#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 1.06 -4.50 0.03 2.00 -1.26 -5.15 117.12 109.29 1pux n MET 2 Ca 0.00 -1.66 -0.25 0.00 0.00 0.00 0.00 57.70 55.79 1pux n MET 2 Cb 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 33.22 33.26 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 -2.60 3.66 0.58 7.83 0.01 -1.26 -5.04 114.94 118.11 1pux s ASN 3 Ca 0.17 -1.11 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1pux s ASN 3 Cb -0.01 -0.33 0.00 0.00 0.41 0.00 0.00 41.25 41.32 1pux s ASN 3 CO 0.11 -0.07 0.00 1.21 -1.51 0.00 0.00 177.10 176.84 1pux n GLU 4 N -0.70 -4.63 -3.72 -0.60 2.13 -1.26 -4.41 120.64 107.45 1pux n GLU 4 Ca -0.05 3.50 -0.14 0.00 0.66 0.00 0.00 57.16 61.13 1pux n GLU 4 Cb 0.62 -4.08 -0.09 0.00 0.27 0.00 0.00 31.44 28.16 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 -4.28 0.67 -0.01 5.31 1.02 -1.26 -3.86 119.74 117.33 1pux s LYS 5 Ca 0.00 0.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.92 1pux s LYS 5 Cb 0.00 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1pux s LYS 5 CO 0.00 -0.17 0.28 0.42 -0.92 0.00 0.00 175.35 174.96 1pux s ILE 6 N -0.90 0.06 0.02 2.17 1.01 -1.16 -1.26 121.20 121.14 1pux s ILE 6 Ca -0.10 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1pux s ILE 6 Cb -0.04 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 1pux s ILE 6 CO 0.04 -0.28 -0.10 -0.22 0.00 0.00 0.00 174.94 174.37 1pux s LEU 7 N -1.34 2.13 -0.04 2.97 2.96 0.61 -3.22 118.68 122.76 1pux s LEU 7 Ca -0.14 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1pux s LEU 7 Cb -0.06 -0.44 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 1pux s LEU 7 CO 0.04 0.01 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.21 1pux s ILE 8 N -0.71 1.94 -0.07 6.68 1.01 0.26 0.45 121.20 130.77 1pux s ILE 8 Ca -0.00 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1pux s ILE 8 Cb -0.06 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.80 1pux s ILE 8 CO 0.00 0.55 -0.07 -0.69 0.00 0.00 0.00 174.94 174.73 1pux s VAL 9 N -0.37 0.79 0.00 2.92 1.01 0.28 -1.25 120.40 123.78 1pux s VAL 9 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1pux s VAL 9 Cb -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1pux s VAL 9 CO 0.01 0.29 0.00 -0.67 0.00 0.00 0.00 175.10 174.73 1pux n ASP 10 N 4.25 -0.95 0.00 3.32 2.03 -1.07 -3.20 116.55 120.93 1pux n ASP 10 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1pux n ASP 10 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -4.20 -4.61 1.67 2.03 -1.26 -4.71 116.55 101.64 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 -2.55 -0.02 0.00 -0.72 0.00 0.00 41.12 37.82 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 -1.34 3.63 0.00 -0.67 -2.07 -1.26 -4.66 119.66 113.30 1pux s GLN 12 Ca 0.00 1.23 0.08 0.00 -1.82 0.00 0.00 55.36 54.85 1pux s GLN 12 Cb 0.00 -4.03 0.13 0.00 -1.09 0.00 0.00 33.01 28.02 1pux s GLN 12 CO 0.00 -1.49 0.99 0.98 -1.32 0.00 0.00 175.29 174.45 1pux n TYR 13 N 8.80 0.00 0.00 9.60 4.19 -1.26 -4.95 117.16 133.55 1pux n TYR 13 Ca 0.18 -0.39 0.00 0.00 3.31 0.00 0.00 57.90 61.00 1pux n TYR 13 Cb 0.47 0.21 0.00 0.00 0.49 0.00 0.00 39.34 40.51 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 0.16 0.45 0.11 2.98 0.00 -1.26 -4.92 105.19 102.71 1pux n GLY 14 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.60 1.67 -0.31 -0.61 -0.00 -1.26 -3.59 119.36 113.66 1pux n ILE 15 Ca 0.00 -0.72 0.07 0.00 -0.00 0.00 0.00 62.75 62.09 1pux n ILE 15 Cb 0.00 -1.35 0.27 0.00 -0.00 0.00 0.00 39.64 38.56 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 0.03 0.92 -0.20 0.38 0.11 -1.91 -1.23 114.38 112.48 1pux h ARG 16 Ca -0.38 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 59.58 1pux h ARG 16 Cb 2.03 -0.21 -0.00 0.00 1.11 0.00 0.00 29.97 32.90 1pux h ARG 16 CO 0.07 0.61 -0.15 0.82 0.10 0.00 0.00 179.97 181.42 1pux h ILE 17 N 0.94 1.32 -0.76 0.08 2.04 -1.97 0.10 117.51 119.26 1pux h ILE 17 Ca 0.44 -1.27 0.09 0.00 1.00 0.00 0.00 64.86 65.11 1pux h ILE 17 Cb 0.40 1.72 -0.11 0.00 -0.74 0.00 0.00 36.82 38.10 1pux h ILE 17 CO -0.20 0.38 -0.52 0.25 