#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 0.50 -3.65 1.12 5.66 -1.26 -5.06 114.28 111.59 1nnv n THR 2 Ca 0.00 -0.52 -0.02 0.00 -3.05 0.00 0.00 64.05 60.46 1nnv n THR 2 Cb 0.00 0.79 -0.07 0.00 -1.55 0.00 0.00 70.33 69.51 1nnv n THR 2 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1nnv s THR 3 N -0.50 0.00 -0.15 1.09 -1.32 -1.26 -5.08 115.64 108.42 1nnv s THR 3 Ca 0.00 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.33 1nnv s THR 3 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1nnv s THR 3 CO 0.00 0.00 0.17 -0.33 -2.21 0.00 0.00 174.62 172.25 1nnv h GLU 4 N 4.00 0.00 -5.23 7.08 4.39 -2.08 -3.46 114.58 119.28 1nnv h GLU 4 Ca -0.27 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.78 1nnv h GLU 4 Cb 1.18 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.57 1nnv h GLU 4 CO 0.19 0.51 -0.73 0.42 -1.16 0.00 0.00 179.01 178.24 1nnv s ILE 5 N -2.14 3.33 0.29 3.13 1.01 -1.26 -5.12 121.20 120.44 1nnv s ILE 5 Ca -0.17 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1nnv s ILE 5 Cb 0.02 -2.45 0.06 0.00 0.01 0.00 0.00 42.46 40.10 1nnv s ILE 5 CO 0.39 0.49 0.39 0.29 0.00 0.00 0.00 174.94 176.50 1nnv n LYS 6 N 3.87 0.18 -3.93 2.79 4.76 -1.26 -5.13 118.16 119.43 1nnv n LYS 6 Ca -0.18 -0.95 -0.17 0.00 -2.87 0.00 0.00 58.31 54.14 1nnv n LYS 6 Cb 0.52 -0.30 -0.07 0.00 -1.84 0.00 0.00 35.03 33.35 1nnv n LYS 6 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1nnv n LYS 7 N -1.75 0.36 -4.72 1.97 5.02 -1.26 -4.90 118.16 112.87 1nnv n LYS 7 Ca 0.06 -2.88 -0.33 0.00 -2.02 0.00 0.00 58.31 53.13 1nnv n LYS 7 Cb 0.22 2.35 -0.12 0.00 -0.02 0.00 0.00 35.03 37.46 1nnv n LYS 7 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nnv s LEU 8 N 0.00 2.99 0.52 -0.35 1.43 -1.26 -5.03 118.68 116.98 1nnv s LEU 8 Ca 0.34 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 1nnv s LEU 8 Cb 0.02 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.53 1nnv s LEU 8 CO 0.24 0.35 1.12 -1.81 0.23 0.00 0.00 176.35 176.47 1nnv s ASP 9 N -0.71 5.93 0.11 2.29 1.11 -1.26 -4.76 116.67 119.37 1nnv s ASP 9 Ca 0.11 2.15 -0.34 0.00 0.18 0.00 0.00 52.55 54.65 1nnv s ASP 9 Cb -0.11 -2.58 -0.14 0.00 1.07 0.00 0.00 42.92 41.16 1nnv s ASP 9 CO 0.01 -1.07 1.56 -0.65 1.18 0.00 0.00 175.17 176.20 1nnv h PRO 10 N 1.44 -0.67 0.00 8.23 0.11 -1.99 0.86 132.00 139.97 1nnv h PRO 10 Ca -0.50 0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1nnv h PRO 10 Cb 1.25 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.51 1nnv h PRO 10 CO 0.58 -0.45 -0.18 0.22 -0.21 0.00 0.00 178.00 177.97 1nnv h ASP 11 N -0.70 0.00 0.01 -2.05 3.58 -1.99 -2.60 116.42 112.67 1nnv h ASP 11 Ca 0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.28 1nnv h ASP 11 Cb 0.74 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.80 1nnv h ASP 11 CO -0.33 0.18 -0.72 0.74 -2.88 0.00 0.00 179.24 176.23 1nnv h THR 12 N 0.00 1.40 0.00 2.25 2.02 -1.61 -1.39 112.91 115.58 1nnv h THR 12 Ca -0.00 -2.15 -0.05 0.00 0.77 0.00 0.00 66.41 64.98 1nnv h THR 12 Cb 0.50 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1nnv h THR 12 CO 0.02 0.63 -0.25 0.00 0.37 0.00 0.00 175.52 176.30 1nnv h ALA 13 N 0.32 1.53 0.01 6.16 0.00 0.86 -2.63 119.26 125.51 1nnv h ALA 13 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1nnv h ALA 13 Cb 1.