#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 -4.16 3.17 -1.04 -1.26 -5.16 114.28 105.83 1nnv n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nnv n THR 2 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1nnv n THR 2 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1nnv n THR 3 N -0.76 0.00 -1.09 12.58 -2.24 -1.26 -5.01 114.28 116.50 1nnv n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1nnv n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 3.36 0.00 -4.23 -0.78 -0.58 -1.26 -4.88 120.64 112.26 1nnv n GLU 4 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1nnv n GLU 4 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 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 0.00 1.24 -0.64 -3.67 1.01 -1.26 -5.10 121.20 112.78 1nnv s ILE 5 Ca 0.00 -1.79 -0.22 0.00 0.00 0.00 0.00 60.65 58.65 1nnv s ILE 5 Cb 0.00 -1.58 0.08 0.00 0.01 0.00 0.00 42.46 40.97 1nnv s ILE 5 CO 0.00 -0.51 0.90 -0.54 0.00 0.00 0.00 174.94 174.78 1nnv s LYS 6 N -2.94 3.10 -0.12 2.79 3.01 -1.26 -5.02 119.74 119.30 1nnv s LYS 6 Ca 0.10 -0.93 -0.14 0.00 -1.01 0.00 0.00 55.97 53.99 1nnv s LYS 6 Cb -0.03 -4.23 -0.05 0.00 -1.01 0.00 0.00 37.83 32.51 1nnv s LYS 6 CO 0.02 -1.74 0.32 -1.59 0.51 0.00 0.00 175.35 172.88 1nnv s LYS 7 N 3.73 4.12 0.93 1.68 -2.85 -1.26 -4.40 119.74 121.69 1nnv s LYS 7 Ca 0.20 0.18 -0.14 0.00 -1.00 0.00 0.00 55.97 55.20 1nnv s LYS 7 Cb -0.19 -3.37 -0.03 0.00 -2.06 0.00 0.00 37.83 32.19 1nnv s LYS 7 CO 0.09 0.37 0.06 1.28 0.10 0.00 0.00 175.35 177.25 1nnv n LEU 8 N 3.10 -1.88 -4.83 2.77 4.77 -1.26 -4.95 117.00 114.72 1nnv n LEU 8 Ca -0.12 0.32 -0.32 0.00 -0.03 0.00 0.00 56.01 55.85 1nnv n LEU 8 Cb 0.52 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.49 1nnv n LEU 8 CO 0.39 -4.31 0.66 -1.81 -1.33 0.00 0.00 177.39 170.99 1nnv s ASP 9 N -1.65 6.74 0.07 -1.43 1.11 -1.26 -4.89 116.67 115.36 1nnv s ASP 9 Ca 0.53 1.61 -0.36 0.00 0.18 0.00 0.00 52.55 54.51 1nnv s ASP 9 Cb -0.22 -2.52 -0.18 0.00 1.07 0.00 0.00 42.92 41.07 1nnv s ASP 9 CO 0.71 -0.50 1.55 1.55 1.18 0.00 0.00 175.17 179.67 1nnv h PRO 10 N 1.31 -1.08 0.00 8.23 0.13 -2.00 0.92 132.00 139.51 1nnv h PRO 10 Ca -0.48 0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 1nnv h PRO 10 Cb 1.18 0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 1nnv h PRO 10 CO 0.61 -0.72 -0.25 0.38 -0.23 0.00 0.00 178.00 177.80 1nnv h ASP 11 N -1.12 0.00 0.28 1.44 2.03 -1.99 -2.05 116.42 115.01 1nnv h ASP 11 Ca -0.09 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.20 1nnv h ASP 11 Cb 0.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 1nnv h ASP 11 CO 0.04 0.25 -0.13 0.74 -1.03 0.00 0.00 179.24 179.10 1nnv h THR 12 N 0.00 0.74 0.26 1.15 2.02 -1.87 -2.57 112.91 112.64 1nnv h THR 12 Ca -0.00 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1nnv h THR 12 Cb 0.49 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1nnv h THR 12 CO 0.03 0.13 -0.12 0.00 0.37 0.00 0.00 175.52 175.93 1nnv h ALA 13 N -0.15 -0.34 -1.10 6.16 0.00 -0.75 -2.47 119.26 120.61 1nnv h ALA 13 Ca -0.04 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.08 1nnv h ALA 13 Cb 0.49 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1nnv h ALA 13 CO 0.06 -0.66 0.70 0.82 0.00 0.00 0.00 179.25 180.18 1nnv h ILE 14 N -0.41 0.42 -0.56 0.00 2.04 -1.45 0.70 117.51 118.25 1nnv h ILE 14 Ca -0.04 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 1nnv h ILE 14 Cb 0.31 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1nnv h ILE 14 CO 0.06 0.06 -0.09 -0.78 0.00 0.00 0.00 178.15 177.39 1nnv h ASP 15 N 0.32 1.05 