#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pux s MET 2 N 0.00 1.92 0.36 0.03 0.00 -1.26 -5.10 119.30 115.25 1pux s MET 2 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 55.69 54.32 1pux s MET 2 Cb 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 34.83 35.36 1pux s MET 2 CO 0.00 -0.85 0.10 0.09 0.00 0.00 0.00 175.02 174.36 1pux n ASN 3 N -1.01 1.61 -1.78 1.11 3.02 -1.26 -5.04 115.26 111.92 1pux n ASN 3 Ca -0.04 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 1pux n ASN 3 Cb 0.61 0.74 0.00 0.00 -0.61 0.00 0.00 39.78 40.52 1pux n ASN 3 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pux n GLU 4 N -0.83 -5.07 -4.08 3.52 2.13 -1.26 -4.21 120.64 110.84 1pux n GLU 4 Ca -0.08 3.73 -0.07 0.00 0.66 0.00 0.00 57.16 61.41 1pux n GLU 4 Cb 0.52 -4.17 -0.10 0.00 0.27 0.00 0.00 31.44 27.96 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 -3.05 0.58 -0.06 5.31 -0.14 -1.26 -3.70 119.74 117.41 1pux s LYS 5 Ca 0.00 -1.15 -0.30 0.00 -1.36 0.00 0.00 55.97 53.16 1pux s LYS 5 Cb 0.00 0.20 0.09 0.00 -1.68 0.00 0.00 37.83 36.44 1pux s LYS 5 CO 0.00 -0.10 0.78 0.42 -0.76 0.00 0.00 175.35 175.69 1pux s ILE 6 N -3.64 0.00 0.02 2.17 1.01 -1.18 -2.43 121.20 117.15 1pux s ILE 6 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1pux s ILE 6 Cb 0.06 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1pux s ILE 6 CO -0.09 0.00 -0.11 -0.22 0.00 0.00 0.00 174.94 174.52 1pux s LEU 7 N -1.41 2.12 -0.17 2.97 2.96 0.11 -3.02 118.68 122.24 1pux s LEU 7 Ca -0.06 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1pux s LEU 7 Cb -0.00 -0.48 0.02 0.00 0.50 0.00 0.00 46.19 46.22 1pux s LEU 7 CO 0.04 0.03 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.28 1pux s ILE 8 N -0.66 1.94 -0.06 6.68 1.01 0.68 0.15 121.20 130.93 1pux s ILE 8 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1pux s ILE 8 Cb -0.06 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1pux s ILE 8 CO 0.00 0.52 -0.16 -0.69 0.00 0.00 0.00 174.94 174.62 1pux s VAL 9 N 1.32 1.37 0.26 2.92 1.01 0.69 -1.50 120.40 126.45 1pux s VAL 9 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1pux s VAL 9 Cb -0.13 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1pux s VAL 9 CO -0.12 0.40 0.00 -0.67 0.00 0.00 0.00 175.10 174.71 1pux n ASP 10 N 3.52 -5.52 0.00 3.32 2.03 -1.06 -3.09 116.55 115.75 1pux n ASP 10 Ca -0.21 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1pux n ASP 10 Cb 0.52 -3.25 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 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 -4.31 -3.24 -4.62 1.67 2.03 -1.26 -4.59 116.55 102.23 1pux n ASP 11 Ca -0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 1pux n ASP 11 Cb 0.61 -1.92 -0.02 0.00 -0.72 0.00 0.00 41.12 39.07 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 -0.94 3.74 0.00 -0.67 -2.07 -1.26 -4.57 119.66 113.89 1pux s GLN 12 Ca 0.00 1.22 0.02 0.00 -1.82 0.00 0.00 55.36 54.78 1pux s GLN 12 Cb 0.00 -3.98 0.03 0.00 -1.09 0.00 0.00 33.01 27.97 1pux s GLN 12 CO 0.00 -1.35 0.99 0.98 -1.32 0.00 0.00 175.29 174.59 1pux n TYR 13 N 8.35 0.00 0.00 9.60 4.19 -1.26 -4.95 117.16 133.09 1pux n TYR 13 Ca 0.17 -0.48 0.00 0.00 3.31 0.00 0.00 57.90 60.90 1pux n TYR 13 Cb 0.47 0.44 0.00 0.00 0.49 0.00 0.00 39.34 40.74 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 0.04 0.47 0.13 2.98 0.00 -1.26 -4.92 105.19 102.62 1pux n GLY 14 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.48 1.74 -0.30 -0.61 -0.00 -1.26 -3.58 119.36 113.86 1pux n ILE 15 Ca 0.00 -0.68 0.12 0.00 -0.00 0.00 0.00 62.75 62.19 1pux n ILE 15 Cb 0.00 -1.59 0.35 0.00 -0.00 0.00 0.00 39.64 38.40 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 0.06 0.72 -0.18 0.38 0.11 -1.92 -0.15 114.38 113.39 1pux h ARG 16 Ca -0.41 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.56 1pux h ARG 16 Cb 2.03 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 32.94 1pux h ARG 16 CO 0.08 0.47 -0.16 0.82 0.10 0.00 0.00 179.97 181.29 1pux h ILE 17 N 0.74 1.33 -0.76 0.08 2.04 -1.97 0.18 117.51 119.15 1pux h ILE 17 Ca 0.49 -1.29 0.10 0.00 1.00 0.00 0.00 64.86 65.15 1pux h