#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8p s THR -9 N 0.00 -0.63 -0.80 0.58 2.01 -1.26 -5.06 115.64 110.48 1v8p s THR -9 Ca 0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1v8p s THR -9 Cb 0.00 -1.00 -0.15 0.00 0.01 0.00 0.00 72.50 71.36 1v8p s THR -9 CO 0.00 0.00 2.40 0.41 -0.69 0.00 0.00 174.62 176.74 1v8p n THR -8 N 5.40 0.00 -3.55 -0.82 -1.04 -1.26 -4.61 114.28 108.40 1v8p n THR -8 Ca -0.05 -0.48 -0.28 0.00 -2.04 0.00 0.00 64.05 61.20 1v8p n THR -8 Cb 0.52 -1.96 -0.09 0.00 -1.82 0.00 0.00 70.33 66.99 1v8p n THR -8 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1v8p n GLU -7 N 8.73 2.40 -1.54 -2.82 0.28 -1.18 -5.06 120.64 121.45 1v8p n GLU -7 Ca 0.47 -4.62 -0.37 0.00 -0.16 0.00 0.00 57.16 52.48 1v8p n GLU -7 Cb 0.43 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 30.97 1v8p n GLU -7 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1v8p n ASN -6 N 1.22 2.09 -0.60 -1.84 3.02 -1.23 -4.73 115.26 113.19 1v8p n ASN -6 Ca 0.27 -0.37 0.11 0.00 -0.03 0.00 0.00 54.58 54.56 1v8p n ASN -6 Cb 0.39 -1.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.09 1v8p n ASN -6 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1v8p n LEU -5 N 14.89 2.24 -0.05 3.41 4.77 -1.26 -4.27 117.00 136.73 1v8p n LEU -5 Ca 0.41 -0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 55.50 1v8p n LEU -5 Cb 0.47 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1v8p n LEU -5 CO 0.74 0.40 0.83 1.88 -1.33 0.00 0.00 177.39 179.91 1v8p h TYR -4 N 2.93 -0.10 -3.72 -1.77 0.05 -1.85 -3.39 116.97 109.11 1v8p h TYR -4 Ca 0.00 0.02 -0.52 0.00 0.05 0.00 0.00 58.73 58.28 1v8p h TYR -4 Cb 0.81 0.08 0.06 0.00 1.01 0.00 0.00 36.73 38.69 1v8p h TYR -4 CO 0.00 -0.09 0.65 0.12 -1.05 0.00 0.00 178.16 177.80 1v8p s PHE -3 N -6.20 3.10 -0.10 4.88 5.36 -1.26 -4.04 117.98 119.71 1v8p s PHE -3 Ca -0.13 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.14 1v8p s PHE -3 Cb 0.11 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 1v8p s PHE -3 CO 0.69 -1.93 0.13 1.04 -1.46 0.00 0.00 175.22 173.69 1v8p n GLN -2 N 1.34 -0.62 0.00 10.12 6.02 -1.26 -4.92 117.38 128.06 1v8p n GLN -2 Ca 0.02 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 1v8p n GLN -2 Cb 0.42 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 29.20 1v8p n GLN -2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1v8p n GLY -1 N -0.38 0.92 0.00 1.08 0.00 -1.26 -5.00 105.19 100.55 1v8p n GLY -1 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1v8p n GLY -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8p n ALA 0 N 0.00 -1.22 -0.50 4.61 0.00 -1.26 -4.96 120.51 117.19 1v8p n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v8p n ALA 0 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1v8p n ALA 0 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1v8p n MET 1 N 0.62 0.00 0.00 0.00 2.00 -1.26 -4.20 117.12 114.28 1v8p n MET 1 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 57.70 57.85 1v8p n MET 1 Cb 0.00 -0.09 0.90 0.00 0.00 0.00 0.00 33.22 34.03 1v8p n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1v8p n ALA 2 N 0.00 2.63 -2.14 3.04 0.00 -1.26 -4.81 120.51 117.97 1v8p n ALA 2 Ca 0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1v8p n ALA 2 Cb 0.06 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 1v8p n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1v8p s VAL 3 N -2.10 3.68 0.00 0.00 1.01 -1.24 -4.31 120.40 117.45 1v8p s VAL 3 Ca 0.44 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1v8p s VAL 3 Cb 0.21 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1v8p s VAL 3 CO 0.38 0.19 0.00 -0.62 0.00 0.00 0.00 175.10 175.04 1v8p n GLU 4 N 2.89 2.94 -4.15 2.72 1.02 -0.45 -4.99 120.64 120.63 1v8p n GLU 4 Ca 0.06 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.02 1v8p n GLU 4 Cb 0.45 -0.69 -0.15 0.00 -0.02 0.00 0.00 31.44 31.03 1v8p n GLU 4 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1v8p s TYR 5 N -1.23 0.55 -0.26 -0.32 1.51 0.08 -2.09 117.35 115.58 1v8p s TYR 5 Ca 0.00 -0.11 -0.10 0.00 -1.01 0.00 0.00 57.07 55.85 1v8p s TYR 5 Cb 0.00 -0.43 -0.05 0.00 -0.11 0.00 0.00 41.96 41.37 1v8p s TYR 5 CO 0.00 -0.08 0.16 -1.17 -1.11 0.00 0.00 175.55 173.36 1v8p s LEU 6 N 0.32 3.95 -0.11 -1.29 2.96 -0.83 -0.80 118.68 122.87 1v8p s LEU 6 Ca -0.04 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1v8p s LEU 6 Cb -0.07 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1v8p s LEU 6 CO -0.00 -0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.38 1v8p s VAL 7 N 1.53 4.77 0.51 1.68 1.01 0.39 0.50 120.40 130.79 1v8p s VAL 7 Ca 0.07 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1v8p s VAL 7 Cb -0.15 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1v8p s VAL 7 CO 0.08 0.58 0.53 1.51 0.00 0.00 0.00 175.10 177.81 1v8p s ASP 8 N -0.70 4.97 0.16 3.32 -4.77 -0.94 -4.53 116.67 114.20 1v8p s ASP 8 Ca 0.12 -0.92 -0.15 0.00 -3.30 0.00 0.00 52.55 48.29 1v8p s ASP 8 Cb -0.12 0.04 0.10 0.00 -1.09 0.00 0.00 42.92 41.85 1v8p s ASP 8 CO 0.02 -1.03 1.74 0.00 0.70 0.00 0.00 175.17 176.60 1v8p h ALA 9 N 0.63 0.46 -0.45 2.11 0.00 -1.91 0.56 119.26 120.66 1v8p h ALA 9 Ca -0.36 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1v8p h ALA 9 Cb 1.