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nnv h ALA 13 CO 0.14 0.31 -0.00 0.82 0.00 0.00 0.00 179.25 180.51 1nnv h ILE 14 N 0.00 0.23 -0.97 0.00 2.04 -1.49 -3.01 117.51 114.31 1nnv h ILE 14 Ca -0.00 -1.17 0.32 0.00 1.00 0.00 0.00 64.86 65.01 1nnv h ILE 14 Cb 0.45 0.44 -0.15 0.00 -0.74 0.00 0.00 36.82 36.82 1nnv h ILE 14 CO 0.03 0.08 0.46 0.44 0.00 0.00 0.00 178.15 179.16 1nnv h ASP 15 N -1.00 0.31 -0.22 1.72 5.19 -1.26 0.59 116.42 121.75 1nnv h ASP 15 Ca -0.00 0.21 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 1nnv h ASP 15 Cb 0.14 0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 1nnv h ASP 15 CO 0.00 -0.21 -0.27 0.16 -3.12 0.00 0.00 179.24 175.80 1nnv h ILE 16 N 0.22 1.32 -0.35 0.35 3.07 -1.60 -2.72 117.51 117.81 1nnv h ILE 16 Ca 0.71 -1.46 -0.03 0.00 1.55 0.00 0.00 64.86 65.63 1nnv h ILE 16 Cb 1.62 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 39.91 1nnv h ILE 16 CO -0.67 0.45 0.11 0.00 -1.05 0.00 0.00 178.15 176.99 1nnv h ALA 17 N 0.65 0.46 -0.61 0.16 0.00 -0.31 -2.58 119.26 117.02 1nnv h ALA 17 Ca 0.03 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1nnv h ALA 17 Cb 0.84 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1nnv h ALA 17 CO 0.06 0.10 0.12 -0.92 0.00 0.00 0.00 179.25 178.62 1nnv h TYR 18 N 0.41 0.19 0.00 0.00 5.03 -0.03 0.48 116.97 123.05 1nnv h TYR 18 Ca 0.11 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1nnv h TYR 18 Cb 0.26 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 1nnv h TYR 18 CO 0.01 -0.05 -0.07 0.22 -1.32 0.00 0.00 178.16 176.95 1nnv h ASP 19 N 0.25 0.00 0.68 -2.11 3.58 -1.25 -1.43 116.42 116.15 1nnv h ASP 19 Ca 0.33 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.61 1nnv h ASP 19 Cb 0.50 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1nnv h ASP 19 CO -0.42 0.07 -0.77 0.40 -2.88 0.00 0.00 179.24 175.63 1nnv h ILE 20 N 0.00 1.52 0.08 2.25 2.04 0.29 -2.32 117.51 121.36 1nnv h ILE 20 Ca -0.00 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.30 1nnv h ILE 20 Cb 0.14 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1nnv h ILE 20 CO 0.01 0.73 -0.04 0.15 0.00 0.00 0.00 178.15 179.01 1nnv h PHE 21 N 0.04 -0.09 0.00 1.37 3.57 -0.11 0.35 116.94 122.07 1nnv h PHE 21 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1nnv h PHE 21 Cb 1.36 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1nnv h PHE 21 CO 0.01 0.31 0.00 -0.07 -2.23 0.00 0.00 178.31 176.33 1nnv h LEU 22 N -0.52 0.00 0.00 0.59 4.07 -1.55 -0.33 115.31 117.56 1nnv h LEU 22 Ca -0.01 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.66 1nnv h LEU 22 Cb 0.44 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 1nnv h LEU 22 CO 0.02 0.00 -1.68 1.21 -1.08 0.00 0.00 178.44 176.90 1nnv n GLU 23 N -2.54 0.56 -0.01 1.13 4.07 -0.87 -4.60 120.64 118.38 1nnv n GLU 23 Ca 0.02 0.44 -0.16 0.00 -0.06 0.00 0.00 57.16 57.39 1nnv n GLU 23 Cb 0.26 -1.63 -0.10 0.00 -0.06 0.00 0.00 31.44 29.90 1nnv n GLU 23 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1nnv h MET 24 N -1.00 0.43 -6.53 5.31 2.86 -0.35 -3.46 114.93 112.18 1nnv h MET 24 Ca -0.44 -0.40 -0.52 0.00 -2.06 0.00 0.00 59.70 56.28 1nnv h MET 24 Cb 1.35 0.10 0.23 0.00 0.06 0.00 0.00 31.60 33.34 1nnv h MET 24 CO -0.27 1.05 -1.11 0.00 1.06 0.00 0.00 176.91 177.64 1nnv n ALA 25 N -2.56 -3.78 -2.22 6.32 0.00 -0.14 -3.75 120.51 114.40 1nnv n ALA 25 Ca -0.09 -0.81 -0.05 0.00 0.00 0.00 0.00 53.44 52.49 1nnv n ALA 25 Cb 0.62 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 2.19 0.27 0.00 0.00 0.00 -1.26 -4.85 105.19 101.54 1nnv n GLY 26 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.44 0.00 0.00 1.61 -0.58 -1.25 -4.99 120.64 114.00 1nnv n GLU 27 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1nnv n GLU 27 Cb 0.54 -0.22 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 1nnv n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1nnv n ASN 28 N -0.84 2.72 -4.69 1.62 5.15 -1.26 -5.07 115.26 112.88 1nnv n ASN 