#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnv s THR 2 N 0.00 3.39 0.11 1.12 2.01 -1.26 -4.95 115.64 116.06 1nnv s THR 2 Ca 0.00 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1nnv s THR 2 Cb 0.00 -3.47 -0.07 0.00 0.01 0.00 0.00 72.50 68.98 1nnv s THR 2 CO 0.00 -0.26 1.19 0.28 -0.69 0.00 0.00 174.62 175.14 1nnv s THR 3 N 6.61 3.87 -0.08 -0.82 -1.32 -1.26 -5.03 115.64 117.61 1nnv s THR 3 Ca 0.83 1.43 -0.01 0.00 -1.21 0.00 0.00 61.69 62.73 1nnv s THR 3 Cb -0.27 -3.91 -0.03 0.00 -1.51 0.00 0.00 72.50 66.77 1nnv s THR 3 CO 0.34 0.16 -0.02 -0.70 -2.21 0.00 0.00 174.62 172.19 1nnv s GLU 4 N 0.55 2.92 -0.19 7.08 2.56 -1.26 -5.10 118.70 125.26 1nnv s GLU 4 Ca 0.56 -0.44 -0.19 0.00 0.00 0.00 0.00 54.97 54.90 1nnv s GLU 4 Cb -0.30 -2.74 -0.03 0.00 2.00 0.00 0.00 34.13 33.05 1nnv s GLU 4 CO 0.32 0.69 0.52 0.42 -0.56 0.00 0.00 175.26 176.65 1nnv s ILE 5 N -0.87 5.11 0.13 -3.70 1.01 -1.26 -5.07 121.20 116.55 1nnv s ILE 5 Ca 0.13 0.97 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1nnv s ILE 5 Cb -0.11 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1nnv s ILE 5 CO 0.02 0.19 0.18 0.29 0.00 0.00 0.00 174.94 175.62 1nnv n LYS 6 N 4.69 0.89 -4.58 2.79 4.76 -1.26 -5.08 118.16 120.37 1nnv n LYS 6 Ca -0.05 -0.70 -0.33 0.00 -2.87 0.00 0.00 58.31 54.36 1nnv n LYS 6 Cb 0.50 -0.06 -0.16 0.00 -1.84 0.00 0.00 35.03 33.48 1nnv n LYS 6 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1nnv s LYS 7 N -2.61 3.15 0.87 1.97 1.02 -1.26 -4.70 119.74 118.19 1nnv s LYS 7 Ca 0.14 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.20 1nnv s LYS 7 Cb -0.01 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1nnv s LYS 7 CO 0.09 0.01 0.45 1.28 -0.92 0.00 0.00 175.35 176.26 1nnv n LEU 8 N 4.05 0.17 -4.78 3.17 4.77 -1.26 -4.95 117.00 118.17 1nnv n LEU 8 Ca -0.19 0.42 -0.38 0.00 -0.03 0.00 0.00 56.01 55.83 1nnv n LEU 8 Cb 0.52 -1.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 1nnv n LEU 8 CO 0.28 -3.45 0.59 -1.81 -1.33 0.00 0.00 177.39 171.68 1nnv s ASP 9 N -1.81 7.37 0.14 -1.43 1.11 -1.26 -4.94 116.67 115.84 1nnv s ASP 9 Ca 0.60 1.77 -0.28 0.00 0.18 0.00 0.00 52.55 54.82 1nnv s ASP 9 Cb -0.26 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.15 1nnv s ASP 9 CO 0.64 0.03 1.57 -0.65 1.18 0.00 0.00 175.17 177.94 1nnv h PRO 10 N 3.55 -0.39 -0.87 8.23 0.11 -2.01 -1.24 132.00 139.40 1nnv h PRO 10 Ca -0.47 0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1nnv h PRO 10 Cb 1.20 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1nnv h PRO 10 CO 0.66 -0.26 0.55 0.38 -0.21 0.00 0.00 178.00 179.12 1nnv h ASP 11 N -0.40 0.90 0.17 -2.05 2.03 -2.00 -2.62 116.42 112.45 1nnv h ASP 11 Ca 0.11 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1nnv h ASP 11 Cb 0.60 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 1nnv h ASP 11 CO -0.51 0.60 -0.29 0.74 -1.03 0.00 0.00 179.24 178.75 1nnv h THR 12 N 1.04 0.00 -0.75 1.15 2.02 -1.65 -2.28 112.91 112.45 1nnv h THR 12 Ca 0.36 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.71 1nnv h THR 12 Cb 0.08 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.37 1nnv h THR 12 CO -0.14 0.00 0.12 0.00 0.37 0.00 0.00 175.52 175.86 1nnv h ALA 13 N -1.14 0.91 -0.78 6.16 0.00 -1.27 -0.75 119.26 122.40 1nnv h ALA 13 Ca -0.02 0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.23 1nnv h ALA 13 Cb 0.45 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1nnv h ALA 13 CO -0.10 -0.39 0.34 0.82 0.00 0.00 0.00 179.25 179.92 1nnv h ILE 14 N 0.20 0.68 -0.26 0.00 5.03 -1.07 0.26 117.51 122.35 1nnv h ILE 14 Ca 0.42 -0.17 -0.19 0.00 -0.12 0.00 0.00 64.86 