0.67 1.72 1.82 -1.02 -2.27 116.42 118.71 1nnv h ASP 15 Ca 0.65 -0.34 -0.03 0.00 -0.39 0.00 0.00 57.03 56.92 1nnv h ASP 15 Cb 1.75 -0.28 0.01 0.00 0.68 0.00 0.00 39.33 41.48 1nnv h ASP 15 CO -0.34 1.14 -0.32 0.40 -1.61 0.00 0.00 179.24 178.51 1nnv h ILE 16 N 0.93 0.00 -1.05 2.25 1.08 0.71 -2.63 117.51 118.81 1nnv h ILE 16 Ca 0.15 -0.12 0.27 0.00 -0.39 0.00 0.00 64.86 64.77 1nnv h ILE 16 Cb 0.66 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.31 1nnv h ILE 16 CO 0.05 0.00 0.66 0.00 -0.69 0.00 0.00 178.15 178.17 1nnv h ALA 17 N -1.46 2.15 0.33 1.87 0.00 -1.33 -0.28 119.26 120.53 1nnv h ALA 17 Ca -0.09 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nnv h ALA 17 Cb 0.69 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nnv h ALA 17 CO 0.15 -0.59 -0.25 -0.92 0.00 0.00 0.00 179.25 177.64 1nnv h TYR 18 N 0.42 -0.66 -0.63 0.00 5.03 -1.27 -1.75 116.97 118.11 1nnv h TYR 18 Ca 0.62 -0.00 0.15 0.00 2.58 0.00 0.00 58.73 62.08 1nnv h TYR 18 Cb 1.50 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.99 1nnv h TYR 18 CO -0.00 -0.38 0.44 -0.44 -1.32 0.00 0.00 178.16 176.45 1nnv h ASP 19 N -0.58 0.16 0.00 -2.11 5.19 -0.69 -2.52 116.42 115.88 1nnv h ASP 19 Ca -0.02 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1nnv h ASP 19 Cb 0.51 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1nnv h ASP 19 CO -0.01 0.09 0.00 -0.38 -3.12 0.00 0.00 179.24 175.82 1nnv n ILE 20 N -4.42 0.00 -0.65 0.35 5.41 -0.70 -2.47 119.36 116.88 1nnv n ILE 20 Ca 0.12 1.20 0.51 0.00 1.00 0.00 0.00 62.75 65.58 1nnv n ILE 20 Cb 0.58 -2.16 0.81 0.00 -0.71 0.00 0.00 39.64 38.15 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 0.03 -0.34 1.39 3.57 -1.32 1.65 116.94 121.92 1nnv h PHE 21 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1nnv h PHE 21 Cb 0.00 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1nnv h PHE 21 CO 0.13 -0.01 0.06 1.25 -2.23 0.00 0.00 178.31 177.51 1nnv h LEU 22 N 0.00 0.53 0.00 0.59 5.85 -1.30 -2.24 115.31 118.75 1nnv h LEU 22 Ca 0.89 -0.25 -0.29 0.00 0.84 0.00 0.00 57.88 59.07 1nnv h LEU 22 Cb 3.55 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 44.39 1nnv h LEU 22 CO -0.03 0.65 -2.17 -1.84 -0.34 0.00 0.00 178.44 174.70 1nnv n GLU 23 N -4.60 1.08 0.00 1.25 0.28 0.23 -4.60 120.64 114.28 1nnv n GLU 23 Ca -0.02 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.16 56.83 1nnv n GLU 23 Cb 0.21 -1.45 -0.10 0.00 1.43 0.00 0.00 31.44 31.53 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 0.00 -0.08 -5.73 3.44 2.86 0.19 -3.43 114.93 112.18 1nnv h MET 24 Ca -0.43 0.01 -0.58 0.00 -2.06 0.00 0.00 59.70 56.64 1nnv h MET 24 Cb 1.96 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.62 1nnv h MET 24 CO 0.02 0.47 1.54 0.00 1.06 0.00 0.00 176.91 180.01 1nnv n ALA 25 N -2.46 0.97 -1.00 6.32 0.00 -0.84 -4.36 120.51 119.14 1nnv n ALA 25 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1nnv n ALA 25 Cb 0.29 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.00 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 6.30 -1.94 0.83 0.00 0.00 -1.26 -4.92 105.19 104.20 1nnv n GLY 26 Ca 0.42 0.65 0.12 0.00 0.00 0.00 0.00 46.02 47.21 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 -0.59 2.13 -0.03 1.61 -0.58 -1.26 -4.12 120.64 117.80 1nnv n GLU 27 Ca 0.00 -1.66 -0.06 0.00 -0.42 0.00 0.00 57.16 55.02 1nnv n GLU 27 Cb 0.00 -1.47 -0.13 0.00 -0.57 0.00 0.00 31.44 29.27 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 0.98 0.61 -4.84 1.62 4.13 -1.26 -4.90 115.26 111.59 1nnv n ASN 28 Ca 0.16 0.28 -0.37 0.00 1.68 0.00 0.00 54.58 56.33 1nnv