28 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1nnv n ASN 28 Cb 0.00 0.03 -0.01 0.00 -0.53 0.00 0.00 39.78 39.27 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1nnv n LEU 29 N -2.11 3.47 -4.72 1.20 0.00 -1.26 -4.89 117.00 108.69 1nnv n LEU 29 Ca 0.00 1.20 -0.43 0.00 0.00 0.00 0.00 56.01 56.78 1nnv n LEU 29 Cb 0.33 -1.48 -0.01 0.00 0.00 0.00 0.00 43.42 42.26 1nnv n LEU 29 CO 0.00 -0.49 1.08 0.47 0.00 0.00 0.00 177.39 178.45 1nnv n ASP 30 N 0.98 3.26 -0.16 1.96 9.92 -1.26 -4.79 116.55 126.47 1nnv n ASP 30 Ca 0.06 1.17 -0.04 0.00 -0.53 0.00 0.00 54.79 55.44 1nnv n ASP 30 Cb 0.35 -1.52 0.02 0.00 -0.64 0.00 0.00 41.12 39.33 1nnv n ASP 30 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1nnv h PRO 31 N 3.88 -0.11 0.19 -0.24 0.11 -1.99 -1.82 132.00 132.02 1nnv h PRO 31 Ca -0.47 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1nnv h PRO 31 Cb 1.26 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 1nnv h PRO 31 CO 0.72 -0.07 -0.47 0.00 -0.21 0.00 0.00 178.00 177.97 1nnv h ALA 32 N 1.22 -0.90 -0.83 -0.75 0.00 -2.00 -0.25 119.26 115.74 1nnv h ALA 32 Ca 0.23 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.27 1nnv h ALA 32 Cb 0.47 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1nnv h ALA 32 CO -0.56 -1.07 0.60 -0.44 0.00 0.00 0.00 179.25 177.77 1nnv h ASP 33 N -0.75 0.00 -0.10 0.00 3.32 -1.85 0.14 116.42 117.18 1nnv h ASP 33 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1nnv h ASP 33 Cb 0.74 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 1nnv h ASP 33 CO -0.23 0.00 -0.07 0.40 -1.72 0.00 0.00 179.24 177.62 1nnv h ILE 34 N 0.00 1.34 -0.49 0.35 2.04 -0.25 -2.16 117.51 118.35 1nnv h ILE 34 Ca 0.39 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1nnv h ILE 34 Cb 1.58 1.91 -0.09 0.00 -0.74 0.00 0.00 36.82 39.48 1nnv h ILE 34 CO -0.00 0.33 -0.55 0.25 0.00 0.00 0.00 178.15 178.17 1nnv h LEU 35 N -0.17 -1.86 -0.38 1.44 5.85 0.54 0.91 115.31 121.63 1nnv h LEU 35 Ca 0.02 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.03 1nnv h LEU 35 Cb 0.55 0.78 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1nnv h LEU 35 CO 0.02 -0.38 0.15 -0.07 -0.34 0.00 0.00 178.44 177.81 1nnv h LEU 36 N -0.34 0.17 -0.52 2.25 3.38 -1.56 0.24 115.31 118.93 1nnv h LEU 36 Ca 0.09 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1nnv h LEU 36 Cb 0.57 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1nnv h LEU 36 CO -0.64 0.14 -0.21 0.15 0.09 0.00 0.00 178.44 177.96 1nnv h PHE 37 N 0.31 -0.53 0.24 1.13 3.04 -0.37 1.04 116.94 121.80 1nnv h PHE 37 Ca 0.17 0.05 -0.31 0.00 3.98 0.00 0.00 57.97 61.86 1nnv h PHE 37 Cb 0.14 0.31 0.04 0.00 2.56 0.00 0.00 35.95 39.00 1nnv h PHE 37 CO -0.14 -0.30 -1.39 -2.95 -2.02 0.00 0.00 178.31 171.51 1nnv h ASN 38 N -0.09 0.78 0.60 0.41 7.08 -0.62 -3.24 115.58 120.50 1nnv h ASN 38 Ca 0.24 -0.93 0.00 0.00 -3.08 0.00 0.00 56.30 52.54 1nnv h ASN 38 Cb 0.47 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 1nnv h ASN 38 CO -0.58 1.67 0.00 0.00 -2.08 0.00 0.00 177.43 176.44 1nnv n LEU 39 N -3.78 0.00 0.00 6.14 -0.00 0.81 -4.77 117.00 115.40 1nnv n LEU 39 Ca -0.17 0.47 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1nnv n LEU 39 Cb 1.06 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1nnv n LEU 39 CO 0.58 -0.17 0.00 0.00 -0.00 0.00 0.00 177.39 177.80 1nnv n GLN 40 N -1.47 1.48 0.00 1.47 1.13 0.36 -4.92 117.38 115.43 1nnv n GLN 40 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1nnv n GLN 40 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.56 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 0.00 0.00 -0.35 1.08 -0.00 -1.24 -4.49 117.46 112.45 1nnv n PHE 41 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 1nnv n PHE 41 Cb 0.00 0.00 0.32 0.00 -0.00 0.00 0.00 39.48 39.80 1nnv n PHE 41 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1nnv h GLU 42 N 0.00 0.76 0.00 -4.13 4.81 -1.86 -2.80 114.58 111.36 1nnv h GLU 42 Ca 0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1nnv h GLU 42 Cb 0.00 -0.17 -0.19 0.00 0.63 0.00 0.00 28.75 29.02 1nnv h GLU 42 CO 0.00 0.50 -0.72 0.39 -0.73 0.00 0.00 179.01 178.45 1nnv n GLU 43 N -4.72 0.51 0.00 1.92 -0.58 -1.26 -4.76 120.64 111.75 1nnv n GLU 43 Ca 0.22 -2.21 0.00 0.00 -0.42 0.00 0.00 57.16 54.75 1nnv n GLU 43 Cb 0.55 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.79 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1nnv n ARG 44 N -0.16 0.91 0.00 3.49 3.00 -1.14 -5.11 116.66 117.65 1nnv n ARG 44 Ca 0.09 -0.12 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 1nnv n ARG 44 Cb 0.91 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.87 1nnv n ARG 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nnv n GLY 45 N 0.16 3.82 0.00 -0.13 0.00 -1.07 -1.33 105.19 106.65 1nnv n GLY 45 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1nnv n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnv n GLY 46 N -1.79 2.16 3.01 -0.02 0.00 -1.26 -4.41 105.19 102.88 1nnv n GLY 46 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1nnv n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nnv s VAL 47 N 2.50 0.77 -0.08 1.61 1.01 -1.26 -3.61 120.40 121.34 1nnv s VAL 47 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1nnv s VAL 47 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1nnv s VAL 47 CO 0.00 0.23 -0.20 -0.70 0.00 0.00 0.00 175.10 174.43 1nnv s GLU 48 N 0.08 2.45 -0.39 2.72 2.56 -0.86 -4.99 118.70 120.26 1nnv s GLU 48 Ca -0.01 -0.73 -0.22 0.00 0.00 0.00 0.00 54.97 54.00 1nnv s GLU 48 Cb -0.07 -1.95 0.01 0.00 2.00 0.00 0.00 34.13 34.12 1nnv s GLU 48 CO 0.00 0.19 0.74 0.12 -0.56 0.00 0.00 175.26 175.75 1nnv s PHE 49 N 0.28 3.08 0.39 5.30 2.19 -1.26 -1.23 117.98 126.74 1nnv s PHE 49 Ca -0.13 0.36 0.04 0.00 0.33 0.00 0.00 56.93 57.54 1nnv s PHE 49 Cb -0.16 -3.41 0.04 0.00 -1.31 0.00 0.00 43.02 38.19 1nnv s PHE 49 CO 0.06 -0.79 0.35 1.33 1.83 0.00 0.00 175.22 178.00 1nnv n VAL 50 N 5.84 0.00 -2.92 3.12 0.24 0.30 -4.98 118.33 119.93 1nnv n VAL 50 Ca 0.02 -1.51 -0.18 0.00 -2.04 0.00 0.00 64.34 60.62 1nnv n VAL 50 Cb 0.48 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.60 1nnv n VAL 50 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1nnv s GLU 51 N -3.66 2.72 0.71 7.34 2.12 -1.26 -2.80 118.70 123.86 1nnv s GLU 51 Ca 0.27 -1.16 -0.13 0.00 0.36 0.00 0.00 54.97 54.31 1nnv s GLU 51 Cb -0.02 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.71 1nnv s GLU 51 CO 0.17 -0.42 1.10 0.99 -0.54 0.00 0.00 175.26 176.56 1nnv s THR 52 N -2.47 3.32 0.00 -1.70 2.01 -1.26 -4.59 115.64 110.95 1nnv s THR 52 Ca 0.56 0.53 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1nnv s THR 52 Cb -0.10 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1nnv s THR 52 CO 0.35 -0.47 0.00 0.00 -0.69 0.00 0.00 174.62 173.81 1nnv n ALA 53 N -2.90 0.00 -0.00 7.40 0.00 -1.26 -4.86 120.51 118.88 1nnv n ALA 53 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1nnv n ALA 53 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 1nnv n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nnv h ASP 54 N 0.00 0.37 0.00 0.00 5.19 -1.97 -3.42 116.42 116.59 1nnv h ASP 54 Ca 0.00 -0.87 0.00 0.00 -0.62 0.00 0.00 57.03 55.54 1nnv h ASP 54 Cb 0.00 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1nnv