#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 0.00 0.00 0.03 0.00 -1.26 -5.17 117.12 110.72 1pux n MET 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1pux n MET 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1pux n MET 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1pux n ASN 3 N 0.00 -0.17 0.00 6.12 2.85 -1.26 -5.13 115.26 117.67 1pux n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1pux n ASN 3 Cb 0.00 0.80 0.00 0.00 1.24 0.00 0.00 39.78 41.82 1pux n ASN 3 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1pux n GLU 4 N -0.70 0.00 -3.75 1.20 2.13 -1.26 -5.06 120.64 113.19 1pux n GLU 4 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1pux n GLU 4 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1pux n GLU 4 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1pux s LYS 5 N -2.00 0.99 -0.23 5.31 3.01 -1.26 -3.06 119.74 122.50 1pux s LYS 5 Ca 0.00 -0.85 -0.26 0.00 -1.01 0.00 0.00 55.97 53.84 1pux s LYS 5 Cb 0.00 0.41 0.09 0.00 -1.01 0.00 0.00 37.83 37.32 1pux s LYS 5 CO 0.00 -0.36 0.82 0.42 0.51 0.00 0.00 175.35 176.74 1pux s ILE 6 N -3.84 0.00 0.02 2.17 1.01 -1.18 -0.94 121.20 118.44 1pux s ILE 6 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1pux s ILE 6 Cb 0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1pux s ILE 6 CO -0.10 0.00 -0.13 -0.22 0.00 0.00 0.00 174.94 174.49 1pux s LEU 7 N 0.00 2.87 -0.27 2.97 2.96 0.37 -2.81 118.68 124.77 1pux s LEU 7 Ca -0.01 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1pux s LEU 7 Cb -0.04 -1.66 0.07 0.00 0.50 0.00 0.00 46.19 45.06 1pux s LEU 7 CO 0.00 0.27 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.64 1pux s ILE 8 N -0.95 1.79 -0.15 6.68 1.01 0.93 -0.81 121.20 129.69 1pux s ILE 8 Ca 0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.18 1pux s ILE 8 Cb -0.11 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1pux s ILE 8 CO 0.06 -0.24 -0.01 -0.69 0.00 0.00 0.00 174.94 174.07 1pux s VAL 9 N 1.24 4.18 0.00 2.92 1.01 0.81 -1.80 120.40 128.76 1pux s VAL 9 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1pux s VAL 9 Cb -0.19 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1pux s VAL 9 CO -0.08 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 174.85 1pux n ASP 10 N 3.36 -0.93 -0.45 3.32 2.03 -1.05 -3.57 116.55 119.25 1pux n ASP 10 Ca -0.17 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.08 1pux n ASP 10 Cb 0.53 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 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 -3.83 -5.67 -4.63 1.67 2.03 -1.26 -4.73 116.55 100.14 1pux n ASP 11 Ca 0.00 0.15 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 1pux n ASP 11 Cb 0.00 -3.68 -0.02 0.00 -0.72 0.00 0.00 41.12 36.70 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 -2.40 3.95 0.00 -0.67 -2.07 -1.26 -4.54 119.66 112.67 1pux s GLN 12 Ca 0.00 0.90 0.01 0.00 -1.82 0.00 0.00 55.36 54.45 1pux s GLN 12 Cb 0.00 -3.80 0.02 0.00 -1.09 0.00 0.00 33.01 28.15 1pux s GLN 12 CO 0.00 -1.07 0.91 0.98 -1.32 0.00 0.00 175.29 174.79 1pux n TYR 13 N 7.21 0.00 0.00 9.60 4.19 -1.26 -4.95 117.16 131.95 1pux n TYR 13 Ca 0.12 -0.39 0.00 0.00 3.31 0.00 0.00 57.90 60.94 1pux n TYR 13 Cb 0.48 0.41 0.00 0.00 0.49 0.00 0.00 39.34 40.72 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 0.03 0.55 0.12 2.98 0.00 -1.26 -4.93 105.19 102.68 1pux n GLY 14 Ca -0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.93 -0.61 5.03 -1.93 -3.26 117.51 116.56 1pux h ILE 15 Ca 0.00 -2.49 0.13 0.00 -0.12 0.00 0.00 64.86 62.37 1pux h ILE 15 Cb 0.00 2.51 -0.08 0.00 -3.03 0.00 0.00 36.82 36.22 1pux h ILE 15 CO 0.00 0.77 0.60 0.08 -0.68 0.00 0.00 178.15 178.91 1pux h ARG 16 N 0.05 0.82 -0.24 2.37 0.11 -1.92 -0.45 114.38 115.13 1pux h ARG 16 Ca -0.36 -0.05 -0.11 0.00 0.10 0.00 0.00 59.98 59.56 1pux h ARG 16 Cb 2.03 -0.18 -0.00 0.00 1.11 0.00 0.00 29.97 32.92 1pux h ARG 16 CO 0.10 0.54 -0.27 0.82 0.10 0.00 0.00 179.97 181.26 1pux h ILE 17 N 0.84 1.32 -0.70 0.08 2.04 -1.98 -0.71 117.51 118.40 1pux h ILE 17 Ca 0.46 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.95 1pux h ILE 17 Cb 