64.81 1nnv h ILE 14 Cb 0.75 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.68 1nnv h ILE 14 CO -0.58 0.09 -0.57 -2.24 -0.68 0.00 0.00 178.15 174.17 1nnv h ASP 15 N 0.49 0.91 0.25 1.72 3.04 -0.60 -1.89 116.42 120.35 1nnv h ASP 15 Ca 0.42 -0.50 -0.01 0.00 -3.24 0.00 0.00 57.03 53.70 1nnv h ASP 15 Cb 0.62 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 1nnv h ASP 15 CO -0.39 1.29 -0.12 0.40 -2.04 0.00 0.00 179.24 178.38 1nnv h ILE 16 N 0.62 0.00 -0.90 4.15 2.04 -0.67 -2.35 117.51 120.40 1nnv h ILE 16 Ca 0.01 -0.13 0.21 0.00 1.00 0.00 0.00 64.86 65.95 1nnv h ILE 16 Cb 1.17 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.13 1nnv h ILE 16 CO 0.12 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.70 1nnv h ALA 17 N -1.71 1.46 -0.19 1.87 0.00 -0.64 0.24 119.26 120.28 1nnv h ALA 17 Ca -0.03 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nnv h ALA 17 Cb 0.26 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1nnv h ALA 17 CO 0.06 -0.29 -0.10 -0.92 0.00 0.00 0.00 179.25 177.99 1nnv h TYR 18 N 0.46 -0.24 -0.89 0.00 3.20 -1.37 -0.34 116.97 117.78 1nnv h TYR 18 Ca 0.56 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.65 1nnv h TYR 18 Cb 1.02 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 1nnv h TYR 18 CO -0.11 -0.16 0.59 0.22 -1.64 0.00 0.00 178.16 177.06 1nnv h ASP 19 N -0.09 0.40 0.04 -2.11 3.58 -0.39 -2.44 116.42 115.42 1nnv h ASP 19 Ca 0.10 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 1nnv h ASP 19 Cb 0.24 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1nnv h ASP 19 CO -0.24 0.17 -0.02 0.40 -2.88 0.00 0.00 179.24 176.67 1nnv h ILE 20 N 0.40 0.00 -1.50 2.25 2.04 -0.68 -2.61 117.51 117.41 1nnv h ILE 20 Ca 0.46 -0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.75 1nnv h ILE 20 Cb 1.14 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1nnv h ILE 20 CO -0.17 0.00 1.26 0.15 0.00 0.00 0.00 178.15 179.39 1nnv h PHE 21 N -0.05 0.00 -0.12 1.37 3.57 -1.10 1.47 116.94 122.07 1nnv h PHE 21 Ca -0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1nnv h PHE 21 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1nnv h PHE 21 CO 0.21 0.00 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.93 1nnv h LEU 22 N 0.00 0.46 0.00 0.59 4.07 -1.18 -2.45 115.31 116.80 1nnv h LEU 22 Ca 0.71 -0.57 -0.25 0.00 0.08 0.00 0.00 57.88 57.85 1nnv h LEU 22 Cb 3.22 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 44.78 1nnv h LEU 22 CO -0.01 0.95 -2.10 1.21 -1.08 0.00 0.00 178.44 177.41 1nnv n GLU 23 N -4.43 0.67 -0.01 1.13 2.13 0.18 -4.48 120.64 115.83 1nnv n GLU 23 Ca -0.07 0.01 -0.16 0.00 0.66 0.00 0.00 57.16 57.59 1nnv n GLU 23 Cb 0.46 -1.59 -0.12 0.00 0.27 0.00 0.00 31.44 30.47 1nnv n GLU 23 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1nnv h MET 24 N 0.00 0.24 0.00 5.31 2.86 0.16 -3.47 114.93 120.03 1nnv h MET 24 Ca -0.34 -0.29 -0.15 0.00 -2.06 0.00 0.00 59.70 56.86 1nnv h MET 24 Cb 1.84 0.09 0.09 0.00 0.06 0.00 0.00 31.60 33.68 1nnv h MET 24 CO 0.03 1.03 -0.07 0.00 1.06 0.00 0.00 176.91 178.96 1nnv n ALA 25 N -2.58 -2.11 -2.69 6.32 0.00 -0.92 -3.96 120.51 114.58 1nnv n ALA 25 Ca -0.11 -0.61 -0.20 0.00 0.00 0.00 0.00 53.44 52.52 1nnv n ALA 25 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.14 -0.51 0.00 0.00 0.00 -1.26 -4.64 105.19 96.64 1nnv n GLY 26 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.33 0.08 -0.00 1.61 -0.58 -1.25 -4.95 120.64 112.21 1nnv n GLU 27 Ca -0.16 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.59 1nnv n GLU 27 Cb 0.64 -0.05 -0.02 0.00 -0.57 0.00 0.00 31.44 31.43 1nnv n GLU 27 