#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 1.32 -3.15 1.12 -1.04 -1.26 -5.00 114.28 106.28 1nnv n THR 2 Ca 0.00 -0.33 0.05 0.00 -2.04 0.00 0.00 64.05 61.73 1nnv n THR 2 Cb 0.00 -1.83 -0.00 0.00 -1.82 0.00 0.00 70.33 66.68 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 -2.44 -0.62 -0.72 12.58 -1.32 -1.26 -5.09 115.64 116.77 1nnv s THR 3 Ca -0.33 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1nnv s THR 3 Cb 0.13 -0.60 0.21 0.00 -1.51 0.00 0.00 72.50 70.73 1nnv s THR 3 CO 0.42 0.00 0.67 -1.84 -2.21 0.00 0.00 174.62 171.66 1nnv n GLU 4 N 5.22 2.31 -4.97 7.08 0.28 -1.26 -5.04 120.64 124.26 1nnv n GLU 4 Ca 0.07 -4.57 -0.32 0.00 -0.16 0.00 0.00 57.16 52.18 1nnv n GLU 4 Cb 0.56 -2.30 -0.16 0.00 1.43 0.00 0.00 31.44 30.97 1nnv n GLU 4 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1nnv s ILE 5 N -1.94 2.41 0.00 3.84 -1.09 -1.26 -4.95 121.20 118.21 1nnv s ILE 5 Ca 0.32 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1nnv s ILE 5 Cb 0.04 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 1nnv s ILE 5 CO -0.09 0.54 0.58 0.29 -1.23 0.00 0.00 174.94 175.03 1nnv n LYS 6 N 3.63 0.00 -3.75 2.79 5.02 -1.26 -3.93 118.16 120.67 1nnv n LYS 6 Ca -0.19 -0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 55.59 1nnv n LYS 6 Cb 0.53 -0.25 -0.06 0.00 -0.02 0.00 0.00 35.03 35.23 1nnv n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nnv s LYS 7 N 0.00 1.02 0.06 1.97 1.02 -1.26 -4.81 119.74 117.74 1nnv s LYS 7 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1nnv s LYS 7 Cb 0.00 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.70 1nnv s LYS 7 CO 0.00 -0.38 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.47 1nnv s LEU 8 N -2.84 2.34 0.53 3.17 1.43 -1.26 -4.93 118.68 117.11 1nnv s LEU 8 Ca 0.05 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 1nnv s LEU 8 Cb 0.03 -0.12 -0.07 0.00 0.03 0.00 0.00 46.19 46.06 1nnv s LEU 8 CO -0.10 -0.29 1.11 -1.81 0.23 0.00 0.00 176.35 175.49 1nnv s ASP 9 N -2.04 5.89 0.11 2.29 1.01 -1.26 -4.84 116.67 117.83 1nnv s ASP 9 Ca -0.03 2.12 -0.28 0.00 0.71 0.00 0.00 52.55 55.06 1nnv s ASP 9 Cb -0.05 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 1nnv s ASP 9 CO -0.01 -1.10 1.62 -0.65 0.21 0.00 0.00 175.17 175.24 1nnv h PRO 10 N 1.32 -0.53 -0.04 8.23 0.11 -2.01 0.19 132.00 139.26 1nnv h PRO 10 Ca -0.50 0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1nnv h PRO 10 Cb 1.25 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 1nnv h PRO 10 CO 0.58 -0.36 -0.50 0.22 -0.21 0.00 0.00 178.00 177.73 1nnv h ASP 11 N -0.55 0.12 0.69 -2.05 3.58 -1.99 -2.51 116.42 113.71 1nnv h ASP 11 Ca 0.02 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1nnv h ASP 11 Cb 0.57 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.59 1nnv h ASP 11 CO -0.16 0.60 -0.33 0.74 -2.88 0.00 0.00 179.24 177.22 1nnv h THR 12 N 0.09 0.00 -0.62 2.25 2.02 -1.84 -1.67 112.91 113.14 1nnv h THR 12 Ca 0.00 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.04 1nnv h THR 12 Cb 0.92 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1nnv h THR 12 CO 0.07 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.29 1nnv h ALA 13 N -1.38 0.82 -0.92 6.16 0.00 -1.04 -1.60 119.26 121.30 1nnv h ALA 13 Ca -0.09 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nnv h ALA 13 Cb 0.71 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1nnv h ALA 13 CO 0.15 -0.01 0.60 0.82 0.00 0.00 0.00 179.25 180.81 1nnv h ILE 14 N 0.61 1.07 -0.07 0.00 2.04 -1.48 -1.54 117.51 118.14 1nnv h ILE 14 Ca 0.28 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1nnv