#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 0.00 -2.58 1.12 -1.04 -1.26 -5.06 114.28 105.46 1nnv n THR 2 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1nnv n THR 2 Cb 0.00 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 1nnv n THR 2 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1nnv n THR 3 N -0.71 0.00 -0.05 12.58 5.66 -1.26 -5.11 114.28 125.40 1nnv n THR 3 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.91 1nnv n THR 3 Cb 0.03 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.77 1nnv n THR 3 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1nnv n GLU 4 N 0.00 0.20 -4.05 1.09 -0.58 -1.26 -4.99 120.64 111.05 1nnv n GLU 4 Ca 0.00 0.08 -0.35 0.00 -0.42 0.00 0.00 57.16 56.48 1nnv n GLU 4 Cb 0.00 -0.88 -0.12 0.00 -0.57 0.00 0.00 31.44 29.87 1nnv n GLU 4 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1nnv s ILE 5 N -2.18 4.11 -0.04 -3.67 1.01 -1.26 -5.00 121.20 114.18 1nnv s ILE 5 Ca -0.13 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.31 1nnv s ILE 5 Cb 0.05 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 1nnv s ILE 5 CO 0.17 0.43 -0.20 -0.75 0.00 0.00 0.00 174.94 174.58 1nnv s LYS 6 N 0.94 2.34 0.65 2.79 2.36 -1.26 -5.08 119.74 122.48 1nnv s LYS 6 Ca 0.02 -0.82 -0.01 0.00 -2.55 0.00 0.00 55.97 52.61 1nnv s LYS 6 Cb -0.14 -2.21 0.13 0.00 -1.05 0.00 0.00 37.83 34.55 1nnv s LYS 6 CO 0.02 0.57 0.89 0.36 1.55 0.00 0.00 175.35 178.74 1nnv n LYS 7 N 2.43 -0.09 -4.54 4.03 2.85 -1.26 -3.84 118.16 117.74 1nnv n LYS 7 Ca -0.17 -2.32 -0.32 0.00 -1.05 0.00 0.00 58.31 54.45 1nnv n LYS 7 Cb 0.52 -0.62 -0.11 0.00 -0.65 0.00 0.00 35.03 34.17 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 3.02 0.60 -5.58 1.43 -1.26 -5.01 118.68 111.87 1nnv s LEU 8 Ca 0.58 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 53.29 1nnv s LEU 8 Cb -0.03 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1nnv s LEU 8 CO 0.39 0.28 1.23 -1.81 0.23 0.00 0.00 176.35 176.67 1nnv s ASP 9 N -1.35 5.09 0.14 2.29 1.11 -1.26 -4.73 116.67 117.97 1nnv s ASP 9 Ca 0.16 2.46 -0.23 0.00 0.18 0.00 0.00 52.55 55.11 1nnv s ASP 9 Cb -0.11 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.29 1nnv s ASP 9 CO 0.06 -1.67 1.63 -0.65 1.18 0.00 0.00 175.17 175.73 1nnv h PRO 10 N 0.87 -0.26 -0.10 8.23 0.11 -1.99 0.39 132.00 139.24 1nnv h PRO 10 Ca -0.51 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1nnv h PRO 10 Cb 1.31 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1nnv h PRO 10 CO 0.55 -0.18 -0.55 -0.44 -0.21 0.00 0.00 178.00 177.17 1nnv h ASP 11 N -0.27 0.34 0.18 -2.05 5.19 -1.99 -2.45 116.42 115.37 1nnv h ASP 11 Ca 0.12 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1nnv h ASP 11 Cb 0.46 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1nnv h ASP 11 CO -0.35 0.82 -0.09 0.74 -3.12 0.00 0.00 179.24 177.24 1nnv h THR 12 N 0.24 0.92 -0.21 0.35 2.02 -1.74 0.29 112.91 114.78 1nnv h THR 12 Ca 0.00 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1nnv h THR 12 Cb 1.04 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1nnv h THR 12 CO 0.09 0.13 0.13 0.00 0.37 0.00 0.00 175.52 176.23 1nnv h ALA 13 N 0.23 0.26 -0.89 6.16 0.00 -0.28 -2.02 119.26 122.72 1nnv h ALA 13 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nnv h ALA 13 Cb 0.39 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1nnv h ALA 13 CO 0.04 -0.27 0.54 0.82 0.00 0.00 0.00 179.25 180.37 1nnv h ILE 14 N 0.27 1.24 0.31 0.00 2.04 -1.45 -1.38 117.51 118.54 1nnv h ILE 14 Ca 0.08 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1nnv h ILE 14 Cb -0.01 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 