0.58 1.70 -0.10 0.00 -0.74 0.00 0.00 36.82 38.26 1pux h ILE 17 CO -0.23 0.45 -0.56 0.25 0.00 0.00 0.00 178.15 178.06 1pux h LEU 18 N 0.31 -1.97 -1.36 1.44 6.46 -1.13 1.62 115.31 120.68 1pux h LEU 18 Ca 0.03 0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1pux h LEU 18 Cb 0.83 0.85 -0.00 0.00 -0.73 0.00 0.00 40.66 41.60 1pux h LEU 18 CO 0.06 -0.32 -0.16 0.17 -0.62 0.00 0.00 178.44 177.58 1pux h LEU 19 N -0.20 0.00 0.65 2.25 8.10 -1.48 -3.07 115.31 121.55 1pux h LEU 19 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.08 1pux h LEU 19 Cb 0.51 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1pux h LEU 19 CO -0.77 0.16 -0.31 -1.13 -4.11 0.00 0.00 178.44 172.28 1pux h ASN 20 N 0.00 -0.74 -0.12 0.17 -1.24 0.30 -0.94 115.58 113.01 1pux h ASN 20 Ca -0.00 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.07 1pux h ASN 20 Cb 0.62 0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.85 1pux h ASN 20 CO 0.02 -0.38 0.50 -0.08 -1.29 0.00 0.00 177.43 176.20 1pux h GLU 21 N -1.17 0.00 0.08 6.67 4.81 0.18 1.80 114.58 126.96 1pux h GLU 21 Ca -0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1pux h GLU 21 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1pux h GLU 21 CO 0.15 0.00 -0.04 0.28 -0.73 0.00 0.00 179.01 178.67 1pux h VAL 22 N 0.00 0.00 -0.31 0.32 2.07 -1.38 -2.02 116.25 114.93 1pux h VAL 22 Ca 0.06 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 1pux h VAL 22 Cb 1.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1pux h VAL 22 CO -0.00 0.00 -0.16 -0.26 0.02 0.00 0.00 177.57 177.17 1pux h PHE 23 N -0.91 0.60 -0.34 1.57 0.04 0.29 -2.52 116.94 115.67 1pux h PHE 23 Ca -0.01 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.55 1pux h PHE 23 Cb 0.08 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1pux h PHE 23 CO 0.00 0.68 -0.21 -0.97 -0.60 0.00 0.00 178.31 177.21 1pux h ASN 24 N 0.50 0.65 -0.07 2.17 -1.24 0.26 -1.78 115.58 116.06 1pux h ASN 24 Ca 0.08 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 56.89 1pux h ASN 24 Cb 0.57 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 1pux h ASN 24 CO 0.04 0.86 0.35 0.11 -1.29 0.00 0.00 177.43 177.49 1pux h LYS 25 N 0.57 0.00 0.00 6.67 1.57 -0.90 1.24 116.57 125.72 1pux h LYS 25 Ca 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1pux h LYS 25 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1pux h LYS 25 CO 0.05 0.00 -1.55 0.39 -0.57 0.00 0.00 179.45 177.77 1pux n GLU 26 N -3.03 0.63 -0.01 3.15 -0.58 -0.71 -4.96 120.64 115.14 1pux n GLU 26 Ca -0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1pux n GLU 26 Cb 0.42 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.26 1.00 3.77 0.62 0.00 0.43 -4.95 105.19 107.31 1pux n GLY 27 Ca -0.04 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 2.58 -0.40 1.61 2.02 -0.96 -4.98 117.35 115.22 1pux s TYR 28 Ca 0.00 1.53 -0.21 0.00 -0.37 0.00 0.00 57.07 58.02 1pux s TYR 28 Cb 0.00 -3.37 0.02 0.00 -0.40 0.00 0.00 41.96 38.20 1pux s TYR 28 CO 0.00 -1.82 0.68 -1.14 -1.57 0.00 0.00 175.55 171.70 1pux s GLN 29 N -3.25 3.49 0.11 -0.62 0.74 -1.17 -4.56 119.66 114.40 1pux s GLN 29 Ca 0.74 -0.11 0.10 0.00 0.05 0.00 0.00 55.36 56.14 1pux s GLN 29 Cb -0.27 -3.88 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 1pux s GLN 29 CO 0.30 -0.92 -0.25 0.95 -0.55 0.00 0.00 175.29 174.83 1pux s THR 30 N 2.89 2.39 0.15 -0.34 -4.23 -1.26 -3.12 115.64 112.12 1pux s THR 30 Ca 0.25 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1pux s THR 30 Cb -0.14 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1pux s THR 30 CO 0.18 0.14 0.02 0.12 -0.54 0.00 0.00 174.62 174.54 1pux s PHE 31 N -1.04 1.06 0.16 3.99 2.19 -1.12 -5.02 117.98 118.20 1pux s PHE 31 Ca 0.15 -1.09 0.11 0.00 0.33 0.00 0.00 56.93 56.42 1pux s PHE 31 Cb -0.10 -0.60 -0.04 0.00 -1.31 0.00 0.00 43.02 40.96 1pux s PHE 31 CO 0.06 -0.32 -0.24 -0.65 1.83 0.00 0.00 175.22 175.91 1pux s GLN 32 N -3.96 1.53 0.21 10.12 -0.21 -1.26 -0.05 119.66 126.04 1pux s GLN 32 Ca 0.23 -1.40 0.01 0.00 0.02 0.00 0.00 55.36 54.22 1pux s GLN 32 Cb 0.07 -1.92 -0.05 0.00 1.00 0.00 0.00 33.01 32.11 1pux s GLN 32 CO 