#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnv h THR 2 N 0.00 1.24 0.00 2.03 2.02 -2.09 -3.44 112.91 112.66 1nnv h THR 2 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1nnv h THR 2 Cb 0.00 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1nnv h THR 2 CO 0.00 0.25 0.00 1.07 0.37 0.00 0.00 175.52 177.21 1nnv n THR 3 N -4.67 0.00 -3.96 3.16 5.66 -1.26 -5.14 114.28 108.07 1nnv n THR 3 Ca -0.03 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.74 1nnv n THR 3 Cb 0.21 -0.08 -0.05 0.00 -1.55 0.00 0.00 70.33 68.85 1nnv n THR 3 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nnv s GLU 4 N -1.38 2.42 0.13 1.09 -1.05 -1.26 -5.15 118.70 113.51 1nnv s GLU 4 Ca 0.00 -1.57 0.08 0.00 -0.15 0.00 0.00 54.97 53.33 1nnv s GLU 4 Cb 0.00 -2.22 -0.04 0.00 -0.44 0.00 0.00 34.13 31.43 1nnv s GLU 4 CO 0.00 0.01 -0.19 0.42 0.95 0.00 0.00 175.26 176.45 1nnv s ILE 5 N -2.45 1.68 -0.14 1.83 1.01 -1.26 0.90 121.20 122.77 1nnv s ILE 5 Ca 0.41 -1.70 -0.20 0.00 0.00 0.00 0.00 60.65 59.16 1nnv s ILE 5 Cb -0.02 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1nnv s ILE 5 CO 0.24 -0.21 0.57 -0.54 0.00 0.00 0.00 174.94 175.00 1nnv s LYS 6 N -2.34 4.31 0.52 2.79 1.02 -1.26 -4.99 119.74 119.78 1nnv s LYS 6 Ca 0.10 0.58 0.02 0.00 0.02 0.00 0.00 55.97 56.70 1nnv s LYS 6 Cb -0.08 -3.49 0.10 0.00 -0.52 0.00 0.00 37.83 33.84 1nnv s LYS 6 CO 0.05 0.00 0.71 0.36 -0.92 0.00 0.00 175.35 175.55 1nnv n LYS 7 N 4.16 0.28 -4.44 1.68 2.85 -1.26 -4.12 118.16 117.32 1nnv n LYS 7 Ca -0.04 -2.18 -0.23 0.00 -1.05 0.00 0.00 58.31 54.81 1nnv n LYS 7 Cb 0.51 -0.39 -0.10 0.00 -0.65 0.00 0.00 35.03 34.39 1nnv n LYS 7 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1nnv s LEU 8 N 0.00 2.56 0.22 -5.58 1.43 -1.26 -5.02 118.68 111.03 1nnv s LEU 8 Ca 0.49 -1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 1nnv s LEU 8 Cb -0.03 -1.01 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 1nnv s LEU 8 CO 0.32 0.00 0.63 -1.81 0.23 0.00 0.00 176.35 175.72 1nnv s ASP 9 N -3.37 6.84 0.14 2.29 1.11 -1.26 -4.91 116.67 117.51 1nnv s ASP 9 Ca 0.27 1.18 -0.25 0.00 0.18 0.00 0.00 52.55 53.93 1nnv s ASP 9 Cb -0.04 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.62 1nnv s ASP 9 CO 0.13 -0.01 1.61 -0.65 1.18 0.00 0.00 175.17 177.43 1nnv h PRO 10 N 3.06 -0.33 -0.20 8.23 0.11 -2.00 0.48 132.00 141.35 1nnv h PRO 10 Ca -0.48 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1nnv h PRO 10 Cb 1.18 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1nnv h PRO 10 CO 0.66 -0.22 -0.26 0.38 -0.21 0.00 0.00 178.00 178.35 1nnv h ASP 11 N -0.34 0.38 -0.17 -2.05 2.03 -2.00 -2.57 116.42 111.71 1nnv h ASP 11 Ca 0.12 -0.13 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1nnv h ASP 11 Cb 0.52 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1nnv h ASP 11 CO -0.39 0.65 -0.07 0.74 -1.03 0.00 0.00 179.24 179.13 1nnv h THR 12 N 0.34 1.31 -0.57 1.15 2.02 -1.70 -2.54 112.91 112.92 1nnv h THR 12 Ca 0.05 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1nnv h THR 12 Cb 0.65 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 1nnv h THR 12 CO 0.05 0.33 0.35 0.00 0.37 0.00 0.00 175.52 176.62 1nnv h ALA 13 N 0.69 1.56 0.75 6.16 0.00 0.01 -2.65 119.26 125.78 1nnv h ALA 13 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1nnv h ALA 13 Cb 0.54 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nnv h ALA 13 CO 0.02 0.40 -0.36 0.82 0.00 0.00 0.00 179.25 180.13 1nnv h ILE 14 N 0.78 0.21 -1.17 0.00 2.04 -1.35 -2.18 117.51 115.83 1nnv h ILE 14 Ca 0.21 -0.11 0.34 0.00 1.00 0.00 0.00 64.86 66.29 1nnv h ILE 14 Cb -0.05 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.20 