#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 -3.15 1.12 -1.04 -1.26 -5.12 114.28 104.84 1nnv n THR 2 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1nnv n THR 2 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1nnv n THR 2 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1nnv s THR 3 N -2.00 -0.62 -0.06 12.58 -1.32 -1.26 -5.07 115.64 117.88 1nnv s THR 3 Ca 0.00 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 1nnv s THR 3 Cb 0.00 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.95 1nnv s THR 3 CO 0.00 0.00 0.38 -0.33 -2.21 0.00 0.00 174.62 172.46 1nnv h GLU 4 N 7.99 -0.30 -5.54 7.08 4.39 -2.08 -3.45 114.58 122.67 1nnv h GLU 4 Ca -0.17 0.02 -0.61 0.00 0.34 0.00 0.00 59.36 58.93 1nnv h GLU 4 Cb 1.17 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 1nnv h GLU 4 CO 0.06 -0.18 -0.38 0.42 -1.16 0.00 0.00 179.01 177.77 1nnv s ILE 5 N -2.60 5.34 -0.18 3.13 -1.09 -1.26 -5.08 121.20 119.46 1nnv s ILE 5 Ca -0.05 0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.67 1nnv s ILE 5 Cb 0.00 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1nnv s ILE 5 CO 0.16 0.48 0.24 -0.75 -1.23 0.00 0.00 174.94 173.83 1nnv s LYS 6 N -0.10 4.23 0.07 2.79 2.36 -1.26 -5.09 119.74 122.74 1nnv s LYS 6 Ca 0.15 -0.02 0.00 0.00 -2.55 0.00 0.00 55.97 53.55 1nnv s LYS 6 Cb -0.13 -3.43 0.01 0.00 -1.05 0.00 0.00 37.83 33.24 1nnv s LYS 6 CO 0.04 0.25 0.10 0.36 1.55 0.00 0.00 175.35 177.64 1nnv n LYS 7 N 3.60 0.60 -4.80 4.03 2.85 -1.26 -4.26 118.16 118.93 1nnv n LYS 7 Ca -0.13 -0.27 -0.28 0.00 -1.05 0.00 0.00 58.31 56.57 1nnv n LYS 7 Cb 0.52 -0.06 -0.14 0.00 -0.65 0.00 0.00 35.03 34.69 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 2.17 0.43 -5.58 1.43 -1.26 -5.00 118.68 110.87 1nnv s LEU 8 Ca 0.06 -0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 52.37 1nnv s LEU 8 Cb -0.00 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 1nnv s LEU 8 CO 0.04 0.22 1.02 -0.62 0.23 0.00 0.00 176.35 177.25 1nnv s ASP 9 N -1.24 6.69 0.17 2.29 2.15 -1.26 -4.87 116.67 120.61 1nnv s ASP 9 Ca 0.10 1.93 -0.16 0.00 0.43 0.00 0.00 52.55 54.86 1nnv s ASP 9 Cb -0.10 -2.57 0.13 0.00 -0.30 0.00 0.00 42.92 40.09 1nnv s ASP 9 CO 0.02 -0.53 1.67 -0.65 -0.17 0.00 0.00 175.17 175.51 1nnv h PRO 10 N 2.15 0.04 -0.01 4.34 0.11 -2.00 0.74 132.00 137.36 1nnv h PRO 10 Ca -0.49 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1nnv h PRO 10 Cb 1.21 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1nnv h PRO 10 CO 0.61 0.02 -0.57 -0.44 -0.21 0.00 0.00 178.00 177.42 1nnv h ASP 11 N 0.04 0.02 -0.01 -2.05 5.19 -1.98 -2.30 116.42 115.32 1nnv h ASP 11 Ca 0.22 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1nnv h ASP 11 Cb 0.33 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 1nnv h ASP 11 CO -0.42 0.59 -0.00 0.74 -3.12 0.00 0.00 179.24 177.03 1nnv h THR 12 N 0.02 1.26 -0.41 0.35 2.02 -1.58 -1.52 112.91 113.05 1nnv h THR 12 Ca -0.01 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 1nnv h THR 12 Cb 1.01 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1nnv h THR 12 CO 0.08 0.20 0.08 0.00 0.37 0.00 0.00 175.52 176.24 1nnv h ALA 13 N 0.69 0.54 -0.46 6.16 0.00 -0.92 -2.44 119.26 122.82 1nnv h ALA 13 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nnv h ALA 13 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nnv h ALA 13 CO 0.00 0.24 0.30 0.82 0.00 0.00 0.00 179.25 180.62 1nnv h ILE 14 N 0.52 1.10 -0.29 0.00 2.04 -1.42 -1.14 117.51 118.32 1nnv h ILE 14 Ca 0.12 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1nnv h ILE 14 Cb 0.35 