0.02 0.43 0.07 0.00 -2.12 0.00 0.00 175.29 173.69 1pux s ALA 33 N -1.35 1.41 -0.33 6.09 0.00 -0.75 -4.94 121.76 121.89 1pux s ALA 33 Ca 0.18 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 50.57 1pux s ALA 33 Cb -0.09 0.92 0.46 0.00 0.00 0.00 0.00 23.12 24.41 1pux s ALA 33 CO 0.08 -0.44 1.06 0.00 0.00 0.00 0.00 175.76 176.47 1pux n ALA 34 N -0.31 3.91 0.00 0.00 0.00 -1.26 -2.54 120.51 120.31 1pux n ALA 34 Ca -0.02 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1pux n ALA 34 Cb 0.65 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.39 0.00 -0.07 0.00 3.02 -1.26 -4.95 115.26 111.61 1pux n ASN 35 Ca 0.22 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.69 1pux n ASN 35 Cb 0.80 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.91 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 0.00 0.10 7.41 0.00 -1.97 -3.25 103.07 105.36 1pux h GLY 36 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1pux h GLY 36 CO 0.00 0.00 -0.37 -2.00 0.00 0.00 0.00 176.54 174.17 1pux h LEU 37 N -1.00 -1.15 -2.00 3.11 6.46 -1.98 0.72 115.31 119.48 1pux h LEU 37 Ca -0.05 0.16 0.34 0.00 -0.12 0.00 0.00 57.88 58.21 1pux h LEU 37 Cb 0.57 0.48 -0.05 0.00 -0.73 0.00 0.00 40.66 40.93 1pux h LEU 37 CO -0.03 -0.40 0.85 1.56 -0.62 0.00 0.00 178.44 179.80 1pux h GLN 38 N -0.46 0.00 0.00 1.25 4.20 -1.93 1.68 115.11 119.85 1pux h GLN 38 Ca 0.08 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.56 1pux h GLN 38 Cb 0.59 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1pux h GLN 38 CO -0.37 0.00 -1.28 0.00 -0.67 0.00 0.00 178.83 176.51 1pux h ALA 39 N 1.41 0.59 -0.68 3.87 0.00 -0.31 -2.29 119.26 121.83 1pux h ALA 39 Ca 0.56 -1.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1pux h ALA 39 Cb 2.26 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 20.17 1pux h ALA 39 CO -0.01 1.29 0.29 -0.07 0.00 0.00 0.00 179.25 180.75 1pux h LEU 40 N 0.00 0.93 0.04 0.00 3.38 0.81 1.44 115.31 121.92 1pux h LEU 40 Ca -0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pux h LEU 40 Cb 1.81 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1pux h LEU 40 CO 0.09 0.83 -0.02 -0.78 0.09 0.00 0.00 178.44 178.65 1pux h ASP 41 N 0.96 -0.05 0.25 -0.43 3.58 -1.16 -3.16 116.42 116.42 1pux h ASP 41 Ca 0.23 -0.62 -0.00 0.00 0.42 0.00 0.00 57.03 57.06 1pux h ASP 41 Cb 0.18 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 1pux h ASP 41 CO -0.02 0.68 -0.00 0.40 -2.88 0.00 0.00 179.24 177.41 1pux h ILE 42 N -0.87 0.02 0.57 2.25 1.08 -1.35 -0.13 117.51 119.09 1pux h ILE 42 Ca -0.01 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1pux h ILE 42 Cb 0.67 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1pux h ILE 42 CO 0.01 0.00 -0.42 0.58 -0.69 0.00 0.00 178.15 177.63 1pux h VAL 43 N 0.00 0.15 0.02 1.67 2.07 0.20 0.53 116.25 120.90 1pux h VAL 43 Ca -0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 1pux h VAL 43 Cb 0.13 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1pux h VAL 43 CO 0.00 0.00 -0.98 0.74 0.02 0.00 0.00 177.57 177.35 1pux h THR 44 N -0.96 1.44 -0.83 2.57 2.02 -1.53 1.44 112.91 117.05 1pux h THR 44 Ca -0.07 -2.58 0.05 0.00 0.77 0.00 0.00 66.41 64.59 1pux h THR 44 Cb 0.81 2.51 -0.06 0.00 -1.74 0.00 0.00 68.15 69.67 1pux h THR 44 CO 0.02 0.76 0.52 0.50 0.37 0.00 0.00 175.52 177.70 1pux h LYS 45 N 0.18 0.94 -0.01 6.66 3.64 -0.89 -2.05 116.57 125.04 1pux h LYS 45 Ca -0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1pux h LYS 45 Cb 1.62 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1pux h LYS 45 CO 0.16 0.62 -0.46 0.39 -2.27 0.00 0.00 179.45 177.89 1pux n GLU 46 N -4.62 1.42 -3.79 1.90 -0.58 0.19 -4.99 120.64 110.17 1pux n GLU 46 Ca 0.11 -0.76 -0.14 0.00 -0.42 0.00 0.00 57.16 55.96 1pux n GLU 46 Cb 0.15 -1.36 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 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 -0.28 -0.79 -1.91 3.49 1.85 0.49 -4.79 116.66 114.73 1pux n ARG 47 Ca 0.07 -0.33 -0.32 0.00 -1.00 0.00 0.00 57.85 56.27 1pux n ARG 47 Cb 0.38 -0.06 0.02 0.00 -1.05 0.00 0.00 32.46 31.75 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 -5.59 