ILE 17 Cb 0.76 1.77 -0.12 0.00 -0.74 0.00 0.00 36.82 38.49 1pux h ILE 17 CO -0.25 0.39 -0.49 0.25 0.00 0.00 0.00 178.15 178.05 1pux h LEU 18 N 0.09 -1.73 -1.08 1.44 6.46 -1.09 1.55 115.31 120.96 1pux h LEU 18 Ca 0.03 0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 58.03 1pux h LEU 18 Cb 0.68 0.79 -0.01 0.00 -0.73 0.00 0.00 40.66 41.39 1pux h LEU 18 CO 0.04 -0.31 -0.23 0.17 -0.62 0.00 0.00 178.44 177.49 1pux h LEU 19 N -0.14 0.00 0.73 2.25 -0.00 -1.45 -3.07 115.31 113.63 1pux h LEU 19 Ca 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.04 1pux h LEU 19 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.20 1pux h LEU 19 CO -0.81 0.23 -0.35 -1.13 -0.00 0.00 0.00 178.44 176.38 1pux h ASN 20 N 0.00 -0.83 -0.47 0.17 -1.24 0.38 -0.95 115.58 112.64 1pux h ASN 20 Ca -0.00 0.01 0.14 0.00 0.71 0.00 0.00 56.30 57.16 1pux h ASN 20 Cb 0.76 0.21 -0.02 0.00 0.73 0.00 0.00 38.32 40.01 1pux h ASN 20 CO 0.03 -0.47 0.51 -0.08 -1.29 0.00 0.00 177.43 176.14 1pux h GLU 21 N -1.21 0.00 0.38 6.67 4.81 0.13 1.65 114.58 127.00 1pux h GLU 21 Ca -0.10 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1pux h GLU 21 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1pux h GLU 21 CO 0.16 0.00 -0.18 0.28 -0.73 0.00 0.00 179.01 178.54 1pux h VAL 22 N 0.00 0.00 -0.50 0.32 2.07 -1.36 -0.49 116.25 116.29 1pux h VAL 22 Ca 0.23 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1pux h VAL 22 Cb 1.25 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1pux h VAL 22 CO -0.00 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 177.28 1pux h PHE 23 N -1.10 0.95 -0.42 1.57 0.04 0.16 -2.55 116.94 115.58 1pux h PHE 23 Ca -0.05 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.50 1pux h PHE 23 Cb 0.39 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1pux h PHE 23 CO 0.00 0.89 0.00 -0.97 -0.60 0.00 0.00 178.31 177.63 1pux h ASN 24 N 0.80 0.65 -0.11 2.17 -1.24 0.23 -1.23 115.58 116.84 1pux h ASN 24 Ca 0.14 -0.14 0.03 0.00 0.71 0.00 0.00 56.30 57.04 1pux h ASN 24 Cb 0.55 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 1pux h ASN 24 CO 0.03 0.72 0.41 0.11 -1.29 0.00 0.00 177.43 177.41 1pux h LYS 25 N 0.64 0.00 0.00 6.67 1.57 -0.63 1.45 116.57 126.27 1pux h LYS 25 Ca 0.13 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1pux h LYS 25 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1pux h LYS 25 CO 0.01 0.00 -1.47 0.39 -0.57 0.00 0.00 179.45 177.81 1pux n GLU 26 N -3.07 0.63 0.00 3.15 -0.58 -0.48 -4.96 120.64 115.33 1pux n GLU 26 Ca 0.01 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1pux n GLU 26 Cb 0.49 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.30 0.93 3.76 0.62 0.00 0.50 -4.88 105.19 107.41 1pux n GLY 27 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 2.53 -0.36 1.61 2.02 -1.11 -4.80 117.35 115.24 1pux s TYR 28 Ca 0.00 1.47 -0.26 0.00 -0.37 0.00 0.00 57.07 57.91 1pux s TYR 28 Cb 0.00 -3.57 0.01 0.00 -0.40 0.00 0.00 41.96 38.01 1pux s TYR 28 CO 0.00 -2.21 0.91 -1.14 -1.57 0.00 0.00 175.55 171.54 1pux s GLN 29 N -2.93 3.86 -0.01 -0.62 0.74 -1.24 -4.51 119.66 114.94 1pux s GLN 29 Ca 0.70 0.59 0.08 0.00 0.05 0.00 0.00 55.36 56.77 1pux s GLN 29 Cb -0.34 -3.79 -0.02 0.00 1.10 0.00 0.00 33.01 29.96 1pux s GLN 29 CO 0.39 -0.91 -0.24 0.95 -0.55 0.00 0.00 175.29 174.93 1pux s THR 30 N 3.39 1.92 0.27 -0.34 -4.23 -1.26 -3.08 115.64 112.32 1pux s THR 30 Ca 0.37 -1.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.88 1pux s THR 30 Cb -0.12 -1.59 -0.06 0.00 1.34 0.00 0.00 72.50 72.07 1pux s THR 30 CO 0.18 0.52 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.37 1pux s PHE 31 N -0.59 1.86 0.05 3.99 0.40 -1.17 -5.01 117.98 117.52 1pux s PHE 31 Ca 0.09 -0.76 0.06 0.00 -0.60 0.00 0.00 56.93 55.72 1pux s PHE 31 Cb -0.09 -1.08 -0.02 0.00 0.51 0.00 0.00 43.02 42.33 1pux s PHE 31 CO -0.01 0.20 -0.16 -1.14 0.70 0.00 0.00 175.22 174.81 1pux s GLN 32 N -3.76 1.01 0.07 0.44 0.74 -1.25 -0.23 119.66 116.67 1pux s GLN 32 Ca 0.29 -0.86 0.02 0.00 0.05 0.00 0.00 55.36 54.87 1pux s GLN 32 Cb 0.04 -1.06 -0.03 0.00 1.10 0.00 0.00 33.01 33.06 1pux s GLN 32 CO 0.11 0.26 -0.07 