#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 5.09 0.88 2.03 -1.32 -1.21 -4.87 115.64 116.24 1r8p s THR 2 Ca 0.00 -1.22 -0.15 0.00 -1.21 0.00 0.00 61.69 59.11 1r8p s THR 2 Cb 0.00 -4.10 -0.03 0.00 -1.51 0.00 0.00 72.50 66.86 1r8p s THR 2 CO 0.00 -0.64 0.19 -0.81 -2.21 0.00 0.00 174.62 171.15 1r8p n PRO 3 N 5.17 -0.07 -3.65 7.08 -0.04 -1.25 -3.11 135.00 139.13 1r8p n PRO 3 Ca -0.12 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.19 1r8p n PRO 3 Cb 0.43 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.18 -0.28 -0.06 0.52 -5.25 -1.10 -2.88 121.20 109.97 1r8p s ILE 4 Ca 0.56 0.30 -0.15 0.00 -0.99 0.00 0.00 60.65 60.37 1r8p s ILE 4 Cb -0.25 -0.35 -0.05 0.00 2.95 0.00 0.00 42.46 44.76 1r8p s ILE 4 CO 0.68 0.11 0.38 -0.69 -1.79 0.00 0.00 174.94 173.62 1r8p s VAL 5 N 2.31 5.14 -0.10 8.37 1.01 -0.79 -3.52 120.40 132.82 1r8p s VAL 5 Ca 0.03 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 1r8p s VAL 5 Cb -0.12 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1r8p s VAL 5 CO -0.07 0.51 0.03 -1.00 0.00 0.00 0.00 175.10 174.57 1r8p s HIS 6 N -0.52 3.24 -0.06 5.22 3.76 -1.22 -1.85 115.29 123.86 1r8p s HIS 6 Ca 0.22 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1r8p s HIS 6 Cb -0.15 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.70 1r8p s HIS 6 CO 0.10 0.47 -0.11 -1.17 -0.85 0.00 0.00 174.74 173.18 1r8p s LEU 7 N -0.74 1.65 0.16 0.89 2.96 -0.99 -3.55 118.68 119.06 1r8p s LEU 7 Ca 0.12 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1r8p s LEU 7 Cb -0.12 -0.76 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 1r8p s LEU 7 CO 0.02 0.04 0.13 -0.75 -1.32 0.00 0.00 176.35 174.47 1r8p s LYS 8 N 0.58 1.07 0.00 1.98 2.20 -1.20 -1.87 119.74 122.50 1r8p s LYS 8 Ca -0.12 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 1r8p s LYS 8 Cb -0.14 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1r8p s LYS 8 CO 0.03 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1r8p n GLY 9 N -0.18 0.41 3.70 5.54 0.00 -1.26 -3.53 105.19 109.88 1r8p n GLY 9 Ca -0.03 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.00 6.63 0.01 1.61 1.01 -1.26 -4.32 116.67 116.35 1r8p s ASP 10 Ca 0.00 2.50 -0.04 0.00 0.71 0.00 0.00 52.55 55.71 1r8p s ASP 10 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1r8p s ASP 10 CO 0.00 -0.83 1.07 0.00 0.21 0.00 0.00 175.17 175.61 1r8p h ALA 11 N 7.63 -0.57 -0.89 5.23 0.00 -1.89 -1.66 119.26 127.11 1r8p h ALA 11 Ca -0.42 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 54.72 1r8p h ALA 11 Cb 1.20 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 1r8p h ALA 11 CO 0.92 -0.59 0.31 -2.95 0.00 0.00 0.00 179.25 176.94 1r8p h ASN 12 N -0.08 0.13 0.00 0.00 7.08 -1.99 1.56 115.58 122.28 1r8p h ASN 12 Ca 0.00 0.19 0.00 0.00 -3.08 0.00 0.00 56.30 53.41 1r8p h ASN 12 Cb 0.09 0.22 0.00 0.00 -2.08 0.00 0.00 38.32 36.55 1r8p h ASN 12 CO -0.04 -0.12 0.09 0.74 -2.08 0.00 0.00 177.43 176.02 1r8p h THR 13 N 0.26 0.00 0.00 6.14 2.02 -1.71 -0.69 112.91 118.92 1r8p h