h ASP 54 CO 0.00 1.76 0.00 -0.67 -3.12 0.00 0.00 179.24 177.21 1nnv n ASP 55 N -3.71 0.00 -3.53 6.45 -0.08 -1.26 -4.74 116.55 109.68 1nnv n ASP 55 Ca -0.30 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.82 1nnv n ASP 55 Cb 0.97 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.38 1nnv n ASP 55 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 1nnv s TRP 56 N 0.00 -0.57 -0.03 -0.67 1.48 -1.26 -5.03 118.94 112.86 1nnv s TRP 56 Ca 0.00 0.96 0.01 0.00 -1.06 0.00 0.00 56.10 56.01 1nnv s TRP 56 Cb 0.00 0.43 0.04 0.00 -1.16 0.00 0.00 33.47 32.77 1nnv s TRP 56 CO 0.00 -0.55 0.48 -0.85 -4.06 0.00 0.00 176.95 171.97 1nnv n GLU 57 N 0.80 0.12 -0.02 3.25 -0.00 -1.26 -2.86 120.64 120.66 1nnv n GLU 57 Ca -0.16 -0.37 -0.00 0.00 -0.00 0.00 0.00 57.16 56.63 1nnv n GLU 57 Cb 0.58 0.41 -0.05 0.00 -0.00 0.00 0.00 31.44 32.38 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1nnv n GLU 58 N -0.13 1.67 -0.10 3.44 -0.58 -1.26 -3.79 120.64 119.88 1nnv n GLU 58 Ca -0.09 -0.03 -0.16 0.00 -0.42 0.00 0.00 57.16 56.46 1nnv n GLU 58 Cb 0.46 -1.17 -0.07 0.00 -0.57 0.00 0.00 31.44 30.10 1nnv n GLU 58 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1nnv n GLU 59 N -2.01 0.53 -0.00 3.49 0.28 -1.26 -4.59 120.64 117.08 1nnv n GLU 59 Ca -0.06 0.47 -0.17 0.00 -0.16 0.00 0.00 57.16 57.23 1nnv n GLU 59 Cb 0.46 -1.65 -0.11 0.00 1.43 0.00 0.00 31.44 31.57 1nnv n GLU 59 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1nnv h ILE 60 N -1.00 1.45 0.00 3.84 3.07 -1.94 -3.49 117.51 119.43 1nnv h ILE 60 Ca -0.25 -2.06 0.00 0.00 1.55 0.00 0.00 64.86 64.10 1nnv h ILE 60 Cb 1.05 2.63 0.00 0.00 -0.27 0.00 0.00 36.82 40.24 1nnv h ILE 60 CO -0.15 0.59 0.00 0.61 -1.05 0.00 0.00 178.15 178.15 1nnv n GLY 61 N 1.07 0.69 0.00 0.16 0.00 -1.26 -5.06 105.19 100.79 1nnv n GLY 61 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1nnv n GLY 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nnv n VAL 62 N 0.00 0.00 -1.73 1.61 3.14 -1.25 -5.03 118.33 115.07 1nnv n VAL 62 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1nnv n VAL 62 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1nnv n VAL 62 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1nnv n LEU 63 N 0.00 4.12 -4.42 6.55 4.77 -1.26 -4.07 117.00 122.69 1nnv n LEU 63 Ca 0.00 1.20 -0.34 0.00 -0.03 0.00 0.00 56.01 56.84 1nnv n LEU 63 Cb 0.00 -1.55 -0.13 0.00 -2.33 0.00 0.00 43.42 39.41 1nnv n LEU 63 CO 0.00 -0.13 -0.39 -0.63 -1.33 0.00 0.00 177.39 174.91 1nnv s ILE 64 N -0.81 3.52 -0.35 -0.08 -1.09 -1.14 -5.00 121.20 116.25 1nnv s ILE 64 Ca 0.57 -0.49 -0.10 0.00 -2.23 0.00 0.00 60.65 58.40 1nnv s ILE 64 Cb -0.53 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1nnv s ILE 64 CO 0.59 0.49 0.18 -1.81 -1.23 0.00 0.00 174.94 173.17 1nnv s ASP 65 N 0.54 5.65 0.76 3.58 1.01 -1.26 -4.65 116.67 122.31 1nnv s ASP 65 Ca -0.05 -0.83 -0.13 0.00 0.71 0.00 0.00 52.55 52.24 1nnv s ASP 65 Cb -0.15 -2.01 0.06 0.00 1.01 0.00 0.00 42.92 41.83 1nnv s ASP 65 CO 0.03 -0.32 1.17 -2.16 0.21 0.00 0.00 175.17 174.10 1nnv s PRO 66 N 1.57 2.02 0.00 8.23 0.04 -1.26 -2.20 135.00 143.40 1nnv s PRO 66 Ca 0.03 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1nnv s PRO 66 Cb -0.18 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1nnv s PRO 66 CO 0.06 -1.89 0.00 -0.85 0.04 0.00 0.00 177.00 174.36 1nnv n GLU 67 N -3.07 -1.98 0.00 4.56 0.28 -1.26 -4.54 120.64 114.63 1nnv n GLU 67 Ca 0.12 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1nnv n GLU 67 Cb 0.51 -4.35 0.00 0.00 1.43 0.00 0.00 31.44 29.03 1nnv n GLU 67 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1nnv n GLU 68 