0.00 0.00 0.00 178.15 178.07 1pux h LEU 18 N 0.12 -1.85 -1.20 1.44 5.85 -1.29 1.56 115.31 119.94 1pux h LEU 18 Ca 0.04 0.29 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 1pux h LEU 18 Cb 0.67 0.82 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1pux h LEU 18 CO 0.04 -0.31 -0.21 0.17 -0.34 0.00 0.00 178.44 177.79 1pux h LEU 19 N -0.15 0.00 0.70 2.25 -0.00 -1.46 -3.06 115.31 113.60 1pux h LEU 19 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.01 1pux h LEU 19 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1pux h LEU 19 CO -0.80 0.21 -0.34 -1.13 -0.00 0.00 0.00 178.44 176.38 1pux h ASN 20 N 0.00 -0.80 -0.44 0.17 -1.24 0.37 -0.14 115.58 113.50 1pux h ASN 20 Ca -0.00 0.00 0.13 0.00 0.71 0.00 0.00 56.30 57.14 1pux h ASN 20 Cb 0.70 0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.94 1pux h ASN 20 CO 0.03 -0.44 0.50 -0.08 -1.29 0.00 0.00 177.43 176.15 1pux h GLU 21 N -1.18 0.00 0.26 6.67 4.81 0.14 1.80 114.58 127.08 1pux h GLU 21 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1pux h GLU 21 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1pux h GLU 21 CO 0.16 0.00 -0.12 0.28 -0.73 0.00 0.00 179.01 178.59 1pux h VAL 22 N 0.00 0.00 -0.66 0.32 2.07 -1.35 -1.61 116.25 115.01 1pux h VAL 22 Ca 0.21 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1pux h VAL 22 Cb 1.21 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1pux h VAL 22 CO -0.00 0.00 0.14 -0.26 0.02 0.00 0.00 177.57 177.47 1pux h PHE 23 N -1.06 1.13 -0.70 1.57 0.04 0.24 -2.53 116.94 115.62 1pux h PHE 23 Ca -0.04 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1pux h PHE 23 Cb 0.27 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1pux h PHE 23 CO 0.00 0.94 0.36 -0.97 -0.60 0.00 0.00 178.31 178.04 1pux h ASN 24 N 0.99 0.88 -0.10 2.17 -1.24 0.26 -0.02 115.58 118.51 1pux h ASN 24 Ca 0.20 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.16 1pux h ASN 24 Cb 0.39 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 1pux h ASN 24 CO 0.01 0.73 0.39 0.11 -1.29 0.00 0.00 177.43 177.37 1pux h LYS 25 N 0.99 0.00 0.00 6.67 1.57 -0.83 1.41 116.57 126.38 1pux h LYS 25 Ca 0.25 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1pux h LYS 25 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1pux h LYS 25 CO -0.04 0.00 -1.39 0.39 -0.57 0.00 0.00 179.45 177.84 1pux n GLU 26 N -3.08 0.63 -0.22 3.15 -0.58 -0.04 -4.96 120.64 115.53 1pux n GLU 26 Ca 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1pux n GLU 26 Cb 0.46 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.27 0.83 3.75 0.62 0.00 0.48 -4.97 105.19 107.17 1pux n GLY 27 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.09 2.36 -0.25 1.61 2.02 -1.15 -4.88 117.35 114.96 1pux s TYR 28 Ca 0.00 1.49 -0.27 0.00 -0.37 0.00 0.00 57.07 57.92 1pux s TYR 28 Cb 0.00 -3.55 0.01 0.00 -0.40 0.00 0.00 41.96 38.01 1pux s TYR 28 CO 0.00 -2.37 0.95 -0.65 -1.57 0.00 0.00 175.55 171.91 1pux s GLN 29 N -3.23 4.18 0.11 -0.62 -0.21 -1.25 -4.61 119.66 114.03 1pux s GLN 29 Ca 0.76 1.11 0.07 0.00 0.02 0.00 0.00 55.36 57.32 1pux s GLN 29 Cb -0.33 -3.66 -0.03 0.00 1.00 0.00 0.00 33.01 29.98 1pux s GLN 29 CO 0.36 -0.64 -0.19 0.95 -2.12 0.00 0.00 175.29 173.66 1pux s THR 30 N 3.12 1.57 0.13 -0.19 -4.23 -1.26 -2.99 115.64 111.79 1pux s THR 30 Ca 0.40 -1.56 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 1pux s THR 30 Cb -0.15 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 1pux s THR 30 CO 0.08 -0.15 0.12 0.12 -0.54 0.00 0.00 174.62 174.25 1pux s PHE 31 N -1.38 0.63 0.05 3.99 2.19 -1.20 -5.03 117.98 117.24 1pux s PHE 31 Ca 0.06 -1.03 0.07 0.00 0.33 0.00 0.00 56.93 56.36 1pux s PHE 31 Cb -0.09 -0.32 -0.03 0.00 -1.31 0.00 0.00 43.02 41.28 1pux s PHE 31 CO 0.04 -0.56 -0.19 -1.14 1.83 0.00 0.00 175.22 175.20 1pux s GLN 32 N -4.00 1.24 0.29 10.12 0.74 -1.25 -0.57 119.66 126.23 1pux s GLN 32 Ca 0.19 -0.91 0.04 0.00 0.05 0.00 0.00 55.36 54.73 1pux s GLN 32 Cb 0.06 -1.34 -0.06 0.00 1.10 0.00 0.00 33.01 32.77 1pux s GLN 32 CO -0.01 0.34 0.02 0.00 -0.55 0.00 0.00 175.29 175.09 1pux s ALA 33 N -0.85 2.21 -0.33 