1nnv h ILE 14 CO -0.04 0.01 0.83 0.44 0.00 0.00 0.00 178.15 179.39 1nnv h ASP 15 N -1.10 0.08 0.45 1.72 5.19 -1.21 0.38 116.42 121.93 1nnv h ASP 15 Ca -0.10 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1nnv h ASP 15 Cb 0.79 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1nnv h ASP 15 CO 0.17 0.01 -0.22 0.40 -3.12 0.00 0.00 179.24 176.48 1nnv h ILE 16 N 0.06 0.13 -0.25 0.35 1.08 -1.11 -2.50 117.51 115.28 1nnv h ILE 16 Ca 0.58 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1nnv h ILE 16 Cb 2.17 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 1nnv h ILE 16 CO -0.06 0.03 0.14 0.00 -0.69 0.00 0.00 178.15 177.56 1nnv h ALA 17 N -1.03 0.32 -0.70 1.87 0.00 -0.64 -2.27 119.26 116.82 1nnv h ALA 17 Ca -0.06 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1nnv h ALA 17 Cb 0.51 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1nnv h ALA 17 CO 0.10 -0.14 0.26 -0.92 0.00 0.00 0.00 179.25 178.55 1nnv h TYR 18 N 0.30 0.45 -0.83 0.00 5.03 -0.42 0.55 116.97 122.04 1nnv h TYR 18 Ca 0.09 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 1nnv h TYR 18 Cb 0.07 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 1nnv h TYR 18 CO -0.03 0.07 0.38 -0.44 -1.32 0.00 0.00 178.16 176.81 1nnv h ASP 19 N 0.42 1.10 1.39 -2.11 3.32 -1.18 -1.62 116.42 117.74 1nnv h ASP 19 Ca 0.37 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1nnv h ASP 19 Cb 0.53 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1nnv h ASP 19 CO -0.38 0.94 0.00 0.40 -1.72 0.00 0.00 179.24 178.48 1nnv h ILE 20 N 1.19 0.00 0.28 0.35 2.04 -0.49 -2.60 117.51 118.28 1nnv h ILE 20 Ca 0.28 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1nnv h ILE 20 Cb 0.14 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1nnv h ILE 20 CO -0.03 0.00 -0.14 0.15 0.00 0.00 0.00 178.15 178.13 1nnv h PHE 21 N 0.00 -0.35 0.00 1.37 3.57 0.98 -0.99 116.94 121.51 1nnv h PHE 21 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1nnv h PHE 21 Cb 0.69 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1nnv h PHE 21 CO 0.00 -0.22 0.00 1.47 -2.23 0.00 0.00 178.31 177.33 1nnv n LEU 22 N -4.48 0.00 -0.12 0.59 -0.00 -0.99 -1.47 117.00 110.53 1nnv n LEU 22 Ca -0.05 0.24 -0.23 0.00 -0.00 0.00 0.00 56.01 55.98 1nnv n LEU 22 Cb 0.15 -0.24 -0.09 0.00 -0.00 0.00 0.00 43.42 43.24 1nnv n LEU 22 CO 0.11 -0.07 -1.02 1.21 -0.00 0.00 0.00 177.39 177.62 1nnv n GLU 23 N -1.24 0.56 0.05 1.47 2.13 -0.98 -4.58 120.64 118.05 1nnv n GLU 23 Ca 0.11 0.35 -0.15 0.00 0.66 0.00 0.00 57.16 58.14 1nnv n GLU 23 Cb 0.16 -1.56 -0.05 0.00 0.27 0.00 0.00 31.44 30.26 1nnv n GLU 23 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1nnv h MET 24 N -1.00 0.53 -2.29 5.31 4.05 -1.23 -3.47 114.93 116.83 1nnv h MET 24 Ca -0.46 -0.52 -0.25 0.00 -0.28 0.00 0.00 59.70 58.19 1nnv h MET 24 Cb 1.36 0.14 0.05 0.00 -0.80 0.00 0.00 31.60 32.34 1nnv h MET 24 CO -0.28 1.15 -0.24 0.00 0.23 0.00 0.00 176.91 177.78 1nnv n ALA 25 N -2.57 -1.77 0.00 0.39 0.00 -0.54 -3.69 120.51 112.33 1nnv n ALA 25 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1nnv n ALA 25 Cb 0.81 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.79 2.00 3.01 0.00 0.00 -1.26 -4.89 105.19 104.83 1nnv n GLY 26 Ca 0.06 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 1.72 0.00 1.61 1.02 -1.24 -2.27 120.64 121.48 1nnv n GLU 27 Ca 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 1nnv n GLU 27 Cb 0.00 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.50 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 7.01 0.00 -4.91 1.62 4.05 -1.26 -5.12 115.26 116.65 1nnv n ASN 28 Ca 0.50 