#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pux s MET 2 N 0.00 0.21 0.00 0.03 -2.45 -1.26 -5.18 119.30 110.65 1pux s MET 2 Ca 0.00 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 1pux s MET 2 Cb 0.00 0.10 0.00 0.00 1.25 0.00 0.00 34.83 36.18 1pux s MET 2 CO 0.00 -0.08 0.00 0.09 1.05 0.00 0.00 175.02 176.08 1pux n ASN 3 N 0.19 0.00 -3.64 1.11 3.02 -1.26 -5.19 115.26 109.50 1pux n ASN 3 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1pux n ASN 3 Cb 0.58 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1pux n ASN 3 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pux s GLU 4 N -1.34 0.12 0.10 3.52 2.12 -1.26 -5.07 118.70 116.89 1pux s GLU 4 Ca 0.00 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 1pux s GLU 4 Cb 0.00 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1pux s GLU 4 CO 0.00 -0.03 0.21 0.15 -0.54 0.00 0.00 175.26 175.05 1pux s LYS 5 N -0.93 0.88 -0.07 4.30 3.01 -1.26 -3.82 119.74 121.86 1pux s LYS 5 Ca 0.08 -0.95 -0.30 0.00 -1.01 0.00 0.00 55.97 53.79 1pux s LYS 5 Cb -0.01 0.36 0.10 0.00 -1.01 0.00 0.00 37.83 37.26 1pux s LYS 5 CO -0.08 -0.29 0.85 0.42 0.51 0.00 0.00 175.35 176.76 1pux s ILE 6 N -3.86 0.00 0.02 2.17 1.01 -1.11 -1.48 121.20 117.96 1pux s ILE 6 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1pux s ILE 6 Cb 0.05 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1pux s ILE 6 CO -0.10 0.00 -0.11 -0.22 0.00 0.00 0.00 174.94 174.51 1pux s LEU 7 N -1.53 2.13 -0.10 2.97 2.96 -0.75 -3.33 118.68 121.03 1pux s LEU 7 Ca -0.03 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1pux s LEU 7 Cb -0.00 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.23 1pux s LEU 7 CO 0.01 0.01 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.22 1pux s ILE 8 N -0.72 2.50 -0.04 6.68 1.01 0.11 0.26 121.20 130.99 1pux s ILE 8 Ca -0.00 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1pux s ILE 8 Cb -0.07 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1pux s ILE 8 CO 0.01 0.55 -0.09 -0.69 0.00 0.00 0.00 174.94 174.71 1pux s VAL 9 N 0.19 0.87 0.08 2.92 1.01 0.41 -1.77 120.40 124.12 1pux s VAL 9 Ca -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1pux s VAL 9 Cb -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1pux s VAL 9 CO 0.06 0.28 0.00 0.47 0.00 0.00 0.00 175.10 175.92 1pux n ASP 10 N 3.60 -2.85 -0.17 3.32 9.92 -1.17 -2.57 116.55 126.63 1pux n ASP 10 Ca -0.21 0.39 -0.02 0.00 -0.53 0.00 0.00 54.79 54.42 1pux n ASP 10 Cb 0.53 -1.32 -0.01 0.00 -0.64 0.00 0.00 41.12 39.67 1pux n ASP 10 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1pux n ASP 11 N -4.18 -5.66 -4.60 -2.24 -0.08 -1.26 -4.59 116.55 93.94 1pux n ASP 11 Ca 0.00 0.06 -0.43 0.00 -1.51 0.00 0.00 54.79 52.91 1pux n ASP 11 Cb 0.17 -3.36 -0.02 0.00 2.34 0.00 0.00 41.12 40.25 1pux n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pux s GLN 12 N -2.02 3.77 0.00 -0.67 -2.07 -1.26 -4.66 119.66 112.75 1pux s GLN 12 Ca 0.00 0.60 0.04 0.00 -1.82 0.00 0.00 55.36 54.18 1pux s GLN 12 Cb 0.00 -3.87 0.06 0.00 -1.09 0.00 0.00 33.01 28.11 1pux s GLN 12 CO 0.00 -1.23 0.90 0.98 -1.32 0.00 0.00 175.29 174.61 1pux n TYR 13 N 7.48 0.00 0.00 9.60 4.19 -1.26 -4.95 117.16 132.22 1pux n TYR 13 Ca 0.11 -0.34 0.00 0.00 3.31 0.00 0.00 57.90 60.98 1pux n TYR 13 