#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnv h THR 2 N 0.00 1.18 -5.33 1.12 2.02 -2.12 -3.48 112.91 106.30 1nnv h THR 2 Ca 0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1nnv h THR 2 Cb 0.00 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1nnv h THR 2 CO 0.00 0.24 -0.44 1.07 0.37 0.00 0.00 175.52 176.76 1nnv n THR 3 N -4.28 -4.54 -0.03 3.16 5.66 -1.26 -4.94 114.28 108.06 1nnv n THR 3 Ca -0.00 0.90 -0.04 0.00 -3.05 0.00 0.00 64.05 61.86 1nnv n THR 3 Cb 0.26 -3.50 -0.13 0.00 -1.55 0.00 0.00 70.33 65.40 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 2.19 0.65 -2.53 1.09 1.02 -1.26 -4.93 120.64 116.88 1nnv n GLU 4 Ca -0.09 0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 1nnv n GLU 4 Cb 0.14 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 1nnv n GLU 4 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nnv s ILE 5 N -2.75 3.62 0.69 -3.67 1.01 -1.26 -5.05 121.20 113.79 1nnv s ILE 5 Ca -0.06 1.54 -0.03 0.00 0.00 0.00 0.00 60.65 62.09 1nnv s ILE 5 Cb 0.08 -3.94 0.14 0.00 0.01 0.00 0.00 42.46 38.76 1nnv s ILE 5 CO 0.83 0.29 0.95 0.29 0.00 0.00 0.00 174.94 177.31 1nnv n LYS 6 N 0.93 -0.26 -3.65 2.79 5.02 -1.26 -5.10 118.16 116.63 1nnv n LYS 6 Ca 0.00 -2.30 -0.14 0.00 -2.02 0.00 0.00 58.31 53.84 1nnv n LYS 6 Cb 0.46 -0.72 -0.06 0.00 -0.02 0.00 0.00 35.03 34.70 1nnv n LYS 6 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nnv n LYS 7 N -2.82 0.31 -4.39 1.97 5.02 -1.26 -4.55 118.16 112.45 1nnv n LYS 7 Ca 0.15 -2.46 -0.20 0.00 -2.02 0.00 0.00 58.31 53.78 1nnv n LYS 7 Cb 0.52 2.03 -0.14 0.00 -0.02 0.00 0.00 35.03 37.43 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 2.15 0.41 -0.35 1.43 -1.26 -4.97 118.68 116.09 1nnv s LEU 8 Ca 0.29 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.74 1nnv s LEU 8 Cb 0.01 -0.61 -0.10 0.00 0.03 0.00 0.00 46.19 45.52 1nnv s LEU 8 CO 0.21 0.05 0.97 -1.81 0.23 0.00 0.00 176.35 176.00 1nnv s ASP 9 N -1.02 6.95 0.15 2.29 1.11 -1.26 -4.89 116.67 120.00 1nnv s ASP 9 Ca 0.02 1.79 -0.23 0.00 0.18 0.00 0.00 52.55 54.31 1nnv s ASP 9 Cb -0.07 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.37 1nnv s ASP 9 CO 0.01 -0.35 1.63 -0.65 1.18 0.00 0.00 175.17 176.99 1nnv h PRO 10 N 2.24 -0.26 0.00 8.23 0.11 -2.01 0.42 132.00 140.73 1nnv h PRO 10 Ca -0.48 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1nnv h PRO 10 Cb 1.19 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1nnv h PRO 10 CO 0.62 -0.17 -0.39 0.22 -0.21 0.00 0.00 178.00 178.07 1nnv h ASP 11 N -0.27 0.00 0.45 -2.05 3.58 -1.99 -2.56 116.42 113.58 1nnv h ASP 11 Ca 0.12 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1nnv h ASP 11 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1nnv h ASP 11 CO -0.36 0.39 -0.22 0.74 -2.88 0.00 0.00 179.24 176.91 1nnv h THR 12 N 0.00 0.46 -0.45 2.25 2.02 -1.63 -2.06 112.91 113.49 1nnv h THR 12 Ca -0.00 -0.44 0.05 0.00 0.77 0.00 0.00 66.41 66.78 1nnv h THR 12 Cb 0.69 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1nnv h THR 12 CO 0.05 0.07 0.19 0.00 0.37 0.00 0.00 175.52 176.20 1nnv h ALA 13 N -0.53 0.56 -0.77 6.16 0.00 -0.96 -2.08 119.26 121.63 1nnv h ALA 13 Ca -0.06 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1nnv h ALA 13 Cb 0.58 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1nnv h ALA 13 CO 0.10 -0.18 0.44 0.82 0.00 0.00 0.00 179.25 180.43 1nnv h ILE 14 N 0.39 0.94 0.24 0.00 2.04 -1.48 0.71 117.51 120.33 1nnv h ILE 14 Ca 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1nnv h ILE 14 Cb 0.16 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1nnv h ILE 14 CO -0.18 0.14 -0.15 -0.78 0.00 0.00 0.00 178.15 177.18 1nnv h ASP 15 N 0.76 -0.39 0.96 1.72 3.58 -0.71 -0.47 116.42 121.88 1nnv h ASP 15 Ca 0.36 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 1nnv h ASP 15 Cb 0.28 0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1nnv h ASP 15 CO -0.22 -0.25 -0.46 0.40 -2.88 0.00 0.00 179.24 175.83 1nnv h ILE 16 N -0.38 0.03 -1.05 2.25 2.04 -0.99 -2.57 117.51 116.83 1nnv h ILE 16 Ca -0.02 -0.03 0.28 0.00 1.00 0.00 0.00 64.86 66.09 1nnv h ILE 16 Cb 0.32 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.35 1nnv h ILE 16 CO 0.01 0.00 0.70 0.00 0.00 0.00 0.00 178.15 178.87 1nnv h ALA 17 N -1.30 2.46 0.37 1.87 0.00 -0.88 -0.56 119.26 121.22 1nnv h ALA 17 Ca -0.13 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1nnv h ALA 17 Cb 0.99 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1nnv h ALA 17 CO 0.22 -0.84 -0.18 -0.92 0.00 0.00 0.00 179.25 177.53 1nnv h TYR 18 N 0.28 -0.46 -0.69 0.00 3.20 -0.77 -2.12 116.97 116.41 1nnv h TYR 18 Ca 0.57 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.61 1nnv h TYR 18 Cb 1.67 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 40.06 1nnv h TYR 18 CO -0.00 -0.22 0.48 0.22 -1.64 0.00 0.00 178.16 177.00 1nnv h ASP 19 N -0.61 0.14 0.00 -2.11 3.58 -0.73 -2.38 116.42 114.31 1nnv h ASP 19 Ca -0.05 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1nnv h ASP 19 Cb 0.45 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1nnv h ASP 19 CO 0.08 0.07 0.00 -0.38 -2.88 0.00 0.00 179.24 176.13 1nnv n ILE 20 N -4.40 0.00 -0.69 2.25 5.41 -0.96 -2.31 119.36 118.67 1nnv n ILE 20 Ca 0.13 0.98 0.53 0.00 1.00 0.00 0.00 62.75 65.39 1nnv n ILE 20 Cb 0.66 -1.90 0.82 0.00 -0.71 0.00 0.00 39.64 38.51 1nnv n ILE 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1nnv h PHE 21 N 0.00 0.00 -0.01 1.39 3.57 -1.25 1.10 116.94 121.74 1nnv h PHE 21 Ca 0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 1nnv h PHE 21 Cb 0.00 -0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.76 1nnv h PHE 21 CO 0.11 -0.00 -1.00 1.25 -2.23 0.00 0.00 178.31 176.44 1nnv h LEU 22 N 0.00 0.84 0.05 0.59 5.85 -1.45 -2.55 115.31 118.65 1nnv h LEU 22 Ca 0.92 -0.66 -0.34 0.00 0.84 0.00 0.00 57.88 58.64 1nnv h LEU 22 Cb 3.70 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 44.43 1nnv h LEU 22 CO -0.01 1.46 -1.98 1.21 -0.34 0.00 0.00 178.44 178.78 1nnv n GLU 23 N -3.84 0.69 0.06 1.25 2.13 0.33 -4.47 120.64 116.79 1nnv n GLU 23 Ca -0.10 0.23 -0.17 0.00 0.66 0.00 0.00 57.16 57.78 1nnv n GLU 23 Cb 0.86 -1.70 -0.14 0.00 0.27 0.00 0.00 31.44 30.73 1nnv n GLU 23 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nnv h MET 24 N 0.03 0.25 -6.63 5.31 -0.00 -0.23 -3.46 114.93 110.20 1nnv h MET 24 Ca -0.40 -0.43 -0.52 0.00 -0.00 0.00 0.00 59.70 58.35 1nnv h MET 24 Cb 2.04 0.16 0.05 0.00 -0.00 0.00 0.00 31.60 33.85 1nnv h MET 24 CO 0.06 1.11 0.94 0.00 -0.00 0.00 0.00 176.91 179.02 1nnv s ALA 25 N -2.61 3.85 0.00 -3.00 0.00 -0.96 -4.24 121.76 114.80 1nnv s ALA 25 Ca -0.10 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1nnv s ALA 25 Cb 0.07 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1nnv s ALA 25 CO 0.85 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1nnv n GLY 26 N 3.85 0.99 0.00 0.00 0.00 -1.26 -4.90 105.19 103.87 1nnv n GLY 26 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 1.61 0.28 -1.26 -4.99 120.64 116.28 1nnv n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1nnv n GLU 27 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1nnv n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1nnv n ASN 28 N -0.05 4.31 -4.77 -1.84 2.85 -1.26 -5.04 115.26 109.45 1nnv n ASN 28 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 1nnv n ASN 28 Cb 0.00 0.24 -0.01 0.00 1.24 0.00 0.00 39.78 41.24 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1nnv s LEU 29 N -4.41 4.39 0.22 1.20 0.20 -1.26 -4.91 118.68 114.11 1nnv s LEU 29 Ca 0.00 2.82 -0.29 0.00 0.69 0.00 0.00 54.13 57.35 1nnv s LEU 29 Cb 0.00 -3.65 -0.16 0.00 -0.43 0.00 0.00 46.19 41.95 1nnv s LEU 29 CO 0.00 -0.67 0.77 0.47 -0.29 0.00 0.00 176.35 176.63 1nnv n ASP 30 N 0.80 -0.07 -0.20 3.68 9.92 -1.25 -4.70 116.55 124.74 1nnv n ASP 30 Ca 0.01 1.15 -0.03 0.00 -0.53 0.00 0.00 54.79 55.38 1nnv n ASP 30 Cb 0.41 -1.09 0.03 0.00 -0.64 0.00 0.00 41.12 39.82 1nnv n ASP 30 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nnv h PRO 31 N 1.61 -0.11 0.17 -0.24 0.13 -1.94 -1.68 132.00 129.95 1nnv h PRO 31 Ca -0.34 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1nnv h PRO 31 Cb 1.40 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.51 1nnv h PRO 31 CO 0.60 -0.07 -0.41 0.00 -0.23 0.00 0.00 178.00 177.88 1nnv h ALA 32 N 1.23 -0.76 -0.50 -0.56 0.00 -2.00 -1.04 119.26 115.63 1nnv h ALA 32 Ca 0.26 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1nnv h ALA 32 Cb 0.52 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1nnv h ALA 32 CO -0.66 -0.99 0.41 -0.44 0.00 0.00 0.00 179.25 177.57 1nnv h ASP 33 N -0.68 0.00 -0.24 0.00 5.19 -1.78 -0.01 116.42 118.91 1nnv h ASP 33 Ca 0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1nnv h ASP 33 Cb 0.68 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 1nnv h ASP 33 CO -0.21 0.00 0.02 0.40 -3.12 0.00 0.00 179.24 176.33 1nnv h ILE 34 N 0.00 1.24 0.21 0.35 2.04 -0.29 -0.69 117.51 120.37 1nnv h ILE 34 Ca 0.24 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1nnv h ILE 34 Cb 1.06 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1nnv h ILE 34 CO -0.00 0.26 -0.25 0.25 0.00 0.00 0.00 178.15 178.41 1nnv h LEU 35 N 0.20 -0.70 0.91 1.44 5.85 -0.57 -0.49 115.31 121.95 1nnv h LEU 35 Ca 0.07 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1nnv h LEU 35 Cb 0.37 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1nnv h LEU 35 CO 0.01 -0.36 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.19 1nnv h LEU 36 N -0.51 -1.19 -1.94 2.25 3.38 -1.48 0.43 115.31 116.24 1nnv h LEU 36 Ca 0.01 0.05 0.36 0.00 0.09 0.00 0.00 57.88 58.39 1nnv h LEU 36 Cb 0.50 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1nnv h LEU 36 CO -0.09 -0.79 0.89 0.15 0.09 0.00 0.00 178.44 178.70 1nnv h PHE 37 N -1.29 0.06 0.12 1.13 3.57 -1.08 0.12 116.94 119.57 1nnv h PHE 37 Ca -0.12 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.22 1nnv h PHE 37 Cb 1.00 -0.02 0.02 0.00 2.79 0.00 0.00 35.95 39.75 1nnv h PHE 37 CO -0.05 -0.00 -0.72 -0.91 -2.23 0.00 0.00 178.31 174.40 1nnv h ASN 38 N 0.03 0.41 0.00 0.41 4.21 -0.50 -3.39 115.58 116.75 1nnv h ASN 38 Ca 0.61 -0.96 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1nnv h ASN 38 Cb 2.36 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 39.43 1nnv h ASN 38 CO -0.04 1.35 0.00 0.18 -1.29 0.00 0.00 177.43 177.63 1nnv n LEU 39 N -4.18 2.19 -4.56 1.61 4.32 0.24 -4.57 117.00 112.04 1nnv n LEU 39 Ca -0.13 0.14 -0.42 0.00 -0.02 0.00 0.00 56.01 55.58 1nnv n LEU 39 Cb 0.78 -0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 42.52 1nnv n LEU 39 CO 0.47 -0.05 1.70 0.00 -1.22 0.00 0.00 177.39 178.29 1nnv s GLN 40 N -0.31 3.82 0.00 3.23 -2.07 -0.24 -4.35 119.66 119.74 1nnv s GLN 40 Ca 0.00 -1.66 0.00 0.00 -1.82 0.00 0.00 55.36 51.88 1nnv s GLN 40 Cb 0.00 -5.41 0.00 