h ILE 14 Cb 0.19 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1nnv h ILE 14 CO -0.19 0.19 0.04 -0.78 0.00 0.00 0.00 178.15 177.41 1nnv h ASP 15 N 1.05 0.09 -0.18 1.72 3.58 -0.32 -1.96 116.42 120.39 1nnv h ASP 15 Ca 0.39 -0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.79 1nnv h ASP 15 Cb 0.19 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1nnv h ASP 15 CO -0.15 0.15 -0.01 0.40 -2.88 0.00 0.00 179.24 176.75 1nnv h ILE 16 N 0.02 0.86 -0.87 2.25 1.08 -0.93 -1.90 117.51 118.02 1nnv h ILE 16 Ca 0.02 -0.01 0.11 0.00 -0.39 0.00 0.00 64.86 64.59 1nnv h ILE 16 Cb 0.08 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 1nnv h ILE 16 CO -0.00 0.01 0.56 0.00 -0.69 0.00 0.00 178.15 178.03 1nnv h ALA 17 N 1.16 1.72 0.73 1.87 0.00 -1.18 -2.10 119.26 121.46 1nnv h ALA 17 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nnv h ALA 17 Cb 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nnv h ALA 17 CO -0.15 0.08 -0.35 -0.92 0.00 0.00 0.00 179.25 177.91 1nnv h TYR 18 N 0.79 -0.91 -0.90 0.00 5.03 -0.56 -1.58 116.97 118.84 1nnv h TYR 18 Ca 0.41 -0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.87 1nnv h TYR 18 Cb 0.51 0.30 -0.10 0.00 1.55 0.00 0.00 36.73 38.99 1nnv h TYR 18 CO -0.00 -0.56 0.48 -0.44 -1.32 0.00 0.00 178.16 176.32 1nnv h ASP 19 N -1.01 0.57 0.00 -2.11 5.19 -1.03 -2.06 116.42 115.97 1nnv h ASP 19 Ca -0.10 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nnv h ASP 19 Cb 0.76 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1nnv h ASP 19 CO 0.17 0.21 0.00 -0.38 -3.12 0.00 0.00 179.24 176.11 1nnv n ILE 20 N -4.86 0.00 -0.58 0.35 5.41 -0.83 -2.30 119.36 116.54 1nnv n ILE 20 Ca 0.19 1.45 0.46 0.00 1.00 0.00 0.00 62.75 65.86 1nnv n ILE 20 Cb 0.50 -2.45 0.74 0.00 -0.71 0.00 0.00 39.64 37.71 1nnv n ILE 20 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1nnv n PHE 21 N -1.94 0.36 -0.10 1.39 7.35 -0.61 0.18 117.46 124.08 1nnv n PHE 21 Ca 0.00 0.36 -0.13 0.00 -0.76 0.00 0.00 57.45 56.92 1nnv n PHE 21 Cb 0.00 -0.82 -0.04 0.00 0.35 0.00 0.00 39.48 38.97 1nnv n PHE 21 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1nnv h LEU 22 N 0.00 0.81 0.01 -2.13 5.85 -1.19 -2.68 115.31 115.99 1nnv h LEU 22 Ca 0.90 -0.47 -0.37 0.00 0.84 0.00 0.00 57.88 58.78 1nnv h LEU 22 Cb 3.26 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 43.99 1nnv h LEU 22 CO -0.24 1.11 -2.35 -1.84 -0.34 0.00 0.00 178.44 174.78 1nnv n GLU 23 N -4.22 0.67 0.24 1.25 0.28 0.29 -4.59 120.64 114.56 1nnv n GLU 23 Ca -0.03 0.12 -0.13 0.00 -0.16 0.00 0.00 57.16 56.96 1nnv n GLU 23 Cb 0.48 -1.56 -0.07 0.00 1.43 0.00 0.00 31.44 31.72 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 -0.61 -6.03 3.44 2.86 0.18 -3.43 114.93 111.34 1nnv h MET 24 Ca -0.53 0.04 -0.70 0.00 -2.06 0.00 0.00 59.70 56.45 1nnv h MET 24 Cb 2.03 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.81 1nnv h MET 24 CO -0.02 -0.31 1.29 0.00 1.06 0.00 0.00 176.91 178.93 1nnv n ALA 25 N -2.59 0.68 -1.05 6.32 0.00 -1.01 -4.49 120.51 118.37 1nnv n ALA 25 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nnv n ALA 25 Cb 0.30 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 6.18 -1.62 0.69 0.00 0.00 -1.26 -4.92 105.19 104.27 1nnv n GLY 26 Ca 0.40 0.66 0.11 0.00 0.00 0.00 0.00 46.02 47.19 1nnv n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nnv n GLU 27 N 0.00 1.91 -0.03 1.61 0.00 -1.26 -3.86 120.64 119.01 1nnv n GLU 27 Ca 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 57.16 55.85 1nnv n GLU 27 Cb 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 