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 55.25 1nnv n ASN 28 Cb 0.38 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.40 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1nnv s LEU 29 N 0.00 3.49 0.30 1.20 0.20 -0.96 -4.77 118.68 118.13 1nnv s LEU 29 Ca 0.00 0.89 -0.14 0.00 0.69 0.00 0.00 54.13 55.57 1nnv s LEU 29 Cb 0.00 -3.81 -0.09 0.00 -0.43 0.00 0.00 46.19 41.86 1nnv s LEU 29 CO 0.00 -0.74 0.70 -0.62 -0.29 0.00 0.00 176.35 175.39 1nnv s ASP 30 N -4.17 6.74 0.14 3.68 2.15 -1.26 -4.75 116.67 119.20 1nnv s ASP 30 Ca 0.50 1.20 -0.26 0.00 0.43 0.00 0.00 52.55 54.42 1nnv s ASP 30 Cb -0.10 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 1nnv s ASP 30 CO 0.45 -0.18 1.61 1.55 -0.17 0.00 0.00 175.17 178.43 1nnv h PRO 31 N 2.31 -0.36 0.30 4.34 0.13 -1.98 -1.04 132.00 135.71 1nnv h PRO 31 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1nnv h PRO 31 Cb 1.17 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1nnv h PRO 31 CO 0.66 -0.24 -0.50 0.00 -0.23 0.00 0.00 178.00 177.69 1nnv h ALA 32 N 0.46 -1.02 -0.15 -0.56 0.00 -2.01 -0.84 119.26 115.15 1nnv h ALA 32 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nnv h ALA 32 Cb 0.55 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1nnv h ALA 32 CO -0.38 -1.13 0.22 -0.44 0.00 0.00 0.00 179.25 177.52 1nnv h ASP 33 N -0.86 0.00 -0.20 0.00 5.19 -1.94 0.50 116.42 119.11 1nnv h ASP 33 Ca -0.03 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.19 1nnv h ASP 33 Cb 0.80 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1nnv h ASP 33 CO -0.17 0.00 -0.62 0.40 -3.12 0.00 0.00 179.24 175.72 1nnv h ILE 34 N 0.00 1.28 0.26 0.35 2.04 0.19 -2.43 117.51 119.20 1nnv h ILE 34 Ca 0.07 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 1nnv h ILE 34 Cb 0.50 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1nnv h ILE 34 CO -0.00 0.59 -0.13 0.25 0.00 0.00 0.00 178.15 178.85 1nnv h LEU 35 N 0.60 -0.32 -0.44 1.44 6.46 -0.05 -2.29 115.31 120.72 1nnv h LEU 35 Ca -0.01 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1nnv h LEU 35 Cb 1.23 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.21 1nnv h LEU 35 CO 0.13 -0.22 0.20 0.25 -0.62 0.00 0.00 178.44 178.18 1nnv h LEU 36 N -0.36 0.27 -2.18 2.25 5.85 -1.55 0.21 115.31 119.80 1nnv h LEU 36 Ca -0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1nnv h LEU 36 Cb 0.28 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1nnv h LEU 36 CO 0.05 0.19 0.28 0.15 -0.34 0.00 0.00 178.44 178.78 1nnv h PHE 37 N 0.40 0.00 0.23 1.25 3.57 -1.22 0.05 116.94 121.22 1nnv h PHE 37 Ca 0.19 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.39 1nnv h PHE 37 Cb 0.13 0.00 0.03 0.00 2.79 0.00 0.00 35.95 38.90 1nnv h PHE 37 CO -0.12 0.00 -1.37 -0.91 -2.23 0.00 0.00 178.31 173.68 1nnv h ASN 38 N 0.00 0.75 -0.54 0.41 -0.26 -0.38 -3.19 115.58 112.37 1nnv h ASN 38 Ca 0.07 -0.93 0.00 0.00 -0.56 0.00 0.00 56.30 54.88 1nnv h ASN 38 Cb 0.64 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1nnv h ASN 38 CO -0.00 1.66 0.00 0.18 -1.06 0.00 0.00 177.43 178.21 1nnv n LEU 39 N -3.80 4.21 -0.78 1.61 7.99 -0.61 -4.47 117.00 121.16 1nnv n LEU 39 Ca -0.17 -2.40 -0.00 0.00 -0.01 0.00 0.00 56.01 53.43 1nnv n LEU 39 Cb 1.04 -0.50 -0.00 0.00 -0.11 0.00 0.00 43.42 43.85 1nnv n LEU 39 CO 0.57 0.79 0.22 0.00 -1.51 0.00 0.00 177.39 177.47 1nnv n GLN 40 N 0.81 0.00 -0.00 3.23 1.13 -0.09 -4.86 117.38 117.60 1nnv n GLN 40 Ca 0.22 -0.96 0.04 0.00 -1.94 0.00 0.00 57.00 54.36 1nnv n GLN 40 Cb 0.78 -0.14 -0.05 0.00 0.11 0.00 0.00 30.24 30.93 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 0.11 0.00 0.02 1.08 7.35 -1.21 -2.81 117.46 122.00 1nnv n PHE 