0.00 174.74 170.97 1r8p s TRP 37 N -2.99 2.45 0.03 3.88 0.52 -1.26 -4.98 118.94 116.59 1r8p s TRP 37 Ca 0.14 0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.68 1r8p s TRP 37 Cb -0.04 -4.47 -0.02 0.00 -1.15 0.00 0.00 33.47 27.78 1r8p s TRP 37 CO 0.07 -1.78 -0.05 0.99 0.02 0.00 0.00 176.95 176.20 1r8p s THR 38 N 5.46 0.28 0.12 2.01 2.01 -1.26 -4.95 115.64 119.30 1r8p s THR 38 Ca 0.47 -1.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 1r8p s THR 38 Cb -0.09 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 72.00 1r8p s THR 38 CO 0.25 -0.50 0.79 -0.83 -0.69 0.00 0.00 174.62 173.64 1r8p s GLY 39 N -1.63 -0.41 0.00 4.40 0.00 -1.26 -5.12 107.32 103.30 1r8p s GLY 39 Ca -0.12 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1r8p s GLY 39 CO -0.01 0.15 0.00 1.42 0.00 0.00 0.00 173.10 174.66 1r8p n HIS 40 N -0.36 -0.26 -2.63 1.90 8.25 -1.26 -4.21 115.22 116.65 1r8p n HIS 40 Ca -0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.93 1r8p n HIS 40 Cb 0.62 0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.81 1r8p n HIS 40 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1r8p s ASN 41 N -4.00 6.55 -0.25 0.41 3.84 -1.26 -4.94 114.94 115.28 1r8p s ASN 41 Ca 0.00 0.28 -0.32 0.00 0.21 0.00 0.00 52.86 53.03 1r8p s ASN 41 Cb 0.00 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.33 1r8p s ASN 41 CO 0.00 -1.31 1.29 0.54 -2.79 0.00 0.00 177.10 174.83 1r8p s VAL 42 N 4.52 0.00 0.24 -5.21 0.11 -1.26 -5.17 120.40 113.63 1r8p s VAL 42 Ca 0.44 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.56 1r8p s VAL 42 Cb -0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1r8p s VAL 42 CO 0.29 0.00 0.25 -0.54 -3.33 0.00 0.00 175.10 171.76 1r8p s LYS 43 N -1.48 3.09 1.03 1.54 1.02 -1.26 -4.86 119.74 118.82 1r8p s LYS 43 Ca 0.08 -0.94 -0.17 0.00 0.02 0.00 0.00 55.97 54.96 1r8p s LYS 43 Cb -0.01 -2.68 0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1r8p s LYS 43 CO -0.05 0.42 -0.01 1.58 -0.92 0.00 0.00 175.35 176.36 1r8p n HIS 44 N -1.19 -1.77 0.00 3.18 -0.00 -1.26 -4.95 115.22 109.22 1r8p n HIS 44 Ca -0.08 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1r8p n HIS 44 Cb 0.57 -1.63 0.00 0.00 -0.00 0.00 0.00 29.99 28.93 1r8p n HIS 44 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1r8p n LYS 45 N -1.17 0.00 -1.98 1.57 5.02 -1.26 -4.99 118.16 115.35 1r8p n LYS 45 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 1r8p n LYS 45 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1r8p n LYS 45 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1r8p n SER 46 N -1.12 4.36 -4.48 4.39 7.64 -1.26 -4.75 113.62 118.40 1r8p n SER 46 Ca 0.00 -2.95 -0.44 0.00 1.01 0.00 0.00 58.87 56.49 1r8p n SER 46 Cb 0.00 -1.59 -0.01 0.00 -1.01 0.00 0.00 64.21 61.61 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 5.21 -1.38 -3.42 -0.43 0.00 -1.26 -4.55 120.51 114.68 1r8p n ALA 47 Ca 0.47 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 54.06 1r8p n ALA 47 Cb 0.38 -1.81 -0.14 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.27 -0.03 