#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pux n MET 2 N 0.00 3.83 -3.64 0.03 0.00 -1.26 -5.17 117.12 110.91 1pux n MET 2 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.70 57.55 1pux n MET 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1pux n MET 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1pux s ASN 3 N 0.33 -0.40 0.17 6.12 2.20 -1.26 -5.07 114.94 117.03 1pux s ASN 3 Ca 0.00 0.31 0.02 0.00 -0.94 0.00 0.00 52.86 52.25 1pux s ASN 3 Cb 0.00 0.43 -0.05 0.00 -2.00 0.00 0.00 41.25 39.63 1pux s ASN 3 CO 0.00 -0.57 -0.00 -0.70 -2.94 0.00 0.00 177.10 172.89 1pux s GLU 4 N -1.55 1.10 -0.12 3.55 2.12 -1.26 -5.08 118.70 117.45 1pux s GLU 4 Ca -0.11 -1.53 -0.10 0.00 0.36 0.00 0.00 54.97 53.60 1pux s GLU 4 Cb -0.02 -0.27 0.04 0.00 0.26 0.00 0.00 34.13 34.13 1pux s GLU 4 CO 0.05 -0.12 0.32 0.15 -0.54 0.00 0.00 175.26 175.12 1pux s LYS 5 N -3.91 0.35 0.06 4.30 -0.14 -1.26 -3.34 119.74 115.80 1pux s LYS 5 Ca 0.23 0.50 -0.17 0.00 -1.36 0.00 0.00 55.97 55.18 1pux s LYS 5 Cb 0.06 0.11 0.03 0.00 -1.68 0.00 0.00 37.83 36.35 1pux s LYS 5 CO 0.04 -0.08 0.38 0.42 -0.76 0.00 0.00 175.35 175.35 1pux s ILE 6 N 0.48 0.07 0.03 2.17 1.01 -1.14 0.88 121.20 124.71 1pux s ILE 6 Ca -0.03 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1pux s ILE 6 Cb -0.04 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1pux s ILE 6 CO -0.03 -0.30 -0.11 -0.22 0.00 0.00 0.00 174.94 174.28 1pux s LEU 7 N -2.22 2.16 -0.29 2.97 2.96 -0.12 -3.24 118.68 120.90 1pux s LEU 7 Ca -0.03 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1pux s LEU 7 Cb -0.00 -0.46 0.08 0.00 0.50 0.00 0.00 46.19 46.31 1pux s LEU 7 CO -0.05 -0.01 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.32 1pux s ILE 8 N -0.84 2.00 -0.18 6.68 1.01 0.85 -1.01 121.20 129.71 1pux s ILE 8 Ca -0.01 -1.83 -0.13 0.00 0.00 0.00 0.00 60.65 58.69 1pux s ILE 8 Cb -0.07 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1pux s ILE 8 CO 0.01 -0.32 0.24 -0.69 0.00 0.00 0.00 174.94 174.19 1pux s VAL 9 N 1.11 5.33 0.02 2.92 1.01 0.44 -2.39 120.40 128.84 1pux s VAL 9 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1pux s VAL 9 Cb -0.19 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1pux s VAL 9 CO -0.08 0.39 0.00 0.47 0.00 0.00 0.00 175.10 175.88 1pux n ASP 10 N 3.68 -1.63 -0.10 3.32 8.00 -0.79 -3.23 116.55 125.80 1pux n ASP 10 Ca -0.13 0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.43 1pux n ASP 10 Cb 0.52 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1pux n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1pux n ASP 11 N -3.88 -5.48 -4.54 -2.24 2.03 -1.26 -4.70 116.55 96.49 1pux n ASP 11 Ca 0.00 0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 1pux n ASP 11 Cb 0.03 -3.10 -0.04 0.00 -0.72 0.00 0.00 41.12 37.29 1pux n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pux s GLN 12 N -1.81 3.39 0.00 -0.67 -2.07 -1.26 -4.49 119.66 112.76 1pux s GLN 12 Ca 0.00 -0.12 0.11 0.00 -1.82 0.00 0.00 55.36 53.53 1pux s GLN 12 Cb 0.00 -4.02 0.18 0.00 -1.09 0.00 0.00 33.01 28.08 1pux s GLN 12 CO 0.00 -1.45 1.02 0.98 -1.32 0.00 0.00 175.29 174.52 1pux n TYR 13 N 7.49 0.00 0.00 9.60 4.19 -1.26 -4.94 117.16 132.24 1pux n TYR 13 Ca 0.03 -0.39 0.00 0.00 3.31 0.00 0.00 57.90 60.85 1pux n TYR 13 Cb 0.48 0.15 0.00 0.00 0.49 0.00 0.00 39.34 40.46 1pux n TYR 13 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1pux n GLY 14 N 0.21 0.52 0.12 2.98 0.00 -1.26 -4.93 105.19 102.83 1pux n GLY 14 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1pux n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pux h ILE 15 N 0.00 0.74 -0.96 -0.61 5.03 -1.92 -3.31 117.51 116.47 1pux h ILE 15 Ca 0.00 -2.49 0.15 0.00 -0.12 0.00 0.00 64.86 62.40 1pux h ILE 15 Cb 0.00 2.50 -0.08 0.00 -3.03 0.00 0.00 36.82 36.21 1pux h ILE 15 CO 0.00 0.76 0.61 0.08 -0.68 0.00 0.00 178.15 178.92 1pux h ARG 16 N 0.05 0.78 -0.07 2.37 0.11 -1.92 -0.64 114.38 115.06 1pux h ARG 16 Ca -0.37 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.66 1pux h ARG 16 Cb 2.03 -0.18 -0.00 0.00 1.11 0.00 0.00 29.97 32.93 1pux h ARG 16 CO 0.09 0.51 0.01 0.82 0.10 0.00 0.00 179.97 181.50 1pux h ILE 17 N 0.80 1.23 -0.76 0.08 2.04 -1.97 0.28 117.51 119.22 1pux h ILE 17 Ca 0.50 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.73 