Cb 0.48 0.30 0.00 0.00 0.49 0.00 0.00 39.34 40.62 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 0.07 0.78 0.13 2.98 0.00 -1.26 -4.96 105.19 102.93 1pux n GLY 14 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.28 1.72 -0.16 -0.61 -0.00 -1.26 -3.77 119.36 114.00 1pux n ILE 15 Ca 0.00 -0.50 -0.03 0.00 -0.00 0.00 0.00 62.75 62.22 1pux n ILE 15 Cb 0.00 -1.81 0.03 0.00 -0.00 0.00 0.00 39.64 37.86 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 -0.21 -0.06 -0.02 0.38 0.11 -1.93 -0.53 114.38 112.12 1pux h ARG 16 Ca -0.41 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.70 1pux h ARG 16 Cb 1.85 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 32.90 1pux h ARG 16 CO 0.00 -0.04 -0.22 0.82 0.10 0.00 0.00 179.97 180.64 1pux h ILE 17 N -0.06 0.49 -0.80 0.08 2.04 -1.97 1.61 117.51 118.89 1pux h ILE 17 Ca 0.24 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.18 1pux h ILE 17 Cb 0.43 0.49 -0.11 0.00 -0.74 0.00 0.00 36.82 36.89 1pux h ILE 17 CO -0.55 0.00 -0.56 0.25 0.00 0.00 0.00 178.15 177.28 1pux h LEU 18 N -0.33 -2.01 -1.37 1.44 5.85 -1.23 1.79 115.31 119.45 1pux h LEU 18 Ca 0.07 0.30 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1pux h LEU 18 Cb 0.42 0.88 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pux h LEU 18 CO -0.22 -0.29 -0.12 0.17 -0.34 0.00 0.00 178.44 177.65 1pux h LEU 19 N -0.13 0.00 0.46 2.25 8.10 -0.79 -2.86 115.31 122.33 1pux h LEU 19 Ca 0.14 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.11 1pux h LEU 19 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1pux h LEU 19 CO -0.83 0.12 -0.22 -1.13 -4.11 0.00 0.00 178.44 172.27 1pux h ASN 20 N 0.00 -0.52 -0.35 0.17 -1.24 1.40 -1.67 115.58 113.37 1pux h ASN 20 Ca -0.00 0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.13 1pux h ASN 20 Cb 0.59 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 1pux h ASN 20 CO 0.02 -0.28 0.46 -0.08 -1.29 0.00 0.00 177.43 176.26 1pux h GLU 21 N -0.80 0.00 -0.02 6.67 4.81 0.10 2.70 114.58 128.05 1pux h GLU 21 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1pux h GLU 21 Cb 0.47 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1pux h GLU 21 CO 0.10 0.00 -0.02 0.28 -0.73 0.00 0.00 179.01 178.65 1pux h VAL 22 N 0.00 1.38 0.00 0.32 2.07 -1.26 -2.89 116.25 115.87 1pux h VAL 22 Ca 0.17 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1pux h VAL 22 Cb 1.09 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1pux h VAL 22 CO -0.00 0.30 -0.64 -0.26 0.02 0.00 0.00 177.57 176.99 1pux h PHE 23 N -0.42 0.00 -0.03 1.57 -1.00 0.34 -3.28 116.94 114.12 1pux h PHE 23 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1pux h PHE 23 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 1pux h PHE 23 CO 0.09 0.00 -0.26 -0.97 -1.61 0.00 0.00 178.31 175.56 1pux h ASN 24 N 0.00 0.05 0.00 2.17 -1.24 0.46 -1.54 115.58 115.47 1pux h ASN 24 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1pux h ASN 24 Cb 0.94 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.98 1pux h ASN 24 CO 0.00 0.31 0.36 0.11 -1.29 0.00 0.00 177.43 176.92 1pux h LYS 25 N 0.04 0.00 0.00 6.67 1.57 -1.57 1.70 116.57 124.98 1pux h LYS 25 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1pux h LYS 25 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1pux