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1nnv h ILE 14 CO 0.01 0.11 -0.12 -0.78 0.00 0.00 0.00 178.15 177.36 1nnv h ASP 15 N 0.60 0.61 0.37 1.72 3.58 -0.97 -1.63 116.42 120.70 1nnv h ASP 15 Ca 0.17 -0.40 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 1nnv h ASP 15 Cb -0.04 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1nnv h ASP 15 CO -0.04 0.87 -0.18 0.40 -2.88 0.00 0.00 179.24 177.42 1nnv h ILE 16 N 0.35 0.63 -0.96 2.25 2.04 -0.95 -2.61 117.51 118.25 1nnv h ILE 16 Ca 0.07 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.60 1nnv h ILE 16 Cb 0.63 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1nnv h ILE 16 CO 0.04 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.87 1nnv h ALA 17 N -0.22 1.39 -0.00 1.87 0.00 -1.30 -1.75 119.26 119.25 1nnv h ALA 17 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nnv h ALA 17 Cb 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nnv h ALA 17 CO 0.08 0.29 -0.14 -0.92 0.00 0.00 0.00 179.25 178.56 1nnv h TYR 18 N 1.03 -0.36 -0.20 0.00 5.03 -1.23 0.66 116.97 121.90 1nnv h TYR 18 Ca 0.45 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.77 1nnv h TYR 18 Cb 0.33 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 1nnv h TYR 18 CO -0.01 -0.21 0.10 0.22 -1.32 0.00 0.00 178.16 176.94 1nnv h ASP 19 N -0.23 0.23 0.77 -2.11 3.58 -1.03 -1.11 116.42 116.52 1nnv h ASP 19 Ca 0.05 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 1nnv h ASP 19 Cb 0.29 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1nnv h ASP 19 CO -0.14 0.20 -0.60 0.40 -2.88 0.00 0.00 179.24 176.22 1nnv h ILE 20 N 0.27 1.31 0.00 2.25 2.04 -0.43 -2.58 117.51 120.36 1nnv h ILE 20 Ca 0.07 -2.14 -0.10 0.00 1.00 0.00 0.00 64.86 63.68 1nnv h ILE 20 Cb 0.02 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1nnv h ILE 20 CO -0.01 0.59 -0.50 0.15 0.00 0.00 0.00 178.15 178.38 1nnv h PHE 21 N 0.00 0.00 0.04 1.37 3.57 0.31 0.32 116.94 122.55 1nnv h PHE 21 Ca -0.01 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.27 1nnv h PHE 21 Cb 1.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1nnv h PHE 21 CO 0.00 0.50 -1.01 1.25 -2.23 0.00 0.00 178.31 176.82 1nnv h LEU 22 N 0.00 0.23 0.03 0.59 5.85 -1.18 -2.62 115.31 118.22 1nnv h LEU 22 Ca -0.00 -0.22 -0.38 0.00 0.84 0.00 0.00 57.88 58.12 1nnv h LEU 22 Cb 1.25 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 1nnv h LEU 22 CO 0.06 1.10 -2.30 -1.84 -0.34 0.00 0.00 178.44 175.12 1nnv n GLU 23 N -3.55 0.68 -0.05 1.25 0.28 -0.99 -4.59 120.64 113.68 1nnv n GLU 23 Ca -0.04 0.17 -0.13 0.00 -0.16 0.00 0.00 57.16 56.99 1nnv n GLU 23 Cb 0.90 -1.58 -0.12 0.00 1.43 0.00 0.00 31.44 32.07 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 0.02 -0.00 -6.01 3.44 2.86 -0.51 -3.44 114.93 111.28 1nnv h MET 24 Ca -0.52 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 56.43 1nnv h MET 24 Cb 1.98 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.63 1nnv h MET 24 CO -0.02 0.79 1.34 0.00 1.06 0.00 0.00 176.91 180.08 1nnv n ALA 25 N -2.51 0.82 -1.66 6.32 0.00 -0.99 -4.47 120.51 118.03 1nnv n ALA 25 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1nnv n ALA 25 Cb 0.39 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 6.40 -1.54 0.34 0.00 0.00 -1.26 -4.91 105.19 104.22 1nnv n GLY 26 Ca 0.41 0.72 0.13 0.00 0.00 0.00 0.00 46.02 47.27 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 1.03 -0.02 1.61 -0.58 -1.26 -4.05 120.64 117.37 1nnv n GLU 27 Ca 0.00 -0.69 -0.10 0.00 -0.42 0.00 0.00 57.16 55.95 1nnv n GLU 27 Cb 0.00 -1.49 -0.14 0.00 -0.57 0.00 0.00 31.44 29.24 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 -0.38 1.03 -4.82 1.62 4.13 -1.26 -4.88 115.26 110.68 1nnv n ASN 28 Ca 0.12 0.37 -0.38 0.00 1.68 0.00 0.00 54.58 56.37 1nnv n ASN 28 Cb 0.39 -0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.42 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 -6.21 4.47 0.14 3.41 0.20 -1.26 -4.78 118.68 114.66 1nnv s LEU 29 Ca -0.07 0.99 -0.34 0.00 0.69 0.00 0.00 54.13 55.40 1nnv s LEU 29 Cb 0.08 -2.63 -0.16 0.00 -0.43 0.00 0.00 46.19 43.04 1nnv s LEU 29 CO 0.82 0.30 1.24 0.47 -0.29 0.00 0.00 176.35 178.88 1nnv n ASP 30 N 1.94 1.51 -0.32 3.68 9.92 -1.20 -4.78 116.55 127.30 1nnv n ASP 30 Ca -0.13 1.13 -0.07 0.00 -0.53 0.00 0.00 54.79 55.20 1nnv n ASP 30 Cb 0.52 -1.22 -0.03 0.00 -0.64 0.00 0.00 41.12 39.76 1nnv n ASP 30 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1nnv h PRO 31 N 3.83 -0.09 -0.34 -0.24 0.11 -1.93 -1.48 132.00 131.87 1nnv h PRO 31 Ca -0.45 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.73 1nnv h PRO 31 Cb 1.34 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.38 1nnv h PRO 31 CO 0.73 -0.06 -0.44 0.00 -0.21 0.00 0.00 178.00 178.02 1nnv h ALA 32 N 0.85 -0.51 -0.72 -0.75 0.00 -1.99 0.45 119.26 116.59 1nnv h ALA 32 Ca 0.23 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1nnv h ALA 32 Cb 0.54 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1nnv h ALA 32 CO -0.85 -0.90 0.66 -0.44 0.00 0.00 0.00 179.25 177.72 1nnv h ASP 33 N -0.37 0.00 0.20 0.00 5.19 -1.64 0.38 116.42 120.18 1nnv h ASP 33 Ca 0.12 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1nnv h ASP 33 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1nnv h ASP 33 CO -0.54 0.00 -0.10 0.40 -3.12 0.00 0.00 179.24 175.89 1nnv h ILE 34 N 0.00 0.88 -0.01 0.35 2.04 0.37 -2.50 117.51 118.64 1nnv h ILE 34 Ca 0.34 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1nnv h ILE 34 Cb 1.66 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 1nnv h ILE 34 CO -0.00 0.17 -0.52 0.25 0.00 0.00 0.00 178.15 178.05 1nnv h LEU 35 N -0.70 -1.61 -0.99 1.44 5.85 -0.47 0.18 115.31 119.00 1nnv h LEU 35 Ca -0.03 0.18 0.19 0.00 0.84 0.00 0.00 57.88 59.06 1nnv h LEU 35 Cb 0.49 0.61 -0.11 0.00 0.37 0.00 0.00 40.66 42.02 1nnv h LEU 35 CO 0.05 -0.50 0.59 -0.07 -0.34 0.00 0.00 178.44 178.16 1nnv h LEU 36 N -0.64 0.75 -1.29 2.25 -0.00 -1.58 0.57 115.31 115.37 1nnv h LEU 36 Ca 0.01 0.10 -0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1nnv h LEU 36 Cb 0.69 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 1nnv h LEU 36 CO -0.36 0.26 -0.15 0.15 -0.00 0.00 0.00 178.44 178.34 1nnv h PHE 37 N 0.74 0.32 0.23 1.13 3.57 -0.71 0.83 116.94 123.05 1nnv h PHE 37 Ca 0.57 -0.04 -0.33 0.00 3.53 0.00 0.00 57.97 61.70 1nnv h PHE 37 Cb 0.90 -0.09 0.03 0.00 2.79 0.00 0.00 35.95 39.58 1nnv h PHE 37 CO -0.02 0.44 -1.48 -0.91 -2.23 0.00 0.00 178.31 174.12 1nnv h ASN 38 N 0.28 0.76 0.19 0.41 4.21 0.28 -3.35 115.58 118.36 1nnv h ASN 38 Ca 0.05 -0.84 -0.30 0.00 1.21 0.00 0.00 56.30 56.42 1nnv h ASN 38 Cb 0.44 -0.25 0.03 0.00 -1.12 0.00 0.00 38.32 37.42 1nnv h ASN 38 CO 0.03 1.66 -1.30 -0.07 -1.29 0.00 0.00 177.43 176.46 1nnv h LEU 39 N 0.13 0.81 -7.42 1.61 4.07 -0.00 -3.44 115.31 111.07 1nnv h LEU 39 Ca -0.25 -0.89 -0.59 0.00 0.08 0.00 0.00 57.88 56.24 1nnv h LEU 39 Cb 2.14 -0.26 -0.39 0.00 1.08 0.00 0.00 40.66 43.23 1nnv h LEU 39 CO 0.26 1.63 -0.77 0.00 -1.08 0.00 0.00 178.44 178.48 1nnv s GLN 40 N -2.72 1.13 0.00 1.13 -2.07 0.29 -4.85 119.66 112.57 1nnv s GLN 40 Ca -0.10 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.48 1nnv s GLN 40 Cb 0.04 -2.37 0.00 0.00 -1.09 0.00 0.00 33.01 29.59 1nnv