N 0.73 1.25 -4.65 3.44 1.02 -1.07 -5.07 120.64 116.28 1nnv n GLU 68 Ca 0.00 -0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.81 1nnv n GLU 68 Cb 0.37 -0.42 -0.14 0.00 -0.02 0.00 0.00 31.44 31.22 1nnv n GLU 68 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1nnv s TYR 69 N -0.20 1.64 -0.17 -0.32 1.51 -0.94 -3.56 117.35 115.31 1nnv s TYR 69 Ca 0.00 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 55.57 1nnv s TYR 69 Cb 0.00 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1nnv s TYR 69 CO 0.00 0.05 0.31 0.00 -1.11 0.00 0.00 175.55 174.79 1nnv s ALA 70 N -0.69 3.58 -0.25 3.71 0.00 -0.80 -4.05 121.76 123.26 1nnv s ALA 70 Ca 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 1nnv s ALA 70 Cb -0.08 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.61 1nnv s ALA 70 CO 0.01 -0.01 -0.02 -1.21 0.00 0.00 0.00 175.76 174.53 1nnv s GLU 71 N 0.69 3.15 -0.11 0.00 0.41 -1.12 -2.34 118.70 119.38 1nnv s GLU 71 Ca 0.16 -0.78 0.03 0.00 -0.41 0.00 0.00 54.97 53.98 1nnv s GLU 71 Cb -0.13 -3.09 -0.00 0.00 -1.78 0.00 0.00 34.13 29.12 1nnv s GLU 71 CO 0.05 -0.32 -0.23 0.08 -0.49 0.00 0.00 175.26 174.36 1nnv s VAL 72 N 1.44 2.16 -0.02 2.63 1.01 0.32 0.11 120.40 128.05 1nnv s VAL 72 Ca 0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1nnv s VAL 72 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1nnv s VAL 72 CO -0.02 0.55 0.05 0.26 0.00 0.00 0.00 175.10 175.94 1nnv s TRP 73 N 0.40 3.22 -0.28 5.22 0.52 -0.36 0.15 118.94 127.81 1nnv s TRP 73 Ca -0.17 0.19 -0.03 0.00 0.02 0.00 0.00 56.10 56.11 1nnv s TRP 73 Cb -0.17 -1.74 0.09 0.00 -1.15 0.00 0.00 33.47 30.50 1nnv s TRP 73 CO 0.07 0.52 0.11 0.08 0.02 0.00 0.00 176.95 177.75 1nnv s VAL 74 N -1.10 0.25 0.00 4.03 1.01 -0.45 -2.02 120.40 122.11 1nnv s VAL 74 Ca 0.20 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1nnv s VAL 74 Cb -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1nnv s VAL 74 CO 0.10 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1nnv n GLY 75 N 5.12 3.03 3.02 4.51 0.00 -1.24 -2.12 105.19 117.51 1nnv n GLY 75 Ca -0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1nnv n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nnv s LEU 76 N 0.00 1.83 0.52 0.99 2.01 0.98 -4.53 118.68 120.48 1nnv s LEU 76 Ca 0.00 -0.19 0.03 0.00 0.01 0.00 0.00 54.13 53.98 1nnv s LEU 76 Cb 0.00 0.35 0.01 0.00 0.01 0.00 0.00 46.19 46.56 1nnv s LEU 76 CO 0.00 -0.24 0.16 0.68 1.01 0.00 0.00 176.35 177.97 1nnv s VAL 77 N -0.96 1.37 0.00 -1.59 -7.23 -0.44 -3.03 120.40 108.52 1nnv s VAL 77 Ca -0.10 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1nnv s VAL 77 Cb -0.06 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1nnv s VAL 77 CO 0.00 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.38 1nnv n ASN 78 N -1.46 0.73 0.30 4.85 3.02 -1.24 -4.77 115.26 116.69 1nnv n ASN 78 Ca -0.12 -0.57 0.18 0.00 -0.03 0.00 0.00 54.58 54.04 1nnv n ASN 78 Cb 0.66 0.00 0.97 0.00 -0.61 0.00 0.00 39.78 40.80 1nnv n ASN 78 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1nnv h GLU 79 N 0.00 0.00 0.00 3.52 9.09 -1.98 -3.32 114.58 121.89 1nnv h GLU 79 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1nnv h GLU 79 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1nnv h GLU 79 CO 0.00 0.03 0.00 0.00 0.05 0.00 0.00 179.01 179.09 1nnv n GLN 80 N -3.40 0.00 0.00 1.06 10.64 -1.26 -5.05 117.38 119.37 1nnv n GLN 80 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1nnv n GLN 80 Cb 0.14 -0.42 0.00 0.00 -0.86 0.00 0.00 30.24 29.10 1nnv n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1nnv n ASP 81 N -0.48 0.00 -4.68 2.61 5.68 -1.25 -5.13 