THR 13 Ca 0.57 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 67.45 1r8p h THR 13 Cb 1.16 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 1r8p h THR 13 CO -0.62 0.00 -1.79 0.18 0.37 0.00 0.00 175.52 173.66 1r8p n LEU 14 N -2.75 0.75 -0.32 2.58 4.77 0.53 -3.90 117.00 118.67 1r8p n LEU 14 Ca -0.02 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.30 1r8p n LEU 14 Cb 0.15 0.21 0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1r8p n LEU 14 CO 0.15 0.40 1.23 0.11 -1.33 0.00 0.00 177.39 177.94 1r8p h LYS 15 N 0.00 1.08 -0.25 3.23 1.79 -0.68 -2.27 116.57 119.46 1r8p h LYS 15 Ca -0.32 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 57.95 1r8p h LYS 15 Cb 2.03 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 32.43 1r8p h LYS 15 CO 0.07 0.72 -0.42 0.00 -1.08 0.00 0.00 179.45 178.74 1r8p h LEU 17 N 0.50 -0.57 -1.79 0.00 3.38 -1.53 -1.91 115.31 113.39 1r8p h LEU 17 Ca 0.04 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.43 1r8p h LEU 17 Cb 0.94 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1r8p h LEU 17 CO 0.08 -0.37 0.93 -0.09 0.09 0.00 0.00 178.44 179.08 1r8p h ARG 18 N -0.58 0.08 0.00 1.13 2.43 -1.51 1.08 114.38 117.01 1r8p h ARG 18 Ca -0.04 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1r8p h ARG 18 Cb 0.48 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1r8p h ARG 18 CO 0.04 0.05 -0.22 -0.92 -1.51 0.00 0.00 179.97 177.41 1r8p h TYR 19 N 0.08 0.00 0.00 2.20 5.03 -1.40 -1.72 116.97 121.16 1r8p h TYR 19 Ca 0.68 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.97 1r8p h TYR 19 Cb 2.47 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 40.74 1r8p h TYR 19 CO -0.00 0.22 -0.09 0.00 -1.32 0.00 0.00 178.16 176.97 1r8p h ARG 20 N 0.00 0.00 -0.38 1.82 3.08 0.12 -2.84 114.38 116.18 1r8p h ARG 20 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1r8p h ARG 20 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1r8p h ARG 20 CO 0.03 0.09 -0.13 0.74 -1.07 0.00 0.00 179.97 179.62 1r8p h PHE 21 N 0.00 0.76 -0.30 3.04 -1.00 -1.31 -2.67 116.94 115.46 1r8p h PHE 21 Ca -0.00 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.60 1r8p h PHE 21 Cb 0.56 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1r8p h PHE 21 CO 0.00 0.79 -0.01 0.87 -1.61 0.00 0.00 178.31 178.35 1r8p h LYS 22 N 0.62 0.45 0.00 1.51 1.79 -1.59 0.28 116.57 119.64 1r8p h LYS 22 Ca 0.11 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1r8p h LYS 22 Cb 0.59 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1r8p h LYS 22 CO 0.04 0.48 0.00 1.63 -1.08 0.00 0.00 179.45 180.52 1r8p n LYS 23 N -4.30 0.04 -2.75 3.15 4.76 -1.02 -3.57 118.16 114.47 1r8p n LYS 23 Ca 0.01 0.12 -0.03 0.00 -2.87 0.00 0.00 58.31 55.54 1r8p n LYS 23 Cb 0.23 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 31.98 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 -1.47 0.35 0.00 2.13 8.25 -0.36 -4.91 115.22 119.21 1r8p n HIS 24 Ca 0.06 -2.22 0.00 0.00 -0.26 0.00 0.00 57.72 55.30 1r8p n HIS 24 Cb 0.24 