#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pux s MET 2 N 0.00 0.91 0.00 0.03 -2.45 -1.26 -5.17 119.30 111.36 1pux s MET 2 Ca 0.00 0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.76 1pux s MET 2 Cb 0.00 0.43 0.00 0.00 1.25 0.00 0.00 34.83 36.51 1pux s MET 2 CO 0.00 -0.25 0.00 -1.71 1.05 0.00 0.00 175.02 174.11 1pux n ASN 3 N 1.40 0.00 -2.60 1.11 2.85 -1.26 -5.09 115.26 111.67 1pux n ASN 3 Ca -0.18 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.15 1pux n ASN 3 Cb 0.56 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.53 1pux n ASN 3 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1pux n GLU 4 N -0.01 0.31 -3.74 1.20 1.02 -1.26 -5.10 120.64 113.06 1pux n GLU 4 Ca 0.00 -2.35 -0.12 0.00 -0.02 0.00 0.00 57.16 54.67 1pux n GLU 4 Cb 0.00 1.89 -0.07 0.00 -0.02 0.00 0.00 31.44 33.24 1pux n GLU 4 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pux s LYS 5 N -2.96 0.80 -0.01 3.49 3.01 -1.26 -3.66 119.74 119.14 1pux s LYS 5 Ca 0.27 -0.43 -0.29 0.00 -1.01 0.00 0.00 55.97 54.51 1pux s LYS 5 Cb 0.01 0.35 0.08 0.00 -1.01 0.00 0.00 37.83 37.26 1pux s LYS 5 CO 0.19 -0.25 0.70 0.42 0.51 0.00 0.00 175.35 176.92 1pux s ILE 6 N -2.32 0.00 0.02 2.17 1.01 -1.10 -0.64 121.20 120.34 1pux s ILE 6 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.62 1pux s ILE 6 Cb -0.02 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1pux s ILE 6 CO -0.02 0.00 -0.11 -0.22 0.00 0.00 0.00 174.94 174.59 1pux s LEU 7 N -1.57 2.13 -0.14 2.97 2.96 -0.97 -3.17 118.68 120.89 1pux s LEU 7 Ca -0.07 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1pux s LEU 7 Cb -0.00 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.23 1pux s LEU 7 CO 0.04 0.01 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.24 1pux s ILE 8 N -0.72 2.15 -0.11 6.68 1.01 0.89 -0.14 121.20 130.95 1pux s ILE 8 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1pux s ILE 8 Cb -0.07 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1pux s ILE 8 CO 0.01 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.60 1pux s VAL 9 N 0.81 1.81 0.02 2.92 1.01 0.30 -1.77 120.40 125.51 1pux s VAL 9 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1pux s VAL 9 Cb -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1pux s VAL 9 CO -0.02 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.06 1pux n ASP 10 N 3.95 -1.79 -0.02 3.32 9.92 -1.09 -2.65 116.55 128.19 1pux n ASP 10 Ca -0.20 0.09 -0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1pux n ASP 10 Cb 0.52 -0.34 -0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1pux n ASP 10 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1pux n ASP 11 N -3.88 -5.37 -4.56 -2.24 2.03 -1.26 -4.63 116.55 96.64 1pux n ASP 11 Ca 0.00 0.01 -0.41 0.00 0.52 0.00 0.00 54.79 54.91 1pux n ASP 11 Cb 0.04 -2.89 -0.03 0.00 -0.72 0.00 0.00 41.12 37.52 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 -1.61 3.22 -0.04 -0.67 -2.07 -1.26 -4.67 119.66 112.56 1pux s GLN 12 Ca 0.00 0.01 0.19 0.00 -1.82 0.00 0.00 55.36 53.73 1pux s GLN 12 Cb 0.00 -4.16 0.35 0.00 -1.09 0.00 0.00 33.01 28.11 1pux s GLN 12 CO 0.00 -2.09 1.15 0.98 -1.32 0.00 0.00 175.29 174.01 1pux n TYR 13 N 9.51 0.00 0.00 9.60 9.36 -1.26 -4.93 117.16 139.44 1pux n TYR 13 Ca 0.07 -0.61 0.00 0.00 3.32 0.00 0.00 57.90 60.68 1pux n TYR 13 Cb 0.49 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 1pux n TYR 13 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pux n GLY 14 N 0.05 0.25 0.14 2.98 0.00 -1.26 -4.92 105.19 102.43 1pux n GLY 14 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 1.14 -1.00 -0.61 5.03 -1.92 -3.22 117.51 116.93 1pux h ILE 15 Ca 0.00 -2.67 0.26 0.00 -0.12 0.00 0.00 64.86 62.34 1pux h ILE 15 Cb 0.00 2.88 -0.13 0.00 -3.03 0.00 0.00 36.82 36.54 1pux h ILE 15 CO 0.00 0.84 0.57 0.08 -0.68 0.00 0.00 178.15 178.96 1pux h ARG 16 N 0.12 0.49 -0.03 2.37 0.11 -1.91 0.21 114.38 115.73 1pux h ARG 16 Ca -0.28 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 1pux h ARG 16 Cb 2.11 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 33.08 1pux h ARG 16 CO 0.22 0.32 -0.02 0.82 0.10 0.00 0.00 179.97 181.40 1pux h ILE 17 N 0.50 1.36 -0.83 0.08 2.04 -1.97 0.21 117.51 118.90 1pux h ILE 17 Ca 0.66 -1.10 0.14 0.00 1.00 0.00 0.00 64.86 65.56 1pux h ILE 17 Cb 1.33 2.03 -0.14 0.00 -0.74 0.00 0.00 36.82 39.29 1pux h ILE 17 CO -0.51 0.30 -0.34 0.25 0.00 0.00 0.00 178.15 177.84 1pux h LEU 18 N -0.35 -1.23 -0.67 1.44 5.85 -0.63 1.71 115.31 121.42 1pux h LEU 18 Ca 0.01 0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1pux h LEU 18 Cb 0.49 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1pux h LEU 18 CO 0.01 -0.29 -0.35 0.17 -0.34 0.00 0.00 178.44 177.63 1pux h LEU 19 N -0.06 0.00 0.81 2.25 8.10 -1.25 -2.84 115.31 122.33 1pux h LEU 19 Ca 0.32 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.27 1pux h LEU 19 Cb 0.59 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.81 1pux h LEU 19 CO -0.86 0.35 -0.39 -1.13 -4.11 0.00 0.00 178.44 172.30 1pux h ASN 20 N 0.00 -0.92 -0.17 0.17 -1.24 0.56 -0.60 115.58 113.37 1pux h ASN 20 Ca -0.00 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.09 1pux h ASN 20 Cb 1.01 0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.29 1pux h ASN 20 CO 0.05 -0.62 0.16 -0.08 -1.29 0.00 0.00 177.43 175.64 1pux h GLU 21 N -1.17 0.00 -0.23 6.67 4.81 0.13 2.61 114.58 127.40 1pux h GLU 21 Ca -0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1pux h GLU 21 Cb 0.84 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1pux h GLU 21 CO 0.18 0.00 0.02 0.28 -0.73 0.00 0.00 179.01 178.77 1pux h VAL 22 N 0.00 1.24 0.15 0.32 2.07 -1.20 -2.88 116.25 115.96 1pux h VAL 22 Ca 0.08 -0.82 -0.34 0.00 0.82 0.00 0.00 66.70 66.44 1pux h VAL 22 Cb 0.39 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1pux h VAL 22 CO -0.00 0.26 -1.77 -0.26 0.02 0.00 0.00 177.57 175.82 1pux h PHE 23 N 0.19 0.58 -1.29 1.57 0.04 0.50 -3.32 116.94 115.20 1pux h PHE 23 Ca 0.07 -0.43 0.37 0.00 2.80 0.00 0.00 57.97 60.79 1pux h PHE 23 Cb 0.36 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.42 1pux h PHE 23 CO 0.03 1.62 0.91 -0.97 -0.60 0.00 0.00 178.31 179.29 1pux h ASN 24 N 0.09 0.10 -0.07 2.17 -1.24 0.44 1.62 115.58 118.69 1pux h ASN 24 Ca -0.34 0.03 0.02 0.00 0.71 0.00 0.00 56.30 56.72 1pux h ASN 24 Cb 2.07 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 41.13 1pux h ASN 24 CO 0.15 -0.00 0.42 0.11 -1.29 0.00 0.00 177.43 176.82 1pux h LYS 25 N 0.08 0.00 0.00 6.67 1.57 -1.61 1.84 116.57 125.12 1pux h LYS 25 Ca 0.65 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.38 1pux h LYS 25 Cb 2.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.69 1pux h LYS 25 CO -0.10 0.00 -1.15 0.39 -0.57 0.00 0.00 179.45 178.02 1pux n GLU 26 N -2.97 0.61 -0.48 3.15 1.02 0.55 -4.95 120.64 117.57 1pux n GLU 26 Ca -0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1pux n GLU 26 Cb 0.49 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1pux n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pux n GLY 27 N 1.25 0.74 3.76 0.62 0.00 0.62 -4.92 105.19 107.27 1pux n GLY 27 Ca -0.03 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 2.54 0.02 1.61 1.13 -1.26 -4.96 117.35 114.44 1pux s TYR 28 Ca 0.00 1.53 -0.24 0.00 -1.41 0.00 0.00 57.07 56.95 1pux s TYR 28 Cb 0.00 -3.38 -0.05 0.00 -1.10 0.00 0.00 41.96 37.42 1pux s TYR 28 CO 0.00 -1.88 0.72 -1.14 -2.51 0.00 0.00 175.55 170.74 1pux s GLN 29 N -3.29 4.45 0.23 -3.49 0.74 -1.24 -4.76 119.66 112.29 1pux s GLN 29 Ca 0.75 0.96 0.09 0.00 0.05 0.00 0.00 55.36 57.21 1pux s GLN 29 Cb -0.27 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 1pux s GLN 29 CO 0.30 0.28 -0.16 0.95 -0.55 0.00 0.00 175.29 176.10 1pux s THR 30 N 0.02 1.98 -0.03 -0.34 -4.23 -1.26 -2.71 115.64 109.07 1pux s THR 30 Ca 0.37 -2.26 -0.15 0.00 -1.18 0.00 0.00 61.69 58.47 1pux s THR 30 Cb -0.20 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.56 1pux s THR 30 CO 0.21 -0.52 0.32 0.12 -0.54 0.00 0.00 174.62 174.21 1pux s PHE 31 N -2.77 -0.21 0.01 3.99 2.19 -1.19 -5.02 117.98 114.98 1pux s PHE 31 Ca 0.24 0.34 0.05 0.00 0.33 0.00 0.00 56.93 57.90 1pux s PHE 31 Cb -0.02 0.11 -0.03 0.00 -1.31 0.00 0.00 43.02 41.76 1pux s PHE 31 CO 0.09 -0.37 -0.13 -1.14 1.83 0.00 0.00 175.22 175.50 1pux s GLN 32 N -1.18 2.35 -0.04 10.12 0.74 -1.25 -0.08 119.66 130.32 1pux s GLN 32 Ca -0.12 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 54.46 1pux s GLN 32 Cb -0.05 -2.35 0.03 0.00 1.10 0.00 0.00 33.01 31.74 1pux s GLN 32 CO 0.04 0.58 0.08 0.00 -0.55 0.00 0.00 175.29 175.44 1pux s ALA 33 N -0.91 0.00 -0.36 1.58 0.00 -0.73 -4.98 121.76 116.37 1pux s ALA 33 Ca 0.15 0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.61 1pux s ALA 33 Cb -0.11 -0.43 0.67 0.00 0.00 0.00 0.00 23.12 23.25 1pux s ALA 33 CO 0.05 -0.25 1.62 0.00 0.00 0.00 0.00 175.76 177.18 1pux n ALA 34 N 4.54 4.04 -3.50 0.00 0.00 -1.26 -2.67 120.51 121.65 1pux n ALA 34 Ca -0.20 -1.83 -0.17 0.00 0.00 0.00 0.00 53.44 51.24 1pux n ALA 34 Cb 0.50 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1pux n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pux s ASN 35 N -0.73 -0.64 -0.00 0.00 2.20 -1.26 -4.97 114.94 109.55 1pux s ASN 35 Ca 0.47 0.60 -0.24 0.00 -0.94 0.00 0.00 52.86 52.74 1pux s ASN 35 Cb 0.37 0.54 -0.17 0.00 -2.00 0.00 0.00 41.25 40.00 1pux s ASN 35 CO 0.13 -0.66 1.19 1.23 -2.94 0.00 0.00 177.10 176.05 1pux h GLY 36 N 2.83 -0.37 -0.14 0.45 0.00 -1.95 -2.04 103.07 101.85 1pux h GLY 36 Ca -0.28 0.14 0.14 0.00 0.00 0.00 0.00 47.33 47.33 1pux h GLY 36 CO 0.39 -0.13 0.02 -2.00 0.00 0.00 0.00 176.54 174.81 1pux h LEU 37 N -0.74 -0.27 -1.90 3.11 6.46 -1.97 1.16 115.31 121.15 1pux h LEU 37 Ca -0.04 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1pux h LEU 37 Cb 0.50 0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1pux h LEU 37 CO 0.06 -0.12 -0.05 1.56 -0.62 0.00 0.00 178.44 179.26 1pux h GLN 38 N 0.13 0.00 0.00 1.25 4.20 -1.97 0.84 115.11 119.56 1pux h GLN 38 Ca 0.35 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 1pux h GLN 38 Cb 0.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1pux h GLN 38 CO -0.56 0.05 -0.45 0.00 -0.67 0.00 0.00 178.83 177.21 1pux h ALA 39 N 1.95 0.79 -0.43 3.87 0.00 0.16 -2.62 119.26 122.97 1pux h ALA 39 Ca -0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1pux h ALA 39 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pux h ALA 39 CO 0.01 0.18 -0.21 -0.07 0.00 0.00 0.00 179.25 179.16 1pux h LEU 40 N 0.00 0.94 0.17 0.00 3.38 0.33 0.43 115.31 120.57 1pux h LEU 40 Ca -0.01 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1pux h LEU 40 Cb 1.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1pux h LEU 40 CO 0.02 1.13 -0.08 -0.78 0.09 0.00 0.00 178.44 178.82 1pux h ASP 41 N 0.74 -0.20 -0.14 -0.43 3.58 -1.46 -3.18 116.42 115.33 1pux h ASP 41 Ca 0.10 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.33 1pux h ASP 41 Cb 0.78 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1pux h ASP 41 CO 0.06 0.36 0.16 0.40 -2.88 0.00 0.00 179.24 177.34 1pux h ILE 42 N -0.96 0.50 -0.22 2.25 2.04 -1.52 0.22 117.51 119.81 1pux h ILE 42 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1pux h ILE 42 Cb 0.45 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 1pux h ILE 42 CO 0.04 0.00 -0.32 0.58 0.00 0.00 0.00 178.15 178.44 1pux h VAL 43 N 0.00 0.27 0.12 1.67 2.07 -0.09 1.14 116.25 121.42 1pux h VAL 43 Ca 0.07 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.28 1pux h VAL 43 Cb 0.38 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1pux h VAL 43 CO -0.00 0.00 -1.57 0.74 0.02 0.00 0.00 177.57 176.76 1pux h THR 44 N -0.35 1.10 -0.99 2.57 2.02 -1.41 0.26 112.91 116.12 1pux h THR 44 Ca 0.12 -2.76 0.08 0.00 0.77 0.00 0.00 66.41 64.63 1pux h THR 44 Cb 0.54 2.73 -0.07 0.00 -1.74 0.00 0.00 68.15 69.61 1pux h THR 44 CO -0.41 0.81 0.64 0.50 0.37 0.00 0.00 175.52 177.42 1pux h LYS 45 N 0.07 1.07 -0.01 6.66 3.64 -0.28 -1.46 116.57 126.26 1pux h LYS 45 Ca -0.26 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1pux h LYS 45 Cb 2.02 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1pux h LYS 45 CO 0.15 0.71 -0.62 0.39 -2.27 0.00 0.00 179.45 177.81 1pux n GLU 46 N -4.53 1.30 -3.44 1.90 -0.58 0.39 -4.99 120.64 110.68 1pux n GLU 46 Ca 0.16 -0.43 -0.09 0.00 -0.42 0.00 0.00 57.16 56.38 1pux n GLU 46 Cb 0.24 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1pux n GLU 46 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1pux n ARG 47 N -0.77 -0.67 -2.54 3.49 1.85 0.92 -4.78 116.66 114.16 