#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 -0.53 -3.67 0.03 0.00 -1.26 -5.00 117.12 106.70 1pux n MET 2 Ca 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 57.70 58.47 1pux n MET 2 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 33.22 32.36 1pux n MET 2 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1pux s ASN 3 N -0.63 -0.27 -0.27 7.83 -0.87 -1.26 -5.16 114.94 114.32 1pux s ASN 3 Ca 0.00 -0.28 -0.31 0.00 -1.57 0.00 0.00 52.86 50.70 1pux s ASN 3 Cb 0.00 0.49 0.18 0.00 -0.02 0.00 0.00 41.25 41.90 1pux s ASN 3 CO 0.00 -0.88 1.32 -0.70 -2.57 0.00 0.00 177.10 174.27 1pux s GLU 4 N -3.35 0.12 0.01 -0.60 2.12 -1.26 -5.12 118.70 110.62 1pux s GLU 4 Ca 0.09 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.41 1pux s GLU 4 Cb -0.02 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.42 1pux s GLU 4 CO -0.02 -0.04 0.02 0.15 -0.54 0.00 0.00 175.26 174.83 1pux s LYS 5 N -1.35 0.31 -0.22 4.30 3.01 -1.26 -2.26 119.74 122.26 1pux s LYS 5 Ca 0.09 -0.45 -0.13 0.00 -1.01 0.00 0.00 55.97 54.46 1pux s LYS 5 Cb -0.01 0.12 0.07 0.00 -1.01 0.00 0.00 37.83 37.00 1pux s LYS 5 CO -0.06 -0.06 0.55 0.42 0.51 0.00 0.00 175.35 176.71 1pux s ILE 6 N -1.20 -0.01 -0.04 2.17 1.01 -1.01 -1.70 121.20 120.41 1pux s ILE 6 Ca -0.13 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1pux s ILE 6 Cb -0.08 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1pux s ILE 6 CO -0.00 0.02 -0.00 -0.22 0.00 0.00 0.00 174.94 174.73 1pux s LEU 7 N 1.42 3.53 -0.30 2.97 2.96 0.06 -2.96 118.68 126.36 1pux s LEU 7 Ca -0.09 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1pux s LEU 7 Cb -0.06 -1.92 0.08 0.00 0.50 0.00 0.00 46.19 44.79 1pux s LEU 7 CO -0.15 0.33 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.56 1pux s ILE 8 N -0.98 2.37 -0.19 6.68 1.01 0.14 -0.82 121.20 129.40 1pux s ILE 8 Ca 0.16 -1.91 -0.08 0.00 0.00 0.00 0.00 60.65 58.83 1pux s ILE 8 Cb -0.11 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1pux s ILE 8 CO 0.06 -0.29 0.08 -0.69 0.00 0.00 0.00 174.94 174.10 1pux s VAL 9 N 1.04 4.90 0.00 2.92 1.01 0.25 -1.98 120.40 128.54 1pux s VAL 9 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1pux s VAL 9 Cb -0.20 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1pux s VAL 9 CO -0.06 0.45 0.00 -0.67 0.00 0.00 0.00 175.10 174.82 1pux n ASP 10 N 3.63 -0.75 0.00 3.32 2.03 -0.95 -3.71 116.55 120.12 1pux n ASP 10 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1pux n ASP 10 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1pux n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1pux n ASP 11 N -3.84 -4.99 -4.62 1.67 2.03 -1.26 -4.78 116.55 100.76 1pux n ASP 11 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1pux n ASP 11 Cb 0.00 -2.87 -0.02 0.00 -0.72 0.00 0.00 41.12 37.51 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 -1.56 3.82 0.00 -0.67 -2.07 -1.26 -4.49 119.66 113.43 1pux s GLN 12 Ca 0.00 1.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.60 1pux s GLN 12 Cb 0.00 -3.90 0.00 0.00 -1.09 0.00 0.00 33.01 28.02 1pux s GLN 12 CO 0.00 -1.24 0.91 0.98 -1.32 0.00 0.00 175.29 174.61 1pux n TYR 13 N 7.87 0.00 0.00 9.60 4.19 -1.26 -4.95 117.16 132.61 1pux n TYR 13 Ca 0.14 -0.42 0.00 0.00 3.31 0.00 0.00 57.90 60.93 1pux n TYR 13 Cb 0.47 0.46 0.00 0.00 0.49 0.00 0.00 39.34 40.76 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 0.00 0.56 0.14 2.98 0.00 -1.26 -4.93 105.19 102.67 1pux n GLY 14 Ca -0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1pux n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pux n ILE 15 N -1.31 1.76 -0.33 -0.61 -0.00 -1.26 -3.71 119.36 113.89 1pux n ILE 15 Ca 0.00 -0.62 0.18 0.00 -0.00 0.00 0.00 62.75 62.32 1pux n ILE 15 Cb 0.00 -1.74 0.43 0.00 -0.00 0.00 0.00 39.64 38.33 1pux n ILE 15 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1pux h ARG 16 N 0.00 0.53 -0.08 0.38 0.11 -1.92 0.13 114.38 113.54 1pux h ARG 16 Ca -0.43 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.60 1pux h ARG 16 Cb 1.99 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 32.94 1pux h ARG 16 CO 0.06 0.35 -0.03 0.82 0.10 0.00 0.00 179.97 181.28 1pux h ILE 