0.27 0.00 1.01 0.77 -4.59 121.20 117.36 1r8p s ILE 48 Ca 0.62 0.11 0.07 0.00 0.00 0.00 0.00 60.65 61.45 1r8p s ILE 48 Cb -0.69 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1r8p s ILE 48 CO 0.58 0.04 0.19 -0.69 0.00 0.00 0.00 174.94 175.07 1r8p s VAL 49 N 0.69 4.10 0.08 2.92 1.01 -1.23 -0.14 120.40 127.83 1r8p s VAL 49 Ca -0.05 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.39 1r8p s VAL 49 Cb -0.07 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1r8p s VAL 49 CO -0.03 -0.31 0.16 -0.89 0.00 0.00 0.00 175.10 174.02 1r8p s THR 50 N -2.20 0.15 -0.02 3.92 2.01 -1.26 -2.58 115.64 115.67 1r8p s THR 50 Ca 0.34 -1.29 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1r8p s THR 50 Cb -0.07 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1r8p s THR 50 CO 0.25 -0.70 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.68 1r8p s LEU 51 N -2.87 1.63 -0.18 4.42 1.02 -1.02 -2.42 118.68 119.26 1r8p s LEU 51 Ca 0.06 -0.08 -0.14 0.00 0.02 0.00 0.00 54.13 53.99 1r8p s LEU 51 Cb 0.05 -0.29 -0.05 0.00 0.02 0.00 0.00 46.19 45.93 1r8p s LEU 51 CO -0.11 -0.01 0.30 0.42 0.02 0.00 0.00 176.35 176.97 1r8p s THR 52 N 0.43 5.29 0.14 5.49 -4.23 -1.17 -2.28 115.64 119.30 1r8p s THR 52 Ca -0.05 0.54 0.10 0.00 -1.18 0.00 0.00 61.69 61.10 1r8p s THR 52 Cb -0.08 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1r8p s THR 52 CO -0.00 0.35 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.89 1r8p s TYR 53 N 0.74 2.40 -0.29 3.99 2.02 -0.62 -2.88 117.35 122.71 1r8p s TYR 53 Ca 0.16 -0.33 0.18 0.00 -0.37 0.00 0.00 57.07 56.71 1r8p s TYR 53 Cb -0.13 -1.26 -0.25 0.00 -0.40 0.00 0.00 41.96 39.91 1r8p s TYR 53 CO 0.05 0.39 0.50 -3.47 -1.57 0.00 0.00 175.55 171.46 1r8p n ASP 54 N 0.70 0.89 -4.04 2.29 -0.08 -1.26 -3.16 116.55 111.89 1r8p n ASP 54 Ca -0.16 -0.30 -0.24 0.00 -1.51 0.00 0.00 54.79 52.58 1r8p n ASP 54 Cb 0.54 1.54 -0.16 0.00 2.34 0.00 0.00 41.12 45.37 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1r8p s SER 55 N -3.58 1.78 0.11 1.67 0.01 -1.26 -4.82 113.70 107.62 1r8p s SER 55 Ca -0.02 -0.30 -0.21 0.00 1.31 0.00 0.00 55.95 56.73 1r8p s SER 55 Cb 0.12 -0.74 -0.07 0.00 0.21 0.00 0.00 66.02 65.54 1r8p s SER 55 CO 0.73 0.06 1.72 -0.33 0.41 0.00 0.00 173.24 175.82 1r8p h GLU 56 N 6.78 -0.00 -0.75 12.44 5.08 -1.98 -2.32 114.58 133.83 1r8p h GLU 56 Ca -0.31 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1r8p h GLU 56 Cb 1.18 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 1r8p h GLU 56 CO 0.48 -0.00 0.37 2.35 -1.00 0.00 0.00 179.01 181.20 1r8p h TRP 57 N -0.00 0.65 -0.57 4.33 2.91 -2.00 -1.70 115.95 119.56 1r8p h TRP 57 Ca 0.06 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.15 1r8p h TRP 57 Cb 0.10 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.53 1r8p h TRP 57 CO -0.17 0.20 0.32 0.37 -1.03 0.00 0.00 178.44 178.13 1r8p h GLN 58 N 0.59 0.60 -0.97 2.65 4.15 -1.83 -1.91 115.11 118.40 1r8p h GLN 58 Ca 0.39 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.80 1r8p h GLN 58 Cb 0.47 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.96 