0.00 -1.09 0.00 0.00 33.01 26.51 1nnv s GLN 40 CO 0.00 -2.19 0.00 0.34 -1.32 0.00 0.00 175.29 172.12 1nnv n PHE 41 N 8.37 0.00 -0.02 9.60 7.35 -1.26 -3.83 117.46 137.67 1nnv n PHE 41 Ca 0.41 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.06 1nnv n PHE 41 Cb 0.48 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.28 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 -0.13 0.07 -4.13 4.81 -1.88 0.33 114.58 113.65 1nnv h GLU 42 Ca 0.00 0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 58.87 1nnv h GLU 42 Cb 0.33 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1nnv h GLU 42 CO 0.00 -0.09 -2.17 0.39 -0.73 0.00 0.00 179.01 176.41 1nnv n GLU 43 N -3.39 0.72 -0.05 1.92 1.02 -1.26 -4.41 120.64 115.19 1nnv n GLU 43 Ca -0.01 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.18 1nnv n GLU 43 Cb 0.10 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 1nnv n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nnv h ARG 44 N 0.04 0.80 -6.08 3.49 -0.00 -1.81 -3.44 114.38 107.38 1nnv h ARG 44 Ca -0.48 -0.59 -0.63 0.00 -0.50 0.00 0.00 59.98 57.78 1nnv h ARG 44 Cb 1.99 0.10 -0.00 0.00 0.00 0.00 0.00 29.97 32.06 1nnv h ARG 44 CO 0.02 1.21 1.34 0.41 0.00 0.00 0.00 179.97 182.95 1nnv n GLY 45 N 0.57 0.99 3.01 0.04 0.00 0.11 -1.92 105.19 108.00 1nnv n GLY 45 Ca -0.06 0.86 -0.10 0.00 0.00 0.00 0.00 46.02 46.72 1nnv n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nnv s GLY 46 N 6.53 0.34 -0.25 -0.02 0.00 -0.13 -4.82 107.32 108.96 1nnv s GLY 46 Ca 1.01 -0.71 -0.02 0.00 0.00 0.00 0.00 44.72 45.00 1nnv s GLY 46 CO 0.46 -0.78 0.07 0.14 0.00 0.00 0.00 173.10 172.99 1nnv s VAL 47 N -1.72 0.53 0.12 1.40 1.01 -1.26 -1.40 120.40 119.07 1nnv s VAL 47 Ca -0.12 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1nnv s VAL 47 Cb -0.08 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1nnv s VAL 47 CO -0.02 -0.46 0.40 -1.61 0.00 0.00 0.00 175.10 173.42 1nnv s GLU 48 N 1.82 3.71 -0.13 2.72 0.41 -0.67 -4.92 118.70 121.64 1nnv s GLU 48 Ca 0.04 0.08 -0.12 0.00 -0.41 0.00 0.00 54.97 54.57 1nnv s GLU 48 Cb -0.17 -2.91 -0.05 0.00 -1.78 0.00 0.00 34.13 29.23 1nnv s GLU 48 CO -0.19 0.50 0.26 0.12 -0.49 0.00 0.00 175.26 175.46 1nnv s PHE 49 N -1.54 3.54 0.39 1.61 2.19 -1.26 -1.43 117.98 121.47 1nnv s PHE 49 Ca 0.37 0.62 0.04 0.00 0.33 0.00 0.00 56.93 58.29 1nnv s PHE 49 Cb -0.13 -2.21 -0.03 0.00 -1.31 0.00 0.00 43.02 39.34 1nnv s PHE 49 CO 0.21 0.44 0.14 0.14 1.83 0.00 0.00 175.22 177.98 1nnv s VAL 50 N -0.19 0.55 0.09 3.12 -7.23 0.73 -4.99 120.40 112.48 1nnv s VAL 50 Ca 0.16 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.41 1nnv s VAL 50 Cb -0.13 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1nnv s VAL 50 CO 0.05 0.00 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.09 1nnv s GLU 51 N -3.71 2.06 1.02 4.82 2.02 -1.26 -2.80 118.70 120.85 1nnv s GLU 51 Ca 0.27 -1.03 -0.20 0.00 0.02 0.00 0.00 54.97 54.03 1nnv s GLU 51 Cb 0.03 -2.25 -0.06 0.00 0.10 0.00 0.00 34.13 31.95 1nnv s GLU 51 CO 0.16 0.52 -0.61 2.41 0.02 0.00 0.00 175.26 177.76 1nnv n THR 52 N 0.98 0.00 -3.86 3.63 -1.04 -1.25 -4.85 114.28 107.90 1nnv n THR 52 Ca -0.15 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1nnv n THR 52 Cb 0.52 -0.28 -0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1nnv n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nnv n ALA 53 N -3.54 0.00 -1.95 2.41 0.00 -1.26 -4.64 120.51 111.53 1nnv n ALA 53 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 1nnv n ALA 53 Cb 0.64 0.01 0.03 0.00 0.00 0.00 0.00 19.45 20.12 1nnv n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nnv