17 N 0.55 1.30 -0.76 0.08 2.04 -1.97 0.37 117.51 119.12 1pux h ILE 17 Ca 0.58 -0.98 0.12 0.00 1.00 0.00 0.00 64.86 65.58 1pux h ILE 17 Cb 1.21 1.79 -0.13 0.00 -0.74 0.00 0.00 36.82 38.95 1pux h ILE 17 CO -0.34 0.27 -0.38 0.25 0.00 0.00 0.00 178.15 177.96 1pux h LEU 18 N -0.18 -1.34 -0.68 1.44 5.85 -0.84 1.36 115.31 120.92 1pux h LEU 18 Ca 0.02 0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 1pux h LEU 18 Cb 0.45 0.67 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1pux h LEU 18 CO 0.01 -0.30 -0.34 0.17 -0.34 0.00 0.00 178.44 177.64 1pux h LEU 19 N -0.10 0.00 0.36 2.25 -0.00 -1.35 -3.06 115.31 113.41 1pux h LEU 19 Ca 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.13 1pux h LEU 19 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1pux h LEU 19 CO -0.81 0.34 -0.17 -1.13 -0.00 0.00 0.00 178.44 176.67 1pux h ASN 20 N 0.00 -0.41 -0.67 0.17 -1.24 0.58 -2.12 115.58 111.89 1pux h ASN 20 Ca -0.00 -0.02 0.06 0.00 0.71 0.00 0.00 56.30 57.05 1pux h ASN 20 Cb 0.99 0.11 -0.04 0.00 0.73 0.00 0.00 38.32 40.11 1pux h ASN 20 CO 0.04 -0.25 0.44 -0.08 -1.29 0.00 0.00 177.43 176.30 1pux h GLU 21 N -0.54 0.67 -0.31 6.67 4.81 0.29 1.99 114.58 128.15 1pux h GLU 21 Ca -0.05 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1pux h GLU 21 Cb 0.41 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1pux h GLU 21 CO 0.08 0.44 0.04 0.28 -0.73 0.00 0.00 179.01 179.13 1pux h VAL 22 N 0.69 0.82 0.00 0.32 2.07 -1.33 0.63 116.25 119.45 1pux h VAL 22 Ca 0.29 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.69 1pux h VAL 22 Cb 0.25 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1pux h VAL 22 CO -0.09 0.03 -0.40 -0.26 0.02 0.00 0.00 177.57 176.86 1pux h PHE 23 N 0.15 0.00 -0.02 1.57 0.04 -0.63 -3.30 116.94 114.75 1pux h PHE 23 Ca 0.15 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.92 1pux h PHE 23 Cb 0.17 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 1pux h PHE 23 CO -0.19 0.89 0.32 -0.97 -0.60 0.00 0.00 178.31 177.77 1pux h ASN 24 N -1.00 0.00 -0.91 2.17 -1.24 0.31 0.19 115.58 115.10 1pux h ASN 24 Ca -0.10 0.00 0.26 0.00 0.71 0.00 0.00 56.30 57.17 1pux h ASN 24 Cb 0.89 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.90 1pux h ASN 24 CO -0.06 0.00 0.87 0.11 -1.29 0.00 0.00 177.43 177.06 1pux h LYS 25 N 0.00 0.00 0.00 6.67 1.57 0.21 0.41 116.57 125.43 1pux h LYS 25 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1pux h LYS 25 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1pux h LYS 25 CO -0.00 0.00 -1.46 -1.91 -0.57 0.00 0.00 179.45 175.51 1pux n GLU 26 N -3.67 1.17 0.00 3.15 2.13 0.04 -5.02 120.64 118.45 1pux n GLU 26 Ca 0.20 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1pux n GLU 26 Cb 1.17 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.67 1pux n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pux n GLY 27 N 2.19 1.67 3.75 8.31 0.00 0.14 -5.09 105.19 116.16 1pux n GLY 27 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1pux n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pux s TYR 28 N -2.00 2.34 -0.63 1.61 2.02 -1.22 -4.89 117.35 114.58 1pux s TYR 28 Ca 0.00 1.50 -0.27 0.00 -0.37 0.00 0.00 57.07 57.94 1pux s TYR 28 Cb 0.00 -3.53 -0.01 0.00 -0.40 0.00 0.00 41.96 38.02 1pux s TYR 28 CO 0.00 -2.35 1.73 -0.65 -1.57 0.00 0.00 175.55 172.70 1pux s GLN 29 N -3.30 2.78 0.14 -0.62 -0.21 -0.96 -4.72 119.66 112.77 1pux s GLN 29 Ca 0.78 0.46 0.09 0.00 0.02 0.00 0.00 55.36 56.71 1pux s GLN 29 Cb -0.32 -4.33 -0.04 0.00 1.00 0.00 0.00 33.01 29.32 1pux s GLN 29 CO 0.35 -2.56 -0.22 0.95 -2.12 0.00 0.00 175.29 171.69 1pux s THR 30 N 8.24 1.93 0.12 -0.19 -4.23 -1.26 -2.41 115.64 117.85 1pux s THR 30 Ca 0.60 -1.75 -0.06 0.00 -1.18 0.00 0.00 61.69 59.31 1pux s THR 30 Cb -0.12 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 1pux s THR 30 CO 0.20 -0.11 0.17 0.12 -0.54 0.00 0.00 174.62 174.46 1pux s PHE 31 N -1.45 0.46 0.20 3.99 2.19 -1.15 -5.00 117.98 117.22 1pux s PHE 31 Ca 0.12 -0.87 0.11 0.00 0.33 0.00 0.00 56.93 56.63 1pux s PHE 31 Cb -0.09 -0.20 -0.04 0.00 -1.31 0.00 0.00 43.02 41.38 1pux s PHE 31 CO 0.06 -0.59 -0.23 -0.65 1.83 0.00 0.00 175.22 175.63 