3.24 0.00 2.89 0.04 -1.19 -4.77 135.00 129.62 1pux s PRO 48 Ca 0.14 1.10 0.27 0.00 0.04 0.00 0.00 61.00 62.54 1pux s PRO 48 Cb -0.08 -2.03 0.84 0.00 0.04 0.00 0.00 34.50 33.27 1pux s PRO 48 CO 0.28 -0.87 1.63 -0.25 0.04 0.00 0.00 177.00 177.84 1pux n ASP 49 N -2.37 0.47 -3.64 6.66 9.92 -0.11 -4.84 116.55 122.63 1pux n ASP 49 Ca 0.08 -0.26 -0.09 0.00 -0.53 0.00 0.00 54.79 54.00 1pux n ASP 49 Cb 0.53 0.02 -0.07 0.00 -0.64 0.00 0.00 41.12 40.96 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 -2.82 -0.54 -0.04 0.64 2.96 -1.22 -4.95 118.68 112.71 1pux s LEU 50 Ca 0.17 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 1pux s LEU 50 Cb 0.19 1.98 0.02 0.00 0.50 0.00 0.00 46.19 48.87 1pux s LEU 50 CO 0.59 -0.17 -0.06 0.54 -1.32 0.00 0.00 176.35 175.94 1pux s VAL 51 N 0.52 0.62 -0.26 1.68 0.11 -1.25 -0.48 120.40 121.34 1pux s VAL 51 Ca -0.00 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 58.75 1pux s VAL 51 Cb -0.05 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1pux s VAL 51 CO -0.07 0.23 0.17 -1.48 -3.33 0.00 0.00 175.10 170.62 1pux s LEU 52 N 0.74 4.05 -0.04 2.54 2.34 0.01 -1.85 118.68 126.48 1pux s LEU 52 Ca -0.11 0.04 0.04 0.00 0.06 0.00 0.00 54.13 54.16 1pux s LEU 52 Cb -0.13 -2.11 -0.00 0.00 -0.56 0.00 0.00 46.19 43.39 1pux s LEU 52 CO 0.01 0.00 -0.15 -0.22 -1.06 0.00 0.00 176.35 174.93 1pux s LEU 53 N 1.43 1.88 -0.14 1.48 0.20 -1.04 -0.13 118.68 122.35 1pux s LEU 53 Ca 0.07 -0.31 -0.15 0.00 0.69 0.00 0.00 54.13 54.43 1pux s LEU 53 Cb -0.15 -0.86 -0.05 0.00 -0.43 0.00 0.00 46.19 44.70 1pux s LEU 53 CO 0.08 0.13 0.35 -0.62 -0.29 0.00 0.00 176.35 176.00 1pux s ASP 54 N 0.09 6.53 0.01 3.68 2.15 -1.23 -3.55 116.67 124.35 1pux s ASP 54 Ca -0.04 0.62 -0.03 0.00 0.43 0.00 0.00 52.55 53.53 1pux s ASP 54 Cb -0.11 -2.21 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 1pux s ASP 54 CO 0.02 0.09 1.05 0.24 -0.17 0.00 0.00 175.17 176.40 1pux h MET 55 N 6.57 -0.09 -5.71 4.34 2.86 -1.96 -3.39 114.93 117.55 1pux h MET 55 Ca -0.42 0.01 -0.56 0.00 -2.06 0.00 0.00 59.70 56.67 1pux h MET 55 Cb 1.17 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1pux h MET 55 CO 0.75 -0.06 1.56 1.63 1.06 0.00 0.00 176.91 181.84 1pux n LYS 56 N -2.57 1.03 -4.07 1.72 4.76 -1.26 -2.66 118.16 115.10 1pux n LYS 56 Ca -0.01 0.18 -0.10 0.00 -2.87 0.00 0.00 58.31 55.51 1pux n LYS 56 Cb 0.04 -2.76 -0.11 0.00 -1.84 0.00 0.00 35.03 30.37 1pux n LYS 56 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1pux s ILE 57 N 9.39 0.39 -0.03 -0.18 1.01 -1.26 -4.93 121.20 125.58 1pux s ILE 57 Ca 1.09 -1.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 1pux s ILE 57 Cb -0.62 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1pux s ILE 57 CO 0.39 -0.68 1.21 -2.16 0.00 0.00 0.00 174.94 173.71 1pux s PRO 58 N -2.64 4.36 0.02 2.79 0.04 -1.26 -4.31 135.00 134.00 1pux s PRO 58 Ca -0.02 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1pux s PRO 58 Cb -0.02 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1pux s PRO 58 CO -0.04 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1pux n GLY 59 N 3.36 -3.77 2.91 0.56 0.00 -1.26 -4.90 105.19 102.09 1pux n GLY 59 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 0.53 -2.40 -0.65 1.61 0.00 -1.26 -4.90 117.12 110.04 1pux n MET 60 Ca 0.00 2.05 -0.26 0.00 -0.00 0.00 0.00 57.70 59.49 1pux n MET 60 Cb 0.00 -2.94 0.14 0.00 0.00 0.00 0.00 33.22 30.42 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 1.65 -2.73 -0.14 6.12 5.68 -1.26 -4.85 116.55 121.03 1pux n ASP 61 Ca -0.11 -0.23 0.14 0.00 -0.50 0.00 0.00 54.79 54.09 1pux n ASP 61 Cb 0.30 -0.80 0.59 0.00 -1.14 0.00 0.00 41.12 40.06 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 2.43 -0.89 0.28 6.12 0.00 -1.09 -3.94 105.19 108.11 1pux n GLY 62 Ca 0.02 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 0.67 0.55 0.06 -0.61 2.04 -1.88 0.68 117.51 119.02 1pux h ILE 63 Ca 0.00 -0.12 -0.23 0.00 1.00 0.00 0.00 64.86 65.50 1pux h ILE 63 Cb 0.37 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1pux h ILE 63 CO 0.00 0.07 -1.21 -0.33 0.00 0.00 0.00 178.15 176.68 1pux h GLU 64 N 0.36 0.14 -0.09 2.37 4.39 -1.93 -3.13 114.58 116.69 1pux h GLU 64 Ca 0.45 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.94 1pux h GLU 64 Cb 0.76 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 1pux h GLU 64 CO -0.48 1.11 -0.43 0.82 -1.16 0.00 0.00 179.01 178.87 1pux h ILE 65 N -0.59 0.00 -0.45 3.13 2.04 -1.57 1.36 117.51 121.43 1pux h ILE 65 Ca -0.28 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.70 1pux h ILE 65 Cb 1.53 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1pux h ILE 65 CO -0.03 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.37 1pux h LEU 66 N -0.48 0.02 0.42 1.44 -0.00 0.16 0.49 115.31 117.37 1pux h LEU 66 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1pux h LEU 66 Cb 0.55 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1pux h LEU 66 CO -0.34 0.01 -0.20 0.11 -0.00 0.00 0.00 178.44 178.03 1pux h LYS 67 N 0.03 -0.54 -0.78 1.13 1.57 -0.25 -2.35 116.57 115.38 1pux h LYS 67 Ca 0.21 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.16 1pux h LYS 67 Cb 0.81 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 1pux h LYS 67 CO -0.01 -0.36 0.51 0.00 -0.57 0.00 0.00 179.45 179.02 1pux h ARG 68 N -0.85 0.53 0.04 3.15 3.08 0.21 0.57 114.38 121.11 1pux h ARG 68 Ca -0.06 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1pux h ARG 68 Cb 0.43 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1pux h ARG 68 CO 0.09 0.35 -0.16 1.98 -1.07 0.00 0.00 179.97 181.17 1pux h MET 69 N 0.54 -0.27 -0.12 0.04 4.05 -0.02 1.37 114.93 120.53 1pux h MET 69 Ca 0.38 0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.69 1pux h MET 69 Cb 0.70 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1pux h MET 69 CO -0.14 -0.18 -0.43 1.57 0.23 0.00 0.00 176.91 177.97 1pux h LYS 70 N -0.28 0.49 -0.36 0.39 5.09 -0.74 -1.19 116.57 119.98 1pux h LYS 70 Ca 0.04 -0.38 0.04 0.00 0.09 0.00 0.00 60.65 60.44 1pux h LYS 70 Cb 0.32 0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.70 1pux h LYS 70 CO -0.12 1.00 0.24 0.28 -2.09 0.00 0.00 179.45 178.76 1pux h VAL 71 N 0.09 1.00 -0.01 0.07 2.07 0.32 -1.98 116.25 117.80 1pux h VAL 71 Ca -0.02 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1pux h VAL 71 Cb 1.06 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1pux h VAL 71 CO 0.09 0.06 -0.05 0.40 0.02 0.00 0.00 177.57 178.09 1pux h ILE 72 N 0.33 1.52 -3.68 4.57 1.08 0.20 -3.45 117.51 118.08 1pux h ILE 72 Ca 0.15 -1.60 -0.33 0.00 -0.39 0.00 0.00 64.86 62.69 1pux h ILE 72 Cb 0.19 2.57 -0.31 0.00 -3.07 0.00 0.00 36.82 36.20 1pux h ILE 72 CO -0.03 0.42 -0.75 -1.81 -0.69 0.00 0.00 178.15 175.29 1pux s ASP 73 N -5.96 0.49 0.14 1.72 1.11 -0.46 -5.02 116.67 108.69 1pux s ASP 73 Ca -0.17 -0.06 0.22 0.00 0.18 0.00 0.00 52.55 52.72 1pux s ASP 73 Cb 0.00 -0.16 -0.09 0.00 1.07 0.00 0.00 42.92 43.75 1pux s ASP 73 CO 0.69 -0.02 0.89 -0.62 1.18 0.00 0.00 175.17 177.30 1pux n GLU 74 N 3.53 0.62 0.13 8.23 1.02 -1.20 -3.74 120.64 129.23 1pux n GLU 74 Ca -0.20 0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.13 1pux n GLU 74 Cb 0.55 -1.76 0.40 0.00 -0.02 0.00 0.00 31.44 30.61 1pux n GLU 74 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1pux h ASN 75 N 0.00 0.00 -3.09 1.62 7.08 -1.95 -3.45 115.58 115.79 1pux h ASN 75 Ca -0.02 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.67 1pux h ASN 75 Cb 1.06 0.00 0.07 0.00 -2.08 0.00 0.00 38.32 37.37 1pux h ASN 75 CO 0.00 0.00 0.93 -0.51 -2.08 0.00 0.00 177.43 175.77 1pux s ILE 76 N -3.17 2.09 -0.25 6.14 2.07 -1.25 -4.98 121.20 121.85 1pux s ILE 76 Ca 0.09 0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.40 1pux s ILE 76 Cb 0.11 -3.05 0.04 0.00 0.13 0.00 0.00 42.46 39.69 1pux s ILE 76 CO 0.57 0.01 -0.08 -0.60 -1.91 0.00 0.00 174.94 172.93 1pux s ARG 77 N 0.13 2.60 0.01 3.50 3.52 -1.26 -4.97 118.95 122.48 1pux s ARG 77 Ca 0.67 -1.12 -0.03 0.00 -0.13 0.00 0.00 55.73 55.12 1pux s ARG 77 Cb -0.48 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1pux s ARG 77 CO 0.42 -0.47 0.03 0.54 -0.81 0.00 0.00 175.30 175.01 1pux s VAL 78 N 1.24 0.10 -0.01 7.11 0.11 -1.26 -3.91 120.40 123.78 1pux s VAL 78 Ca -0.03 