s GLN 40 CO 0.93 -0.75 0.00 0.34 -1.32 0.00 0.00 175.29 174.49 1nnv n PHE 41 N 4.77 -1.04 0.13 9.60 7.35 -1.26 -4.23 117.46 132.78 1nnv n PHE 41 Ca -0.07 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.64 1nnv n PHE 41 Cb 0.44 0.21 0.36 0.00 0.35 0.00 0.00 39.48 40.84 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 0.20 0.00 -4.13 4.57 -1.86 1.12 114.58 114.48 1nnv h GLU 42 Ca 0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1nnv h GLU 42 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1nnv h GLU 42 CO 0.00 0.41 -1.40 -1.91 -1.18 0.00 0.00 179.01 174.93 1nnv n GLU 43 N -4.21 0.92 -1.34 1.92 2.13 -1.26 -4.67 120.64 114.12 1nnv n GLU 43 Ca -0.01 -0.05 0.02 0.00 0.66 0.00 0.00 57.16 57.77 1nnv n GLU 43 Cb 0.32 -1.19 0.10 0.00 0.27 0.00 0.00 31.44 30.94 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1nnv n ARG 44 N -1.91 1.14 -4.09 5.31 3.00 -1.21 -5.02 116.66 113.87 1nnv n ARG 44 Ca -0.04 -2.87 -0.32 0.00 -0.01 0.00 0.00 57.85 54.60 1nnv n ARG 44 Cb 0.35 -1.01 -0.15 0.00 0.00 0.00 0.00 32.46 31.64 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 -2.82 1.54 0.24 -0.13 0.00 0.39 -3.60 107.32 102.94 1nnv s GLY 45 Ca 0.36 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1nnv s GLY 45 CO -0.10 0.48 0.00 -0.32 0.00 0.00 0.00 173.10 173.16 1nnv s GLY 46 N 1.18 1.60 -0.11 0.20 0.00 -0.45 -4.79 107.32 104.94 1nnv s GLY 46 Ca -0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 1nnv s GLY 46 CO -0.08 -1.68 0.23 0.14 0.00 0.00 0.00 173.10 171.72 1nnv s VAL 47 N -3.41 -0.30 0.32 1.40 1.01 -1.26 -2.24 120.40 115.92 1nnv s VAL 47 Ca 0.29 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1nnv s VAL 47 Cb 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1nnv s VAL 47 CO 0.09 0.11 0.13 -0.70 0.00 0.00 0.00 175.10 174.73 1nnv s GLU 48 N 2.11 2.40 -0.38 2.72 2.56 -0.99 -4.94 118.70 122.18 1nnv s GLU 48 Ca -0.01 -1.50 -0.09 0.00 0.00 0.00 0.00 54.97 53.37 1nnv s GLU 48 Cb -0.12 -2.20 0.05 0.00 2.00 0.00 0.00 34.13 33.86 1nnv s GLU 48 CO -0.08 0.16 0.19 0.12 -0.56 0.00 0.00 175.26 175.10 1nnv s PHE 49 N -2.39 3.28 0.51 5.30 2.19 -1.26 -1.70 117.98 123.91 1nnv s PHE 49 Ca 0.37 -1.31 0.07 0.00 0.33 0.00 0.00 56.93 56.39 1nnv s PHE 49 Cb -0.03 -2.57 0.07 0.00 -1.31 0.00 0.00 43.02 39.17 1nnv s PHE 49 CO 0.22 -0.75 0.59 1.33 1.83 0.00 0.00 175.22 178.45 1nnv n VAL 50 N 4.91 0.00 -2.98 3.12 0.24 0.36 -4.98 118.33 119.00 1nnv n VAL 50 Ca -0.11 -1.84 -0.11 0.00 -2.04 0.00 0.00 64.34 60.24 1nnv n VAL 50 Cb 0.44 -0.37 0.04 0.00 -1.47 0.00 0.00 33.84 32.48 1nnv n VAL 50 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1nnv n GLU 51 N -1.96 0.72 -2.92 7.34 1.02 -1.26 -2.58 120.64 121.01 1nnv n GLU 51 Ca 0.08 -1.80 -0.25 0.00 -0.02 0.00 0.00 57.16 55.18 1nnv n GLU 51 Cb 0.55 -0.16 0.01 0.00 -0.02 0.00 0.00 31.44 31.82 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 -1.14 4.44 0.00 2.62 2.01 -1.26 -4.57 115.64 117.74 1nnv s THR 52 Ca 0.36 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1nnv s THR 52 Cb -0.03 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1nnv s THR 52 CO 0.23 -0.53 0.00 0.00 -0.69 0.00 0.00 174.62 173.63 1nnv n ALA 53 N -2.12 0.00 -0.05 7.40 0.00 -1.26 -4.98 120.51 119.51 1nnv n ALA 53 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 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 -0.44 0.00 0.00 0.00 177.50 177.06 1nnv h ASP 54 N 0.00 0.21 -1.99 0.00 5.19 -1.99 -3.45 116.42 114.39 1nnv h ASP 54 Ca 0.00 -0.73 0.15 0.00 -0.62 0.00 0.00 57.03 55.84 1nnv h ASP 54 Cb 0.00 -0.07 -0.28 0.00 0.18 0.00 0.00 