n ASP 54 N -1.30 5.31 -2.16 0.00 8.00 -1.26 -3.92 116.55 121.22 1nnv n ASP 54 Ca -0.00 -3.75 -0.02 0.00 0.71 0.00 0.00 54.79 51.73 1nnv n ASP 54 Cb 0.01 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 1nnv n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nnv n ASP 55 N -0.73 -0.62 0.26 -2.24 2.03 -1.26 -5.00 116.55 108.99 1nnv n ASP 55 Ca 0.46 -1.34 0.16 0.00 0.52 0.00 0.00 54.79 54.59 1nnv n ASP 55 Cb 0.91 0.56 0.59 0.00 -0.72 0.00 0.00 41.12 42.46 1nnv n ASP 55 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1nnv h TRP 56 N 0.61 0.00 0.00 -0.67 4.06 -1.85 -3.37 115.95 114.73 1nnv h TRP 56 Ca -0.35 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.23 1nnv h TRP 56 Cb 1.14 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 29.33 1nnv h TRP 56 CO -0.12 0.00 2.04 -0.85 -3.56 0.00 0.00 178.44 175.95 1nnv n GLU 57 N -3.05 1.25 0.14 0.49 0.28 -1.24 -3.09 120.64 115.42 1nnv n GLU 57 Ca 0.01 -1.28 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 1nnv n GLU 57 Cb 0.34 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.75 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 5.43 0.00 0.14 3.44 -0.58 -1.26 -4.63 120.64 123.17 1nnv n GLU 58 Ca 0.36 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 57.03 1nnv n GLU 58 Cb 0.19 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.03 1nnv n GLU 58 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1nnv h GLU 59 N 0.00 -0.40 0.00 3.49 3.07 -1.87 -3.35 114.58 115.52 1nnv h GLU 59 Ca 0.00 0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1nnv h GLU 59 Cb 0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1nnv h GLU 59 CO 0.00 -0.27 -0.90 -0.84 -1.40 0.00 0.00 179.01 175.60 1nnv h ILE 60 N -1.01 0.42 0.00 3.13 3.07 -1.94 -3.48 117.51 117.70 1nnv h ILE 60 Ca -0.04 -1.71 0.00 0.00 1.55 0.00 0.00 64.86 64.66 1nnv h ILE 60 Cb 0.32 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 1nnv h ILE 60 CO 0.07 0.24 0.00 0.61 -1.05 0.00 0.00 178.15 178.02 1nnv n GLY 61 N 1.26 2.16 3.46 0.16 0.00 -1.24 -5.00 105.19 105.99 1nnv n GLY 61 Ca -0.03 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 1.74 -2.55 1.61 3.14 -1.26 -4.08 118.33 116.92 1nnv n VAL 62 Ca 0.00 -0.40 -0.41 0.00 -2.96 0.00 0.00 64.34 60.57 1nnv n VAL 62 Cb 0.00 -0.73 -0.04 0.00 -1.06 0.00 0.00 33.84 32.01 1nnv n VAL 62 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1nnv s LEU 63 N -0.18 4.50 -0.14 6.55 -0.00 -1.26 -3.59 118.68 124.56 1nnv s LEU 63 Ca 0.65 2.05 -0.01 0.00 -0.00 0.00 0.00 54.13 56.82 1nnv s LEU 63 Cb -0.35 -3.60 0.04 0.00 -0.00 0.00 0.00 46.19 42.28 1nnv s LEU 63 CO 0.58 -0.18 -0.04 -0.63 -0.00 0.00 0.00 176.35 176.08 1nnv s ILE 64 N -0.26 0.89 -0.09 1.48 -1.09 -1.26 -5.01 121.20 115.86 1nnv s ILE 64 Ca 0.49 -0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 1nnv s ILE 64 Cb -0.28 -1.06 -0.03 0.00 -1.58 0.00 0.00 42.46 39.50 1nnv s ILE 64 CO 0.34 0.17 1.33 -1.81 -1.23 0.00 0.00 174.94 173.74 1nnv s ASP 65 N 1.74 6.91 0.69 3.58 1.01 -1.26 -4.74 116.67 124.60 1nnv s ASP 65 Ca 0.02 1.88 -0.16 0.00 0.71 0.00 0.00 52.55 55.01 1nnv s ASP 65 Cb -0.14 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.26 1nnv s ASP 65 CO -0.07 -0.73 1.19 -2.16 0.21 0.00 0.00 175.17 173.61 1nnv s PRO 66 N 3.01 2.41 0.00 8.23 0.04 -1.25 -2.59 135.00 144.84 1nnv s PRO 66 Ca 0.59 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1nnv s PRO 66 Cb -0.26 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1nnv s PRO 66 CO 0.21 -1.62 0.00 0.39 0.04 0.00 0.00 177.00 176.02 1nnv n GLU 67 N -2.45 -0.55 -0.00 4.56 -0.58 -1.26 -4.71 120.64 115.65 1nnv n GLU 67 Ca 0.13 0.14 0.05 0.00 -0.42 0.00 0.00 57.16 57.05 1nnv n GLU 67 Cb 0.50 -4.12 -0.07 0.00 -0.57 0.00 0.00 31.44 27.19 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 -1.29 1.70 -4.34 3.49 1.02 -1.07 -5.02 120.64 115.15 1nnv n GLU 68 Ca 0.00 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 1nnv n GLU 68 Cb 0.14 -1.12 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.36 1.85 -0.23 -0.32 1.51 -1.24 -1.18 117.35 115.38 1nnv s TYR 69 Ca -0.01 -0.46 -0.07 0.00 -1.01 0.00 0.00 57.07 55.53 1nnv s TYR 69 Cb 0.06 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1nnv s TYR 69 CO 0.39 0.33 0.05 0.00 -1.11 0.00 0.00 175.55 175.22 1nnv s ALA 70 N -1.97 3.17 0.03 3.71 0.00 0.10 -3.75 121.76 123.05 1nnv s ALA 70 Ca 0.15 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1nnv s ALA 70 Cb -0.06 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1nnv s ALA 70 CO 0.07 -0.29 -0.15 -1.83 0.00 0.00 0.00 175.76 173.56 1nnv s GLU 71 N 1.26 2.23 -0.03 0.00 -1.05 -1.12 -0.91 118.70 119.08 1nnv s GLU 71 Ca 0.04 -0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 53.93 1nnv s GLU 71 Cb -0.15 -2.29 0.01 0.00 -0.44 0.00 0.00 34.13 31.26 1nnv s GLU 71 CO 0.03 0.56 0.10 0.08 0.95 0.00 0.00 175.26 176.98 1nnv s VAL 72 N -0.93 0.03 -0.03 1.83 1.01 -0.93 -0.19 120.40 121.18 1nnv s VAL 72 Ca 0.15 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1nnv s VAL 72 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1nnv s VAL 72 CO 0.06 -0.12 -0.16 0.26 0.00 0.00 0.00 175.10 175.13 1nnv s TRP 73 N -0.38 2.65 -0.19 5.22 0.51 -0.52 -0.56 118.94 125.68 1nnv s TRP 73 Ca -0.04 -0.20 0.00 0.00 -2.12 0.00 0.00 56.10 53.74 1nnv s TRP 73 Cb -0.03 -1.59 0.04 0.00 -0.81 0.00 0.00 33.47 31.08 1nnv s TRP 73 CO 0.00 0.18 -0.08 0.08 -0.51 0.00 0.00 176.95 176.62 1nnv s VAL 74 N -0.76 1.42 0.00 4.03 1.01 -0.78 -1.66 120.40 123.65 1nnv s VAL 74 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1nnv s VAL 74 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1nnv s VAL 74 CO 0.01 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1nnv n GLY 75 N 4.76 4.44 3.43 4.51 0.00 -0.50 -0.40 105.19 121.44 1nnv n GLY 75 Ca -0.14 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 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 2.45 0.00 0.99 2.01 -1.04 -0.96 118.68 122.13 1nnv s LEU 76 Ca 0.00 -0.83 0.00 0.00 0.01 0.00 0.00 54.13 53.31 1nnv s LEU 76 Cb 0.00 -1.21 0.00 0.00 0.01 0.00 0.00 46.19 44.99 1nnv s LEU 76 CO 0.00 0.13 0.00 0.52 1.01 0.00 0.00 176.35 178.01 1nnv n VAL 77 N 0.36 0.00 -2.09 -1.59 0.31 -0.81 -4.47 118.33 110.04 1nnv n VAL 77 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1nnv n VAL 77 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 -1.21 0.55 0.00 4.52 3.02 -1.26 -4.59 115.26 116.29 1nnv n ASN 78 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1nnv n ASN 78 Cb 0.00 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.00 0.01 0.00 3.52 -0.58 -1.26 -3.66 120.64 118.67 1nnv n GLU 79 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.83 1nnv n GLU 79 Cb 0.00 -1.51 0.39 0.00 -0.57 0.00 0.00 31.44 29.75 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nnv n GLN 80 N -1.52 0.07 -2.57 3.49 10.64 -1.26 -4.93 117.38 121.30 1nnv n GLN 80 Ca 0.06 0.18 -0.05 0.00 -1.83 0.00 0.00 57.00 55.36 1nnv n GLN 80 Cb 0.34 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.23 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 -1.44 -6.58 0.00 2.61 -0.08 -1.24 -5.07 116.55 104.76 1nnv n ASP 81 Ca 0.05 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1nnv