1.58 0.00 -0.38 -4.98 121.76 119.02 1pux s ALA 33 Ca 0.06 -1.95 0.10 0.00 0.00 0.00 0.00 51.96 50.16 1pux s ALA 33 Cb -0.09 0.53 0.46 0.00 0.00 0.00 0.00 23.12 24.02 1pux s ALA 33 CO 0.02 -0.25 1.14 0.00 0.00 0.00 0.00 175.76 176.67 1pux n ALA 34 N -0.60 4.56 0.00 0.00 0.00 -1.26 -2.61 120.51 120.60 1pux n ALA 34 Ca -0.04 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.68 1pux n ALA 34 Cb 0.65 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.59 0.00 0.01 0.00 3.02 -1.26 -4.97 115.26 111.48 1pux n ASN 35 Ca 0.35 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.72 1pux n ASN 35 Cb 0.86 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.88 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 0.25 0.38 7.41 0.00 -1.93 -3.26 103.07 105.92 1pux h GLY 36 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1pux h GLY 36 CO 0.00 0.57 -0.09 -2.00 0.00 0.00 0.00 176.54 175.02 1pux h LEU 37 N 0.06 -0.21 -2.05 3.11 6.46 -1.96 -2.56 115.31 118.16 1pux h LEU 37 Ca -0.36 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.08 1pux h LEU 37 Cb 2.04 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 42.02 1pux h LEU 37 CO 0.11 0.33 0.31 1.56 -0.62 0.00 0.00 178.44 180.12 1pux h GLN 38 N -0.87 0.00 0.18 1.25 4.20 -1.94 0.61 115.11 118.55 1pux h GLN 38 Ca -0.03 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.37 1pux h GLN 38 Cb 0.52 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.31 1pux h GLN 38 CO 0.04 0.00 -1.42 0.00 -0.67 0.00 0.00 178.83 176.78 1pux h ALA 39 N 1.38 0.02 0.15 3.87 0.00 -1.57 -2.94 119.26 120.16 1pux h ALA 39 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1pux h ALA 39 Cb 0.62 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pux h ALA 39 CO 0.00 0.89 -0.12 -0.07 0.00 0.00 0.00 179.25 179.95 1pux h LEU 40 N 0.11 -0.32 0.47 0.00 3.38 0.64 1.52 115.31 121.11 1pux h LEU 40 Ca -0.21 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1pux h LEU 40 Cb 2.07 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.90 1pux h LEU 40 CO 0.23 -0.19 -0.51 -0.78 0.09 0.00 0.00 178.44 177.28 1pux h ASP 41 N -0.28 -1.40 -0.30 -0.43 3.58 -1.55 0.70 116.42 116.74 1pux h ASP 41 Ca -0.00 0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.62 1pux h ASP 41 Cb 0.26 0.47 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1pux h ASP 41 CO -0.02 -0.66 0.21 0.40 -2.88 0.00 0.00 179.24 176.30 1pux h ILE 42 N -0.98 0.92 -0.15 2.25 1.08 -1.38 0.22 117.51 119.46 1pux h ILE 42 Ca -0.06 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 1pux h ILE 42 Cb 0.86 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1pux h ILE 42 CO -0.08 0.02 0.00 0.58 -0.69 0.00 0.00 178.15 177.98 1pux h VAL 43 N 0.13 1.25 -0.25 1.67 2.07 0.37 1.27 116.25 122.77 1pux h VAL 43 Ca 0.14 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1pux h VAL 43 Cb 0.38 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1pux h VAL 43 CO -0.02 0.24 -0.21 0.74 0.02 0.00 0.00 177.57 178.35 1pux h THR 44 N 0.01 1.25 0.06 2.57 2.02 0.18 2.13 112.91 121.14 1pux h THR 44 Ca 0.04 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1pux h THR 44 Cb 0.37 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1pux h THR 44 CO 0.01 0.37 -0.03 0.50 0.37 0.00 0.00 175.52 176.74 1pux h LYS 45 N 0.41 -0.08 0.00 6.66 3.64 -0.42 -3.18 116.57 123.59 1pux h LYS 45 Ca 0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1pux h LYS 45 Cb 0.60 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1pux h LYS 45 CO 0.04 0.51 0.00 0.39 -2.27 0.00 0.00 179.45 178.12 1pux n GLU 46 N -4.80 0.58 -3.75 1.90 -0.58 0.44 -4.91 120.64 109.51 1pux n GLU 46 Ca -0.08 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.56 1pux n GLU 46 Cb 0.31 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 -1.21 -0.83 -1.94 3.49 1.85 0.72 -4.80 116.66 113.94 1pux n ARG 47 Ca 0.17 -0.36 -0.32 0.00 -1.00 0.00 0.00 57.85 56.33 1pux n ARG 47 Cb 0.20 0.13 0.02 0.00 -1.05 0.00 0.00 32.46 31.76 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 -5.41 3.26 0.00 2.89 0.04 -1.19 -4.85 135.00 129.74 