n ASN 28 Cb 0.51 0.35 -0.06 0.00 -1.54 0.00 0.00 39.78 39.04 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 -5.79 4.42 0.59 3.41 0.20 -1.26 -4.81 118.68 115.44 1nnv s LEU 29 Ca -0.06 0.72 -0.18 0.00 0.69 0.00 0.00 54.13 55.30 1nnv s LEU 29 Cb 0.08 -2.36 -0.08 0.00 -0.43 0.00 0.00 46.19 43.40 1nnv s LEU 29 CO 0.83 0.33 0.61 -0.67 -0.29 0.00 0.00 176.35 177.16 1nnv n ASP 30 N 2.07 -0.70 -0.75 3.68 2.03 -1.26 -4.79 116.55 116.82 1nnv n ASP 30 Ca -0.16 0.74 0.00 0.00 0.52 0.00 0.00 54.79 55.89 1nnv n ASP 30 Cb 0.53 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1nnv n ASP 30 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1nnv n PRO 31 N -0.30 0.51 0.01 -0.67 -0.02 -1.26 -2.94 135.00 130.33 1nnv n PRO 31 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1nnv n PRO 31 Cb 0.48 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1nnv n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nnv n ALA 32 N 0.50 3.00 0.31 3.55 0.00 -1.26 -4.62 120.51 121.98 1nnv n ALA 32 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1nnv n ALA 32 Cb 0.19 0.07 1.02 0.00 0.00 0.00 0.00 19.45 20.73 1nnv n ALA 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nnv h ASP 33 N 0.00 0.00 -0.66 0.00 5.19 -1.94 0.18 116.42 119.19 1nnv h ASP 33 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1nnv h ASP 33 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1nnv h ASP 33 CO 0.00 0.00 0.26 0.40 -3.12 0.00 0.00 179.24 176.78 1nnv h ILE 34 N 0.00 1.24 -0.25 0.35 2.04 -1.81 -0.96 117.51 118.12 1nnv h ILE 34 Ca 0.02 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1nnv h ILE 34 Cb 0.27 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1nnv h ILE 34 CO -0.00 0.30 0.13 0.25 0.00 0.00 0.00 178.15 178.83 1nnv h LEU 35 N 0.93 0.31 -0.96 1.44 5.85 -0.90 -2.30 115.31 119.68 1nnv h LEU 35 Ca 0.22 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1nnv h LEU 35 Cb 0.22 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 1nnv h LEU 35 CO -0.02 0.32 0.60 -0.07 -0.34 0.00 0.00 178.44 178.93 1nnv h LEU 36 N 0.28 0.89 -1.71 2.25 -0.00 -1.26 0.16 115.31 115.92 1nnv h LEU 36 Ca 0.09 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 58.06 1nnv h LEU 36 Cb 0.08 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 1nnv h LEU 36 CO -0.01 0.50 0.28 0.15 -0.00 0.00 0.00 178.44 179.35 1nnv h PHE 37 N 0.98 0.36 0.01 1.13 3.57 -0.63 0.57 116.94 122.92 1nnv h PHE 37 Ca 0.46 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.97 1nnv h PHE 37 Cb 0.40 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1nnv h PHE 37 CO -0.02 0.20 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.35 1nnv h ASN 38 N 0.37 -0.01 -0.50 0.41 -0.26 -0.37 -3.34 115.58 111.88 1nnv h ASN 38 Ca 0.18 -0.76 -0.11 0.00 -0.56 0.00 0.00 56.30 55.05 1nnv h ASN 38 Cb 0.24 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 1nnv h ASN 38 CO -0.04 0.78 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.95 1nnv h LEU 39 N -0.82 0.97 0.00 1.61 -0.00 -0.88 -3.46 115.31 112.73 1nnv h LEU 39 Ca -0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1nnv h LEU 39 Cb 0.77 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1nnv h LEU 39 CO 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 178.44 179.51 1nnv n GLN 40 N -4.15 3.81 0.00 1.13 1.13 0.20 -4.79 117.38 114.70 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 0.38 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.73 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 0.01 1.08 -0.00 -1.26 -4.62 117.46 112.67 1nnv n PHE 41 