0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.37 0.61 -0.09 0.00 -2.24 -1.26 -4.34 114.28 105.57 1r8p n THR 26 Ca 0.00 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.93 1r8p n THR 26 Cb 0.05 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.14 1.86 -4.97 3.22 4.77 0.28 -4.97 117.00 118.33 1r8p n LEU 27 Ca 0.19 0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 56.44 1r8p n LEU 27 Cb 0.50 -0.89 0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1r8p n LEU 27 CO 0.14 -0.03 0.35 -0.72 -1.33 0.00 0.00 177.39 175.80 1r8p s TYR 28 N -2.39 2.86 -0.21 -1.77 -0.85 -1.26 -4.90 117.35 108.83 1r8p s TYR 28 Ca -0.25 -0.03 0.12 0.00 -0.52 0.00 0.00 57.07 56.40 1r8p s TYR 28 Cb 0.05 -2.72 -0.22 0.00 0.38 0.00 0.00 41.96 39.45 1r8p s TYR 28 CO 0.42 -0.84 -0.03 2.41 -1.52 0.00 0.00 175.55 176.00 1r8p n THR 29 N -2.31 1.38 -3.39 -3.49 -1.04 -1.06 -4.96 114.28 99.41 1r8p n THR 29 Ca 0.08 -0.74 0.01 0.00 -2.04 0.00 0.00 64.05 61.36 1r8p n THR 29 Cb 0.60 -0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 68.30 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 -2.48 -2.10 -0.39 2.41 0.00 -1.21 -5.04 121.76 112.95 1r8p s ALA 30 Ca -0.18 2.03 -0.21 0.00 0.00 0.00 0.00 51.96 53.60 1r8p s ALA 30 Cb 0.07 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1r8p s ALA 30 CO 0.73 -1.13 0.67 0.14 0.00 0.00 0.00 175.76 176.16 1r8p s VAL 31 N 2.86 4.83 0.51 0.00 -7.23 -1.26 -2.49 120.40 117.62 1r8p s VAL 31 Ca 0.08 0.46 -0.21 0.00 -1.81 0.00 0.00 61.98 60.50 1r8p s VAL 31 Cb -0.14 -4.15 -0.06 0.00 0.56 0.00 0.00 36.38 32.59 1r8p s VAL 31 CO -0.20 -0.44 1.18 -0.44 -0.31 0.00 0.00 175.10 174.88 1r8p s SER 32 N 1.89 5.84 0.89 4.85 0.01 -0.86 -4.98 113.70 121.34 1r8p s SER 32 Ca 0.25 2.31 -0.10 0.00 1.31 0.00 0.00 55.95 59.72 1r8p s SER 32 Cb -0.14 -2.60 0.13 0.00 0.21 0.00 0.00 66.02 63.62 1r8p s SER 32 CO 0.17 -1.14 1.15 -0.94 0.41 0.00 0.00 173.24 172.88 1r8p s SER 33 N -1.48 3.15 0.22 2.44 1.04 -1.26 -4.27 113.70 113.54 1r8p s SER 33 Ca 0.69 2.17 -0.30 0.00 0.48 0.00 0.00 55.95 58.98 1r8p s SER 33 Cb -0.28 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.18 1r8p s SER 33 CO 0.33 -2.95 1.35 -0.89 0.98 0.00 0.00 173.24 172.06 1r8p s THR 34 N -2.64 3.02 0.30 2.02 2.01 -1.26 -4.57 115.64 114.52 1r8p s THR 34 Ca 0.67 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.52 1r8p s THR 34 Cb -0.23 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 1r8p s THR 34 CO 0.57 0.13 0.39 -2.67 -0.69 0.00 0.00 174.62 172.35 1r8p n TRP 35 N 2.45 -1.18 -3.83 4.92 4.27 0.66 -4.88 117.44 119.85 1r8p n TRP 35 Ca 0.06 -2.14 -0.06 0.00 -3.89 0.00 0.00 57.50 51.47 1r8p n TRP 35 Cb 0.42 0.43 0.00 0.00 -1.36 0.00 0.00 31.31 30.80 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 -3.18 -0.04 -0.63 -2.67 2.46 -1.26 0.29 115.29 110.26 1r8p s HIS 36 Ca 0.27 -0.46 -0.28 0.00 0.47 0.00 0.00 55.06 55.07 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 0.20 -1.23 1.31 -1.58 -2.47 0.00 0.00 174.74 170.96 1r8p s TRP 37 N -3.01 