0.00 -0.55 0.00 0.00 175.29 175.04 1pux s ALA 33 N -0.94 0.75 -0.35 1.58 0.00 -0.57 -4.98 121.76 117.26 1pux s ALA 33 Ca 0.02 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.01 1pux s ALA 33 Cb -0.09 0.10 0.46 0.00 0.00 0.00 0.00 23.12 23.59 1pux s ALA 33 CO 0.02 -0.12 1.34 0.00 0.00 0.00 0.00 175.76 177.00 1pux n ALA 34 N 0.78 5.21 -3.75 0.00 0.00 -1.26 -2.56 120.51 118.93 1pux n ALA 34 Ca -0.18 -3.72 0.02 0.00 0.00 0.00 0.00 53.44 49.56 1pux n ALA 34 Cb 0.57 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pux n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pux s ASN 35 N -3.27 -0.03 0.06 0.00 2.20 -1.26 -4.83 114.94 107.81 1pux s ASN 35 Ca 0.53 -0.18 0.22 0.00 -0.94 0.00 0.00 52.86 52.49 1pux s ASN 35 Cb 0.43 0.17 -0.20 0.00 -2.00 0.00 0.00 41.25 39.64 1pux s ASN 35 CO 0.03 -0.32 0.71 0.61 -2.94 0.00 0.00 177.10 175.18 1pux n GLY 36 N -0.64 -1.18 0.08 0.45 0.00 -1.26 -3.80 105.19 98.84 1pux n GLY 36 Ca -0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 -2.69 0.99 6.46 -1.96 -3.14 115.31 114.97 1pux h LEU 37 Ca 0.00 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1pux h LEU 37 Cb 1.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1pux h LEU 37 CO 0.00 1.01 0.09 1.56 -0.62 0.00 0.00 178.44 180.48 1pux h GLN 38 N -1.00 0.00 0.00 1.25 4.20 -1.96 0.40 115.11 118.00 1pux h GLN 38 Ca -0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.41 1pux h GLN 38 Cb 0.85 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1pux h GLN 38 CO -0.05 0.00 -1.03 0.00 -0.67 0.00 0.00 178.83 177.07 1pux h ALA 39 N 1.81 0.38 0.08 3.87 0.00 -1.66 -2.07 119.26 121.67 1pux h ALA 39 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 53.97 1pux h ALA 39 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pux h ALA 39 CO 0.00 1.26 -0.04 -0.07 0.00 0.00 0.00 179.25 180.40 1pux h LEU 40 N 0.00 -0.09 -0.02 0.00 3.38 -0.15 1.75 115.31 120.18 1pux h LEU 40 Ca -0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pux h LEU 40 Cb 1.78 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1pux h LEU 40 CO 0.13 -0.01 -0.01 -0.78 0.09 0.00 0.00 178.44 177.86 1pux h ASP 41 N -0.16 0.04 0.06 -0.43 3.58 -1.60 -2.60 116.42 115.31 1pux h ASP 41 Ca -0.01 -0.38 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 1pux h ASP 41 Cb 0.13 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1pux h ASP 41 CO 0.02 0.41 -0.05 0.40 -2.88 0.00 0.00 179.24 177.14 1pux h ILE 42 N -0.32 0.90 -0.01 2.25 1.08 -1.27 0.58 117.51 120.72 1pux h ILE 42 Ca 0.01 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1pux h ILE 42 Cb 0.39 1.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1pux h ILE 42 CO 0.00 0.05 0.00 0.58 -0.69 0.00 0.00 178.15 178.09 1pux h VAL 43 N 0.00 1.05 0.02 1.67 2.07 0.30 0.46 116.25 121.82 1pux h VAL 43 Ca -0.00 -0.13 -0.24 0.00 0.82 0.00 0.00 66.70 67.15 1pux h VAL 43 Cb 0.09 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1pux h VAL 43 CO 0.01 0.04 -1.00 0.74 0.02 0.00 0.00 177.57 177.37 1pux h THR 44 N -0.05 1.39 -0.88 2.57 2.02 -0.99 1.67 112.91 118.65 1pux h THR 44 Ca 0.00 -2.50 -0.01 0.00 0.77 0.00 0.00 66.41 64.67 1pux h THR 44 Cb 0.05 2.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1pux h THR 44 CO -0.00 0.75 0.51 0.50 0.37 0.00 0.00 175.52 177.64 1pux h LYS 45 N 0.23 1.20 -0.01 6.66 3.64 0.31 -2.29 116.57 126.32 1pux h LYS 45 Ca -0.10 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1pux h LYS 45 Cb 1.65 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1pux h LYS 45 CO 0.18 0.86 -0.60 0.39 -2.27 0.00 0.00 179.45 178.00 1pux n GLU 46 N -4.35 1.10 -3.81 1.90 1.02 0.16 -4.98 120.64 111.68 1pux n GLU 46 Ca 0.09 -0.62 -0.12 0.00 -0.02 0.00 0.00 57.16 56.50 1pux n GLU 46 Cb 0.08 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1pux n GLU 46 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1pux n ARG 47 N -0.54 -0.85 -1.85 3.49 1.85 0.57 -4.80 116.66 114.53 1pux n ARG 47 Ca 0.07 -0.38 -0.32 0.00 -1.00 0.00 0.00 57.85 56.22 1pux n ARG 47 Cb 0.39 0.12 0.03 0.00 -1.05 0.00 0.00 32.46 31.94 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 -5.58 3.19 0.00 2.89 0.04 -1.19 -4.91 135.00 129.43 1pux s PRO 48 Ca 0.12 1.07 0.28 0.00 0.04 0.00 0.00 61.00 62.51 1pux s PRO 48 Cb -0.07 -2.02 1.24 0.00 0.04 0.00 0.00 34.50 33.69 1pux s PRO 48 CO 0.24 -0.91 1.84 -0.25 0.04 0.00 0.00 177.00 177.97 1pux n ASP 49 N -2.51 1.03 -3.60 6.66 9.92 -1.02 -4.83 116.55 122.20 1pux n ASP 49 Ca 0.08 -1.39 -0.11 0.00 -0.53 0.00 0.00 54.79 52.84 1pux n ASP 49 Cb 0.53 -0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.94 1pux n ASP 49 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1pux s LEU 50 N -1.92 -0.48 -0.01 0.64 1.98 -1.23 -4.80 118.68 112.87 1pux s LEU 50 Ca 0.39 0.76 0.02 0.00 -2.89 0.00 0.00 54.13 52.41 1pux s LEU 50 Cb 0.20 2.02 -0.00 0.00 0.66 0.00 0.00 46.19 49.07 1pux s LEU 50 CO 0.33 -0.28 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.74 1pux s VAL 51 N -0.38 0.59 -0.43 1.68 1.01 -1.24 -0.71 120.40 120.92 1pux s VAL 51 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1pux s VAL 51 Cb -0.03 -0.51 0.10 0.00 0.00 0.00 0.00 36.38 35.95 1pux s VAL 51 CO -0.01 0.17 0.27 -0.22 0.00 0.00 0.00 175.10 175.32 1pux s LEU 52 N -0.11 5.35 -0.00 3.92 0.20 0.40 -1.65 118.68 126.79 1pux s LEU 52 Ca 0.02 -1.77 0.08 0.00 0.69 0.00 0.00 54.13 53.15 1pux s LEU 52 Cb -0.04 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1pux s LEU 52 CO -0.00 -0.59 -0.25 -0.22 -0.29 0.00 0.00 176.35 175.00 1pux s LEU 53 N 1.33 2.17 0.21 -0.68 1.98 -0.83 0.25 118.68 123.12 1pux s LEU 53 Ca 0.05 -0.47 0.09 0.00 -2.89 0.00 0.00 54.13 50.91 1pux s LEU 53 Cb -0.24 -1.36 -0.04 0.00 0.66 0.00 0.00 46.19 45.21 1pux s LEU 53 CO -0.00 0.31 -0.04 -0.62 -1.89 0.00 0.00 176.35 174.10 1pux s ASP 54 N -0.81 4.48 0.00 3.68 -1.08 -1.18 -2.66 116.67 119.10 1pux s ASP 54 Ca 0.11 -0.57 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 1pux s ASP 54 Cb -0.10 -0.83 0.00 0.00 -1.46 0.00 0.00 42.92 40.52 1pux s ASP 54 CO 0.00 0.06 0.73 0.23 0.52 0.00 0.00 175.17 176.71 1pux n MET 55 N -0.36 0.00 -1.70 4.34 2.81 -1.23 -4.62 117.12 116.36 1pux n MET 55 Ca -0.09 0.44 -0.57 0.00 -1.81 0.00 0.00 57.70 55.68 1pux n MET 55 Cb 0.57 -1.33 -0.07 0.00 -0.71 0.00 0.00 33.22 31.68 1pux n MET 55 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1pux n LYS 56 N -1.82 1.25 -3.88 0.03 4.81 -1.26 -2.02 118.16 115.27 1pux n LYS 56 Ca 0.00 0.46 -0.10 0.00 -0.87 0.00 0.00 58.31 57.80 1pux n LYS 56 Cb 0.00 -2.17 -0.09 0.00 0.02 0.00 0.00 35.03 32.80 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 3.73 0.12 -0.02 3.15 1.01 -1.26 -4.70 121.20 123.23 1pux s ILE 57 Ca 0.98 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 1pux s ILE 57 Cb -1.03 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1pux s ILE 57 CO 0.64 -0.55 1.21 -2.16 0.00 0.00 0.00 174.94 174.08 1pux s PRO 58 N -2.65 4.37 -0.17 2.79 0.04 -1.26 -4.16 135.00 133.97 1pux s PRO 58 Ca -0.05 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 1pux s PRO 58 Cb -0.01 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 31.07 1pux s PRO 58 CO -0.04 -0.40 0.23 0.41 0.04 0.00 0.00 177.00 177.23 1pux n GLY 59 N 3.34 -5.13 2.34 0.56 0.00 -1.26 -4.83 105.19 100.20 1pux n GLY 59 Ca 0.10 1.61 -0.03 0.00 0.00 0.00 0.00 46.02 47.71 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 1.56 -3.08 -0.61 1.61 0.00 -1.26 -4.97 117.12 110.37 1pux n MET 60 Ca -0.39 2.50 -0.22 0.00 -0.00 0.00 0.00 57.70 59.59 1pux n MET 60 Cb 0.60 -4.10 0.13 0.00 0.00 0.00 0.00 33.22 29.86 1pux n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1pux n ASP 61 N 0.96 -2.82 -1.29 6.12 8.00 -1.26 -4.80 116.55 121.46 1pux n ASP 61 Ca -0.19 -0.28 -0.01 0.00 0.71 0.00 0.00 54.79 55.01 1pux n ASP 61 Cb 0.30 -0.77 0.16 0.00 -0.02 0.00 0.00 41.12 40.79 1pux n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pux n GLY 62 N 2.48 2.51 0.11 0.44 0.00 -0.86 -4.16 105.19 105.71 1pux n GLY 62 Ca 0.04 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 1.43 1.36 0.05 -0.61 2.04 -1.87 -1.67 117.51 118.25 1pux h ILE 63 Ca 0.09 -1.26 -0.31 0.00 1.00 0.00 0.00 64.86 64.39 1pux h ILE 63 Cb 1.41 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.45 