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1v8p h ALA 9 CO 0.51 -0.28 0.03 0.66 0.00 0.00 0.00 179.25 180.17 1v8p h SER 10 N 0.26 0.68 0.32 0.00 4.64 -1.96 0.17 113.55 117.67 1v8p h SER 10 Ca 0.19 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1v8p h SER 10 Cb 0.19 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1v8p h SER 10 CO -0.21 0.73 -0.16 0.00 -0.87 0.00 0.00 176.83 176.32 1v8p h ALA 11 N 1.35 -0.44 -0.76 5.18 0.00 -1.64 -3.00 119.26 119.94 1v8p h ALA 11 Ca 0.14 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.04 1v8p h ALA 11 Cb 0.38 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.21 1v8p h ALA 11 CO 0.01 -0.52 0.02 1.25 0.00 0.00 0.00 179.25 180.02 1v8p h LEU 12 N -0.89 -0.32 -0.27 0.00 7.12 0.23 -0.32 115.31 120.87 1v8p h LEU 12 Ca -0.04 0.19 0.06 0.00 0.13 0.00 0.00 57.88 58.22 1v8p h LEU 12 Cb 0.52 0.34 -0.08 0.00 -0.53 0.00 0.00 40.66 40.91 1v8p h LEU 12 CO 0.07 -0.18 -0.32 0.22 -0.13 0.00 0.00 178.44 178.10 1v8p h TYR 13 N 0.11 -0.90 -0.12 1.25 3.20 -0.61 -1.94 116.97 117.97 1v8p h TYR 13 Ca 0.42 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.33 1v8p h TYR 13 Cb 0.75 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 1v8p h TYR 13 CO -0.41 -0.39 0.03 0.00 -1.64 0.00 0.00 178.16 175.75 1v8p h ALA 14 N 0.58 0.16 -0.13 1.82 0.00 -1.01 -2.57 119.26 118.12 1v8p h ALA 14 Ca 0.13 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1v8p h ALA 14 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1v8p h ALA 14 CO -0.44 -0.21 0.39 -0.07 0.00 0.00 0.00 179.25 178.92 1v8p h LEU 15 N -0.01 0.00 -2.10 0.00 3.38 -0.79 -1.14 115.31 114.65 1v8p h LEU 15 Ca 0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1v8p h LEU 15 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1v8p h LEU 15 CO 0.00 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.59 1v8p h ALA 16 N 1.34 1.96 -0.61 1.53 0.00 -0.92 -1.58 119.26 120.98 1v8p h ALA 16 Ca 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1v8p h ALA 16 Cb 0.84 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1v8p h ALA 16 CO -0.00 -0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.30 1v8p n ALA 17 N -2.50 4.13 -1.91 0.00 0.00 -0.43 -3.93 120.51 115.86 1v8p n ALA 17 Ca -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1v8p n ALA 17 Cb 0.16 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1v8p n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1v8p n HIS 18 N 0.20 0.00 -0.10 0.00 -0.00 -0.60 -4.98 115.22 109.74 1v8p n HIS 18 Ca 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 58.01 1v8p n HIS 18 Cb 1.22 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.99 31.14 1v8p n HIS 18 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1v8p n TYR 19 N 0.00 -0.11 -0.11 4.41 9.36 -1.18 -0.33 117.16 129.21 1v8p n TYR 19 Ca 0.00 0.30 -0.06 0.00 3.32 0.00 0.00 57.90 61.46 1v8p n TYR 19 Cb 0.68 -0.49 0.02 0.00 -0.63 0.00 0.00 39.34 38.92 1v8p n TYR 19 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1v8p h ASP 20 N 0.00 0.12 -0.04 2.98 3.32 -1.93 0.17 116.42 121.03 1v8p h ASP 20 Ca 0.04 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1v8p h ASP 20 Cb 0.10 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1v8p h ASP 20 CO -0.23 0.10 0.32 0.11 -1.72 0.00 0.00 179.24 177.82 1v8p h LYS 21 N 0.27 0.00 0.00 3.56 1.57 -1.09 -3.24 116.57 117.63 1v8p h LYS 21 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1v8p h LYS 21 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1v8p h LYS 21 CO -0.18 0.00 -0.11 -2.67 -0.57 0.00 0.00 179.45 175.92 1v8p n TRP 22 N -3.00 0.00 -0.30 -1.35 4.27 -0.96 -4.87 117.44 111.23 1v8p n TRP 22 Ca -0.01 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.71 1v8p n TRP 22 Cb 0.38 0.00 0.28 0.00 -1.36 0.00 0.00 31.31 30.61 1v8p n TRP 22 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1v8p h ILE 23 N 0.00 0.48 0.00 -1.67 6.09 -0.71 0.99 117.51 122.69 1v8p h ILE 23 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1v8p h ILE 23 Cb 0.00 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.36 1v8p h ILE 23 CO 0.00 0.07 0.00 0.29 -3.07 0.00 0.00 178.15 175.44 1v8p n LYS 24 N -5.07 0.19 0.00 2.19 5.02 -1.26 -1.85 118.16 117.38 1v8p n LYS 24 Ca 0.20 0.48 0.12 0.00 -2.02 0.00 0.00 58.31 57.10 1v8p n LYS 24 Cb 0.61 -1.92 0.17 0.00 -0.02 0.00 0.00 35.03 33.88 1v8p n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1v8p n HIS 25 N -2.29 0.00 -0.20 2.13 8.25 0.33 -4.66 115.22 118.78 1v8p n HIS 25 Ca 0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.62 1v8p n HIS 25 Cb 0.19 -0.03 0.27 0.00 1.12 0.00 0.00 29.99 31.54 1v8p n HIS 25 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1v8p n ARG 26 N 0.17 -0.04 0.13 -0.41 1.85 -0.77 0.21 116.66 117.79 1v8p n ARG 26 Ca 0.12 0.84 0.08 0.00 -1.00 0.00 0.00 57.85 57.90 1v8p n ARG 26 Cb 0.46 -1.44 0.43 0.00 -1.05 0.00 0.00 32.46 30.85 1v8p n ARG 26 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1v8p n GLU 27 N -4.51 0.10 0.00 2.89 0.00 -1.26 -0.73 120.64 117.13 1v8p n GLU 27 Ca 0.19 0.59 0.12 0.00 0.00 0.00 0.00 57.16 58.06 1v8p n GLU 27 Cb 0.63 -1.88 0.11 0.00 0.00 0.00 0.00 31.44 30.31 1v8p n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1v8p n LYS 28 N -2.05 1.40 -4.70 3.44 5.02 0.13 -3.68 118.16 117.72 1v8p n LYS 28 Ca -0.01 -1.10 -0.33 0.00 -2.02 0.00 0.00 58.31 54.85 1v8p n LYS 28 Cb 0.07 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.47 1v8p n LYS 28 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1v8p s LEU 29 N -2.36 2.89 0.16 -0.35 2.01 0.09 -0.74 118.68 120.37 1v8p s LEU 29 Ca 0.23 -0.22 0.05 0.00 0.01 0.00 0.00 54.13 54.19 1v8p s LEU 29 Cb 0.19 -1.64 -0.05 0.00 0.01 0.00 0.00 46.19 44.70 1v8p s LEU 29 CO 0.50 0.23 -0.10 0.00 1.01 0.00 0.00 176.35 177.99 1v8p s ALA 30 N -0.01 1.52 0.38 4.21 0.00 0.02 -2.68 121.76 125.19 1v8p s ALA 30 Ca -0.02 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.47 1v8p s ALA 30 Cb -0.14 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1v8p s ALA 30 CO 0.04 -0.10 0.20 0.44 0.00 0.00 0.00 175.76 176.34 1v8p n ILE 31 N -0.23 0.00 -4.15 0.00 -5.35 0.01 -0.46 119.36 109.18 1v8p n ILE 31 Ca -0.10 -2.40 -0.23 0.00 -0.27 0.00 0.00 62.75 59.75 1v8p n ILE 31 Cb 0.61 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.45 1v8p n ILE 31 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1v8p s LEU 32 N 0.00 3.27 0.43 7.28 1.43 -1.26 -1.04 118.68 128.79 1v8p s LEU 32 Ca 0.29 -0.71 0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1v8p s LEU 32 Cb 0.01 -1.76 0.95 0.00 0.03 0.00 0.00 46.19 45.42 1v8p s LEU 32 CO 0.20 -0.21 2.05 0.45 0.23 0.00 0.00 176.35 179.08 1v8p h HIS 33 N 1.63 0.44 -0.76 0.29 3.86 -1.93 -1.85 115.15 116.83 1v8p h HIS 33 Ca -0.44 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 58.87 1v8p h HIS 33 Cb 1.25 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 29.52 1v8p h HIS 33 CO 0.64 0.26 0.50 1.25 0.86 0.00 0.00 177.93 181.44 1v8p h LEU 34 N 0.46 0.62 -1.17 2.43 6.46 -1.95 -2.70 115.31 119.45 1v8p h LEU 34 Ca 0.16 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1v8p h LEU 34 Cb 0.08 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 39.83 1v8p h LEU 34 CO -0.04 0.37 0.58 0.74 -0.62 0.00 0.00 178.44 179.48 1v8p h THR 35 N 0.69 0.98 -0.27 1.05 2.02 -1.72 -2.20 112.91 113.47 1v8p h THR 35 Ca 0.35 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1v8p h THR 35 Cb 0.45 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1v8p h THR 35 CO -0.13 0.17 0.12 0.40 0.37 0.00 0.00 175.52 176.45 1v8p h ILE 36 N 0.92 0.98 -0.54 3.11 2.04 -1.61 -0.66 117.51 121.75 1v8p h ILE 36 Ca 0.42 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 66.09 1v8p h ILE 36 Cb 0.38 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1v8p h ILE 36 CO -0.18 0.05 -0.05 1.88 0.00 0.00 0.00 178.15 179.85 1v8p h TYR 37 N 0.26 1.07 -0.32 1.37 -1.99 -1.54 -0.77 116.97 115.05 1v8p h TYR 37 Ca 0.11 -0.19 -0.09 0.00 2.00 0.00 0.00 58.73 60.55 1v8p h TYR 37 Cb 0.04 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.49 1v8p h TYR 37 CO -0.10 0.98 -0.17 0.93 -0.00 0.00 0.00 178.16 179.80 1v8p h GLU 38 N 0.88 0.69 -0.27 4.88 5.08 -1.28 0.32 114.58 124.88 1v8p h GLU 38 Ca 0.15 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1v8p h GLU 38 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1v8p h GLU 38 CO 0.04 0.90 0.18 0.00 -1.00 0.00 0.00 179.01 179.12 1v8p h ALA 39 N 0.77 0.34 -0.25 3.43 0.00 -1.02 -0.68 119.26 121.86 1v8p h ALA 39 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1v8p h ALA 39 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1v8p h ALA 39 CO 0.05 -0.18 0.15 0.78 0.00 0.00 0.00 179.25 180.05 1v8p h GLY 40 N 0.36 0.35 1.36 0.00 0.00 -0.99 -2.15 103.07 102.01 1v8p h GLY 40 Ca 0.10 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.34 1v8p h GLY 40 CO -0.02 0.14 0.30 -0.57 0.00 0.00 0.00 176.54 176.38 1v8p h ASN 41 N 0.32 0.32 -0.35 0.19 -0.73 0.01 0.25 115.58 115.59 1v8p h ASN 41 Ca 0.09 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.12 1v8p h ASN 41 Cb -0.01 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1v8p h ASN 41 CO -0.02 0.21 -0.32 0.00 -0.37 0.00 0.00 177.43 176.94 1v8p h ALA 42 N 1.76 0.69 -0.05 1.57 0.00 -0.51 -2.49 119.26 120.23 1v8p h ALA 42 Ca 0.19 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1v8p h ALA 42 Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1v8p h ALA 42 CO -0.05 0.67 -0.82 1.25 0.00 0.00 0.00 179.25 180.30 1v8p h LEU 43 N 0.73 0.52 -0.55 0.00 6.46 -0.86 -3.08 115.31 118.54 1v8p h LEU 43 Ca 0.08 -0.37 0.07 0.00 -0.12 0.00 0.00 57.88 57.53 1v8p h LEU 43 Cb 0.88 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 1v8p h LEU 43 CO 0.08 1.14 0.23 -0.25 -0.62 0.00 0.00 178.44 179.02 1v8p h TRP 44 N 0.27 0.42 -0.20 1.25 7.01 -0.85 0.51 115.95 124.34 1v8p h TRP 44 Ca -0.05 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 