41 Ca -0.02 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.51 1nnv n PHE 41 Cb 0.74 -0.06 -0.14 0.00 0.35 0.00 0.00 39.48 40.38 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 0.17 0.00 -4.13 4.81 -1.85 -2.98 114.58 110.61 1nnv h GLU 42 Ca 0.00 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 1nnv h GLU 42 Cb 0.25 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1nnv h GLU 42 CO 0.00 0.96 -1.43 -0.85 -0.73 0.00 0.00 179.01 176.96 1nnv n GLU 43 N -3.34 1.47 -0.50 1.92 0.28 -1.26 -4.62 120.64 114.59 1nnv n GLU 43 Ca -0.21 -0.04 0.06 0.00 -0.16 0.00 0.00 57.16 56.81 1nnv n GLU 43 Cb 1.05 -1.19 0.20 0.00 1.43 0.00 0.00 31.44 32.92 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1nnv n ARG 44 N -2.01 1.56 -3.70 3.44 3.00 -1.13 -4.96 116.66 112.86 1nnv n ARG 44 Ca -0.06 -3.14 -0.39 0.00 -0.01 0.00 0.00 57.85 54.25 1nnv n ARG 44 Cb 0.46 -1.61 -0.12 0.00 0.00 0.00 0.00 32.46 31.19 1nnv n ARG 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nnv s GLY 45 N -3.09 1.87 0.00 -0.13 0.00 -1.12 -3.05 107.32 101.80 1nnv s GLY 45 Ca 0.37 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.37 1nnv s GLY 45 CO -0.04 0.80 -0.02 -0.32 0.00 0.00 0.00 173.10 173.51 1nnv s GLY 46 N 1.46 0.11 -0.01 0.20 0.00 -1.26 -4.88 107.32 102.94 1nnv s GLY 46 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.67 1nnv s GLY 46 CO 0.04 -0.12 -0.24 -1.34 0.00 0.00 0.00 173.10 171.45 1nnv s VAL 47 N -0.14 1.88 -0.07 1.40 -7.23 -1.26 -3.04 120.40 111.93 1nnv s VAL 47 Ca -0.00 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1nnv s VAL 47 Cb -0.01 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1nnv s VAL 47 CO -0.00 0.51 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.52 1nnv s GLU 48 N -0.61 2.13 -0.27 4.82 0.41 -1.01 -5.01 118.70 119.15 1nnv s GLU 48 Ca 0.09 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.77 1nnv s GLU 48 Cb -0.09 -1.71 -0.01 0.00 -1.78 0.00 0.00 34.13 30.54 1nnv s GLU 48 CO -0.01 0.12 1.43 0.12 -0.49 0.00 0.00 175.26 176.43 1nnv s PHE 49 N 0.45 2.44 0.19 1.61 5.36 -1.26 -2.39 117.98 124.38 1nnv s PHE 49 Ca -0.14 0.73 0.02 0.00 -0.96 0.00 0.00 56.93 56.59 1nnv s PHE 49 Cb -0.16 -3.95 0.02 0.00 -0.34 0.00 0.00 43.02 38.60 1nnv s PHE 49 CO 0.05 -2.21 0.17 1.33 -1.46 0.00 0.00 175.22 173.10 1nnv n VAL 50 N 6.31 0.00 -4.03 3.12 0.24 0.31 -4.97 118.33 119.30 1nnv n VAL 50 Ca 0.16 -0.71 -0.17 0.00 -2.04 0.00 0.00 64.34 61.58 1nnv n VAL 50 Cb 0.46 -0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1nnv n VAL 50 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1nnv n GLU 51 N -1.05 1.12 -3.17 7.34 0.28 -1.26 -2.67 120.64 121.22 1nnv n GLU 51 Ca 0.01 -2.11 -0.24 0.00 -0.16 0.00 0.00 57.16 54.66 1nnv n GLU 51 Cb 0.21 0.37 -0.00 0.00 1.43 0.00 0.00 31.44 33.45 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 -1.81 4.65 0.00 3.84 2.01 -1.26 -4.43 115.64 118.63 1nnv s THR 52 Ca 0.11 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1nnv s THR 52 Cb -0.01 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1nnv s THR 52 CO 0.07 -0.49 0.00 0.00 -0.69 0.00 0.00 174.62 173.51 1nnv n ALA 53 N -1.93 0.00 -0.04 7.40 0.00 -1.26 -4.92 120.51 119.76 1nnv n ALA 53 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1nnv n ALA 53 Cb 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 1nnv n ALA 53 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nnv h ASP 54 N 0.00 0.24 0.00 0.00 3.58 -1.99 -3.40 116.42 114.85 1nnv h ASP 54 Ca 0.00 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.69 1nnv h ASP 54 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1nnv h ASP 54 CO 0.00 