1pux s PRO 48 Ca 0.11 1.11 0.24 0.00 0.04 0.00 0.00 61.00 62.50 1pux s PRO 48 Cb -0.06 -2.03 0.51 0.00 0.04 0.00 0.00 34.50 32.96 1pux s PRO 48 CO 0.23 -0.85 1.44 -0.25 0.04 0.00 0.00 177.00 177.61 1pux n ASP 49 N -2.31 2.65 -3.40 6.66 8.00 -0.39 -4.81 116.55 122.95 1pux n ASP 49 Ca 0.08 -1.86 0.02 0.00 0.71 0.00 0.00 54.79 53.74 1pux n ASP 49 Cb 0.53 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1pux n ASP 49 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1pux s LEU 50 N -1.77 -0.80 -0.08 0.64 1.98 -1.15 -4.82 118.68 112.68 1pux s LEU 50 Ca 0.34 0.92 0.04 0.00 -2.89 0.00 0.00 54.13 52.54 1pux s LEU 50 Cb 0.21 1.84 0.00 0.00 0.66 0.00 0.00 46.19 48.90 1pux s LEU 50 CO 0.30 -0.15 -0.20 0.54 -1.89 0.00 0.00 176.35 174.95 1pux s VAL 51 N 2.67 1.72 -0.14 1.68 0.11 -1.23 -0.28 120.40 124.94 1pux s VAL 51 Ca -0.00 -0.83 -0.05 0.00 -2.93 0.00 0.00 61.98 58.16 1pux s VAL 51 Cb -0.09 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1pux s VAL 51 CO -0.17 0.49 0.05 -0.22 -3.33 0.00 0.00 175.10 171.91 1pux s LEU 52 N 0.40 3.78 0.02 2.54 0.20 0.17 -0.49 118.68 125.30 1pux s LEU 52 Ca -0.16 0.14 -0.00 0.00 0.69 0.00 0.00 54.13 54.80 1pux s LEU 52 Cb -0.17 -1.92 -0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1pux s LEU 52 CO 0.07 0.27 -0.03 -0.22 -0.29 0.00 0.00 176.35 176.15 1pux s LEU 53 N -0.23 2.27 -0.11 -0.68 0.20 -0.66 0.10 118.68 119.57 1pux s LEU 53 Ca 0.07 -0.57 -0.01 0.00 0.69 0.00 0.00 54.13 54.31 1pux s LEU 53 Cb -0.12 0.13 -0.03 0.00 -0.43 0.00 0.00 46.19 45.74 1pux s LEU 53 CO 0.02 -0.35 -0.05 -0.62 -0.29 0.00 0.00 176.35 175.06 1pux s ASP 54 N -1.68 4.79 0.07 3.68 2.15 -1.19 -2.79 116.67 121.69 1pux s ASP 54 Ca -0.13 -0.04 -0.35 0.00 0.43 0.00 0.00 52.55 52.46 1pux s ASP 54 Cb -0.07 -1.47 -0.18 0.00 -0.30 0.00 0.00 42.92 40.89 1pux s ASP 54 CO -0.02 0.29 1.54 0.24 -0.17 0.00 0.00 175.17 177.04 1pux h MET 55 N 5.83 -1.09 -6.50 4.34 2.86 -1.91 -3.41 114.93 115.04 1pux h MET 55 Ca -0.42 0.07 -0.53 0.00 -2.06 0.00 0.00 59.70 56.77 1pux h MET 55 Cb 1.18 0.25 0.03 0.00 0.06 0.00 0.00 31.60 33.12 1pux h MET 55 CO 0.57 -0.73 0.93 0.15 1.06 0.00 0.00 176.91 178.89 1pux s LYS 56 N -5.77 4.22 0.15 1.72 1.02 -1.26 -2.16 119.74 117.66 1pux s LYS 56 Ca -0.18 2.30 -0.20 0.00 0.02 0.00 0.00 55.97 57.91 1pux s LYS 56 Cb 0.03 -3.42 0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1pux s LYS 56 CO 0.57 -0.66 0.52 0.96 -0.92 0.00 0.00 175.35 175.82 1pux s ILE 57 N 2.02 0.03 -0.03 2.17 -4.36 -1.26 -4.83 121.20 114.94 1pux s ILE 57 Ca 0.71 -0.31 -0.30 0.00 -0.26 0.00 0.00 60.65 60.49 1pux s ILE 57 Cb -0.40 -1.15 -0.04 0.00 1.25 0.00 0.00 42.46 42.12 1pux s ILE 57 CO 0.31 -0.12 1.21 -2.16 0.24 0.00 0.00 174.94 174.42 1pux s PRO 58 N -3.79 4.36 0.16 0.37 0.04 -1.26 -4.56 135.00 130.32 1pux s PRO 58 Ca 0.03 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1pux s PRO 58 Cb -0.00 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1pux s PRO 58 CO -0.11 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1pux n GLY 59 N 3.35 -5.02 2.44 0.56 0.00 -1.26 -4.89 105.19 100.38 1pux n GLY 59 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 1.93 -4.61 -1.22 1.61 0.00 -1.26 -5.00 117.12 108.57 1pux n MET 60 Ca 0.00 3.44 -0.30 0.00 -0.00 0.00 0.00 57.70 60.84 1pux n MET 60 Cb 0.00 -4.75 0.24 0.00 0.00 0.00 0.00 33.22 28.70 1pux n MET 60 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1pux s ASP 61 N -0.61 1.15 -0.48 6.12 1.47 -1.26 -4.77 116.67 118.29 1pux s ASP 61 Ca -0.18 0.52 0.03 0.00 1.18 0.00 0.00 52.55 54.11 1pux s ASP 61 Cb 0.01 -0.69 0.62 0.00 -0.34 0.00 0.00 42.92 42.52 1pux s ASP 61 CO 0.48 -3.97 1.91 0.61 0.68 0.00 0.00 175.17 174.88 1pux n GLY 62 N -1.43 4.80 0.07 2.12 0.00 -0.92 -4.38 105.19 105.45 1pux n GLY 62 Ca 0.14 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 1.01 1.63 0.00 -0.61 2.04 -1.92 -2.98 117.51 116.68 1pux h ILE 63 Ca 0.61 -2.