1pux s GLN 32 N -3.96 1.52 0.16 10.12 -1.52 -1.26 0.24 119.66 124.97 1pux s GLN 32 Ca 0.15 -1.54 -0.01 0.00 -1.95 0.00 0.00 55.36 52.00 1pux s GLN 32 Cb 0.05 -1.82 -0.04 0.00 -0.22 0.00 0.00 33.01 30.99 1pux s GLN 32 CO -0.03 0.39 0.10 0.00 -0.25 0.00 0.00 175.29 175.49 1pux s ALA 33 N -1.76 0.96 -0.33 6.09 0.00 -0.84 -4.95 121.76 120.94 1pux s ALA 33 Ca 0.21 -1.55 0.11 0.00 0.00 0.00 0.00 51.96 50.73 1pux s ALA 33 Cb -0.08 1.09 0.46 0.00 0.00 0.00 0.00 23.12 24.59 1pux s ALA 33 CO 0.10 -0.54 1.13 0.00 0.00 0.00 0.00 175.76 176.45 1pux n ALA 34 N -0.17 4.36 0.00 0.00 0.00 -1.26 -2.25 120.51 121.19 1pux n ALA 34 Ca -0.02 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1pux n ALA 34 Cb 0.65 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.55 0.00 -0.01 0.00 4.13 -1.26 -4.96 115.26 112.61 1pux n ASN 35 Ca 0.31 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.37 1pux n ASN 35 Cb 0.84 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.94 1pux n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pux n GLY 36 N -0.36 -0.55 0.30 7.41 0.00 -1.26 -3.71 105.19 107.02 1pux n GLY 36 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1pux n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pux h LEU 37 N 0.06 -0.60 -1.90 0.99 6.46 -1.98 0.16 115.31 118.50 1pux h LEU 37 Ca -0.43 -0.05 0.14 0.00 -0.12 0.00 0.00 57.88 57.41 1pux h LEU 37 Cb 2.02 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 42.09 1pux h LEU 37 CO 0.07 -0.30 0.51 1.56 -0.62 0.00 0.00 178.44 179.67 1pux h GLN 38 N -0.90 0.00 0.00 1.25 4.20 -1.93 1.22 115.11 118.95 1pux h GLN 38 Ca -0.07 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 1pux h GLN 38 Cb 0.61 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1pux h GLN 38 CO 0.12 0.00 -1.19 0.00 -0.67 0.00 0.00 178.83 177.09 1pux h ALA 39 N 1.42 0.60 -0.76 3.87 0.00 -1.50 -2.70 119.26 120.19 1pux h ALA 39 Ca 0.23 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 1pux h ALA 39 Cb 1.25 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1pux h ALA 39 CO -0.00 1.14 0.29 -0.07 0.00 0.00 0.00 179.25 180.61 1pux h LEU 40 N 0.00 1.06 0.10 0.00 3.38 0.44 1.29 115.31 121.58 1pux h LEU 40 Ca -0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pux h LEU 40 Cb 1.72 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1pux h LEU 40 CO 0.08 0.95 -0.05 -0.78 0.09 0.00 0.00 178.44 178.73 1pux h ASP 41 N 1.10 -0.11 0.11 -0.43 1.82 -1.43 -3.13 116.42 114.35 1pux h ASP 41 Ca 0.25 -0.47 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 1pux h ASP 41 Cb 0.23 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 1pux h ASP 41 CO -0.02 0.50 -0.03 0.40 -1.61 0.00 0.00 179.24 178.49 1pux h ILE 42 N -0.84 0.44 0.15 2.25 1.08 -1.40 -0.04 117.51 119.14 1pux h ILE 42 Ca -0.01 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1pux h ILE 42 Cb 0.57 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 1pux h ILE 42 CO 0.02 0.03 -0.39 0.58 -0.69 0.00 0.00 178.15 177.70 1pux h VAL 43 N 0.00 0.20 0.04 1.67 2.07 0.17 1.00 116.25 121.40 1pux h VAL 43 Ca -0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 1pux h VAL 43 Cb 0.09 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1pux h VAL 43 CO 0.00 0.00 -1.04 0.74 0.02 0.00 0.00 177.57 177.30 1pux h THR 44 N -0.64 1.42 -0.92 2.57 2.02 -1.49 1.19 112.91 117.05 1pux h THR 44 Ca 0.02 -2.60 0.06 0.00 0.77 0.00 0.00 66.41 64.65 1pux h THR 44 Cb 0.66 2.57 -0.06 0.00 -1.74 0.00 0.00 68.15 69.58 1pux h THR 44 CO -0.21 0.77 0.59 0.50 0.37 0.00 0.00 175.52 177.54 1pux h LYS 45 N 0.19 1.06 -0.01 6.66 3.64 -0.68 -1.80 116.57 125.63 1pux h LYS 45 Ca -0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1pux h LYS 45 Cb 1.70 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1pux h LYS 45 CO 0.18 0.70 -0.45 0.39 -2.27 0.00 0.00 179.45 178.00 1pux n GLU 46 N -4.55 1.41 -3.71 1.90 -0.58 0.34 -4.99 120.64 110.46 1pux n GLU 46 Ca 0.13 -0.82 -0.10 0.00 -0.42 0.00 0.00 57.16 55.95 1pux n GLU 46 Cb 0.15 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 -0.20 -0.83 -1.85 3.49 1.85 0.41 -4.80 116.66 114.73 1pux n ARG 47 Ca 0.08 -0.36 -0.32 0.00 -1.00 