1pux h ILE 17 Cb 0.71 1.58 -0.12 0.00 -0.74 0.00 0.00 36.82 38.25 1pux h ILE 17 CO -0.26 0.20 -0.48 0.25 0.00 0.00 0.00 178.15 177.86 1pux h LEU 18 N -0.15 -1.70 -1.18 1.44 6.46 -1.22 1.71 115.31 120.68 1pux h LEU 18 Ca 0.02 0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1pux h LEU 18 Cb 0.31 0.78 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1pux h LEU 18 CO 0.00 -0.31 -0.15 0.17 -0.62 0.00 0.00 178.44 177.54 1pux h LEU 19 N -0.14 0.00 0.54 2.25 8.10 -1.38 -3.10 115.31 121.59 1pux h LEU 19 Ca 0.20 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.16 1pux h LEU 19 Cb 0.53 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1pux h LEU 19 CO -0.81 0.15 -0.26 -1.13 -4.11 0.00 0.00 178.44 172.28 1pux h ASN 20 N 0.00 -0.62 -1.24 0.17 -1.24 0.59 -2.14 115.58 111.10 1pux h ASN 20 Ca -0.00 0.02 0.36 0.00 0.71 0.00 0.00 56.30 57.39 1pux h ASN 20 Cb 0.69 0.16 -0.07 0.00 0.73 0.00 0.00 38.32 39.83 1pux h ASN 20 CO 0.02 -0.34 0.87 -0.08 -1.29 0.00 0.00 177.43 176.60 1pux h GLU 21 N -0.92 0.09 0.26 6.67 4.81 0.73 3.15 114.58 129.37 1pux h GLU 21 Ca -0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1pux h GLU 21 Cb 0.56 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1pux h GLU 21 CO 0.12 0.06 -0.13 0.28 -0.73 0.00 0.00 179.01 178.62 1pux h VAL 22 N 0.09 0.79 0.00 0.32 2.07 -1.43 -2.09 116.25 116.00 1pux h VAL 22 Ca 0.63 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1pux h VAL 22 Cb 2.27 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1pux h VAL 22 CO -0.11 0.08 -0.20 -0.26 0.02 0.00 0.00 177.57 177.11 1pux h PHE 23 N -0.56 0.00 0.00 1.57 0.04 0.39 -3.17 116.94 115.21 1pux h PHE 23 Ca -0.04 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 1pux h PHE 23 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1pux h PHE 23 CO -0.00 0.00 -0.35 -0.97 -0.60 0.00 0.00 178.31 176.39 1pux h ASN 24 N 0.00 0.00 0.00 2.17 -1.24 0.57 -2.53 115.58 114.55 1pux h ASN 24 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1pux h ASN 24 Cb 0.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1pux h ASN 24 CO 0.00 0.35 0.38 0.11 -1.29 0.00 0.00 177.43 176.98 1pux h LYS 25 N 0.00 0.00 0.00 6.67 1.57 -1.35 1.74 116.57 125.20 1pux h LYS 25 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1pux h LYS 25 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1pux h LYS 25 CO 0.05 0.00 -1.33 0.39 -0.57 0.00 0.00 179.45 177.99 1pux n GLU 26 N -2.80 0.62 -0.51 3.15 -0.58 -0.95 -4.96 120.64 114.61 1pux n GLU 26 Ca -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1pux n GLU 26 Cb 0.43 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1pux n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pux n GLY 27 N 1.28 0.71 3.76 0.62 0.00 0.59 -4.91 105.19 107.25 1pux n GLY 27 Ca -0.05 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1pux n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pux s TYR 28 N -2.00 2.57 0.02 1.61 1.13 -1.26 -4.94 117.35 114.49 1pux s TYR 28 Ca 0.00 1.49 -0.27 0.00 -1.41 0.00 0.00 57.07 56.88 1pux s TYR 28 Cb 0.00 -3.50 -0.04 0.00 -1.10 0.00 0.00 41.96 37.32 1pux s TYR 28 CO 0.00 -2.05 0.85 -0.65 -2.51 0.00 0.00 175.55 171.19 1pux s GLN 29 N -3.01 4.54 0.18 -3.49 -0.21 -1.21 -4.81 119.66 111.65 1pux s GLN 29 Ca 0.71 1.19 0.09 0.00 0.02 0.00 0.00 55.36 57.37 1pux s GLN 29 Cb -0.31 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 1pux s GLN 29 CO 0.36 0.13 -0.18 0.95 -2.12 0.00 0.00 175.29 174.44 1pux s THR 30 N 0.42 1.84 -0.01 -0.19 -4.23 -1.26 -2.87 115.64 109.34 1pux s THR 30 Ca 0.43 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 1pux s THR 30 Cb -0.21 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.73 1pux s THR 30 CO 0.25 -0.38 0.16 0.12 -0.54 0.00 0.00 174.62 174.23 1pux s PHE 31 N -2.26 -0.02 0.15 3.99 2.19 -1.20 -5.03 117.98 115.81 1pux s PHE 31 Ca 0.18 -0.00 0.07 0.00 0.33 0.00 0.00 56.93 57.51 1pux s PHE 31 Cb -0.05 -0.02 -0.04 0.00 -1.31 0.00 0.00 43.02 41.61 1pux s PHE 31 CO 0.07 -0.27 -0.04 -0.65 1.83 0.00 0.00 175.22 176.16 1pux s GLN 32 N -1.16 2.30 0.18 10.12 1.11 -1.26 -0.11 119.66 130.85 1pux s GLN 32 Ca -0.12 -1.10 -0.01 0.00 0.01 0.00 0.00 55.36 54.14 1pux s GLN 32 Cb -0.06 -2.33 -0.04 0.00 -1.01 0.00 0.00 33.01 29.57 1pux s GLN 32 