1.63 0.00 -0.90 -2.88 0.00 0.00 179.24 177.09 1nnv n ASP 55 N -4.00 0.00 -2.62 2.28 5.75 -1.26 -4.65 116.55 112.05 1nnv n ASP 55 Ca -0.29 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.15 1nnv n ASP 55 Cb 0.85 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.97 1nnv n ASP 55 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1nnv n TRP 56 N 0.00 3.13 -0.74 2.11 4.27 -1.26 -4.90 117.44 120.04 1nnv n TRP 56 Ca 0.00 -2.65 -0.27 0.00 -3.89 0.00 0.00 57.50 50.68 1nnv n TRP 56 Cb 0.00 -0.82 -0.04 0.00 -1.36 0.00 0.00 31.31 29.10 1nnv n TRP 56 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 1nnv n GLU 57 N -0.59 1.43 0.00 -2.67 0.28 -1.26 -2.90 120.64 114.93 1nnv n GLU 57 Ca 0.50 -1.41 0.00 0.00 -0.16 0.00 0.00 57.16 56.09 1nnv n GLU 57 Cb 0.49 -2.54 0.00 0.00 1.43 0.00 0.00 31.44 30.82 1nnv n GLU 57 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1nnv n GLU 58 N 5.52 0.00 0.01 3.44 2.13 -1.26 -4.53 120.64 125.95 1nnv n GLU 58 Ca 0.40 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.13 1nnv n GLU 58 Cb 0.22 -0.18 -0.07 0.00 0.27 0.00 0.00 31.44 31.68 1nnv n GLU 58 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1nnv h GLU 59 N 0.00 -0.13 0.00 5.31 4.39 -1.93 -3.32 114.58 118.89 1nnv h GLU 59 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1nnv h GLU 59 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1nnv h GLU 59 CO 0.00 0.30 -0.30 0.44 -1.16 0.00 0.00 179.01 178.29 1nnv n ILE 60 N -4.84 0.36 -2.66 3.13 -5.35 -1.26 -5.00 119.36 103.75 1nnv n ILE 60 Ca -0.06 -0.22 -0.05 0.00 -0.27 0.00 0.00 62.75 62.15 1nnv n ILE 60 Cb 0.24 -0.31 0.01 0.00 -1.74 0.00 0.00 39.64 37.84 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 1.36 -1.18 0.00 3.28 0.00 -1.25 -5.06 105.19 102.34 1nnv n GLY 61 Ca 0.05 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 -0.66 0.00 -1.74 1.61 0.24 -1.26 -4.97 118.33 111.55 1nnv n VAL 62 Ca 0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 1nnv n VAL 62 Cb 0.41 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 1nnv n VAL 62 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1nnv s LEU 63 N 0.00 4.40 -0.02 1.34 1.43 -1.26 -3.97 118.68 120.59 1nnv s LEU 63 Ca 0.00 2.74 -0.03 0.00 -1.03 0.00 0.00 54.13 55.81 1nnv s LEU 63 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1nnv s LEU 63 CO 0.00 -0.99 0.16 -0.63 0.23 0.00 0.00 176.35 175.12 1nnv s ILE 64 N 2.67 5.33 -0.32 -0.59 -1.09 -1.26 -5.00 121.20 120.93 1nnv s ILE 64 Ca 0.80 -0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1nnv s ILE 64 Cb -0.46 -3.46 0.13 0.00 -1.58 0.00 0.00 42.46 37.09 1nnv s ILE 64 CO 0.36 0.36 0.23 -1.81 -1.23 0.00 0.00 174.94 172.86 1nnv s ASP 65 N -1.80 2.51 0.97 3.58 1.01 -1.26 -4.82 116.67 116.86 1nnv s ASP 65 Ca 0.25 -1.43 -0.14 0.00 0.71 0.00 0.00 52.55 51.94 1nnv s ASP 65 Cb -0.12 0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.81 1nnv s ASP 65 CO 0.16 -0.36 0.11 -0.81 0.21 0.00 0.00 175.17 174.48 1nnv n PRO 66 N 4.78 -0.27 0.00 8.23 -0.04 -1.26 -2.82 135.00 143.63 1nnv n PRO 66 Ca 0.03 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1nnv n PRO 66 Cb 0.42 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1nnv n PRO 66 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nnv n GLU 67 N -0.75 0.00 -0.10 0.54 1.02 -1.26 -4.40 120.64 115.69 1nnv n GLU 67 Ca 0.04 0.00 0.26 0.00 -0.02 0.00 0.00 57.16 57.44 1nnv n GLU 67 Cb 0.55 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.68 1nnv n GLU 67 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nnv h GLU 68 N 0.00 0.00 -6.33 3.49 5.08 -1.92 -3.40 114.58 111.50 1nnv h GLU 68 