1pux n ARG 47 Ca 0.06 -0.18 -0.34 0.00 -1.00 0.00 0.00 57.85 56.38 1pux n ARG 47 Cb 0.33 -0.09 -0.04 0.00 -1.05 0.00 0.00 32.46 31.62 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 -4.51 3.84 0.00 2.89 0.04 -1.22 -4.77 135.00 131.26 1pux s PRO 48 Ca 0.07 1.38 0.29 0.00 0.04 0.00 0.00 61.00 62.78 1pux s PRO 48 Cb -0.04 -2.14 1.20 0.00 0.04 0.00 0.00 34.50 33.56 1pux s PRO 48 CO 0.22 -0.40 1.83 -0.25 0.04 0.00 0.00 177.00 178.44 1pux n ASP 49 N -0.88 0.83 -3.35 6.66 9.92 0.19 -4.73 116.55 125.20 1pux n ASP 49 Ca 0.09 -1.01 0.02 0.00 -0.53 0.00 0.00 54.79 53.36 1pux n ASP 49 Cb 0.52 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 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 -2.24 -0.75 -0.00 0.64 1.98 -1.15 -4.92 118.68 112.24 1pux s LEU 50 Ca 0.34 0.81 0.08 0.00 -2.89 0.00 0.00 54.13 52.47 1pux s LEU 50 Cb 0.21 1.76 -0.02 0.00 0.66 0.00 0.00 46.19 48.80 1pux s LEU 50 CO 0.42 -0.14 -0.26 0.54 -1.89 0.00 0.00 176.35 175.02 1pux s VAL 51 N 2.68 2.04 -0.14 1.68 0.11 -1.21 -2.29 120.40 123.26 1pux s VAL 51 Ca 0.01 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 1pux s VAL 51 Cb -0.09 -1.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1pux s VAL 51 CO -0.17 0.52 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.71 1pux s LEU 52 N -0.76 2.33 0.02 2.54 0.20 0.80 -1.22 118.68 122.59 1pux s LEU 52 Ca 0.10 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.43 1pux s LEU 52 Cb -0.10 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.14 1pux s LEU 52 CO -0.00 0.11 -0.06 -0.22 -0.29 0.00 0.00 176.35 175.88 1pux s LEU 53 N 0.68 2.15 -0.20 -0.68 0.20 -0.45 0.11 118.68 120.50 1pux s LEU 53 Ca -0.09 -0.35 -0.06 0.00 0.69 0.00 0.00 54.13 54.33 1pux s LEU 53 Cb -0.16 -0.18 -0.03 0.00 -0.43 0.00 0.00 46.19 45.39 1pux s LEU 53 CO 0.02 -0.10 0.02 -0.62 -0.29 0.00 0.00 176.35 175.38 1pux s ASP 54 N -0.95 5.01 0.11 3.68 2.15 -1.08 -3.23 116.67 122.36 1pux s ASP 54 Ca -0.05 -0.15 -0.32 0.00 0.43 0.00 0.00 52.55 52.46 1pux s ASP 54 Cb -0.07 -1.86 -0.11 0.00 -0.30 0.00 0.00 42.92 40.58 1pux s ASP 54 CO 0.00 0.08 1.58 0.24 -0.17 0.00 0.00 175.17 176.90 1pux h MET 55 N 7.38 -0.66 -5.66 4.34 2.86 -1.93 -3.39 114.93 117.88 1pux h MET 55 Ca -0.36 0.05 -0.56 0.00 -2.06 0.00 0.00 59.70 56.77 1pux h MET 55 Cb 1.18 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 1pux h MET 55 CO 0.62 -0.44 1.57 1.17 1.06 0.00 0.00 176.91 180.89 1pux n LYS 56 N -5.48 0.89 -3.98 1.72 4.81 -1.26 -2.17 118.16 112.69 1pux n LYS 56 Ca -0.08 0.15 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1pux n LYS 56 Cb 0.39 -2.64 -0.13 0.00 0.02 0.00 0.00 35.03 32.67 1pux n LYS 56 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1pux s ILE 57 N 9.38 0.18 -0.03 3.15 1.01 -1.26 -4.84 121.20 128.79 1pux s ILE 57 Ca 1.11 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 1pux s ILE 57 Cb -0.68 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1pux s ILE 57 CO 0.40 -0.12 1.21 -2.16 0.00 0.00 0.00 174.94 174.28 1pux s PRO 58 N -0.50 4.36 -0.07 2.79 0.04 -1.26 -4.03 135.00 136.34 1pux s PRO 58 Ca -0.04 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 1pux s PRO 58 Cb -0.04 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 30.99 1pux s PRO 58 CO -0.00 -0.42 0.06 0.41 0.04 0.00 0.00 177.00 177.09 1pux n GLY 59 N 3.35 -3.59 2.19 0.56 0.00 -1.26 -4.89 105.19 101.55 1pux n GLY 59 Ca 0.11 0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 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 0.46 -1.73 -0.77 1.61 0.00 -1.26 -4.98 117.12 110.46 1pux n MET 60 Ca -0.10 1.64 -0.31 0.00 -0.00 0.00 0.00 57.70 58.94 1pux n MET 60 Cb 0.16 -3.54 0.11 0.00 0.00 0.00 0.00 33.22 29.95 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 0.13 -2.67 -0.52 6.12 5.68 -1.26 -4.84 116.55 119.20 1pux n ASP 61 Ca 0.02 -0.12 0.11 0.00 -0.50 0.00 0.00 54.79 54.30 1pux n ASP 61 Cb 0.08 -0.74 0.42 0.00 -1.14 0.00 0.00 41.12 39.75 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 2.67 0.18 0.35 6.12 0.00 -0.92 -4.09 105.19 109.49 1pux n GLY 62 Ca 0.00 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 2.17 0.78 0.04 -0.61 2.04 -1.88 0.30 117.51 