39.33 39.17 1nnv h ASP 54 CO 0.00 1.64 0.43 -0.62 -3.12 0.00 0.00 179.24 177.57 1nnv s ASP 55 N -6.95 -0.41 0.00 6.45 -1.08 -1.26 -4.92 116.67 108.50 1nnv s ASP 55 Ca -0.25 0.63 0.00 0.00 -0.52 0.00 0.00 52.55 52.41 1nnv s ASP 55 Cb 0.06 1.26 0.00 0.00 -1.46 0.00 0.00 42.92 42.78 1nnv s ASP 55 CO 0.68 -0.10 0.00 0.79 0.52 0.00 0.00 175.17 177.07 1nnv n TRP 56 N 3.90 0.00 -2.72 -5.34 7.02 -1.26 -4.90 117.44 114.14 1nnv n TRP 56 Ca -0.16 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.24 1nnv n TRP 56 Cb 0.56 -0.13 -0.01 0.00 -2.42 0.00 0.00 31.31 29.32 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 -1.40 -2.67 0.00 -0.99 -0.58 -0.57 -4.39 120.64 110.04 1nnv n GLU 57 Ca 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1nnv n GLU 57 Cb 0.00 -4.74 0.00 0.00 -0.57 0.00 0.00 31.44 26.13 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nnv n GLU 58 N -2.80 0.00 0.00 3.49 1.02 -1.26 -4.85 120.64 116.24 1nnv n GLU 58 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1nnv n GLU 58 Cb 0.53 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1nnv n GLU 58 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 59 N -1.29 0.00 -0.02 3.49 -0.58 -1.26 -4.72 120.64 116.26 1nnv n GLU 59 Ca 0.00 0.26 -0.18 0.00 -0.42 0.00 0.00 57.16 56.82 1nnv n GLU 59 Cb 0.00 -0.74 -0.14 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.46 0.00 -3.67 3.07 -1.96 -3.50 117.51 112.92 1nnv h ILE 60 Ca 0.00 -2.41 0.00 0.00 1.55 0.00 0.00 64.86 64.00 1nnv h ILE 60 Cb 0.00 3.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.63 1nnv h ILE 60 CO 0.00 0.63 0.00 0.61 -1.05 0.00 0.00 178.15 178.34 1nnv n GLY 61 N 1.64 0.61 0.00 0.16 0.00 -1.26 -5.08 105.19 101.26 1nnv n GLY 61 Ca -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1nnv n GLY 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nnv n VAL 62 N 0.00 0.00 0.34 1.61 3.14 -1.26 -4.96 118.33 117.20 1nnv n VAL 62 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 1nnv n VAL 62 Cb 0.00 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 32.96 1nnv n VAL 62 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1nnv n LEU 63 N 0.00 0.00 -1.74 6.55 0.00 -1.26 -1.51 117.00 119.03 1nnv n LEU 63 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 56.01 56.31 1nnv n LEU 63 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.12 1nnv n LEU 63 CO 0.00 -0.23 -0.48 -0.38 0.00 0.00 0.00 177.39 176.30 1nnv n ILE 64 N -1.30 -5.56 -3.71 1.96 2.08 -1.26 -4.38 119.36 107.20 1nnv n ILE 64 Ca 0.03 2.56 -0.34 0.00 0.56 0.00 0.00 62.75 65.56 1nnv n ILE 64 Cb 0.06 -3.49 -0.08 0.00 -0.75 0.00 0.00 39.64 35.37 1nnv n ILE 64 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1nnv s ASP 65 N -3.37 5.60 1.10 4.38 -1.08 -1.26 -4.96 116.67 117.08 1nnv s ASP 65 Ca 0.00 -3.58 -0.17 0.00 -0.52 0.00 0.00 52.55 48.28 1nnv s ASP 65 Cb 0.00 -1.84 0.12 0.00 -1.46 0.00 0.00 42.92 39.73 1nnv s ASP 65 CO 0.00 -0.20 0.18 -2.65 0.52 0.00 0.00 175.17 173.03 1nnv n PRO 66 N 2.48 -1.49 -0.98 4.34 -0.02 -1.26 -2.35 135.00 135.72 1nnv n PRO 66 Ca 0.18 -0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.21 1nnv n PRO 66 Cb 0.37 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1nnv n PRO 66 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1nnv n GLU 67 N -2.34 -1.85 0.00 -0.52 -0.58 -1.26 -4.58 120.64 109.51 1nnv n GLU 67 Ca 0.02 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1nnv n GLU 67 Cb 0.60 -4.73 0.00 0.00 -0.57 0.00 0.00 31.44 26.74 1nnv n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nnv n GLU 68 N 0.09 0.42 -4.37 3.49 1.02 -0.99 -5.04 120.64 115.25 1nnv n GLU 68 Ca -0.04 -0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 56.83 1nnv n GLU 68 Cb 0.44 -0.45 -0.14 0.00 -0.02 0.00 0.00 31.44 31.27 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 -0.08 0.95 -0.20 -0.32 2.02 -1.24 -0.90 117.35 117.59 1nnv s TYR 69 Ca 0.00 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.27 1nnv s TYR 69 Cb 0.00 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 1nnv s TYR 69 CO 0.00 -0.01 0.55 0.00 -1.57 0.00 0.00 175.55 174.52 1nnv s ALA 70 N -0.48 3.54 -0.28 3.71 0.00 0.00 -4.58 121.76 123.68 1nnv s ALA 70 Ca 0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 1nnv s ALA 70 Cb -0.05 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1nnv s ALA 70 CO 0.00 -0.47 0.22 -2.00 0.00 0.00 0.00 175.76 173.51 1nnv s GLU 71 N 1.69 3.95 -0.04 0.00 2.56 -1.06 -2.29 118.70 123.51 1nnv s GLU 71 Ca 0.25 -0.27 0.06 0.00 0.00 0.00 0.00 54.97 55.01 1nnv s GLU 71 Cb -0.16 -3.66 -0.01 0.00 2.00 0.00 0.00 34.13 32.30 1nnv s GLU 71 CO 0.10 -0.20 -0.22 0.08 -0.56 0.00 0.00 175.26 174.46 1nnv s VAL 72 N 1.81 1.76 -0.03 3.70 1.01 -0.64 0.14 120.40 128.15 1nnv s VAL 72 Ca 0.08 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1nnv s VAL 72 Cb -0.16 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1nnv s VAL 72 CO 0.11 0.50 -0.16 0.26 0.00 0.00 0.00 175.10 175.80 1nnv s TRP 73 N -0.24 2.63 -0.28 5.22 0.52 -0.69 -0.27 118.94 125.84 1nnv s TRP 73 Ca 0.01 -0.21 -0.00 0.00 0.02 0.00 0.00 56.10 55.92 1nnv s TRP 73 Cb -0.11 -1.58 0.09 0.00 -1.15 0.00 0.00 33.47 30.71 1nnv s TRP 73 CO 0.02 0.17 0.05 0.08 0.02 0.00 0.00 176.95 177.29 1nnv s VAL 74 N -0.76 1.12 0.09 4.03 1.01 -0.84 -2.34 120.40 122.72 1nnv s VAL 74 Ca 0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 1nnv s VAL 74 Cb -0.11 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1nnv s VAL 74 CO 0.01 -0.47 0.14 0.61 0.00 0.00 0.00 175.10 175.40 1nnv n GLY 75 N 4.77 2.56 3.88 4.51 0.00 -0.95 -0.08 105.19 119.88 1nnv n GLY 75 Ca -0.04 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 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 4.12 0.00 0.99 2.01 -0.99 -1.35 118.68 123.47 1nnv s LEU 76 Ca 0.06 0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.29 1nnv s LEU 76 Cb -0.01 -2.73 0.00 0.00 0.01 0.00 0.00 46.19 43.47 1nnv s LEU 76 CO 0.05 0.10 0.00 0.52 1.01 0.00 0.00 176.35 178.03 1nnv n VAL 77 N -0.17 0.00 -3.18 -1.59 0.31 -1.24 -4.18 118.33 108.29 1nnv n VAL 77 Ca -0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1nnv n VAL 77 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1nnv n VAL 77 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1nnv n ASN 78 N -1.57 0.39 0.07 4.52 3.02 -1.26 -4.90 115.26 115.53 1nnv n ASN 78 Ca 0.00 -1.02 0.13 0.00 -0.03 0.00 0.00 54.58 53.66 1nnv n ASN 78 Cb 0.00 -0.00 0.47 0.00 -0.61 0.00 0.00 39.78 39.63 1nnv n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nnv n GLU 79 N -0.84 0.18 0.00 3.52 1.02 -1.26 -3.23 120.64 120.03 1nnv n GLU 79 Ca 0.00 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 1nnv n GLU 79 Cb 0.01 -1.72 0.56 0.00 -0.02 0.00 0.00 31.44 30.27 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nnv n GLN 80 N -2.04 0.35 -2.40 3.49 10.64 -1.26 -4.95 117.38 121.21 1nnv n GLN 80 Ca 0.06 0.07 -0.01 0.00 -1.83 0.00 0.00 57.00 55.29 1nnv n GLN 80 Cb 0.39 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 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 -1.25 -6.44 -0.82 2.61 -0.08 -1.20 -5.09 116.55 104.29 1nnv n ASP 81 Ca 0.11 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.37 