1v8p h TRP 44 Cb 1.42 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 1v8p h TRP 44 CO 0.05 0.15 -0.08 0.87 -2.79 0.00 0.00 178.44 176.64 1v8p h LYS 45 N 0.44 0.32 -0.14 2.65 1.57 -1.42 0.15 116.57 120.14 1v8p h LYS 45 Ca 0.26 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.75 1v8p h LYS 45 Cb 0.26 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1v8p h LYS 45 CO -0.24 0.42 -0.80 0.93 -0.57 0.00 0.00 179.45 179.19 1v8p h GLU 46 N 0.30 0.77 0.55 3.15 5.08 -1.26 -1.63 114.58 121.55 1v8p h GLU 46 Ca 0.06 -0.65 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1v8p h GLU 46 Cb 0.34 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1v8p h GLU 46 CO 0.02 1.25 -0.26 0.00 -1.00 0.00 0.00 179.01 179.01 1v8p h ALA 47 N 0.56 -0.74 -0.94 3.43 0.00 -0.32 -0.87 119.26 120.38 1v8p h ALA 47 Ca -0.06 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 54.96 1v8p h ALA 47 Cb 1.43 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1v8p h ALA 47 CO 0.16 -0.92 0.71 0.00 0.00 0.00 0.00 179.25 179.21 1v8p h ARG 48 N -0.74 0.00 -0.66 0.00 2.47 -0.69 0.35 114.38 115.11 1v8p h ARG 48 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1v8p h ARG 48 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1v8p h ARG 48 CO 0.12 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.93 1v8p n LEU 49 N -4.13 4.29 0.00 3.04 4.77 -0.62 -4.93 117.00 119.43 1v8p n LEU 49 Ca 0.20 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1v8p n LEU 49 Cb 1.04 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1v8p n LEU 49 CO 0.37 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1v8p n GLY 50 N 0.66 0.33 3.68 -0.72 0.00 0.11 -5.02 105.19 104.23 1v8p n GLY 50 Ca 0.21 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.72 1v8p n GLY 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v8p n ARG 51 N -1.66 1.84 -0.09 1.61 0.63 -0.43 -4.89 116.66 113.68 1v8p n ARG 51 Ca 0.00 0.67 -0.13 0.00 -0.92 0.00 0.00 57.85 57.47 1v8p n ARG 51 Cb 0.00 -2.45 -0.05 0.00 0.45 0.00 0.00 32.46 30.41 1v8p n ARG 51 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1v8p h VAL 52 N 5.02 1.30 -0.60 5.15 2.07 -1.92 -3.31 116.25 123.97 1v8p h VAL 52 Ca -0.47 -1.49 -0.21 0.00 0.82 0.00 0.00 66.70 65.34 1v8p h VAL 52 Cb 1.29 1.63 -0.13 0.00 -1.52 0.00 0.00 31.29 32.56 1v8p h VAL 52 CO 0.93 0.48 0.27 -0.90 0.02 0.00 0.00 177.57 178.37 1v8p n ASP 53 N -4.25 3.98 -0.30 0.57 3.85 -1.26 -4.68 116.55 114.46 1v8p n ASP 53 Ca -0.04 -2.97 0.08 0.00 -0.71 0.00 0.00 54.79 51.15 1v8p n ASP 53 Cb 0.49 -0.70 0.20 0.00 -1.35 0.00 0.00 41.12 39.75 1v8p n ASP 53 CO 0.00 0.00 0.00 4.11 -1.01 0.00 0.00 177.20 180.30 1v8p h TRP 54 N 1.73 -0.11 -0.41 2.11 5.08 -1.97 0.86 115.95 123.24 1v8p h TRP 54 Ca 0.26 0.06 0.00 0.00 1.08 0.00 0.00 58.89 60.30 1v8p h TRP 54 Cb 2.04 0.18 -0.02 0.00 -3.00 0.00 0.00 29.16 28.36 1v8p h TRP 54 CO 1.02 -0.32 0.26 0.00 -1.28 0.00 0.00 178.44 178.11 1v8p h ALA 55 N 1.83 0.52 -0.53 0.11 0.00 -1.92 0.28 119.26 119.54 1v8p h ALA 55 Ca 0.48 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1v8p h ALA 55 Cb 0.88 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1v8p h ALA 55 CO -0.79 -0.00 0.10 0.00 0.00 0.00 0.00 179.25 178.56 1v8p h ALA 56 N 1.13 0.71 -0.72 0.00 0.00 -1.56 -2.77 119.26 116.04 1v8p h ALA 56 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1v8p h ALA 56 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1v8p h ALA 56 CO -0.03 0.44 0.38 0.00 0.00 0.00 0.00 179.25 180.04 1v8p h ALA 57 N 0.99 0.93 0.00 0.00 0.00 -0.52 -2.35 119.26 118.31 1v8p h ALA 57 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1v8p h ALA 57 Cb 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1v8p h ALA 57 CO 0.01 0.46 -0.05 0.66 0.00 0.00 0.00 179.25 180.33 1v8p h SER 58 N 1.00 0.00 -0.07 0.00 4.64 -0.19 0.23 113.55 119.16 1v8p h SER 58 Ca 0.25 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.37 1v8p h SER 58 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1v8p h SER 58 CO -0.04 0.05 -0.69 0.03 -0.87 0.00 0.00 176.83 175.30 1v8p h ARG 59 N 0.00 0.70 -0.39 4.77 3.08 -1.22 -1.72 114.38 119.61 1v8p h ARG 59 Ca -0.00 -0.53 -0.09 0.00 0.07 0.00 0.00 59.98 59.44 1v8p h ARG 59 Cb 0.08 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1v8p h ARG 59 CO 0.01 1.14 -0.09 1.25 -1.07 0.00 0.00 179.97 181.21 1v8p h HIS 60 N 0.50 0.84 -0.67 3.04 2.76 -1.09 -1.24 115.15 119.28 1v8p h HIS 60 Ca -0.03 -0.18 0.01 0.00 -2.20 0.00 0.00 60.37 57.97 1v8p h HIS 60 Cb 1.30 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.02 1v8p h HIS 60 CO 0.07 0.88 0.44 1.25 -1.30 0.00 0.00 177.93 179.28 1v8p h LEU 61 N 0.56 0.77 -0.65 0.26 6.46 -0.91 0.10 115.31 121.91 1v8p h LEU 61 Ca 0.10 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1v8p h LEU 61 Cb 0.61 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1v8p h LEU 61 CO 0.04 0.56 0.33 0.50 -0.62 0.00 0.00 178.44 179.25 1v8p h LYS 62 N 0.91 0.92 0.72 1.25 3.64 -1.16 0.16 116.57 123.00 1v8p h LYS 62 Ca 0.25 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1v8p