#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 4.14 -0.61 3.17 2.01 -1.26 -4.92 115.64 118.17 1nnv s THR 2 Ca 0.00 1.53 0.23 0.00 0.31 0.00 0.00 61.69 63.76 1nnv s THR 2 Cb 0.00 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 1nnv s THR 2 CO 0.00 0.11 1.05 0.35 -0.69 0.00 0.00 174.62 175.45 1nnv n THR 3 N 3.96 0.19 -1.20 -0.82 -2.24 -1.26 -4.96 114.28 107.95 1nnv n THR 3 Ca 0.09 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1nnv n THR 3 Cb 0.47 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1nnv n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nnv n GLU 4 N -1.98 -0.14 -4.40 -0.78 -0.58 -1.26 -5.03 120.64 106.46 1nnv n GLU 4 Ca 0.02 0.50 -0.24 0.00 -0.42 0.00 0.00 57.16 57.01 1nnv n GLU 4 Cb 0.44 -4.08 -0.17 0.00 -0.57 0.00 0.00 31.44 27.06 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 -2.07 1.02 0.19 -3.67 -1.09 -1.26 -5.10 121.20 109.21 1nnv s ILE 5 Ca 0.00 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 1nnv s ILE 5 Cb 0.00 -0.96 -0.05 0.00 -1.58 0.00 0.00 42.46 39.87 1nnv s ILE 5 CO 0.00 0.34 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.42 1nnv s LYS 6 N 0.89 1.21 0.18 2.79 1.02 -1.26 -5.15 119.74 119.41 1nnv s LYS 6 Ca -0.11 -1.55 0.02 0.00 0.02 0.00 0.00 55.97 54.36 1nnv s LYS 6 Cb -0.15 -0.76 0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1nnv s LYS 6 CO 0.01 0.06 0.25 1.63 -0.92 0.00 0.00 175.35 176.38 1nnv n LYS 7 N -0.31 0.78 -4.18 1.68 5.02 -1.26 -4.46 118.16 115.42 1nnv n LYS 7 Ca -0.08 -0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 54.98 1nnv n LYS 7 Cb 0.61 -0.10 -0.08 0.00 -0.02 0.00 0.00 35.03 35.45 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 3.81 0.63 -0.35 1.43 -1.26 -5.05 118.68 117.89 1nnv s LEU 8 Ca 0.18 0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1nnv s LEU 8 Cb -0.01 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1nnv s LEU 8 CO 0.12 0.32 0.86 0.47 0.23 0.00 0.00 176.35 178.35 1nnv n ASP 9 N 1.59 0.26 0.01 2.29 9.92 -1.26 -4.61 116.55 124.75 1nnv n ASP 9 Ca -0.16 0.74 -0.10 0.00 -0.53 0.00 0.00 54.79 54.74 1nnv n ASP 9 Cb 0.53 -1.35 -0.05 0.00 -0.64 0.00 0.00 41.12 39.62 1nnv n ASP 9 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nnv h PRO 10 N 0.21 -0.02 0.00 -0.24 0.13 -1.99 0.50 132.00 130.59 1nnv h PRO 10 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1nnv h PRO 10 Cb 1.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1nnv h PRO 10 CO 0.49 -0.01 -0.13 0.22 -0.23 0.00 0.00 178.00 178.33 1nnv h ASP 11 N -0.02 0.00 0.02 1.44 3.58 -1.99 -2.58 116.42 116.87 1nnv h ASP 11 Ca 0.05 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1nnv h ASP 11 Cb 0.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1nnv h ASP 11 CO -0.10 0.13 -0.42 0.74 -2.88 0.00 0.00 179.24 176.70 1nnv h THR 12 N 0.00 1.54 -0.50 2.25 2.02 -1.74 -2.58 112.91 113.90 1nnv h THR 12 Ca -0.00 -2.33 -0.04 0.00 0.77 0.00 0.00 66.41 64.80 1nnv h THR 12 Cb 0.76 3.09 -0.02 0.00 -1.74 0.00 0.00 68.15 70.23 1nnv h THR 12 CO 0.02 0.56 0.14 0.00 0.37 0.00 0.00 175.52 176.61 1nnv h ALA 13 N -0.10 1.31 0.30 6.16 0.00 -0.07 -2.56 119.26 124.30 1nnv h ALA 13 Ca -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1nnv h ALA 13 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1nnv h ALA 13 CO -0.03 0.49 -0.14 0.82 0.00 0.00 0.00 179.25 180.39 1nnv h ILE 14 N 0.73 0.37 -0.80 0.00 2.04 -1.60 -2.32 117.51 115.92 1nnv h ILE 14 Ca 0.17 -0.81 0.18 0.00 1.00 0.00 0.00 64.86 65.39 1nnv h ILE 14 Cb 0.24 0.61 -0.15 0.00 -0.74 0.00 0.00 36.82 36.78 1nnv h ILE 14 