0.00 0.00 57.85 56.25 1pux n ARG 47 Cb 0.39 0.18 0.03 0.00 -1.05 0.00 0.00 32.46 32.01 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 -5.27 3.19 0.00 2.89 0.04 -1.20 -4.89 135.00 129.76 1pux s PRO 48 Ca 0.10 1.07 0.28 0.00 0.04 0.00 0.00 61.00 62.49 1pux s PRO 48 Cb -0.05 -2.02 1.12 0.00 0.04 0.00 0.00 34.50 33.59 1pux s PRO 48 CO 0.20 -0.90 1.79 -3.47 0.04 0.00 0.00 177.00 174.66 1pux n ASP 49 N -2.50 0.99 -3.63 6.66 2.03 -0.69 -4.84 116.55 114.57 1pux n ASP 49 Ca 0.08 -1.10 -0.11 0.00 0.52 0.00 0.00 54.79 54.18 1pux n ASP 49 Cb 0.53 0.02 -0.07 0.00 -0.72 0.00 0.00 41.12 40.88 1pux n ASP 49 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1pux s LEU 50 N -2.22 -0.53 0.02 -2.67 1.98 -1.18 -4.83 118.68 109.25 1pux s LEU 50 Ca 0.34 0.98 0.02 0.00 -2.89 0.00 0.00 54.13 52.57 1pux s LEU 50 Cb 0.20 2.06 -0.01 0.00 0.66 0.00 0.00 46.19 49.10 1pux s LEU 50 CO 0.41 -0.21 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.91 1pux s VAL 51 N 0.10 0.41 -0.22 1.68 1.01 -1.23 -0.76 120.40 121.39 1pux s VAL 51 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1pux s VAL 51 Cb -0.04 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1pux s VAL 51 CO -0.03 -0.16 -0.14 -0.22 0.00 0.00 0.00 175.10 174.55 1pux s LEU 52 N -0.86 2.75 -0.02 3.92 0.20 -0.00 -1.57 118.68 123.10 1pux s LEU 52 Ca -0.05 -0.88 0.05 0.00 0.69 0.00 0.00 54.13 53.94 1pux s LEU 52 Cb -0.06 -1.55 -0.01 0.00 -0.43 0.00 0.00 46.19 44.14 1pux s LEU 52 CO 0.00 -0.08 -0.18 -0.22 -0.29 0.00 0.00 176.35 175.59 1pux s LEU 53 N 1.26 2.01 -0.11 -0.68 1.98 -1.06 0.84 118.68 122.91 1pux s LEU 53 Ca 0.00 -0.33 -0.10 0.00 -2.89 0.00 0.00 54.13 50.81 1pux s LEU 53 Cb -0.16 -0.93 -0.05 0.00 0.66 0.00 0.00 46.19 45.72 1pux s LEU 53 CO -0.08 0.20 0.22 -0.62 -1.89 0.00 0.00 176.35 174.18 1pux s ASP 54 N -0.31 6.47 0.02 3.68 2.15 -1.24 -3.42 116.67 124.01 1pux s ASP 54 Ca 0.04 0.56 -0.12 0.00 0.43 0.00 0.00 52.55 53.46 1pux s ASP 54 Cb -0.08 -2.13 -0.06 0.00 -0.30 0.00 0.00 42.92 40.35 1pux s ASP 54 CO -0.00 0.31 1.18 0.24 -0.17 0.00 0.00 175.17 176.73 1pux h MET 55 N 5.40 -0.38 -6.19 4.34 2.86 -1.97 -3.41 114.93 115.57 1pux h MET 55 Ca -0.50 0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 56.59 1pux h MET 55 Cb 1.21 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.96 1pux h MET 55 CO 0.64 -0.25 1.32 1.17 1.06 0.00 0.00 176.91 180.84 1pux n LYS 56 N -3.17 2.34 -3.85 1.72 4.81 -1.26 -2.40 118.16 116.35 1pux n LYS 56 Ca -0.05 0.79 -0.11 0.00 -0.87 0.00 0.00 58.31 58.07 1pux n LYS 56 Cb 0.16 -3.00 -0.09 0.00 0.02 0.00 0.00 35.03 32.13 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 5.92 0.11 -0.03 3.15 1.01 -1.26 -4.93 121.20 125.16 1pux s ILE 57 Ca 0.95 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1pux s ILE 57 Cb -0.47 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1pux s ILE 57 CO 0.42 -0.48 1.21 -2.16 0.00 0.00 0.00 174.94 173.93 1pux s PRO 58 N -2.38 4.36 -0.01 2.79 0.04 -1.26 -4.26 135.00 134.28 1pux s PRO 58 Ca -0.07 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1pux s PRO 58 Cb -0.02 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1pux s PRO 58 CO -0.03 -0.42 0.03 0.41 0.04 0.00 0.00 177.00 177.03 1pux n GLY 59 N 3.36 -3.96 2.80 0.56 0.00 -1.26 -4.89 105.19 101.80 1pux n GLY 59 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.70 -3.22 -0.38 1.61 0.00 -1.26 -4.94 117.12 109.63 1pux n MET 60 Ca -0.05 2.56 -0.22 0.00 -0.00 0.00 0.00 57.70 59.99 1pux n MET 60 Cb 0.07 -3.68 0.21 0.00 0.00 0.00 0.00 33.22 29.83 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 1.74 -3.56 -0.15 6.12 5.68 -1.26 -4.85 116.55 120.27 1pux n ASP 61 Ca -0.21 -0.62 0.14 0.00 -0.50 0.00 0.00 54.79 53.59 1pux n ASP 61 Cb 0.37 -0.87 0.52 0.00 -1.14 0.00 0.00 41.12 40.01 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 2.21 -0.86 0.32 6.12 0.00 -1.01 -4.05 105.19 107.92 1pux n GLY 62 Ca 0.10 -0.31 0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 0.74 0.25 0.01 -0.61 1.08 -1.89 0.74 117.51 117.83 1pux h ILE 63 Ca 0.00 -0.08 -0.21 0.00 -0.39 0.00 0.00 64.86 64.18 1pux h ILE 63 Cb 0.41 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 