31.44 29.87 1nnv n GLU 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1nnv n ASN 28 N 0.60 0.45 -4.79 -1.84 6.94 -1.26 -4.95 115.26 110.41 1nnv n ASN 28 Ca 0.17 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.39 1nnv n ASN 28 Cb 0.39 1.72 -0.07 0.00 -2.36 0.00 0.00 39.78 39.47 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1nnv s LEU 29 N -4.57 3.95 0.12 -4.53 0.20 -1.25 -4.75 118.68 107.85 1nnv s LEU 29 Ca -0.08 0.21 -0.35 0.00 0.69 0.00 0.00 54.13 54.60 1nnv s LEU 29 Cb 0.11 -2.19 -0.16 0.00 -0.43 0.00 0.00 46.19 43.53 1nnv s LEU 29 CO 0.81 0.31 1.37 0.47 -0.29 0.00 0.00 176.35 179.02 1nnv n ASP 30 N 1.46 1.94 -0.29 3.68 9.92 -1.23 -4.81 116.55 127.22 1nnv n ASP 30 Ca -0.15 1.12 0.11 0.00 -0.53 0.00 0.00 54.79 55.34 1nnv n ASP 30 Cb 0.53 -1.25 0.27 0.00 -0.64 0.00 0.00 41.12 40.03 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 4.67 0.26 0.15 -0.24 0.11 -1.93 -1.64 132.00 133.37 1nnv h PRO 31 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1nnv h PRO 31 Cb 1.32 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1nnv h PRO 31 CO 0.79 0.17 -0.29 0.00 -0.21 0.00 0.00 178.00 178.46 1nnv h ALA 32 N 1.73 -0.51 -0.25 -0.75 0.00 -1.94 -0.87 119.26 116.67 1nnv h ALA 32 Ca 0.52 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.45 1nnv h ALA 32 Cb 1.01 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1nnv h ALA 32 CO -0.59 -0.83 0.27 -0.44 0.00 0.00 0.00 179.25 177.65 1nnv h ASP 33 N -0.52 0.00 0.35 0.00 3.32 -1.66 -1.74 116.42 116.17 1nnv h ASP 33 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1nnv h ASP 33 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1nnv h ASP 33 CO -0.15 0.00 -0.17 0.40 -1.72 0.00 0.00 179.24 177.60 1nnv h ILE 34 N 0.00 0.64 -0.54 0.35 2.04 -0.75 -0.79 117.51 118.47 1nnv h ILE 34 Ca 0.12 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.63 1nnv h ILE 34 Cb 0.66 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.51 1nnv h ILE 34 CO -0.00 0.09 -0.04 0.25 0.00 0.00 0.00 178.15 178.44 1nnv h LEU 35 N -0.74 -0.32 0.18 1.44 5.85 -1.00 0.30 115.31 121.02 1nnv h LEU 35 Ca -0.05 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1nnv h LEU 35 Cb 0.50 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1nnv h LEU 35 CO 0.08 -0.12 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.90 1nnv h LEU 36 N 0.08 -0.21 -1.80 2.25 3.38 -1.46 0.39 115.31 117.94 1nnv h LEU 36 Ca 0.27 0.01 0.41 0.00 0.09 0.00 0.00 57.88 58.66 1nnv h LEU 36 Cb 0.42 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1nnv h LEU 36 CO -0.49 -0.15 0.98 0.15 0.09 0.00 0.00 178.44 179.02 1nnv h PHE 37 N -0.24 0.19 0.20 1.13 3.57 -0.94 1.26 116.94 122.10 1nnv h PHE 37 Ca -0.02 0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.17 1nnv h PHE 37 Cb 0.19 -0.05 0.03 0.00 2.79 0.00 0.00 35.95 38.90 1nnv h PHE 37 CO 0.19 -0.03 -1.37 -0.91 -2.23 0.00 0.00 178.31 173.95 1nnv h ASN 38 N 0.07 0.69 1.52 0.41 -0.26 -0.11 -3.31 115.58 114.59 1nnv h ASN 38 Ca 0.71 -0.73 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1nnv h ASN 38 Cb 2.61 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 39.65 1nnv h ASN 38 CO -0.13 1.57 -0.40 0.17 -1.06 0.00 0.00 177.43 177.58 1nnv h LEU 39 N 0.13 0.00 -7.06 1.61 8.10 0.46 -3.44 115.31 115.10 1nnv h LEU 39 Ca -0.20 -0.02 -0.30 0.00 0.11 0.00 0.00 57.88 57.47 1nnv h LEU 39 Cb 2.08 0.00 -0.35 0.00 -0.44 0.00 0.00 40.66 41.94 1nnv h LEU 39 CO 0.25 0.01 -0.62 0.00 -4.11 0.00 0.00 178.44 173.97 1nnv s GLN 40 N -3.25 0.11 0.00 0.17 -2.07 0.38 -4.94 119.66 110.06 1nnv s GLN 40 Ca 