#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnv n THR 2 N 0.00 2.68 -2.61 1.12 5.66 -1.26 -5.00 114.28 114.87 1nnv n THR 2 Ca 0.00 -2.07 -0.03 0.00 -3.05 0.00 0.00 64.05 58.90 1nnv n THR 2 Cb 0.00 -0.33 -0.03 0.00 -1.55 0.00 0.00 70.33 68.42 1nnv n THR 2 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1nnv n THR 3 N -0.65-12.25 -0.04 1.09 -1.04 -1.26 -5.01 114.28 95.12 1nnv n THR 3 Ca 0.36 2.31 -0.05 0.00 -2.04 0.00 0.00 64.05 64.63 1nnv n THR 3 Cb 1.19 -6.64 -0.05 0.00 -1.82 0.00 0.00 70.33 63.01 1nnv n THR 3 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1nnv n GLU 4 N 1.22 1.57 -2.85 -2.82 0.28 -1.26 -5.00 120.64 111.77 1nnv n GLU 4 Ca -0.23 0.02 -0.40 0.00 -0.16 0.00 0.00 57.16 56.39 1nnv n GLU 4 Cb 0.36 -1.17 -0.05 0.00 1.43 0.00 0.00 31.44 32.01 1nnv n GLU 4 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1nnv s ILE 5 N -2.17 4.61 0.30 3.84 -1.09 -1.26 -4.91 121.20 120.53 1nnv s ILE 5 Ca -0.07 1.85 0.10 0.00 -2.23 0.00 0.00 60.65 60.30 1nnv s ILE 5 Cb 0.02 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1nnv s ILE 5 CO 0.24 0.34 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.52 1nnv s LYS 6 N -0.04 2.13 0.78 2.79 2.47 -1.26 -5.04 119.74 121.58 1nnv s LYS 6 Ca 0.43 -1.60 -0.03 0.00 -1.56 0.00 0.00 55.97 53.21 1nnv s LYS 6 Cb -0.22 -2.02 0.15 0.00 -1.46 0.00 0.00 37.83 34.28 1nnv s LYS 6 CO 0.26 0.26 1.07 0.15 0.16 0.00 0.00 175.35 177.26 1nnv s LYS 7 N -3.68 1.38 -0.02 4.03 1.02 -1.26 -4.42 119.74 116.79 1nnv s LYS 7 Ca 0.33 -1.06 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 1nnv s LYS 7 Cb -0.04 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1nnv s LYS 7 CO 0.19 -1.70 0.04 -0.51 -0.92 0.00 0.00 175.35 172.45 1nnv s LEU 8 N -5.31 3.74 0.47 3.17 1.43 -1.26 -5.06 118.68 115.86 1nnv s LEU 8 Ca 0.69 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.82 1nnv s LEU 8 Cb -0.04 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1nnv s LEU 8 CO 0.46 0.30 0.81 -1.81 0.23 0.00 0.00 176.35 176.35 1nnv s ASP 9 N -1.48 6.37 0.04 2.29 1.01 -1.26 -4.90 116.67 118.73 1nnv s ASP 9 Ca 0.20 1.08 -0.21 0.00 0.71 0.00 0.00 52.55 54.33 1nnv s ASP 9 Cb -0.12 -2.31 -0.11 0.00 1.01 0.00 0.00 42.92 41.40 1nnv s ASP 9 CO 0.10 -0.54 1.31 1.55 0.21 0.00 0.00 175.17 177.80 1nnv h PRO 10 N 0.58 -0.65 -0.45 8.23 0.13 -1.99 0.53 132.00 138.38 1nnv h PRO 10 Ca -0.47 0.04 0.06 0.00 -0.87 0.00 0.00 66.00 64.77 1nnv h PRO 10 Cb 1.20 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1nnv h PRO 10 CO 0.63 -0.43 0.31 0.22 -0.23 0.00 0.00 178.00 178.49 1nnv h ASP 11 N -0.67 0.30 0.09 1.44 1.82 -2.00 -1.16 116.42 116.23 1nnv h ASP 11 Ca -0.06 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.40 1nnv h ASP 11 Cb 0.54 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.48 1nnv h ASP 11 CO 0.06 0.20 -0.67 0.74 -1.61 0.00 0.00 179.24 177.96 1nnv h THR 12 N 0.34 1.34 0.00 2.25 2.02 -1.90 -2.57 112.91 114.39 1nnv h THR 12 Ca 0.20 -1.97 -0.04 0.00 0.77 0.00 0.00 66.41 65.37 1nnv h THR 12 Cb 0.35 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1nnv h THR 12 CO -0.05 0.61 -0.17 0.00 0.37 0.00 0.00 175.52 176.28 1nnv h ALA 13 N 0.87 1.39 0.00 6.16 0.00 0.13 -2.60 119.26 125.23 1nnv h ALA 13 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nnv h ALA 13 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nnv h ALA 13 CO 0.12 0.21 -0.01 0.82 0.00 0.00 0.00 179.25 180.40 1nnv h ILE 14 N 0.00 0.00 -1.23 0.00 2.04 -1.34 -2.82 117.51 114.17 1nnv h ILE 14 Ca -0.00 -0.79 0.35 0.00 1.00 0.00 0.00 64.86 65.42 1nnv h ILE 14 Cb 0.38 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 1nnv h ILE 14 CO 0.02 0.00 0.85 