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.26 1pux s VAL 78 Cb -0.18 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1pux s VAL 78 CO -0.05 -0.44 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.51 1pux s ILE 79 N -1.38 3.06 0.14 7.04 1.01 -0.77 -3.32 121.20 126.97 1pux s ILE 79 Ca -0.15 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.67 1pux s ILE 79 Cb -0.09 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1pux s ILE 79 CO -0.00 0.49 0.12 0.27 0.00 0.00 0.00 174.94 175.82 1pux s ILE 80 N -0.83 4.50 -0.04 2.92 -5.25 -1.21 -2.49 121.20 118.80 1pux s ILE 80 Ca 0.13 -0.99 -0.01 0.00 -0.99 0.00 0.00 60.65 58.79 1pux s ILE 80 Cb -0.11 -3.26 0.03 0.00 2.95 0.00 0.00 42.46 42.08 1pux s ILE 80 CO 0.03 -0.04 0.08 0.00 -1.79 0.00 0.00 174.94 173.22 1pux s MET 81 N -2.89 0.00 -0.27 0.37 0.23 -1.23 -1.75 119.30 113.76 1pux s MET 81 Ca 0.30 0.31 -0.27 0.00 -1.03 0.00 0.00 55.69 55.01 1pux s MET 81 Cb -0.11 -0.26 0.17 0.00 -1.53 0.00 0.00 34.83 33.10 1pux s MET 81 CO 0.23 -0.20 1.29 -0.08 -2.03 0.00 0.00 175.02 174.22 1pux s THR 82 N 1.37 0.00 0.86 3.16 -1.32 0.13 -3.91 115.64 115.92 1pux s THR 82 Ca -0.06 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.29 1pux s THR 82 Cb -0.12 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 1pux s THR 82 CO -0.04 0.00 0.91 0.00 -2.21 0.00 0.00 174.62 173.28 1pux n ALA 83 N 1.36 -1.02 -0.87 11.08 0.00 -1.26 -3.82 120.51 125.98 1pux n ALA 83 Ca -0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 1pux n ALA 83 Cb 0.57 -2.08 -0.14 0.00 0.00 0.00 0.00 19.45 17.80 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 -3.47 0.00 -0.03 0.00 0.18 -1.26 -3.62 117.16 108.97 1pux n TYR 84 Ca 0.11 -1.32 0.00 0.00 1.88 0.00 0.00 57.90 58.57 1pux n TYR 84 Cb 0.51 -1.42 -0.08 0.00 -0.38 0.00 0.00 39.34 37.98 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 2.48 -0.46 2.51 -7.48 0.00 -1.26 -4.66 105.19 96.32 1pux n GLY 85 Ca 0.36 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.10 3.02 -0.36 1.61 0.28 -1.24 -4.86 120.64 116.99 1pux n GLU 86 Ca -0.09 -4.28 0.27 0.00 -0.16 0.00 0.00 57.16 52.90 1pux n GLU 86 Cb 0.54 -2.07 0.52 0.00 1.43 0.00 0.00 31.44 31.86 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 2.65 0.44 -1.12 -1.84 3.38 -1.83 1.18 115.31 118.17 1pux h LEU 87 Ca 0.23 0.15 0.30 0.00 0.09 0.00 0.00 57.88 58.65 1pux h LEU 87 Cb 0.97 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1pux h LEU 87 CO 0.79 -0.08 0.63 -0.78 0.09 0.00 0.00 178.44 179.08 1pux h ASP 88 N 0.29 0.52 0.06 -0.43 1.82 -1.99 1.00 116.42 117.69 1pux h ASP 88 Ca 0.72 0.15 -0.12 0.00 -0.39 0.00 0.00 57.03 57.39 1pux h ASP 88 Cb 1.85 0.08 0.01 0.00 0.68 0.00 0.00 39.33 41.95 1pux h ASP 88 CO -0.48 -0.02 -0.50 -0.03 -1.61 0.00 0.00 179.24 176.59 1pux h MET 89 N 0.39 0.23 -0.41 0.28 4.05 0.10 -3.15 114.93 116.42 1pux h MET 89 Ca 0.69 -0.33 0.06 0.00 -0.28 0.00 0.00 59.70 59.83 1pux h MET 89 Cb 1.60 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 32.47 1pux h MET 89 CO -0.48 1.11 0.12 0.82 0.23 0.00 0.00 176.91 178.70 1pux h ILE 90 N -0.48 0.84 -0.32 1.77 5.03 -0.30 0.02 117.51 124.07 1pux h ILE 90 Ca -0.08 -0.09 0.07 0.00 -0.12 0.00 0.00 64.86 64.64 1pux h ILE 90 Cb 1.33 0.55 -0.08 0.00 -3.03 0.00 0.00 36.82 35.59 1pux h ILE 90 CO 0.10 0.05 -0.24 1.56 -0.68 0.00 0.00 178.15 178.93 1pux h GLN 91 N 0.27 -0.20 -0.40 2.37 1.08 0.79 0.56 115.11 119.56 1pux h GLN 91 Ca 0.19 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1pux h GLN 91 Cb 0.20 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1pux h GLN 91 CO -0.22 -0.14 0.18 1.49 -0.95 0.00 0.00 178.83 179.20 1pux h GLU 92 N -0.21 0.36 -0.96 1.46 4.81 -1.34 0.12 114.58 118.82 1pux h GLU 92 Ca 0.16 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1pux h GLU 92 Cb 0.47 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1pux h GLU 92 CO -0.44 0.24 0.63 0.66 -0.73 0.00 0.00 179.01 179.36 1pux h SER 93 N 0.37 1.05 0.33 1.04 4.64 0.32 0.54 113.55 121.84 1pux h SER 93 Ca 0.18 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1pux h SER 93 Cb 0.11 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1pux