CO 0.02 0.47 0.10 0.00 0.01 0.00 0.00 175.29 175.88 1pux s ALA 33 N -1.59 1.15 -0.34 6.09 0.00 -1.01 -4.96 121.76 121.10 1pux s ALA 33 Ca 0.26 -1.65 0.11 0.00 0.00 0.00 0.00 51.96 50.68 1pux s ALA 33 Cb -0.10 1.16 0.46 0.00 0.00 0.00 0.00 23.12 24.64 1pux s ALA 33 CO 0.17 -0.53 1.10 0.00 0.00 0.00 0.00 175.76 176.50 1pux n ALA 34 N -0.24 4.30 0.00 0.00 0.00 -1.26 -1.88 120.51 121.43 1pux n ALA 34 Ca -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1pux n ALA 34 Cb 0.65 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1pux n ALA 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pux n ASN 35 N -0.49 0.00 -0.07 0.00 3.02 -1.26 -4.96 115.26 111.50 1pux n ASN 35 Ca 0.29 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.63 1pux n ASN 35 Cb 0.81 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.85 1pux n ASN 35 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1pux h GLY 36 N 0.00 0.09 0.55 7.41 0.00 -1.96 -3.27 103.07 105.89 1pux h GLY 36 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1pux h GLY 36 CO 0.00 0.19 -0.37 -2.00 0.00 0.00 0.00 176.54 174.37 1pux h LEU 37 N -0.73 -1.02 -1.98 3.11 6.46 -1.95 0.78 115.31 119.98 1pux h LEU 37 Ca -0.33 0.09 0.14 0.00 -0.12 0.00 0.00 57.88 57.66 1pux h LEU 37 Cb 1.46 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 41.73 1pux h LEU 37 CO -0.11 -0.50 0.46 1.56 -0.62 0.00 0.00 178.44 179.23 1pux h GLN 38 N -0.72 0.00 0.00 1.25 4.20 -1.93 1.02 115.11 118.93 1pux h GLN 38 Ca -0.01 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 1pux h GLN 38 Cb 0.67 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1pux h GLN 38 CO -0.10 0.00 -1.07 0.00 -0.67 0.00 0.00 178.83 176.99 1pux h ALA 39 N 1.53 0.63 -0.52 3.87 0.00 -0.98 -2.59 119.26 121.20 1pux h ALA 39 Ca 0.23 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1pux h ALA 39 Cb 1.15 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1pux h ALA 39 CO -0.00 0.94 0.14 -0.07 0.00 0.00 0.00 179.25 180.25 1pux h LEU 40 N 0.00 0.78 0.08 0.00 3.38 0.76 0.85 115.31 121.15 1pux h LEU 40 Ca -0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1pux h LEU 40 Cb 1.59 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1pux h LEU 40 CO 0.07 0.80 -0.04 -0.78 0.09 0.00 0.00 178.44 178.58 1pux h ASP 41 N 0.72 -0.09 0.15 -0.43 3.58 -1.41 -3.02 116.42 115.92 1pux h ASP 41 Ca 0.17 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1pux h ASP 41 Cb 0.32 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1pux h ASP 41 CO -0.00 0.53 0.00 0.40 -2.88 0.00 0.00 179.24 177.29 1pux h ILE 42 N -0.78 0.00 0.70 2.25 2.04 -1.43 0.12 117.51 120.41 1pux h ILE 42 Ca -0.01 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1pux h ILE 42 Cb 0.60 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1pux h ILE 42 CO 0.02 0.00 -0.34 0.58 0.00 0.00 0.00 178.15 178.41 1pux h VAL 43 N 0.00 0.19 -0.17 1.67 2.07 0.85 0.15 116.25 121.02 1pux h VAL 43 Ca 0.00 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 67.14 1pux h VAL 43 Cb 0.08 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1pux h VAL 43 CO 0.00 0.02 -0.58 0.74 0.02 0.00 0.00 177.57 177.77 1pux h THR 44 N -1.11 1.33 0.02 2.57 2.02 -1.37 1.64 112.91 118.00 1pux h THR 44 Ca -0.10 -1.84 0.02 0.00 0.77 0.00 0.00 66.41 65.26 1pux h THR 44 Cb 0.75 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1pux h THR 44 CO 0.16 0.57 -0.10 0.50 0.37 0.00 0.00 175.52 177.01 1pux h LYS 45 N 0.41 -0.18 -0.01 6.66 3.64 -0.76 -2.14 116.57 124.18 1pux h LYS 45 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pux h LYS 45 Cb 1.13 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1pux h LYS 45 CO 0.11 -0.12 -0.22 0.39 -2.27 0.00 0.00 179.45 177.34 1pux n GLU 46 N -5.23 1.24 -3.71 1.90 4.71 0.54 -4.96 120.64 115.13 1pux n GLU 46 Ca -0.06 -0.83 -0.10 0.00 -0.01 0.00 0.00 57.16 56.15 1pux n GLU 46 Cb 0.15 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 1pux n GLU 46 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1pux n ARG 47 N -0.15 -0.82 -2.54 3.49 1.85 0.56 -4.79 116.66 114.27 1pux n ARG 47 Ca 0.13 -0.34 -0.35 0.00 -1.00 0.00 0.00 57.85 56.29 1pux n ARG 47 Cb 0.40 0.11 -0.04 0.00 -1.05 0.00 0.00 32.46 31.88 1pux n ARG 47 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1pux s