h LYS 25 CO 0.04 0.00 -1.23 0.39 -0.57 0.00 0.00 179.45 178.07 1pux n GLU 26 N -2.78 0.62 -0.58 3.15 -0.58 -0.58 -4.96 120.64 114.92 1pux n GLU 26 Ca -0.02 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1pux n GLU 26 Cb 0.40 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.25 0.69 3.75 0.62 0.00 0.58 -5.03 105.19 107.05 1pux n GLY 27 Ca -0.03 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1pux n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pux s TYR 28 N -2.00 2.39 0.12 1.61 1.13 -1.25 -4.98 117.35 114.37 1pux s TYR 28 Ca 0.00 1.51 -0.28 0.00 -1.41 0.00 0.00 57.07 56.90 1pux s TYR 28 Cb 0.00 -3.48 -0.07 0.00 -1.10 0.00 0.00 41.96 37.31 1pux s TYR 28 CO 0.00 -2.22 0.86 -1.14 -2.51 0.00 0.00 175.55 170.55 1pux s GLN 29 N -3.32 4.64 0.17 -3.49 0.74 -1.25 -4.81 119.66 112.34 1pux s GLN 29 Ca 0.77 1.29 0.06 0.00 0.05 0.00 0.00 55.36 57.53 1pux s GLN 29 Cb -0.30 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1pux s GLN 29 CO 0.33 0.36 -0.13 0.95 -0.55 0.00 0.00 175.29 176.25 1pux s THR 30 N -0.44 1.45 -0.03 -0.34 -4.23 -1.26 -2.74 115.64 108.04 1pux s THR 30 Ca 0.41 -2.10 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1pux s THR 30 Cb -0.23 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.73 1pux s THR 30 CO 0.27 -0.64 0.35 0.12 -0.54 0.00 0.00 174.62 174.18 1pux s PHE 31 N -3.04 -0.25 0.08 3.99 2.19 -1.21 -5.02 117.98 114.71 1pux s PHE 31 Ca 0.19 0.44 0.08 0.00 0.33 0.00 0.00 56.93 57.96 1pux s PHE 31 Cb 0.00 0.13 -0.04 0.00 -1.31 0.00 0.00 43.02 41.81 1pux s PHE 31 CO 0.04 -0.39 -0.17 -0.65 1.83 0.00 0.00 175.22 175.88 1pux s GLN 32 N -1.13 1.97 0.18 10.12 1.11 -1.25 0.04 119.66 130.69 1pux s GLN 32 Ca -0.12 -1.07 -0.00 0.00 0.01 0.00 0.00 55.36 54.18 1pux s GLN 32 Cb -0.04 -2.18 -0.04 0.00 -1.01 0.00 0.00 33.01 29.73 1pux s GLN 32 CO 0.04 0.51 0.08 0.00 0.01 0.00 0.00 175.29 175.93 1pux s ALA 33 N -1.06 1.15 -0.34 6.09 0.00 -0.73 -4.98 121.76 121.90 1pux s ALA 33 Ca 0.17 -1.62 0.13 0.00 0.00 0.00 0.00 51.96 50.64 1pux s ALA 33 Cb -0.11 1.02 0.46 0.00 0.00 0.00 0.00 23.12 24.49 1pux s ALA 33 CO 0.08 -0.49 1.07 0.00 0.00 0.00 0.00 175.76 176.42 1pux n ALA 34 N -0.22 4.03 0.00 0.00 0.00 -1.26 -3.04 120.51 120.02 1pux n ALA 34 Ca -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.88 1pux n ALA 34 Cb 0.65 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.40 0.00 -0.04 0.00 4.13 -1.26 -4.98 115.26 112.71 1pux n ASN 35 Ca 0.24 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.34 1pux n ASN 35 Cb 0.79 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.89 1pux n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pux n GLY 36 N -0.23 -0.71 0.12 7.41 0.00 -1.26 -3.83 105.19 106.70 1pux n GLY 36 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.03 -0.16 -1.90 0.99 6.46 -1.97 -2.05 115.31 116.70 1pux h LEU 37 Ca -0.43 -0.37 0.13 0.00 -0.12 0.00 0.00 57.88 57.10 1pux h LEU 37 Cb 2.03 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.99 1pux h LEU 37 CO 0.05 0.33 0.50 1.56 -0.62 0.00 0.00 178.44 180.26 1pux h GLN 38 N -0.72 0.00 0.00 1.25 4.20 -1.95 1.51 115.11 119.40 1pux h GLN 38 Ca -0.02 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1pux h GLN 38 Cb 0.52 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1pux