1pux h ILE 63 CO 0.32 0.36 -1.69 -0.33 0.00 0.00 0.00 178.15 176.81 1pux h GLU 64 N -0.18 0.11 0.43 2.37 4.39 -1.94 -2.98 114.58 116.77 1pux h GLU 64 Ca 0.01 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1pux h GLU 64 Cb 0.62 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1pux h GLU 64 CO 0.02 0.81 -0.28 0.82 -1.16 0.00 0.00 179.01 179.22 1pux h ILE 65 N 0.03 0.42 -0.77 3.13 2.04 -1.74 0.14 117.51 120.75 1pux h ILE 65 Ca -0.29 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1pux h ILE 65 Cb 2.00 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1pux h ILE 65 CO 0.10 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.50 1pux h LEU 66 N -0.69 1.06 0.17 1.44 -0.00 -1.47 -0.93 115.31 114.90 1pux h LEU 66 Ca -0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1pux h LEU 66 Cb 0.57 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.93 1pux h LEU 66 CO 0.03 0.93 -0.42 0.11 -0.00 0.00 0.00 178.44 179.10 1pux h LYS 67 N 1.11 -0.62 -0.70 1.13 1.57 -1.29 -0.33 116.57 117.44 1pux h LYS 67 Ca 0.26 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.20 1pux h LYS 67 Cb 0.19 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1pux h LYS 67 CO -0.02 -0.42 0.47 0.00 -0.57 0.00 0.00 179.45 178.91 1pux h ARG 68 N -0.65 0.45 0.23 3.15 3.08 -0.61 0.34 114.38 120.37 1pux h ARG 68 Ca -0.02 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1pux h ARG 68 Cb 0.62 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1pux h ARG 68 CO -0.18 0.30 -0.35 1.98 -1.07 0.00 0.00 179.97 180.64 1pux h MET 69 N 0.46 -0.63 -0.25 0.04 4.05 0.32 1.58 114.93 120.51 1pux h MET 69 Ca 0.34 0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.68 1pux h MET 69 Cb 0.67 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 1pux h MET 69 CO -0.11 -0.42 -0.31 1.57 0.23 0.00 0.00 176.91 177.87 1pux h LYS 70 N -0.66 0.65 -0.13 0.39 5.09 -0.47 0.11 116.57 121.56 1pux h LYS 70 Ca 0.00 -0.37 0.02 0.00 0.09 0.00 0.00 60.65 60.40 1pux h LYS 70 Cb 0.64 0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.99 1pux h LYS 70 CO -0.14 0.98 0.09 0.28 -2.09 0.00 0.00 179.45 178.57 1pux h VAL 71 N 0.37 0.98 0.01 0.07 2.07 -0.09 -2.47 116.25 117.19 1pux h VAL 71 Ca 0.03 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pux h VAL 71 Cb 0.88 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1pux h VAL 71 CO 0.07 0.02 -0.01 0.40 0.02 0.00 0.00 177.57 178.07 1pux h ILE 72 N 0.08 1.34 -3.74 4.57 1.08 0.26 -3.46 117.51 117.64 1pux h ILE 72 Ca 0.06 -1.91 -0.49 0.00 -0.39 0.00 0.00 64.86 62.13 1pux h ILE 72 Cb 0.13 2.49 -0.32 0.00 -3.07 0.00 0.00 36.82 36.05 1pux h ILE 72 CO -0.01 0.44 -0.81 1.51 -0.69 0.00 0.00 178.15 178.59 1pux s ASP 73 N -5.99 1.61 0.00 1.72 1.47 0.36 -5.00 116.67 110.84 1pux s ASP 73 Ca -0.14 -0.26 0.22 0.00 1.18 0.00 0.00 52.55 53.55 1pux s ASP 73 Cb -0.02 -0.52 0.00 0.00 -0.34 0.00 0.00 42.92 42.04 1pux s ASP 73 CO 0.53 0.08 1.07 -1.84 0.68 0.00 0.00 175.17 175.69 1pux n GLU 74 N 3.39 0.25 0.00 2.11 0.28 -1.22 -3.87 120.64 121.58 1pux n GLU 74 Ca -0.19 -0.19 0.11 0.00 -0.16 0.00 0.00 57.16 56.72 1pux n GLU 74 Cb 0.53 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 32.01 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 -1.21 0.70 -4.70 -1.84 5.15 -1.26 -4.90 115.26 107.20 1pux n ASN 75 Ca 0.06 -0.54 -0.42 0.00 -0.60 0.00 0.00 54.58 53.07 1pux n ASN 75 Cb 0.36 0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 40.13 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 -3.00 2.56 -0.34 -1.44 2.07 -1.25 -4.96 121.20 114.83 1pux s ILE 76 Ca 0.10 0.17 -0.06 0.00 -1.41 0.00 0.00 60.65 59.44 1pux s ILE 76 Cb 0.17 -3.11 0.04 0.00 0.13 0.00 0.00 42.46 39.69 1pux s ILE 76 CO 0.77 0.00 0.11 -0.60 -1.91 0.00 0.00 174.94 173.31 1pux s ARG 77 N 2.31 2.61 -0.01 3.50 3.52 -1.26 -4.92 118.95 124.70 1pux s ARG 77 Ca 0.77 -1.