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1nnv n PHE 41 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.34 1nnv n PHE 41 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1nnv h GLU 42 N 0.47 0.10 0.00 -4.13 4.57 -1.87 -2.71 114.58 111.02 1nnv h GLU 42 Ca 0.00 -0.18 -0.21 0.00 -1.18 0.00 0.00 59.36 57.79 1nnv h GLU 42 Cb 0.00 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1nnv h GLU 42 CO 0.00 0.81 -1.93 -1.91 -1.18 0.00 0.00 179.01 174.80 1nnv n GLU 43 N -3.24 1.43 -2.07 1.92 2.13 -1.26 -4.58 120.64 114.97 1nnv n GLU 43 Ca -0.18 -0.03 -0.19 0.00 0.66 0.00 0.00 57.16 57.41 1nnv n GLU 43 Cb 1.04 -1.37 0.03 0.00 0.27 0.00 0.00 31.44 31.41 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 -2.44 3.27 -3.51 5.31 3.00 -1.26 -4.84 116.66 116.19 1nnv n ARG 44 Ca -0.19 -4.04 -0.37 0.00 -0.01 0.00 0.00 57.85 53.24 1nnv n ARG 44 Cb 0.86 -2.15 -0.07 0.00 0.00 0.00 0.00 32.46 31.10 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 -3.60 2.18 -0.16 -0.13 0.00 -1.02 -2.35 107.32 102.24 1nnv s GLY 45 Ca 0.47 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.64 1nnv s GLY 45 CO 0.02 0.51 0.37 -0.32 0.00 0.00 0.00 173.10 173.68 1nnv s GLY 46 N 0.61 -0.28 -0.20 0.20 0.00 -1.26 -4.83 107.32 101.55 1nnv s GLY 46 Ca 0.17 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.28 1nnv s GLY 46 CO 0.05 1.73 -0.06 0.14 0.00 0.00 0.00 173.10 174.96 1nnv s VAL 47 N 1.62 1.35 0.54 1.40 1.01 -1.26 -2.46 120.40 122.60 1nnv s VAL 47 Ca -0.08 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.02 1nnv s VAL 47 Cb -0.10 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.78 1nnv s VAL 47 CO -0.12 0.03 0.74 -1.83 0.00 0.00 0.00 175.10 173.93 1nnv s GLU 48 N 1.50 2.43 -0.12 2.72 -1.05 -0.90 -4.94 118.70 118.34 1nnv s GLU 48 Ca -0.02 -1.25 0.01 0.00 -0.15 0.00 0.00 54.97 53.55 1nnv s GLU 48 Cb -0.17 -2.60 0.02 0.00 -0.44 0.00 0.00 34.13 30.94 1nnv s GLU 48 CO -0.07 -0.72 -0.12 0.12 0.95 0.00 0.00 175.26 175.41 1nnv s PHE 49 N -2.65 1.82 0.00 4.83 2.19 -1.26 -2.03 117.98 120.88 1nnv s PHE 49 Ca 0.59 -0.92 0.00 0.00 0.33 0.00 0.00 56.93 56.93 1nnv s PHE 49 Cb -0.08 -1.38 0.00 0.00 -1.31 0.00 0.00 43.02 40.25 1nnv s PHE 49 CO 0.38 -0.53 0.00 1.33 1.83 0.00 0.00 175.22 178.22 1nnv n VAL 50 N 4.60 0.00 -4.56 3.12 0.24 0.20 -5.00 118.33 116.93 1nnv n VAL 50 Ca -0.17 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.88 1nnv n VAL 50 Cb 0.50 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.77 1nnv n VAL 50 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nnv s GLU 51 N -0.70 1.86 0.97 7.34 2.02 -1.26 -2.67 118.70 126.25 1nnv s GLU 51 Ca 0.00 -2.07 -0.10 0.00 0.02 0.00 0.00 54.97 52.82 1nnv s GLU 51 Cb 0.00 -1.24 0.18 0.00 0.10 0.00 0.00 34.13 33.17 1nnv s GLU 51 CO 0.00 -0.17 1.13 0.99 0.02 0.00 0.00 175.26 177.23 1nnv s THR 52 N -3.00 2.01 0.03 3.63 2.01 -1.23 -4.57 115.64 114.53 1nnv s THR 52 Ca 0.32 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1nnv s THR 52 Cb 0.08 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1nnv s THR 52 CO 0.15 -0.01 0.02 0.00 -0.69 0.00 0.00 174.62 174.09 1nnv n ALA 53 N -4.40 0.04 -1.24 7.40 0.00 -1.26 -4.88 120.51 116.18 1nnv n ALA 53 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1nnv n ALA 53 Cb 0.52 0.06 0.23 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.64 3.27 -2.72 0.00 9.92 -1.26 -4.67 116.55 119.45 1nnv n ASP 54 Ca -0.01 -3.45 -0.07 0.00 -0.53 0.00 0.00 54.79 50.73 1nnv n ASP 54 Cb 0.04 -0.63 0.08 0.00 -0.64 0.00 0.00 41.12 39.96 1nnv n ASP 54 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nnv