h GLN 38 CO 0.03 0.00 -0.85 0.00 -0.67 0.00 0.00 178.83 177.34 1pux h ALA 39 N 1.41 0.65 -0.22 3.87 0.00 -1.62 -2.50 119.26 120.85 1pux h ALA 39 Ca 0.21 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1pux h ALA 39 Cb 1.21 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1pux h ALA 39 CO -0.00 0.74 -0.27 -0.07 0.00 0.00 0.00 179.25 179.65 1pux h LEU 40 N 0.00 0.62 -0.08 0.00 3.38 0.28 0.84 115.31 120.35 1pux h LEU 40 Ca -0.06 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1pux h LEU 40 Cb 1.46 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1pux h LEU 40 CO 0.06 0.99 -0.06 -0.78 0.09 0.00 0.00 178.44 178.74 1pux h ASP 41 N 0.26 0.19 0.74 -0.43 1.82 -1.33 -2.80 116.42 114.88 1pux h ASP 41 Ca 0.03 -0.45 -0.03 0.00 -0.39 0.00 0.00 57.03 56.19 1pux h ASP 41 Cb 0.84 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.79 1pux h ASP 41 CO 0.06 0.60 -0.15 0.40 -1.61 0.00 0.00 179.24 178.55 1pux h ILE 42 N -0.22 0.44 0.07 2.25 2.04 -1.46 -1.30 117.51 119.33 1pux h ILE 42 Ca 0.02 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1pux h ILE 42 Cb 0.54 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1pux h ILE 42 CO 0.02 0.15 -0.24 0.58 0.00 0.00 0.00 178.15 178.65 1pux h VAL 43 N 0.00 0.46 0.02 1.67 2.07 0.98 1.02 116.25 122.47 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 0.56 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1pux h VAL 43 CO 0.02 0.00 -0.97 0.74 0.02 0.00 0.00 177.57 177.37 1pux h THR 44 N -0.42 1.45 -0.93 2.57 2.02 -1.46 1.51 112.91 117.65 1pux h THR 44 Ca 0.04 -2.61 -0.00 0.00 0.77 0.00 0.00 66.41 64.61 1pux h THR 44 Cb 0.46 2.52 -0.05 0.00 -1.74 0.00 0.00 68.15 69.35 1pux h THR 44 CO -0.17 0.77 0.57 0.50 0.37 0.00 0.00 175.52 177.57 1pux h LYS 45 N 0.17 1.25 -0.01 6.66 3.64 -0.84 -2.35 116.57 125.08 1pux h LYS 45 Ca -0.08 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1pux h LYS 45 Cb 1.63 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1pux h LYS 45 CO 0.16 0.86 -0.52 0.39 -2.27 0.00 0.00 179.45 178.08 1pux n GLU 46 N -4.39 1.29 -3.75 1.90 1.02 0.35 -4.99 120.64 112.08 1pux n GLU 46 Ca 0.10 -0.73 -0.12 0.00 -0.02 0.00 0.00 57.16 56.40 1pux n GLU 46 Cb 0.05 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.35 -0.81 -1.57 3.49 1.85 0.51 -4.79 116.66 114.99 1pux n ARG 47 Ca 0.07 -0.34 -0.31 0.00 -1.00 0.00 0.00 57.85 56.27 1pux n ARG 47 Cb 0.39 0.05 0.05 0.00 -1.05 0.00 0.00 32.46 31.90 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 -5.44 2.93 0.00 2.89 0.04 -1.20 -4.80 135.00 129.42 1pux s PRO 48 Ca 0.12 0.95 0.25 0.00 0.04 0.00 0.00 61.00 62.36 1pux s PRO 48 Cb -0.07 -1.99 0.36 0.00 0.04 0.00 0.00 34.50 32.84 1pux s PRO 48 CO 0.25 -1.10 1.34 -0.25 0.04 0.00 0.00 177.00 177.27 1pux n ASP 49 N -3.13 2.29 -3.39 6.66 9.92 -0.55 -4.84 116.55 123.51 1pux n ASP 49 Ca 0.07 -1.68 0.02 0.00 -0.53 0.00 0.00 54.79 52.67 1pux n ASP 49 Cb 0.54 0.13 -0.04 0.00 -0.64 0.00 0.00 41.12 41.11 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 -2.17 -0.70 -0.07 0.64 1.98 -1.20 -4.90 118.68 112.26 1pux s LEU 50 Ca 0.27 0.86 0.05 0.00 -2.89 0.00 0.00 54.13 52.42 1pux s LEU 50 Cb 0.20 1.75 -0.01 0.00 0.66 0.00 0.00 46.19 48.80 1pux s LEU 50 CO 0.40 -0.13 -0.24 0.54 -1.89 0.00 0.00 176.35 175.02 1pux s VAL 51 