0.05 0.43 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 1nnv s GLN 40 Cb 0.08 -0.65 0.00 0.00 -1.09 0.00 0.00 33.01 31.34 1nnv s GLN 40 CO 0.71 -0.45 0.00 0.34 -1.32 0.00 0.00 175.29 174.57 1nnv n PHE 41 N 5.33 -0.01 0.07 9.60 7.35 -1.26 -4.08 117.46 134.46 1nnv n PHE 41 Ca -0.05 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.62 1nnv n PHE 41 Cb 0.50 0.00 0.25 0.00 0.35 0.00 0.00 39.48 40.58 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 0.32 0.00 -4.13 4.57 -1.92 0.93 114.58 114.36 1nnv h GLU 42 Ca 0.00 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 57.91 1nnv h GLU 42 Cb 0.00 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1nnv h GLU 42 CO 0.00 0.60 -1.89 -1.91 -1.18 0.00 0.00 179.01 174.63 1nnv n GLU 43 N -4.10 0.65 -2.51 1.92 2.13 -1.26 -4.49 120.64 112.98 1nnv n GLU 43 Ca -0.01 -0.02 -0.13 0.00 0.66 0.00 0.00 57.16 57.66 1nnv n GLU 43 Cb 0.41 -1.61 0.03 0.00 0.27 0.00 0.00 31.44 30.54 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 -2.58 2.44 -3.73 5.31 3.00 -1.17 -4.79 116.66 115.14 1nnv n ARG 44 Ca -0.13 -3.81 -0.36 0.00 -0.01 0.00 0.00 57.85 53.54 1nnv n ARG 44 Cb 0.79 -1.84 -0.10 0.00 0.00 0.00 0.00 32.46 31.32 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 -3.58 1.95 -0.21 -0.13 0.00 0.32 -2.83 107.32 102.84 1nnv s GLY 45 Ca 0.37 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 1nnv s GLY 45 CO -0.02 0.34 0.35 -0.32 0.00 0.00 0.00 173.10 173.45 1nnv s GLY 46 N 0.96 -0.31 -0.27 0.20 0.00 -1.26 -4.75 107.32 101.89 1nnv s GLY 46 Ca 0.07 0.96 -0.06 0.00 0.00 0.00 0.00 44.72 45.68 1nnv s GLY 46 CO 0.03 2.46 0.05 0.14 0.00 0.00 0.00 173.10 175.79 1nnv s VAL 47 N 2.52 3.94 0.32 1.40 1.01 -1.26 -3.61 120.40 124.71 1nnv s VAL 47 Ca 0.08 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1nnv s VAL 47 Cb -0.14 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1nnv s VAL 47 CO -0.14 0.21 0.10 -1.83 0.00 0.00 0.00 175.10 173.45 1nnv s GLU 48 N 1.52 2.38 -0.27 2.72 -1.05 -1.00 -4.99 118.70 118.01 1nnv s GLU 48 Ca 0.04 -1.49 -0.09 0.00 -0.15 0.00 0.00 54.97 53.29 1nnv s GLU 48 Cb -0.16 -2.19 -0.03 0.00 -0.44 0.00 0.00 34.13 31.31 1nnv s GLU 48 CO 0.02 0.20 0.12 0.12 0.95 0.00 0.00 175.26 176.66 1nnv s PHE 49 N -2.38 3.14 0.53 4.83 2.19 -1.26 -1.72 117.98 123.31 1nnv s PHE 49 Ca 0.36 -0.34 0.06 0.00 0.33 0.00 0.00 56.93 57.34 1nnv s PHE 49 Cb -0.04 -2.30 0.03 0.00 -1.31 0.00 0.00 43.02 39.41 1nnv s PHE 49 CO 0.22 -0.34 0.39 0.14 1.83 0.00 0.00 175.22 177.46 1nnv s VAL 50 N 1.65 1.72 0.12 3.12 -7.23 0.36 -4.96 120.40 115.18 1nnv s VAL 50 Ca 0.06 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1nnv s VAL 50 Cb -0.16 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1nnv s VAL 50 CO 0.06 0.00 0.15 -1.83 -0.31 0.00 0.00 175.10 173.17 1nnv s GLU 51 N -4.26 3.06 0.68 4.82 -1.05 -1.26 -2.92 118.70 117.76 1nnv s GLU 51 Ca 0.35 -0.71 -0.15 0.00 -0.15 0.00 0.00 54.97 54.31 1nnv s GLU 51 Cb -0.02 -2.78 0.01 0.00 -0.44 0.00 0.00 34.13 30.90 1nnv s GLU 51 CO 0.21 0.53 1.13 0.99 0.95 0.00 0.00 175.26 179.08 1nnv s THR 52 N -1.60 3.00 0.00 1.83 2.01 -1.26 -4.85 115.64 114.77 1nnv s THR 52 Ca 0.32 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1nnv s THR 52 Cb -0.11 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1nnv s THR 52 CO 0.24 -0.28 0.00 0.00 -0.69 0.00 0.00 174.62 173.89 1nnv n ALA 53 N -2.49 0.00 -0.05 7.40 0.00 -1.26 -4.90 120.51 119.20 1nnv n ALA 53 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1nnv n ALA 53 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 0.17 0.00 