1nnv n ASP 81 Cb 0.16 -4.20 0.00 0.00 2.34 0.00 0.00 41.12 39.42 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1nnv n GLU 82 N 0.42 0.00 -3.20 -0.67 -0.58 -1.26 -5.05 120.64 110.30 1nnv n GLU 82 Ca 0.01 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.77 1nnv n GLU 82 Cb 0.04 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.90 1nnv n GLU 82 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1nnv s MET 83 N -1.45 0.78 0.00 3.49 1.75 -1.26 -4.77 119.30 117.83 1nnv s MET 83 Ca 0.00 -0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.32 1nnv s MET 83 Cb 0.00 0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.78 1nnv s MET 83 CO 0.00 -1.16 0.06 -0.40 -0.65 0.00 0.00 175.02 172.87 1nnv n ASP 84 N 4.58 0.07 -3.70 1.11 5.68 -1.26 -4.87 116.55 118.15 1nnv n ASP 84 Ca 0.10 -0.54 -0.29 0.00 -0.50 0.00 0.00 54.79 53.57 1nnv n ASP 84 Cb 0.57 0.99 -0.12 0.00 -1.14 0.00 0.00 41.12 41.42 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 -1.12 3.52 0.07 -1.12 1.01 -1.26 -5.10 116.67 112.67 1nnv s ASP 85 Ca 0.01 -3.11 -0.18 0.00 0.71 0.00 0.00 52.55 49.97 1nnv s ASP 85 Cb 0.01 -1.10 -0.07 0.00 1.01 0.00 0.00 42.92 42.77 1nnv s ASP 85 CO 0.05 -0.19 0.55 0.54 0.21 0.00 0.00 175.17 176.33 1nnv s VAL 86 N -0.28 4.79 -0.17 -1.27 0.11 -1.26 -2.34 120.40 119.97 1nnv s VAL 86 Ca 0.23 1.13 0.17 0.00 -2.93 0.00 0.00 61.98 60.59 1nnv s VAL 86 Cb -0.12 -3.86 -0.25 0.00 -1.53 0.00 0.00 36.38 30.62 1nnv s VAL 86 CO -0.09 0.53 0.17 0.49 -3.33 0.00 0.00 175.10 172.87 1nnv n PHE 87 N 1.64 0.15 -3.93 1.54 3.72 0.89 -4.89 117.46 116.58 1nnv n PHE 87 Ca -0.10 0.05 -0.09 0.00 -0.05 0.00 0.00 57.45 57.26 1nnv n PHE 87 Cb 0.51 -1.01 -0.05 0.00 -0.94 0.00 0.00 39.48 37.98 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 -2.54 -0.35 -0.03 4.37 0.00 -1.06 -3.06 121.76 119.09 1nnv s ALA 88 Ca -0.09 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1nnv s ALA 88 Cb 0.07 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1nnv s ALA 88 CO 0.83 -0.81 0.09 0.21 0.00 0.00 0.00 175.76 176.08 1nnv s LYS 89 N -3.98 0.10 0.06 0.00 2.20 -0.96 -1.99 119.74 115.17 1nnv s LYS 89 Ca 0.18 0.13 0.08 0.00 -0.36 0.00 0.00 55.97 56.01 1nnv s LYS 89 Cb -0.00 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1nnv s LYS 89 CO 0.05 -0.02 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.73 1nnv s PHE 90 N 0.07 2.02 -0.15 4.03 0.40 0.63 -1.69 117.98 123.29 1nnv s PHE 90 Ca -0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1nnv s PHE 90 Cb -0.01 -1.18 0.02 0.00 0.51 0.00 0.00 43.02 42.36 1nnv s PHE 90 CO 0.00 0.14 -0.14 -0.51 0.70 0.00 0.00 175.22 175.42 1nnv s LEU 91 N -1.38 1.75 -0.10 -0.37 1.43 -0.10 -1.62 118.68 118.29 1nnv s LEU 91 Ca 0.09 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1nnv s LEU 91 Cb -0.09 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.97 1nnv s LEU 91 CO 0.03 -0.07 -0.08 0.27 0.23 0.00 0.00 176.35 176.73 1nnv s ILE 92 N 1.48 0.97 -0.10 -0.59 -0.00 -0.97 -1.75 121.20 120.24 1nnv s ILE 92 Ca 0.04 -0.28 -0.33 0.00 -0.00 0.00 0.00 60.65 60.08 1nnv s ILE 92 Cb -0.13 -0.98 -0.11 0.00 -0.00 0.00 0.00 42.46 41.24 1nnv s ILE 92 CO -0.10 0.35 1.95 -1.20 -0.00 0.00 0.00 174.94 175.94 1nnv n SER 93 N 4.70 3.46 -0.31 4.36 7.64 -1.02 -0.82 113.62 131.63 1nnv n SER 93 Ca -0.15 0.86 0.06 0.00 1.01 0.00 0.00 58.87 60.65 1nnv n SER 93 Cb 0.50 -1.40 0.26 0.00 -1.01 0.00 0.00 64.21 62.56 1nnv n SER 93 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1nnv h HIS 94 N 10.18 1.03 -2.96 1.43 3.86 -1.34 -3.43 115.15 123.91 1nnv h HIS 94 