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nnv n ASN 28 N -0.44 4.22 -4.97 1.62 4.13 -1.26 -5.05 115.26 113.51 1nnv n ASN 28 Ca 0.00 -0.01 -0.21 0.00 1.68 0.00 0.00 54.58 56.04 1nnv n ASN 28 Cb 0.00 1.14 -0.01 0.00 -1.54 0.00 0.00 39.78 39.37 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1nnv s LEU 29 N -3.20 4.12 0.24 3.41 0.20 -1.26 -4.88 118.68 117.31 1nnv s LEU 29 Ca -0.01 0.10 -0.31 0.00 0.69 0.00 0.00 54.13 54.60 1nnv s LEU 29 Cb 0.02 -2.94 -0.11 0.00 -0.43 0.00 0.00 46.19 42.73 1nnv s LEU 29 CO 0.13 -0.26 1.58 1.51 -0.29 0.00 0.00 176.35 179.03 1nnv s ASP 30 N -4.06 6.47 0.57 3.68 1.47 -1.26 -4.78 116.67 118.76 1nnv s ASP 30 Ca 0.39 2.81 0.43 0.00 1.18 0.00 0.00 52.55 57.36 1nnv s ASP 30 Cb -0.09 -2.62 1.55 0.00 -0.34 0.00 0.00 42.92 41.42 1nnv s ASP 30 CO 0.32 -0.86 1.57 -0.65 0.68 0.00 0.00 175.17 176.22 1nnv h PRO 31 N 5.64 0.00 -0.10 2.11 0.11 -1.99 -0.25 132.00 137.52 1nnv h PRO 31 Ca -0.45 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1nnv h PRO 31 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1nnv h PRO 31 CO 0.84 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 178.36 1nnv h ALA 32 N 0.99 -0.30 -0.50 -0.75 0.00 -2.01 -0.81 119.26 115.88 1nnv h ALA 32 Ca 0.78 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.81 1nnv h ALA 32 Cb 3.32 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 21.60 1nnv h ALA 32 CO -0.01 -0.75 0.34 0.22 0.00 0.00 0.00 179.25 179.05 1nnv h ASP 33 N -0.36 0.22 0.02 0.00 3.58 -1.40 0.30 116.42 118.78 1nnv h ASP 33 Ca 0.09 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1nnv h ASP 33 Cb 0.50 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1nnv h ASP 33 CO -0.30 0.13 -0.01 0.40 -2.88 0.00 0.00 179.24 176.58 1nnv h ILE 34 N 0.24 1.04 -0.07 2.25 2.04 -1.23 0.77 117.51 122.54 1nnv h ILE 34 Ca 0.23 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1nnv h ILE 34 Cb 0.60 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1nnv h ILE 34 CO -0.04 0.05 0.00 0.25 0.00 0.00 0.00 178.15 178.40 1nnv h LEU 35 N -0.10 0.13 0.41 1.44 6.46 -0.87 -2.47 115.31 120.30 1nnv h LEU 35 Ca -0.00 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1nnv h LEU 35 Cb 0.10 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1nnv h LEU 35 CO 0.00 0.41 -0.31 -0.07 -0.62 0.00 0.00 178.44 177.85 1nnv h LEU 36 N -0.15 -0.82 -1.90 2.25 -0.00 -0.88 -1.28 115.31 112.52 1nnv h LEU 36 Ca 0.02 0.06 0.15 0.00 -0.00 0.00 0.00 57.88 58.11 1nnv h LEU 36 Cb 0.34 0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1nnv h LEU 36 CO 0.00 -0.47 0.53 0.15 -0.00 0.00 0.00 178.44 178.66 1nnv h PHE 37 N -0.72 0.00 0.11 1.13 3.57 0.53 0.95 116.94 122.51 1nnv h PHE 37 Ca -0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1nnv h PHE 37 Cb 0.62 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1nnv h PHE 37 CO -0.15 0.00 -0.05 -0.91 -2.23 0.00 0.00 178.31 174.97 1nnv h ASN 38 N 0.00 -0.12 0.53 0.41 2.35 -0.77 -3.35 115.58 114.62 1nnv h ASN 38 Ca 0.25 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1nnv h ASN 38 Cb 1.31 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 1nnv h ASN 38 CO -0.00 0.16 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.66 1nnv h LEU 39 N -0.64 0.00 0.00 1.61 -0.00 -0.91 -3.44 115.31 111.92 1nnv h LEU 39 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1nnv h LEU 39 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1nnv h LEU 39 CO 0.02 0.21 0.00 0.00 -0.00 0.00 0.00 178.44 178.67 1nnv n GLN 40 N -3.66 3.62 0.00 1.13 1.13 0.33 -4.74 117.38 115.18 1nnv n GLN 40 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1nnv