h LYS 62 Cb -0.10 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1v8p h LYS 62 CO -0.05 0.72 -0.45 0.87 -2.27 0.00 0.00 179.45 178.27 1v8p h LYS 63 N 0.89 -1.06 -0.26 1.90 1.57 -0.38 -0.66 116.57 118.57 1v8p h LYS 63 Ca 0.22 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1v8p h LYS 63 Cb 0.09 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 1v8p h LYS 63 CO -0.03 -0.71 -0.47 0.28 -0.57 0.00 0.00 179.45 177.95 1v8p h VAL 64 N -1.10 0.08 -0.93 0.50 2.07 -0.58 -1.57 116.25 114.72 1v8p h VAL 64 Ca -0.09 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.61 1v8p h VAL 64 Cb 0.89 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1v8p h VAL 64 CO 0.09 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.21 1v8p h LEU 65 N -0.45 0.59 -1.77 2.57 3.38 -0.53 -0.20 115.31 118.90 1v8p h LEU 65 Ca 0.09 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1v8p h LEU 65 Cb 0.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1v8p h LEU 65 CO -0.49 0.25 0.00 0.77 0.09 0.00 0.00 178.44 179.06 1v8p h SER 66 N 0.60 0.00 0.83 -0.43 4.64 -0.07 -2.34 113.55 116.77 1v8p h SER 66 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1v8p h SER 66 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1v8p h SER 66 CO -0.24 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.00 1v8p h SER 67 N 0.00 0.00 -2.95 4.97 0.02 -0.89 -3.45 113.55 111.25 1v8p h SER 67 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1v8p h SER 67 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1v8p h SER 67 CO 0.00 0.00 -0.32 -0.36 -1.14 0.00 0.00 176.83 175.01 1v8p s PHE 68 N -3.41 3.48 -0.01 3.45 0.40 -0.88 -4.82 117.98 116.19 1v8p s PHE 68 Ca 0.03 0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 56.55 1v8p s PHE 68 Cb 0.09 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.67 1v8p s PHE 68 CO 0.44 0.39 0.66 0.21 0.70 0.00 0.00 175.22 177.62 1v8p s LYS 69 N -3.13 4.39 -0.28 0.44 2.36 -1.09 -4.91 119.74 117.52 1v8p s LYS 69 Ca 0.39 0.85 -0.10 0.00 -2.55 0.00 0.00 55.97 54.56 1v8p s LYS 69 Cb -0.11 -3.37 -0.04 0.00 -1.05 0.00 0.00 37.83 33.25 1v8p s LYS 69 CO 0.28 0.27 0.17 0.08 1.55 0.00 0.00 175.35 177.70 1v8p s VAL 70 N 0.10 5.07 0.65 4.02 1.01 -1.26 -0.81 120.40 129.18 1v8p s VAL 70 Ca 0.34 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1v8p s VAL 70 Cb -0.19 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1v8p s VAL 70 CO 0.19 0.23 1.05 -0.76 0.00 0.00 0.00 175.10 175.81 1v8p s LEU 71 N 1.72 3.09 0.68 3.92 1.43 -0.21 -4.95 118.68 124.36 1v8p s LEU 71 Ca 0.07 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.25 1v8p s LEU 71 Cb -0.16 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 41.94 1v8p s LEU 71 CO 0.09 -1.10 1.10 -1.61 0.23 0.00 0.00 176.35 175.06 1v8p s GLU 72 N -5.24 2.73 0.31 1.70 2.02 -1.26 -4.32 118.70 114.64 1v8p s GLU 72 Ca 0.56 1.29 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 1v8p s GLU 72 Cb -0.11 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 32.07 1v8p s GLU 72 CO 0.52 -1.29 1.30 -0.51 0.02 0.00 0.00 175.26 175.30 1v8p s ASP 73 N -2.87 6.80 0.69 -0.19 -0.00 -1.26 -4.94 116.67 114.90 1v8p s ASP 73 Ca 0.65 2.64 -0.12 0.00 -0.00 0.00 0.00 52.55 55.72 1v8p s ASP 73 Cb -0.19 -2.64 0.01 0.00 -0.00 0.00 0.00 42.92 40.10 1v8p s ASP 73 CO 0.45 -0.52 1.07 -2.84 -0.00 0.00 0.00 175.17 173.33 1v8p s PRO 74 N -1.55 2.87 0.11 8.23 0.02 -1.26 -4.98 135.00 138.45 1v8p s PRO 74 Ca 0.50 1.05 -0.31 0.00 0.02 0.00 0.00 61.00 62.26 1v8p s PRO 74 Cb -0.39 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.07 1v8p s PRO 74 CO 0.50 -1.16 1.42 -2.14 -0.33 0.00 0.00 177.00 175.30 1v8p s PRO 75 N -4.82 4.30 0.25 5.54 0.02 -1.26 -4.91 135.00 134.12 1v8p s PRO 75 Ca 0.60 2.12 -0.06 0.00 0.02 0.00 0.00 61.00 63.68 1v8p s PRO 75 Cb -0.15 -3.26 0.27 0.00 0.02 0.00 0.00 34.50 31.37 1v8p s PRO 75 CO 0.52 -0.48 1.91 1.25 -0.33 0.00 0.00 177.00 179.86 1v8p h LEU 76 N 6.94 1.12 -0.67 -5.54 6.46 -2.00 -2.59 115.31 119.03 1v8p h LEU 76 Ca -0.42 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.29 1v8p h LEU 76 Cb 1.21 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 1v8p h LEU 76 CO 0.88 0.84 0.44 -2.24 -0.62 0.00 0.00 178.44 177.74 1v8p h ASP 77 N 1.30 0.77 0.03 1.25 2.03 -2.00 -1.58 116.42 118.22 1v8p h ASP 77 Ca 0.34 -0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 56.62 1v8p h ASP 77 Cb -0.08 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.23 1v8p h ASP 77 CO -0.07 0.56 -0.01 -0.33 -1.03 0.00 0.00 179.24 178.36 1v8p h GLU 78 N 0.91 -0.04 0.73 4.15 4.39 -1.89 -2.41 114.58 120.42 1v8p h GLU 78 Ca 0.24 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 1v8p h GLU 78 Cb -0.10 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1v8p h GLU 78 CO -0.05 0.02 -0.35 0.28 -1.16 0.00 0.00 179.01 177.75 1v8p h VAL 79 N -0.09 0.26 -0.89 3.13 2.07 -1.34 -2.56 116.25 116.84 1v8p h VAL 79 Ca -0.00 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 67.67 1v8p h VAL 79 Cb 0.08 0.28 -0.16 0.00 -1.52 0.00 0.00 31.29 29.97 1v8p h