1pux h ILE 63 CO 0.00 0.04 -1.16 -0.33 -0.69 0.00 0.00 178.15 176.01 1pux h GLU 64 N 0.22 0.03 -0.17 2.37 4.39 -1.94 -3.17 114.58 116.30 1pux h GLU 64 Ca 0.66 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.33 1pux h GLU 64 Cb 1.46 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.09 1pux h GLU 64 CO -0.67 1.02 -0.31 0.82 -1.16 0.00 0.00 179.01 178.72 1pux h ILE 65 N -0.90 0.00 -0.79 3.13 2.04 -1.44 1.76 117.51 121.31 1pux h ILE 65 Ca -0.31 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.73 1pux h ILE 65 Cb 1.34 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1pux h ILE 65 CO -0.15 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.46 1pux h LEU 66 N -0.26 0.31 0.42 1.44 -0.00 0.24 0.67 115.31 118.14 1pux h LEU 66 Ca 0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1pux h LEU 66 Cb 0.35 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1pux h LEU 66 CO -0.30 0.15 -0.20 0.11 -0.00 0.00 0.00 178.44 178.19 1pux h LYS 67 N 0.32 -0.55 -0.73 1.13 1.57 -0.19 -2.52 116.57 115.60 1pux h LYS 67 Ca 0.39 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.37 1pux h LYS 67 Cb 1.05 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 1pux h LYS 67 CO -0.11 -0.37 0.49 0.00 -0.57 0.00 0.00 179.45 178.90 1pux h ARG 68 N -0.76 0.31 0.32 3.15 3.08 0.31 0.51 114.38 121.29 1pux h ARG 68 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1pux h ARG 68 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1pux h ARG 68 CO 0.10 0.20 -0.37 1.98 -1.07 0.00 0.00 179.97 180.81 1pux h MET 69 N 0.32 -0.71 -0.21 0.04 4.05 0.41 1.46 114.93 120.29 1pux h MET 69 Ca 0.36 0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 59.64 1pux h MET 69 Cb 0.94 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1pux h MET 69 CO -0.10 -0.47 -0.58 1.57 0.23 0.00 0.00 176.91 177.56 1pux h LYS 70 N -0.73 0.76 0.00 0.39 5.09 -0.89 -2.78 116.57 118.41 1pux h LYS 70 Ca -0.02 -0.54 -0.00 0.00 0.09 0.00 0.00 60.65 60.18 1pux h LYS 70 Cb 0.68 0.09 -0.00 0.00 0.10 0.00 0.00 32.23 33.09 1pux h LYS 70 CO -0.10 1.16 -0.00 0.28 -2.09 0.00 0.00 179.45 178.70 1pux h VAL 71 N 0.49 0.99 -0.10 0.07 2.07 0.19 -1.64 116.25 118.33 1pux h VAL 71 Ca -0.01 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1pux h VAL 71 Cb 1.20 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1pux h VAL 71 CO 0.13 0.00 -0.04 0.40 0.02 0.00 0.00 177.57 178.08 1pux h ILE 72 N 0.00 1.31 -3.31 4.57 1.08 0.23 -3.47 117.51 117.92 1pux h ILE 72 Ca -0.00 -1.02 -0.07 0.00 -0.39 0.00 0.00 64.86 63.39 1pux h ILE 72 Cb 0.01 1.78 -0.15 0.00 -3.07 0.00 0.00 36.82 35.39 1pux h ILE 72 CO 0.00 0.29 -0.13 -1.81 -0.69 0.00 0.00 178.15 175.80 1pux s ASP 73 N -5.81 -0.20 -0.01 1.72 1.01 -0.62 -5.03 116.67 107.72 1pux s ASP 73 Ca -0.15 -0.23 0.17 0.00 0.71 0.00 0.00 52.55 53.05 1pux s ASP 73 Cb 0.04 0.43 0.50 0.00 1.01 0.00 0.00 42.92 44.90 1pux s ASP 73 CO 0.71 -0.75 1.42 -1.84 0.21 0.00 0.00 175.17 174.92 1pux n GLU 74 N 0.13 2.88 -0.00 8.23 0.28 -1.25 -4.14 120.64 126.76 1pux n GLU 74 Ca -0.17 -2.42 0.09 0.00 -0.16 0.00 0.00 57.16 54.51 1pux n GLU 74 Cb 0.62 -1.47 -0.12 0.00 1.43 0.00 0.00 31.44 31.90 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 1.04 0.82 -4.72 -1.84 5.15 -1.26 -4.93 115.26 109.53 1pux n ASN 75 Ca 0.19 -0.78 -0.42 0.00 -0.60 0.00 0.00 54.58 52.97 1pux n ASN 75 Cb 0.56 1.18 -0.03 0.00 -0.53 0.00 0.00 39.78 40.96 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 -2.96 3.89 -0.27 -1.44 2.07 -1.26 -5.01 121.20 116.22 1pux s ILE 76 Ca 0.05 1.40 0.01 0.00 -1.41 0.00 0.00 60.65 60.69 1pux s ILE 76 Cb 0.14 -3.89 0.05 0.00 0.13 0.00 0.00 42.46 38.89 1pux s ILE 76 CO 0.81 0.13 -0.08 -0.60 -1.91 0.00 0.00 174.94 173.30 1pux s ARG 77 N 0.79 2.39 0.01 3.50 3.52 -1.26 -4.96 118.95 122.94 1pux s ARG 77 Ca 0.58 -1.27 -0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1pux s ARG 77 Cb -0.31 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1pux s ARG 77 CO 0.31 -0.55 -0.00 0.54 -0.81 0.00 0.00 175.30 174.78 1pux s VAL 78 N 1.18 0.05 -0.06 7.11 0.11 -1.26 -3.56 120.40 123.97 1pux s VAL 78 Ca -0.06 