n GLN 40 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.68 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 -0.17 1.08 7.35 -1.25 -4.22 117.46 120.25 1nnv n PHE 41 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1nnv n PHE 41 Cb 0.00 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.06 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 0.90 0.01 -4.13 4.81 -1.85 0.60 114.58 114.92 1nnv h GLU 42 Ca 0.00 -0.11 -0.40 0.00 -0.13 0.00 0.00 59.36 58.72 1nnv h GLU 42 Cb 0.00 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.14 1nnv h GLU 42 CO 0.00 0.69 -2.42 0.39 -0.73 0.00 0.00 179.01 176.94 1nnv n GLU 43 N -4.36 0.64 -2.56 1.92 -0.58 -1.26 -4.62 120.64 109.83 1nnv n GLU 43 Ca 0.06 0.20 -0.28 0.00 -0.42 0.00 0.00 57.16 56.72 1nnv n GLU 43 Cb 0.12 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.45 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 -3.56 3.39 -3.03 3.49 5.12 -1.23 -5.00 116.66 115.84 1nnv n ARG 44 Ca -0.46 -4.55 -0.40 0.00 -1.93 0.00 0.00 57.85 50.51 1nnv n ARG 44 Cb 0.96 -2.25 -0.05 0.00 -1.16 0.00 0.00 32.46 29.96 1nnv n ARG 44 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1nnv s GLY 45 N -3.42 2.71 -0.17 -0.13 0.00 0.21 -3.04 107.32 103.48 1nnv s GLY 45 Ca 0.48 0.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.37 1nnv s GLY 45 CO -0.19 1.08 0.20 -0.32 0.00 0.00 0.00 173.10 173.87 1nnv s GLY 46 N 0.22 0.04 -0.29 0.20 0.00 -1.20 -4.65 107.32 101.63 1nnv s GLY 46 Ca 0.37 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1nnv s GLY 46 CO 0.21 1.99 0.38 0.54 0.00 0.00 0.00 173.10 176.21 1nnv s VAL 47 N 2.31 -0.57 0.03 1.40 0.11 -1.26 0.78 120.40 123.20 1nnv s VAL 47 Ca 0.05 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1nnv s VAL 47 Cb -0.15 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1nnv s VAL 47 CO -0.10 -0.34 0.01 -1.61 -3.33 0.00 0.00 175.10 169.73 1nnv s GLU 48 N 2.47 2.74 -0.75 1.54 0.41 -0.73 -4.92 118.70 119.46 1nnv s GLU 48 Ca 0.10 -0.67 -0.23 0.00 -0.41 0.00 0.00 54.97 53.75 1nnv s GLU 48 Cb -0.13 -2.65 0.06 0.00 -1.78 0.00 0.00 34.13 29.64 1nnv s GLU 48 CO -0.30 0.60 1.12 0.12 -0.49 0.00 0.00 175.26 176.30 1nnv s PHE 49 N -1.17 2.60 0.74 1.61 5.36 -1.26 -1.52 117.98 124.34 1nnv s PHE 49 Ca 0.22 -0.53 -0.03 0.00 -0.96 0.00 0.00 56.93 55.63 1nnv s PHE 49 Cb -0.12 -4.43 0.13 0.00 -0.34 0.00 0.00 43.02 38.27 1nnv s PHE 49 CO 0.13 -1.78 1.03 0.14 -1.46 0.00 0.00 175.22 173.28 1nnv s VAL 50 N 4.47 2.16 0.49 3.12 -7.23 0.29 -4.94 120.40 118.75 1nnv s VAL 50 Ca 0.29 -0.50 0.07 0.00 -1.81 0.00 0.00 61.98 60.03 1nnv s VAL 50 Cb -0.11 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1nnv s VAL 50 CO 0.07 0.00 0.37 -0.70 -0.31 0.00 0.00 175.10 174.53 1nnv s GLU 51 N -5.23 2.33 0.80 4.82 2.56 -1.26 -2.21 118.70 120.51 1nnv s GLU 51 Ca 0.66 -1.84 -0.11 0.00 0.00 0.00 0.00 54.97 53.68 1nnv s GLU 51 Cb -0.06 -2.18 0.07 0.00 2.00 0.00 0.00 34.13 33.97 1nnv s GLU 51 CO 0.45 -0.42 1.09 0.99 -0.56 0.00 0.00 175.26 176.81 1nnv s THR 52 N -2.65 3.19 0.25 -1.70 2.01 -1.26 -4.68 115.64 110.80 1nnv s THR 52 Ca 0.40 0.39 -0.05 0.00 0.31 0.00 0.00 61.69 62.74 1nnv s THR 52 Cb -0.02 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1nnv s THR 52 CO 0.24 -0.51 0.33 0.00 -0.69 0.00 0.00 174.62 173.99 1nnv s ALA 53 N -3.04 0.65 -0.67 7.40 0.00 -1.26 -4.82 121.76 120.02 1nnv s ALA 53 Ca 0.61 -1.41 0.24 0.00 0.00 0.00 0.00 51.96 51.40 1nnv s ALA 53 Cb -0.16 1.24 0.28 0.00 0.00 0.00 0.00 23.12 24.48 1nnv s ALA 53 CO 0.55 -0.73 1.25 -0.25 0.00 0.00 0.00 175.76 176.58 1nnv n ASP 54 N -0.62 0.65 -2.28 0.00 