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 1pux s ARG 77 Cb -0.45 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.46 1pux s ARG 77 CO 0.34 -0.69 0.09 0.08 -0.81 0.00 0.00 175.30 174.31 1pux s VAL 78 N 1.40 0.06 -0.03 7.11 1.01 -1.26 -3.66 120.40 125.03 1pux s VAL 78 Ca -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1pux s VAL 78 Cb -0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1pux s VAL 78 CO 0.03 -0.27 -0.06 -0.63 0.00 0.00 0.00 175.10 174.16 1pux s ILE 79 N -0.88 3.71 0.16 2.22 1.01 -0.66 -2.36 121.20 124.40 1pux s ILE 79 Ca -0.10 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1pux s ILE 79 Cb -0.06 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1pux s ILE 79 CO 0.00 0.48 0.24 0.27 0.00 0.00 0.00 174.94 175.93 1pux s ILE 80 N -0.93 5.03 -0.02 2.92 -5.25 -1.24 -1.96 121.20 119.75 1pux s ILE 80 Ca 0.15 -0.84 0.00 0.00 -0.99 0.00 0.00 60.65 58.97 1pux s ILE 80 Cb -0.11 -3.59 0.02 0.00 2.95 0.00 0.00 42.46 41.73 1pux s ILE 80 CO 0.05 -0.11 0.01 0.00 -1.79 0.00 0.00 174.94 173.10 1pux s MET 81 N -3.23 0.11 0.00 0.37 0.23 -1.09 -0.74 119.30 114.96 1pux s MET 81 Ca 0.33 0.09 0.00 0.00 -1.03 0.00 0.00 55.69 55.09 1pux s MET 81 Cb -0.11 -0.29 0.00 0.00 -1.53 0.00 0.00 34.83 32.90 1pux s MET 81 CO 0.27 -0.11 0.00 -2.37 -2.03 0.00 0.00 175.02 170.78 1pux n THR 82 N 3.89 0.00 -0.96 3.16 5.66 0.34 -3.47 114.28 122.90 1pux n THR 82 Ca -0.24 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.43 1pux n THR 82 Cb 0.52 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.15 -1.17 -0.92 1.79 0.00 -1.26 -3.64 120.51 115.16 1pux n ALA 83 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1pux n ALA 83 Cb 0.00 -2.04 -0.14 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 -3.42 0.22 -0.04 0.00 4.11 -1.26 -3.65 117.16 113.11 1pux n TYR 84 Ca 0.11 -1.48 -0.05 0.00 -0.00 0.00 0.00 57.90 56.47 1pux n TYR 84 Cb 0.52 -1.55 -0.04 0.00 -0.00 0.00 0.00 39.34 38.26 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 2.66 -0.17 2.66 -7.48 0.00 -1.26 -4.69 105.19 96.91 1pux n GLY 85 Ca 0.41 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.60 3.02 -0.34 1.61 0.28 -1.24 -4.77 120.64 116.60 1pux n GLU 86 Ca -0.14 -3.86 0.23 0.00 -0.16 0.00 0.00 57.16 53.23 1pux n GLU 86 Cb 0.67 -2.27 0.47 0.00 1.43 0.00 0.00 31.44 31.75 1pux n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1pux h LEU 87 N 2.72 0.53 -1.06 -1.84 3.38 -1.83 0.98 115.31 118.18 1pux h LEU 87 Ca 0.47 0.16 0.32 0.00 0.09 0.00 0.00 57.88 58.93 1pux h LEU 87 Cb 0.49 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.19 1pux h LEU 87 CO 1.22 -0.06 0.60 -0.78 0.09 0.00 0.00 178.44 179.51 1pux h ASP 88 N 0.37 0.50 0.05 -0.43 3.58 -1.99 0.79 116.42 119.29 1pux h ASP 88 Ca 0.71 0.18 -0.10 0.00 0.42 0.00 0.00 57.03 58.23 1pux h ASP 88 Cb 1.63 0.12 0.01 0.00 1.72 0.00 0.00 39.33 42.81 1pux h ASP 88 CO -0.53 -0.11 -0.42 -0.03 -2.88 0.00 0.00 179.24 175.26 1pux h MET 89 N 0.33 0.20 -0.64 0.28 4.05 0.59 -3.20 114.93 116.53 1pux h MET 89 Ca 0.73 -0.28 0.10 0.00 -0.28 0.00 0.00 59.70 59.97 1pux h MET 89 Cb 1.71 0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 32.53 1pux h MET 89 CO -0.56 1.08 0.23 0.82 0.23 0.00 0.00 176.91 178.70 1pux h ILE 90 N -0.54 0.74 0.06 1.77 5.03 -0.14 -1.17 117.51 123.25 1pux h ILE 90 Ca -0.07 -0.14 0.02 0.00 -0.12 0.00 0.00 64.86 64.56 1pux h ILE 90 Cb 1.26 0.30 -0.05 0.00 -3.03 0.00 0.00 36.82 35.30 1pux h ILE 90 CO 0.08 0.07 -0.49 1.56 -0.68 0.00 0.00 178.15 178.70 1pux h GLN 91 N 0.40 -0.65 -0.72 2.37 1.08 0.33 0.28 115.11 118.20 1pux h GLN 91 Ca 0.33 0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.72 1pux h GLN 91 Cb 0.43 0.15 -0.10 0.00 -0.05 0.00 0.00 27.48 27.91 1pux h GLN 91 CO -0.33 -0.43 0.19 0.93 -0.95 0.00 0.00 178.83 178.24 1pux h GLU 92 N -0.67 0.29 -0.14 1.46 3.07 -1.37 0.53 114.58 117.74 1pux h GLU 92 Ca 0.02 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1pux h GLU 92 Cb 0.71 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 1pux h GLU 92 CO -0.31 0.19 0.01 0.66 -1.40 0.00 0.00 179.01 178.16 1pux h SER 93 N 0.30 -0.04 -0.95 1.42 4.64 -0.07 1.33 113.55 120.17 1pux h SER 93 Ca 0.40 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1pux h SER 93 Cb 0.67 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.76 1pux h SER 93 CO -0.48 0.00 0.60 0.11 -0.87 0.00 0.00 176.83 176.19 