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 1pux h ILE 63 Cb 2.42 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 41.59 1pux h ILE 63 CO 1.15 0.55 -0.79 -0.33 0.00 0.00 0.00 178.15 178.74 1pux h GLU 64 N -1.00 0.00 0.54 2.37 4.39 -1.99 -3.01 114.58 115.88 1pux h GLU 64 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1pux h GLU 64 Cb 0.95 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1pux h GLU 64 CO -0.01 0.15 -0.26 0.82 -1.16 0.00 0.00 179.01 178.55 1pux h ILE 65 N 0.00 0.00 0.00 3.13 2.04 -1.77 0.15 117.51 121.06 1pux h ILE 65 Ca -0.04 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1pux h ILE 65 Cb 1.20 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1pux h ILE 65 CO 0.02 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 178.10 1pux h LEU 66 N -0.99 0.00 0.40 1.44 4.07 -1.68 0.15 115.31 118.70 1pux h LEU 66 Ca -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1pux h LEU 66 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1pux h LEU 66 CO 0.12 0.01 -0.19 0.11 -1.08 0.00 0.00 178.44 177.41 1pux h LYS 67 N 0.00 -0.52 -0.35 1.13 1.57 -1.42 -1.74 116.57 115.24 1pux h LYS 67 Ca -0.00 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1pux h LYS 67 Cb 0.01 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1pux h LYS 67 CO 0.00 -0.35 0.27 0.00 -0.57 0.00 0.00 179.45 178.81 1pux h ARG 68 N -0.68 0.00 0.28 3.15 3.08 -0.45 0.62 114.38 120.38 1pux h ARG 68 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1pux h ARG 68 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1pux h ARG 68 CO 0.09 0.00 -0.13 0.52 -1.07 0.00 0.00 179.97 179.38 1pux h MET 69 N 0.00 -0.36 -0.05 0.04 2.86 -0.56 0.63 114.93 117.49 1pux h MET 69 Ca 0.17 0.02 -0.25 0.00 -2.06 0.00 0.00 59.70 57.58 1pux h MET 69 Cb 0.71 0.08 0.02 0.00 0.06 0.00 0.00 31.60 32.47 1pux h MET 69 CO -0.00 -0.17 -0.94 1.57 1.06 0.00 0.00 176.91 178.42 1pux h LYS 70 N -0.47 0.71 0.00 1.72 5.09 -0.38 -2.63 116.57 120.62 1pux h LYS 70 Ca -0.04 -0.70 -0.02 0.00 0.09 0.00 0.00 60.65 59.98 1pux h LYS 70 Cb 0.35 0.18 -0.00 0.00 0.10 0.00 0.00 32.23 32.86 1pux h LYS 70 CO 0.06 1.29 -0.10 0.28 -2.09 0.00 0.00 179.45 178.89 1pux h VAL 71 N 0.44 0.91 -0.08 0.07 2.07 0.27 -1.20 116.25 118.72 1pux h VAL 71 Ca -0.10 -0.37 -0.22 0.00 0.82 0.00 0.00 66.70 66.83 1pux h VAL 71 Cb 1.59 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1pux h VAL 71 CO 0.19 0.10 -0.84 0.40 0.02 0.00 0.00 177.57 177.44 1pux h ILE 72 N 0.00 1.33 -2.49 4.57 1.08 0.41 -3.47 117.51 118.94 1pux h ILE 72 Ca -0.00 -2.15 -0.02 0.00 -0.39 0.00 0.00 64.86 62.31 1pux h ILE 72 Cb 0.20 2.16 -0.15 0.00 -3.07 0.00 0.00 36.82 35.95 1pux h ILE 72 CO 0.01 0.66 0.25 -1.81 -0.69 0.00 0.00 178.15 176.58 1pux s ASP 73 N -7.10 -0.57 -0.00 1.72 1.01 -0.45 -5.04 116.67 106.24 1pux s ASP 73 Ca -0.08 0.28 0.16 0.00 0.71 0.00 0.00 52.55 53.62 1pux s ASP 73 Cb 0.09 0.54 -0.19 0.00 1.01 0.00 0.00 42.92 44.37 1pux s ASP 73 CO 0.88 -0.77 0.62 -1.84 0.21 0.00 0.00 175.17 174.28 1pux n GLU 74 N 0.16 1.44 0.19 8.23 0.28 -1.24 -3.98 120.64 125.71 1pux n GLU 74 Ca -0.16 -0.03 0.14 0.00 -0.16 0.00 0.00 57.16 56.94 1pux n GLU 74 Cb 0.61 -1.29 0.45 0.00 1.43 0.00 0.00 31.44 32.64 1pux n GLU 74 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 1pux h ASN 75 N 0.00 0.00 -3.16 -1.84 7.08 -1.95 -3.44 115.58 112.28 1pux h ASN 75 Ca 0.00 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.69 1pux h ASN 75 Cb 0.45 0.00 0.04 0.00 -2.08 0.00 0.00 38.32 36.73 1pux h ASN 75 CO 0.00 0.00 0.74 -0.51 -2.08 0.00 0.00 177.43 175.58 1pux s ILE 76 N -3.33 3.04 -0.26 6.14 2.07 -1.26 -5.00 121.20 122.60 1pux s ILE 76 Ca 0.06 0.80 0.02 0.00 -1.41 0.00 0.00 60.65 60.12 1pux s ILE 76 Cb 0.09 -3.51 0.06 0.00 0.13 0.00 0.00 42.46 39.22 1pux s ILE 76 CO 0.55 0.09 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.96 1pux s ARG 77 N 0.47 2.33 0.01 3.50 3.52 -1.26 -4.97 118.95 122.53 1pux s ARG 77 Ca 0.62 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1pux s ARG 77 Cb -0.39 -2.