120.35 1pux h ILE 63 Ca 0.00 -0.29 -0.19 0.00 1.00 0.00 0.00 64.86 65.38 1pux h ILE 63 Cb 0.47 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1pux h ILE 63 CO 0.00 0.15 -1.03 -0.33 0.00 0.00 0.00 178.15 176.94 1pux h GLU 64 N 0.83 0.07 -0.24 2.37 4.39 -1.94 -3.09 114.58 116.97 1pux h GLU 64 Ca 0.54 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 60.15 1pux h GLU 64 Cb 0.73 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.37 1pux h GLU 64 CO -0.34 1.06 -0.42 0.82 -1.16 0.00 0.00 179.01 178.98 1pux h ILE 65 N -0.78 0.00 -0.79 3.13 2.04 -1.64 1.41 117.51 120.88 1pux h ILE 65 Ca -0.26 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.72 1pux h ILE 65 Cb 1.38 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1pux h ILE 65 CO -0.08 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 178.52 1pux h LEU 66 N -0.34 0.57 0.52 1.44 -0.00 -0.61 0.42 115.31 117.30 1pux h LEU 66 Ca 0.04 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1pux h LEU 66 Cb 0.47 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1pux h LEU 66 CO -0.41 0.31 -0.25 0.11 -0.00 0.00 0.00 178.44 178.21 1pux h LYS 67 N 0.62 -0.67 -0.85 1.13 1.57 -0.25 -2.18 116.57 115.93 1pux h LYS 67 Ca 0.38 0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.38 1pux h LYS 67 Cb 0.63 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 1pux h LYS 67 CO -0.15 -0.45 0.56 0.00 -0.57 0.00 0.00 179.45 178.85 1pux h ARG 68 N -0.77 0.44 0.31 3.15 3.08 0.22 0.37 114.38 121.17 1pux h ARG 68 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1pux h ARG 68 Cb 0.53 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1pux h ARG 68 CO 0.12 0.29 -0.46 1.98 -1.07 0.00 0.00 179.97 180.83 1pux h MET 69 N 0.45 -0.79 -0.37 0.04 4.05 0.02 1.60 114.93 119.94 1pux h MET 69 Ca 0.43 0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.79 1pux h MET 69 Cb 1.00 0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1pux h MET 69 CO -0.16 -0.53 -0.22 1.57 0.23 0.00 0.00 176.91 177.80 1pux h LYS 70 N -0.82 0.80 -0.23 0.39 5.09 -0.70 0.11 116.57 121.21 1pux h LYS 70 Ca -0.02 -0.37 0.02 0.00 0.09 0.00 0.00 60.65 60.37 1pux h LYS 70 Cb 0.76 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 33.07 1pux h LYS 70 CO -0.15 1.00 0.16 0.28 -2.09 0.00 0.00 179.45 178.65 1pux h VAL 71 N 0.59 1.00 0.01 0.07 2.07 0.00 -2.35 116.25 117.64 1pux h VAL 71 Ca 0.08 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pux h VAL 71 Cb 0.78 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1pux h VAL 71 CO 0.06 0.04 -0.00 0.40 0.02 0.00 0.00 177.57 178.09 1pux h ILE 72 N 0.22 1.56 -3.24 4.57 1.08 0.27 -3.45 117.51 118.53 1pux h ILE 72 Ca 0.10 -2.02 -0.49 0.00 -0.39 0.00 0.00 64.86 62.06 1pux h ILE 72 Cb 0.12 2.88 -0.38 0.00 -3.07 0.00 0.00 36.82 36.37 1pux h ILE 72 CO -0.02 0.50 -0.78 1.51 -0.69 0.00 0.00 178.15 178.67 1pux s ASP 73 N -6.06 2.08 0.00 1.72 1.47 0.35 -4.98 116.67 111.25 1pux s ASP 73 Ca -0.17 -0.31 0.31 0.00 1.18 0.00 0.00 52.55 53.57 1pux s ASP 73 Cb -0.02 -0.64 1.71 0.00 -0.34 0.00 0.00 42.92 43.63 1pux s ASP 73 CO 0.63 -0.18 2.12 -1.84 0.68 0.00 0.00 175.17 176.57 1pux n GLU 74 N 5.04 1.15 0.00 2.11 0.28 -1.09 -2.68 120.64 125.44 1pux n GLU 74 Ca -0.10 -0.22 0.09 0.00 -0.16 0.00 0.00 57.16 56.77 1pux n GLU 74 Cb 0.49 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.81 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 -0.73 1.33 -4.77 -1.84 5.15 -1.26 -4.96 115.26 108.18 1pux n ASN 75 Ca 0.23 -1.16 -0.41 0.00 -0.60 0.00 0.00 54.58 52.63 1pux n ASN 75 Cb 0.17 0.76 -0.01 0.00 -0.53 0.00 0.00 39.78 40.16 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 -2.51 2.31 -0.25 -1.44 2.07 -1.09 -4.99 121.20 115.28 1pux s ILE 76 Ca 0.11 0.29 0.02 0.00 -1.41 0.00 0.00 60.65 59.67 1pux s ILE 76 Cb 0.15 -3.19 0.06 0.00 0.13 0.00 0.00 42.46 39.61 1pux s ILE 76 CO 0.64 0.06 -0.09 -0.60 -1.91 0.00 0.00 174.94 173.04 1pux s ARG 77 N -1.46 2.08 0.03 3.50 3.52 -1.26 -4.92 118.95 120.43 1pux s ARG 77 Ca 0.55 -1.25 -0.05 0.00 -0.13 0.00 0.00 55.73 54.84 1pux s ARG 77 Cb -0.44 -2.81 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1pux s ARG 77 CO 0.55 -0.58 0.09 0.54 -0.81 0.00 0.00 