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1nnv h GLU 68 Cb 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 1nnv h GLU 68 CO 0.00 0.00 -0.85 0.71 -1.00 0.00 0.00 179.01 177.87 1nnv s TYR 69 N -4.89 1.96 -0.11 4.33 2.02 -1.20 -0.60 117.35 118.85 1nnv s TYR 69 Ca -0.05 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.18 1nnv s TYR 69 Cb 0.20 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 1nnv s TYR 69 CO 0.71 0.16 0.16 0.00 -1.57 0.00 0.00 175.55 175.01 1nnv s ALA 70 N -0.93 3.87 -0.17 3.71 0.00 -0.68 -4.56 121.76 122.99 1nnv s ALA 70 Ca 0.09 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 1nnv s ALA 70 Cb -0.09 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1nnv s ALA 70 CO 0.03 0.61 0.03 -2.00 0.00 0.00 0.00 175.76 174.43 1nnv s GLU 71 N -1.06 3.86 -0.08 0.00 2.56 -1.09 -2.46 118.70 120.43 1nnv s GLU 71 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 54.97 54.72 1nnv s GLU 71 Cb -0.12 -3.10 0.02 0.00 2.00 0.00 0.00 34.13 32.92 1nnv s GLU 71 CO 0.05 0.25 -0.06 0.08 -0.56 0.00 0.00 175.26 175.02 1nnv s VAL 72 N 0.39 0.81 0.01 3.70 1.01 -0.13 0.11 120.40 126.30 1nnv s VAL 72 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1nnv s VAL 72 Cb -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1nnv s VAL 72 CO 0.01 0.32 0.04 0.26 0.00 0.00 0.00 175.10 175.72 1nnv s TRP 73 N 1.43 3.16 -0.30 5.22 0.52 -1.00 -0.21 118.94 127.75 1nnv s TRP 73 Ca -0.02 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.23 1nnv s TRP 73 Cb -0.13 -1.68 0.09 0.00 -1.15 0.00 0.00 33.47 30.60 1nnv s TRP 73 CO -0.04 0.50 0.06 0.08 0.02 0.00 0.00 176.95 177.57 1nnv s VAL 74 N -1.16 1.41 0.00 4.03 1.01 -0.40 -2.41 120.40 122.87 1nnv s VAL 74 Ca 0.22 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1nnv s VAL 74 Cb -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1nnv s VAL 74 CO 0.13 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1nnv n GLY 75 N 4.64 3.88 2.23 4.51 0.00 -1.17 0.17 105.19 119.44 1nnv n GLY 75 Ca -0.02 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1nnv n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nnv n LEU 76 N 0.00 0.92 -4.06 0.99 7.94 -1.01 -4.14 117.00 117.65 1nnv n LEU 76 Ca 0.00 -5.00 -0.24 0.00 -1.11 0.00 0.00 56.01 49.66 1nnv n LEU 76 Cb 0.00 0.64 0.11 0.00 0.53 0.00 0.00 43.42 44.71 1nnv n LEU 76 CO 0.00 2.26 -0.60 1.33 -1.11 0.00 0.00 177.39 179.27 1nnv n VAL 77 N 0.42 0.00 0.00 1.96 0.24 -1.17 -4.85 118.33 114.93 1nnv n VAL 77 Ca 0.25 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1nnv n VAL 77 Cb 0.63 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 1nnv n VAL 77 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1nnv n ASN 78 N 0.08 0.00 0.20 -1.34 0.23 -1.26 -4.62 115.26 108.55 1nnv n ASN 78 Ca 0.02 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.16 1nnv n ASN 78 Cb 0.47 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.39 1nnv n ASN 78 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1nnv h GLU 79 N 0.00 0.00 0.00 -3.83 5.08 -1.96 -3.42 114.58 110.45 1nnv h GLU 79 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nnv h GLU 79 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nnv h GLU 79 CO 0.00 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1nnv n GLN 80 N -3.18 0.00 0.00 2.33 10.64 -1.26 -5.08 117.38 120.83 1nnv n GLN 80 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1nnv n GLN 80 Cb 0.56 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.94 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 0.00 0.00 -4.57 2.61 5.68 -1.26 -5.09 116.55 113.92 1nnv n ASP 81 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.89 