VAL 79 CO 0.01 0.01 -0.09 0.25 0.02 0.00 0.00 177.57 177.76 1v8p h LEU 80 N -1.02 -0.61 -0.94 2.57 6.46 -1.29 0.66 115.31 121.14 1v8p h LEU 80 Ca -0.10 0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1v8p h LEU 80 Cb 0.76 0.48 -0.06 0.00 -0.73 0.00 0.00 40.66 41.12 1v8p h LEU 80 CO 0.16 -0.28 0.60 -0.09 -0.62 0.00 0.00 178.44 178.22 1v8p h ARG 81 N 0.03 1.10 -0.47 1.25 2.43 -1.20 0.93 114.38 118.45 1v8p h ARG 81 Ca 0.48 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.46 1v8p h ARG 81 Cb 0.84 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1v8p h ARG 81 CO -0.86 0.73 -0.19 0.28 -1.51 0.00 0.00 179.97 178.42 1v8p h VAL 82 N 1.13 1.27 0.16 0.20 2.07 0.62 0.79 116.25 122.49 1v8p h VAL 82 Ca 0.39 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1v8p h VAL 82 Cb 0.10 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1v8p h VAL 82 CO -0.15 0.46 -0.08 0.00 0.02 0.00 0.00 177.57 177.82 1v8p h ALA 83 N 0.97 -0.22 -0.35 1.67 0.00 -0.03 0.24 119.26 121.54 1v8p h ALA 83 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1v8p h ALA 83 Cb 0.74 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1v8p h ALA 83 CO 0.06 -0.57 0.16 0.28 0.00 0.00 0.00 179.25 179.18 1v8p h VAL 84 N -0.33 0.96 -0.35 0.00 2.07 -0.77 0.21 116.25 118.03 1v8p h VAL 84 Ca -0.02 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1v8p h VAL 84 Cb 0.26 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1v8p h VAL 84 CO 0.04 0.06 -0.23 -0.33 0.02 0.00 0.00 177.57 177.13 1v8p h GLU 85 N 0.33 0.69 -0.02 1.57 5.08 -0.65 -3.30 114.58 118.29 1v8p h GLU 85 Ca 0.15 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1v8p h GLU 85 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1v8p h GLU 85 CO -0.12 0.86 -0.29 0.54 -1.00 0.00 0.00 179.01 179.01 1v8p n ARG 86 N -4.12 1.57 -2.74 2.33 1.74 0.83 -4.98 116.66 111.30 1v8p n ARG 86 Ca 0.00 -1.17 -0.08 0.00 -0.77 0.00 0.00 57.85 55.83 1v8p n ARG 86 Cb 0.42 -1.39 0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1v8p n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8p n GLY 87 N 1.26 0.24 3.35 -0.13 0.00 0.66 -5.04 105.19 105.53 1v8p n GLY 87 Ca 0.09 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1v8p n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8p s LEU 88 N -3.61 2.38 0.93 0.99 1.43 -0.78 -5.06 118.68 114.97 1v8p s LEU 88 Ca 0.11 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1v8p s LEU 88 Cb -0.05 -0.98 0.15 0.00 0.03 0.00 0.00 46.19 45.34 1v8p s LEU 88 CO 0.29 0.06 1.09 0.42 0.23 0.00 0.00 176.35 178.44 1v8p s THR 89 N -1.55 2.52 0.23 5.49 -4.23 -1.26 -4.46 115.64 112.37 1v8p s THR 89 Ca 0.14 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.74 1v8p s THR 89 Cb -0.08 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.40 1v8p s THR 89 CO 0.07 -0.22 1.88 0.15 -0.54 0.00 0.00 174.62 175.95 1v8p h PHE 90 N -1.72 1.01 -0.16 3.99 3.57 -1.95 -1.55 116.94 120.13 1v8p h PHE 90 Ca -0.50 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.06 1v8p h PHE 90 Cb 1.29 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1v8p h PHE 90 CO 0.41 0.60 -0.07 1.88 -2.23 0.00 0.00 178.31 178.90 1v8p h TYR 91 N 1.06 -0.16 -0.26 0.41 0.05 -2.00 -2.23 116.97 113.85 1v8p h TYR 91 Ca 0.33 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 59.00 1v8p h TYR 91 Cb -0.02 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1v8p h TYR 91 CO -0.02 -0.11 -0.36 -0.44 -1.05 0.00 0.00 178.16 176.18 1v8p h ASP 92 N -0.05 0.60 -0.55 3.88 3.45 -1.86 -3.05 116.42 118.85 1v8p h ASP 92 Ca 0.09 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 1v8p h ASP 92 Cb 0.18 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 1v8p h ASP 92 CO -0.19 0.91 0.28 0.00 -1.57 0.00 0.00 179.24 178.66 1v8p h ALA 93 N 1.12 1.38 -0.51 3.45 0.00 -1.04 -2.47 119.26 121.19 1v8p h ALA 93 Ca 0.05 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1v8p h ALA 93 Cb 0.85 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1v8p h ALA 93 CO 0.07 0.48 -0.08 0.77 0.00 0.00 0.00 179.25 180.50 1v8p h SER 94 N 0.83 -0.38 -0.22 0.00 0.02 -1.29 0.80 113.55 113.32 1v8p h SER 94 Ca 0.20 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1v8p h SER 94 Cb 0.10 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1v8p h SER 94 CO -0.03 -0.14 -0.01 1.88 -1.14 0.00 0.00 176.83 177.39 1v8p h TYR 95 N 0.04 0.43 -0.50 3.45 -1.99 -1.56 0.57 116.97 117.42 1v8p h TYR 95 Ca 0.25 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.90 1v8p h TYR 95 Cb 0.39 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 1v8p h TYR 95 CO -0.39 0.59 0.31 0.00 -0.00 0.00 0.00 178.16 178.67 1v8p h ALA 96 N 0.78 0.63 0.42 3.88 0.00 -1.00 -0.11 119.26 123.86 1v8p h ALA 96 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1v8p h ALA 96 Cb 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1v8p h ALA 96 CO 0.01 0.11 -0.20 -0.92 0.00 0.00 0.00 179.25 178.25 1v8p h TYR 97 N 0.67 -0.52 -0.94 0.00 3.20 0.73 -2.03 116.97 118.08 1v8p h TYR 97 Ca 0.18 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1v8p