175.30 175.09 1pux s VAL 78 N 1.18 0.12 -0.02 7.11 0.11 -1.26 -3.36 120.40 124.29 1pux s VAL 78 Ca -0.08 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 1pux s VAL 78 Cb -0.20 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1pux s VAL 78 CO -0.05 -0.56 -0.10 -0.63 -3.33 0.00 0.00 175.10 170.43 1pux s ILE 79 N -2.29 3.42 0.11 7.04 -1.09 -0.36 -3.64 121.20 124.40 1pux s ILE 79 Ca -0.08 -0.76 0.06 0.00 -2.23 0.00 0.00 60.65 57.64 1pux s ILE 79 Cb -0.03 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 1pux s ILE 79 CO -0.03 0.47 -0.02 0.27 -1.23 0.00 0.00 174.94 174.40 1pux s ILE 80 N -0.89 3.82 -0.05 2.92 -5.25 -1.24 -1.33 121.20 119.18 1pux s ILE 80 Ca 0.15 -1.13 -0.02 0.00 -0.99 0.00 0.00 60.65 58.65 1pux s ILE 80 Cb -0.11 -2.84 0.04 0.00 2.95 0.00 0.00 42.46 42.50 1pux s ILE 80 CO 0.05 0.07 0.10 0.00 -1.79 0.00 0.00 174.94 173.36 1pux s MET 81 N -2.42 0.00 -0.17 0.37 0.23 -1.20 -2.26 119.30 113.86 1pux s MET 81 Ca 0.25 0.37 -0.30 0.00 -1.03 0.00 0.00 55.69 54.98 1pux s MET 81 Cb -0.11 -0.30 0.14 0.00 -1.53 0.00 0.00 34.83 33.02 1pux s MET 81 CO 0.17 -0.24 1.07 -0.08 -2.03 0.00 0.00 175.02 173.92 1pux s THR 82 N 1.66 0.00 0.86 3.16 -1.32 -0.77 -3.51 115.64 115.72 1pux s THR 82 Ca -0.03 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.32 1pux s THR 82 Cb -0.12 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1pux s THR 82 CO -0.04 0.00 0.75 0.00 -2.21 0.00 0.00 174.62 173.11 1pux n ALA 83 N 0.47 -1.42 0.00 11.08 0.00 -1.26 -2.88 120.51 126.49 1pux n ALA 83 Ca -0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 1pux n ALA 83 Cb 0.59 -1.98 0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -3.33 0.62 -0.09 0.00 0.18 -1.26 -3.80 117.16 109.49 1pux n TYR 84 Ca 0.10 -1.06 -0.20 0.00 1.88 0.00 0.00 57.90 58.63 1pux n TYR 84 Cb 0.52 -0.53 -0.12 0.00 -0.38 0.00 0.00 39.34 38.83 1pux n TYR 84 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1pux n GLY 85 N 0.57 -0.44 2.75 -7.48 0.00 -1.26 -4.43 105.19 94.90 1pux n GLY 85 Ca 0.12 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.40 2.82 -0.36 1.61 0.28 -1.25 -4.73 120.64 115.61 1pux n GLU 86 Ca -0.42 -3.58 0.26 0.00 -0.16 0.00 0.00 57.16 53.27 1pux n GLU 86 Cb 1.00 -2.27 0.52 0.00 1.43 0.00 0.00 31.44 32.11 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 2.75 0.45 -1.51 -1.84 3.38 -1.82 1.43 115.31 118.15 1pux h LEU 87 Ca 0.55 0.14 0.23 0.00 0.09 0.00 0.00 57.88 58.89 1pux h LEU 87 Cb 0.29 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1pux h LEU 87 CO 1.40 -0.07 0.88 -0.78 0.09 0.00 0.00 178.44 179.97 1pux h ASP 88 N 0.31 0.00 0.00 -0.43 3.58 -1.97 0.66 116.42 118.57 1pux h ASP 88 Ca 0.71 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 58.01 1pux h ASP 88 Cb 1.81 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.83 1pux h ASP 88 CO -0.46 0.00 -1.05 0.80 -2.88 0.00 0.00 179.24 175.64 1pux n MET 89 N -3.48 0.52 -0.32 0.28 1.56 0.49 -3.96 117.12 112.20 1pux n MET 89 Ca 0.17 0.53 0.16 0.00 -0.27 0.00 0.00 57.70 58.29 1pux n MET 89 Cb 1.15 -1.70 0.39 0.00 2.15 0.00 0.00 33.22 35.20 1pux n MET 89 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1pux h ILE 90 N -1.00 0.67 0.04 1.12 2.04 -0.75 -1.22 117.51 118.40 1pux h ILE 90 Ca -0.23 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1pux h ILE 90 Cb 1.02 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1pux h ILE 90 CO -0.14 0.11 -0.08 0.06 0.00 0.00 0.00 178.15 178.10 1pux h GLN 91 N 0.63 -0.13 -1.04 2.37 -0.00 0.04 -1.28 115.11 115.70 1pux h GLN 91 Ca 0.56 0.01 0.27 0.00 -0.00 0.00 0.00 58.65 59.49 1pux h GLN 91 Cb 1.05 0.03 -0.09 0.00 -0.00 0.00 0.00 27.48 28.47 1pux h GLN 91 CO -0.32 -0.09 0.68 0.93 -0.00 0.00 0.00 178.83 180.03 1pux h GLU 92 N -0.13 0.36 -0.85 0.06 5.08 -1.54 0.50 114.58 118.07 1pux h GLU 92 Ca -0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1pux h GLU 92 Cb 0.13 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1pux h GLU 92 CO -0.04 0.24 0.49 0.66 -1.00 0.00 0.00 179.01 179.37 1pux h SER 93 N 0.37 0.71 0.34 1.42 4.64 -0.24 1.56 113.55 122.34 1pux h SER 93 Ca 0.59 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.95 1pux h SER 93 Cb 