N 2.60 1.99 -0.19 1.68 0.11 -1.25 -1.81 120.40 123.52 1pux s VAL 51 Ca -0.01 -1.01 -0.05 0.00 -2.93 0.00 0.00 61.98 57.97 1pux s VAL 51 Cb -0.08 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 1pux s VAL 51 CO -0.17 0.55 0.01 -0.22 -3.33 0.00 0.00 175.10 171.94 1pux s LEU 52 N 0.07 3.40 0.05 2.54 0.20 0.14 -0.16 118.68 124.91 1pux s LEU 52 Ca -0.10 -0.12 0.03 0.00 0.69 0.00 0.00 54.13 54.63 1pux s LEU 52 Cb -0.15 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.73 1pux s LEU 52 CO 0.06 0.11 -0.09 -0.22 -0.29 0.00 0.00 176.35 175.91 1pux s LEU 53 N 0.76 2.25 -0.09 -0.68 0.20 0.12 0.16 118.68 121.39 1pux s LEU 53 Ca 0.01 -0.55 -0.02 0.00 0.69 0.00 0.00 54.13 54.25 1pux s LEU 53 Cb -0.14 -0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.35 1pux s LEU 53 CO 0.02 -0.17 0.01 -0.62 -0.29 0.00 0.00 176.35 175.30 1pux s ASP 54 N -1.57 5.34 0.00 3.68 2.15 -1.06 -2.74 116.67 122.46 1pux s ASP 54 Ca -0.08 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1pux s ASP 54 Cb -0.10 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 1pux s ASP 54 CO 0.01 0.37 0.93 0.23 -0.17 0.00 0.00 175.17 176.54 1pux n MET 55 N 2.19 0.00 -1.55 4.34 2.81 -1.22 -4.56 117.12 119.14 1pux n MET 55 Ca -0.19 0.48 -0.58 0.00 -1.81 0.00 0.00 57.70 55.61 1pux n MET 55 Cb 0.54 -1.43 -0.09 0.00 -0.71 0.00 0.00 33.22 31.53 1pux n MET 55 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1pux n LYS 56 N -1.89 0.74 -3.98 0.03 2.85 -1.26 -2.12 118.16 112.53 1pux n LYS 56 Ca 0.00 0.25 -0.17 0.00 -1.05 0.00 0.00 58.31 57.34 1pux n LYS 56 Cb 0.00 -1.99 -0.16 0.00 -0.65 0.00 0.00 35.03 32.23 1pux n LYS 56 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1pux s ILE 57 N 5.00 0.23 0.16 0.58 1.01 -1.26 -4.86 121.20 122.06 1pux s ILE 57 Ca 1.07 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.43 1pux s ILE 57 Cb -1.16 -0.29 -0.07 0.00 0.01 0.00 0.00 42.46 40.94 1pux s ILE 57 CO 0.64 0.14 1.12 -2.16 0.00 0.00 0.00 174.94 174.68 1pux s PRO 58 N 0.77 4.56 0.00 2.79 0.04 -1.26 -2.71 135.00 139.19 1pux s PRO 58 Ca -0.08 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1pux s PRO 58 Cb -0.11 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1pux s PRO 58 CO -0.01 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.45 1pux n GLY 59 N 2.22 1.90 0.00 0.56 0.00 -1.26 -4.87 105.19 103.74 1pux n GLY 59 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pux n GLY 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pux n MET 60 N -2.00 0.00 -1.72 1.61 2.81 -1.10 -5.16 117.12 111.56 1pux n MET 60 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 1pux n MET 60 Cb 0.00 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 32.55 1pux n MET 60 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1pux s ASP 61 N 0.00 5.54 -0.26 7.83 1.11 -1.16 -4.23 116.67 125.50 1pux s ASP 61 Ca 0.00 1.66 0.01 0.00 0.18 0.00 0.00 52.55 54.39 1pux s ASP 61 Cb 0.00 -2.50 0.28 0.00 1.07 0.00 0.00 42.92 41.77 1pux s ASP 61 CO 0.00 -1.33 1.69 0.61 1.18 0.00 0.00 175.17 177.31 1pux n GLY 62 N -1.77 3.61 0.08 0.21 0.00 -0.90 -4.20 105.19 102.22 1pux n GLY 62 Ca 0.08 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 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 0.70 1.72 0.00 -0.61 2.04 -1.92 -2.91 