0.44 0.00 0.00 0.00 178.15 179.46 1nnv h ASP 15 N -0.79 0.15 0.01 1.72 5.19 -1.49 0.99 116.42 122.20 1nnv h ASP 15 Ca 0.00 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.39 1nnv h ASP 15 Cb 0.01 0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.54 1nnv h ASP 15 CO 0.00 0.00 -0.23 0.16 -3.12 0.00 0.00 179.24 176.06 1nnv h ILE 16 N 0.12 1.60 -0.38 0.35 -0.00 -1.59 -2.84 117.51 114.76 1nnv h ILE 16 Ca 0.63 -2.05 -0.08 0.00 -0.00 0.00 0.00 64.86 63.37 1nnv h ILE 16 Cb 2.22 2.93 -0.02 0.00 -0.00 0.00 0.00 36.82 41.95 1nnv h ILE 16 CO -0.14 0.56 -0.08 0.00 -0.00 0.00 0.00 178.15 178.49 1nnv h ALA 17 N 0.19 1.15 -0.65 0.16 0.00 -0.60 -2.36 119.26 117.15 1nnv h ALA 17 Ca -0.03 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1nnv h ALA 17 Cb 1.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1nnv h ALA 17 CO 0.04 0.54 0.40 -0.92 0.00 0.00 0.00 179.25 179.31 1nnv h TYR 18 N 0.60 0.74 0.00 0.00 5.03 0.82 0.26 116.97 124.43 1nnv h TYR 18 Ca 0.11 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 1nnv h TYR 18 Cb 0.49 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1nnv h TYR 18 CO 0.02 0.42 -0.24 -0.44 -1.32 0.00 0.00 178.16 176.60 1nnv h ASP 19 N 0.78 0.00 0.85 -2.11 5.19 -1.21 -1.66 116.42 118.25 1nnv h ASP 19 Ca 0.26 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.55 1nnv h ASP 19 Cb 0.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1nnv h ASP 19 CO -0.11 0.24 -0.58 0.40 -3.12 0.00 0.00 179.24 176.07 1nnv h ILE 20 N 0.00 1.23 -0.18 0.35 2.04 -0.52 -1.68 117.51 118.75 1nnv h ILE 20 Ca -0.00 -2.12 -0.06 0.00 1.00 0.00 0.00 64.86 63.68 1nnv h ILE 20 Cb 0.49 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1nnv h ILE 20 CO 0.03 0.57 -0.12 0.15 0.00 0.00 0.00 178.15 178.78 1nnv h PHE 21 N 0.00 0.46 -0.00 1.37 3.57 -0.10 -0.98 116.94 121.26 1nnv h PHE 21 Ca -0.01 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1nnv h PHE 21 Cb 1.16 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1nnv h PHE 21 CO 0.00 0.73 -0.00 1.28 -2.23 0.00 0.00 178.31 178.09 1nnv n LEU 22 N -4.56 0.00 -0.10 0.59 7.99 -1.03 -2.00 117.00 117.90 1nnv n LEU 22 Ca -0.05 0.15 -0.13 0.00 -0.01 0.00 0.00 56.01 55.96 1nnv n LEU 22 Cb 0.34 -0.15 -0.05 0.00 -0.11 0.00 0.00 43.42 43.45 1nnv n LEU 22 CO 0.39 0.00 -0.71 -0.62 -1.51 0.00 0.00 177.39 174.95 1nnv n GLU 23 N -1.15 0.52 -0.04 3.23 -0.58 -0.64 -4.73 120.64 117.26 1nnv n GLU 23 Ca 0.19 0.36 -0.10 0.00 -0.42 0.00 0.00 57.16 57.20 1nnv n GLU 23 Cb 0.18 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.34 1nnv n GLU 23 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1nnv n MET 24 N -4.46 0.65 -1.68 3.49 2.81 -0.40 -4.92 117.12 112.61 1nnv n MET 24 Ca -0.22 0.24 -0.48 0.00 -1.81 0.00 0.00 57.70 55.42 1nnv n MET 24 Cb 0.54 -1.73 -0.05 0.00 -0.71 0.00 0.00 33.22 31.26 1nnv n MET 24 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nnv n ALA 25 N -2.62 0.90 0.00 3.04 0.00 -0.85 -3.59 120.51 117.39 1nnv n ALA 25 Ca -0.21 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1nnv n ALA 25 Cb 1.07 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1nnv n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnv n GLY 26 N 4.09 1.40 0.00 0.00 0.00 -1.26 -4.90 105.19 104.52 1nnv n GLY 26 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1nnv n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nnv n GLU 27 N -0.06 0.00 -0.02 1.61 1.02 -1.24 -4.98 120.64 116.97 1nnv n GLU 27 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1nnv n GLU 27 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1nnv n GLU 27 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1nnv n ASN 28 N -0.62 