1r8p h GLN 58 CO -0.31 0.40 0.63 -0.09 -1.93 0.00 0.00 178.83 177.53 1r8p h ARG 59 N 0.62 1.19 -0.57 1.69 2.43 -0.99 -1.60 114.38 117.16 1r8p h ARG 59 Ca 0.24 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1r8p h ARG 59 Cb 0.09 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1r8p h ARG 59 CO -0.14 0.79 0.29 -0.44 -1.51 0.00 0.00 179.97 178.97 1r8p h ASP 60 N 1.23 0.70 -0.34 -3.80 3.32 -0.99 -2.67 116.42 113.87 1r8p h ASP 60 Ca 0.38 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 1r8p h ASP 60 Cb -0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1r8p h ASP 60 CO -0.12 0.58 0.03 1.56 -1.72 0.00 0.00 179.24 179.58 1r8p h GLN 61 N 0.79 0.57 -0.52 3.56 4.20 -0.83 -3.05 115.11 119.83 1r8p h GLN 61 Ca 0.20 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1r8p h GLN 61 Cb 0.05 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1r8p h GLN 61 CO -0.03 0.67 0.21 0.35 -0.67 0.00 0.00 178.83 179.37 1r8p h PHE 62 N 0.39 0.38 -0.02 2.96 3.04 -1.14 0.06 116.94 122.62 1r8p h PHE 62 Ca 0.10 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1r8p h PHE 62 Cb 0.39 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 1r8p h PHE 62 CO 0.03 0.15 0.03 -0.07 -2.02 0.00 0.00 178.31 176.43 1r8p h LEU 63 N 0.41 0.00 0.00 0.59 3.38 -1.41 -0.65 115.31 117.63 1r8p h LEU 63 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1r8p h LEU 63 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1r8p h LEU 63 CO -0.22 0.00 -1.29 -1.54 0.09 0.00 0.00 178.44 175.48 1r8p n SER 64 N -3.50 0.60 -0.11 -0.43 3.41 -0.11 -4.02 113.62 109.47 1r8p n SER 64 Ca -0.03 0.22 0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1r8p n SER 64 Cb 0.11 0.90 0.07 0.00 -0.26 0.00 0.00 64.21 65.03 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 -2.54 0.29 -3.81 4.33 6.02 -0.44 -4.78 117.38 116.46 1r8p n GLN 65 Ca -0.01 -0.21 -0.37 0.00 -0.01 0.00 0.00 57.00 56.40 1r8p n GLN 65 Cb 0.55 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.86 3.44 -0.35 5.09 -7.23 -0.38 -5.05 120.40 113.06 1r8p s VAL 66 Ca 0.12 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 58.67 1r8p s VAL 66 Cb 0.17 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1r8p s VAL 66 CO 0.73 -0.23 1.96 -0.75 -0.31 0.00 0.00 175.10 176.51 1r8p s LYS 67 N 1.32 3.08 -0.12 4.82 2.47 -1.26 -4.88 119.74 125.17 1r8p s LYS 67 Ca -0.02 1.47 -0.21 0.00 -1.56 0.00 0.00 55.97 55.65 1r8p s LYS 67 Cb -0.20 -4.30 -0.04 0.00 -1.46 0.00 0.00 37.83 31.83 1r8p s LYS 67 CO 0.00 -2.16 0.61 0.42 0.16 0.00 0.00 175.35 174.39 1r8p s ILE 68 N 7.99 5.09 0.00 5.43 -1.09 -1.26 -5.06 121.20 132.30 1r8p s ILE 68 Ca 0.85 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 1r8p s ILE 68 Cb -0.23 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1r8p s ILE 68 CO 0.32 0.24 0.00 -0.81 -1.23 0.00 0.00 174.94 173.46 1r8p n PRO 69 N 4.06 1.53 -1.75 2.79 -0.04 -1.26 -4.88 135.00 135.45 1r8p n PRO 69 Ca -0.03 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 1r8p n PRO 69 Cb 0.51 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.00 