1.54 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1pux h SER 93 CO -0.29 0.40 -0.16 0.50 -0.87 0.00 0.00 176.83 176.41 1pux h LYS 94 N 0.82 -0.43 0.00 4.77 3.11 0.11 -2.24 116.57 122.70 1pux h LYS 94 Ca 0.41 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1pux h LYS 94 Cb 0.38 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1pux h LYS 94 CO -0.25 -0.13 0.00 -0.85 -2.81 0.00 0.00 179.45 175.41 1pux n GLU 95 N -5.16 0.11 0.21 1.90 -0.00 -0.88 -0.98 120.64 115.85 1pux n GLU 95 Ca -0.10 0.46 0.14 0.00 -0.00 0.00 0.00 57.16 57.66 1pux n GLU 95 Cb 0.27 -1.77 0.47 0.00 -0.00 0.00 0.00 31.44 30.41 1pux n GLU 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1pux h LEU 96 N 0.00 0.00 0.00 -1.84 4.07 0.27 -3.46 115.31 114.35 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 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 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 0.50 1.39 3.74 0.83 0.00 -0.16 -4.69 105.19 106.79 1pux n GLY 97 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.36 0.16 4.61 0.00 -0.88 -4.84 121.76 122.16 1pux s ALA 98 Ca 0.00 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 52.54 1pux s ALA 98 Cb 0.00 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.87 1pux s ALA 98 CO 0.00 -0.15 1.64 -0.07 0.00 0.00 0.00 175.76 177.18 1pux h LEU 99 N 5.00 -0.60 -7.77 0.00 -0.00 -1.89 -3.44 115.31 106.60 1pux h LEU 99 Ca -0.44 0.14 0.10 0.00 -0.00 0.00 0.00 57.88 57.67 1pux h LEU 99 Cb 1.21 0.32 -0.07 0.00 -0.00 0.00 0.00 40.66 42.13 1pux h LEU 99 CO 0.72 -0.21 0.32 0.28 -0.00 0.00 0.00 178.44 179.54 1pux s THR 100 N -6.15 0.00 -0.10 0.22 -1.32 -1.26 -5.11 115.64 101.92 1pux s THR 100 Ca -0.14 -0.77 0.02 0.00 -1.21 0.00 0.00 61.69 59.58 1pux s THR 100 Cb 0.14 -1.88 0.02 0.00 -1.51 0.00 0.00 72.50 69.26 1pux s THR 100 CO 0.70 0.00 -0.13 -1.38 -2.21 0.00 0.00 174.62 171.59 1pux s HIS 101 N -3.67 1.79 0.18 9.09 -3.43 -1.26 -3.58 115.29 114.41 1pux s HIS 101 Ca 0.10 -0.82 0.05 0.00 -0.80 0.00 0.00 55.06 53.60 1pux s HIS 101 Cb -0.04 -1.32 -0.04 0.00 -1.43 0.00 0.00 32.58 29.75 1pux s HIS 101 CO 0.03 -0.44 0.15 -0.06 -2.00 0.00 0.00 174.74 172.43 1pux s PHE 102 N 1.02 3.14 0.03 0.38 0.08 -0.96 -5.05 117.98 116.62 1pux s PHE 102 Ca -0.07 -0.04 -0.02 0.00 0.12 0.00 0.00 56.93 56.92 1pux s PHE 102 Cb -0.15 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1pux s PHE 102 CO -0.01 0.52 0.21 0.00 -0.10 0.00 0.00 175.22 175.84 1pux s ALA 103 N -1.84 3.96 0.04 5.36 0.00 -1.25 -1.84 121.76 126.18 1pux s ALA 103 Ca 0.31 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 1pux s ALA 103 Cb -0.10 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 1pux s ALA 103 CO 0.24 0.76 0.36 1.63 0.00 0.00 0.00 175.76 178.75 1pux n LYS 104 N 0.67 -0.10 -2.31 0.00 5.02 -1.14 -2.24 118.16 118.05 1pux n LYS 104 Ca -0.08 0.35 -0.34 0.00 -2.02 0.00 0.00 58.31 56.22 1pux n LYS 104 Cb 0.52 -0.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 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 -5.12 3.10 0.14 1.97 0.04 -1.26 -4.93 135.00 128.95 1pux s PRO 105 Ca -0.03 -0.81 0.07 0.00 0.04 0.00 0.00 61.00 60.27 1pux s PRO 105 Cb 0.03 -5.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.29 1pux s PRO 105 CO 0.15 -2.81 -0.16 -0.59 0.04 0.00 0.00 177.00 173.63 1pux s PHE 106 N 7.47 1.57 0.01 0.56 -0.12 -0.95 -5.14 117.98 121.38 1pux s PHE 106 Ca 0.58 -0.53 0.05 0.00 -0.05 0.00 0.00 56.93 56.98 1pux s PHE 106 Cb -0.03 -0.80 -0.03 0.00 -0.63 0.00 0.00 43.02 41.53 1pux s PHE 106 CO -0.04 0.22 -0.13 0.34 -0.05 0.00 0.00 175.22 175.57 1pux s ASP 107 N -2.60 4.16 0.15 1.98 -1.08 -1.26 -5.02 116.67 113.00 1pux s ASP 107 Ca 0.12 -0.27 -0.10 0.00 -0.52 0.00 0.00 52.55 51.78 1pux s ASP 107 Cb -0.05 -0.84 -0.02 0.00 -1.46 0.00 0.00 42.92 40.55 1pux s ASP 107 CO 0.04 0.28 1.49 0.40 0.52 0.00 0.00 175.17 177.91 1pux h ILE 108 N 3.94 1.27 -0.60 4.11 1.08 -2.01 -1.74 117.51 123.56 1pux h ILE 108 Ca -0.48 -1.54 0.06 0.00 -0.39 0.00 0.00 64.86 62.52 1pux h ILE 108 Cb 1.16 1.36 -0.06 0.00 -3.07 0.00 0.00 36.82 36.21 1pux h ILE 108 CO 0.50 0.52 0.30 -0.78 -0.69 0.00 0.00 178.15 178.00 1pux h ASP 109 N 0.77 0.41 0.80 1.72 1.82 -1.99 0.25 116.42 120.19 1pux h ASP 109 Ca 0.07 0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1pux h ASP 109 Cb 0.96 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.93 1pux h ASP 109 CO 0.09 0.26 -0.21 1.05 -1.61 0.00 0.00 179.24 178.83 1pux h GLU 110 N 0.55 0.00 0.00 0.28 4.11 -1.95 -1.95 114.58 115.62 1pux h GLU 110 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.69 1pux h GLU 110 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1pux h GLU 110 CO -0.21 0.21 -0.06 0.82 0.07 0.00 0.00 179.01 179.84 1pux h ILE 111 N 0.00 0.10 0.00 -1.06 2.04 0.19 -3.00 117.51 115.78 1pux h ILE 111 Ca -0.00 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1pux h ILE 111 Cb 0.66 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1pux h ILE 111 CO 0.03 0.06 0.00 0.03 0.00 0.00 0.00 178.15 178.26 1pux h ARG 112 N 0.00 0.00 0.03 2.37 3.08 0.17 -1.40 114.38 118.64 1pux h ARG 112 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1pux h ARG 112 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.08 1pux h ARG 112 CO 0.01 0.00 -0.64 0.22 -1.07 0.00 0.00 179.97 178.49 1pux h ASP 113 N 0.00 0.50 -0.42 7.04 3.58 -1.54 0.29 116.42 125.87 1pux h ASP 113 Ca 0.00 -0.81 -0.15 0.00 0.42 0.00 0.00 57.03 56.49 1pux h ASP 113 Cb 0.65 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1pux h ASP 113 CO 0.00 1.25 -0.31 0.00 -2.88 0.00 0.00 179.24 177.30 1pux h ALA 114 N 0.26 0.63 -0.08 -0.78 0.00 -1.60 0.44 119.26 118.13 1pux h ALA 114 Ca -0.09 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1pux h ALA 114 Cb 1.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1pux h ALA 114 CO 0.12 0.68 -0.66 0.28 0.00 0.00 0.00 179.25 179.67 1pux h VAL 115 N 0.81 1.39 0.00 0.00 2.07 -1.32 0.41 116.25 119.61 1pux h VAL 115 Ca 0.08 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.54 1pux h VAL 115 Cb 0.90 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1pux h VAL 115 CO 0.08 0.62 0.00 0.50 0.02 0.00 0.00 177.57 178.79 1pux h LYS 116 N 0.23 0.00 0.04 1.57 3.64 -0.20 1.89 116.57 123.74 1pux h LYS 116 Ca -0.02 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.04 1pux h LYS 116 Cb 1.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1pux h LYS 116 CO 0.11 0.00 -1.85 1.63 -2.27 0.00 0.00 179.45 177.07 1pux n LYS 117 N -2.95 0.67 -0.09 1.90 5.02 0.15 -4.45 118.16 118.42 1pux n LYS 117 Ca 0.04 0.27 -0.23 0.00 -2.02 0.00 0.00 58.31 56.37 1pux n LYS 117 Cb 0.48 -1.75 -0.12 0.00 -0.02 0.00 0.00 35.03 33.62 1pux n LYS 117 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1pux n TYR 118 N -3.16 0.65 -4.25 2.13 4.19 0.14 -4.99 117.16 111.87 1pux n TYR 118 Ca -0.23 0.20 -0.23 0.00 3.31 0.00 0.00 57.90 60.95 1pux n TYR 118 Cb 1.06 -1.08 -0.07 0.00 0.49 0.00 0.00 39.34 39.74 1pux n TYR 118 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1pux s LEU 119 N -7.25 3.17 -1.11 2.98 2.01 0.64 -5.01 118.68 114.12 1pux s LEU 119 Ca -0.30 -0.74 -0.07 0.00 0.01 0.00 0.00 54.13 53.03 1pux s LEU 119 Cb 0.09 -1.66 -0.08 0.00 0.01 0.00 0.00 46.19 44.55 1pux s LEU 119 CO 0.62 -0.11 2.51 -0.81 1.01 0.00 0.00 176.35 179.58 1pux n PRO 120 N -0.97 2.66 -2.52 1.29 -0.04 -1.26 -3.55 135.00 130.62 1pux n PRO 120 Ca -0.05 -1.68 -0.25 0.00 -0.04 0.00 0.00 63.50 61.48 1pux n PRO 120 Cb 0.60 -2.53 0.03 0.00 -0.04 0.00 0.00 33.50 31.56 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 0.12 3.28 -0.28 1.53 2.96 -1.25 -4.59 118.68 120.45 1pux s LEU 121 Ca 0.52 0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 54.72 1pux s LEU 121 Cb 0.14 -3.36 0.04 0.00 0.50 0.00 0.00 46.19 43.51 1pux s LEU 121 CO -0.04 -1.05 0.41 1.17 -1.32 0.00 0.00 176.35 175.52 1pux n LYS 122 N -2.49 -1.25 -1.71 1.98 4.81 -1.26 -4.62 118.16 113.62 1pux n LYS 122 Ca 0.04 1.07 -0.39 0.00 -0.87 0.00 0.00 58.31 58.17 1pux n LYS 122 Cb 0.58 -1.48 -0.03 0.00 0.02 0.00 0.00 35.03 34.12 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 -1.16 4.97 0.00 3.14 1.04 -1.26 -5.05 113.70 115.38 1pux s SER 123 Ca 0.24 1.14 0.25 0.00 0.48 0.00 0.00 55.95 58.06 1pux s SER 123 Cb -0.02 -2.51 0.46 0.00 0.10 0.00 0.00 66.02 64.04 1pux s SER 123 CO 0.54 -2.46 1.41 -3.20 0.98 0.00 0.00 173.24 170.51