PRO 48 N -5.28 4.00 0.00 2.89 0.04 -1.19 -4.83 135.00 130.63 1pux s PRO 48 Ca 0.10 1.45 0.21 0.00 0.04 0.00 0.00 61.00 62.81 1pux s PRO 48 Cb -0.06 -2.34 1.22 0.00 0.04 0.00 0.00 34.50 33.36 1pux s PRO 48 CO 0.22 -0.28 1.79 -0.25 0.04 0.00 0.00 177.00 178.52 1pux n ASP 49 N -0.47 0.19 -3.62 6.66 9.92 0.26 -4.76 116.55 124.73 1pux n ASP 49 Ca 0.07 -1.37 -0.11 0.00 -0.53 0.00 0.00 54.79 52.85 1pux n ASP 49 Cb 0.51 -0.01 -0.07 0.00 -0.64 0.00 0.00 41.12 40.91 1pux n ASP 49 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1pux s LEU 50 N -1.66 -0.49 0.01 0.64 2.96 -1.14 -4.73 118.68 114.27 1pux s LEU 50 Ca 0.32 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 55.08 1pux s LEU 50 Cb 0.15 2.00 -0.01 0.00 0.50 0.00 0.00 46.19 48.83 1pux s LEU 50 CO 0.25 -0.23 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.32 1pux s VAL 51 N -0.12 0.23 -0.15 1.68 1.01 -1.24 -0.94 120.40 120.87 1pux s VAL 51 Ca 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1pux s VAL 51 Cb -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1pux s VAL 51 CO -0.03 -0.14 -0.20 -0.22 0.00 0.00 0.00 175.10 174.52 1pux s LEU 52 N -0.60 2.03 -0.01 3.92 0.20 -0.18 -2.33 118.68 121.71 1pux s LEU 52 Ca -0.04 -0.58 0.06 0.00 0.69 0.00 0.00 54.13 54.25 1pux s LEU 52 Cb -0.04 -1.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.32 1pux s LEU 52 CO -0.00 0.04 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.69 1pux s LEU 53 N 1.01 2.05 -0.17 -0.68 0.20 -1.11 0.17 118.68 120.15 1pux s LEU 53 Ca -0.03 -0.35 -0.06 0.00 0.69 0.00 0.00 54.13 54.37 1pux s LEU 53 Cb -0.15 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.61 1pux s LEU 53 CO -0.05 0.22 0.03 -0.62 -0.29 0.00 0.00 176.35 175.64 1pux s ASP 54 N -0.50 5.38 0.00 3.68 2.15 -1.20 -3.39 116.67 122.79 1pux s ASP 54 Ca 0.07 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1pux s ASP 54 Cb -0.07 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 1pux s ASP 54 CO -0.01 0.18 0.45 0.23 -0.17 0.00 0.00 175.17 175.85 1pux n MET 55 N 3.50 0.00 -1.14 4.34 2.81 -1.22 -4.54 117.12 120.87 1pux n MET 55 Ca -0.17 0.02 -0.45 0.00 -1.81 0.00 0.00 57.70 55.30 1pux n MET 55 Cb 0.52 -0.95 -0.11 0.00 -0.71 0.00 0.00 33.22 31.97 1pux n MET 55 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1pux n LYS 56 N -0.47 0.00 -3.73 0.03 5.02 -1.26 -2.37 118.16 115.38 1pux n LYS 56 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1pux n LYS 56 Cb 0.00 -1.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 1pux n LYS 56 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pux s ILE 57 N 6.01 -0.01 0.37 -0.18 -1.09 -1.26 -4.93 121.20 120.11 1pux s ILE 57 Ca 1.07 0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 59.28 1pux s ILE 57 Cb -1.20 -0.51 -0.09 0.00 -1.58 0.00 0.00 42.46 39.09 1pux s ILE 57 CO 0.51 0.02 1.06 -2.16 -1.23 0.00 0.00 174.94 173.14 1pux s PRO 58 N 0.66 4.27 0.00 2.79 0.04 -1.26 -2.94 135.00 138.57 1pux s PRO 58 Ca -0.04 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1pux s PRO 58 Cb -0.05 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1pux s PRO 58 CO -0.04 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1pux n GLY 59 N 0.55 2.87 0.00 0.56 0.00 -1.26 -4.83 105.19 103.09 1pux n GLY 59 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1pux n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pux n MET 60 N 0.00 0.00 -0.95 1.61 0.00 -1.22 -5.16 117.12 111.40 1pux n MET 60 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.34 1pux n MET 60 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.28 1pux n MET 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1pux n ASP 61 N 0.00 -4.26 -0.37 6.12 5.68 -1.15 -4.72 116.55 117.85 1pux n ASP 61 Ca 0.00 0.11 0.02 0.00 -0.50 0.00 0.00 54.79 54.43 1pux n ASP 61 Cb 0.00 -0.74 0.07 0.00 -1.14 0.00 0.00 41.12 39.31 1pux n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pux n GLY 62 N 3.13 0.05 0.30 6.12 0.00 -1.00 -3.80 105.19 109.98 1pux n GLY 62 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 1pux n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pux h ILE 63 N 0.94 1.24 0.11 -0.61 2.04 -1.86 -0.67 117.51 118.70 1pux h ILE 63 Ca 0.00 -0.96 -0.29 0.00 1.00 0.00 0.00 64.86 64.61 1pux h ILE 63 Cb 0.30 