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 -1.61 -1.33 0.00 0.00 177.20 174.26 1nnv s GLU 82 N -0.41 2.82 0.59 0.11 2.02 -1.26 -4.80 118.70 117.77 1nnv s GLU 82 Ca 0.00 1.13 0.29 0.00 0.02 0.00 0.00 54.97 56.41 1nnv s GLU 82 Cb 0.00 -4.35 1.40 0.00 0.10 0.00 0.00 34.13 31.28 1nnv s GLU 82 CO 0.00 -2.47 1.80 0.00 0.02 0.00 0.00 175.26 174.61 1nnv h MET 83 N 15.01 0.00 0.00 1.61 -0.00 -1.92 -3.41 114.93 126.21 1nnv h MET 83 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1nnv h MET 83 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1nnv h MET 83 CO 1.13 0.00 0.00 -0.25 -0.00 0.00 0.00 176.91 177.79 1nnv n ASP 84 N -3.67 0.00 -3.66 -0.10 9.92 -1.26 -3.98 116.55 113.81 1nnv n ASP 84 Ca 0.12 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.29 1nnv n ASP 84 Cb 0.84 -0.34 -0.08 0.00 -0.64 0.00 0.00 41.12 40.90 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1nnv s ASP 85 N -0.95 -0.80 -0.15 -2.24 1.01 -1.26 -5.07 116.67 107.21 1nnv s ASP 85 Ca 0.00 1.31 -0.07 0.00 0.71 0.00 0.00 52.55 54.50 1nnv s ASP 85 Cb 0.00 1.20 -0.04 0.00 1.01 0.00 0.00 42.92 45.09 1nnv s ASP 85 CO 0.00 -0.22 0.11 0.54 0.21 0.00 0.00 175.17 175.80 1nnv s VAL 86 N 1.43 5.21 -0.08 -1.27 0.11 -1.26 -2.39 120.40 122.15 1nnv s VAL 86 Ca -0.09 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1nnv s VAL 86 Cb -0.06 -3.31 -0.25 0.00 -1.53 0.00 0.00 36.38 31.23 1nnv s VAL 86 CO -0.16 0.54 0.54 -0.26 -3.33 0.00 0.00 175.10 172.43 1nnv h PHE 87 N 5.79 0.31 -3.15 1.54 0.04 0.15 -3.45 116.94 118.17 1nnv h PHE 87 Ca -0.47 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.06 1nnv h PHE 87 Cb 1.19 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 39.23 1nnv h PHE 87 CO 0.66 1.45 0.12 0.00 -0.60 0.00 0.00 178.31 179.94 1nnv s ALA 88 N -2.58 -1.23 0.04 2.45 0.00 -1.00 -2.78 121.76 116.67 1nnv s ALA 88 Ca -0.14 0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.90 1nnv s ALA 88 Cb 0.07 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1nnv s ALA 88 CO 0.80 -0.82 -0.11 0.15 0.00 0.00 0.00 175.76 175.78 1nnv s LYS 89 N -3.83 0.75 -0.02 0.00 1.02 -0.71 -1.28 119.74 115.67 1nnv s LYS 89 Ca 0.06 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1nnv s LYS 89 Cb -0.02 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1nnv s LYS 89 CO -0.06 0.16 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.42 1nnv s PHE 90 N -1.00 0.67 -0.09 3.18 0.40 0.71 -1.96 117.98 119.89 1nnv s PHE 90 Ca -0.02 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 1nnv s PHE 90 Cb -0.08 -0.51 -0.00 0.00 0.51 0.00 0.00 43.02 42.94 1nnv s PHE 90 CO 0.01 -0.09 -0.24 -0.51 0.70 0.00 0.00 175.22 175.10 1nnv s LEU 91 N 0.31 2.06 -0.02 -0.37 1.43 -0.97 -0.95 118.68 120.17 1nnv s LEU 91 Ca -0.04 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 1nnv s LEU 91 Cb -0.08 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1nnv s LEU 91 CO -0.00 0.17 -0.08 0.27 0.23 0.00 0.00 176.35 176.94 1nnv s ILE 92 N 0.25 0.71 0.15 -0.59 -0.00 -1.03 -2.42 121.20 118.27 1nnv s ILE 92 Ca -0.16 -0.33 -0.31 0.00 -0.00 0.00 0.00 60.65 59.85 1nnv s ILE 92 Cb -0.17 -0.63 -0.10 0.00 -0.00 0.00 0.00 42.46 41.56 1nnv s ILE 92 CO 0.08 0.22 1.61 -0.55 -0.00 0.00 0.00 174.94 176.29 1nnv s SER 93 N 0.14 6.57 0.39 4.36 0.15 -1.00 -1.69 113.70 122.61 1nnv s SER 93 Ca -0.02 2.62 0.20 0.00 0.70 0.00 0.00 55.95 59.45 1nnv s SER 93 Cb -0.07 -2.59 0.70 0.00 -1.71 0.00 0.00 66.02 62.35 1nnv s SER 93 CO 0.00 -0.86 1.73 0.45 1.20 0.00 0.00 173.24 175.77 1nnv h HIS 94 N 7.17 0.00 -3.41 3.44 3.86 -1.15 -3.46 115.15 121.60 1nnv h HIS 94 Ca -0.43 