h TYR 97 Cb -0.03 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 1v8p h TYR 97 CO -0.03 -0.32 0.56 0.28 -1.64 0.00 0.00 178.16 177.01 1v8p h VAL 98 N -0.57 1.26 0.20 1.81 2.07 -0.75 0.12 116.25 120.39 1v8p h VAL 98 Ca -0.06 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1v8p h VAL 98 Cb 0.43 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1v8p h VAL 98 CO 0.09 0.28 -0.10 0.00 0.02 0.00 0.00 177.57 177.86 1v8p h ALA 99 N 1.31 -0.27 -0.05 1.67 0.00 -0.89 -0.97 119.26 120.05 1v8p h ALA 99 Ca 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1v8p h ALA 99 Cb -0.04 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1v8p h ALA 99 CO -0.06 -0.62 -0.03 0.93 0.00 0.00 0.00 179.25 179.47 1v8p h GLU 100 N -0.34 0.11 -0.57 0.00 5.08 -1.28 0.31 114.58 117.91 1v8p h GLU 100 Ca -0.03 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1v8p h GLU 100 Cb 0.26 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 1v8p h GLU 100 CO 0.05 0.52 0.06 0.77 -1.00 0.00 0.00 179.01 179.41 1v8p h SER 101 N -0.29 -0.12 -0.31 1.42 0.02 -0.99 -2.47 113.55 110.81 1v8p h SER 101 Ca 0.01 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1v8p h SER 101 Cb 0.49 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1v8p h SER 101 CO 0.01 -0.04 0.00 -1.20 -1.14 0.00 0.00 176.83 174.46 1v8p n SER 102 N -5.19 2.33 -2.28 3.07 7.64 -0.37 -3.10 113.62 115.72 1v8p n SER 102 Ca 0.08 -1.87 -0.16 0.00 1.01 0.00 0.00 58.87 57.94 1v8p n SER 102 Cb 0.31 -0.20 0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1v8p n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v8p n GLY 103 N 1.25 -0.12 3.78 0.23 0.00 -0.49 -4.75 105.19 105.08 1v8p n GLY 103 Ca 0.17 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1v8p n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8p s LEU 104 N -4.90 3.60 -0.41 0.99 1.43 0.98 -5.01 118.68 115.35 1v8p s LEU 104 Ca 0.26 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 1v8p s LEU 104 Cb -0.12 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1v8p s LEU 104 CO 0.32 -0.09 0.48 -0.69 0.23 0.00 0.00 176.35 176.60 1v8p s VAL 105 N -2.22 5.04 -0.08 -1.59 1.01 -0.89 -4.52 120.40 117.14 1v8p s VAL 105 Ca 0.34 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1v8p s VAL 105 Cb -0.07 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1v8p s VAL 105 CO 0.24 -0.40 1.34 -0.22 0.00 0.00 0.00 175.10 176.06 1v8p s LEU 106 N 2.29 4.26 -0.25 3.92 0.20 -1.26 -1.97 118.68 125.86 1v8p s LEU 106 Ca 0.15 1.91 -0.11 0.00 0.69 0.00 0.00 54.13 56.76 1v8p s LEU 106 Cb -0.16 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.00 1v8p s LEU 106 CO 0.14 -0.74 0.20 -0.69 -0.29 0.00 0.00 176.35 174.98 1v8p s VAL 107 N 3.02 5.32 0.09 1.68 1.01 0.18 -1.25 120.40 130.44 1v8p s VAL 107 Ca 0.60 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 1v8p s VAL 107 Cb -0.26 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1v8p s VAL 107 CO 0.21 0.29 0.35 0.28 0.00 0.00 0.00 175.10 176.23 1v8p s THR 108 N 1.42 0.08 -1.97 3.92 -1.32 -0.64 -2.21 115.64 114.92 1v8p s THR 108 Ca 0.09 -0.68 0.18 0.00 -1.21 0.00 0.00 61.69 60.07 1v8p s THR 108 Cb -0.15 -1.11 0.08 0.00 -1.51 0.00 0.00 72.50 69.82 1v8p s THR 108 CO 0.08 -0.37 1.00 1.67 -2.21 0.00 0.00 174.62 174.78 1v8p n GLN 109 N 0.11 1.55 -2.69 7.08 -0.06 -1.26 -4.02 117.38 118.09 1v8p n GLN 109 Ca -0.17 -1.27 -0.43 0.00 -2.00 0.00 0.00 57.00 53.14 1v8p n GLN 109 Cb 0.62 -1.33 -0.03 0.00 -4.06 0.00 0.00 30.24 25.44 1v8p n GLN 109 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1v8p s ASP 110 N -1.71 6.43 0.45 1.69 -1.08 -1.26 -4.91 116.67 116.27 1v8p s ASP 110 Ca 0.18 -0.01 0.26 0.00 -0.52 0.00 0.00 52.55 52.46 1v8p s ASP 110 Cb 0.15 -2.51 1.30 0.00 -1.46 0.00 0.00 42.92 40.40 1v8p s ASP 110 CO 0.31 -1.35 1.74 0.03 0.52 0.00 0.00 175.17 176.42 1v8p h ARG 111 N 9.41 0.21 0.07 4.34 2.47 -1.98 0.14 114.38 129.04 1v8p h ARG 111 Ca -0.25 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1v8p h ARG 111 Cb 1.06 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1v8p h ARG 111 CO 1.14 0.14 -0.03 1.49 0.56 0.00 0.00 179.97 183.26 1v8p h GLU 112 N 0.22 -0.09 0.00 0.04 4.57 -1.98 -1.90 114.58 115.43 1v8p h GLU 112 Ca 0.65 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.82 1v8p h GLU 112 Cb 2.01 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.62 1v8p h GLU 112 CO -0.25 0.38 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.80 1v8p h LEU 113 N -0.61 0.00 -0.52 1.64 3.38 -1.67 -0.44 115.31 117.09 1v8p h LEU 113 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1v8p h LEU 113 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1v8p h LEU 113 CO 0.02 0.09 -0.59 -0.07 0.09 0.00 0.00 178.44 177.97 1v8p h LEU 114 N 0.00 0.55 0.00 1.67 3.38 -0.85 -2.24 115.31 117.82 1v8p h LEU 114 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1v8p h LEU 114 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1v8p h LEU 114 CO 0.01 1.01 -0.54 0.00 0.09 0.00 0.00 178.44 179.02 1v8p n ALA 115 N -2.51 3.26 0.24 1.53 0.00 -0.65 -4.13 120.51 118.24 1v8p n ALA 115 Ca -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1v8p n ALA 115 Cb 0.62 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.96 1v8p n ALA 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v8p n LYS 116 N -1.73 0.44 -4.52 0.00 5.02 -0.27 -4.94 118.16 112.17 1v8p n LYS 116 Ca 0.05 -1.07 -0.32 0.00 -2.02 0.00 0.00 58.31 54.94 1v8p n LYS 116 Cb 0.38 -1.14 -0.16 0.00 -0.02 0.00 0.00 35.03 34.08 1v8p n LYS 116 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v8p s THR 117 N -0.66 2.01 0.17 -0.18 2.01 -0.85 -5.03 115.64 113.10 1v8p s THR 117 Ca 0.09 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 1v8p s THR 117 Cb 0.06 -1.79 -0.09 0.00 0.01 0.00 0.00 72.50 70.69 1v8p s THR 117 CO 0.09 0.54 1.43 -0.54 -0.69 0.00 0.00 174.62 175.45 1v8p s LYS 118 N 0.95 4.29 -0.24 4.92 1.02 -1.26 -2.65 119.74 126.76 1v8p s LYS 118 Ca -0.04 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.14 1v8p s LYS 118 Cb -0.15 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1v8p s LYS 118 CO -0.05 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 1v8p n GLY 119 N 3.16 0.55 3.79 -3.33 0.00 -1.26 -4.79 105.19 103.30 1v8p n GLY 119 Ca 0.10 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1v8p n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8p s ALA 120 N -1.94 3.05 0.11 4.61 0.00 -1.09 -4.26 121.76 122.24 1v8p s ALA 120 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1v8p s ALA 120 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1v8p s ALA 120 CO 0.00 -0.10 0.03 0.96 0.00 0.00 0.00 175.76 176.66 1v8p s ILE 121 N -1.83 0.14 0.66 0.00 -4.36 -0.38 -4.97 121.20 110.46 1v8p s ILE 121 Ca 0.59 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 59.11 1v8p s ILE 121 Cb -0.17 -1.88 0.09 0.00 1.25 0.00 0.00 42.46 41.74 1v8p s ILE 121 CO 0.22 -0.62 0.92 1.51 0.24 0.00 0.00 174.94 177.21 1v8p s ASP 122 N -3.01 4.72 0.19 4.36 1.47 -1.26 -1.62 116.67 121.52 1v8p s ASP 122 Ca 0.19 -0.15 -0.13 0.00 1.18 0.00 0.00 52.55 53.64 1v8p s ASP 122 Cb 0.08 -0.44 0.11 0.00 -0.34 0.00 0.00 42.92 42.33 1v8p s ASP 122 CO -0.02 -1.58 1.84 0.58 0.68 0.00 0.00 175.17 176.67 1v8p h VAL 123 N -0.33 1.11 -0.68 2.11 2.07 -1.94 -1.63 116.25 116.96 1v8p h VAL 123 Ca -0.39 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 66.96 1v8p h VAL 123 Cb 1.28 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1v8p h VAL 123 CO 0.46 0.14 0.31 -0.08 0.02 0.00 0.00 177.57 178.42 1v8p h GLU 124 N 0.75 0.52 -0.42 1.57 4.81 -1.95 -1.14 114.58 118.72 1v8p h GLU 124 Ca 0.23 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1v8p h GLU 124 Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1v8p h GLU 124 CO -0.07 0.34 -0.11 1.15 -0.73 0.00 0.00 179.01 179.59 1v8p h THR 125 N 0.53 1.27 -0.92 0.32 2.02 -1.79 -2.82 112.91 111.52 1v8p h THR 125 Ca 0.34 -1.21 0.09 0.00 0.77 0.00 0.00 66.41 66.40 1v8p h THR 125 Cb 0.38 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 1v8p h THR 125 CO -0.28 0.41 0.57 0.25 0.37 0.00 0.00 175.52 176.84 1v8p h LEU 126 N 0.64 0.87 -0.74 2.58 5.85 -0.41 -2.09 115.31 122.01 1v8p h LEU 126 Ca 0.11 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1v8p h LEU 126 Cb 0.64 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1v8p h LEU 126 CO 0.04 0.51 0.14 -0.07 -0.34 0.00 0.00 178.44 178.72 1v8p h LEU 127 N 0.98 1.05 -0.57 2.25 3.38 -1.04 -2.11 115.31 119.24 1v8p h LEU 127 Ca 0.43 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1v8p h LEU 127 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1v8p h LEU 127 CO -0.22 1.02 -0.12 -0.37 0.09 0.00 0.00 178.44 178.85 1v8p h VAL 128 N 1.04 1.27 -0.12 1.22 -1.51 -1.16 0.79 116.25 117.79 1v8p h VAL 128 Ca 0.21 -1.27 -0.03 0.00 -1.23 0.00 0.00 66.70 64.38 1v8p h VAL 128 Cb 0.40 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1v8p h VAL 128 CO 0.01 0.45 -0.07 0.03 -1.23 0.00 0.00 177.57 176.76 1v8p h ARG 129 N 0.90 0.17 0.00 5.19 3.08 -1.26 -1.30 114.38 121.16 1v8p h ARG 129 Ca 0.14 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 1v8p h ARG 129 Cb 0.68 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1v8p h ARG 129 CO 0.05 0.25 -0.87 -0.07 -1.07 0.00 0.00 179.97 178.26 1v8p h LEU 130 N 0.17 0.00 -1.52 3.04 3.38 -0.96 -3.17 115.31 116.24 1v8p h LEU 130 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1v8p h LEU 130 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1v8p h LEU 130 CO 0.01 0.77 -0.22 0.00 0.09 0.00 0.00 178.44 179.09 1v8p h ALA 131 N 1.23 1.24 -0.98 1.53 0.00 0.28 -1.94 119.26 120.62 1v8p h ALA 131 Ca -0.04 -0.20 -0.61 0.00 0.00 0.00 0.00 54.91 54.06 1v8p h ALA 131 Cb 1.62 -0.04 -0.38 0.00 0.00 0.00 0.00 17.79 18.99 1v8p h ALA 131 CO 0.09 0.28 -0.18 0.00 0.00 0.00 0.00 179.25 179.44 1v8p n ALA 132 N -2.32 5.52 0.12 0.00 0.00 -0.86 -5.09 120.51 117.88 1v8p n ALA 132 Ca -0.01 -3.85 0.01 0.00 0.00 0.00 0.00 53.44 49.59 1v8p n ALA 132 Cb 0.34 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.90 1v8p n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44