n ASP 55 N -0.84 -2.19 -0.06 -2.24 8.00 -1.26 -4.99 116.55 112.97 1nnv n ASP 55 Ca 0.32 -2.92 -0.07 0.00 0.71 0.00 0.00 54.79 52.83 1nnv n ASP 55 Cb 1.07 1.55 -0.15 0.00 -0.02 0.00 0.00 41.12 43.58 1nnv n ASP 55 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nnv n TRP 56 N 1.08 0.41 -0.83 1.24 7.02 -1.26 -4.62 117.44 120.48 1nnv n TRP 56 Ca 0.05 0.15 -0.30 0.00 -1.02 0.00 0.00 57.50 56.37 1nnv n TRP 56 Cb 0.68 -1.04 -0.04 0.00 -2.42 0.00 0.00 31.31 28.50 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 -2.83 1.53 0.03 -0.99 1.02 -1.26 -3.09 120.64 115.06 1nnv n GLU 57 Ca -0.24 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 1nnv n GLU 57 Cb 1.06 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 58 N 5.68 0.00 0.00 3.49 -0.58 -1.26 -4.87 120.64 123.10 1nnv n GLU 58 Ca 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 57.16 1nnv n GLU 58 Cb 0.25 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.12 1nnv n GLU 58 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1nnv h GLU 59 N 0.00 -0.04 -0.02 3.49 9.09 -1.86 -3.39 114.58 121.84 1nnv h GLU 59 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 1nnv h GLU 59 Cb 0.00 0.01 0.02 0.00 -1.65 0.00 0.00 28.75 27.13 1nnv h GLU 59 CO 0.00 -0.03 -0.98 -0.84 0.05 0.00 0.00 179.01 177.21 1nnv h ILE 60 N -0.40 1.30 -2.51 -1.06 3.07 -1.96 -3.49 117.51 112.47 1nnv h ILE 60 Ca -0.00 -2.24 0.00 0.00 1.55 0.00 0.00 64.86 64.16 1nnv h ILE 60 Cb 0.03 2.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 1nnv h ILE 60 CO 0.01 0.69 0.00 0.61 -1.05 0.00 0.00 178.15 178.41 1nnv n GLY 61 N 0.99 -0.81 0.00 0.16 0.00 -1.26 -5.12 105.19 99.15 1nnv n GLY 61 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.34 0.00 -1.69 1.61 0.24 -1.26 -5.01 118.33 111.87 1nnv n VAL 62 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 1nnv n VAL 62 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1nnv n VAL 62 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1nnv n LEU 63 N 0.00 3.88 -3.85 1.34 -0.00 -1.26 -4.29 117.00 112.82 1nnv n LEU 63 Ca 0.00 1.01 -0.30 0.00 -0.00 0.00 0.00 56.01 56.72 1nnv n LEU 63 Cb 0.00 -1.53 -0.14 0.00 -0.00 0.00 0.00 43.42 41.75 1nnv n LEU 63 CO 0.00 0.10 -0.27 -0.63 -0.00 0.00 0.00 177.39 176.59 1nnv s ILE 64 N 2.25 1.76 -0.17 1.96 -1.09 -1.26 -5.07 121.20 119.58 1nnv s ILE 64 Ca 0.81 -2.39 -0.29 0.00 -2.23 0.00 0.00 60.65 56.54 1nnv s ILE 64 Cb -0.53 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 1nnv s ILE 64 CO 0.37 -0.75 1.53 -1.81 -1.23 0.00 0.00 174.94 173.05 1nnv s ASP 65 N 0.66 6.60 0.69 3.58 1.01 -1.26 -4.93 116.67 123.03 1nnv s ASP 65 Ca 0.14 1.79 -0.16 0.00 0.71 0.00 0.00 52.55 55.02 1nnv s ASP 65 Cb -0.22 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.20 1nnv s ASP 65 CO -0.08 -1.04 1.24 -2.16 0.21 0.00 0.00 175.17 173.34 1nnv s PRO 66 N 4.20 2.31 0.00 8.23 0.04 -1.26 -2.25 135.00 146.28 1nnv s PRO 66 Ca 0.67 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1nnv s PRO 66 Cb -0.26 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1nnv s PRO 66 CO 0.26 -1.73 0.00 0.39 0.04 0.00 0.00 177.00 175.95 1nnv n GLU 67 N -2.37 0.00 0.00 4.56 1.02 -1.26 -4.69 120.64 117.90 1nnv n GLU 67 Ca 0.14 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1nnv n GLU 67 Cb 0.49 -3.49 -0.02 0.00 -0.02 0.00 0.00 31.44 28.40 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 -2.00 4.97 -4.30 3.49 1.02 -0.95 -4.99 120.64 117.87 1nnv n GLU 68 Ca 0.00 -0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.87 1nnv n GLU 68 Cb 0.00 -0.76 -0.16 