CO -0.01 0.09 -0.07 -0.78 0.00 0.00 0.00 178.15 177.39 1nnv h ASP 15 N -1.01 -0.51 -0.27 1.72 3.58 -1.44 1.06 116.42 119.54 1nnv h ASP 15 Ca -0.04 0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.58 1nnv h ASP 15 Cb 0.46 0.42 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1nnv h ASP 15 CO 0.07 -0.23 -0.03 0.16 -2.88 0.00 0.00 179.24 176.33 1nnv h ILE 16 N 0.05 1.27 -0.54 2.25 -0.00 -1.55 -2.73 117.51 116.26 1nnv h ILE 16 Ca 0.42 -0.99 -0.04 0.00 -0.00 0.00 0.00 64.86 64.25 1nnv h ILE 16 Cb 0.73 1.37 -0.03 0.00 -0.00 0.00 0.00 36.82 38.90 1nnv h ILE 16 CO -0.76 0.31 0.16 0.00 -0.00 0.00 0.00 178.15 177.87 1nnv h ALA 17 N 0.80 1.27 -0.74 0.16 0.00 -0.39 -1.79 119.26 118.57 1nnv h ALA 17 Ca 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1nnv h ALA 17 Cb 0.47 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1nnv h ALA 17 CO 0.02 0.52 0.48 -0.92 0.00 0.00 0.00 179.25 179.35 1nnv h TYR 18 N 0.78 0.78 0.00 0.00 5.03 0.13 0.85 116.97 124.54 1nnv h TYR 18 Ca 0.18 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.41 1nnv h TYR 18 Cb 0.24 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1nnv h TYR 18 CO 0.01 0.41 -0.45 -0.44 -1.32 0.00 0.00 178.16 176.38 1nnv h ASP 19 N 0.77 0.00 0.45 -2.11 5.19 -1.03 -2.56 116.42 117.12 1nnv h ASP 19 Ca 0.32 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.55 1nnv h ASP 19 Cb 0.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1nnv h ASP 19 CO -0.11 0.45 -0.75 0.40 -3.12 0.00 0.00 179.24 176.11 1nnv h ILE 20 N 0.00 1.43 0.00 0.35 2.04 -0.51 -2.16 117.51 118.66 1nnv h ILE 20 Ca -0.00 -2.30 -0.07 0.00 1.00 0.00 0.00 64.86 63.49 1nnv h ILE 20 Cb 0.96 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1nnv h ILE 20 CO 0.06 0.68 -0.33 0.15 0.00 0.00 0.00 178.15 178.70 1nnv h PHE 21 N 0.16 0.00 0.08 1.37 3.57 -1.21 0.22 116.94 121.13 1nnv h PHE 21 Ca -0.03 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.22 1nnv h PHE 21 Cb 1.32 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1nnv h PHE 21 CO 0.03 0.33 -1.18 1.25 -2.23 0.00 0.00 178.31 176.51 1nnv h LEU 22 N 0.00 0.28 0.02 0.59 5.85 -1.35 -2.59 115.31 118.11 1nnv h LEU 22 Ca -0.00 -0.30 -0.36 0.00 0.84 0.00 0.00 57.88 58.06 1nnv h LEU 22 Cb 1.17 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1nnv h LEU 22 CO 0.04 1.24 -2.20 -1.84 -0.34 0.00 0.00 178.44 175.35 1nnv n GLU 23 N -3.46 0.68 -0.08 1.25 0.28 -0.82 -4.60 120.64 113.88 1nnv n GLU 23 Ca -0.06 0.15 -0.15 0.00 -0.16 0.00 0.00 57.16 56.93 1nnv n GLU 23 Cb 1.00 -1.61 -0.11 0.00 1.43 0.00 0.00 31.44 32.14 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 0.01 0.00 -6.69 3.44 2.86 -0.72 -3.47 114.93 110.36 1nnv h MET 24 Ca -0.48 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.59 1nnv h MET 24 Cb 2.07 0.00 0.10 0.00 0.06 0.00 0.00 31.60 33.83 1nnv h MET 24 CO 0.02 0.91 0.51 0.00 1.06 0.00 0.00 176.91 179.41 1nnv n ALA 25 N -2.88 1.17 0.00 6.32 0.00 -0.98 -3.94 120.51 120.20 1nnv n ALA 25 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1nnv n ALA 25 Cb 0.50 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 1.13 1.77 0.57 0.00 0.00 -1.26 -4.85 105.19 102.55 1nnv n GLY 26 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.49 0.00 0.02 1.61 1.02 -1.25 -4.99 120.64 116.55 1nnv n GLU 27 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1nnv n GLU 27 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1nnv n GLU 27 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1nnv h ASN 28 N 0.00 -0.15 -3.35 1.62 4.21 -1.93 -3.47 115.58 112.52 1nnv h ASN 28 