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1pux s ARG 77 CO 0.35 -0.54 -0.02 0.54 -0.81 0.00 0.00 175.30 174.83 1pux s VAL 78 N 1.13 0.09 -0.06 7.11 0.11 -1.26 -3.47 120.40 124.05 1pux s VAL 78 Ca -0.07 -0.29 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 1pux s VAL 78 Cb -0.19 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1pux s VAL 78 CO -0.05 -0.13 0.10 -0.63 -3.33 0.00 0.00 175.10 171.06 1pux s ILE 79 N -0.43 5.02 0.14 7.04 1.01 0.35 -3.45 121.20 130.89 1pux s ILE 79 Ca -0.04 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1pux s ILE 79 Cb -0.03 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1pux s ILE 79 CO -0.00 0.48 0.07 0.27 0.00 0.00 0.00 174.94 175.75 1pux s ILE 80 N -1.11 4.22 -0.03 2.92 -5.25 -1.17 -1.66 121.20 119.11 1pux s ILE 80 Ca 0.19 -1.10 -0.02 0.00 -0.99 0.00 0.00 60.65 58.74 1pux s ILE 80 Cb -0.12 -3.10 0.02 0.00 2.95 0.00 0.00 42.46 42.21 1pux s ILE 80 CO 0.10 -0.03 0.07 0.00 -1.79 0.00 0.00 174.94 173.29 1pux s MET 81 N -2.80 0.04 0.00 0.37 0.23 -1.12 -1.80 119.30 114.23 1pux s MET 81 Ca 0.29 0.18 0.00 0.00 -1.03 0.00 0.00 55.69 55.13 1pux s MET 81 Cb -0.11 -0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.09 1pux s MET 81 CO 0.21 -0.09 0.00 -2.37 -2.03 0.00 0.00 175.02 170.74 1pux n THR 82 N 3.66 0.00 -0.92 3.16 5.66 0.17 -3.57 114.28 122.44 1pux n THR 82 Ca -0.20 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.47 1pux n THR 82 Cb 0.55 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.46 1pux n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pux n ALA 83 N -0.23 -1.07 -0.83 1.79 0.00 -1.26 -3.73 120.51 115.18 1pux n ALA 83 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1pux n ALA 83 Cb 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.27 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 -3.55 0.09 0.07 0.00 0.18 -1.26 -3.72 117.16 108.97 1pux n TYR 84 Ca 0.11 -1.34 0.08 0.00 1.88 0.00 0.00 57.90 58.62 1pux n TYR 84 Cb 0.52 -1.18 -0.12 0.00 -0.38 0.00 0.00 39.34 38.18 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 2.04 -0.67 2.58 -7.48 0.00 -1.26 -4.59 105.19 95.81 1pux n GLY 85 Ca 0.27 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.95 2.47 -0.37 1.61 0.28 -1.24 -4.88 120.64 116.54 1pux n GLU 86 Ca -0.02 -4.10 0.29 0.00 -0.16 0.00 0.00 57.16 53.17 1pux n GLU 86 Cb 0.38 -1.91 0.56 0.00 1.43 0.00 0.00 31.44 31.90 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 2.83 0.38 -0.80 -1.84 3.38 -1.84 0.96 115.31 118.37 1pux h LEU 87 Ca 0.13 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.45 1pux h LEU 87 Cb 0.91 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.65 1pux h LEU 87 CO 0.71 -0.14 0.14 0.44 0.09 0.00 0.00 178.44 179.68 1pux h ASP 88 N 0.22 -0.13 0.18 -0.43 3.32 -1.99 1.76 116.42 119.35 1pux h ASP 88 Ca 0.75 0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.98 1pux h ASP 88 Cb 2.03 0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.87 1pux h ASP 88 CO -0.49 -0.14 -0.09 -0.03 -1.72 0.00 0.00 179.24 176.78 1pux h MET 89 N 0.18 -0.23 -0.81 3.56 4.05 0.52 -3.00 114.93 119.21 1pux h MET 89 Ca 0.47 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 60.07 1pux h MET 89 Cb 0.88 0.05 -0.10 0.00 -0.80 0.00 0.00 31.60 31.63 1pux h MET 89 CO -0.63 0.16 0.34 0.82 0.23 0.00 0.00 176.91 177.83 1pux h ILE 90 N -0.90 0.61 0.03 1.77 2.04 -0.70 -0.31 117.51 120.04 1pux h ILE 90 Ca -0.02 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1pux h ILE 90 Cb 0.50 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1pux h ILE 90 CO 0.04 0.08 -0.42 1.56 0.00 0.00 0.00 178.15 179.41 1pux h GLN 91 N 0.45 -0.57 -0.95 2.37 1.08 0.26 -0.51 115.11 117.23 1pux h GLN 91 Ca 0.46 0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.82 1pux h GLN 91 Cb 0.75 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 28.24 1pux h GLN 91 CO -0.44 -0.38 0.61 0.93 -0.95 0.00 0.00 178.83 178.59 1pux h GLU 92 N -0.59 0.87 -0.92 1.46 5.08 -1.05 0.11 114.58 119.54 1pux h GLU 92 Ca 0.04 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1pux h GLU 92 Cb 0.66 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1pux h GLU 92 CO -0.30 0.58 0.59 0.66 -1.00 0.00 0.00 179.01 179.54 1pux h SER 93 N 0.90 0.78 0.16 1.42 4.64 0.46 1.06 113.55 122.96 1pux h SER 93 Ca 0.47 