2.37 0.51 3.88 0.52 -1.26 -4.98 118.94 116.97 1r8p s TRP 37 Ca 0.14 0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.55 1r8p s TRP 37 Cb -0.04 -4.51 0.01 0.00 -1.15 0.00 0.00 33.47 27.78 1r8p s TRP 37 CO 0.07 -1.89 0.09 0.25 0.02 0.00 0.00 176.95 175.49 1r8p n THR 38 N 6.64 0.00 0.00 2.01 -2.24 -1.26 -5.08 114.28 114.35 1r8p n THR 38 Ca 0.08 -2.32 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 1r8p n THR 38 Cb 0.49 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1r8p n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r8p n GLY 39 N -1.10 -2.00 1.94 3.38 0.00 -1.26 -5.08 105.19 101.07 1r8p n GLY 39 Ca -0.17 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.04 -1.76 -3.40 1.61 -0.00 -1.26 -5.02 115.22 105.35 1r8p n HIS 40 Ca 0.00 0.31 -0.44 0.00 0.46 0.00 0.00 57.72 58.05 1r8p n HIS 40 Cb 0.00 0.53 -0.06 0.00 -0.12 0.00 0.00 29.99 30.34 1r8p n HIS 40 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1r8p s ASN 41 N -4.78 6.01 0.02 0.26 -0.87 -1.26 -5.04 114.94 109.28 1r8p s ASN 41 Ca 0.00 -1.84 0.02 0.00 -1.57 0.00 0.00 52.86 49.47 1r8p s ASN 41 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 1r8p s ASN 41 CO 0.00 -0.80 -0.06 0.68 -2.57 0.00 0.00 177.10 174.35 1r8p s VAL 42 N 1.51 0.45 0.00 1.60 -7.23 -1.26 -5.11 120.40 110.36 1r8p s VAL 42 Ca 0.04 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1r8p s VAL 42 Cb -0.29 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.20 1r8p s VAL 42 CO 0.02 -0.12 0.00 0.29 -0.31 0.00 0.00 175.10 174.98 1r8p n LYS 43 N 2.27 0.00 -3.66 4.82 5.02 -1.26 -5.06 118.16 120.29 1r8p n LYS 43 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 1r8p n LYS 43 Cb 0.57 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.46 1r8p n LYS 43 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1r8p s HIS 44 N 0.12 -0.60 0.00 2.13 -3.43 -1.26 -5.13 115.29 107.12 1r8p s HIS 44 Ca 0.00 1.23 0.00 0.00 -0.80 0.00 0.00 55.06 55.49 1r8p s HIS 44 Cb 0.00 0.13 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 1r8p s HIS 44 CO 0.00 -0.41 0.00 1.63 -2.00 0.00 0.00 174.74 173.96 1r8p n LYS 45 N 5.34 0.00 -3.46 -0.38 4.76 -1.26 -5.13 118.16 118.03 1r8p n LYS 45 Ca -0.08 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.19 1r8p n LYS 45 Cb 0.50 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.57 1r8p n LYS 45 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1r8p s SER 46 N 0.87 1.33 0.84 4.39 0.01 -1.26 -4.85 113.70 115.03 1r8p s SER 46 Ca 0.00 -0.28 -0.17 0.00 1.31 0.00 0.00 55.95 56.82 1r8p s SER 46 Cb 0.00 0.48 -0.14 0.00 0.21 0.00 0.00 66.02 66.57 1r8p s SER 46 CO 0.00 -0.34 -0.61 0.00 0.41 0.00 0.00 173.24 172.70 1r8p n ALA 47 N 5.32 -4.80 -3.07 1.44 0.00 -1.26 -4.55 120.51 113.59 1r8p n ALA 47 Ca -0.05 -0.51 -0.11 0.00 0.00 0.00 0.00 53.44 52.78 1r8p n ALA 47 Cb 0.49 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.92 0.08 0.43 0.00 1.01 0.82 -4.03 121.20 117.59 1r8p s ILE 48 Ca 0.42 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1r8p