Ca 0.00 -0.21 -0.41 0.00 1.21 0.00 0.00 56.30 56.89 1nnv h ASN 28 Cb 0.00 0.04 0.20 0.00 -1.12 0.00 0.00 38.32 37.44 1nnv h ASN 28 CO 0.00 0.41 0.03 -0.22 -1.29 0.00 0.00 177.43 176.37 1nnv s LEU 29 N -8.74 0.26 0.55 1.61 0.20 -1.26 -4.76 118.68 106.54 1nnv s LEU 29 Ca -0.07 0.97 -0.17 0.00 0.69 0.00 0.00 54.13 55.55 1nnv s LEU 29 Cb -0.00 -2.71 -0.06 0.00 -0.43 0.00 0.00 46.19 42.99 1nnv s LEU 29 CO 0.25 -4.41 1.04 -0.62 -0.29 0.00 0.00 176.35 172.31 1nnv s ASP 30 N -3.28 6.10 0.09 3.68 2.15 -1.26 -4.89 116.67 119.26 1nnv s ASP 30 Ca 0.69 1.78 -0.33 0.00 0.43 0.00 0.00 52.55 55.12 1nnv s ASP 30 Cb -0.16 -2.53 -0.15 0.00 -0.30 0.00 0.00 42.92 39.78 1nnv s ASP 30 CO 0.59 -0.95 1.59 -0.65 -0.17 0.00 0.00 175.17 175.58 1nnv h PRO 31 N 0.78 -0.84 -0.84 4.34 0.11 -1.96 -2.76 132.00 130.84 1nnv h PRO 31 Ca -0.47 0.06 0.21 0.00 0.11 0.00 0.00 66.00 65.90 1nnv h PRO 31 Cb 1.21 0.19 -0.14 0.00 0.11 0.00 0.00 31.00 32.37 1nnv h PRO 31 CO 0.59 -0.56 0.09 0.00 -0.21 0.00 0.00 178.00 177.91 1nnv h ALA 32 N -0.55 1.03 0.00 -0.75 0.00 -2.01 0.86 119.26 117.84 1nnv h ALA 32 Ca -0.04 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1nnv h ALA 32 Cb 0.77 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nnv h ALA 32 CO -0.05 -0.46 -0.09 -0.44 0.00 0.00 0.00 179.25 178.20 1nnv h ASP 33 N 0.13 0.00 -0.07 0.00 3.32 -1.91 -2.55 116.42 115.34 1nnv h ASP 33 Ca 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.52 1nnv h ASP 33 Cb 0.95 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1nnv h ASP 33 CO -0.71 0.09 -0.05 0.40 -1.72 0.00 0.00 179.24 177.26 1nnv h ILE 34 N 0.00 1.34 0.59 0.35 2.04 0.10 -2.61 117.51 119.33 1nnv h ILE 34 Ca -0.00 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1nnv h ILE 34 Cb 0.19 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1nnv h ILE 34 CO 0.01 0.31 -0.38 0.25 0.00 0.00 0.00 178.15 178.34 1nnv h LEU 35 N -0.25 -0.98 -0.88 1.44 5.85 -1.08 -1.90 115.31 117.51 1nnv h LEU 35 Ca 0.01 0.06 0.23 0.00 0.84 0.00 0.00 57.88 59.03 1nnv h LEU 35 Cb 0.52 0.29 -0.15 0.00 0.37 0.00 0.00 40.66 41.69 1nnv h LEU 35 CO 0.01 -0.58 0.17 0.25 -0.34 0.00 0.00 178.44 177.95 1nnv h LEU 36 N -0.92 -0.13 -1.43 2.25 5.85 -1.57 0.89 115.31 120.26 1nnv h LEU 36 Ca -0.08 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1nnv h LEU 36 Cb 0.75 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1nnv h LEU 36 CO 0.07 -0.20 0.39 0.15 -0.34 0.00 0.00 178.44 178.51 1nnv h PHE 37 N 0.15 0.73 0.20 1.25 3.57 -1.22 0.32 116.94 121.95 1nnv h PHE 37 Ca 0.54 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 1nnv h PHE 37 Cb 1.10 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1nnv h PHE 37 CO -0.32 0.46 -0.09 -0.91 -2.23 0.00 0.00 178.31 175.21 1nnv h ASN 38 N 0.79 -0.22 -0.56 0.41 4.21 0.16 -3.28 115.58 117.09 1nnv h ASN 38 Ca 0.22 -0.27 -0.05 0.00 1.21 0.00 0.00 56.30 57.40 1nnv h ASN 38 Cb -0.08 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 1nnv h ASN 38 CO -0.05 0.19 0.14 -0.07 -1.29 0.00 0.00 177.43 176.35 1nnv h LEU 39 N -0.69 0.84 0.00 1.61 -0.00 -1.01 -3.44 115.31 112.62 1nnv h LEU 39 Ca -0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1nnv h LEU 39 Cb 0.48 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1nnv h LEU 39 CO 0.04 0.85 0.00 0.00 -0.00 0.00 0.00 178.44 179.33 1nnv n GLN 40 N -4.41 2.64 0.00 1.13 1.13 0.11 -4.65 117.38 113.34 1nnv n GLN 40 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1nnv n GLN 40 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.58 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 -0.20 1.08 7.35 -1.24 -4.29 117.46 120.15 1nnv n PHE 41 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1nnv n PHE 41 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 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 0.87 0.02 -4.13 4.81 -1.87 0.85 114.58 115.12 1nnv h GLU 42 Ca 0.00 -0.17 -0.19 0.00 -0.13 0.00 0.00 59.36 58.87 1nnv h GLU 42 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1nnv h GLU 42 CO 0.00 0.76 -1.03 0.93 -0.73 0.00 0.00 179.01 178.94 1nnv h GLU 43 N 0.80 0.04 -2.30 1.92 5.08 -1.87 -3.41 114.58 114.84 1nnv h GLU 43 Ca 0.19 -0.06 -0.63 0.00 -1.00 0.00 0.00 59.36 57.86 1nnv h GLU 43 Cb 0.23 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 29.10 1nnv h GLU 43 CO -0.01 1.03 -0.37 0.54 -1.00 0.00 0.00 179.01 179.19 1nnv n ARG 44 N -4.38 3.12 -3.02 2.33 3.00 -1.24 -4.99 116.66 111.48 1nnv n ARG 44 Ca -0.27 -4.73 -0.40 0.00 -0.01 0.00 0.00 57.85 52.45 1nnv n ARG 44 Cb 0.68 -2.29 -0.05 0.00 0.00 0.00 0.00 32.46 30.79 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 -2.66 2.74 -0.14 -0.13 0.00 0.29 -3.46 107.32 103.96 1nnv s GLY 45 Ca 0.42 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.35 1nnv s GLY 45 CO -0.05 1.06 -0.01 -0.32 0.00 0.00 0.00 173.10 173.79 1nnv s GLY 46 N 0.04 0.71 -0.44 0.20 0.00 -1.07 -3.98 107.32 102.78 1nnv s GLY 46 Ca 0.37 -0.54 0.07 0.00 0.00 0.00 0.00 44.72 44.62 1nnv s GLY 46 CO 0.22 1.16 0.78 3.33 0.00 0.00 0.00 173.10 178.58 1nnv n VAL 47 N 5.03 -0.25 -3.01 1.40 0.24 -1.25 0.14 118.33 120.63 1nnv n VAL 47 Ca -0.09 -2.60 -0.40 0.00 -2.04 0.00 0.00 64.34 59.21 1nnv n VAL 47 Cb 0.48 0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 1nnv n VAL 47 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1nnv s GLU 48 N -0.24 4.49 -0.92 7.34 2.56 -1.02 -4.86 118.70 126.05 1nnv s GLU 48 Ca 0.33 1.06 -0.18 0.00 0.00 0.00 0.00 54.97 56.18 1nnv s GLU 48 Cb 0.23 -3.32 0.15 0.00 2.00 0.00 0.00 34.13 33.18 1nnv s GLU 48 CO -0.17 0.39 1.09 0.12 -0.56 0.00 0.00 175.26 176.13 1nnv s PHE 49 N -0.45 3.23 0.69 5.30 5.36 -1.26 -0.98 117.98 129.86 1nnv s PHE 49 Ca 0.37 -1.50 -0.03 0.00 -0.96 0.00 0.00 56.93 54.81 1nnv s PHE 49 Cb -0.21 -4.22 0.09 0.00 -0.34 0.00 0.00 43.02 38.34 1nnv s PHE 49 CO 0.23 -1.41 0.96 0.14 -1.46 0.00 0.00 175.22 173.68 1nnv s VAL 50 N 2.28 2.31 0.29 3.12 -7.23 0.10 -4.98 120.40 116.29 1nnv s VAL 50 Ca 0.31 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 60.00 1nnv s VAL 50 Cb -0.05 -2.82 0.06 0.00 0.56 0.00 0.00 36.38 34.12 1nnv s VAL 50 CO -0.09 0.00 0.40 -1.84 -0.31 0.00 0.00 175.10 173.25 1nnv n GLU 51 N -2.79 0.41 -2.70 4.82 0.00 -1.26 -2.60 120.64 116.51 1nnv n GLU 51 Ca 0.11 -1.14 -0.24 0.00 0.00 0.00 0.00 57.16 55.89 1nnv n GLU 51 Cb 0.60 -0.24 0.02 0.00 0.00 0.00 0.00 31.44 31.82 1nnv n GLU 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1nnv s THR 52 N -1.01 3.71 0.31 3.84 2.01 -1.25 -4.42 115.64 118.82 1nnv s THR 52 Ca 0.27 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.05 1nnv s THR 52 Cb -0.02 -3.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 1nnv s THR 52 CO 0.18 -0.35 -0.10 0.00 -0.69 0.00 0.00 174.62 173.66 1nnv s ALA 53 N -2.76 2.67 -0.05 7.40 0.00 -1.26 -4.53 121.76 123.23 1nnv s ALA 53 Ca 0.52 -1.98 0.09 0.00 0.00 0.00 0.00 51.96 50.58 1nnv s ALA 53 Cb -0.10 0.01 -0.24 0.00 0.00 0.00 0.00 23.12 22.80 1nnv s ALA 53 CO 0.41 0.05 0.63 -0.44 0.00 0.00 0.00 175.76 176.40 1nnv h ASP 54 N 2.16 0.08 -0.93 0.00 5.19 -1.98 -3.37 116.42 117.58 1nnv h ASP 54 Ca -0.41 -0.18 -0.53 0.00 -0.62 0.00 0.00 57.03 55.29 1nnv h