1nnv h ILE 14 CO -0.03 0.26 -0.29 -0.78 0.00 0.00 0.00 178.15 177.31 1nnv h ASP 15 N 1.22 -0.78 0.27 1.72 3.58 -0.53 0.41 116.42 122.31 1nnv h ASP 15 Ca 0.32 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 1nnv h ASP 15 Cb -0.05 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1nnv h ASP 15 CO -0.06 -0.42 -0.18 0.40 -2.88 0.00 0.00 179.24 176.10 1nnv h ILE 16 N -0.62 0.61 -0.97 2.25 2.04 -1.22 -2.50 117.51 117.10 1nnv h ILE 16 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1nnv h ILE 16 Cb 0.56 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1nnv h ILE 16 CO -0.05 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.72 1nnv h ALA 17 N 0.27 1.34 -0.35 1.87 0.00 -1.16 -2.09 119.26 119.15 1nnv h ALA 17 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1nnv h ALA 17 Cb 0.38 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1nnv h ALA 17 CO 0.01 0.41 -0.02 -0.92 0.00 0.00 0.00 179.25 178.74 1nnv h TYR 18 N 1.13 -0.05 -0.06 0.00 3.20 0.15 0.28 116.97 121.63 1nnv h TYR 18 Ca 0.42 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 1nnv h TYR 18 Cb 0.16 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1nnv h TYR 18 CO -0.01 -0.08 -0.16 0.22 -1.64 0.00 0.00 178.16 176.50 1nnv h ASP 19 N 0.08 0.09 0.77 -2.11 1.82 -0.99 -1.89 116.42 114.18 1nnv h ASP 19 Ca 0.17 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.69 1nnv h ASP 19 Cb 0.24 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1nnv h ASP 19 CO -0.30 0.26 -0.49 0.40 -1.61 0.00 0.00 179.24 177.50 1nnv h ILE 20 N 0.09 1.13 0.00 2.25 2.04 -0.41 -2.00 117.51 120.62 1nnv h ILE 20 Ca 0.02 -1.83 -0.14 0.00 1.00 0.00 0.00 64.86 63.91 1nnv h ILE 20 Cb 0.34 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1nnv h ILE 20 CO 0.02 0.48 -0.68 0.15 0.00 0.00 0.00 178.15 178.12 1nnv h PHE 21 N 0.00 0.00 0.11 1.37 3.57 -0.23 0.18 116.94 121.93 1nnv h PHE 21 Ca -0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.23 1nnv h PHE 21 Cb 1.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1nnv h PHE 21 CO 0.00 0.68 -1.21 1.25 -2.23 0.00 0.00 178.31 176.80 1nnv h LEU 22 N 0.00 0.35 0.08 0.59 5.85 -1.26 -2.67 115.31 118.25 1nnv h LEU 22 Ca -0.01 -0.38 -0.35 0.00 0.84 0.00 0.00 57.88 57.98 1nnv h LEU 22 Cb 1.39 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1nnv h LEU 22 CO 0.09 1.30 -2.03 -1.84 -0.34 0.00 0.00 178.44 175.62 1nnv n GLU 23 N -3.50 0.72 -0.04 1.25 0.28 -0.77 -4.50 120.64 114.08 1nnv n GLU 23 Ca -0.07 0.24 -0.13 0.00 -0.16 0.00 0.00 57.16 57.04 1nnv n GLU 23 Cb 1.01 -1.69 -0.11 0.00 1.43 0.00 0.00 31.44 32.08 1nnv n GLU 23 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1nnv h MET 24 N 0.04 -0.01 -5.14 3.44 2.86 -0.80 -3.43 114.93 111.88 1nnv h MET 24 Ca -0.42 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 56.81 1nnv h MET 24 Cb 2.02 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.62 1nnv h MET 24 CO 0.06 0.76 1.64 0.00 1.06 0.00 0.00 176.91 180.43 1nnv n ALA 25 N -2.53 0.60 -2.00 6.32 0.00 -1.01 -4.51 120.51 117.38 1nnv n ALA 25 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1nnv n ALA 25 Cb 0.38 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 6.19 1.89 0.24 0.00 0.00 -1.26 -4.93 105.19 107.32 1nnv n GLY 26 Ca 0.59 0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.81 1nnv n GLY 26 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nnv h GLU 27 N 0.00 0.46 0.00 1.61 4.11 -1.97 -2.47 114.58 116.31 1nnv h GLU 27 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 1nnv h GLU 27 Cb 0.00 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1nnv h GLU 27 CO 0.00 0.64 -0.06 -0.91 0.07 