s ILE 48 Cb -0.25 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1r8p s ILE 48 CO 0.75 -0.34 0.11 0.55 0.00 0.00 0.00 174.94 176.01 1r8p n VAL 49 N 1.70 0.00 -3.86 2.92 3.14 -0.78 0.24 118.33 121.69 1r8p n VAL 49 Ca -0.21 -2.37 -0.10 0.00 -2.96 0.00 0.00 64.34 58.69 1r8p n VAL 49 Cb 0.56 0.76 -0.09 0.00 -1.06 0.00 0.00 33.84 34.02 1r8p n VAL 49 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r8p s THR 50 N -3.02 0.11 -0.07 1.55 2.01 -1.26 -2.35 115.64 112.61 1r8p s THR 50 Ca 0.16 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1r8p s THR 50 Cb 0.01 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1r8p s THR 50 CO 0.11 -0.49 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.74 1r8p s LEU 51 N -1.98 1.08 -0.14 4.42 1.43 -0.77 -2.03 118.68 120.68 1r8p s LEU 51 Ca -0.07 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1r8p s LEU 51 Cb -0.02 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 1r8p s LEU 51 CO -0.03 -0.11 0.24 -0.89 0.23 0.00 0.00 176.35 175.80 1r8p s THR 52 N 1.43 5.33 0.18 5.49 2.01 -1.04 -1.89 115.64 127.16 1r8p s THR 52 Ca -0.02 0.44 0.10 0.00 0.31 0.00 0.00 61.69 62.53 1r8p s THR 52 Cb -0.13 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1r8p s THR 52 CO -0.03 0.46 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.86 1r8p s TYR 53 N 0.02 2.44 -1.00 4.92 1.51 -1.14 -2.56 117.35 121.53 1r8p s TYR 53 Ca 0.15 -0.30 0.27 0.00 -1.01 0.00 0.00 57.07 56.18 1r8p s TYR 53 Cb -0.13 -1.21 0.86 0.00 -0.11 0.00 0.00 41.96 41.37 1r8p s TYR 53 CO 0.04 0.49 1.66 -3.47 -1.11 0.00 0.00 175.55 173.16 1r8p n ASP 54 N 0.24 0.26 -3.46 2.29 2.03 -1.26 -3.87 116.55 112.78 1r8p n ASP 54 Ca -0.12 0.10 -0.11 0.00 0.52 0.00 0.00 54.79 55.19 1r8p n ASP 54 Cb 0.55 -0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 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 -3.00 -0.49 0.17 1.67 0.01 -1.26 -4.94 113.70 105.86 1r8p s SER 55 Ca 0.12 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 1r8p s SER 55 Cb 0.18 0.53 0.04 0.00 0.21 0.00 0.00 66.02 66.98 1r8p s SER 55 CO 0.62 -0.86 1.47 -0.33 0.41 0.00 0.00 173.24 174.55 1r8p h GLU 56 N 2.00 0.71 -0.13 12.44 5.08 -1.93 -3.11 114.58 129.63 1r8p h GLU 56 Ca -0.30 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 57.67 1r8p h GLU 56 Cb 1.28 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 1r8p h GLU 56 CO 0.35 1.05 -0.18 2.35 -1.00 0.00 0.00 179.01 181.58 1r8p h TRP 57 N 0.55 -0.47 -0.68 4.33 -0.00 -2.00 -1.36 115.95 116.31 1r8p h TRP 57 Ca 0.02 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.98 1r8p h TRP 57 Cb 1.09 0.23 -0.04 0.00 -0.00 0.00 0.00 29.16 30.44 1r8p h TRP 57 CO 0.06 -0.26 0.45 0.37 -0.00 0.00 0.00 178.44 179.06 1r8p h GLN 58 N -0.23 0.73 0.36 2.65 4.15 -1.94 -2.47 115.11 118.36 1r8p h GLN 58 Ca 0.10 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1r8p h GLN 58 Cb 0.37 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1r8p h GLN 58 CO -0.27 0.48 -0.21 -0.09 -1.93 0.00 0.00 