n ASP 81 Cb 0.18 -4.39 0.00 0.00 2.34 0.00 0.00 41.12 39.26 1nnv n ASP 81 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1nnv n GLU 82 N -0.58 0.00 0.00 -0.67 4.07 -1.26 -5.07 120.64 117.12 1nnv n GLU 82 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1nnv n GLU 82 Cb 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.76 1nnv n GLU 82 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1nnv n MET 83 N 0.00 0.00 -4.33 5.31 0.00 -1.26 -4.76 117.12 112.07 1nnv n MET 83 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.32 1nnv n MET 83 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1nnv n MET 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1nnv n ASP 84 N -0.73 -2.46 0.00 6.12 2.03 -1.26 -4.56 116.55 115.68 1nnv n ASP 84 Ca 0.00 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.20 1nnv n ASP 84 Cb 0.00 -2.31 0.00 0.00 -0.72 0.00 0.00 41.12 38.09 1nnv n ASP 84 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1nnv n ASP 85 N -2.61 0.00 -4.77 1.67 8.00 -1.26 -5.03 116.55 112.54 1nnv n ASP 85 Ca 0.06 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 1nnv n ASP 85 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.54 1nnv n ASP 85 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nnv s VAL 86 N 0.00 4.97 -0.20 2.53 0.11 -1.26 -2.50 120.40 124.05 1nnv s VAL 86 Ca 0.00 1.13 -0.13 0.00 -2.93 0.00 0.00 61.98 60.05 1nnv s VAL 86 Cb 0.00 -3.88 -0.20 0.00 -1.53 0.00 0.00 36.38 30.77 1nnv s VAL 86 CO 0.00 0.43 0.12 0.49 -3.33 0.00 0.00 175.10 172.81 1nnv n PHE 87 N 2.73 0.82 -4.18 1.54 3.72 0.47 -4.91 117.46 117.65 1nnv n PHE 87 Ca -0.08 0.27 -0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1nnv n PHE 87 Cb 0.51 -1.09 -0.10 0.00 -0.94 0.00 0.00 39.48 37.86 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 1.04 -0.00 4.37 0.00 -1.00 -2.64 121.76 121.07 1nnv s ALA 88 Ca -0.29 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.23 1nnv s ALA 88 Cb 0.08 0.47 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 1nnv s ALA 88 CO 0.63 -0.34 -0.02 0.15 0.00 0.00 0.00 175.76 176.18 1nnv s LYS 89 N -3.92 0.20 0.19 0.00 1.02 -0.63 -1.87 119.74 114.72 1nnv s LYS 89 Ca 0.18 -0.09 0.11 0.00 0.02 0.00 0.00 55.97 56.19 1nnv s LYS 89 Cb 0.06 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 1nnv s LYS 89 CO -0.01 0.05 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.18 1nnv s PHE 90 N -0.08 2.21 -0.04 3.18 0.40 0.27 -0.70 117.98 123.23 1nnv s PHE 90 Ca 0.01 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1nnv s PHE 90 Cb -0.01 -1.10 0.03 0.00 0.51 0.00 0.00 43.02 42.45 1nnv s PHE 90 CO -0.00 0.47 0.06 -0.51 0.70 0.00 0.00 175.22 175.93 1nnv s LEU 91 N -2.65 0.25 -0.05 -0.37 1.43 0.46 -2.19 118.68 115.56 1nnv s LEU 91 Ca 0.20 0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1nnv s LEU 91 Cb -0.08 -0.13 0.03 0.00 0.03 0.00 0.00 46.19 46.04 1nnv s LEU 91 CO 0.09 -0.24 -0.01 0.27 0.23 0.00 0.00 176.35 176.69 1nnv s ILE 92 N 2.04 0.39 0.04 -0.59 -4.36 -0.09 -0.58 121.20 118.05 1nnv s ILE 92 Ca 0.03 0.03 -0.35 0.00 -0.26 0.00 0.00 60.65 60.10 1nnv s ILE 92 Cb -0.12 -0.49 -0.14 0.00 1.25 0.00 0.00 42.46 42.97 1nnv s ILE 92 CO -0.03 0.22 1.66 -1.54 0.24 0.00 0.00 174.94 175.50 1nnv n SER 93 N 4.54 3.00 -0.32 4.36 3.41 -0.98 0.01 113.62 127.63 1nnv n SER 93 Ca -0.18 1.05 0.04 0.00 -0.26 0.00 0.00 58.87 59.52 1nnv n SER 93 Cb 0.50 -1.36 0.18 0.00 -0.26 0.00 0.00 64.21 63.27 1nnv n SER 93 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1nnv h HIS 94 N 6.97 0.98 -3.57 7.33 3.86 -1.47 -3.43 115.15 125.82 