0.00 0.00 179.01 178.75 1nnv h ASN 28 N 0.42 0.00 -3.18 3.06 2.35 -1.95 -3.42 115.58 112.85 1nnv h ASN 28 Ca 0.07 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.25 1nnv h ASN 28 Cb 0.59 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 1nnv h ASN 28 CO 0.04 0.06 -0.28 -0.22 -1.65 0.00 0.00 177.43 175.38 1nnv s LEU 29 N -7.68 4.24 0.31 1.61 0.20 -0.93 -4.80 118.68 111.63 1nnv s LEU 29 Ca -0.04 0.62 -0.29 0.00 0.69 0.00 0.00 54.13 55.11 1nnv s LEU 29 Cb 0.14 -3.36 -0.11 0.00 -0.43 0.00 0.00 46.19 42.44 1nnv s LEU 29 CO 0.58 0.02 1.47 -1.81 -0.29 0.00 0.00 176.35 176.32 1nnv s ASP 30 N -2.50 6.52 0.06 3.68 1.11 -1.26 -4.82 116.67 119.46 1nnv s ASP 30 Ca 0.42 2.85 -0.18 0.00 0.18 0.00 0.00 52.55 55.82 1nnv s ASP 30 Cb -0.12 -2.64 -0.07 0.00 1.07 0.00 0.00 42.92 41.16 1nnv s ASP 30 CO 0.25 -0.77 1.29 -0.65 1.18 0.00 0.00 175.17 176.46 1nnv h PRO 31 N 4.17 -0.31 -0.88 8.23 0.11 -1.91 0.00 132.00 141.40 1nnv h PRO 31 Ca -0.48 0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.88 1nnv h PRO 31 Cb 1.23 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.28 1nnv h PRO 31 CO 0.72 -0.21 0.33 0.00 -0.21 0.00 0.00 178.00 178.64 1nnv h ALA 32 N -0.89 1.37 0.00 -0.75 0.00 -2.01 0.67 119.26 117.66 1nnv h ALA 32 Ca 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1nnv h ALA 32 Cb 0.37 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1nnv h ALA 32 CO -0.21 -0.39 -0.27 -0.44 0.00 0.00 0.00 179.25 177.94 1nnv h ASP 33 N 0.33 0.00 -0.16 0.00 5.19 -1.79 -2.63 116.42 117.36 1nnv h ASP 33 Ca 0.55 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.93 1nnv h ASP 33 Cb 1.08 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1nnv h ASP 33 CO -0.57 0.27 -0.03 0.40 -3.12 0.00 0.00 179.24 176.19 1nnv h ILE 34 N 0.00 1.28 0.75 0.35 2.04 0.23 -2.58 117.51 119.58 1nnv h ILE 34 Ca -0.00 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1nnv h ILE 34 Cb 0.51 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1nnv h ILE 34 CO 0.03 0.28 -0.46 0.25 0.00 0.00 0.00 178.15 178.25 1nnv h LEU 35 N 0.02 -1.17 -0.87 1.44 5.85 -1.16 -2.08 115.31 117.33 1nnv h LEU 35 Ca 0.04 0.06 0.23 0.00 0.84 0.00 0.00 57.88 59.05 1nnv h LEU 35 Cb 0.44 0.34 -0.14 0.00 0.37 0.00 0.00 40.66 41.68 1nnv h LEU 35 CO 0.01 -0.71 0.25 0.25 -0.34 0.00 0.00 178.44 177.90 1nnv h LEU 36 N -1.14 0.04 -1.87 2.25 5.85 -1.54 0.99 115.31 119.89 1nnv h LEU 36 Ca -0.10 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1nnv h LEU 36 Cb 0.91 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1nnv h LEU 36 CO 0.10 -0.13 -0.13 0.15 -0.34 0.00 0.00 178.44 178.09 1nnv h PHE 37 N 0.24 0.00 0.20 1.25 3.57 -1.24 0.43 116.94 121.39 1nnv h PHE 37 Ca 0.54 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.73 1nnv h PHE 37 Cb 1.07 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.84 1nnv h PHE 37 CO -0.25 0.13 -1.39 -0.91 -2.23 0.00 0.00 178.31 173.67 1nnv h ASN 38 N 0.00 0.69 0.21 0.41 -0.26 0.17 -3.36 115.58 113.44 1nnv h ASN 38 Ca -0.00 -0.74 -0.34 0.00 -0.56 0.00 0.00 56.30 54.66 1nnv h ASN 38 Cb 0.31 -0.22 0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1nnv h ASN 38 CO 0.02 1.57 -1.65 -0.07 -1.06 0.00 0.00 177.43 176.24 1nnv h LEU 39 N 0.12 0.69 -7.73 1.61 -0.00 -0.84 -3.44 115.31 105.73 1nnv h LEU 39 Ca -0.21 -0.93 -0.65 0.00 -0.00 0.00 0.00 57.88 56.09 1nnv h LEU 39 Cb 2.09 -0.22 -0.38 0.00 -0.00 0.00 0.00 40.66 42.14 1nnv h LEU 39 CO 0.25 1.76 -0.77 0.00 -0.00 0.00 0.00 178.44 179.68 1nnv s GLN 40 N -2.58 1.79 0.00 1.13 -2.07 0.15 -4.78 119.66 113.30 1nnv s GLN 40 Ca -0.14 -1.44 0.00 0.00 -1.82 0.00 0.00 55.36 51.97 1nnv s GLN 40 Cb 0.05 -2.88 0.00 0.00 -1.09 0.00 0.00 33.01 29.08 1nnv s GLN 40 CO 0.88 -0.72 0.00 0.34 -1.32 0.00 0.00 175.29 174.47 1nnv n PHE 41 N 4.44 0.00 0.27 9.60 7.35 -1.26 -4.24 117.46 133.63 1nnv n PHE 41 Ca -0.07 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.51 1nnv n PHE 41 Cb 0.42 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.20 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 -0.68 0.00 -4.13 4.57 -1.88 0.42 114.58 112.88 1nnv h GLU 42 Ca 0.00 0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1nnv h GLU 42 Cb 0.00 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1nnv h GLU 42 CO 0.00 -0.45 -0.42 1.05 -1.18 0.00 0.00 179.01 178.01 1nnv h GLU 43 N -0.86 0.00 -2.21 1.92 4.11 -1.94 -3.26 114.58 112.35 1nnv h GLU 43 Ca -0.07 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.77 1nnv h GLU 43 Cb 0.54 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.37 1nnv h GLU 43 CO 0.12 0.42 -0.67 0.54 0.07 0.00 0.00 179.01 179.48 1nnv n ARG 44 N -3.74 3.17 -3.36 1.06 1.74 -1.21 -4.76 116.66 109.56 1nnv n ARG 44 Ca -0.01 -4.77 -0.38 0.00 -0.77 0.00 0.00 57.85 51.92 1nnv n ARG 44 Cb 0.49 -2.22 -0.06 0.00 -1.02 0.00 0.00 32.46 29.66 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 -3.44 2.47 -0.04 -0.13 0.00 0.15 -2.39 107.32 103.93 1nnv s GLY 45 Ca 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 1nnv s GLY 45 CO -0.14 0.55 0.02 -0.32 0.00 0.00 0.00 173.10 173.21 1nnv s GLY 46 N -0.16 0.29 -0.44 0.20 0.00 -1.15 -4.17 107.32 101.89 1nnv s GLY 46 Ca 0.26 0.10 0.07 0.00 0.00 0.00 0.00 44.72 45.15 1nnv s GLY 46 CO 0.13 1.02 0.74 3.33 0.00 0.00 0.00 173.10 178.32 1nnv n VAL 47 N 4.81 -0.31 -2.73 1.40 0.24 -1.25 0.51 118.33 121.00 1nnv n VAL 47 Ca -0.13 -2.74 -0.42 0.00 -2.04 0.00 0.00 64.34 59.00 1nnv n VAL 47 Cb 0.50 -0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1nnv n VAL 47 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nnv s GLU 48 N -0.31 4.54 -0.81 7.34 0.41 -0.60 -4.86 118.70 124.42 1nnv s GLU 48 Ca 0.33 1.38 -0.20 0.00 -0.41 0.00 0.00 54.97 56.08 1nnv s GLU 48 Cb 0.21 -3.47 0.12 0.00 -1.78 0.00 0.00 34.13 29.21 1nnv s GLU 48 CO -0.17 -0.07 1.01 0.12 -0.49 0.00 0.00 175.26 175.66 1nnv s PHE 49 N 1.09 3.02 0.77 1.61 2.19 -1.26 -1.67 117.98 123.73 1nnv s PHE 49 Ca 0.51 -1.14 -0.03 0.00 0.33 0.00 0.00 56.93 56.59 1nnv s PHE 49 Cb -0.21 -4.22 0.15 0.00 -1.31 0.00 0.00 43.02 37.43 1nnv s PHE 49 CO 0.26 -1.48 1.06 0.14 1.83 0.00 0.00 175.22 177.04 1nnv s VAL 50 N 2.92 2.07 0.48 3.12 -7.23 0.90 -4.96 120.40 117.70 1nnv s VAL 50 Ca 0.26 -0.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.99 1nnv s VAL 50 Cb -0.11 -2.57 0.06 0.00 0.56 0.00 0.00 36.38 34.33 1nnv s VAL 50 CO -0.02 0.00 0.53 -0.62 -0.31 0.00 0.00 175.10 174.68 1nnv n GLU 51 N -3.02 0.73 -1.43 4.82 1.02 -1.26 -2.19 120.64 119.31 1nnv n GLU 51 Ca 0.16 -2.78 -0.30 0.00 -0.02 0.00 0.00 57.16 54.23 1nnv n GLU 51 Cb 0.60 0.03 0.11 0.00 -0.02 0.00 0.00 31.44 32.17 1nnv n GLU 51 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1nnv s THR 52 N -2.18 2.77 0.24 2.62 2.01 -1.25 -4.52 115.64 115.33 1nnv s THR 52 Ca 0.40 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1nnv s THR 52 Cb -0.03 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1nnv s THR 52 CO 0.26 -0.33 0.15 0.00 -0.69 0.00 0.00 174.62 174.01 1nnv s ALA 53 N -3.10 1.40 -0.06 7.40 0.00 -1.26 -4.65 121.76 121.49 1nnv s ALA 53 Ca 0.62 -1.78 0.14 0.00 0.00 0.00 0.00 51.96 50.94 1nnv s ALA 53 Cb -0.16 1.36 -0.20 0.00 0.00 0.00 0.00 23.12 24.12 1nnv s ALA 53 CO 0.55 -0.59 0.73 -0.44 0.00 0.00 0.00 175.76 176.01 1nnv h ASP 54 N 2.49 0.00 -0.40 0.00 3.32 -1.98 -3.37 116.42 116.47 1nnv h ASP 54 Ca -0.34 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.44 1nnv h ASP 54 Cb 1.25 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.70 1nnv h ASP 54 CO 0.51 0.87 0.06 0.47 -1.72 0.00 0.00 179.24 179.43 1nnv n ASP 55 N -3.00 5.85 -0.04 6.45 9.92 -1.26 -4.20 116.55 130.26 1nnv n ASP 55 Ca -0.14 -2.79 -0.21 0.00 -0.53 0.00 0.00 54.79 51.11 1nnv n ASP 55 Cb 0.98 -1.24 -0.13 0.00 -0.64 0.00 0.00 41.12 40.09 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 1.43 0.97 -0.59 1.24 7.02 -1.26 -4.56 117.44 121.69 1nnv n TRP 56 Ca 0.34 0.25 -0.26 0.00 -1.02 0.00 0.00 57.50 56.81 1nnv n TRP 56 Cb 0.67 -1.12 -0.04 0.00 -2.42 0.00 0.00 31.31 28.40 1nnv n TRP 56 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1nnv n GLU 57 N -3.67 0.97 0.00 -0.99 0.28 -1.24 -2.58 120.64 113.41 1nnv n GLU 57 Ca -0.35 -1.20 0.00 0.00 -0.16 0.00 0.00 57.16 55.44 1nnv n GLU 57 Cb 0.96 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 31.38 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1nnv n GLU 58 N 5.84 0.00 0.00 3.44 4.71 -1.26 -4.77 120.64 128.60 1nnv n GLU 58 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 1nnv n GLU 58 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.65 1nnv n GLU 58 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1nnv n GLU 59 N -2.32 0.00 0.24 3.49 0.00 -1.07 -4.26 120.64 116.73 1nnv n GLU 59 Ca 0.00 0.34 0.07 0.00 0.00 0.00 0.00 57.16 57.57 1nnv n GLU 59 Cb 0.00 -0.85 0.57 0.00 0.00 0.00 0.00 31.44 31.17 1nnv n GLU 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 1nnv h ILE 60 N 0.00 1.06 -0.54 3.84 3.07 -1.96 -3.46 117.51 119.51 1nnv h ILE 60 Ca 0.00 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1nnv h ILE 60 Cb 0.00 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 1nnv h ILE 60 CO 0.00 0.08 0.00 0.61 -1.05 0.00 0.00 178.15 177.79 1nnv n GLY 61 N -1.31 0.69 0.00 0.16 0.00 -1.26 -5.10 105.19 98.36 1nnv n GLY 61 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.55 0.00 -2.09 1.61 0.24 -1.26 -4.95 118.33 111.34 1nnv n VAL 62 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 1nnv n VAL 62 Cb 0.17 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.53 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 4.34 0.05 1.34 0.05 -1.26 -3.67 118.68 119.54 1nnv s LEU 63 Ca 0.00 2.68 0.07 0.00 0.05 0.00 0.00 54.13 56.94 1nnv s LEU 63 Cb 0.00 -3.75 -0.03 0.00 -2.05 0.00 0.00 46.19 40.37 1nnv s LEU 63 CO 0.00 -0.66 -0.20 -0.63 -0.55 0.00 0.00 176.35 174.31 1nnv s ILE 64 N -1.19 1.63 -0.11 1.48 -1.09 -1.26 -4.94 121.20 115.72 1nnv s ILE 64 Ca 0.52 -1.25 -0.30 0.00 -2.23 0.00 0.00 60.65 57.40 1nnv s ILE 64 Cb -0.39 -1.43 -0.03 0.00 -1.58 0.00 0.00 42.46 39.03 1nnv s ILE 64 CO 0.52 0.14 1.34 -1.81 -1.23 0.00 0.00 174.94 173.90 1nnv s ASP 65 N -1.30 6.90 0.83 3.58 1.01 -1.26 -4.90 116.67 121.53 1nnv s ASP 65 Ca 0.07 1.85 -0.11 0.00 0.71 0.00 0.00 52.55 55.07 1nnv s ASP 65 Cb -0.09 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.39 1nnv s ASP 65 CO 0.02 -0.76 1.09 -2.84 0.21 0.00 0.00 175.17 172.89 1nnv s PRO 66 N 3.30 1.81 -0.64 8.23 0.02 -1.26 -3.26 135.00 143.20 1nnv s PRO 66 Ca 0.59 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1nnv s PRO 66 Cb -0.25 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1nnv s PRO 66 CO 0.19 -1.91 0.00 -0.85 -0.33 0.00 0.00 177.00 174.10 1nnv n GLU 67 N -3.68 -1.53 -0.13 5.54 0.28 -1.26 -4.62 120.64 115.24 1nnv n GLU 67 Ca 0.08 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1nnv n GLU 67 Cb 0.54 -4.59 0.01 0.00 1.43 0.00 0.00 31.44 28.83 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 -1.75 0.35 -3.83 3.44 1.02 -1.20 -5.06 120.64 113.62 1nnv n GLU 68 Ca -0.07 -0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 56.14 1nnv n GLU 68 Cb 0.30 -0.59 -0.10 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.22 -0.09 -0.40 -0.32 1.51 -1.25 -4.01 117.35 112.57 1nnv s TYR 69 Ca 0.01 0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 56.01 1nnv s TYR 69 Cb 0.01 0.02 0.01 0.00 -0.11 0.00 0.00 41.96 41.90 1nnv s TYR 69 CO 0.00 -0.26 0.71 0.00 -1.11 0.00 0.00 175.55 174.88 1nnv s ALA 70 N -0.95 3.39 -0.27 3.71 0.00 0.39 -3.81 121.76 124.21 1nnv s ALA 70 Ca -0.10 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 1nnv s ALA 70 Cb -0.05 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1nnv s ALA 70 CO 0.02 -1.60 0.38 -2.00 0.00 0.00 0.00 175.76 172.56 1nnv s GLU 71 N 2.96 4.02 -0.07 0.00 -6.30 -0.93 -1.22 118.70 117.16 1nnv s GLU 71 Ca 0.27 0.05 0.06 0.00 -2.50 0.00 0.00 54.97 52.84 1nnv s GLU 71 Cb -0.14 -3.66 -0.01 0.00 0.00 0.00 0.00 34.13 30.33 1nnv s GLU 71 CO 0.18 -0.28 -0.24 0.08 0.02 0.00 0.00 175.26 175.02 1nnv s VAL 72 N 2.08 2.11 -0.19 3.70 1.01 0.13 -0.07 120.40 129.16 1nnv s VAL 72 Ca 0.15 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1nnv s VAL 72 Cb -0.16 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.48 1nnv s VAL 72 CO 0.10 0.57 -0.14 0.26 0.00 0.00 0.00 175.10 175.88 1nnv s TRP 73 N -0.08 2.57 -0.32 5.22 0.52 -0.67 0.12 118.94 126.30 1nnv s TRP 73 Ca -0.06 -1.61 -0.02 0.00 0.02 0.00 0.00 56.10 54.44 1nnv s TRP 73 Cb -0.14 -1.75 0.06 0.00 -1.15 0.00 0.00 33.47 30.49 1nnv s TRP 73 CO 0.05 -0.76 0.03 0.08 0.02 0.00 0.00 176.95 176.37 1nnv s VAL 74 N 1.35 3.00 0.00 4.03 1.01 -0.37 -1.56 120.40 127.86 1nnv s VAL 74 Ca 0.01 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1nnv s VAL 74 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1nnv s VAL 74 CO -0.10 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1nnv n GLY 75 N 4.60 4.66 2.73 4.51 0.00 0.18 -1.20 105.19 120.68 1nnv n GLY 75 Ca -0.11 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 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 0.70 0.49 0.99 1.02 0.17 -2.91 118.68 119.14 1nnv s LEU 76 Ca 0.00 0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.25 1nnv s LEU 76 Cb 0.00 -0.11 -0.01 0.00 0.02 0.00 0.00 46.19 46.09 1nnv s LEU 76 CO 0.00 -0.18 0.19 0.68 0.02 0.00 0.00 176.35 177.07 1nnv s VAL 77 N 1.52 1.69 0.00 -1.59 -7.23 -1.01 -4.26 120.40 109.53 1nnv s VAL 77 Ca -0.03 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1nnv s VAL 77 Cb -0.13 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1nnv s VAL 77 CO -0.03 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.35 1nnv n ASN 78 N -1.42 0.38 0.00 4.85 3.02 -1.26 -4.23 115.26 116.60 1nnv n ASN 78 Ca -0.07 -0.42 0.15 0.00 -0.03 0.00 0.00 54.58 54.21 1nnv n ASN 78 Cb 0.65 0.00 0.82 0.00 -0.61 0.00 0.00 39.78 40.64 1nnv n ASN 78 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1nnv n GLU 79 N -0.34 0.67 0.00 3.52 0.28 -1.26 -2.96 120.64 120.55 1nnv n GLU 79 Ca 0.00 0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.12 1nnv n GLU 79 Cb 0.00 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.40 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nnv n GLN 80 N -1.15 1.10 -2.37 3.44 10.64 -1.26 -5.04 117.38 122.73 1nnv n GLN 80 Ca 0.18 -0.89 -0.03 0.00 -1.83 0.00 0.00 57.00 54.43 1nnv n GLN 80 Cb 0.17 -1.48 -0.02 0.00 -0.86 0.00 0.00 30.24 28.05 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 -0.17 -2.99 0.00 2.61 9.92 -1.16 -5.09 116.55 119.67 1nnv n ASP 81 Ca 0.09 