178.83 176.81 1r8p h ARG 59 N 0.75 -0.52 0.00 1.69 2.43 -1.19 -2.03 114.38 115.51 1r8p h ARG 59 Ca 0.29 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1r8p h ARG 59 Cb 0.19 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1r8p h ARG 59 CO -0.09 -0.35 -0.03 0.22 -1.51 0.00 0.00 179.97 178.21 1r8p h ASP 60 N -0.54 0.00 0.36 -3.80 1.82 -1.16 -2.69 116.42 110.40 1r8p h ASP 60 Ca -0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 1r8p h ASP 60 Cb 0.44 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1r8p h ASP 60 CO 0.05 0.03 -0.17 1.56 -1.61 0.00 0.00 179.24 179.10 1r8p h GLN 61 N 0.00 -0.47 -0.99 0.28 4.20 -0.93 -2.84 115.11 114.37 1r8p h GLN 61 Ca -0.00 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.84 1r8p h GLN 61 Cb 0.08 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 1r8p h GLN 61 CO 0.00 -0.17 0.63 0.35 -0.67 0.00 0.00 178.83 178.98 1r8p h PHE 62 N -0.76 1.14 -0.03 2.96 3.04 -1.18 0.19 116.94 122.31 1r8p h PHE 62 Ca -0.05 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.94 1r8p h PHE 62 Cb 0.51 -0.37 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 1r8p h PHE 62 CO 0.01 0.51 0.05 -0.07 -2.02 0.00 0.00 178.31 176.78 1r8p h LEU 63 N 1.04 0.00 0.00 0.59 3.38 -1.35 -0.10 115.31 118.88 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 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1r8p h LEU 63 CO -0.23 0.00 -1.38 -0.24 0.09 0.00 0.00 178.44 176.69 1r8p n SER 64 N -3.59 0.49 -0.06 -0.43 2.88 0.59 -4.03 113.62 109.47 1r8p n SER 64 Ca -0.02 0.07 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1r8p n SER 64 Cb 0.13 1.10 0.13 0.00 -0.75 0.00 0.00 64.21 64.82 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 -2.35 0.18 -4.06 -1.46 1.13 -0.21 -4.86 117.38 105.75 1r8p n GLN 65 Ca -0.01 -0.13 -0.17 0.00 -1.94 0.00 0.00 57.00 54.75 1r8p n GLN 65 Cb 0.53 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.23 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 -2.90 0.34 -0.38 5.09 -7.23 -0.25 -5.07 120.40 109.99 1r8p s VAL 66 Ca 0.12 -0.06 -0.03 0.00 -1.81 0.00 0.00 61.98 60.19 1r8p s VAL 66 Cb 0.17 -0.36 0.09 0.00 0.56 0.00 0.00 36.38 36.84 1r8p s VAL 66 CO 0.72 0.15 0.16 -1.59 -0.31 0.00 0.00 175.10 174.24 1r8p s LYS 67 N 0.62 2.17 -0.06 4.82 -2.85 -1.26 -4.69 119.74 118.49 1r8p s LYS 67 Ca -0.07 -1.64 -0.22 0.00 -1.00 0.00 0.00 55.97 53.05 1r8p s LYS 67 Cb -0.10 -3.51 -0.04 0.00 -2.06 0.00 0.00 37.83 32.12 1r8p s LYS 67 CO -0.01 -0.94 0.63 0.42 0.10 0.00 0.00 175.35 175.55 1r8p s ILE 68 N 1.20 5.05 1.00 3.79 1.01 -1.26 -5.02 121.20 126.97 1r8p s ILE 68 Ca 0.04 1.31 -0.19 0.00 0.00 0.00 0.00 60.65 61.81 1r8p s ILE 68 Cb -0.22 -3.97 -0.15 0.00 0.01 0.00 0.00 42.46 38.12 1r8p s ILE 68 CO -0.03 0.30 -0.93 -0.81 0.00 0.00 0.00 174.94 173.47 1r8p n PRO 69 N 3.55 -0.03 0.00 2.79 -0.04 -1.26 -4.73 135.00 135.28 1r8p n PRO 69 Ca -0.03 -0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1r8p n PRO 69 Cb 0.51 -1.04 0.47 0.00 -0.04 0.00 0.00 33.50 33.41 