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.94 -0.16 -0.32 2.02 -1.21 -2.05 117.35 115.17 1nnv s TYR 69 Ca 0.02 -0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.23 1nnv s TYR 69 Cb 0.04 -0.75 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 1nnv s TYR 69 CO 0.19 -0.19 0.60 0.00 -1.57 0.00 0.00 175.55 174.58 1nnv s ALA 70 N 0.72 3.50 -0.33 3.71 0.00 -0.69 -3.50 121.76 125.16 1nnv s ALA 70 Ca -0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 1nnv s ALA 70 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1nnv s ALA 70 CO 0.01 -0.36 0.18 -2.00 0.00 0.00 0.00 175.76 173.59 1nnv s GLU 71 N 1.44 3.20 -0.00 0.00 2.12 -1.09 -2.30 118.70 122.07 1nnv s GLU 71 Ca 0.29 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.82 1nnv s GLU 71 Cb -0.16 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 1nnv s GLU 71 CO 0.11 -0.51 -0.04 0.08 -0.54 0.00 0.00 175.26 174.37 1nnv s VAL 72 N 1.61 3.90 -0.05 3.70 1.01 0.13 0.62 120.40 131.31 1nnv s VAL 72 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1nnv s VAL 72 Cb -0.18 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1nnv s VAL 72 CO 0.07 0.40 -0.22 0.26 0.00 0.00 0.00 175.10 175.61 1nnv s TRP 73 N -1.02 2.48 -0.28 5.22 0.52 -0.86 0.66 118.94 125.65 1nnv s TRP 73 Ca 0.18 -0.50 0.02 0.00 0.02 0.00 0.00 56.10 55.82 1nnv s TRP 73 Cb -0.11 -1.59 0.07 0.00 -1.15 0.00 0.00 33.47 30.70 1nnv s TRP 73 CO 0.08 -0.07 -0.03 0.08 0.02 0.00 0.00 176.95 177.03 1nnv s VAL 74 N -0.41 1.87 0.00 4.03 1.01 -0.59 -2.11 120.40 124.21 1nnv s VAL 74 Ca 0.04 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1nnv s VAL 74 Cb -0.12 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1nnv s VAL 74 CO 0.02 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1nnv n GLY 75 N 4.50 4.89 2.68 4.51 0.00 -1.03 0.70 105.19 121.44 1nnv n GLY 75 Ca -0.07 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 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 0.60 -4.77 0.99 7.94 0.31 -4.20 117.00 117.88 1nnv n LEU 76 Ca 0.00 -3.61 -0.31 0.00 -1.11 0.00 0.00 56.01 50.98 1nnv n LEU 76 Cb 0.00 0.33 0.10 0.00 0.53 0.00 0.00 43.42 44.38 1nnv n LEU 76 CO 0.00 1.62 0.69 0.54 -1.11 0.00 0.00 177.39 179.13 1nnv s VAL 77 N -2.31 3.23 0.00 1.96 0.11 -0.99 -4.77 120.40 117.63 1nnv s VAL 77 Ca 0.26 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1nnv s VAL 77 Cb 0.44 -2.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 1nnv s VAL 77 CO 0.00 -0.52 0.00 -0.46 -3.33 0.00 0.00 175.10 170.79 1nnv n ASN 78 N -3.55 0.00 -0.04 3.54 0.23 -1.26 -3.56 115.26 110.62 1nnv n ASN 78 Ca 0.08 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.99 1nnv n ASN 78 Cb 0.54 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.13 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 0.03 0.00 -3.83 4.11 -1.97 -3.23 114.58 109.70 1nnv h GLU 79 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1nnv h GLU 79 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1nnv h GLU 79 CO 0.00 0.78 0.37 -0.56 0.07 0.00 0.00 179.01 179.66 1nnv h GLN 80 N -0.70 0.00 -6.36 1.06 3.07 -2.02 -3.45 115.11 106.71 1nnv h GLN 80 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.26 1nnv h GLN 80 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.33 1nnv h GLN 80 CO 0.01 0.00 -0.86 -0.40 0.09 0.00 0.00 178.83 177.67 1nnv n ASP 81 N -2.67 -0.85 -1.70 0.06 5.75 -1.22 -4.86 116.55 111.06 1nnv n ASP 81 Ca -0.02 -0.93 -0.04 0.00 -0.01 0.00 0.00 54.79 53.79 1nnv n ASP 81 Cb 0.41 -3.42 0.24 0.00 -1.03 0.00 0.00 41.12 37.32 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nnv