0.00 3.58 -1.97 -3.38 116.42 114.82 1nnv h ASP 54 Ca 0.00 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.74 1nnv h ASP 54 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1nnv h ASP 54 CO 0.00 1.57 0.00 -0.90 -2.88 0.00 0.00 179.24 177.03 1nnv n ASP 55 N -4.13 0.00 -0.26 2.28 5.75 -1.26 -4.49 116.55 114.44 1nnv n ASP 55 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.49 1nnv n ASP 55 Cb 0.80 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 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 -1.58 0.00 -1.89 2.11 4.27 -1.26 -0.09 117.44 119.00 1nnv n TRP 56 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1nnv n TRP 56 Cb 0.00 -0.11 0.00 0.00 -1.36 0.00 0.00 31.31 29.84 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 1.12 0.02 -0.04 -2.67 0.28 -1.23 -4.09 120.64 114.03 1nnv n GLU 57 Ca 0.00 -0.97 -0.03 0.00 -0.16 0.00 0.00 57.16 56.00 1nnv n GLU 57 Cb 0.00 -0.51 -0.14 0.00 1.43 0.00 0.00 31.44 32.22 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 -0.02 0.66 -0.01 3.44 -0.58 -1.26 -3.37 120.64 119.49 1nnv n GLU 58 Ca 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 1nnv n GLU 58 Cb 0.68 -1.62 -0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1nnv n GLU 58 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1nnv n GLU 59 N -2.71 0.08 -0.21 3.49 0.00 -1.26 -4.54 120.64 115.48 1nnv n GLU 59 Ca -0.19 0.27 -0.08 0.00 0.00 0.00 0.00 57.16 57.16 1nnv n GLU 59 Cb 0.94 -0.89 0.03 0.00 0.00 0.00 0.00 31.44 31.52 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 -0.17 1.23 0.00 3.84 3.07 -1.88 -3.48 117.51 120.12 1nnv h ILE 60 Ca 0.00 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1nnv h ILE 60 Cb 0.09 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 37.26 1nnv h ILE 60 CO 0.00 0.29 0.00 0.61 -1.05 0.00 0.00 178.15 178.00 1nnv n GLY 61 N -0.78 2.68 3.89 0.16 0.00 -1.22 -5.09 105.19 104.84 1nnv n GLY 61 Ca 0.03 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 -1.70 1.61 0.24 -1.26 -4.43 118.33 112.79 1nnv n VAL 62 Ca 0.00 -1.07 -0.29 0.00 -2.04 0.00 0.00 64.34 60.94 1nnv n VAL 62 Cb 0.00 -1.42 0.10 0.00 -1.47 0.00 0.00 33.84 31.05 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 2.35 0.02 1.34 -0.00 -1.26 -3.58 118.68 117.55 1nnv s LEU 63 Ca 0.75 0.96 0.02 0.00 -0.00 0.00 0.00 54.13 55.86 1nnv s LEU 63 Cb -0.02 -3.43 -0.02 0.00 -0.00 0.00 0.00 46.19 42.72 1nnv s LEU 63 CO 0.52 -2.13 -0.08 -0.63 -0.00 0.00 0.00 176.35 174.03 1nnv s ILE 64 N -3.38 0.58 -0.28 1.48 -1.09 0.87 -4.94 121.20 114.45 1nnv s ILE 64 Ca 0.62 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1nnv s ILE 64 Cb -0.13 -0.56 0.07 0.00 -1.58 0.00 0.00 42.46 40.26 1nnv s ILE 64 CO 0.52 -0.12 -0.05 -1.81 -1.23 0.00 0.00 174.94 172.25 1nnv s ASP 65 N -0.91 4.39 0.67 3.58 1.11 -1.26 -4.17 116.67 120.07 1nnv s ASP 65 Ca -0.03 -1.54 -0.17 0.00 0.18 0.00 0.00 52.55 50.99 1nnv s ASP 65 Cb -0.06 -1.47 0.00 0.00 1.07 0.00 0.00 42.92 42.46 1nnv s ASP 65 CO 0.00 -0.25 1.20 -2.16 1.18 0.00 0.00 175.17 175.15 1nnv s PRO 66 N 1.13 2.54 0.00 8.23 0.04 -1.26 -2.50 135.00 143.18 1nnv s PRO 66 Ca -0.03 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1nnv s PRO 66 Cb -0.19 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1nnv s PRO 66 CO -0.07 -1.53 0.00 0.39 0.04 0.00 0.00 177.00 175.83 1nnv n GLU 67 N -2.22 0.00 -0.00 4.56 1.02 -1.26 -4.71 120.64 118.02 1nnv n GLU 67 Ca 0.13 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.34 1nnv n GLU 67 Cb 0.50 -2.95 -0.09 0.00 -0.02 0.00 0.00 31.44 28.88 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 -2.00 1.18 -4.02 3.49 1.02 -1.04 -4.97 120.64 114.30 1nnv n GLU 68 Ca 0.00 -0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 1nnv n GLU 68 Cb 0.00 -1.25 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.70 0.40 -0.03 -0.32 2.02 -1.23 -3.73 117.35 111.76 1nnv s TYR 69 Ca -0.02 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.16 1nnv s TYR 69 Cb 0.09 -0.26 -0.05 0.00 -0.40 0.00 0.00 41.96 41.34 1nnv s TYR 69 CO 0.55 -0.09 0.42 0.00 -1.57 0.00 0.00 175.55 174.86 1nnv s ALA 70 N -1.00 3.65 -0.16 3.71 0.00 -1.00 -4.56 121.76 122.40 1nnv s ALA 70 Ca -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1nnv s ALA 70 Cb -0.07 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1nnv s ALA 70 CO -0.00 0.38 -0.01 -1.21 0.00 0.00 0.00 175.76 174.91 1nnv s GLU 71 N -0.71 3.73 -0.23 0.00 0.41 -1.15 -2.58 118.70 118.17 1nnv s GLU 71 Ca 0.24 -0.47 -0.03 0.00 -0.41 0.00 0.00 54.97 54.30 1nnv s GLU 71 Cb -0.16 -2.99 0.07 0.00 -1.78 0.00 0.00 34.13 29.27 1nnv s GLU 71 CO 0.13 0.27 0.06 0.54 -0.49 0.00 0.00 175.26 175.77 1nnv s VAL 72 N 0.30 0.48 0.06 2.63 0.11 -0.86 0.14 120.40 123.26 1nnv s VAL 72 Ca -0.02 -0.73 -0.20 0.00 -2.93 0.00 0.00 61.98 58.11 1nnv s VAL 72 Cb -0.14 -1.13 -0.06 0.00 -1.53 0.00 0.00 36.38 33.52 1nnv s VAL 72 CO 0.02 -0.37 0.58 0.26 -3.33 0.00 0.00 175.10 172.25 1nnv s TRP 73 N 1.86 3.78 -0.24 1.54 0.52 -0.70 -2.13 118.94 123.58 1nnv s TRP 73 Ca 0.03 1.26 0.02 0.00 0.02 0.00 0.00 56.10 57.43 1nnv s TRP 73 Cb -0.17 -2.52 0.05 0.00 -1.15 0.00 0.00 33.47 29.68 1nnv s TRP 73 CO -0.15 0.54 -0.12 0.08 0.02 0.00 0.00 176.95 177.31 1nnv s VAL 74 N -0.92 2.05 0.00 4.03 1.01 -0.79 -2.38 120.40 123.41 1nnv s VAL 74 Ca 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1nnv s VAL 74 Cb -0.19 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1nnv s VAL 74 CO 0.19 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1nnv n GLY 75 N 4.51 2.54 2.36 4.51 0.00 -1.24 0.11 105.19 117.98 1nnv n GLY 75 Ca -0.15 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.24 -4.58 0.99 7.94 -0.98 -4.55 117.00 115.58 1nnv n LEU 76 Ca 0.00 -4.56 -0.32 0.00 -1.11 0.00 0.00 56.01 50.02 1nnv n LEU 76 Cb 0.00 0.78 0.14 0.00 0.53 0.00 0.00 43.42 44.87 1nnv n LEU 76 CO 0.00 2.20 0.41 0.52 -1.11 0.00 0.00 177.39 179.41 1nnv n VAL 77 N 0.48 0.32 -3.42 1.96 0.31 -1.13 -4.76 118.33 112.09 1nnv n VAL 77 Ca 0.19 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.40 1nnv n VAL 77 Cb 0.66 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1nnv n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nnv n ASN 78 N -3.02 0.90 0.15 4.52 0.23 -1.16 -3.94 115.26 112.95 1nnv n ASN 78 Ca 0.10 -1.09 0.04 0.00 -0.53 0.00 0.00 54.58 53.10 1nnv n ASN 78 Cb 0.52 -0.01 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 1nnv n ASN 78 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1nnv h GLU 79 N 0.00 0.17 0.00 -3.83 9.09 -1.93 -1.06 114.58 117.03 1nnv h GLU 79 Ca -0.02 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1nnv h GLU 79 Cb 0.06 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1nnv h GLU 79 CO 0.03 0.26 0.00 0.00 0.05 0.00 0.00 179.01 179.35 1nnv n GLN 80 N -4.35 0.08 -2.29 1.06 10.64 -1.26 -4.87 117.38 116.39 1nnv n GLN 80 Ca -0.01 0.34 -0.05 0.00 -1.83 0.00 0.00 57.00 55.45 1nnv n GLN 80 Cb 0.21 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 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 -1.82 -2.41 -4.32 2.61 2.03 -0.40 -5.04 116.55 107.21 1nnv n ASP 81 Ca 0.03 -0.04 -0.33 0.00 0.52 0.00 0.00 54.79 54.97 1nnv n