ASP 54 Cb 1.24 -0.03 -0.22 0.00 0.18 0.00 0.00 39.33 40.51 1nnv h ASP 54 CO 0.68 1.16 0.66 0.47 -3.12 0.00 0.00 179.24 179.09 1nnv n ASP 55 N -3.14 7.07 0.21 6.45 8.00 -1.26 -4.53 116.55 129.36 1nnv n ASP 55 Ca -0.19 -3.45 0.06 0.00 0.71 0.00 0.00 54.79 51.93 1nnv n ASP 55 Cb 1.05 -1.05 0.48 0.00 -0.02 0.00 0.00 41.12 41.58 1nnv n ASP 55 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1nnv h TRP 56 N 2.06 0.00 0.00 1.24 4.06 -1.84 -3.37 115.95 118.09 1nnv h TRP 56 Ca 0.46 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.96 1nnv h TRP 56 Cb 0.75 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.01 1nnv h TRP 56 CO 1.18 0.27 1.35 -0.85 -3.56 0.00 0.00 178.44 176.83 1nnv n GLU 57 N -3.92 0.11 0.10 0.49 -0.00 -1.24 -2.87 120.64 113.31 1nnv n GLU 57 Ca -0.02 -0.93 0.00 0.00 -0.00 0.00 0.00 57.16 56.22 1nnv n GLU 57 Cb 0.35 -2.40 0.00 0.00 -0.00 0.00 0.00 31.44 29.39 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 7.14 0.00 -0.01 3.44 1.02 -1.26 -4.78 120.64 126.19 1nnv n GLU 58 Ca 0.35 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1nnv n GLU 58 Cb 0.31 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.73 1nnv n GLU 58 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nnv h GLU 59 N 0.00 0.00 -0.12 3.49 3.07 -1.85 -3.39 114.58 115.79 1nnv h GLU 59 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 1nnv h GLU 59 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1nnv h GLU 59 CO 0.00 0.00 -0.57 -0.84 -1.40 0.00 0.00 179.01 176.20 1nnv h ILE 60 N -0.21 1.35 -0.56 3.13 3.07 -1.96 -3.48 117.51 118.85 1nnv h ILE 60 Ca 0.00 -1.87 0.00 0.00 1.55 0.00 0.00 64.86 64.54 1nnv h ILE 60 Cb 0.00 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1nnv h ILE 60 CO 0.00 0.57 0.00 0.61 -1.05 0.00 0.00 178.15 178.28 1nnv n GLY 61 N 0.23 0.54 0.00 0.16 0.00 -1.26 -5.10 105.19 99.76 1nnv n GLY 61 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.34 0.00 -2.03 1.61 3.14 -1.26 -4.93 118.33 114.51 1nnv n VAL 62 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 1nnv n VAL 62 Cb 0.15 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.90 1nnv n VAL 62 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1nnv s LEU 63 N 0.00 4.39 0.08 6.55 1.43 -1.26 -3.65 118.68 126.21 1nnv s LEU 63 Ca 0.00 2.65 0.09 0.00 -1.03 0.00 0.00 54.13 55.85 1nnv s LEU 63 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1nnv s LEU 63 CO 0.00 -0.68 -0.25 -0.63 0.23 0.00 0.00 176.35 175.02 1nnv s ILE 64 N -0.07 2.08 -0.39 -0.59 -1.09 -1.26 -4.96 121.20 114.91 1nnv s ILE 64 Ca 0.58 -1.49 -0.28 0.00 -2.23 0.00 0.00 60.65 57.23 1nnv s ILE 64 Cb -0.41 -1.81 -0.00 0.00 -1.58 0.00 0.00 42.46 38.66 1nnv s ILE 64 CO 0.44 0.22 1.61 -1.81 -1.23 0.00 0.00 174.94 174.17 1nnv s ASP 65 N -1.54 6.08 0.70 3.58 1.11 -1.26 -4.65 116.67 120.70 1nnv s ASP 65 Ca 0.11 1.01 -0.16 0.00 0.18 0.00 0.00 52.55 53.69 1nnv s ASP 65 Cb -0.10 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.38 1nnv s ASP 65 CO 0.03 -1.61 1.21 -2.16 1.18 0.00 0.00 175.17 173.83 1nnv s PRO 66 N 5.37 2.31 0.00 8.23 0.04 -1.26 -2.41 135.00 147.27 1nnv s PRO 66 Ca 0.70 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1nnv s PRO 66 Cb -0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1nnv s PRO 66 CO 0.32 -1.71 0.00 0.39 0.04 0.00 0.00 177.00 176.04 1nnv n GLU 67 N -2.49 -1.22 -0.18 4.56 1.02 -1.26 -4.70 120.64 116.36 1nnv n GLU 67 Ca 0.14 0.31 0.04 0.00 -0.02 0.00 0.00 57.16 57.62 1nnv n GLU 67 Cb 0.50 -4.58 0.06 0.00 -0.02 0.00 0.00 31.44 27.40 1nnv n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 