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1pux s VAL 78 Cb -0.19 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1pux s VAL 78 CO -0.04 -0.24 -0.01 -0.63 -3.33 0.00 0.00 175.10 170.85 1pux s ILE 79 N -0.71 4.16 0.16 7.04 1.01 -0.61 -3.71 121.20 128.54 1pux s ILE 79 Ca -0.08 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1pux s ILE 79 Cb -0.05 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1pux s ILE 79 CO -0.00 0.55 0.20 0.27 0.00 0.00 0.00 174.94 175.96 1pux s ILE 80 N -0.92 4.84 -0.03 2.92 -5.25 -1.24 -2.56 121.20 118.96 1pux s ILE 80 Ca 0.15 -0.93 -0.01 0.00 -0.99 0.00 0.00 60.65 58.87 1pux s ILE 80 Cb -0.11 -3.48 0.03 0.00 2.95 0.00 0.00 42.46 41.84 1pux s ILE 80 CO 0.04 -0.11 0.04 0.00 -1.79 0.00 0.00 174.94 173.12 1pux s MET 81 N -3.19 -0.03 -0.27 0.37 0.23 -1.22 -1.41 119.30 113.78 1pux s MET 81 Ca 0.32 0.24 -0.27 0.00 -1.03 0.00 0.00 55.69 54.96 1pux s MET 81 Cb -0.10 -0.35 0.16 0.00 -1.53 0.00 0.00 34.83 33.00 1pux s MET 81 CO 0.26 -0.22 1.22 -0.08 -2.03 0.00 0.00 175.02 174.16 1pux s THR 82 N 1.43 0.00 0.87 3.16 -1.32 0.20 -3.68 115.64 116.31 1pux s THR 82 Ca -0.04 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.31 1pux s THR 82 Cb -0.13 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1pux s THR 82 CO -0.03 0.00 0.80 0.00 -2.21 0.00 0.00 174.62 173.18 1pux n ALA 83 N 1.48 -1.36 -0.81 11.08 0.00 -1.26 -3.80 120.51 125.83 1pux n ALA 83 Ca -0.09 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 1pux n ALA 83 Cb 0.57 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.48 0.61 -0.03 0.00 4.11 -1.26 -3.58 117.16 113.53 1pux n TYR 84 Ca 0.10 -1.55 -0.03 0.00 -0.00 0.00 0.00 57.90 56.42 1pux n TYR 84 Cb 0.52 -1.53 -0.04 0.00 -0.00 0.00 0.00 39.34 38.29 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 2.99 -0.24 2.51 -7.48 0.00 -1.26 -4.69 105.19 97.01 1pux n GLY 85 Ca 0.41 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.31 3.24 -0.36 1.61 0.28 -1.23 -4.80 120.64 117.06 1pux n GLU 86 Ca -0.10 -4.12 0.28 0.00 -0.16 0.00 0.00 57.16 53.05 1pux n GLU 86 Cb 0.68 -2.26 0.53 0.00 1.43 0.00 0.00 31.44 31.82 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 2.58 0.42 -0.46 -1.84 3.38 -1.83 0.45 115.31 118.01 1pux h LEU 87 Ca 0.40 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.61 1pux h LEU 87 Cb 0.78 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1pux h LEU 87 CO 1.04 -0.12 -0.34 0.44 0.09 0.00 0.00 178.44 179.55 1pux h ASP 88 N 0.26 -1.16 -0.14 -0.43 3.32 -1.99 1.53 116.42 117.81 1pux h ASP 88 Ca 0.74 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.98 1pux h ASP 88 Cb 1.91 0.55 -0.01 0.00 0.22 0.00 0.00 39.33 42.01 1pux h ASP 88 CO -0.50 -0.32 0.02 -0.03 -1.72 0.00 0.00 179.24 176.68 1pux h MET 89 N -0.24 0.23 0.03 3.56 4.05 -0.56 -2.35 114.93 119.67 1pux h MET 89 Ca 0.19 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1pux h MET 89 Cb 0.55 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.28 1pux h MET 89 CO -0.59 0.44 -0.30 0.82 0.23 0.00 0.00 176.91 177.51 1pux h ILE 90 N -0.00 0.34 -0.57 1.77 2.04 -0.16 0.17 117.51 121.10 1pux h ILE 90 Ca 0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.01 1pux h ILE 90 Cb 0.32 0.34 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 1pux h ILE 90 CO 0.00 0.00 -0.20 1.56 0.00 0.00 0.00 178.15 179.52 1pux h GLN 91 N -0.47 -0.06 -0.02 2.37 1.08 0.22 0.19 115.11 118.42 1pux h GLN 91 Ca 0.05 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1pux h GLN 91 Cb 0.54 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1pux h GLN 91 CO -0.24 -0.04 -0.11 0.93 -0.95 0.00 0.00 178.83 178.42 1pux h GLU 92 N -0.06 -0.18 -0.82 1.46 5.08 -0.79 0.17 114.58 119.45 1pux h GLU 92 Ca 0.27 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.81 1pux h GLU 92 Cb 0.47 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 1pux h GLU 92 CO -0.61 -0.12 0.55 0.66 -1.00 0.00 0.00 179.01 178.49 1pux h SER 93 N -0.18 0.40 -0.04 1.42 4.64 0.93 1.69 113.55 122.40 1pux h SER 93 Ca 0.05 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1pux h SER 93 Cb 0.