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1pux h ILE 63 CO 0.02 0.35 -1.53 -0.33 0.00 0.00 0.00 178.15 176.65 1pux h GLU 64 N 0.81 0.22 0.13 2.37 4.39 -1.92 -3.12 114.58 117.46 1pux h GLU 64 Ca 0.16 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1pux h GLU 64 Cb 0.40 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1pux h GLU 64 CO 0.01 1.18 -0.34 0.82 -1.16 0.00 0.00 179.01 179.52 1pux h ILE 65 N -0.30 0.00 -0.39 3.13 1.08 -1.72 1.26 117.51 120.58 1pux h ILE 65 Ca -0.34 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.25 1pux h ILE 65 Cb 1.77 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1pux h ILE 65 CO 0.04 0.00 0.31 -0.07 -0.69 0.00 0.00 178.15 177.73 1pux h LEU 66 N -0.53 0.00 0.32 1.44 -0.00 -1.31 0.47 115.31 115.70 1pux h LEU 66 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1pux h LEU 66 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1pux h LEU 66 CO -0.16 0.00 -0.16 0.11 -0.00 0.00 0.00 178.44 178.24 1pux h LYS 67 N 0.00 -0.42 -0.81 1.13 1.57 -0.79 -2.42 116.57 114.83 1pux h LYS 67 Ca 0.18 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.13 1pux h LYS 67 Cb 0.80 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.15 1pux h LYS 67 CO -0.00 -0.28 0.53 0.00 -0.57 0.00 0.00 179.45 179.13 1pux h ARG 68 N -0.70 0.55 0.28 3.15 3.08 0.20 0.81 114.38 121.75 1pux h ARG 68 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1pux h ARG 68 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1pux h ARG 68 CO 0.07 0.36 -0.33 0.52 -1.07 0.00 0.00 179.97 179.52 1pux h MET 69 N 0.56 -0.64 -0.20 0.04 2.86 -0.10 1.63 114.93 119.09 1pux h MET 69 Ca 0.40 0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.91 1pux h MET 69 Cb 0.74 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1pux h MET 69 CO -0.15 -0.42 -0.54 1.57 1.06 0.00 0.00 176.91 178.42 1pux h LYS 70 N -0.66 0.72 0.00 1.72 5.09 -0.83 -0.70 116.57 121.91 1pux h LYS 70 Ca -0.01 -0.51 -0.01 0.00 0.09 0.00 0.00 60.65 60.21 1pux h LYS 70 Cb 0.62 0.08 -0.00 0.00 0.10 0.00 0.00 32.23 33.03 1pux h LYS 70 CO -0.09 1.13 -0.05 0.28 -2.09 0.00 0.00 179.45 178.62 1pux h VAL 71 N 0.44 0.83 0.02 0.07 2.07 0.82 -2.59 116.25 117.91 1pux h VAL 71 Ca -0.01 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1pux h VAL 71 Cb 1.16 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1pux h VAL 71 CO 0.12 0.05 -0.01 0.40 0.02 0.00 0.00 177.57 178.15 1pux h ILE 72 N 0.00 1.29 -4.13 4.57 1.08 0.27 -3.46 117.51 117.12 1pux h ILE 72 Ca -0.00 -1.85 -0.47 0.00 -0.39 0.00 0.00 64.86 62.15 1pux h ILE 72 Cb 0.11 2.38 -0.27 0.00 -3.07 0.00 0.00 36.82 35.97 1pux h ILE 72 CO 0.01 0.42 -0.80 1.51 -0.69 0.00 0.00 178.15 178.59 1pux s ASP 73 N -5.96 1.68 0.00 1.72 1.47 -0.29 -5.02 116.67 110.27 1pux s ASP 73 Ca -0.14 -0.35 0.20 0.00 1.18 0.00 0.00 52.55 53.45 1pux s ASP 73 Cb -0.02 -0.15 -0.03 0.00 -0.34 0.00 0.00 42.92 42.38 1pux s ASP 73 CO 0.52 0.11 1.00 -1.84 0.68 0.00 0.00 175.17 175.64 1pux n GLU 74 N 2.35 1.27 0.00 2.11 0.28 -1.24 -4.00 120.64 121.41 1pux n GLU 74 Ca -0.16 -0.84 0.10 0.00 -0.16 0.00 0.00 57.16 56.10 1pux n GLU 74 Cb 0.55 -1.42 -0.05 0.00 1.43 0.00 0.00 31.44 31.95 1pux n GLU 74 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1pux n ASN 75 N -0.20 1.31 -4.77 -1.84 5.15 -1.26 -4.95 115.26 108.70 1pux n ASN 75 Ca 0.08 -1.13 -0.41 0.00 -0.60 0.00 0.00 54.58 52.52 1pux n ASN 75 Cb 0.42 0.78 -0.01 0.00 -0.53 0.00 0.00 39.78 40.43 1pux n ASN 75 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1pux s ILE 76 N -2.82 2.32 -0.26 -1.44 2.07 -1.26 -4.99 121.20 114.82 1pux s ILE 76 Ca 0.12 0.31 0.03 0.00 -1.41 0.00 0.00 60.65 59.70 1pux s ILE 76 Cb 0.17 -3.20 0.06 0.00 0.13 0.00 0.00 42.46 39.62 1pux s ILE 76 CO 0.76 0.07 -0.08 -0.60 -1.91 0.00 0.00 174.94 173.17 1pux s ARG 77 N -1.65 2.05 0.04 3.50 3.52 -1.26 -4.93 118.95 120.22 1pux s ARG 77 Ca 0.53 -1.34 -0.05 0.00 -0.13 0.00 0.00 55.73 54.74 1pux s ARG 77 Cb -0.44 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1pux s ARG 77 CO 0.56 -0.62 0.08 0.08 -0.81 0.00 0.00 175.30 174.60 1pux s VAL 78 N 1.13 0.14 0.01 7.11 1.01 -1.26 -3.62 120.40 124.92 1pux s VAL 78 Ca -0.06 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.83 1pux s VAL 78 Cb -0.20 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1pux