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 2.31 0.75 0.10 0.54 5.02 -1.26 -2.88 118.16 122.74 1r8p n LYS 70 Ca -0.02 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1r8p n LYS 70 Cb 0.60 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 1r8p n LYS 70 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1r8p h THR 71 N 0.00 0.64 -3.49 -0.18 2.02 -1.95 -3.43 112.91 106.52 1r8p h THR 71 Ca 0.00 -2.02 -0.69 0.00 0.77 0.00 0.00 66.41 64.47 1r8p h THR 71 Cb 0.00 2.20 -0.18 0.00 -1.74 0.00 0.00 68.15 68.43 1r8p h THR 71 CO 0.00 0.37 -0.10 -0.63 0.37 0.00 0.00 175.52 175.52 1r8p s ILE 72 N -2.98 5.00 0.26 3.11 1.01 -1.14 -4.60 121.20 121.86 1r8p s ILE 72 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1r8p s ILE 72 Cb 0.08 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1r8p s ILE 72 CO 0.77 -0.53 0.45 -0.89 0.00 0.00 0.00 174.94 174.74 1r8p s THR 73 N 2.34 5.17 -0.05 2.92 2.01 -1.23 -4.87 115.64 121.93 1r8p s THR 73 Ca 0.14 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1r8p s THR 73 Cb -0.17 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.57 1r8p s THR 73 CO 0.14 -0.33 0.12 0.54 -0.69 0.00 0.00 174.62 174.40 1r8p s VAL 74 N -2.04 -0.02 0.56 3.82 0.11 -1.25 -3.27 120.40 118.32 1r8p s VAL 74 Ca 0.39 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 1r8p s VAL 74 Cb -0.10 -0.18 0.08 0.00 -1.53 0.00 0.00 36.38 34.65 1r8p s VAL 74 CO 0.31 0.03 0.70 -1.20 -3.33 0.00 0.00 175.10 171.61 1r8p n SER 75 N 3.44 2.23 -4.25 3.54 7.64 -1.23 -4.87 113.62 120.13 1r8p n SER 75 Ca -0.17 -2.59 -0.18 0.00 1.01 0.00 0.00 58.87 56.93 1r8p n SER 75 Cb 0.56 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 1r8p n SER 75 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1r8p s THR 76 N -2.58 1.37 0.00 0.44 -4.23 -1.26 -3.42 115.64 105.97 1r8p s THR 76 Ca 0.53 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1r8p s THR 76 Cb -0.04 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.26 1r8p s THR 76 CO 0.34 -0.39 0.04 0.61 -0.54 0.00 0.00 174.62 174.68 1r8p n GLY 77 N 0.56 1.05 3.19 3.99 0.00 -1.23 -4.99 105.19 107.76 1r8p n GLY 77 Ca -0.16 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.86 -0.07 0.33 1.61 0.08 -1.26 -2.71 117.98 111.09 1r8p s PHE 78 Ca 0.01 0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.17 1r8p s PHE 78 Cb -0.00 0.03 -0.07 0.00 -0.57 0.00 0.00 43.02 42.42 1r8p s PHE 78 CO 0.00 -0.36 -0.01 1.41 -0.10 0.00 0.00 175.22 176.16 1r8p s MET 79 N -1.51 1.70 -0.27 0.44 1.75 -1.18 -4.95 119.30 115.27 1r8p s MET 79 Ca -0.13 -1.91 -0.01 0.00 -1.25 0.00 0.00 55.69 52.39 1r8p s MET 79 Cb -0.06 -1.23 0.09 0.00 2.84 0.00 0.00 34.83 36.47 1r8p s MET 79 CO 0.02 -0.04 0.06 0.45 -0.65 0.00 0.00 175.02 174.86 1r8p s SER 80 N -3.53 3.76 0.00 1.11 0.15 -1.26 -3.32 113.70 110.61 1r8p s SER 80 Ca 0.33 -1.40 0.29 0.00 0.70 0.00 0.00 55.95 55.87 1r8p s SER 80 Cb 0.07 -0.86 1.16 0.00 -1.71 0.00 0.00 66.02 64.68 1r8p s SER 80 CO 0.15 -0.37 1.81 0.00 1.20 0.00 0.00 173.24 176.03