3.20 0.00 0.54 -0.00 -1.26 -4.52 118.16 116.11 1r8p n LYS 70 Ca 0.00 -3.80 0.00 0.00 -0.00 0.00 0.00 58.31 54.51 1r8p n LYS 70 Cb 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 35.03 32.75 1r8p n LYS 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1r8p n THR 71 N -0.78 0.00 -3.16 0.58 -2.24 -1.26 -5.05 114.28 102.36 1r8p n THR 71 Ca 0.52 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.86 1r8p n THR 71 Cb 0.80 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.09 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 4.89 0.39 2.28 1.01 -1.26 -4.64 121.20 123.87 1r8p s ILE 72 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1r8p s ILE 72 Cb 0.00 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 1r8p s ILE 72 CO 0.00 -0.90 0.58 -0.89 0.00 0.00 0.00 174.94 173.72 1r8p s THR 73 N 2.56 4.23 -0.06 2.92 2.01 -1.24 -4.85 115.64 121.21 1r8p s THR 73 Ca 0.13 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1r8p s THR 73 Cb -0.22 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.81 1r8p s THR 73 CO 0.09 -0.31 0.13 -0.69 -0.69 0.00 0.00 174.62 173.16 1r8p s VAL 74 N -2.38 -0.05 0.55 3.82 1.01 -1.26 -3.19 120.40 118.91 1r8p s VAL 74 Ca 0.45 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.71 1r8p s VAL 74 Cb -0.10 -0.22 0.07 0.00 0.00 0.00 0.00 36.38 36.13 1r8p s VAL 74 CO 0.35 0.08 0.69 -0.55 0.00 0.00 0.00 175.10 175.67 1r8p s SER 75 N 1.16 5.08 0.15 3.32 0.15 -1.17 -4.93 113.70 117.46 1r8p s SER 75 Ca -0.09 -0.87 0.07 0.00 0.70 0.00 0.00 55.95 55.76 1r8p s SER 75 Cb -0.12 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1r8p s SER 75 CO -0.06 -1.22 -0.04 0.42 1.20 0.00 0.00 173.24 173.54 1r8p s THR 76 N -2.65 3.56 0.26 6.45 -4.23 -1.26 -3.55 115.64 114.22 1r8p s THR 76 Ca 0.56 -1.39 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 1r8p s THR 76 Cb -0.05 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.06 1r8p s THR 76 CO 0.35 -0.03 0.67 -0.83 -0.54 0.00 0.00 174.62 174.24 1r8p s GLY 77 N -2.68 -0.08 -0.13 3.99 0.00 -1.25 -5.00 107.32 102.17 1r8p s GLY 77 Ca 0.25 -0.29 -0.06 0.00 0.00 0.00 0.00 44.72 44.63 1r8p s GLY 77 CO 0.17 -0.13 0.29 -1.36 0.00 0.00 0.00 173.10 172.06 1r8p s PHE 78 N -3.91 -0.44 0.53 1.90 0.08 -1.26 -2.01 117.98 112.87 1r8p s PHE 78 Ca 0.11 0.99 0.07 0.00 0.12 0.00 0.00 56.93 58.22 1r8p s PHE 78 Cb -0.05 0.06 0.06 0.00 -0.57 0.00 0.00 43.02 42.52 1r8p s PHE 78 CO 0.05 -0.32 0.73 1.41 -0.10 0.00 0.00 175.22 176.99 1r8p s MET 79 N 1.89 2.46 -0.23 0.44 1.75 -1.14 -4.80 119.30 119.67 1r8p s MET 79 Ca -0.04 -1.33 -0.03 0.00 -1.25 0.00 0.00 55.69 53.03 1r8p s MET 79 Cb -0.11 -2.64 0.10 0.00 2.84 0.00 0.00 34.83 35.02 1r8p s MET 79 CO -0.09 -0.69 0.21 -1.12 -0.65 0.00 0.00 175.02 172.68 1r8p s SER 80 N -4.53 1.88 0.00 1.11 0.01 -1.26 -2.07 113.70 108.84 1r8p s SER 80 Ca 0.59 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1r8p s SER 80 Cb -0.08 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1r8p s SER 80 CO 0.37 -0.36 0.00 2.30 0.41 0.00 0.00 173.24 175.96