9.92 -1.26 -4.16 116.55 118.80 1nnv n ASP 54 Ca 0.01 -0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.01 1nnv n ASP 54 Cb 0.63 0.35 0.01 0.00 -0.64 0.00 0.00 41.12 41.47 1nnv n ASP 54 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nnv n ASP 55 N -2.01 6.82 -0.09 -2.24 9.92 -1.26 -4.24 116.55 123.45 1nnv n ASP 55 Ca 0.03 -3.33 -0.09 0.00 -0.53 0.00 0.00 54.79 50.87 1nnv n ASP 55 Cb 0.43 -1.10 -0.16 0.00 -0.64 0.00 0.00 41.12 39.65 1nnv n ASP 55 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1nnv n TRP 56 N 0.19 0.12 -0.60 1.24 7.02 -1.26 -4.62 117.44 119.52 1nnv n TRP 56 Ca 0.45 0.04 -0.20 0.00 -1.02 0.00 0.00 57.50 56.77 1nnv n TRP 56 Cb 0.55 -1.01 -0.02 0.00 -2.42 0.00 0.00 31.31 28.40 1nnv n TRP 56 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1nnv n GLU 57 N -2.78 1.49 0.00 -0.99 1.02 -1.26 -2.56 120.64 115.56 1nnv n GLU 57 Ca -0.30 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.57 1nnv n GLU 57 Cb 1.14 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 4.79 0.00 0.00 3.49 -0.58 -1.26 -4.88 120.64 122.20 1nnv n GLU 58 Ca 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1nnv n GLU 58 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 1nnv n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nnv n GLU 59 N -2.02 0.00 0.16 3.49 -0.58 -1.06 -4.39 120.64 116.24 1nnv n GLU 59 Ca 0.00 0.07 0.02 0.00 -0.42 0.00 0.00 57.16 56.83 1nnv n GLU 59 Cb 0.00 -0.68 0.25 0.00 -0.57 0.00 0.00 31.44 30.44 1nnv n GLU 59 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1nnv h ILE 60 N 0.00 1.23 -3.65 -3.67 3.07 -1.96 -3.49 117.51 109.04 1nnv h ILE 60 Ca 0.00 -1.80 0.00 0.00 1.55 0.00 0.00 64.86 64.61 1nnv h ILE 60 Cb 0.00 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 1nnv h ILE 60 CO 0.00 0.49 -0.16 0.61 -1.05 0.00 0.00 178.15 178.04 1nnv n GLY 61 N 0.15 -1.24 0.00 0.16 0.00 -1.25 -5.10 105.19 97.91 1nnv n GLY 61 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.34 0.00 -2.19 1.61 0.24 -1.26 -5.00 118.33 111.39 1nnv n VAL 62 Ca 0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 1nnv n VAL 62 Cb 0.11 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.46 1nnv n VAL 62 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1nnv s LEU 63 N 0.00 3.78 -0.40 1.34 0.05 -1.26 -4.37 118.68 117.82 1nnv s LEU 63 Ca 0.00 1.37 -0.07 0.00 0.05 0.00 0.00 54.13 55.48 1nnv s LEU 63 Cb 0.00 -3.53 0.08 0.00 -2.05 0.00 0.00 46.19 40.69 1nnv s LEU 63 CO 0.00 -1.33 0.21 -0.63 -0.55 0.00 0.00 176.35 174.04 1nnv s ILE 64 N 5.38 3.83 -0.40 1.48 -1.09 -1.26 -5.04 121.20 124.09 1nnv s ILE 64 Ca 0.69 -1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 1nnv s ILE 64 Cb -0.21 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.20 1nnv s ILE 64 CO 0.29 -0.48 2.31 0.47 -1.23 0.00 0.00 174.94 176.31 1nnv n ASP 65 N 4.80 2.39 -4.69 3.58 8.00 -1.26 -4.88 116.55 124.50 1nnv n ASP 65 Ca -0.09 0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 1nnv n ASP 65 Cb 0.43 -1.42 0.14 0.00 -0.02 0.00 0.00 41.12 40.24 1nnv n ASP 65 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1nnv s PRO 66 N 7.10 1.44 0.00 -0.24 0.04 -1.26 -2.81 135.00 139.28 1nnv s PRO 66 Ca 1.06 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1nnv s PRO 66 Cb -0.52 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1nnv s PRO 66 CO 0.38 -2.35 0.00 0.39 0.04 0.00 0.00 177.00 175.46 1nnv n GLU 67 N -3.57 0.00 -0.07 4.56 1.02 -1.26 -4.75 120.64 116.57 1nnv n GLU 67 Ca 0.13 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 1nnv n GLU 67 Cb 0.51 -2.16 0.14 0.00 -0.02 0.00 0.00 31.44 29.90 