h SER 93 CO -0.15 0.72 -0.16 0.50 -0.87 0.00 0.00 176.83 176.87 1pux h LYS 94 N 1.22 -0.43 0.00 4.77 3.64 0.11 -1.87 116.57 124.00 1pux h LYS 94 Ca 0.38 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1pux h LYS 94 Cb -0.00 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1pux h LYS 94 CO -0.12 -0.19 0.00 0.39 -2.27 0.00 0.00 179.45 177.25 1pux n GLU 95 N -5.22 0.13 0.23 1.90 -0.58 0.32 -1.28 120.64 116.14 1pux n GLU 95 Ca -0.10 0.45 0.16 0.00 -0.42 0.00 0.00 57.16 57.24 1pux n GLU 95 Cb 0.24 -1.78 0.62 0.00 -0.57 0.00 0.00 31.44 29.95 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 0.93 -3.45 115.31 112.23 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 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 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 0.04 1.59 3.77 0.83 0.00 -0.41 -4.77 105.19 106.24 1pux n GLY 97 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 3.26 0.14 4.61 0.00 -1.13 -4.84 121.76 121.80 1pux s ALA 98 Ca 0.00 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 1pux s ALA 98 Cb 0.00 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1pux s ALA 98 CO 0.00 0.02 1.65 -0.07 0.00 0.00 0.00 175.76 177.36 1pux h LEU 99 N 3.41 -0.59 -7.99 0.00 -0.00 -1.90 -3.46 115.31 104.77 1pux h LEU 99 Ca -0.47 0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.54 1pux h LEU 99 Cb 1.20 0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 42.13 1pux h LEU 99 CO 0.66 -0.24 0.27 0.28 -0.00 0.00 0.00 178.44 179.41 1pux s THR 100 N -6.12 0.00 -0.12 0.22 -1.32 -1.26 -5.13 115.64 101.91 1pux s THR 100 Ca -0.15 -0.99 -0.00 0.00 -1.21 0.00 0.00 61.69 59.34 1pux s THR 100 Cb 0.11 -2.59 0.03 0.00 -1.51 0.00 0.00 72.50 68.53 1pux s THR 100 CO 0.68 0.00 -0.08 -1.38 -2.21 0.00 0.00 174.62 171.63 1pux s HIS 101 N -2.83 1.51 0.19 9.09 -3.43 -1.26 -3.31 115.29 115.25 1pux s HIS 101 Ca 0.14 -0.78 0.06 0.00 -0.80 0.00 0.00 55.06 53.68 1pux s HIS 101 Cb -0.05 -1.25 -0.04 0.00 -1.43 0.00 0.00 32.58 29.81 1pux s HIS 101 CO 0.10 -0.53 0.15 -0.06 -2.00 0.00 0.00 174.74 172.40 1pux s PHE 102 N 1.70 3.12 0.07 0.38 0.08 -0.72 -5.00 117.98 117.62 1pux s PHE 102 Ca 0.05 -0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.11 1pux s PHE 102 Cb -0.13 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 1pux s PHE 102 CO -0.08 0.52 -0.09 0.00 -0.10 0.00 0.00 175.22 175.46 1pux s ALA 103 N -1.86 2.96 0.04 5.36 0.00 -1.25 0.17 121.76 127.18 1pux s ALA 103 Ca 0.31 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1pux s ALA 103 Cb -0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1pux s ALA 103 CO 0.24 0.63 0.40 1.63 0.00 0.00 0.00 175.76 178.66 1pux n LYS 104 N 0.98 -0.11 -2.31 0.00 5.02 -1.26 -2.58 118.16 117.91 1pux n LYS 104 Ca -0.14 0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 56.18 1pux n LYS 104 Cb 0.52 -0.58 -0.04 0.00 -0.02 0.00 0.00 35.03 34.92 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 -5.14 3.03 0.12 1.97 0.04 -1.26 -4.94 135.00 128.82 1pux s PRO 105 Ca -0.03 -0.39 0.06 0.00 0.04 0.00 0.00 61.00 60.68 1pux s PRO 105 Cb 0.03 -4.87 -0.04 0.00 0.04 0.00 0.00 34.50 29.67 1pux s PRO 105 CO 0.16 -2.64 -0.13 -0.59 0.04 0.00 0.00 177.00 173.83 1pux s PHE 106 N 7.41 1.35 -0.04 0.56 -0.12 -1.06 -5.14 117.98 120.93 1pux s PHE 106 Ca 0.55 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.86 1pux s PHE 106 Cb -0.06 -0.71 -0.03 0.00 -0.63 0.00 0.00 43.02 41.59 1pux s PHE 106 CO 0.03 0.12 -0.03 0.34 -0.05 0.00 0.00 175.22 175.64 1pux s ASP 107 N -2.48 4.97 0.14 1.98 2.15 -1.26 -5.01 116.67 117.15 1pux s ASP 107 Ca 0.09 0.01 -0.08 0.00 0.43 0.00 0.00 52.55 52.99 1pux s ASP 107 Cb -0.04 -1.30 -0.05 0.00 -0.30 0.00 0.00 42.92 41.23 1pux s ASP 107 CO 0.03 0.33 1.38 0.40 -0.17 0.00 0.00 175.17 177.14 1pux h ILE 108 N 3.90 1.30 -0.62 4.11 1.08 -2.01 -1.22 117.51 124.05 1pux h ILE 108 Ca -0.49 -1.94 -0.05 0.00 -0.39 0.00 0.00 64.86 61.99 1pux h ILE 108 Cb 1.18 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.81 1pux h ILE 108 CO 0.55 0.61 0.19 0.44 -0.69 0.00 0.00 178.15 179.25 1pux h ASP 109 N 0.49 0.90 0.06 1.72 5.19 -2.00 -1.43 116.42 121.35 1pux h ASP 109 Ca -0.03 -0.21 -0.10 0.00 -0.62 0.00 0.00 57.03 56.07 1pux h ASP 109 Cb 1.29 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1pux h ASP 109 CO 0.14 0.87 -0.32 -0.08 -3.12 0.00 0.00 179.24 176.72 1pux h GLU 110 N 0.88 0.39 0.00 3.56 4.81 -1.96 -2.13 114.58 120.13 1pux h GLU 110 Ca 0.20 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1pux h GLU 110 Cb 0.