68 N -0.27 1.03 -3.74 3.49 1.02 -1.01 -4.98 120.64 116.18 1nnv n GLU 68 Ca 0.00 -1.70 -0.13 0.00 -0.02 0.00 0.00 57.16 55.31 1nnv n GLU 68 Cb 0.31 -1.01 -0.10 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.39 -0.38 -0.32 -0.32 1.51 -1.24 -4.22 117.35 110.99 1nnv s TYR 69 Ca 0.14 0.89 -0.21 0.00 -1.01 0.00 0.00 57.07 56.87 1nnv s TYR 69 Cb 0.12 0.14 -0.00 0.00 -0.11 0.00 0.00 41.96 42.11 1nnv s TYR 69 CO 0.01 -0.25 0.68 0.00 -1.11 0.00 0.00 175.55 174.88 1nnv s ALA 70 N -0.11 3.51 -0.38 3.71 0.00 -0.90 -3.86 121.76 123.72 1nnv s ALA 70 Ca -0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1nnv s ALA 70 Cb -0.03 -3.18 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1nnv s ALA 70 CO 0.01 -1.19 0.18 -2.00 0.00 0.00 0.00 175.76 172.76 1nnv s GLU 71 N 2.74 2.40 -0.12 0.00 2.12 -1.07 -2.31 118.70 122.46 1nnv s GLU 71 Ca 0.27 -1.50 -0.11 0.00 0.36 0.00 0.00 54.97 54.00 1nnv s GLU 71 Cb -0.14 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 1nnv s GLU 71 CO 0.13 -0.89 0.22 0.08 -0.54 0.00 0.00 175.26 174.26 1nnv s VAL 72 N 1.31 5.36 -0.59 3.70 1.01 -0.66 -0.72 120.40 129.80 1nnv s VAL 72 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1nnv s VAL 72 Cb -0.22 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 32.79 1nnv s VAL 72 CO -0.00 0.52 0.37 0.26 0.00 0.00 0.00 175.10 176.26 1nnv s TRP 73 N -0.42 3.32 -0.67 5.22 0.52 -0.16 -1.11 118.94 125.64 1nnv s TRP 73 Ca 0.16 -2.94 -0.21 0.00 0.02 0.00 0.00 56.10 53.12 1nnv s TRP 73 Cb -0.13 -3.03 0.08 0.00 -1.15 0.00 0.00 33.47 29.25 1nnv s TRP 73 CO 0.05 -0.79 0.92 0.08 0.02 0.00 0.00 176.95 177.23 1nnv s VAL 74 N -0.23 4.47 0.00 4.03 1.01 -0.98 -2.45 120.40 126.24 1nnv s VAL 74 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1nnv s VAL 74 Cb -0.22 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.51 1nnv s VAL 74 CO -0.02 -1.39 0.00 0.61 0.00 0.00 0.00 175.10 174.30 1nnv n GLY 75 N 5.33 4.03 2.61 4.51 0.00 0.36 -2.04 105.19 119.99 1nnv n GLY 75 Ca -0.03 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1nnv n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nnv s LEU 76 N 0.00 0.34 0.11 0.99 2.96 -0.99 -2.59 118.68 119.50 1nnv s LEU 76 Ca 0.00 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 1nnv s LEU 76 Cb 0.00 -0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.41 1nnv s LEU 76 CO 0.00 -0.36 0.34 -0.69 -1.32 0.00 0.00 176.35 174.32 1nnv s VAL 77 N 2.14 5.21 0.00 1.68 1.01 -1.22 -4.57 120.40 124.64 1nnv s VAL 77 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1nnv s VAL 77 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1nnv s VAL 77 CO -0.12 0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.69 1nnv n ASN 78 N 0.32 0.00 0.20 3.32 3.02 -1.25 -4.26 115.26 116.61 1nnv n ASN 78 Ca -0.04 -0.43 0.06 0.00 -0.03 0.00 0.00 54.58 54.13 1nnv n ASN 78 Cb 0.52 0.00 0.39 0.00 -0.61 0.00 0.00 39.78 40.07 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 -0.00 -1.94 -2.65 114.58 113.51 1nnv h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1nnv h GLU 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1nnv h GLU 79 CO 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 179.01 179.36 1nnv n GLN 80 N -3.63 0.21 -2.27 1.06 10.64 -1.26 -4.87 117.38 117.26 1nnv n GLN 80 Ca -0.01 0.12 -0.14 0.00 -1.83 0.00 0.00 57.00 55.14 1nnv n GLN 80 Cb 0.46 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.34 1nnv n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1nnv n ASP 81 N -1.34 -4.22 -4.76 2.61 -0.08 -1.00 -5.01 116.55 102.75 