s VAL 78 CO -0.06 -0.64 -0.22 -0.63 0.00 0.00 0.00 175.10 173.55 1pux s ILE 79 N -2.74 2.45 0.10 2.22 1.01 -0.98 -2.37 121.20 120.90 1pux s ILE 79 Ca -0.04 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.49 1pux s ILE 79 Cb -0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1pux s ILE 79 CO -0.05 0.45 0.18 0.27 0.00 0.00 0.00 174.94 175.79 1pux s ILE 80 N -0.77 4.98 -0.05 2.92 -5.25 -1.18 -2.75 121.20 119.10 1pux s ILE 80 Ca 0.12 -0.68 -0.02 0.00 -0.99 0.00 0.00 60.65 59.08 1pux s ILE 80 Cb -0.10 -3.47 0.04 0.00 2.95 0.00 0.00 42.46 41.87 1pux s ILE 80 CO 0.02 0.04 0.11 0.00 -1.79 0.00 0.00 174.94 173.32 1pux s MET 81 N -2.74 0.01 -0.23 0.37 0.23 -1.22 -1.50 119.30 114.23 1pux s MET 81 Ca 0.33 0.37 -0.29 0.00 -1.03 0.00 0.00 55.69 55.07 1pux s MET 81 Cb -0.12 -0.28 0.16 0.00 -1.53 0.00 0.00 34.83 33.06 1pux s MET 81 CO 0.26 -0.23 1.18 -0.08 -2.03 0.00 0.00 175.02 174.12 1pux s THR 82 N 1.60 0.00 0.88 3.16 -1.32 -0.36 -3.41 115.64 116.20 1pux s THR 82 Ca -0.04 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.32 1pux s THR 82 Cb -0.12 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.95 1pux s THR 82 CO -0.05 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.26 1pux n ALA 83 N 0.81 -1.20 -1.00 11.08 0.00 -1.26 -3.53 120.51 125.41 1pux n ALA 83 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1pux n ALA 83 Cb 0.58 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1pux n ALA 83 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1pux n TYR 84 N -3.67 -0.03 0.00 0.00 4.11 -1.26 -4.38 117.16 111.93 1pux n TYR 84 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1pux n TYR 84 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1pux n TYR 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pux n GLY 85 N 1.60 1.31 2.00 -7.48 0.00 -1.26 -4.52 105.19 96.85 1pux n GLY 85 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1pux n GLY 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pux n GLU 86 N 0.00 1.86 -0.37 1.61 0.28 -1.26 -4.57 120.64 118.20 1pux n GLU 86 Ca 0.00 -1.49 0.29 0.00 -0.16 0.00 0.00 57.16 55.80 1pux n GLU 86 Cb 0.00 -1.70 0.58 0.00 1.43 0.00 0.00 31.44 31.75 1pux n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1pux h LEU 87 N 3.16 0.34 -0.60 -1.84 3.38 -1.88 0.15 115.31 118.03 1pux h LEU 87 Ca 0.27 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.42 1pux h LEU 87 Cb 0.93 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1pux h LEU 87 CO 0.64 -0.02 -0.47 0.44 0.09 0.00 0.00 178.44 179.12 1pux h ASP 88 N 0.25 -1.62 0.10 -0.43 3.32 -1.98 1.79 116.42 117.85 1pux h ASP 88 Ca 0.68 0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.98 1pux h ASP 88 Cb 1.95 0.72 0.00 0.00 0.22 0.00 0.00 39.33 42.22 1pux h ASP 88 CO -0.32 -0.34 -0.05 -0.03 -1.72 0.00 0.00 179.24 176.78 1pux h MET 89 N -0.23 -0.13 -0.25 3.56 4.05 -1.11 -1.36 114.93 119.47 1pux h MET 89 Ca 0.17 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.66 1pux h MET 89 Cb 0.56 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.32 1pux h MET 89 CO -0.71 0.02 -0.23 0.82 0.23 0.00 0.00 176.91 177.04 1pux h ILE 90 N -0.26 0.40 -0.38 1.77 2.04 -0.78 -0.75 117.51 119.55 1pux h ILE 90 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1pux h ILE 90 Cb 0.21 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 1pux h ILE 90 CO 0.02 0.00 -0.12 1.56 0.00 0.00 0.00 178.15 179.61 1pux h GLN 91 N -0.24 -0.04 -0.53 2.37 1.08 0.28 -0.93 115.11 117.11 1pux h GLN 91 Ca 0.14 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.45 1pux h GLN 91 Cb 0.45 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.79 1pux h GLN 91 CO -0.39 -0.03 -0.09 0.93 -0.95 0.00 0.00 178.83 178.31 1pux h GLU 92 N -0.04 0.03 -0.43 1.46 5.08 -0.07 0.57 114.58 121.18 1pux h GLU 92 Ca 0.19 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 1pux h GLU 92 Cb 0.32 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1pux h GLU 92 CO -0.42 0.02 0.06 0.66 -1.00 0.00 0.00 179.01 178.33 1pux h SER 93 N 0.03 -0.06 0.22 1.42 4.64 0.11 1.46 113.55 121.37 1pux h SER 93 Ca 0.26 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1pux h SER 93 Cb 0.40 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1pux h SER 93 CO -0.51 0.00 -0.11 