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1pux h GLU 110 CO -0.01 0.67 -0.22 0.82 -0.73 0.00 0.00 179.01 179.55 1pux h ILE 111 N 0.34 0.70 0.00 2.32 2.04 -0.68 -1.70 117.51 120.54 1pux h ILE 111 Ca 0.04 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1pux h ILE 111 Cb 0.74 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1pux h ILE 111 CO 0.06 0.21 -0.04 0.03 0.00 0.00 0.00 178.15 178.41 1pux h ARG 112 N 0.00 0.00 0.11 2.37 3.08 -0.57 -0.32 114.38 119.05 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 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1pux h ARG 112 CO 0.03 0.04 -0.05 0.22 -1.07 0.00 0.00 179.97 179.13 1pux h ASP 113 N 0.00 -0.12 -0.58 7.04 1.82 -1.35 -2.90 116.42 120.33 1pux h ASP 113 Ca -0.00 -0.35 0.04 0.00 -0.39 0.00 0.00 57.03 56.33 1pux h ASP 113 Cb 0.33 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1pux h ASP 113 CO 0.00 0.50 0.38 0.00 -1.61 0.00 0.00 179.24 178.51 1pux h ALA 114 N -0.52 1.73 -0.92 -0.78 0.00 -1.52 -0.04 119.26 117.20 1pux h ALA 114 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1pux h ALA 114 Cb 0.47 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1pux h ALA 114 CO 0.02 0.20 0.61 0.28 0.00 0.00 0.00 179.25 180.36 1pux h VAL 115 N 0.65 1.17 0.00 0.00 2.07 -1.11 0.61 116.25 119.64 1pux h VAL 115 Ca 0.23 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1pux h VAL 115 Cb 0.12 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1pux h VAL 115 CO -0.06 0.21 0.00 0.50 0.02 0.00 0.00 177.57 178.24 1pux h LYS 116 N 1.18 0.00 0.00 1.57 3.11 -0.78 1.91 116.57 123.55 1pux h LYS 116 Ca 0.36 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.93 1pux h LYS 116 Cb -0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.16 1pux h LYS 116 CO -0.10 0.00 -2.03 1.63 -2.81 0.00 0.00 179.45 176.14 1pux n LYS 117 N -2.44 1.53 -0.05 1.90 5.02 0.11 -4.61 118.16 119.61 1pux n LYS 117 Ca -0.02 -0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 1pux n LYS 117 Cb 0.04 -1.38 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.10 -4.00 2.13 3.20 0.19 -3.47 116.97 115.12 1pux h TYR 118 Ca -0.41 -0.07 -0.40 0.00 3.14 0.00 0.00 58.73 60.99 1pux h TYR 118 Cb 1.91 -0.00 -0.24 0.00 1.54 0.00 0.00 36.73 39.94 1pux h TYR 118 CO 0.00 1.14 -0.78 -1.17 -1.64 0.00 0.00 178.16 175.71 1pux s LEU 119 N -8.09 2.20 -0.77 2.82 1.98 0.63 -5.03 118.68 112.41 1pux s LEU 119 Ca -0.20 -0.48 -0.06 0.00 -2.89 0.00 0.00 54.13 50.50 1pux s LEU 119 Cb -0.01 -0.50 -0.12 0.00 0.66 0.00 0.00 46.19 46.22 1pux s LEU 119 CO 0.70 -0.02 2.62 -0.81 -1.89 0.00 0.00 176.35 176.95 1pux n PRO 120 N 1.77 2.32 -2.69 0.98 -0.04 -1.26 -3.74 135.00 132.34 1pux n PRO 120 Ca -0.19 -1.40 -0.24 0.00 -0.04 0.00 0.00 63.50 61.63 1pux n PRO 120 Cb 0.55 -2.33 0.03 0.00 -0.04 0.00 0.00 33.50 31.70 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 0.08 3.40 -0.19 1.53 2.96 -1.26 -4.97 118.68 120.23 1pux s LEU 121 Ca 0.52 0.39 -0.38 0.00 -0.22 0.00 0.00 54.13 54.44 1pux s LEU 121 Cb 0.17 -3.24 -0.15 0.00 0.50 0.00 0.00 46.19 43.47 1pux s LEU 121 CO -0.03 -0.95 1.72 1.17 -1.32 0.00 0.00 176.35 176.95 1pux n LYS 122 N -2.34 1.37 -2.11 1.98 4.81 -1.26 -4.78 118.16 115.83 1pux n LYS 122 Ca 0.04 0.50 -0.42 0.00 -0.87 0.00 0.00 58.31 57.56 1pux n LYS 122 Cb 0.58 -2.21 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 1pux n LYS 122 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1pux s SER 123 N 3.24 6.77 0.00 3.14 0.01 -1.26 -4.92 113.70 120.67 1pux s SER 123 Ca 0.95 2.39 0.27 0.00 1.31 0.00 0.00 55.95 60.87 1pux s SER 123 Cb -0.98 -2.59 0.82 0.00 0.21 0.00 0.00 66.02 63.48 1pux s SER 123 CO 0.60 -0.69 1.61 -3.20 0.41 0.00 0.00 173.24 171.97