1nnv n ASP 81 Ca 0.08 -0.02 -0.32 0.00 -1.51 0.00 0.00 54.79 53.03 1nnv n ASP 81 Cb 0.18 -3.38 -0.07 0.00 2.34 0.00 0.00 41.12 40.18 1nnv n ASP 81 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1nnv s GLU 82 N -4.70 2.93 -0.74 -0.67 0.41 -1.26 -4.96 118.70 109.72 1nnv s GLU 82 Ca 0.01 -0.61 -0.02 0.00 -0.41 0.00 0.00 54.97 53.94 1nnv s GLU 82 Cb -0.00 -2.76 0.19 0.00 -1.78 0.00 0.00 34.13 29.77 1nnv s GLU 82 CO 0.01 0.60 0.58 1.41 -0.49 0.00 0.00 175.26 177.37 1nnv s MET 83 N -2.01 2.86 -0.05 1.61 1.75 -1.26 -3.78 119.30 118.42 1nnv s MET 83 Ca 0.25 -2.86 0.13 0.00 -1.25 0.00 0.00 55.69 51.96 1nnv s MET 83 Cb -0.12 -3.82 0.38 0.00 2.84 0.00 0.00 34.83 34.11 1nnv s MET 83 CO 0.17 -1.22 1.32 -0.40 -0.65 0.00 0.00 175.02 174.24 1nnv n ASP 84 N 2.98 3.26 -3.27 1.11 5.68 -1.26 -4.82 116.55 120.22 1nnv n ASP 84 Ca 0.14 -2.28 -0.07 0.00 -0.50 0.00 0.00 54.79 52.08 1nnv n ASP 84 Cb 0.38 -0.33 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1nnv s ASP 85 N -1.24 -0.31 0.20 -1.12 1.11 -1.26 -5.13 116.67 108.92 1nnv s ASP 85 Ca 0.29 -0.98 -0.13 0.00 0.18 0.00 0.00 52.55 51.92 1nnv s ASP 85 Cb 0.19 1.34 -0.07 0.00 1.07 0.00 0.00 42.92 45.45 1nnv s ASP 85 CO 0.14 -0.23 0.58 0.54 1.18 0.00 0.00 175.17 177.38 1nnv s VAL 86 N 1.83 4.85 -0.26 -1.27 0.11 -1.26 -2.34 120.40 122.05 1nnv s VAL 86 Ca 0.15 0.74 -0.15 0.00 -2.93 0.00 0.00 61.98 59.79 1nnv s VAL 86 Cb -0.10 -3.69 -0.14 0.00 -1.53 0.00 0.00 36.38 30.93 1nnv s VAL 86 CO -0.09 0.08 -0.21 0.49 -3.33 0.00 0.00 175.10 172.04 1nnv n PHE 87 N 0.34 0.26 -3.66 1.54 3.72 -1.04 -4.91 117.46 113.71 1nnv n PHE 87 Ca -0.02 0.11 -0.08 0.00 -0.05 0.00 0.00 57.45 57.41 1nnv n PHE 87 Cb 0.52 -1.03 -0.09 0.00 -0.94 0.00 0.00 39.48 37.94 1nnv n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nnv s ALA 88 N -2.47 -1.17 -0.17 4.37 0.00 -0.86 -4.53 121.76 116.91 1nnv s ALA 88 Ca -0.36 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 1nnv s ALA 88 Cb 0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1nnv s ALA 88 CO 0.52 -0.71 0.07 0.15 0.00 0.00 0.00 175.76 175.79 1nnv s LYS 89 N 2.49 3.88 0.15 0.00 1.02 -0.97 -2.33 119.74 123.98 1nnv s LYS 89 Ca -0.03 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 55.72 1nnv s LYS 89 Cb -0.12 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1nnv s LYS 89 CO -0.13 0.35 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.55 1nnv s PHE 90 N 0.16 2.80 -0.19 3.18 0.40 -0.26 -0.91 117.98 123.15 1nnv s PHE 90 Ca 0.05 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.20 1nnv s PHE 90 Cb -0.12 -1.39 0.06 0.00 0.51 0.00 0.00 43.02 42.09 1nnv s PHE 90 CO 0.00 0.50 0.07 -0.51 0.70 0.00 0.00 175.22 175.98 1nnv s LEU 91 N -2.72 0.83 -0.07 -0.37 1.43 0.94 -1.66 118.68 117.06 1nnv s LEU 91 Ca 0.26 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1nnv s LEU 91 Cb -0.10 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1nnv s LEU 91 CO 0.17 -0.34 -0.17 0.27 0.23 0.00 0.00 176.35 176.51 1nnv s ILE 92 N 1.98 2.77 -0.84 -0.59 -4.36 -0.98 -1.10 121.20 118.08 1nnv s ILE 92 Ca 0.01 -0.81 -0.25 0.00 -0.26 0.00 0.00 60.65 59.34 1nnv s ILE 92 Cb -0.17 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 1nnv s ILE 92 CO -0.11 0.57 1.81 -0.55 0.24 0.00 0.00 174.94 176.90 1nnv s SER 93 N -0.37 5.44 0.17 4.36 0.15 -1.03 -2.12 113.70 120.30 1nnv s SER 93 Ca 0.03 -0.53 -0.03 0.00 0.70 0.00 0.00 55.95 56.12 1nnv s SER 93 Cb -0.12 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 61.95 1nnv s SER 93 CO 0.02 -2.41 0.93 1.41 1.20 0.00 0.00 173.24 174.39 1nnv n HIS 94 N 