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 1nnv n ASP 81 Cb 0.45 -4.27 0.00 0.00 -0.64 0.00 0.00 41.12 36.65 1nnv n ASP 81 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1nnv n GLU 82 N 1.00 0.00 -2.66 -1.24 2.13 -1.26 -4.98 120.64 113.63 1nnv n GLU 82 Ca -0.20 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.59 1nnv n GLU 82 Cb 0.31 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.11 1nnv n GLU 82 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1nnv n MET 83 N 0.00 0.08 -0.01 5.31 0.00 -1.26 -4.84 117.12 116.40 1nnv n MET 83 Ca 0.00 -0.61 0.08 0.00 -0.00 0.00 0.00 57.70 57.18 1nnv n MET 83 Cb 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 33.22 33.23 1nnv n MET 83 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1nnv n ASP 84 N 0.32 2.42 -3.59 6.12 5.75 -1.26 -4.76 116.55 121.54 1nnv n ASP 84 Ca -0.11 -1.70 -0.28 0.00 -0.01 0.00 0.00 54.79 52.68 1nnv n ASP 84 Cb 0.74 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.70 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1nnv s ASP 85 N -1.38 3.01 -0.01 -1.12 1.01 -1.26 -5.09 116.67 111.83 1nnv s ASP 85 Ca 0.20 -2.82 -0.19 0.00 0.71 0.00 0.00 52.55 50.44 1nnv s ASP 85 Cb 0.14 -0.80 -0.05 0.00 1.01 0.00 0.00 42.92 43.21 1nnv s ASP 85 CO 0.21 -0.22 0.55 0.54 0.21 0.00 0.00 175.17 176.46 1nnv s VAL 86 N 0.18 4.94 -0.22 -1.27 0.11 -1.26 -0.66 120.40 122.22 1nnv s VAL 86 Ca 0.23 1.15 -0.20 0.00 -2.93 0.00 0.00 61.98 60.23 1nnv s VAL 86 Cb -0.13 -3.88 -0.18 0.00 -1.53 0.00 0.00 36.38 30.65 1nnv s VAL 86 CO -0.08 0.44 0.13 0.49 -3.33 0.00 0.00 175.10 172.75 1nnv n PHE 87 N 2.60 0.86 -3.77 1.54 3.01 -0.34 -4.88 117.46 116.49 1nnv n PHE 87 Ca -0.08 0.37 -0.13 0.00 1.01 0.00 0.00 57.45 58.62 1nnv n PHE 87 Cb 0.51 -1.09 -0.11 0.00 -0.01 0.00 0.00 39.48 38.78 1nnv n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nnv s ALA 88 N -2.39 -0.74 -0.12 4.37 0.00 -0.86 -3.14 121.76 118.88 1nnv s ALA 88 Ca -0.30 0.88 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 1nnv s ALA 88 Cb 0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1nnv s ALA 88 CO 0.58 -0.15 -0.10 0.15 0.00 0.00 0.00 175.76 176.24 1nnv s LYS 89 N 0.26 3.27 0.03 0.00 1.02 -0.70 -1.24 119.74 122.37 1nnv s LYS 89 Ca -0.01 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.39 1nnv s LYS 89 Cb -0.03 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1nnv s LYS 89 CO -0.01 0.33 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.65 1nnv s PHE 90 N 0.07 2.92 -0.27 3.18 0.40 0.33 0.42 117.98 125.04 1nnv s PHE 90 Ca -0.04 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1nnv s PHE 90 Cb -0.14 -1.59 0.08 0.00 0.51 0.00 0.00 43.02 41.87 1nnv s PHE 90 CO 0.04 0.41 0.01 -0.51 0.70 0.00 0.00 175.22 175.87 1nnv s LEU 91 N -1.66 2.75 -0.17 -0.37 1.43 -1.04 0.21 118.68 119.82 1nnv s LEU 91 Ca 0.19 -1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 51.81 1nnv s LEU 91 Cb -0.11 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 1nnv s LEU 91 CO 0.10 -0.32 -0.03 0.27 0.23 0.00 0.00 176.35 176.61 1nnv s ILE 92 N 1.41 3.83 -0.53 -0.59 -0.00 -0.36 -2.32 121.20 122.63 1nnv s ILE 92 Ca 0.02 -0.37 -0.26 0.00 -0.00 0.00 0.00 60.65 60.03 1nnv s ILE 92 Cb -0.18 -2.70 -0.05 0.00 -0.00 0.00 0.00 42.46 39.53 1nnv s ILE 92 CO -0.12 0.47 2.17 -0.44 -0.00 0.00 0.00 174.94 177.03 1nnv s SER 93 N 0.65 4.81 0.17 4.36 0.01 -0.99 -0.47 113.70 122.24 1nnv s SER 93 Ca -0.02 0.80 -0.21 0.00 1.31 0.00 0.00 55.95 57.83 1nnv s SER 93 Cb -0.14 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.64 1nnv s SER 93 CO 0.02 -2.65 1.32 1.41 0.41 0.00 0.00 173.24 173.76 1nnv n HIS 94 N 14.49 -0.18 -0.92 2.43 8.25 -1.26 -4.58 115.22 133.45 1nnv n HIS 94 Ca 0.30 1.06 -0.35 0.00 -0.26 0.00 0.00 57.72 58.46 1nnv n HIS 94 Cb 0.53 -0.69 0.07 0.00 1.12 0.00 0.00 29.99 31.03 1nnv n HIS 94 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1nnv n ARG 95 N -5.16 -0.24 -0.07 -0.41 0.63 -1.25 -4.81 116.66 105.35 1nnv n ARG 95 Ca 0.05 -0.06 -0.19 0.00 -0.92 0.00 0.00 57.85 56.73 1nnv n ARG 95 Cb 0.28 -1.28 -0.12 0.00 0.45 0.00 0.00 32.46 31.79 1nnv n ARG 95 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1nnv h GLU 96 N -1.25 0.05 -6.69 -0.14 4.11 -1.88 -3.46 114.58 105.32 1nnv h GLU 96 Ca -0.44 -0.09 -0.53 0.00 0.07 0.00 0.00 59.36 58.38 1nnv h GLU 96 Cb 1.32 0.03 0.05 0.00 0.50 0.00 0.00 28.75 30.65 1nnv h GLU 96 CO 0.27 1.04 0.77 -1.21 0.07 0.00 0.00 179.01 179.95 1nnv s GLU 97 N -2.34 4.27 0.14 1.06 2.02 -1.26 -4.45 118.70 118.14 1nnv s GLU 97 Ca -0.24 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1nnv s GLU 97 Cb 0.03 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1nnv s GLU 97 CO 0.66 -0.44 0.00 -0.25 0.02 0.00 0.00 175.26 175.25 1nnv n ASP 98 N 2.83 -8.73 -4.08 -0.19 9.92 -1.26 -4.93 116.55 110.10 1nnv n ASP 98 Ca 0.08 1.44 -0.35 0.00 -0.53 0.00 0.00 54.79 55.43 1nnv n ASP 98 Cb 0.40 -4.87 -0.11 0.00 -0.64 0.00 0.00 41.12 35.90 1nnv n ASP 98 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1nnv s ARG 99 N -0.76 2.31 -0.51 -1.24 6.06 -1.26 -4.86 118.95 118.68 1nnv s ARG 99 Ca 0.00 -2.32 -0.17 0.00 -2.50 0.00 0.00 55.73 50.74 1nnv s ARG 99 Cb 0.00 -3.63 0.09 0.00 0.06 0.00 0.00 34.95 31.47 1nnv s ARG 99 CO 0.00 -1.13 0.52 -1.21 -2.50 0.00 0.00 175.30 170.97 1nnv s GLU 100 N 0.28 3.02 -0.25 5.12 0.41 -1.26 -4.94 118.70 121.07 1nnv s GLU 100 Ca 0.14 -1.32 0.03 0.00 -0.41 0.00 0.00 54.97 53.41 1nnv s GLU 100 Cb -0.21 -4.18 0.06 0.00 -1.78 0.00 0.00 34.13 28.01 1nnv s GLU 100 CO -0.03 -1.21 -0.11 -0.59 -0.49 0.00 0.00 175.26 172.82 1nnv s PHE 101 N 2.01 3.17 -0.15 1.61 -0.71 -1.25 -2.35 117.98 120.31 1nnv s PHE 101 Ca 0.07 -2.23 -0.00 0.00 -1.04 0.00 0.00 56.93 53.73 1nnv s PHE 101 Cb -0.24 -1.91 0.03 0.00 -1.21 0.00 0.00 43.02 39.69 1nnv s PHE 101 CO 0.07 -0.87 -0.07 -3.38 -1.34 0.00 0.00 175.22 169.63 1nnv s HIS 102 N 1.13 1.69 0.10 3.49 -3.43 -0.98 -4.94 115.29 112.36 1nnv s HIS 102 Ca -0.08 -1.00 -0.02 0.00 -0.80 0.00 0.00 55.06 53.17 1nnv s HIS 102 Cb -0.19 -1.32 -0.05 0.00 -1.43 0.00 0.00 32.58 29.59 1nnv s HIS 102 CO -0.06 -0.59 0.28 0.54 -2.00 0.00 0.00 174.74 172.92 1nnv s VAL 103 N 1.64 5.29 -0.14 -5.38 0.11 -1.26 -2.50 120.40 118.17 1nnv s VAL 103 Ca 0.02 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1nnv s VAL 103 Cb -0.14 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1nnv s VAL 103 CO -0.08 0.08 -0.10 0.27 -3.33 0.00 0.00 175.10 171.94 1nnv s ILE 104 N -1.59 3.35 -0.14 7.04 -4.36 0.17 -4.93 121.20 120.74 1nnv s ILE 104 Ca 0.38 -0.56 -0.02 0.00 -0.26 0.00 0.00 60.65 60.19 1nnv s ILE 104 Cb -0.13 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 1nnv s ILE 104 CO 0.27 0.51 -0.09 0.26 0.24 0.00 0.00 174.94 176.13 1nnv s TRP 105 N 0.34 2.90 -0.02 1.37 0.52 -1.26 -1.72 118.94 121.06 1nnv s TRP 105 Ca -0.08 -0.50 -0.02 0.00 0.02 0.00 0.00 56.10 55.51 1nnv s TRP 105 Cb -0.15 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 1nnv s TRP 105 CO 0.05 -0.14 0.03 1.17 0.02 0.00 0.00 176.95 178.08 1nnv n LYS 106 N 3.52 -0.28 0.00 4.98 3.00 -1.19 -4.94 118.16 123.25 1nnv n LYS 106 Ca -0.18 0.64 0.14 0.00 -0.00 0.00 0.00 58.31 58.91 1nnv n LYS 106 Cb 0.53 -0.83 0.53 0.00 0.00 0.00 0.00 35.03 35.26 1nnv n LYS 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76