117.51 116.53 1pux h ILE 63 Ca 0.31 -2.40 -0.16 0.00 1.00 0.00 0.00 64.86 63.60 1pux h ILE 63 Cb 1.50 3.35 -0.03 0.00 -0.74 0.00 0.00 36.82 40.90 1pux h ILE 63 CO 0.64 0.64 -1.21 -0.33 0.00 0.00 0.00 178.15 177.90 1pux h GLU 64 N -0.83 0.00 0.64 2.37 4.39 -1.99 -3.07 114.58 116.09 1pux h GLU 64 Ca -0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1pux h GLU 64 Cb 1.18 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1pux h GLU 64 CO 0.04 0.38 -0.31 0.82 -1.16 0.00 0.00 179.01 178.78 1pux h ILE 65 N 0.00 0.00 -0.07 3.13 2.04 -1.76 0.43 117.51 121.29 1pux h ILE 65 Ca -0.13 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1pux h ILE 65 Cb 1.57 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1pux h ILE 65 CO 0.06 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.19 1pux h LEU 66 N -1.05 0.00 0.45 1.44 -0.00 -1.68 0.13 115.31 114.60 1pux h LEU 66 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.77 1pux h LEU 66 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1pux h LEU 66 CO 0.14 0.00 -0.22 0.11 -0.00 0.00 0.00 178.44 178.48 1pux h LYS 67 N 0.00 -0.58 -0.67 1.13 1.57 -1.40 -1.06 116.57 115.55 1pux h LYS 67 Ca 0.03 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1pux h LYS 67 Cb 0.14 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1pux h LYS 67 CO -0.00 -0.39 0.45 0.00 -0.57 0.00 0.00 179.45 178.94 1pux h ARG 68 N -0.70 0.53 0.28 3.15 3.08 -0.58 0.67 114.38 120.81 1pux h ARG 68 Ca -0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1pux h ARG 68 Cb 0.46 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1pux h ARG 68 CO 0.10 0.35 -0.25 0.52 -1.07 0.00 0.00 179.97 179.62 1pux h MET 69 N 0.54 -0.52 -0.20 0.04 2.86 -0.64 1.01 114.93 118.01 1pux h MET 69 Ca 0.31 0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.83 1pux h MET 69 Cb 0.49 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1pux h MET 69 CO -0.10 -0.35 -0.47 1.57 1.06 0.00 0.00 176.91 178.62 1pux h LYS 70 N -0.54 0.68 0.00 1.72 5.09 -0.52 -1.38 116.57 121.62 1pux h LYS 70 Ca -0.01 -0.46 -0.00 0.00 0.09 0.00 0.00 60.65 60.26 1pux h LYS 70 Cb 0.49 0.07 -0.00 0.00 0.10 0.00 0.00 32.23 32.89 1pux h LYS 70 CO -0.04 1.08 -0.02 0.28 -2.09 0.00 0.00 179.45 178.66 1pux h VAL 71 N 0.38 0.65 0.26 0.07 2.07 0.51 -1.01 116.25 119.16 1pux h VAL 71 Ca -0.00 -0.07 -0.34 0.00 0.82 0.00 0.00 66.70 67.11 1pux h VAL 71 Cb 1.08 1.04 0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1pux h VAL 71 CO 0.10 0.02 -1.50 0.40 0.02 0.00 0.00 177.57 176.61 1pux h ILE 72 N 0.00 1.27 -3.17 4.57 1.08 0.14 -3.47 117.51 117.92 1pux h ILE 72 Ca -0.00 -2.69 -0.14 0.00 -0.39 0.00 0.00 64.86 61.64 1pux h ILE 72 Cb 0.04 3.04 -0.23 0.00 -3.07 0.00 0.00 36.82 36.61 1pux h ILE 72 CO 0.00 0.81 -0.39 -1.81 -0.69 0.00 0.00 178.15 176.08 1pux s ASP 73 N -7.58 -0.18 -0.09 1.72 1.01 -0.39 -5.03 116.67 106.14 1pux s ASP 73 Ca -0.09 0.22 0.18 0.00 0.71 0.00 0.00 52.55 53.57 1pux s ASP 73 Cb 0.04 0.39 0.64 0.00 1.01 0.00 0.00 42.92 45.00 1pux s ASP 73 CO 0.95 -0.27 1.55 -1.84 0.21 0.00 0.00 175.17 175.77 1pux n GLU 74 N 2.08 3.42 0.00 8.23 0.28 -1.23 -3.93 120.64 129.48 1pux n GLU 74 Ca -0.18 -2.74 0.07 0.00 -0.16 0.00 0.00 57.16 54.14 1pux n GLU 74 Cb 0.57 -1.76 -0.06 0.00 1.43 0.00 0.00 31.44 31.62 1pux n GLU 