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.82 1pux h SER 93 Cb 0.53 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1pux h SER 93 CO -0.23 0.42 -0.07 0.50 -0.87 0.00 0.00 176.83 176.58 1pux h LYS 94 N 0.84 -0.20 0.00 4.77 3.64 0.13 -2.14 116.57 123.61 1pux h LYS 94 Ca 0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1pux h LYS 94 Cb 0.55 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1pux h LYS 94 CO -0.21 0.20 0.00 -0.85 -2.27 0.00 0.00 179.45 176.32 1pux n GLU 95 N -4.98 0.05 0.20 1.90 -0.00 -0.73 -0.95 120.64 116.13 1pux n GLU 95 Ca -0.09 0.38 0.13 0.00 -0.00 0.00 0.00 57.16 57.59 1pux n GLU 95 Cb 0.25 -1.62 0.30 0.00 -0.00 0.00 0.00 31.44 30.38 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 0.14 -3.47 115.31 114.22 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 0.99 1.64 3.78 0.83 0.00 -0.12 -4.70 105.19 107.62 1pux n GLY 97 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 3.15 0.10 4.61 0.00 -0.83 -4.82 121.76 121.97 1pux s ALA 98 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.30 1pux s ALA 98 Cb 0.00 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 1pux s ALA 98 CO 0.00 0.02 1.69 -0.07 0.00 0.00 0.00 175.76 177.40 1pux h LEU 99 N 2.82 -0.33 -7.00 0.00 -0.00 -1.88 -3.45 115.31 105.46 1pux h LEU 99 Ca -0.48 0.04 0.07 0.00 -0.00 0.00 0.00 57.88 57.51 1pux h LEU 99 Cb 1.20 0.12 -0.18 0.00 -0.00 0.00 0.00 40.66 41.80 1pux h LEU 99 CO 0.64 -0.19 0.45 0.28 -0.00 0.00 0.00 178.44 179.61 1pux s THR 100 N -6.14 0.00 -0.24 0.22 -1.32 -1.26 -5.02 115.64 101.88 1pux s THR 100 Ca -0.14 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.28 1pux s THR 100 Cb 0.07 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 1pux s THR 100 CO 0.66 0.00 0.01 -1.38 -2.21 0.00 0.00 174.62 171.70 1pux s HIS 101 N -2.20 3.03 0.19 9.09 -3.43 -1.26 -3.06 115.29 117.65 1pux s HIS 101 Ca 0.00 -0.73 0.06 0.00 -0.80 0.00 0.00 55.06 53.58 1pux s HIS 101 Cb -0.01 -2.17 -0.04 0.00 -1.43 0.00 0.00 32.58 28.93 1pux s HIS 101 CO -0.03 -0.47 0.15 -0.06 -2.00 0.00 0.00 174.74 172.33 1pux s PHE 102 N 1.54 3.14 0.08 0.38 0.08 -0.74 -4.99 117.98 117.46 1pux s PHE 102 Ca 0.06 -0.04 0.07 0.00 0.12 0.00 0.00 56.93 57.13 1pux s PHE 102 Cb -0.15 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1pux s PHE 102 CO 0.00 0.52 -0.11 0.00 -0.10 0.00 0.00 175.22 175.53 1pux s ALA 103 N -1.86 2.91 0.06 5.36 0.00 -1.24 0.42 121.76 127.41 1pux s ALA 103 Ca 0.31 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 1pux s ALA 103 Cb -0.09 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1pux s ALA 103 CO 0.24 0.63 0.56 1.63 0.00 0.00 0.00 175.76 178.81 1pux n LYS 104 N 0.94 -0.15 -2.31 0.00 5.02 -1.26 -2.37 118.16 118.02 1pux n LYS 104 Ca -0.14 0.55 -0.34 0.00 -2.02 0.00 0.00 58.31 56.36 1pux n LYS 104 Cb 0.52 -0.81 -0.04 0.00 -0.02 0.00 0.00 35.03 34.69 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 -5.07 3.10 0.20 1.97 0.04 -1.26 -4.94 135.00 129.05 1pux s PRO 105 Ca -0.04 -0.81 0.11 0.00 0.04 0.00 0.00 61.00 60.30 1pux s PRO 105 Cb 0.04 -5.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 1pux s PRO 105 CO 0.22 -2.81 -0.22 -0.59 0.04 0.00 0.00 177.00 173.63 1pux s PHE 106 N 7.48 2.19 -0.02 0.56 -0.12 -1.00 -5.14 117.98 121.92 1pux s PHE 106 Ca 0.58 -0.38 -0.00 0.00 -0.05 0.00 0.00 56.93 57.08 1pux s PHE 106 Cb -0.03 -1.06 -0.04 0.00 -0.63 0.00 0.00 43.02 41.27 1pux s PHE 106 CO -0.04 0.50 0.05 0.34 -0.05 0.00 0.00 175.22 176.02 1pux s ASP 107 N -2.83 5.47 0.22 1.98 -1.08 -1.26 -5.00 116.67 114.18 1pux s ASP 107 Ca 0.21 0.11 0.10 0.00 -0.52 0.00 0.00 52.55 52.46 1pux s ASP 107 Cb -0.07 -1.54 0.13 0.00 -1.46 0.00 0.00 42.92 39.99 1pux s ASP 107 CO 0.10 0.30 1.47 0.40 0.52 0.00 0.00 175.17 177.96 1pux h ILE 108 N 3.47 1.44 -0.04 4.11 1.08 -2.01 -1.44 117.51 124.12 1pux h ILE 108 Ca -0.50 -2.60 -0.09 0.00 -0.39 0.00 0.00 64.86 61.28 1pux h ILE 108 Cb 1.18 2.44 0.01 0.00 -3.07 0.00 0.00 36.82 37.38 1pux h ILE 108 CO 0.59 0.72 -0.34 -0.78 -0.69 0.00 0.00 178.15 177.66 1pux h ASP 109 N 0.00 0.37 0.29 1.72 3.58 -2.00 -2.88 116.42 117.50 1pux h ASP 109 Ca -0.01 -0.69 -0.07 0.00 0.42 0.00 0.00 57.03 56.69 1pux h ASP 109 Cb 1.38 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 1pux h ASP 109 CO 0.10 1.00 -0.31 1.05 -2.88 0.00 0.00 179.24 178.20 1pux h GLU 110 N -0.23 0.03 0.00 0.28 4.11 -1.97 -1.49 114.58 115.31 1pux h GLU 110 Ca -0.03 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 1pux h GLU 110 Cb 1.