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 1.30 -3.85 3.49 0.28 -1.12 -5.01 120.64 113.73 1nnv n GLU 68 Ca 0.00 -2.55 -0.12 0.00 -0.16 0.00 0.00 57.16 54.33 1nnv n GLU 68 Cb 0.00 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.25 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 -2.83 -0.06 -0.36 -1.84 2.02 -1.26 -3.71 117.35 109.32 1nnv s TYR 69 Ca 0.31 0.15 -0.20 0.00 -0.37 0.00 0.00 57.07 56.96 1nnv s TYR 69 Cb 0.27 0.02 0.00 0.00 -0.40 0.00 0.00 41.96 41.85 1nnv s TYR 69 CO 0.03 -0.03 0.62 0.00 -1.57 0.00 0.00 175.55 174.59 1nnv s ALA 70 N 0.05 3.45 -0.17 3.71 0.00 -0.67 -4.19 121.76 123.94 1nnv s ALA 70 Ca -0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1nnv s ALA 70 Cb -0.01 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1nnv s ALA 70 CO 0.00 -1.34 0.28 -1.21 0.00 0.00 0.00 175.76 173.48 1nnv s GLU 71 N 2.66 4.24 -0.04 0.00 8.01 -0.94 -2.37 118.70 130.26 1nnv s GLU 71 Ca 0.23 0.05 0.01 0.00 0.01 0.00 0.00 54.97 55.27 1nnv s GLU 71 Cb -0.15 -3.44 0.02 0.00 -4.31 0.00 0.00 34.13 26.25 1nnv s GLU 71 CO 0.15 0.21 -0.04 0.54 0.01 0.00 0.00 175.26 176.13 1nnv s VAL 72 N 0.56 0.45 -0.08 2.63 0.11 0.03 0.10 120.40 124.20 1nnv s VAL 72 Ca 0.15 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1nnv s VAL 72 Cb -0.13 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1nnv s VAL 72 CO 0.03 0.20 -0.15 0.26 -3.33 0.00 0.00 175.10 172.12 1nnv s TRP 73 N 0.86 2.73 -0.21 1.54 0.52 -0.57 -0.21 118.94 123.59 1nnv s TRP 73 Ca -0.11 -0.39 -0.00 0.00 0.02 0.00 0.00 56.10 55.62 1nnv s TRP 73 Cb -0.14 -1.71 0.06 0.00 -1.15 0.00 0.00 33.47 30.53 1nnv s TRP 73 CO -0.00 -0.00 -0.04 0.08 0.02 0.00 0.00 176.95 177.01 1nnv s VAL 74 N -0.26 1.30 0.00 4.03 1.01 -0.52 -1.78 120.40 124.19 1nnv s VAL 74 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1nnv s VAL 74 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1nnv s VAL 74 CO 0.03 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1nnv n GLY 75 N 4.77 4.64 3.11 4.51 0.00 0.23 -1.30 105.19 121.16 1nnv n GLY 75 Ca -0.12 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 2.46 0.00 0.99 1.02 -0.99 -3.24 118.68 118.92 1nnv s LEU 76 Ca 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 54.13 53.22 1nnv s LEU 76 Cb 0.00 0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.27 1nnv s LEU 76 CO 0.00 -0.49 0.36 1.33 0.02 0.00 0.00 176.35 177.57 1nnv n VAL 77 N 0.28 0.00 -3.74 -1.59 0.24 -1.17 -4.42 118.33 107.93 1nnv n VAL 77 Ca -0.15 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 1nnv n VAL 77 Cb 0.60 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 1nnv n VAL 77 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nnv n ASN 78 N -1.76 1.85 0.15 -1.34 3.02 -1.26 -4.71 115.26 111.22 1nnv n ASN 78 Ca 0.01 -0.81 0.01 0.00 -0.03 0.00 0.00 54.58 53.76 1nnv n ASN 78 Cb 0.46 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.85 1nnv n ASN 78 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1nnv h GLU 79 N 0.00 0.00 0.00 3.52 4.81 -1.97 -2.88 114.58 118.06 1nnv h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1nnv h GLU 79 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1nnv h GLU 79 CO 0.00 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.81 1nnv n GLN 80 N -3.68 0.17 -2.29 1.92 10.64 -1.26 -4.91 117.38 117.97 1nnv n GLN 80 Ca -0.01 0.50 -0.01 0.00 -1.83 0.00 0.00 57.00 55.65 1nnv n GLN 80 Cb 0.59 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 28.07 1nnv n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1nnv n ASP 81 N -2.22 -5.07 -3.95 2.61 8.00 -1.09 -5.08 116.55 