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.24 1nnv h HIS 94 Cb 1.20 0.00 0.20 0.00 1.06 0.00 0.00 27.41 29.87 1nnv h HIS 94 CO 0.68 0.33 -0.39 0.54 0.86 0.00 0.00 177.93 179.95 1nnv n ARG 95 N -3.44 0.05 0.02 2.45 1.74 -1.26 -4.51 116.66 111.70 1nnv n ARG 95 Ca 0.00 0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.13 1nnv n ARG 95 Cb 0.50 -1.91 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1nnv n ARG 95 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1nnv h GLU 96 N -0.92 -0.13 -6.79 5.56 4.22 -1.88 -3.46 114.58 111.18 1nnv h GLU 96 Ca -0.45 0.01 -0.49 0.00 0.08 0.00 0.00 59.36 58.51 1nnv h GLU 96 Cb 1.32 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1nnv h GLU 96 CO 0.39 -0.09 0.12 -1.83 -2.18 0.00 0.00 179.01 175.43 1nnv s GLU 97 N -1.96 3.95 -0.05 1.92 -1.05 -1.26 -4.71 118.70 115.54 1nnv s GLU 97 Ca -0.02 0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 55.41 1nnv s GLU 97 Cb 0.00 -2.40 0.02 0.00 -0.44 0.00 0.00 34.13 31.31 1nnv s GLU 97 CO 0.06 0.08 0.08 -3.47 0.95 0.00 0.00 175.26 172.96 1nnv n ASP 98 N -0.67 -4.29 -4.03 0.83 2.03 -1.26 -5.00 116.55 104.16 1nnv n ASP 98 Ca 0.03 1.26 -0.27 0.00 0.52 0.00 0.00 54.79 56.34 1nnv n ASP 98 Cb 0.53 -3.38 -0.17 0.00 -0.72 0.00 0.00 41.12 37.39 1nnv n ASP 98 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1nnv s ARG 99 N -0.32 1.93 -0.05 -0.67 3.00 -1.26 -4.83 118.95 116.75 1nnv s ARG 99 Ca -0.09 -0.47 0.01 0.00 -1.00 0.00 0.00 55.73 54.19 1nnv s ARG 99 Cb 0.01 -1.65 -0.03 0.00 0.00 0.00 0.00 34.95 33.28 1nnv s ARG 99 CO 0.25 -0.04 -0.06 -1.21 0.00 0.00 0.00 175.30 174.23 1nnv s GLU 100 N 0.92 2.71 0.01 5.12 2.02 -1.26 -4.91 118.70 123.29 1nnv s GLU 100 Ca -0.09 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.33 1nnv s GLU 100 Cb -0.15 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 1nnv s GLU 100 CO 0.00 0.65 -0.07 -0.59 0.02 0.00 0.00 175.26 175.28 1nnv s PHE 101 N -0.87 0.58 -0.03 1.61 -0.71 -1.26 -2.37 117.98 114.94 1nnv s PHE 101 Ca 0.14 -0.18 -0.00 0.00 -1.04 0.00 0.00 56.93 55.84 1nnv s PHE 101 Cb -0.11 -0.37 0.03 0.00 -1.21 0.00 0.00 43.02 41.36 1nnv s PHE 101 CO 0.03 -0.02 0.02 -3.38 -1.34 0.00 0.00 175.22 170.53 1nnv s HIS 102 N -0.39 0.18 -0.07 3.49 -3.43 -1.01 -4.98 115.29 109.07 1nnv s HIS 102 Ca 0.00 0.08 0.03 0.00 -0.80 0.00 0.00 55.06 54.37 1nnv s HIS 102 Cb -0.04 -0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 30.72 1nnv s HIS 102 CO -0.00 -0.13 -0.16 0.54 -2.00 0.00 0.00 174.74 172.99 1nnv s VAL 103 N 1.25 2.88 -0.26 -5.38 0.11 -1.26 -2.29 120.40 115.45 1nnv s VAL 103 Ca -0.07 -0.77 -0.08 0.00 -2.93 0.00 0.00 61.98 58.13 1nnv s VAL 103 Cb -0.13 -2.14 -0.03 0.00 -1.53 0.00 0.00 36.38 32.55 1nnv s VAL 103 CO -0.03 0.57 0.09 0.27 -3.33 0.00 0.00 175.10 172.67 1nnv s ILE 104 N -0.34 4.44 0.06 7.04 -4.36 -0.83 -4.92 121.20 122.29 1nnv s ILE 104 Ca 0.03 -0.17 0.01 0.00 -0.26 0.00 0.00 60.65 60.25 1nnv s ILE 104 Cb -0.13 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1nnv s ILE 104 CO 0.02 0.30 0.16 0.26 0.24 0.00 0.00 174.94 175.92 1nnv s TRP 105 N 1.63 3.41 0.62 1.37 0.52 -1.26 -1.74 118.94 123.49 1nnv s TRP 105 Ca 0.06 0.21 -0.18 0.00 0.02 0.00 0.00 56.10 56.21 1nnv s TRP 105 Cb -0.15 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 1nnv s TRP 105 CO 0.05 0.57 1.22 0.21 0.02 0.00 0.00 176.95 179.02 1nnv s LYS 106 N -2.37 2.79 0.00 4.98 2.20 -1.12 -5.00 119.74 121.21 1nnv s LYS 106 Ca 0.32 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 1nnv s LYS 106 Cb -0.13 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1nnv s LYS 106 CO 0.24 -1.35 0.00 0.36 -0.36 0.00 0.00 175.35 174.24