3.85 -4.68 1.62 5.15 -1.26 -5.00 115.26 114.32 1nnv n ASN 28 Ca 0.00 -0.01 -0.43 0.00 -0.60 0.00 0.00 54.58 53.54 1nnv n ASN 28 Cb 0.00 0.26 -0.02 0.00 -0.53 0.00 0.00 39.78 39.49 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1nnv s LEU 29 N -4.77 4.22 0.36 1.20 0.20 -1.26 -4.96 118.68 113.66 1nnv s LEU 29 Ca -0.04 1.50 -0.13 0.00 0.69 0.00 0.00 54.13 56.15 1nnv s LEU 29 Cb 0.01 -3.55 -0.11 0.00 -0.43 0.00 0.00 46.19 42.12 1nnv s LEU 29 CO 0.13 -0.49 -0.09 0.47 -0.29 0.00 0.00 176.35 176.08 1nnv n ASP 30 N 5.27 -2.61 -0.01 3.68 9.92 -1.24 -4.64 116.55 126.92 1nnv n ASP 30 Ca 0.09 0.46 0.01 0.00 -0.53 0.00 0.00 54.79 54.83 1nnv n ASP 30 Cb 0.48 -0.60 0.33 0.00 -0.64 0.00 0.00 41.12 40.69 1nnv n ASP 30 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nnv h PRO 31 N -0.01 0.55 0.18 -0.24 0.13 -1.94 -3.17 132.00 127.50 1nnv h PRO 31 Ca -0.29 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1nnv h PRO 31 Cb 1.03 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1nnv h PRO 31 CO 0.30 0.51 -0.44 0.00 -0.23 0.00 0.00 178.00 178.13 1nnv h ALA 32 N 1.57 -0.84 0.00 -0.56 0.00 -1.96 -0.27 119.26 117.20 1nnv h ALA 32 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nnv h ALA 32 Cb 0.21 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nnv h ALA 32 CO -0.00 -1.03 0.00 -0.44 0.00 0.00 0.00 179.25 177.77 1nnv h ASP 33 N -0.72 0.00 0.04 0.00 5.19 -1.89 -2.45 116.42 116.59 1nnv h ASP 33 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nnv h ASP 33 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1nnv h ASP 33 CO -0.22 0.00 -0.02 0.40 -3.12 0.00 0.00 179.24 176.28 1nnv h ILE 34 N 0.00 1.33 -0.15 0.35 2.04 -1.08 -1.38 117.51 118.62 1nnv h ILE 34 Ca 0.00 -1.61 0.05 0.00 1.00 0.00 0.00 64.86 64.29 1nnv h ILE 34 Cb 0.06 2.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 1nnv h ILE 34 CO 0.00 0.38 -0.15 0.25 0.00 0.00 0.00 178.15 178.63 1nnv h LEU 35 N -0.82 -0.48 0.19 1.44 6.46 -0.74 -1.56 115.31 119.80 1nnv h LEU 35 Ca -0.01 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1nnv h LEU 35 Cb 0.67 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1nnv h LEU 35 CO 0.01 -0.20 -0.09 0.25 -0.62 0.00 0.00 178.44 177.79 1nnv h LEU 36 N -0.18 -0.22 -1.87 2.25 5.85 -1.60 -2.09 115.31 117.45 1nnv h LEU 36 Ca 0.10 -0.05 0.34 0.00 0.84 0.00 0.00 57.88 59.12 1nnv h LEU 36 Cb 0.33 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1nnv h LEU 36 CO -0.26 -0.09 0.94 0.15 -0.34 0.00 0.00 178.44 178.84 1nnv h PHE 37 N -0.33 0.00 0.00 1.25 3.57 -0.87 0.21 116.94 120.77 1nnv h PHE 37 Ca -0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1nnv h PHE 37 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1nnv h PHE 37 CO -0.04 0.00 -0.00 -0.91 -2.23 0.00 0.00 178.31 175.12 1nnv h ASN 38 N 0.00 0.00 -1.34 0.41 4.21 -0.60 -2.94 115.58 115.31 1nnv h ASN 38 Ca 0.56 -0.85 -0.69 0.00 1.21 0.00 0.00 56.30 56.53 1nnv h ASN 38 Cb 2.44 -0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 39.33 1nnv h ASN 38 CO -0.01 0.85 0.64 0.18 -1.29 0.00 0.00 177.43 177.81 1nnv n LEU 39 N -4.68 7.14 0.00 1.61 7.99 0.35 -4.43 117.00 124.99 1nnv n LEU 39 Ca -0.10 -4.59 0.00 0.00 -0.01 0.00 0.00 56.01 51.32 1nnv n LEU 39 Cb 0.41 -0.90 0.00 0.00 -0.11 0.00 0.00 43.42 42.82 1nnv n LEU 39 CO 0.34 1.69 0.00 0.00 -1.51 0.00 0.00 177.39 177.91 1nnv n GLN 40 N -0.74 0.00 0.07 3.23 1.13 0.46 -4.87 117.38 116.65 1nnv n GLN 40 Ca 0.56 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.67 1nnv n GLN 40 Cb 0.55 -0.12 0.26 0.00 0.11 0.00 0.00 30.24 31.04 1nnv n GLN 40 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1nnv n PHE 41 N -1.97 0.31 -0.10 1.08 