0.50 -0.87 0.00 0.00 176.83 175.84 1pux h LYS 94 N 0.18 -0.29 0.00 4.77 3.64 0.01 -1.24 116.57 123.65 1pux h LYS 94 Ca 0.21 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1pux h LYS 94 Cb 0.29 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1pux h LYS 94 CO -0.31 -0.13 0.00 0.39 -2.27 0.00 0.00 179.45 177.13 1pux n GLU 95 N -5.18 0.10 0.20 1.90 -0.58 0.18 -1.04 120.64 116.22 1pux n GLU 95 Ca -0.09 0.43 0.14 0.00 -0.42 0.00 0.00 57.16 57.22 1pux n GLU 95 Cb 0.17 -1.74 0.44 0.00 -0.57 0.00 0.00 31.44 29.73 1pux n GLU 95 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1pux h LEU 96 N 0.00 0.00 0.00 -4.62 4.07 0.32 -3.46 115.31 111.62 1pux h LEU 96 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pux h LEU 96 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1pux h LEU 96 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1pux n GLY 97 N 0.61 1.83 3.90 0.83 0.00 -0.21 -4.84 105.19 107.32 1pux n GLY 97 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1pux n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pux s ALA 98 N -2.00 3.32 0.15 4.61 0.00 -1.06 -4.88 121.76 121.90 1pux s ALA 98 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 1pux s ALA 98 Cb 0.00 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.43 1pux s ALA 98 CO 0.00 -0.47 1.77 -0.07 0.00 0.00 0.00 175.76 176.98 1pux h LEU 99 N 0.06 0.52 0.00 0.00 -0.00 -1.81 -3.45 115.31 110.63 1pux h LEU 99 Ca -0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 1pux h LEU 99 Cb 1.21 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1pux h LEU 99 CO 0.62 0.45 0.00 1.07 -0.00 0.00 0.00 178.44 180.57 1pux n THR 100 N -4.73 0.00 -3.70 0.22 5.66 -1.26 -5.04 114.28 105.44 1pux n THR 100 Ca 0.01 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.86 1pux n THR 100 Cb 0.07 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.70 1pux n THR 100 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1pux s HIS 101 N -3.30 -0.22 0.19 1.09 -3.43 -1.26 -3.08 115.29 105.28 1pux s HIS 101 Ca 0.00 0.64 0.06 0.00 -0.80 0.00 0.00 55.06 54.96 1pux s HIS 101 Cb 0.00 -0.15 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 1pux s HIS 101 CO 0.00 -0.25 0.15 -0.06 -2.00 0.00 0.00 174.74 172.58 1pux s PHE 102 N 1.88 3.12 -0.03 0.38 0.08 -0.56 -5.02 117.98 117.83 1pux s PHE 102 Ca -0.02 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 1pux s PHE 102 Cb -0.12 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1pux s PHE 102 CO -0.06 0.52 0.09 0.00 -0.10 0.00 0.00 175.22 175.67 1pux s ALA 103 N -1.88 3.64 0.06 5.36 0.00 -1.26 -1.22 121.76 126.47 1pux s ALA 103 Ca 0.31 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 1pux s ALA 103 Cb -0.09 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1pux s ALA 103 CO 0.24 0.68 0.64 1.63 0.00 0.00 0.00 175.76 178.94 1pux n LYS 104 N 1.34 -0.18 -2.31 0.00 5.02 -1.23 -2.73 118.16 118.07 1pux n LYS 104 Ca -0.14 0.62 -0.36 0.00 -2.02 0.00 0.00 58.31 56.41 1pux n LYS 104 Cb 0.53 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.59 1pux n LYS 104 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pux s PRO 105 N -5.15 3.01 0.12 1.97 0.04 -1.26 -4.94 135.00 128.79 1pux s PRO 105 Ca -0.05 -0.34 0.06 0.00 0.04 0.00 0.00 61.00 60.71 1pux s PRO 105 Cb 0.04 -4.82 -0.04 0.00 0.04 0.00 0.00 34.50 29.73 1pux s PRO 105 CO 0.25 -2.63 -0.14 -0.59 0.04 0.00 0.00 177.00 173.93 1pux s PHE 106 N 7.43 1.38 -0.08 0.56 -0.12 -1.11 -5.15 117.98 120.90 1pux s PHE 106 Ca 0.55 -0.56 0.02 0.00 -0.05 0.00 0.00 56.93 56.89 1pux s PHE 106 Cb -0.06 -0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 41.58 1pux s PHE 106 CO 0.04 0.14 -0.14 0.34 -0.05 0.00 0.00 175.22 175.55 1pux s ASP 107 N -2.47 4.02 0.28 1.98 2.15 -1.26 -5.01 116.67 116.37 1pux s ASP 107 Ca 0.09 -0.24 -0.03 0.00 0.43 0.00 0.00 52.55 52.80 1pux s ASP 107 Cb -0.05 -1.11 0.39 0.00 -0.30 0.00 0.00 42.92 41.85 1pux s ASP 107 CO 0.03 0.28 1.89 0.40 -0.17 0.00 0.00 175.17 177.61 1pux h ILE 108 N 4.71 1.22 -0.72 4.11 5.03 -2.01 0.36 117.51 130.22 1pux h ILE 108 Ca -0.39 -0.59 0.05 0.00 -0.12 0.00 0.00 64.86 63.80 1pux h ILE 108 Cb 1.17 0.27 -0.05 0.00 -3.03 0.00 0.00 36.82 35.18 1pux h ILE 108 CO 0.52 0.26 0.43 -0.78 -0.68 0.00 0.00 178.15 177.90 1pux h ASP 109 N 1.02 