116.55 113.29 1nnv n ASP 81 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 54.79 53.84 1nnv n ASP 81 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nnv n GLU 82 N 0.00 2.23 -2.88 0.11 1.02 -1.26 -4.67 120.64 115.19 1nnv n GLU 82 Ca 0.00 0.80 -0.44 0.00 -0.02 0.00 0.00 57.16 57.50 1nnv n GLU 82 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 28.89 1nnv n GLU 82 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1nnv n MET 83 N 2.78 3.37 0.00 3.49 0.00 -1.26 -3.64 117.12 121.87 1nnv n MET 83 Ca 0.14 -3.79 0.12 0.00 -0.00 0.00 0.00 57.70 54.17 1nnv n MET 83 Cb 0.31 -3.06 0.58 0.00 0.00 0.00 0.00 33.22 31.05 1nnv n MET 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1nnv n ASP 84 N 5.70 0.00 -3.87 6.12 8.00 -1.26 -4.16 116.55 127.08 1nnv n ASP 84 Ca 0.38 0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.65 1nnv n ASP 84 Cb 0.42 -0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 41.07 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1nnv s ASP 85 N -2.65 4.41 -0.14 -2.24 1.11 -1.17 -5.06 116.67 110.92 1nnv s ASP 85 Ca 0.20 -3.53 -0.20 0.00 0.18 0.00 0.00 52.55 49.20 1nnv s ASP 85 Cb 0.16 -1.52 -0.03 0.00 1.07 0.00 0.00 42.92 42.59 1nnv s ASP 85 CO 0.37 -0.14 0.59 0.54 1.18 0.00 0.00 175.17 177.71 1nnv s VAL 86 N -0.97 5.09 -0.05 -1.27 0.11 -1.26 -0.02 120.40 122.03 1nnv s VAL 86 Ca 0.23 1.15 0.07 0.00 -2.93 0.00 0.00 61.98 60.50 1nnv s VAL 86 Cb -0.10 -3.92 -0.24 0.00 -1.53 0.00 0.00 36.38 30.59 1nnv s VAL 86 CO -0.12 0.21 0.64 -0.26 -3.33 0.00 0.00 175.10 172.25 1nnv h PHE 87 N 7.09 0.13 -1.93 1.54 0.04 -1.77 -3.46 116.94 118.58 1nnv h PHE 87 Ca -0.37 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.27 1nnv h PHE 87 Cb 1.17 -0.01 -0.20 0.00 2.20 0.00 0.00 35.95 39.11 1nnv h PHE 87 CO 0.67 1.19 0.24 0.00 -0.60 0.00 0.00 178.31 179.81 1nnv s ALA 88 N -2.60 -1.80 -0.03 2.45 0.00 -1.03 -2.37 121.76 116.39 1nnv s ALA 88 Ca -0.08 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1nnv s ALA 88 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1nnv s ALA 88 CO 0.82 -0.36 -0.13 0.15 0.00 0.00 0.00 175.76 176.24 1nnv s LYS 89 N -1.02 2.46 -0.01 0.00 1.02 -1.03 -1.35 119.74 119.82 1nnv s LYS 89 Ca -0.09 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.24 1nnv s LYS 89 Cb -0.01 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1nnv s LYS 89 CO 0.08 0.61 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.84 1nnv s PHE 90 N -0.83 2.46 0.17 3.18 0.40 0.40 -1.92 117.98 121.85 1nnv s PHE 90 Ca 0.13 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1nnv s PHE 90 Cb -0.11 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1nnv s PHE 90 CO 0.03 0.10 -0.18 -0.51 0.70 0.00 0.00 175.22 175.36 1nnv s LEU 91 N -0.90 2.46 -0.30 -0.37 1.43 -0.19 -0.52 118.68 120.29 1nnv s LEU 91 Ca 0.12 -0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1nnv s LEU 91 Cb -0.10 -0.81 0.15 0.00 0.03 0.00 0.00 46.19 45.47 1nnv s LEU 91 CO 0.01 -0.06 0.77 0.27 0.23 0.00 0.00 176.35 177.57 1nnv s ILE 92 N -2.22 -0.81 -0.59 -0.59 -4.36 -0.99 -2.45 121.20 109.19 1nnv s ILE 92 Ca 0.17 0.00 -0.28 0.00 -0.26 0.00 0.00 60.65 60.28 1nnv s ILE 92 Cb -0.05 -1.00 0.02 0.00 1.25 0.00 0.00 42.46 42.68 1nnv s ILE 92 CO 0.07 0.00 1.34 -0.55 0.24 0.00 0.00 174.94 176.04 1nnv s SER 93 N 2.77 6.21 -0.36 4.36 0.15 -0.93 -1.91 113.70 123.98 1nnv s SER 93 Ca 0.00 0.14 -0.34 0.00 0.70 0.00 0.00 55.95 56.46 1nnv s SER 93 Cb -0.11 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.54 1nnv s SER 93 CO -0.18 -1.68 2.22 1.41 1.20 0.00 0.00 173.24 176.21 1nnv n HIS 94 N 9.30 1.59 -2.81 3.44 -0.00 -1.23 -4.32 