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1pux h SER 93 CO -0.13 0.19 -0.08 0.50 -0.87 0.00 0.00 176.83 176.44 1pux h LYS 94 N 0.41 0.13 0.00 4.77 3.64 0.70 -2.58 116.57 123.63 1pux h LYS 94 Ca 0.41 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1pux h LYS 94 Cb 0.99 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1pux h LYS 94 CO -0.14 0.65 0.00 0.39 -2.27 0.00 0.00 179.45 178.08 1pux n GLU 95 N -4.70 0.07 0.19 1.90 -0.58 0.47 -2.17 120.64 115.81 1pux n GLU 95 Ca -0.08 0.21 0.14 0.00 -0.42 0.00 0.00 57.16 57.01 1pux n GLU 95 Cb 0.33 -1.60 0.48 0.00 -0.57 0.00 0.00 31.44 30.08 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 0.26 -3.46 115.31 111.57 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 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 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 0.45 1.83 3.87 0.83 0.00 -0.92 -4.84 105.19 106.40 1pux n GLY 97 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 3.29 0.08 4.61 0.00 -0.99 -4.89 121.76 121.85 1pux s ALA 98 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.59 1pux s ALA 98 Cb 0.00 -2.79 -0.17 0.00 0.00 0.00 0.00 23.12 20.16 1pux s ALA 98 CO 0.00 -0.02 1.67 -0.07 0.00 0.00 0.00 175.76 177.33 1pux h LEU 99 N 1.28 -0.29 0.00 0.00 -0.00 -1.88 -3.46 115.31 110.96 1pux h LEU 99 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1pux h LEU 99 Cb 1.19 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1pux h LEU 99 CO 0.63 -0.18 0.00 1.07 -0.00 0.00 0.00 178.44 179.96 1pux n THR 100 N -5.23 0.00 -3.67 0.22 5.66 -1.26 -5.00 114.28 105.00 1pux n THR 100 Ca -0.10 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.76 1pux n THR 100 Cb 0.17 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.80 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 -6.00 -0.32 0.20 1.09 -3.43 -1.26 -3.61 115.29 101.96 1pux s HIS 101 Ca 0.00 0.81 0.06 0.00 -0.80 0.00 0.00 55.06 55.13 1pux s HIS 101 Cb 0.00 -0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1pux s HIS 101 CO 0.00 -0.31 0.15 -0.06 -2.00 0.00 0.00 174.74 172.52 1pux s PHE 102 N 2.25 3.12 0.06 0.38 0.08 -0.50 -4.99 117.98 118.38 1pux s PHE 102 Ca 0.01 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.04 1pux s PHE 102 Cb -0.12 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1pux s PHE 102 CO -0.07 0.52 -0.03 0.00 -0.10 0.00 0.00 175.22 175.54 1pux s ALA 103 N -1.89 3.18 0.07 5.36 0.00 -1.25 0.62 121.76 127.84 1pux s ALA 103 Ca 0.31 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 1pux s ALA 103 Cb -0.09 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1pux s ALA 103 CO 0.24 0.67 0.67 1.63 0.00 0.00 0.00 175.76 178.96 1pux n LYS 104 N 0.91 -0.19 -2.30 0.00 5.02 -1.26 -2.82 118.16 117.52 1pux n LYS 104 Ca -0.13 0.65 -0.37 0.00 -2.02 0.00 0.00 58.31 56.45 1pux n LYS 104 Cb 0.52 -0.96 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 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 -5.22 2.99 0.13 1.97 0.04 -1.26 -4.95 135.00 128.70 1pux s PRO 105 Ca -0.05 -0.23 0.06 0.00 0.04 0.00 0.00 61.00 60.83 1pux s PRO 105 Cb 0.05 -4.71 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 1pux s PRO 105 CO 0.27 -2.60 -0.15 -0.59 0.04 0.00 0.00 177.00 173.97 1pux s PHE 106 N 7.44 1.48 0.05 0.56 -0.12 -1.13 -5.14 117.98 121.12 1pux s PHE 106 Ca 0.54 -0.54 0.06 0.00 -0.05 0.00 0.00 56.93 56.94 1pux s PHE 106 Cb -0.07 -0.77 -0.03 0.00 -0.63 0.00 0.00 43.02 41.52 1pux s PHE 106 CO 0.07 0.18 -0.12 0.34 -0.05 0.00 0.00 175.22 175.64 1pux s ASP 107 N -2.51 4.21 0.31 1.98 2.15 -1.26 -5.01 116.67 116.54 1pux s ASP 107 Ca 0.10 -0.33 0.09 0.00 0.43 0.00 0.00 52.55 52.84 1pux s ASP 107 Cb -0.05 -0.81 0.50 0.00 -0.30 0.00 0.00 42.92 42.26 1pux s ASP 107 CO 0.04 0.24 1.72 0.40 -0.17 0.00 0.00 175.17 177.39 1pux h ILE 108 N 3.70 1.32 -0.15 4.11 1.08 -2.01 0.29 117.51 125.86 1pux h ILE 108 Ca -0.48 -1.56 -0.05 0.00 -0.39 0.00 0.00 64.86 62.38 1pux h ILE 108 Cb 1.16 1.76 -0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1pux h ILE 108 CO 0.51 0.46 -0.10 -0.78 -0.69 0.00 0.00 178.15 177.54 1pux h ASP 109 N 0.12 0.34 0.44 1.72 3.58 -1.97 -1.90 116.42 118.74 1pux h ASP 109 Ca 0.01 -0.45 -0.12 0.00 0.42 0.00 0.00 57.03 56.89 