1pux h LYS 94 N 0.05 1.28 0.00 4.77 1.57 0.15 0.59 116.57 124.98 1pux h LYS 94 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1pux h LYS 94 Cb 0.07 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1pux h LYS 94 CO -0.10 0.88 0.00 0.39 -0.57 0.00 0.00 179.45 180.05 1pux n GLU 95 N -4.36 0.06 0.21 3.15 -0.58 0.17 -2.68 120.64 116.60 1pux n GLU 95 Ca 0.11 0.07 0.13 0.00 -0.42 0.00 0.00 57.16 57.06 1pux n GLU 95 Cb 0.04 -1.58 0.33 0.00 -0.57 0.00 0.00 31.44 29.66 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 0.41 -3.46 115.31 111.70 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 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 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 0.87 1.69 3.85 0.83 0.00 -1.09 -4.69 105.19 106.66 1pux n GLY 97 Ca 0.04 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 2.98 0.09 4.61 0.00 -1.04 -4.86 121.76 121.54 1pux s ALA 98 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 1pux s ALA 98 Cb 0.00 -3.12 -0.14 0.00 0.00 0.00 0.00 23.12 19.87 1pux s ALA 98 CO 0.00 -0.76 1.73 -0.07 0.00 0.00 0.00 175.76 176.67 1pux h LEU 99 N -0.20 0.04 0.00 0.00 -0.00 -1.81 -3.46 115.31 109.87 1pux h LEU 99 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1pux h LEU 99 Cb 1.20 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1pux h LEU 99 CO 0.60 0.04 0.00 1.07 -0.00 0.00 0.00 178.44 180.15 1pux n THR 100 N -5.06 0.00 -3.69 0.22 5.66 -1.26 -5.05 114.28 105.10 1pux n THR 100 Ca -0.06 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.78 1pux n THR 100 Cb 0.04 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.02 -0.20 0.25 1.09 -3.43 -1.26 -3.62 115.29 106.10 1pux s HIS 101 Ca 0.00 0.61 0.07 0.00 -0.80 0.00 0.00 55.06 54.94 1pux s HIS 101 Cb 0.00 -0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 1pux s HIS 101 CO 0.00 -0.25 0.18 0.12 -2.00 0.00 0.00 174.74 172.79 1pux s PHE 102 N 1.98 3.08 0.03 0.38 2.19 0.09 -4.99 117.98 120.74 1pux s PHE 102 Ca -0.01 -0.11 0.07 0.00 0.33 0.00 0.00 56.93 57.21 1pux s PHE 102 Cb -0.12 -1.39 -0.02 0.00 -1.31 0.00 0.00 43.02 40.18 1pux s PHE 102 CO -0.06 0.53 -0.21 0.00 1.83 0.00 0.00 175.22 177.31 1pux s ALA 103 N -2.12 1.78 0.15 11.12 0.00 -1.24 0.13 121.76 131.57 1pux s ALA 103 Ca 0.33 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 1pux s ALA 103 Cb -0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 1pux s ALA 103 CO 0.24 0.41 1.55 0.87 0.00 0.00 0.00 175.76 178.83 1pux h LYS 104 N 4.99 -0.21 -5.25 0.00 1.57 -1.92 -2.89 116.57 112.87 1pux h LYS 104 Ca -0.42 0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 57.81 1pux h LYS 104 Cb 1.15 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 1pux h LYS 104 CO 0.44 -0.14 1.96 -0.35 -0.57 0.00 0.00 179.45 180.80 1pux n PRO 105 N -5.33 2.34 -4.36 3.15 -0.04 -1.26 -4.88 135.00 124.61 1pux n PRO 105 Ca -0.01 -2.69 -0.19 0.00 -0.04 0.00 0.00 63.50 60.58 1pux n PRO 105 Cb 0.31 -3.46 -0.10 0.00 -0.04 0.00 0.00 33.50 30.21 1pux n PRO 105 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1pux s PHE 106 N 6.56 1.72 -0.01 0.54 0.40 -1.09 -5.09 117.98 121.00 1pux s PHE 106 Ca 0.58 -0.73 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 1pux s PHE 106 Cb 0.05 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.62 1pux s PHE 106 CO 0.08 0.20 -0.04 0.34 0.70 0.00 0.00 175.22 176.49 1pux s ASP 107 N -3.35 4.80 0.33 1.36 2.15 -1.26 -5.00 116.67 115.70 1pux s ASP 107 Ca 0.26 -0.07 0.04 0.00 0.43 0.00 0.00 52.55 53.21 1pux s ASP 107 Cb 0.03 -1.19 0.66 0.00 -0.30 0.00 0.00 42.92 42.12 1pux s ASP 107 CO 0.09 0.30 1.91 0.40 -0.17 0.00 0.00 175.17 177.70 1pux h ILE 108 N 3.79 0.99 -0.69 4.11 5.03 -2.01 0.20 117.51 128.93 1pux h ILE 108 Ca -0.49 -0.30 0.04 0.00 -0.12 0.00 0.00 64.86 63.99 1pux h ILE 108 Cb 1.17 0.05 -0.04 0.00 -3.03 0.00 0.00 36.82 34.97 1pux h ILE 108 CO 0.54 0.16 0.45 0.44 -0.68 0.00 0.00 178.15 179.07 1pux h ASP 109 N 0.87 0.69 -0.17 1.72 3.32 -1.99 0.15 116.42 121.01 1pux h ASP 109 Ca 0.39 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.25 1pux h ASP 109 Cb 0.35 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1pux