0.68 1.34 1.72 1.82 -1.99 1.13 116.42 122.14 1pux h ASP 109 Ca 0.25 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.82 1pux h ASP 109 Cb 0.06 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1pux h ASP 109 CO -0.04 0.45 -0.43 1.05 -1.61 0.00 0.00 179.24 178.67 1pux h GLU 110 N 0.81 0.00 0.00 0.28 4.11 -1.76 -3.03 114.58 115.00 1pux h GLU 110 Ca 0.30 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.63 1pux h GLU 110 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1pux h GLU 110 CO -0.15 0.43 -0.52 0.82 0.07 0.00 0.00 179.01 179.66 1pux h ILE 111 N 0.00 0.91 0.00 -1.06 5.03 0.13 -3.05 117.51 119.47 1pux h ILE 111 Ca -0.00 -2.25 -0.01 0.00 -0.12 0.00 0.00 64.86 62.47 1pux h ILE 111 Cb 1.21 2.42 -0.00 0.00 -3.03 0.00 0.00 36.82 37.42 1pux h ILE 111 CO 0.06 0.51 -0.07 0.03 -0.68 0.00 0.00 178.15 178.00 1pux h ARG 112 N 0.00 0.00 0.06 2.37 3.08 0.14 0.37 114.38 120.40 1pux h ARG 112 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 1pux h ARG 112 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1pux h ARG 112 CO 0.07 0.07 -0.94 0.22 -1.07 0.00 0.00 179.97 178.32 1pux h ASP 113 N 0.00 0.20 0.79 7.04 1.82 -1.59 -3.21 116.42 121.47 1pux h ASP 113 Ca -0.00 -0.82 -0.03 0.00 -0.39 0.00 0.00 57.03 55.79 1pux h ASP 113 Cb 0.44 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 1pux h ASP 113 CO 0.01 1.40 -0.15 0.00 -1.61 0.00 0.00 179.24 178.89 1pux h ALA 114 N -0.13 1.07 -0.14 -0.78 0.00 -1.42 -2.21 119.26 115.66 1pux h ALA 114 Ca -0.22 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1pux h ALA 114 Cb 1.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1pux h ALA 114 CO -0.01 0.19 -0.41 0.28 0.00 0.00 0.00 179.25 179.30 1pux h VAL 115 N 0.00 1.31 -0.92 0.00 2.07 -0.36 0.48 116.25 118.84 1pux h VAL 115 Ca -0.00 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.00 1pux h VAL 115 Cb 0.58 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1pux h VAL 115 CO 0.02 0.47 0.61 0.50 0.02 0.00 0.00 177.57 179.19 1pux h LYS 116 N 0.27 1.15 0.10 1.57 3.64 -1.39 0.14 116.57 122.05 1pux h LYS 116 Ca 0.02 -0.07 -0.30 0.00 -1.27 0.00 0.00 60.65 59.03 1pux h LYS 116 Cb 0.85 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1pux h LYS 116 CO 0.07 0.76 -1.55 -0.22 -2.27 0.00 0.00 179.45 176.24 1pux h LYS 117 N 1.19 0.21 -0.34 1.90 3.64 -1.52 -3.35 116.57 118.30 1pux h LYS 117 Ca 0.36 -0.36 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1pux h LYS 117 Cb -0.03 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1pux h LYS 117 CO -0.10 1.05 0.10 -0.92 -2.27 0.00 0.00 179.45 177.31 1pux h TYR 118 N 0.06 0.17 -3.47 1.91 5.03 0.59 -3.42 116.97 117.84 1pux h TYR 118 Ca -0.25 0.02 -0.51 0.00 2.58 0.00 0.00 58.73 60.57 1pux h TYR 118 Cb 2.00 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 40.25 1pux h TYR 118 CO 0.05 0.06 -0.03 -1.17 -1.32 0.00 0.00 178.16 175.76 1pux s LEU 119 N -10.33 4.01 -0.92 2.82 0.20 0.44 -4.95 118.68 109.94 1pux s LEU 119 Ca -0.13 0.95 -0.07 0.00 0.69 0.00 0.00 54.13 55.57 1pux s LEU 119 Cb 0.12 -3.78 -0.10 0.00 -0.43 0.00 0.00 46.19 42.00 1pux s LEU 119 CO 0.71 -0.24 2.58 -0.81 -0.29 0.00 0.00 176.35 178.29 1pux n PRO 120 N -0.83 2.47 -2.90 0.98 -0.04 -1.26 -4.81 135.00 128.61 1pux n PRO 120 Ca 0.01 -1.52 -0.22 0.00 -0.04 0.00 0.00 63.50 61.72 1pux n PRO 120 Cb 0.54 -2.42 0.02 0.00 -0.04 0.00 0.00 33.50 31.59 1pux n PRO 120 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pux s LEU 121 N 0.10 3.55 -0.32 1.53 2.96 -1.26 -4.97 118.68 120.27 1pux s LEU 121 Ca 0.52 0.21 -0.43 0.00 -0.22 0.00 0.00 54.13 54.21 1pux s LEU 121 Cb 0.16 -3.09 -0.19 0.00 0.50 0.00 0.00 46.19 43.57 1pux s LEU 121 CO -0.03 -0.81 1.54 1.17 -1.32 0.00 0.00 176.35 176.90 1pux n LYS 122 N -2.15 0.41 -1.99 1.98 4.81 -1.26 -4.80 118.16 115.16 1pux n LYS 122 Ca 0.03 0.15 -0.42 0.00 -0.87 0.00 0.00 58.31 57.20 1pux n LYS 122 Cb 0.58 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 1pux n LYS 122 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pux s SER 123 N 2.53 6.64 0.00 3.14 1.04 -1.26 -5.02 113.70 120.78 1pux s SER 123 Ca 1.00 2.52 0.13 0.00 0.48 0.00 0.00 55.95 60.08 1pux s SER 123 Cb -1.31 -2.59 0.77 0.00 0.10 0.00 0.00 66.02 63.00 1pux s SER 123 CO 0.71 -0.80 1.20 -3.20 0.98 0.00 0.00 173.24 172.13