7.35 -1.11 0.43 117.46 123.45 1nnv n PHE 41 Ca 0.00 0.16 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 1nnv n PHE 41 Cb 0.00 -0.75 -0.01 0.00 0.35 0.00 0.00 39.48 39.06 1nnv n PHE 41 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1nnv h GLU 42 N 0.00 0.45 0.00 -4.13 4.57 -1.83 -2.98 114.58 110.67 1nnv h GLU 42 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1nnv h GLU 42 Cb 0.03 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1nnv h GLU 42 CO 0.00 0.33 -0.36 -1.91 -1.18 0.00 0.00 179.01 175.89 1nnv n GLU 43 N -4.83 4.56 -2.04 1.92 2.13 -0.95 -4.71 120.64 116.72 1nnv n GLU 43 Ca -0.01 -0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.55 1nnv n GLU 43 Cb 0.04 -0.69 0.02 0.00 0.27 0.00 0.00 31.44 31.09 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1nnv n ARG 44 N -1.18 3.51 -3.66 5.31 1.74 0.17 -4.72 116.66 117.83 1nnv n ARG 44 Ca 0.00 -4.14 -0.39 0.00 -0.77 0.00 0.00 57.85 52.54 1nnv n ARG 44 Cb 0.01 -2.28 -0.11 0.00 -1.02 0.00 0.00 32.46 29.06 1nnv n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1nnv s GLY 45 N -3.42 1.91 0.03 -0.13 0.00 -1.12 -2.70 107.32 101.89 1nnv s GLY 45 Ca 0.52 -1.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 1nnv s GLY 45 CO -0.01 0.85 0.06 -0.32 0.00 0.00 0.00 173.10 173.68 1nnv s GLY 46 N 1.62 0.22 -0.10 0.20 0.00 -1.26 -4.90 107.32 103.09 1nnv s GLY 46 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 44.72 44.08 1nnv s GLY 46 CO 0.04 -0.73 0.18 0.14 0.00 0.00 0.00 173.10 172.73 1nnv s VAL 47 N -2.43 -0.29 -0.06 1.40 1.01 -1.26 -3.07 120.40 115.70 1nnv s VAL 47 Ca -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1nnv s VAL 47 Cb -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1nnv s VAL 47 CO -0.04 0.11 0.12 -0.70 0.00 0.00 0.00 175.10 174.59 1nnv s GLU 48 N 2.32 3.29 0.00 2.72 2.56 -0.99 -4.92 118.70 123.69 1nnv s GLU 48 Ca 0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 54.97 54.53 1nnv s GLU 48 Cb -0.12 -3.04 -0.06 0.00 2.00 0.00 0.00 34.13 32.91 1nnv s GLU 48 CO -0.07 0.71 0.47 0.12 -0.56 0.00 0.00 175.26 175.94 1nnv s PHE 49 N -1.13 3.72 -0.11 5.30 5.36 -1.26 -1.68 117.98 128.18 1nnv s PHE 49 Ca 0.20 1.07 -0.13 0.00 -0.96 0.00 0.00 56.93 57.11 1nnv s PHE 49 Cb -0.12 -2.41 0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1nnv s PHE 49 CO 0.10 0.54 0.35 0.14 -1.46 0.00 0.00 175.22 174.90 1nnv s VAL 50 N -0.79 0.01 0.58 3.12 -7.23 0.78 -5.00 120.40 111.87 1nnv s VAL 50 Ca 0.26 -0.10 -0.10 0.00 -1.81 0.00 0.00 61.98 60.23 1nnv s VAL 50 Cb -0.17 -0.53 0.14 0.00 0.56 0.00 0.00 36.38 36.38 1nnv s VAL 50 CO 0.15 -0.05 0.55 -1.84 -0.31 0.00 0.00 175.10 173.60 1nnv n GLU 51 N 2.54 -1.85 -1.38 4.82 0.28 -1.26 0.57 120.64 124.36 1nnv n GLU 51 Ca -0.15 -0.88 -0.30 0.00 -0.16 0.00 0.00 57.16 55.68 1nnv n GLU 51 Cb 0.57 -0.78 0.12 0.00 1.43 0.00 0.00 31.44 32.78 1nnv n GLU 51 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1nnv s THR 52 N -2.03 2.84 0.00 3.84 2.01 -1.20 -4.11 115.64 116.99 1nnv s THR 52 Ca 0.35 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1nnv s THR 52 Cb -0.03 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1nnv s THR 52 CO 0.26 -0.35 0.00 0.00 -0.69 0.00 0.00 174.62 173.84 1nnv n ALA 53 N -3.67 0.00 -0.77 7.40 0.00 -1.26 -4.90 120.51 117.31 1nnv n ALA 53 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1nnv n ALA 53 Cb 0.56 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.13 1nnv n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nnv n ASP 54 N -0.23 4.35 -0.32 0.00 9.92 -1.26 -4.48 116.55 124.52 1nnv n ASP 54 Ca 0.00 -3.26 0.00 0.00 -0.53 0.00 0.00 54.79 51.00 1nnv n ASP 54 Cb 0.00 