115.22 121.18 1nnv n HIS 94 Ca 0.10 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1nnv n HIS 94 Cb 0.49 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 1nnv n HIS 94 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1nnv n ARG 95 N 8.31 0.00 0.06 -0.41 1.74 -1.26 -4.88 116.66 120.21 1nnv n ARG 95 Ca 0.41 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1nnv n ARG 95 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 1nnv n ARG 95 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nnv n GLU 96 N 0.00 0.00 0.00 5.56 0.28 -1.26 -4.84 120.64 120.38 1nnv n GLU 96 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.15 1nnv n GLU 96 Cb 0.00 -0.05 0.72 0.00 1.43 0.00 0.00 31.44 33.54 1nnv n GLU 96 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1nnv n GLU 97 N -2.96 1.32 -3.15 3.44 2.13 -1.26 -4.61 120.64 115.55 1nnv n GLU 97 Ca 0.00 -0.49 0.04 0.00 0.66 0.00 0.00 57.16 57.37 1nnv n GLU 97 Cb 0.03 -1.49 -0.00 0.00 0.27 0.00 0.00 31.44 30.25 1nnv n GLU 97 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1nnv s ASP 98 N -2.02 -1.41 -0.13 4.31 -4.77 -1.26 -5.14 116.67 106.24 1nnv s ASP 98 Ca 0.42 0.35 0.00 0.00 -3.30 0.00 0.00 52.55 50.02 1nnv s ASP 98 Cb 0.21 1.97 0.02 0.00 -1.09 0.00 0.00 42.92 44.04 1nnv s ASP 98 CO 0.36 -0.26 -0.12 0.00 0.70 0.00 0.00 175.17 175.85 1nnv s ARG 99 N 2.85 2.00 -0.32 2.11 1.70 -1.26 -4.45 118.95 121.58 1nnv s ARG 99 Ca 0.14 -0.45 -0.07 0.00 -0.47 0.00 0.00 55.73 54.88 1nnv s ARG 99 Cb -0.10 -1.88 0.02 0.00 -0.57 0.00 0.00 34.95 32.42 1nnv s ARG 99 CO -0.24 -0.22 0.10 -1.21 -1.08 0.00 0.00 175.30 172.65 1nnv s GLU 100 N 1.49 2.84 -0.03 3.89 0.41 -1.26 -4.94 118.70 121.11 1nnv s GLU 100 Ca 0.03 -1.03 0.07 0.00 -0.41 0.00 0.00 54.97 53.63 1nnv s GLU 100 Cb -0.13 -3.45 -0.02 0.00 -1.78 0.00 0.00 34.13 28.75 1nnv s GLU 100 CO -0.08 -0.57 -0.24 -0.59 -0.49 0.00 0.00 175.26 173.28 1nnv s PHE 101 N 1.46 2.41 0.25 1.61 -0.12 -1.26 -2.20 117.98 120.13 1nnv s PHE 101 Ca 0.01 -0.43 -0.09 0.00 -0.05 0.00 0.00 56.93 56.37 1nnv s PHE 101 Cb -0.18 -1.54 -0.01 0.00 -0.63 0.00 0.00 43.02 40.66 1nnv s PHE 101 CO 0.03 -0.03 0.40 -3.38 -0.05 0.00 0.00 175.22 172.19 1nnv s HIS 102 N -0.56 0.64 -0.11 3.49 -3.43 -1.03 -4.97 115.29 109.32 1nnv s HIS 102 Ca 0.08 -0.95 -0.16 0.00 -0.80 0.00 0.00 55.06 53.23 1nnv s HIS 102 Cb -0.11 -0.01 0.04 0.00 -1.43 0.00 0.00 32.58 31.07 1nnv s HIS 102 CO -0.00 -0.94 0.42 0.54 -2.00 0.00 0.00 174.74 172.76 1nnv s VAL 103 N -3.91 0.02 -0.04 -5.38 0.11 -1.26 -1.02 120.40 108.92 1nnv s VAL 103 Ca 0.27 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1nnv s VAL 103 Cb 0.01 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 1nnv s VAL 103 CO 0.11 -0.08 -0.05 0.27 -3.33 0.00 0.00 175.10 172.03 1nnv s ILE 104 N -0.38 3.85 0.09 7.04 -0.00 -0.81 -4.93 121.20 126.08 1nnv s ILE 104 Ca -0.05 -0.55 0.07 0.00 -0.00 0.00 0.00 60.65 60.12 1nnv s ILE 104 Cb -0.03 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.46 39.75 1nnv s ILE 104 CO 0.03 0.50 -0.11 0.26 -0.00 0.00 0.00 174.94 175.62 1nnv s TRP 105 N -0.92 2.72 0.92 1.37 0.52 -1.26 -2.47 118.94 119.81 1nnv s TRP 105 Ca 0.15 -0.16 -0.11 0.00 0.02 0.00 0.00 56.10 56.00 1nnv s TRP 105 Cb -0.11 -1.44 0.13 0.00 -1.15 0.00 0.00 33.47 30.90 1nnv s TRP 105 CO 0.05 0.41 1.05 1.63 0.02 0.00 0.00 176.95 180.10 1nnv n LYS 106 N 0.85 -0.40 0.00 4.98 5.02 -1.00 -4.99 118.16 122.62 1nnv n LYS 106 Ca -0.14 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1nnv n LYS 106 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1nnv n LYS 106 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24