109.75 1nnv n ASP 81 Ca 0.01 0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 1nnv n ASP 81 Cb 0.16 -3.28 -0.11 0.00 -0.02 0.00 0.00 41.12 37.87 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1nnv s GLU 82 N -2.70 0.30 -0.29 -1.24 2.56 -1.26 -5.01 118.70 111.06 1nnv s GLU 82 Ca 0.03 -0.50 0.03 0.00 0.00 0.00 0.00 54.97 54.53 1nnv s GLU 82 Cb -0.01 0.11 0.08 0.00 2.00 0.00 0.00 34.13 36.31 1nnv s GLU 82 CO 0.40 -0.05 -0.03 1.41 -0.56 0.00 0.00 175.26 176.42 1nnv s MET 83 N -1.28 1.80 0.00 4.30 1.75 -1.26 -4.26 119.30 120.36 1nnv s MET 83 Ca -0.14 -1.49 0.00 0.00 -1.25 0.00 0.00 55.69 52.81 1nnv s MET 83 Cb -0.08 -2.93 0.00 0.00 2.84 0.00 0.00 34.83 34.66 1nnv s MET 83 CO -0.00 -0.73 0.05 -3.47 -0.65 0.00 0.00 175.02 170.21 1nnv n ASP 84 N 4.41 0.10 -3.67 1.11 -0.08 -1.26 -4.97 116.55 112.19 1nnv n ASP 84 Ca -0.06 -0.59 -0.29 0.00 -1.51 0.00 0.00 54.79 52.33 1nnv n ASP 84 Cb 0.42 0.08 -0.13 0.00 2.34 0.00 0.00 41.12 43.84 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1nnv s ASP 85 N -0.08 3.50 0.04 1.67 1.01 -1.26 -5.11 116.67 116.43 1nnv s ASP 85 Ca 0.00 -2.66 -0.19 0.00 0.71 0.00 0.00 52.55 50.41 1nnv s ASP 85 Cb 0.00 -0.95 -0.06 0.00 1.01 0.00 0.00 42.92 42.91 1nnv s ASP 85 CO 0.00 -0.26 0.56 0.54 0.21 0.00 0.00 175.17 176.22 1nnv s VAL 86 N 0.34 4.83 -0.20 -1.27 0.11 -1.26 -2.34 120.40 120.61 1nnv s VAL 86 Ca 0.19 1.17 -0.20 0.00 -2.93 0.00 0.00 61.98 60.21 1nnv s VAL 86 Cb -0.22 -3.88 -0.20 0.00 -1.53 0.00 0.00 36.38 30.55 1nnv s VAL 86 CO -0.02 0.51 0.26 -0.26 -3.33 0.00 0.00 175.10 172.26 1nnv h PHE 87 N 4.94 0.06 -4.28 1.54 0.04 -1.52 -3.43 116.94 114.29 1nnv h PHE 87 Ca -0.48 -0.04 -0.22 0.00 2.80 0.00 0.00 57.97 60.02 1nnv h PHE 87 Cb 1.21 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.21 1nnv h PHE 87 CO 0.67 1.50 -0.64 0.00 -0.60 0.00 0.00 178.31 179.24 1nnv s ALA 88 N -2.38 1.05 -0.09 2.45 0.00 -0.52 -1.38 121.76 120.89 1nnv s ALA 88 Ca -0.28 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.06 1nnv s ALA 88 Cb 0.06 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1nnv s ALA 88 CO 0.62 -0.47 0.23 0.15 0.00 0.00 0.00 175.76 176.29 1nnv s LYS 89 N -4.04 0.24 0.03 0.00 1.02 -0.70 -1.44 119.74 114.85 1nnv s LYS 89 Ca 0.27 0.40 0.06 0.00 0.02 0.00 0.00 55.97 56.72 1nnv s LYS 89 Cb 0.07 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1nnv s LYS 89 CO 0.04 -0.09 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.15 1nnv s PHE 90 N 0.60 1.55 -0.08 3.18 0.40 0.71 -0.60 117.98 123.74 1nnv s PHE 90 Ca -0.04 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1nnv s PHE 90 Cb -0.05 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.56 1nnv s PHE 90 CO -0.03 0.05 -0.06 -0.51 0.70 0.00 0.00 175.22 175.36 1nnv s LEU 91 N -0.98 1.18 0.01 -0.37 1.43 -0.94 -0.79 118.68 118.22 1nnv s LEU 91 Ca 0.05 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1nnv s LEU 91 Cb -0.08 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 1nnv s LEU 91 CO 0.01 -0.09 -0.13 0.27 0.23 0.00 0.00 176.35 176.64 1nnv s ILE 92 N 1.39 1.05 -0.02 -0.59 -4.36 -1.00 -2.06 121.20 115.60 1nnv s ILE 92 Ca -0.02 -0.76 -0.30 0.00 -0.26 0.00 0.00 60.65 59.30 1nnv s ILE 92 Cb -0.13 -0.91 -0.07 0.00 1.25 0.00 0.00 42.46 42.60 1nnv s ILE 92 CO -0.03 0.14 1.73 -0.94 0.24 0.00 0.00 174.94 176.08 1nnv s SER 93 N -0.71 6.61 0.56 4.36 1.04 -0.99 -1.68 113.70 122.89 1nnv s SER 93 Ca 0.03 2.36 0.29 0.00 0.48 0.00 0.00 55.95 59.12 1nnv s SER 93 Cb -0.06 -2.53 1.65 0.00 0.10 0.00 0.00 66.02 65.17 1nnv s SER 93 CO 0.00 -0.96 2.16 0.45 0.98 0.00 0.00 173.24 175.88 1nnv h HIS 94 N 9.74 