1nnv h HIS 94 Ca -0.47 0.03 -0.56 0.00 -1.16 0.00 0.00 60.37 58.21 1nnv h HIS 94 Cb 1.27 -0.31 0.13 0.00 1.06 0.00 0.00 27.41 29.57 1nnv h HIS 94 CO 0.72 0.43 0.44 2.89 0.86 0.00 0.00 177.93 183.27 1nnv n ARG 95 N -4.67 1.75 0.09 2.45 1.85 -1.26 -4.62 116.66 112.24 1nnv n ARG 95 Ca 0.15 0.63 -0.07 0.00 -1.00 0.00 0.00 57.85 57.55 1nnv n ARG 95 Cb 0.27 -2.36 0.03 0.00 -1.05 0.00 0.00 32.46 29.35 1nnv n ARG 95 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1nnv h GLU 96 N 1.79 0.20 -7.18 2.89 4.22 -1.95 -3.40 114.58 111.16 1nnv h GLU 96 Ca -0.48 -0.19 -0.51 0.00 0.08 0.00 0.00 59.36 58.26 1nnv h GLU 96 Cb 1.31 0.05 0.11 0.00 0.50 0.00 0.00 28.75 30.72 1nnv h GLU 96 CO 0.58 0.89 0.39 -1.21 -2.18 0.00 0.00 179.01 177.48 1nnv s GLU 97 N -3.37 2.69 0.00 1.92 2.02 -1.26 -3.93 118.70 116.76 1nnv s GLU 97 Ca -0.03 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.48 1nnv s GLU 97 Cb 0.11 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1nnv s GLU 97 CO 0.82 -1.36 0.00 -0.25 0.02 0.00 0.00 175.26 174.48 1nnv n ASP 98 N -2.36 0.00 -2.46 -0.19 9.92 -1.26 -4.70 116.55 115.50 1nnv n ASP 98 Ca 0.11 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.34 1nnv n ASP 98 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1nnv n ASP 98 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1nnv n ARG 99 N 0.00 -2.16 -4.14 -1.24 0.00 -1.25 -5.02 116.66 102.85 1nnv n ARG 99 Ca 0.00 1.94 -0.34 0.00 -0.00 0.00 0.00 57.85 59.45 1nnv n ARG 99 Cb 0.00 -4.45 -0.14 0.00 0.00 0.00 0.00 32.46 27.87 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 -1.74 3.41 -0.03 -0.14 0.41 -1.26 -5.00 118.70 114.34 1nnv s GLU 100 Ca 0.10 -0.62 0.07 0.00 -0.41 0.00 0.00 54.97 54.11 1nnv s GLU 100 Cb -0.03 -2.92 -0.02 0.00 -1.78 0.00 0.00 34.13 29.38 1nnv s GLU 100 CO 0.58 -0.06 -0.24 -0.59 -0.49 0.00 0.00 175.26 174.45 1nnv s PHE 101 N 1.12 2.40 -0.03 1.61 -0.71 -1.26 -2.32 117.98 118.80 1nnv s PHE 101 Ca 0.01 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 55.45 1nnv s PHE 101 Cb -0.15 -1.54 0.03 0.00 -1.21 0.00 0.00 43.02 40.16 1nnv s PHE 101 CO -0.01 -0.04 0.02 -3.38 -1.34 0.00 0.00 175.22 170.47 1nnv s HIS 102 N -0.54 0.18 -0.01 3.49 -3.43 0.25 -4.97 115.29 110.27 1nnv s HIS 102 Ca 0.08 0.07 0.07 0.00 -0.80 0.00 0.00 55.06 54.48 1nnv s HIS 102 Cb -0.11 -0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 30.68 1nnv s HIS 102 CO 0.00 -0.12 -0.23 0.54 -2.00 0.00 0.00 174.74 172.93 1nnv s VAL 103 N 1.13 1.81 -0.10 -5.38 0.11 -1.26 -0.40 120.40 116.31 1nnv s VAL 103 Ca -0.08 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 57.95 1nnv s VAL 103 Cb -0.13 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1nnv s VAL 103 CO -0.02 0.46 -0.18 0.27 -3.33 0.00 0.00 175.10 172.30 1nnv s ILE 104 N -0.59 2.66 0.09 7.04 -0.00 0.12 -4.95 121.20 125.57 1nnv s ILE 104 Ca 0.09 -0.82 0.05 0.00 -0.00 0.00 0.00 60.65 59.97 1nnv s ILE 104 Cb -0.09 -2.07 -0.04 0.00 -0.00 0.00 0.00 42.46 40.27 1nnv s ILE 104 CO -0.00 0.55 0.00 0.26 -0.00 0.00 0.00 174.94 175.75 1nnv s TRP 105 N 0.15 3.00 0.88 1.37 0.52 -1.26 -1.60 118.94 122.00 1nnv s TRP 105 Ca -0.09 -0.02 -0.10 0.00 0.02 0.00 0.00 56.10 55.90 1nnv s TRP 105 Cb -0.16 -1.54 0.13 0.00 -1.15 0.00 0.00 33.47 30.75 1nnv s TRP 105 CO 0.06 0.48 1.15 0.15 0.02 0.00 0.00 176.95 178.81 1nnv s LYS 106 N -2.29 1.23 0.00 4.98 1.02 -1.08 -4.89 119.74 118.71 1nnv s LYS 106 Ca 0.26 1.54 0.00 0.00 0.02 0.00 0.00 55.97 57.78 1nnv s LYS 106 Cb -0.12 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1nnv s LYS 106 CO 0.18 -2.47 0.31 0.36 -0.92 0.00 0.00 175.35 172.81