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 39.67 1nnv n ASP 54 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1nnv n ASP 55 N -0.65 -1.57 -2.87 -2.24 5.68 -1.26 -5.05 116.55 108.60 1nnv n ASP 55 Ca 0.46 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.63 1nnv n ASP 55 Cb 1.22 -0.51 0.03 0.00 -1.14 0.00 0.00 41.12 40.72 1nnv n ASP 55 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nnv n TRP 56 N 0.58 -0.48 -2.13 2.11 4.27 -1.26 -5.04 117.44 115.49 1nnv n TRP 56 Ca 0.00 -2.90 -0.32 0.00 -3.89 0.00 0.00 57.50 50.39 1nnv n TRP 56 Cb 0.00 0.28 -0.05 0.00 -1.36 0.00 0.00 31.31 30.18 1nnv n TRP 56 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1nnv n GLU 57 N 0.05 1.94 0.00 -2.67 1.02 -1.26 -3.80 120.64 115.92 1nnv n GLU 57 Ca 0.12 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 1nnv n GLU 57 Cb 0.75 -3.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.52 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 58 N 8.21 0.00 -0.09 3.49 1.02 -1.26 -4.83 120.64 127.18 1nnv n GLU 58 Ca 0.46 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.37 1nnv n GLU 58 Cb 0.46 -0.10 -0.12 0.00 -0.02 0.00 0.00 31.44 31.66 1nnv n GLU 58 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1nnv n GLU 59 N -1.84 0.60 0.10 3.49 0.28 -1.25 -4.27 120.64 117.75 1nnv n GLU 59 Ca 0.00 0.47 0.13 0.00 -0.16 0.00 0.00 57.16 57.60 1nnv n GLU 59 Cb 0.00 -1.70 0.42 0.00 1.43 0.00 0.00 31.44 31.59 1nnv n GLU 59 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1nnv n ILE 60 N -4.22 0.55 -3.08 3.84 -5.35 -1.26 -4.99 119.36 104.86 1nnv n ILE 60 Ca -0.36 -0.27 -0.14 0.00 -0.27 0.00 0.00 62.75 61.72 1nnv n ILE 60 Cb 0.78 -0.57 0.01 0.00 -1.74 0.00 0.00 39.64 38.12 1nnv n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nnv n GLY 61 N 1.32 -1.02 0.00 3.28 0.00 -1.26 -4.99 105.19 102.53 1nnv n GLY 61 Ca 0.06 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.13 1nnv n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nnv n VAL 62 N -0.72 0.00 -1.68 1.61 0.24 -1.26 -5.03 118.33 111.50 1nnv n VAL 62 Ca 0.03 0.00 -0.47 0.00 -2.04 0.00 0.00 64.34 61.86 1nnv n VAL 62 Cb 0.53 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.85 1nnv n VAL 62 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nnv n LEU 63 N 0.00 3.46 -4.89 1.34 4.32 -1.26 -4.45 117.00 115.53 1nnv n LEU 63 Ca 0.00 1.00 -0.34 0.00 -0.02 0.00 0.00 56.01 56.64 1nnv n LEU 63 Cb 0.00 -1.41 -0.05 0.00 -1.62 0.00 0.00 43.42 40.34 1nnv n LEU 63 CO 0.00 -0.07 -0.07 -0.63 -1.22 0.00 0.00 177.39 175.40 1nnv s ILE 64 N 3.23 5.31 -0.25 -0.08 -1.09 -1.26 -5.05 121.20 122.00 1nnv s ILE 64 Ca 0.88 0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 59.42 1nnv s ILE 64 Cb -0.65 -3.57 0.12 0.00 -1.58 0.00 0.00 42.46 36.78 1nnv s ILE 64 CO 0.46 0.35 0.27 -1.81 -1.23 0.00 0.00 174.94 172.99 1nnv s ASP 65 N -1.74 1.41 0.75 3.58 1.01 -1.26 -4.86 116.67 115.57 1nnv s ASP 65 Ca 0.28 -0.43 -0.14 0.00 0.71 0.00 0.00 52.55 52.97 1nnv s ASP 65 Cb -0.13 0.52 0.05 0.00 1.01 0.00 0.00 42.92 44.37 1nnv s ASP 65 CO 0.16 -0.35 1.17 -2.16 0.21 0.00 0.00 175.17 174.20 1nnv s PRO 66 N 2.37 2.08 0.00 8.23 0.04 -1.26 -3.01 135.00 143.45 1nnv s PRO 66 Ca 0.09 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1nnv s PRO 66 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1nnv s PRO 66 CO -0.23 -1.85 0.00 0.39 0.04 0.00 0.00 177.00 175.36 1nnv n GLU 67 N -2.97 0.00 -0.02 4.56 1.02 -1.26 -4.72 120.64 117.25 1nnv n GLU 67 Ca 0.12 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.29 1nnv n GLU 67 Cb 0.51 -1.25 0.04 0.00 -0.02 0.00 0.00 31.44 30.72 1nnv n GLU 67 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1nnv