0.00 -2.43 5.02 -0.00 -1.91 -3.44 115.15 122.12 1nnv h HIS 94 Ca -0.42 0.00 -0.37 0.00 -0.00 0.00 0.00 60.37 59.58 1nnv h HIS 94 Cb 1.19 0.00 0.20 0.00 -0.00 0.00 0.00 27.41 28.80 1nnv h HIS 94 CO 0.90 0.06 -0.53 0.54 -0.00 0.00 0.00 177.93 178.90 1nnv n ARG 95 N -3.69 -2.60 -0.04 2.45 1.74 -1.26 -4.70 116.66 108.56 1nnv n ARG 95 Ca -0.02 -0.76 -0.04 0.00 -0.77 0.00 0.00 57.85 56.26 1nnv n ARG 95 Cb 0.17 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 29.85 1nnv n ARG 95 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1nnv n GLU 96 N -3.14 0.23 -2.30 5.56 4.07 -1.26 -4.92 120.64 118.88 1nnv n GLU 96 Ca 0.05 0.13 -0.42 0.00 -0.06 0.00 0.00 57.16 56.86 1nnv n GLU 96 Cb 0.53 -0.95 -0.03 0.00 -0.06 0.00 0.00 31.44 30.92 1nnv n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1nnv s GLU 97 N -1.82 4.40 0.07 5.31 2.02 -1.26 -4.52 118.70 122.90 1nnv s GLU 97 Ca -0.12 1.93 0.00 0.00 0.02 0.00 0.00 54.97 56.79 1nnv s GLU 97 Cb 0.02 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1nnv s GLU 97 CO 0.18 -0.28 0.00 -0.25 0.02 0.00 0.00 175.26 174.93 1nnv n ASP 98 N 3.50 -8.38 -4.00 -0.19 8.00 -1.26 -5.01 116.55 109.21 1nnv n ASP 98 Ca 0.09 1.48 -0.30 0.00 0.71 0.00 0.00 54.79 56.76 1nnv n ASP 98 Cb 0.44 -4.60 -0.16 0.00 -0.02 0.00 0.00 41.12 36.79 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 -0.86 2.10 -0.26 -1.24 1.04 -1.26 -4.85 118.95 113.61 1nnv s ARG 99 Ca 0.00 -0.77 -0.14 0.00 -1.04 0.00 0.00 55.73 53.78 1nnv s ARG 99 Cb 0.00 -2.34 -0.04 0.00 -2.04 0.00 0.00 34.95 30.53 1nnv s ARG 99 CO 0.00 -0.38 0.31 -1.21 -0.04 0.00 0.00 175.30 173.98 1nnv s GLU 100 N 1.42 4.02 0.03 3.89 2.02 -1.26 -4.91 118.70 123.91 1nnv s GLU 100 Ca 0.00 -0.07 0.07 0.00 0.02 0.00 0.00 54.97 54.99 1nnv s GLU 100 Cb -0.15 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1nnv s GLU 100 CO -0.09 -0.20 -0.21 -0.59 0.02 0.00 0.00 175.26 174.20 1nnv s PHE 101 N 1.83 1.82 0.20 1.61 -0.71 -1.26 -2.35 117.98 119.12 1nnv s PHE 101 Ca 0.13 -0.37 -0.05 0.00 -1.04 0.00 0.00 56.93 55.60 1nnv s PHE 101 Cb -0.16 -1.10 -0.03 0.00 -1.21 0.00 0.00 43.02 40.52 1nnv s PHE 101 CO 0.10 0.07 0.22 -3.38 -1.34 0.00 0.00 175.22 170.89 1nnv s HIS 102 N -0.73 0.84 -0.10 3.49 -3.43 -0.87 -4.99 115.29 109.49 1nnv s HIS 102 Ca 0.08 -1.13 -0.15 0.00 -0.80 0.00 0.00 55.06 53.05 1nnv s HIS 102 Cb -0.09 -0.31 0.04 0.00 -1.43 0.00 0.00 32.58 30.79 1nnv s HIS 102 CO 0.01 -0.72 0.39 0.54 -2.00 0.00 0.00 174.74 172.95 1nnv s VAL 103 N -4.09 0.02 -0.31 -5.38 0.11 -1.25 -2.20 120.40 107.29 1nnv s VAL 103 Ca 0.31 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1nnv s VAL 103 Cb 0.05 -0.60 0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1nnv s VAL 103 CO 0.09 -0.08 0.04 -0.63 -3.33 0.00 0.00 175.10 171.19 1nnv s ILE 104 N -0.32 3.31 0.12 7.04 1.09 0.23 -4.90 121.20 127.77 1nnv s ILE 104 Ca -0.05 -1.24 -0.04 0.00 -1.10 0.00 0.00 60.65 58.22 1nnv s ILE 104 Cb -0.03 -2.87 -0.05 0.00 -1.06 0.00 0.00 42.46 38.45 1nnv s ILE 104 CO 0.02 -0.10 0.34 0.26 -0.10 0.00 0.00 174.94 175.36 1nnv s TRP 105 N 1.32 3.49 0.57 3.97 0.52 -1.26 -1.73 118.94 125.83 1nnv s TRP 105 Ca -0.03 0.52 -0.15 0.00 0.02 0.00 0.00 56.10 56.46 1nnv s TRP 105 Cb -0.19 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 1nnv s TRP 105 CO 0.00 0.47 1.03 0.21 0.02 0.00 0.00 176.95 178.68 1nnv s LYS 106 N -2.53 3.55 0.00 4.98 2.47 -0.48 -5.00 119.74 122.73 1nnv s LYS 106 Ca 0.39 1.05 0.00 0.00 -1.56 0.00 0.00 55.97 55.84 1nnv s LYS 106 Cb -0.12 -2.07 0.00 0.00 -1.46 0.00 0.00 37.83 34.17 1nnv s LYS 106 CO 0.24 -0.61 0.16 0.36 0.16 0.00 0.00 175.35 175.66