12.62 0.26 -1.37 3.44 -0.00 -1.26 -4.55 115.22 124.35 1nnv n HIS 94 Ca 0.32 0.73 -0.44 0.00 -0.00 0.00 0.00 57.72 58.32 1nnv n HIS 94 Cb 0.49 -0.87 -0.01 0.00 -0.00 0.00 0.00 29.99 29.60 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 -4.92 0.14 -0.03 -0.41 1.74 -1.26 -4.90 116.66 107.01 1nnv n ARG 95 Ca 0.11 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.10 1nnv n ARG 95 Cb 0.34 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.57 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 0.71 0.13 -6.96 5.56 4.22 -1.94 -3.45 114.58 112.85 1nnv h GLU 96 Ca -0.34 -0.08 -0.50 0.00 0.08 0.00 0.00 59.36 58.52 1nnv h GLU 96 Cb 1.43 0.01 0.04 0.00 0.50 0.00 0.00 28.75 30.74 1nnv h GLU 96 CO 0.52 0.68 0.46 -1.21 -2.18 0.00 0.00 179.01 177.28 1nnv s GLU 97 N -3.89 4.02 0.11 1.92 2.02 -1.26 -4.62 118.70 117.00 1nnv s GLU 97 Ca -0.16 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.53 1nnv s GLU 97 Cb 0.02 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1nnv s GLU 97 CO 0.71 -0.31 0.00 -0.25 0.02 0.00 0.00 175.26 175.43 1nnv n ASP 98 N -0.11 -8.35 -4.31 -0.19 9.92 -1.26 -4.94 116.55 107.31 1nnv n ASP 98 Ca 0.05 1.58 -0.37 0.00 -0.53 0.00 0.00 54.79 55.53 1nnv n ASP 98 Cb 0.48 -4.82 -0.13 0.00 -0.64 0.00 0.00 41.12 36.02 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 -0.50 2.95 -0.28 -1.24 6.06 -1.26 -4.87 118.95 119.80 1nnv s ARG 99 Ca 0.00 -0.95 0.00 0.00 -2.50 0.00 0.00 55.73 52.28 1nnv s ARG 99 Cb 0.00 -3.33 0.08 0.00 0.06 0.00 0.00 34.95 31.76 1nnv s ARG 99 CO 0.00 -0.49 0.04 -1.83 -2.50 0.00 0.00 175.30 170.53 1nnv s GLU 100 N 1.45 1.07 0.04 5.12 -1.05 -1.26 -5.02 118.70 119.04 1nnv s GLU 100 Ca 0.01 -1.11 0.05 0.00 -0.15 0.00 0.00 54.97 53.77 1nnv s GLU 100 Cb -0.18 -2.37 -0.04 0.00 -0.44 0.00 0.00 34.13 31.11 1nnv s GLU 100 CO 0.01 -0.84 -0.09 -0.59 0.95 0.00 0.00 175.26 174.71 1nnv s PHE 101 N 1.47 2.81 0.10 4.83 -0.12 -1.26 -2.47 117.98 123.33 1nnv s PHE 101 Ca 0.05 -0.10 -0.06 0.00 -0.05 0.00 0.00 56.93 56.76 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 -0.15 0.38 0.15 -3.38 -0.05 0.00 0.00 175.22 172.16 1nnv s HIS 102 N -1.07 0.34 -0.15 3.49 -3.43 -0.26 -4.96 115.29 109.25 1nnv s HIS 102 Ca 0.18 -0.78 -0.17 0.00 -0.80 0.00 0.00 55.06 53.50 1nnv s HIS 102 Cb -0.11 -0.17 0.04 0.00 -1.43 0.00 0.00 32.58 30.91 1nnv s HIS 102 CO 0.10 -0.54 0.45 0.54 -2.00 0.00 0.00 174.74 173.29 1nnv s VAL 103 N -3.91 0.01 -0.12 -5.38 0.11 -1.26 -0.04 120.40 109.80 1nnv s VAL 103 Ca 0.09 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1nnv s VAL 103 Cb 0.06 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1nnv s VAL 103 CO -0.08 -0.03 -0.07 0.27 -3.33 0.00 0.00 175.10 171.86 1nnv s ILE 104 N -0.01 3.61 0.00 7.04 -0.00 -0.09 -4.95 121.20 126.79 1nnv s ILE 104 Ca -0.02 -0.48 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 1nnv s ILE 104 Cb -0.03 -2.54 0.00 0.00 -0.00 0.00 0.00 42.46 39.89 1nnv s ILE 104 CO 0.02 0.53 0.00 0.79 -0.00 0.00 0.00 174.94 176.28 1nnv n TRP 105 N 3.17 0.00 -3.63 1.37 7.02 -1.26 -2.30 117.44 121.81 1nnv n TRP 105 Ca -0.18 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.16 1nnv n TRP 105 Cb 0.53 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.34 1nnv n TRP 105 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1nnv s LYS 106 N 0.00 0.82 0.00 -0.99 1.02 -1.26 -4.76 119.74 114.57 1nnv s LYS 106 Ca 0.00 0.98 0.28 0.00 0.02 0.00 0.00 55.97 57.25 1nnv s LYS 106 Cb 0.00 0.40 1.05 0.00 -0.52 0.00 0.00 37.83 38.77 1nnv s LYS 106 CO 0.00 -0.10 1.75 1.63 -0.92 0.00 0.00 175.35 177.71