Ca -0.47 0.03 -0.38 0.00 -1.16 0.00 0.00 60.37 58.39 1nnv h HIS 94 Cb 1.27 -0.34 0.22 0.00 1.06 0.00 0.00 27.41 29.62 1nnv h HIS 94 CO 0.91 0.49 -0.15 0.54 0.86 0.00 0.00 177.93 180.58 1nnv n ARG 95 N -4.52 -4.23 -0.10 2.45 1.74 -1.26 -4.73 116.66 106.01 1nnv n ARG 95 Ca 0.15 -1.24 -0.11 0.00 -0.77 0.00 0.00 57.85 55.88 1nnv n ARG 95 Cb 0.27 -1.98 -0.14 0.00 -1.02 0.00 0.00 32.46 29.59 1nnv n ARG 95 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nnv n GLU 96 N -5.52 0.90 -2.77 5.56 -0.00 -1.26 -4.84 120.64 112.71 1nnv n GLU 96 Ca 0.10 0.02 -0.33 0.00 -0.00 0.00 0.00 57.16 56.96 1nnv n GLU 96 Cb 0.58 -1.47 -0.06 0.00 -0.00 0.00 0.00 31.44 30.48 1nnv n GLU 96 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1nnv s GLU 97 N -2.45 4.18 -1.53 3.44 2.02 -1.26 -3.81 118.70 119.28 1nnv s GLU 97 Ca -0.14 1.12 -0.13 0.00 0.02 0.00 0.00 54.97 55.83 1nnv s GLU 97 Cb 0.06 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 32.20 1nnv s GLU 97 CO 0.71 -0.08 0.97 -3.47 0.02 0.00 0.00 175.26 173.41 1nnv n ASP 98 N -0.74 -4.66 -4.50 -0.19 2.03 -1.26 -4.77 116.55 102.46 1nnv n ASP 98 Ca 0.07 -0.78 -0.42 0.00 0.52 0.00 0.00 54.79 54.18 1nnv n ASP 98 Cb 0.54 -3.88 -0.08 0.00 -0.72 0.00 0.00 41.12 36.98 1nnv n ASP 98 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1nnv n ARG 99 N -4.67 0.74 -5.13 -0.67 3.00 -1.25 -4.91 116.66 103.77 1nnv n ARG 99 Ca 0.03 0.09 -0.32 0.00 -0.00 0.00 0.00 57.85 57.65 1nnv n ARG 99 Cb 0.53 -2.55 -0.15 0.00 0.00 0.00 0.00 32.46 30.29 1nnv n ARG 99 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1nnv s GLU 100 N 7.83 2.51 -0.01 -0.14 0.41 -1.26 -5.02 118.70 123.01 1nnv s GLU 100 Ca 1.13 -0.83 0.02 0.00 -0.41 0.00 0.00 54.97 54.88 1nnv s GLU 100 Cb -0.72 -2.24 0.00 0.00 -1.78 0.00 0.00 34.13 29.39 1nnv s GLU 100 CO 0.40 0.48 -0.06 -0.59 -0.49 0.00 0.00 175.26 175.00 1nnv s PHE 101 N -0.38 0.62 0.06 1.61 -0.71 -1.26 -2.43 117.98 115.49 1nnv s PHE 101 Ca 0.03 -0.13 -0.00 0.00 -1.04 0.00 0.00 56.93 55.79 1nnv s PHE 101 Cb -0.12 -0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 1nnv s PHE 101 CO 0.02 -0.04 -0.04 -3.38 -1.34 0.00 0.00 175.22 170.44 1nnv s HIS 102 N 0.06 0.58 -0.11 3.49 -3.43 -0.72 -4.97 115.29 110.19 1nnv s HIS 102 Ca -0.00 -1.01 -0.15 0.00 -0.80 0.00 0.00 55.06 53.10 1nnv s HIS 102 Cb -0.05 -0.41 0.04 0.00 -1.43 0.00 0.00 32.58 30.73 1nnv s HIS 102 CO -0.00 -0.33 0.39 0.54 -2.00 0.00 0.00 174.74 173.34 1nnv s VAL 103 N -3.74 0.01 -0.04 -5.38 0.11 -1.26 -0.92 120.40 109.18 1nnv s VAL 103 Ca 0.07 -0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1nnv s VAL 103 Cb 0.07 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1nnv s VAL 103 CO -0.09 -0.06 -0.11 0.27 -3.33 0.00 0.00 175.10 171.79 1nnv s ILE 104 N -0.20 3.35 0.12 7.04 -0.00 -0.68 -4.93 121.20 125.89 1nnv s ILE 104 Ca -0.04 -0.68 0.09 0.00 -0.00 0.00 0.00 60.65 60.03 1nnv s ILE 104 Cb -0.03 -2.36 -0.04 0.00 -0.00 0.00 0.00 42.46 40.03 1nnv s ILE 104 CO 0.02 0.55 -0.20 0.26 -0.00 0.00 0.00 174.94 175.57 1nnv s TRP 105 N -0.81 2.49 0.82 1.37 0.52 -1.26 -2.28 118.94 119.80 1nnv s TRP 105 Ca 0.13 -0.29 -0.11 0.00 0.02 0.00 0.00 56.10 55.85 1nnv s TRP 105 Cb -0.11 -1.33 0.09 0.00 -1.15 0.00 0.00 33.47 30.97 1nnv s TRP 105 CO 0.02 0.37 1.14 0.21 0.02 0.00 0.00 176.95 178.71 1nnv s LYS 106 N -2.11 1.71 0.00 4.98 2.20 -1.17 -4.87 119.74 120.48 1nnv s LYS 106 Ca 0.17 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 1nnv s LYS 106 Cb -0.10 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 1nnv s LYS 106 CO 0.09 -2.10 0.02 0.36 -0.36 0.00 0.00 175.35 173.36