n GLU 68 N -2.00 0.49 -3.97 3.49 0.28 -1.16 -4.96 120.64 112.81 1nnv n GLU 68 Ca 0.00 -1.06 -0.12 0.00 -0.16 0.00 0.00 57.16 55.83 1nnv n GLU 68 Cb 0.00 -1.12 -0.13 0.00 1.43 0.00 0.00 31.44 31.62 1nnv n GLU 68 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1nnv s TYR 69 N -0.60 0.24 -0.22 -1.84 2.02 -1.25 -1.64 117.35 114.06 1nnv s TYR 69 Ca 0.08 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1nnv s TYR 69 Cb 0.05 -0.16 -0.01 0.00 -0.40 0.00 0.00 41.96 41.44 1nnv s TYR 69 CO 0.08 -0.08 -0.03 0.00 -1.57 0.00 0.00 175.55 173.95 1nnv s ALA 70 N -0.70 2.87 -0.12 3.71 0.00 -0.27 -3.24 121.76 124.01 1nnv s ALA 70 Ca -0.07 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 1nnv s ALA 70 Cb -0.05 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1nnv s ALA 70 CO -0.00 -0.43 0.43 -2.00 0.00 0.00 0.00 175.76 173.76 1nnv s GLU 71 N 1.48 4.29 -0.01 0.00 2.12 0.19 -1.80 118.70 124.97 1nnv s GLU 71 Ca 0.06 0.37 0.06 0.00 0.36 0.00 0.00 54.97 55.82 1nnv s GLU 71 Cb -0.14 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1nnv s GLU 71 CO -0.02 0.22 -0.20 0.08 -0.54 0.00 0.00 175.26 174.79 1nnv s VAL 72 N 0.46 2.56 -0.06 3.70 1.01 0.34 -0.16 120.40 128.26 1nnv s VAL 72 Ca 0.24 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1nnv s VAL 72 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1nnv s VAL 72 CO 0.09 0.52 -0.21 0.26 0.00 0.00 0.00 175.10 175.77 1nnv s TRP 73 N -0.73 2.55 -0.31 5.22 0.52 -0.68 0.33 118.94 125.85 1nnv s TRP 73 Ca 0.11 -0.53 0.02 0.00 0.02 0.00 0.00 56.10 55.72 1nnv s TRP 73 Cb -0.10 -1.63 0.09 0.00 -1.15 0.00 0.00 33.47 30.68 1nnv s TRP 73 CO 0.01 -0.09 0.04 0.08 0.02 0.00 0.00 176.95 177.01 1nnv s VAL 74 N -0.29 1.67 0.00 4.03 1.01 -0.14 -2.33 120.40 124.35 1nnv s VAL 74 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1nnv s VAL 74 Cb -0.13 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1nnv s VAL 74 CO 0.03 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1nnv n GLY 75 N 4.53 4.20 2.44 4.51 0.00 -1.18 0.12 105.19 119.81 1nnv n GLY 75 Ca -0.01 -1.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1nnv n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nnv s LEU 76 N 0.00 1.55 1.08 0.99 2.96 -1.04 -4.36 118.68 119.86 1nnv s LEU 76 Ca 0.00 -2.97 -0.13 0.00 -0.22 0.00 0.00 54.13 50.81 1nnv s LEU 76 Cb 0.00 -0.51 0.23 0.00 0.50 0.00 0.00 46.19 46.42 1nnv s LEU 76 CO 0.00 -0.19 1.07 0.68 -1.32 0.00 0.00 176.35 176.59 1nnv s VAL 77 N 0.14 1.97 0.00 1.68 -7.23 -1.10 -4.36 120.40 111.50 1nnv s VAL 77 Ca 0.30 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1nnv s VAL 77 Cb -0.01 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1nnv s VAL 77 CO -0.16 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.22 1nnv n ASN 78 N -4.49 1.53 0.20 4.85 3.02 -1.18 -4.18 115.26 115.01 1nnv n ASN 78 Ca 0.05 -0.51 0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1nnv n ASN 78 Cb 0.57 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 40.45 1nnv n ASN 78 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1nnv h GLU 79 N 0.00 0.00 0.00 3.52 4.39 -1.94 -3.34 114.58 117.21 1nnv h GLU 79 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nnv h GLU 79 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1nnv h GLU 79 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1nnv n GLN 80 N -2.50 0.00 0.00 2.33 10.64 -1.26 -5.05 117.38 121.54 1nnv n GLN 80 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1nnv n GLN 80 Cb 0.10 -0.13 0.00 0.00 -0.86 0.00 0.00 30.24 29.35 1nnv n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1nnv n ASP 81 N -0.36 0.00 -3.66 2.61 2.03 -1.25 -5.15 116.55 110.76 1nnv n ASP 81 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1nnv n ASP 81 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1nnv n ASP 81 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1nnv s GLU 82 N 0.00 0.19 0.39 -0.67 2.02 -1.26 -4.96 118.70 114.41 1nnv s GLU 82 Ca 0.00 0.81 0.20 0.00 0.02 0.00 0.00 54.97 56.00 1nnv s GLU 82 Cb 0.00 0.04 0.76 0.00 0.10 0.00 0.00 34.13 35.03 1nnv s GLU 82 CO 0.00 -0.27 1.77 0.00 0.02 0.00 0.00 175.26 176.77 1nnv h MET 83 N 8.23 0.00 0.00 1.61 -0.00 -1.90 -3.12 114.93 119.76 1nnv h MET 83 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 1nnv h MET 83 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 1nnv h MET 83 CO 0.14 0.33 0.00 -0.25 -0.00 0.00 0.00 176.91 177.13 1nnv n ASP 84 N -3.52 -2.61 0.00 -0.10 9.92 -1.26 -4.04 116.55 114.94 1nnv n ASP 84 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1nnv n ASP 84 Cb 0.48 -2.22 0.00 0.00 -0.64 0.00 0.00 41.12 38.74 1nnv n ASP 84 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nnv n ASP 85 N 0.21 0.00 -4.84 -2.24 8.00 -1.26 -5.07 116.55 111.35 1nnv n ASP 85 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 1nnv n ASP 85 Cb 0.22 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1nnv n ASP 85 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nnv s VAL 86 N 0.00 4.99 -0.07 2.53 0.11 -1.26 -2.50 120.40 124.19 1nnv s VAL 86 Ca 0.00 0.80 0.03 0.00 -2.93 0.00 0.00 61.98 59.88 1nnv s VAL 86 Cb 0.00 -3.72 -0.25 0.00 -1.53 0.00 0.00 36.38 30.88 1nnv s VAL 86 CO 0.00 0.48 0.56 -0.26 -3.33 0.00 0.00 175.10 172.55 1nnv h PHE 87 N 4.35 0.26 -2.48 1.54 0.04 0.66 -3.47 116.94 117.84 1nnv h PHE 87 Ca -0.51 -0.19 0.09 0.00 2.80 0.00 0.00 57.97 60.17 1nnv h PHE 87 Cb 1.21 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 39.22 1nnv h PHE 87 CO 0.69 1.38 0.42 0.00 -0.60 0.00 0.00 178.31 180.20 1nnv s ALA 88 N -2.58 -1.72 0.06 2.45 0.00 -1.00 -2.78 121.76 116.19 1nnv s ALA 88 Ca -0.13 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1nnv s ALA 88 Cb 0.07 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1nnv s ALA 88 CO 0.80 -0.78 -0.15 0.15 0.00 0.00 0.00 175.76 175.78 1nnv s LYS 89 N -3.32 0.93 -0.02 0.00 1.02 -1.03 -0.97 119.74 116.36 1nnv s LYS 89 Ca 0.05 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.17 1nnv s LYS 89 Cb -0.01 -0.98 -0.01 0.00 -0.52 0.00 0.00 37.83 36.31 1nnv s LYS 89 CO -0.07 0.23 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.38 1nnv s PHE 90 N -1.08 1.32 -0.07 3.18 0.40 0.15 -2.00 117.98 119.88 1nnv s PHE 90 Ca 0.01 -0.29 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 1nnv s PHE 90 Cb -0.09 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.56 1nnv s PHE 90 CO 0.02 -0.06 -0.24 -0.51 0.70 0.00 0.00 175.22 175.13 1nnv s LEU 91 N -0.20 2.11 0.01 -0.37 1.43 -0.32 0.13 118.68 121.47 1nnv s LEU 91 Ca 0.03 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1nnv s LEU 91 Cb -0.07 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1nnv s LEU 91 CO 0.00 0.23 -0.17 -0.63 0.23 0.00 0.00 176.35 176.00 1nnv s ILE 92 N -0.05 1.36 0.45 -0.59 -1.09 -0.74 -2.45 121.20 118.09 1nnv s ILE 92 Ca -0.07 -0.89 -0.22 0.00 -2.23 0.00 0.00 60.65 57.24 1nnv s ILE 92 Cb -0.15 -1.16 -0.08 0.00 -1.58 0.00 0.00 42.46 39.49 1nnv s ILE 92 CO 0.05 0.25 1.06 -0.44 -1.23 0.00 0.00 174.94 174.63 1nnv s SER 93 N -0.74 6.48 -0.17 3.58 0.01 -0.92 -1.12 113.70 120.82 1nnv s SER 93 Ca 0.06 2.03 0.07 0.00 1.31 0.00 0.00 55.95 59.41 1nnv s SER 93 Cb -0.07 -2.58 0.47 0.00 0.21 0.00 0.00 66.02 64.05 1nnv s SER 93 CO 0.00 -0.69 1.31 1.41 0.41 0.00 0.00 173.24 175.68 1nnv n HIS 94 N -0.54 1.37 -3.72 2.43 8.25 -0.65 -4.90 115.22 117.45 1nnv n HIS 94 Ca 0.07 -0.62 -0.29 0.00 -0.26 0.00 0.00 57.72 56.62 1nnv n HIS 94 Cb 0.51 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 31.16 1nnv n HIS 94 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nnv s ARG 95 N -2.02 3.53 -0.08 -0.41 0.52 -1.26 -4.07 118.95 115.15 1nnv s ARG 95 Ca 0.33 -0.30 -0.10 0.00 -0.52 0.00 0.00 55.73 55.13 1nnv s ARG 95 Cb 0.25 -2.87 -0.29 0.00 0.52 0.00 0.00 34.95 32.57 1nnv s ARG 95 CO 0.09 0.44 0.54 1.49 0.02 0.00 0.00 175.30 177.88 1nnv h GLU 96 N 2.32 0.33 -4.72 3.54 4.81 -1.91 -3.43 114.58 115.52 1nnv h GLU 96 Ca -0.47 -0.56 -0.68 0.00 -0.13 0.00 0.00 59.36 57.51 1nnv h GLU 96 Cb 1.18 0.21 -0.22 0.00 0.63 0.00 0.00 28.75 30.55 1nnv h GLU 96 CO 0.70 1.27 -0.53 -1.21 -0.73 0.00 0.00 179.01 178.51 1nnv s GLU 97 N -2.56 3.25 -0.13 1.92 2.02 -1.26 -4.80 118.70 117.14 1nnv s GLU 97 Ca -0.19 -0.79 -0.09 0.00 0.02 0.00 0.00 54.97 53.92 1nnv s GLU 97 Cb 0.06 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.67 1nnv s GLU 97 CO 0.81 -0.49 0.17 -0.25 0.02 0.00 0.00 175.26 175.52 1nnv n ASP 98 N 5.01 -1.25 -4.08 -0.19 8.00 -1.26 -5.04 116.55 117.74 1nnv n ASP 98 Ca -0.13 1.02 -0.28 0.00 0.71 0.00 0.00 54.79 56.11 1nnv n ASP 98 Cb 0.48 -4.14 -0.17 0.00 -0.02 0.00 0.00 41.12 37.28 1nnv n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nnv s ARG 99 N -0.78 2.28 0.38 -1.24 1.70 -1.26 -4.83 118.95 115.20 1nnv s ARG 99 Ca -0.20 -0.60 -0.06 0.00 -0.47 0.00 0.00 55.73 54.40 1nnv s ARG 99 Cb 0.01 -1.88 -0.05 0.00 -0.57 0.00 0.00 34.95 32.47 1nnv s ARG 99 CO 0.54 0.00 0.67 -1.21 -1.08 0.00 0.00 175.30 174.23 1nnv s GLU 100 N 0.79 3.64 -0.08 3.89 0.41 -1.26 -4.84 118.70 121.26 1nnv s GLU 100 Ca -0.11 0.16 -0.13 0.00 -0.41 0.00 0.00 54.97 54.48 1nnv s GLU 100 Cb -0.16 -2.51 0.03 0.00 -1.78 0.00 0.00 34.13 29.72 1nnv s GLU 100 CO 0.01 0.03 0.33 -0.59 -0.49 0.00 0.00 175.26 174.55 1nnv s PHE 101 N -2.35 -0.28 0.07 1.61 -0.12 -1.26 -2.16 117.98 113.49 1nnv s PHE 101 Ca 0.47 0.62 0.00 0.00 -0.05 0.00 0.00 56.93 57.96 1nnv s PHE 101 Cb -0.10 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1nnv s PHE 101 CO 0.34 -0.28 -0.05 -3.38 -0.05 0.00 0.00 175.22 171.81 1nnv s HIS 102 N -0.52 0.69 -0.12 3.49 -3.43 -1.03 -4.98 115.29 109.41 1nnv s HIS 102 Ca -0.06 -1.00 -0.14 0.00 -0.80 0.00 0.00 55.06 53.07 1nnv s HIS 102 Cb -0.04 -0.45 0.03 0.00 -1.43 0.00 0.00 32.58 30.70 1nnv s HIS 102 CO 0.02 -0.27 0.37 0.54 -2.00 0.00 0.00 174.74 173.40 1nnv s VAL 103 N -3.77 0.01 -0.14 -5.38 0.11 -1.26 -1.17 120.40 108.80 1nnv s VAL 103 Ca 0.09 -0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 1nnv s VAL 103 Cb 0.07 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1nnv s VAL 103 CO -0.08 -0.05 0.01 0.27 -3.33 0.00 0.00 175.10 171.93 1nnv s ILE 104 N -0.10 4.32 0.12 7.04 -0.00 -0.85 -4.94 121.20 126.79 1nnv s ILE 104 Ca -0.03 -0.22 0.09 0.00 -0.00 0.00 0.00 60.65 60.50 1nnv s ILE 104 Cb -0.03 -2.89 -0.04 0.00 -0.00 0.00 0.00 42.46 39.50 1nnv s ILE 104 CO 0.01 0.52 -0.17 0.26 -0.00 0.00 0.00 174.94 175.57 1nnv s TRP 105 N -0.06 2.56 0.59 1.37 0.52 -1.26 -2.45 118.94 120.20 1nnv s TRP 105 Ca 0.04 -0.25 -0.17 0.00 0.02 0.00 0.00 56.10 55.74 1nnv s TRP 105 Cb -0.13 -1.35 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 1nnv s TRP 105 CO 0.02 0.40 1.07 0.21 0.02 0.00 0.00 176.95 178.67 1nnv s LYS 106 N -2.18 3.29 0.00 4.98 2.20 -1.12 -4.96 119.74 121.95 1nnv s LYS 106 Ca 0.19 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 1nnv s LYS 106 Cb -0.11 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 1nnv s LYS 106 CO 0.11 -0.85 0.46 0.36 -0.36 0.00 0.00 175.35 175.07