ASP 81 Cb 0.18 -1.53 -0.15 0.00 -0.72 0.00 0.00 41.12 38.90 1nnv n ASP 81 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1nnv s GLU 82 N -4.56 3.21 -0.24 -0.67 0.41 -1.26 -4.90 118.70 110.68 1nnv s GLU 82 Ca 0.04 -0.76 -0.09 0.00 -0.41 0.00 0.00 54.97 53.75 1nnv s GLU 82 Cb -0.02 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 1nnv s GLU 82 CO 0.05 0.22 0.12 1.41 -0.49 0.00 0.00 175.26 176.57 1nnv s MET 83 N 0.29 3.87 -0.01 1.61 -2.45 -1.26 -2.98 119.30 118.36 1nnv s MET 83 Ca -0.13 -0.37 0.08 0.00 -1.25 0.00 0.00 55.69 54.02 1nnv s MET 83 Cb -0.16 -3.44 -0.12 0.00 1.25 0.00 0.00 34.83 32.36 1nnv s MET 83 CO 0.07 -0.06 0.18 -0.25 1.05 0.00 0.00 175.02 176.01 1nnv n ASP 84 N 4.60 3.10 -3.97 1.11 8.00 -1.26 -4.99 116.55 123.14 1nnv n ASP 84 Ca -0.15 -0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.12 1nnv n ASP 84 Cb 0.52 1.36 -0.16 0.00 -0.02 0.00 0.00 41.12 42.82 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1nnv s ASP 85 N -2.90 1.25 -0.03 -2.24 1.01 -1.26 -5.09 116.67 107.42 1nnv s ASP 85 Ca -0.03 -0.19 -0.02 0.00 0.71 0.00 0.00 52.55 53.02 1nnv s ASP 85 Cb 0.05 -0.50 -0.04 0.00 1.01 0.00 0.00 42.92 43.44 1nnv s ASP 85 CO 0.33 0.01 0.09 0.54 0.21 0.00 0.00 175.17 176.36 1nnv s VAL 86 N 0.57 4.87 -0.06 -1.27 0.11 -1.26 -2.32 120.40 121.04 1nnv s VAL 86 Ca -0.09 -0.29 0.13 0.00 -2.93 0.00 0.00 61.98 58.80 1nnv s VAL 86 Cb -0.13 -3.21 -0.20 0.00 -1.53 0.00 0.00 36.38 31.32 1nnv s VAL 86 CO 0.01 0.40 0.21 0.49 -3.33 0.00 0.00 175.10 172.88 1nnv n PHE 87 N 1.33 0.00 -3.83 1.54 3.72 0.30 -4.81 117.46 115.70 1nnv n PHE 87 Ca -0.14 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.28 1nnv n PHE 87 Cb 0.53 -0.45 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.73 -2.33 -0.02 4.37 0.00 -0.82 -3.15 121.76 117.09 1nnv s ALA 88 Ca -0.06 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 1nnv s ALA 88 Cb 0.07 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1nnv s ALA 88 CO 0.57 -1.11 0.05 0.15 0.00 0.00 0.00 175.76 175.43 1nnv s LYS 89 N -2.19 0.06 -0.06 0.00 1.02 -0.87 -1.88 119.74 115.82 1nnv s LYS 89 Ca 0.23 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.34 1nnv s LYS 89 Cb 0.02 0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.34 1nnv s LYS 89 CO -0.02 -0.02 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.18 1nnv s PHE 90 N 0.12 1.69 -0.12 3.18 0.40 -0.90 -1.18 117.98 121.16 1nnv s PHE 90 Ca -0.01 -0.61 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1nnv s PHE 90 Cb -0.01 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 1nnv s PHE 90 CO -0.00 -0.27 -0.15 -0.51 0.70 0.00 0.00 175.22 174.98 1nnv s LEU 91 N 0.45 2.60 -0.04 -0.37 1.43 -0.97 -2.03 118.68 119.74 1nnv s LEU 91 Ca -0.13 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1nnv s LEU 91 Cb -0.15 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1nnv s LEU 91 CO 0.04 0.17 -0.10 0.27 0.23 0.00 0.00 176.35 176.96 1nnv s ILE 92 N 0.34 0.89 0.17 -0.59 -0.00 -1.07 -2.61 121.20 118.33 1nnv s ILE 92 Ca -0.12 -0.37 -0.32 0.00 -0.00 0.00 0.00 60.65 59.84 1nnv s ILE 92 Cb -0.16 -0.82 -0.10 0.00 -0.00 0.00 0.00 42.46 41.38 1nnv s ILE 92 CO 0.06 0.29 1.57 -0.94 -0.00 0.00 0.00 174.94 175.93 1nnv s SER 93 N 0.49 6.58 0.41 4.36 1.04 -0.78 -2.37 113.70 123.42 1nnv s SER 93 Ca -0.09 2.63 0.26 0.00 0.48 0.00 0.00 55.95 59.23 1nnv s SER 93 Cb -0.12 -2.59 0.69 0.00 0.10 0.00 0.00 66.02 64.09 1nnv s SER 93 CO 0.02 -0.83 1.73 0.45 0.98 0.00 0.00 173.24 175.58 1nnv h HIS 94 N 6.78 0.00 -3.80 5.02 -0.00 -1.87 -3.46 115.15 117.81 1nnv h HIS 94 Ca -0.43 0.00 -0.46 0.00 -0.00 0.00 0.00 60.37 59.49 1nnv h HIS 94 Cb 1.20 0.00 0.17 0.00 -0.00 0.00 0.00 27.41 28.78 1nnv h HIS 94 CO 0.65 0.00 0.17 -0.98 -0.00 0.00 0.00 177.93 177.76 1nnv s ARG 95 N -3.29 0.32 -0.01 2.45 3.03 -1.25 -4.18 118.95 116.02 1nnv s ARG 95 Ca 0.06 0.69 -0.00 0.00 2.03 0.00 0.00 55.73 58.51 1nnv s ARG 95 Cb 0.08 -1.71 -0.00 0.00 -1.03 0.00 0.00 34.95 32.28 1nnv s ARG 95 CO 0.61 -2.85 -0.01 1.49 -1.13 0.00 0.00 175.30 173.41 1nnv h GLU 96 N -1.99 0.00 -7.01 3.89 4.57 -1.89 -3.47 114.58 108.68 1nnv h GLU 96 Ca -0.55 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.09 1nnv h GLU 96 Cb 1.32 0.00 0.12 0.00 -0.16 0.00 0.00 28.75 30.03 1nnv h GLU 96 CO 0.55 0.00 0.65 -1.21 -1.18 0.00 0.00 179.01 177.82 1nnv s GLU 97 N -1.07 3.48 0.11 1.92 2.02 -1.26 -4.48 118.70 119.42 1nnv s GLU 97 Ca -0.01 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.30 1nnv s GLU 97 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1nnv s GLU 97 CO 0.01 -0.95 0.00 -3.47 0.02 0.00 0.00 175.26 170.87 1nnv n ASP 98 N -0.53 -8.39 -4.09 -0.19 2.03 -1.26 -4.92 116.55 99.21 1nnv n ASP 98 Ca 0.07 1.57 -0.36 0.00 0.52 0.00 0.00 54.79 56.59 1nnv n ASP 98 Cb 0.43 -4.84 -0.10 0.00 -0.72 0.00 0.00 41.12 35.90 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 -0.51 2.54 -0.15 -0.67 3.00 -1.26 -4.85 118.95 117.06 1nnv s ARG 99 Ca 0.00 -2.54 -0.20 0.00 -1.00 0.00 0.00 55.73 51.99 1nnv s ARG 99 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 34.95 31.20 1nnv s ARG 99 CO 0.00 -1.17 0.59 -2.00 0.00 0.00 0.00 175.30 172.72 1nnv s GLU 100 N -0.08 4.29 -0.09 5.12 2.56 -1.26 -4.93 118.70 124.32 1nnv s GLU 100 Ca 0.17 0.60 -0.07 0.00 0.00 0.00 0.00 54.97 55.67 1nnv s GLU 100 Cb -0.20 -3.51 0.03 0.00 2.00 0.00 0.00 34.13 32.44 1nnv s GLU 100 CO -0.03 -0.06 0.23 -0.59 -0.56 0.00 0.00 175.26 174.24 1nnv s PHE 101 N 1.31 -0.26 -0.03 5.30 -0.71 -1.26 -1.87 117.98 120.47 1nnv s PHE 101 Ca 0.29 0.63 0.02 0.00 -1.04 0.00 0.00 56.93 56.83 1nnv s PHE 101 Cb -0.16 0.08 0.01 0.00 -1.21 0.00 0.00 43.02 41.74 1nnv s PHE 101 CO 0.12 -0.14 -0.06 -3.38 -1.34 0.00 0.00 175.22 170.42 1nnv s HIS 102 N 0.30 0.76 0.06 3.49 -3.43 -1.07 -4.97 115.29 110.43 1nnv s HIS 102 Ca -0.01 -0.19 0.07 0.00 -0.80 0.00 0.00 55.06 54.13 1nnv s HIS 102 Cb -0.03 -0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 30.50 1nnv s HIS 102 CO -0.01 -0.11 -0.14 0.54 -2.00 0.00 0.00 174.74 173.02 1nnv s VAL 103 N 0.39 3.10 -0.07 -5.38 0.11 -1.26 -2.29 120.40 115.00 1nnv s VAL 103 Ca -0.05 -1.17 0.01 0.00 -2.93 0.00 0.00 61.98 57.84 1nnv s VAL 103 Cb -0.09 -2.37 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 1nnv s VAL 103 CO 0.00 0.26 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.31 1nnv s ILE 104 N -1.04 3.49 0.08 7.04 1.09 -0.33 -4.92 121.20 126.61 1nnv s ILE 104 Ca 0.17 -0.55 0.09 0.00 -1.10 0.00 0.00 60.65 59.26 1nnv s ILE 104 Cb -0.11 -2.42 -0.03 0.00 -1.06 0.00 0.00 42.46 38.84 1nnv s ILE 104 CO 0.08 0.58 -0.24 0.26 -0.10 0.00 0.00 174.94 175.53 1nnv s TRP 105 N -0.63 2.04 0.45 3.97 0.52 -1.26 -2.04 118.94 121.99 1nnv s TRP 105 Ca 0.09 -0.40 -0.24 0.00 0.02 0.00 0.00 56.10 55.58 1nnv s TRP 105 Cb -0.11 -1.16 -0.08 0.00 -1.15 0.00 0.00 33.47 30.97 1nnv s TRP 105 CO 0.02 0.19 1.25 0.15 0.02 0.00 0.00 176.95 178.58 1nnv s LYS 106 N -1.60 3.76 0.00 4.98 1.02 -1.19 -4.90 119.74 121.81 1nnv s LYS 106 Ca 0.10 2.00 0.25 0.00 0.02 0.00 0.00 55.97 58.34 1nnv s LYS 106 Cb -0.10 -2.54 0.43 0.00 -0.52 0.00 0.00 37.83 35.10 1nnv s LYS 106 CO 0.04 -0.61 1.40 1.63 -0.92 0.00 0.00 175.35 176.88