h ASP 109 CO -0.15 0.47 -0.59 -0.33 -1.72 0.00 0.00 179.24 176.92 1pux h GLU 110 N 0.80 0.70 0.00 3.56 5.08 -1.08 -2.98 114.58 120.66 1pux h GLU 110 Ca 0.28 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1pux h GLU 110 Cb 0.11 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1pux h GLU 110 CO -0.08 1.15 -0.15 0.82 -1.00 0.00 0.00 179.01 179.74 1pux h ILE 111 N 0.40 1.01 -0.16 3.13 2.04 -0.14 -1.04 117.51 122.74 1pux h ILE 111 Ca -0.03 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.34 1pux h ILE 111 Cb 1.22 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1pux h ILE 111 CO 0.13 0.15 0.16 0.03 0.00 0.00 0.00 178.15 178.62 1pux h ARG 112 N 0.00 0.00 0.07 2.37 3.08 -0.58 0.27 114.38 119.59 1pux h ARG 112 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1pux h ARG 112 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.35 1pux h ARG 112 CO 0.02 0.00 -0.63 0.22 -1.07 0.00 0.00 179.97 178.51 1pux h ASP 113 N 0.00 0.43 -0.69 7.04 1.82 -1.27 -3.21 116.42 120.54 1pux h ASP 113 Ca 0.08 -0.88 -0.03 0.00 -0.39 0.00 0.00 57.03 55.81 1pux h ASP 113 Cb 0.40 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 1pux h ASP 113 CO -0.00 1.27 0.33 0.00 -1.61 0.00 0.00 179.24 179.23 1pux h ALA 114 N 0.17 1.24 -0.85 -0.78 0.00 -1.11 -1.93 119.26 116.00 1pux h ALA 114 Ca -0.10 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.81 1pux h ALA 114 Cb 1.43 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1pux h ALA 114 CO 0.12 0.58 0.44 0.28 0.00 0.00 0.00 179.25 180.67 1pux h VAL 115 N 1.01 0.74 -0.38 0.00 2.07 -0.59 1.65 116.25 120.75 1pux h VAL 115 Ca 0.24 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1pux h VAL 115 Cb 0.12 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1pux h VAL 115 CO -0.03 0.12 0.63 0.50 0.02 0.00 0.00 177.57 178.81 1pux h LYS 116 N 0.63 0.00 0.00 1.57 3.64 -1.34 1.72 116.57 122.79 1pux h LYS 116 Ca 0.46 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.67 1pux h LYS 116 Cb 0.64 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1pux h LYS 116 CO -0.36 0.00 -1.64 1.63 -2.27 0.00 0.00 179.45 176.82 1pux n LYS 117 N -3.25 2.13 0.23 1.90 4.01 0.25 -4.50 118.16 118.93 1pux n LYS 117 Ca 0.07 0.01 0.11 0.00 -0.51 0.00 0.00 58.31 57.99 1pux n LYS 117 Cb 0.78 -1.24 0.50 0.00 -0.51 0.00 0.00 35.03 34.56 1pux n LYS 117 CO 0.00 0.00 0.00 -0.92 -1.11 0.00 0.00 177.40 175.37 1pux h TYR 118 N 0.00 0.00 0.00 2.13 5.03 0.52 -3.46 116.97 121.19 1pux h TYR 118 Ca -0.25 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.06 1pux h TYR 118 Cb 1.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.82 1pux h TYR 118 CO 0.00 0.20 0.00 -0.11 -1.32 0.00 0.00 178.16 176.93 1pux n LEU 119 N -3.38 0.00 -2.90 2.82 -0.00 0.56 -4.59 117.00 109.51 1pux n LEU 119 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1pux n LEU 119 Cb 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.77 1pux n LEU 119 CO 0.32 0.00 2.36 -0.81 -0.00 0.00 0.00 177.39 179.27 1pux n PRO 120 N -0.42 2.39 -2.83 1.96 -0.04 -1.26 -3.84 135.00 130.97 1pux n PRO 120 Ca 0.00 -1.46 -0.23 0.00 -0.04 0.00 0.00 63.50 61.77 1pux n PRO 120 Cb 0.00 -2.38 0.02 0.00 -0.04 0.00 0.00 33.50 31.10 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 3.50 -0.91 1.53 2.96 -1.26 -4.91 118.68 119.68 1pux s LEU 121 Ca 0.52 0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 54.40 1pux s LEU 121 Cb 0.17 -3.12 -0.21 0.00 0.50 0.00 0.00 46.19 43.53 1pux s LEU 121 CO -0.03 -0.87 2.58 1.17 -1.32 0.00 0.00 176.35 177.88 1pux n LYS 122 N -2.21 0.19 -3.10 1.98 0.00 -1.26 -4.85 118.16 108.91 1pux n LYS 122 Ca 0.03 -0.03 -0.35 0.00 0.00 0.00 0.00 58.31 57.97 1pux n LYS 122 Cb 0.58 -1.82 -0.06 0.00 0.00 0.00 0.00 35.03 33.73 1pux n LYS 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pux s SER 123 N 8.50 7.00 0.00 3.14 0.15 -1.26 -5.06 113.70 126.17 1pux s SER 123 Ca 1.28 1.40 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1pux s SER 123 Cb -1.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 60.90 1pux s SER 123 CO 0.45 -0.02 0.16 -3.20 1.20 0.00 0.00 173.24 171.83