74 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1pux n ASN 75 N 0.97 0.88 -4.73 -1.84 5.15 -1.26 -4.98 115.26 109.45 1pux n ASN 75 Ca 0.23 -0.94 -0.42 0.00 -0.60 0.00 0.00 54.58 52.85 1pux n ASN 75 Cb 0.79 0.85 -0.02 0.00 -0.53 0.00 0.00 39.78 40.87 1pux n ASN 75 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1pux s ILE 76 N -2.13 2.03 -0.27 -1.44 2.07 -1.26 -4.97 121.20 115.23 1pux s ILE 76 Ca 0.07 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.36 1pux s ILE 76 Cb 0.11 -3.02 0.07 0.00 0.13 0.00 0.00 42.46 39.75 1pux s ILE 76 CO 0.50 0.00 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.86 1pux s ARG 77 N 0.60 1.99 0.06 3.50 3.52 -1.26 -4.83 118.95 122.52 1pux s ARG 77 Ca 0.71 -1.35 -0.05 0.00 -0.13 0.00 0.00 55.73 54.90 1pux s ARG 77 Cb -0.49 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1pux s ARG 77 CO 0.38 -0.64 0.09 0.08 -0.81 0.00 0.00 175.30 174.40 1pux s VAL 78 N 1.13 0.16 -0.00 7.11 1.01 -1.26 -3.76 120.40 124.79 1pux s VAL 78 Ca -0.05 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 60.64 1pux s VAL 78 Cb -0.20 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1pux s VAL 78 CO -0.06 -0.74 -0.16 -0.63 0.00 0.00 0.00 175.10 173.51 1pux s ILE 79 N -3.44 2.92 0.14 2.22 1.01 0.77 -2.31 121.20 122.51 1pux s ILE 79 Ca 0.02 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1pux s ILE 79 Cb 0.04 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1pux s ILE 79 CO -0.08 0.46 0.05 0.27 0.00 0.00 0.00 174.94 175.63 1pux s ILE 80 N -0.84 4.11 -0.03 2.92 -5.25 -1.24 0.12 121.20 121.00 1pux s ILE 80 Ca 0.13 -1.14 -0.01 0.00 -0.99 0.00 0.00 60.65 58.64 1pux s ILE 80 Cb -0.11 -3.04 0.03 0.00 2.95 0.00 0.00 42.46 42.29 1pux s ILE 80 CO 0.03 -0.03 0.05 -0.04 -1.79 0.00 0.00 174.94 173.17 1pux s MET 81 N -2.77 -0.04 -0.29 0.37 1.00 -1.11 -1.95 119.30 114.52 1pux s MET 81 Ca 0.28 0.27 -0.26 0.00 0.00 0.00 0.00 55.69 55.98 1pux s MET 81 Cb -0.10 -0.32 0.18 0.00 0.00 0.00 0.00 34.83 34.59 1pux s MET 81 CO 0.20 -0.22 1.37 -0.08 0.00 0.00 0.00 175.02 176.29 1pux s THR 82 N 1.45 0.00 0.86 2.05 -1.32 0.70 -3.39 115.64 115.98 1pux s THR 82 Ca -0.04 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.31 1pux s THR 82 Cb -0.13 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.92 1pux s THR 82 CO -0.03 0.00 0.81 0.00 -2.21 0.00 0.00 174.62 173.19 1pux n ALA 83 N 1.30 -1.28 -0.79 11.08 0.00 -1.26 -3.77 120.51 125.79 1pux n ALA 83 Ca -0.08 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.76 1pux n ALA 83 Cb 0.57 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.92 1pux n ALA 83 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1pux n TYR 84 N -3.41 0.60 -0.03 0.00 4.11 -1.26 -3.59 117.16 113.57 1pux n TYR 84 Ca 0.10 -1.51 -0.05 0.00 -0.00 0.00 0.00 57.90 56.45 1pux n TYR 84 Cb 0.52 -1.49 -0.03 0.00 -0.00 0.00 0.00 39.34 38.33 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 3.02 -0.11 2.79 -7.48 0.00 -1.26 -4.70 105.19 97.44 1pux n GLY 85 Ca 0.39 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.65 2.89 -0.39 1.61 0.28 -1.24 -4.75 120.64 116.39 1pux n GLU 86 Ca -0.12 -3.70 0.31 0.00 -0.16 0.00 0.00 57.16 53.49 1pux n GLU 86 Cb 0.63 -2.27 0.59 0.00 1.43 0.00 0.00 31.44 31.82 1pux n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1pux