n GLU 82 N -4.37 3.20 -1.63 0.11 1.02 -1.26 -5.00 120.64 112.72 1nnv n GLU 82 Ca -0.28 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 1nnv n GLU 82 Cb 0.67 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1nnv n GLU 82 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1nnv n MET 83 N 0.01 -0.41 -2.67 3.49 1.56 -1.26 -4.94 117.12 112.91 1nnv n MET 83 Ca 0.30 0.50 -0.09 0.00 -0.27 0.00 0.00 57.70 58.15 1nnv n MET 83 Cb 1.13 -0.43 0.05 0.00 2.15 0.00 0.00 33.22 36.12 1nnv n MET 83 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1nnv n ASP 84 N 1.59 0.75 0.00 6.12 -0.08 -1.26 -4.98 116.55 118.69 1nnv n ASP 84 Ca 0.00 -2.65 0.00 0.00 -1.51 0.00 0.00 54.79 50.63 1nnv n ASP 84 Cb 0.11 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1nnv n ASP 84 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1nnv n ASP 85 N -0.18 0.00 -4.77 1.67 8.00 -1.26 -4.94 116.55 115.08 1nnv n ASP 85 Ca 0.06 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.18 1nnv n ASP 85 Cb 0.83 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.87 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 4.90 -0.18 2.53 0.11 -1.26 -0.53 120.40 125.97 1nnv s VAL 86 Ca 0.00 1.24 -0.19 0.00 -2.93 0.00 0.00 61.98 60.10 1nnv s VAL 86 Cb 0.00 -3.93 -0.21 0.00 -1.53 0.00 0.00 36.38 30.71 1nnv s VAL 86 CO 0.00 0.43 0.30 -0.26 -3.33 0.00 0.00 175.10 172.23 1nnv h PHE 87 N 5.56 0.12 -4.07 1.54 -1.00 0.00 -3.47 116.94 115.62 1nnv h PHE 87 Ca -0.45 -0.08 -0.14 0.00 2.81 0.00 0.00 57.97 60.10 1nnv h PHE 87 Cb 1.20 -0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.64 1nnv h PHE 87 CO 0.66 1.52 -0.34 0.00 -1.61 0.00 0.00 178.31 178.53 1nnv s ALA 88 N -2.40 0.39 0.04 2.45 0.00 -0.96 -2.43 121.76 118.85 1nnv s ALA 88 Ca -0.27 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.48 1nnv s ALA 88 Cb 0.05 1.21 -0.02 0.00 0.00 0.00 0.00 23.12 24.36 1nnv s ALA 88 CO 0.64 -0.73 -0.09 0.15 0.00 0.00 0.00 175.76 175.73 1nnv s LYS 89 N -4.08 0.60 0.03 0.00 1.02 -1.00 -1.54 119.74 114.77 1nnv s LYS 89 Ca 0.30 -0.67 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1nnv s LYS 89 Cb 0.03 -0.47 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1nnv s LYS 89 CO 0.10 0.10 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.39 1nnv s PHE 90 N -1.05 1.63 -0.06 3.18 0.40 0.21 -2.10 117.98 120.19 1nnv s PHE 90 Ca -0.05 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1nnv s PHE 90 Cb -0.08 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.49 1nnv s PHE 90 CO 0.01 0.06 -0.06 -0.51 0.70 0.00 0.00 175.22 175.42 1nnv s LEU 91 N -1.03 1.27 0.04 -0.37 1.43 -0.13 0.17 118.68 120.05 1nnv s LEU 91 Ca 0.06 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1nnv s LEU 91 Cb -0.08 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1nnv s LEU 91 CO 0.01 -0.06 -0.08 0.27 0.23 0.00 0.00 176.35 176.72 1nnv s ILE 92 N 1.09 0.56 0.12 -0.59 -4.36 -0.97 -1.02 121.20 116.03 1nnv s ILE 92 Ca -0.08 -0.94 -0.31 0.00 -0.26 0.00 0.00 60.65 59.06 1nnv s ILE 92 Cb -0.14 -0.60 -0.08 0.00 1.25 0.00 0.00 42.46 42.89 1nnv s ILE 92 CO -0.01 -0.28 1.44 -0.94 0.24 0.00 0.00 174.94 175.39 1nnv s SER 93 N -1.33 6.76 0.13 4.36 1.04 -0.99 -1.71 113.70 121.97 1nnv s SER 93 Ca -0.07 2.39 -0.05 0.00 0.48 0.00 0.00 55.95 58.70 1nnv s SER 93 Cb -0.09 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.37 1nnv s SER 93 CO 0.00 -0.70 1.33 0.45 0.98 0.00 0.00 173.24 175.30 1nnv h HIS 94 N 6.88 0.66 -2.13 5.02 -0.00 -1.75 -3.46 115.15 120.36 1nnv h HIS 94 Ca -0.42 -0.34 -0.22 0.00 -0.00 0.00 