1pux h ASP 109 Cb 0.82 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1pux h ASP 109 CO 0.06 0.72 -0.53 1.05 -2.88 0.00 0.00 179.24 177.66 1pux h GLU 110 N -0.03 0.10 0.00 0.28 4.11 -1.94 -2.47 114.58 114.63 1pux h GLU 110 Ca 0.03 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 1pux h GLU 110 Cb 0.60 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1pux h GLU 110 CO 0.03 0.61 -0.23 0.82 0.07 0.00 0.00 179.01 180.31 1pux h ILE 111 N 0.08 0.76 0.00 -1.06 2.04 -0.31 -1.88 117.51 117.14 1pux h ILE 111 Ca -0.00 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1pux h ILE 111 Cb 0.96 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1pux h ILE 111 CO 0.07 0.22 -0.02 0.03 0.00 0.00 0.00 178.15 178.46 1pux h ARG 112 N 0.00 0.00 0.15 2.37 3.08 -0.85 1.00 114.38 120.14 1pux h ARG 112 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1pux h ARG 112 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1pux h ARG 112 CO 0.03 0.02 -0.07 0.22 -1.07 0.00 0.00 179.97 179.10 1pux h ASP 113 N 0.00 -0.17 -0.69 7.04 1.82 -1.45 -3.17 116.42 119.80 1pux h ASP 113 Ca -0.00 -0.22 0.11 0.00 -0.39 0.00 0.00 57.03 56.53 1pux h ASP 113 Cb 0.07 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.08 1pux h ASP 113 CO 0.00 0.38 0.46 0.00 -1.61 0.00 0.00 179.24 178.47 1pux h ALA 114 N -0.72 1.96 -0.85 -0.78 0.00 -1.50 0.73 119.26 118.11 1pux h ALA 114 Ca -0.02 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1pux h ALA 114 Cb 0.38 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1pux h ALA 114 CO 0.03 -0.12 0.46 0.28 0.00 0.00 0.00 179.25 179.90 1pux h VAL 115 N 0.50 0.81 -0.61 0.00 2.07 -0.86 1.19 116.25 119.36 1pux h VAL 115 Ca 0.32 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.78 1pux h VAL 115 Cb 0.59 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1pux h VAL 115 CO -0.11 0.13 0.76 0.50 0.02 0.00 0.00 177.57 178.88 1pux h LYS 116 N 0.71 0.00 0.00 1.57 3.64 -0.81 2.44 116.57 124.11 1pux h LYS 116 Ca 0.44 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.62 1pux h LYS 116 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1pux h LYS 116 CO -0.31 0.00 -1.76 1.63 -2.27 0.00 0.00 179.45 176.74 1pux n LYS 117 N -3.42 1.91 0.23 1.90 5.02 0.17 -4.46 118.16 119.50 1pux n LYS 117 Ca 0.13 0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1pux n LYS 117 Cb 0.98 -1.28 0.44 0.00 -0.02 0.00 0.00 35.03 35.15 1pux n LYS 117 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1pux h TYR 118 N 0.00 0.00 0.00 2.13 5.03 0.52 -3.47 116.97 121.19 1pux h TYR 118 Ca -0.30 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.01 1pux h TYR 118 Cb 1.64 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.92 1pux h TYR 118 CO 0.00 0.17 0.00 -0.11 -1.32 0.00 0.00 178.16 176.90 1pux n LEU 119 N -3.28 0.00 -2.91 2.82 -0.00 0.78 -4.68 117.00 109.73 1pux n LEU 119 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1pux n LEU 119 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 1pux n LEU 119 CO 0.33 0.00 2.39 -0.81 -0.00 0.00 0.00 177.39 179.30 1pux n PRO 120 N -0.38 2.42 -3.02 1.96 -0.04 -1.26 -3.73 135.00 130.95 1pux n PRO 120 Ca 0.00 -1.48 -0.21 0.00 -0.04 0.00 0.00 63.50 61.77 1pux n PRO 120 Cb 0.00 -2.39 0.01 0.00 -0.04 0.00 0.00 33.50 31.08 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 0.09 3.64 -0.51 1.53 2.96 -1.26 -4.94 118.68 120.19 1pux s LEU 121 Ca 0.52 0.08 -0.43 0.00 -0.22 0.00 0.00 54.13 54.08 1pux s LEU 121 Cb 0.17 -2.98 -0.19 0.00 0.50 0.00 0.00 46.19 43.68 1pux s LEU 121 CO -0.03 -0.74 2.13 1.17 -1.32 0.00 0.00 176.35 177.56 1pux n LYS 122 N -2.03 0.00 -3.26 1.98 0.00 -1.26 -4.83 118.16 108.76 1pux n LYS 122 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.94 1pux n LYS 122 Cb 0.58 -1.48 -0.07 0.00 0.00 0.00 0.00 35.03 34.06 1pux n LYS 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1pux s SER 123 N 6.03 6.46 0.00 3.14 0.01 -1.26 -5.00 113.70 123.08 1pux s SER 123 Ca 1.19 0.55 0.00 0.00 1.31 0.00 0.00 55.95 59.00 1pux s SER 123 Cb -1.47 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 62.48 1pux s SER 123 CO 0.64 -0.23 0.00 -3.20 0.41 0.00 0.00 173.24 170.86