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1pux h GLU 110 CO 0.07 0.34 -0.21 0.82 0.07 0.00 0.00 179.01 180.10 1pux h ILE 111 N 0.03 0.68 0.00 -1.06 2.04 -1.23 -1.97 117.51 116.01 1pux h ILE 111 Ca 0.00 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1pux h ILE 111 Cb 0.56 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1pux h ILE 111 CO 0.04 0.20 -0.03 0.03 0.00 0.00 0.00 178.15 178.40 1pux h ARG 112 N 0.00 0.00 0.13 2.37 3.08 -1.04 0.12 114.38 119.04 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1pux h ARG 112 CO 0.03 0.03 -0.06 0.22 -1.07 0.00 0.00 179.97 179.11 1pux h ASP 113 N 0.00 -0.15 -0.45 7.04 3.58 -1.45 -3.18 116.42 121.81 1pux h ASP 113 Ca -0.00 -0.31 0.09 0.00 0.42 0.00 0.00 57.03 57.23 1pux h ASP 113 Cb 0.07 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1pux h ASP 113 CO 0.00 0.45 0.31 0.00 -2.88 0.00 0.00 179.24 177.12 1pux h ALA 114 N -0.57 2.14 -0.87 -0.78 0.00 -1.50 0.57 119.26 118.24 1pux h ALA 114 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1pux h ALA 114 Cb 0.44 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1pux h ALA 114 CO 0.03 -0.24 0.52 0.28 0.00 0.00 0.00 179.25 179.84 1pux h VAL 115 N 0.21 0.94 -0.46 0.00 2.07 -0.79 1.62 116.25 119.84 1pux h VAL 115 Ca 0.21 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1pux h VAL 115 Cb 0.54 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1pux h VAL 115 CO -0.04 0.16 0.66 0.50 0.02 0.00 0.00 177.57 178.87 1pux h LYS 116 N 0.88 0.00 0.00 1.57 3.64 -0.86 2.02 116.57 123.82 1pux h LYS 116 Ca 0.42 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.64 1pux h LYS 116 Cb 0.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1pux h LYS 116 CO -0.24 0.00 -1.61 0.36 -2.27 0.00 0.00 179.45 175.69 1pux n LYS 117 N -3.35 2.47 0.23 1.90 2.85 0.12 -4.49 118.16 117.88 1pux n LYS 117 Ca 0.09 -0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 1pux n LYS 117 Cb 0.83 -1.23 0.42 0.00 -0.65 0.00 0.00 35.03 34.40 1pux n LYS 117 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1pux h TYR 118 N 0.00 0.00 0.00 5.58 5.03 0.56 -3.47 116.97 124.67 1pux h TYR 118 Ca -0.24 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.07 1pux h TYR 118 Cb 1.52 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.80 1pux h TYR 118 CO 0.00 0.16 0.00 -0.11 -1.32 0.00 0.00 178.16 176.89 1pux n LEU 119 N -3.25 0.00 -2.90 2.82 -0.00 0.65 -4.67 117.00 109.65 1pux n LEU 119 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.79 1pux n LEU 119 Cb 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.82 1pux n LEU 119 CO 0.33 0.00 2.37 -0.81 -0.00 0.00 0.00 177.39 179.28 1pux n PRO 120 N -0.47 2.40 -2.66 1.96 -0.04 -1.26 -3.82 135.00 131.12 1pux n PRO 120 Ca 0.00 -1.47 -0.24 0.00 -0.04 0.00 0.00 63.50 61.76 1pux n PRO 120 Cb 0.00 -2.38 0.03 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.36 -0.46 1.53 2.96 -1.26 -4.95 118.68 119.94 1pux s LEU 121 Ca 0.52 0.36 -0.46 0.00 -0.22 0.00 0.00 54.13 54.33 1pux s LEU 121 Cb 0.17 -3.20 -0.19 0.00 0.50 0.00 0.00 46.19 43.47 1pux s LEU 121 CO -0.03 -1.00 1.63 1.17 -1.32 0.00 0.00 176.35 176.80 1pux n LYS 122 N -2.37 0.19 -3.55 1.98 3.00 -1.26 -4.88 118.16 111.26 1pux n LYS 122 Ca 0.04 0.07 -0.35 0.00 -0.00 0.00 0.00 58.31 58.07 1pux n LYS 122 Cb 0.58 -1.60 -0.06 0.00 0.00 0.00 0.00 35.03 33.96 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 3.12 6.68 0.00 3.14 0.01 -1.26 -5.03 113.70 120.36 1pux s SER 123 Ca 1.04 0.83 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1pux s SER 123 Cb -1.43 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 62.60 1pux s SER 123 CO 0.79 0.20 0.04 -3.20 0.41 0.00 0.00 173.24 171.48