0.00 60.37 59.39 1nnv h HIS 94 Cb 1.21 -0.08 0.13 0.00 -0.00 0.00 0.00 27.41 28.67 1nnv h HIS 94 CO 0.66 1.14 -0.11 2.89 -0.00 0.00 0.00 177.93 182.52 1nnv n ARG 95 N -3.79 -2.68 -0.11 2.45 1.85 -1.26 -4.38 116.66 108.73 1nnv n ARG 95 Ca -0.06 -0.89 -0.24 0.00 -1.00 0.00 0.00 57.85 55.66 1nnv n ARG 95 Cb 0.80 -1.39 -0.08 0.00 -1.05 0.00 0.00 32.46 30.74 1nnv n ARG 95 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1nnv n GLU 96 N -3.10 0.47 -2.40 2.89 0.28 -1.26 -4.94 120.64 112.57 1nnv n GLU 96 Ca 0.08 0.20 -0.41 0.00 -0.16 0.00 0.00 57.16 56.87 1nnv n GLU 96 Cb 0.37 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 31.92 1nnv n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1nnv s GLU 97 N -2.40 4.48 0.08 3.44 2.02 -1.26 -4.54 118.70 120.51 1nnv s GLU 97 Ca -0.31 1.82 0.00 0.00 0.02 0.00 0.00 54.97 56.50 1nnv s GLU 97 Cb 0.12 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1nnv s GLU 97 CO 0.39 -0.14 0.00 -0.25 0.02 0.00 0.00 175.26 175.28 1nnv n ASP 98 N 3.08 -8.84 -4.01 -0.19 8.00 -1.26 -4.98 116.55 108.34 1nnv n ASP 98 Ca 0.06 1.70 -0.31 0.00 0.71 0.00 0.00 54.79 56.95 1nnv n ASP 98 Cb 0.45 -4.99 -0.15 0.00 -0.02 0.00 0.00 41.12 36.41 1nnv n ASP 98 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1nnv s ARG 99 N -0.54 1.98 -0.15 -1.24 3.00 -1.26 -4.88 118.95 115.86 1nnv s ARG 99 Ca 0.00 -1.08 -0.04 0.00 -1.00 0.00 0.00 55.73 53.60 1nnv s ARG 99 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 34.95 32.26 1nnv s ARG 99 CO 0.00 -0.54 0.00 -1.83 0.00 0.00 0.00 175.30 172.94 1nnv s GLU 100 N 1.29 3.62 -0.01 5.12 -1.05 -1.26 -4.94 118.70 121.46 1nnv s GLU 100 Ca -0.06 -0.44 0.07 0.00 -0.15 0.00 0.00 54.97 54.39 1nnv s GLU 100 Cb -0.18 -2.98 -0.02 0.00 -0.44 0.00 0.00 34.13 30.51 1nnv s GLU 100 CO -0.06 0.36 -0.22 -0.59 0.95 0.00 0.00 175.26 175.70 1nnv s PHE 101 N 0.08 1.94 0.04 4.83 -0.71 -1.26 -2.33 117.98 120.57 1nnv s PHE 101 Ca 0.02 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 1nnv s PHE 101 Cb -0.13 -1.25 -0.03 0.00 -1.21 0.00 0.00 43.02 40.40 1nnv s PHE 101 CO 0.02 -0.03 -0.04 -3.38 -1.34 0.00 0.00 175.22 170.45 1nnv s HIS 102 N -0.52 0.47 -0.12 3.49 -3.43 -0.19 -4.98 115.29 110.01 1nnv s HIS 102 Ca 0.08 -0.70 -0.13 0.00 -0.80 0.00 0.00 55.06 53.51 1nnv s HIS 102 Cb -0.08 -0.31 0.03 0.00 -1.43 0.00 0.00 32.58 30.79 1nnv s HIS 102 CO -0.01 -0.21 0.37 0.54 -2.00 0.00 0.00 174.74 173.43 1nnv s VAL 103 N -2.28 0.01 -0.10 -5.38 0.11 -1.26 -0.96 120.40 110.54 1nnv s VAL 103 Ca -0.06 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1nnv s VAL 103 Cb -0.04 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1nnv s VAL 103 CO -0.03 -0.03 -0.08 0.27 -3.33 0.00 0.00 175.10 171.90 1nnv s ILE 104 N 0.00 3.57 0.07 7.04 -0.00 -0.89 -4.93 121.20 126.06 1nnv s ILE 104 Ca -0.02 -0.51 0.05 0.00 -0.00 0.00 0.00 60.65 60.17 1nnv s ILE 104 Cb -0.03 -2.49 -0.04 0.00 -0.00 0.00 0.00 42.46 39.90 1nnv s ILE 104 CO 0.01 0.56 -0.02 0.26 -0.00 0.00 0.00 174.94 175.75 1nnv s TRP 105 N -0.31 2.95 0.72 1.37 0.52 -1.26 -2.38 118.94 120.54 1nnv s TRP 105 Ca 0.04 -0.03 -0.15 0.00 0.02 0.00 0.00 56.10 55.97 1nnv s TRP 105 Cb -0.13 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.68 1nnv s TRP 105 CO 0.02 0.46 1.20 0.21 0.02 0.00 0.00 176.95 178.86 1nnv s LYS 106 N -2.09 2.24 0.00 4.98 2.20 -1.02 -5.02 119.74 121.04 1nnv s LYS 106 Ca 0.23 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1nnv s LYS 106 Cb -0.11 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1nnv s LYS 106 CO 0.15 -1.75 0.00 0.36 -0.36 0.00 0.00 175.35 173.75