h LEU 87 N 2.85 0.34 -0.07 -1.84 3.38 -1.84 0.41 115.31 118.53 1pux h LEU 87 Ca 0.52 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.66 1pux h LEU 87 Cb 0.25 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1pux h LEU 87 CO 1.33 -0.11 -0.45 -0.78 0.09 0.00 0.00 178.44 178.51 1pux h ASP 88 N 0.20 -1.41 -0.43 -0.43 1.82 -1.99 1.55 116.42 115.73 1pux h ASP 88 Ca 0.75 0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 57.54 1pux h ASP 88 Cb 2.15 0.56 -0.02 0.00 0.68 0.00 0.00 39.33 42.70 1pux h ASP 88 CO -0.42 -0.46 0.17 -0.03 -1.61 0.00 0.00 179.24 176.89 1pux h MET 89 N -0.56 0.64 0.38 0.28 4.05 -0.67 -0.90 114.93 118.16 1pux h MET 89 Ca 0.05 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1pux h MET 89 Cb 0.66 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1pux h MET 89 CO -0.38 0.59 -0.35 0.82 0.23 0.00 0.00 176.91 177.83 1pux h ILE 90 N 0.55 0.29 -0.38 1.77 2.04 -0.35 0.22 117.51 121.64 1pux h ILE 90 Ca 0.14 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.08 1pux h ILE 90 Cb 0.19 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 36.48 1pux h ILE 90 CO -0.01 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.55 1pux h GLN 91 N -0.74 -0.06 -0.41 2.37 1.08 0.23 0.29 115.11 117.86 1pux h GLN 91 Ca -0.03 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 1pux h GLN 91 Cb 0.66 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.05 1pux h GLN 91 CO -0.04 -0.04 0.07 1.49 -0.95 0.00 0.00 178.83 179.35 1pux h GLU 92 N -0.07 0.19 -0.26 1.46 4.57 -0.78 1.23 114.58 120.92 1pux h GLU 92 Ca 0.19 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1pux h GLU 92 Cb 0.35 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1pux h GLU 92 CO -0.43 0.12 0.12 0.66 -1.18 0.00 0.00 179.01 178.30 1pux h SER 93 N 0.19 0.16 -0.20 1.04 4.64 0.76 1.55 113.55 121.69 1pux h SER 93 Ca 0.20 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1pux h SER 93 Cb 0.25 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1pux h SER 93 CO -0.28 0.13 0.08 0.50 -0.87 0.00 0.00 176.83 176.39 1pux h LYS 94 N 0.25 0.31 0.00 4.77 3.11 0.38 -1.48 116.57 123.91 1pux h LYS 94 Ca 0.11 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1pux h LYS 94 Cb 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1pux h LYS 94 CO -0.09 0.38 0.00 -0.85 -2.81 0.00 0.00 179.45 176.08 1pux n GLU 95 N -4.82 0.06 0.18 1.90 -0.00 0.42 -1.89 120.64 116.49 1pux n GLU 95 Ca -0.04 0.25 0.14 0.00 -0.00 0.00 0.00 57.16 57.51 1pux n GLU 95 Cb 0.13 -1.60 0.43 0.00 -0.00 0.00 0.00 31.44 30.39 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 0.33 -3.46 115.31 114.41 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 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 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 0.67 1.85 3.93 0.83 0.00 -0.79 -4.84 105.19 106.85 1pux n GLY 97 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 2.93 0.02 4.61 0.00 -1.08 -4.89 121.76 121.35 1pux s ALA 98 Ca 0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 1pux s ALA 98 Cb 0.00 -2.61 -0.18 0.00 0.00 0.00 0.00 23.12 20.33 1pux s ALA 98 CO 0.00 -1.67 1.43 -0.07 0.00 0.00 0.00 175.76 175.45 1pux h LEU 99 N -0.92 -0.08 0.00 0.00 4.07 -1.79 -3.47 115.31 113.12 1pux h LEU 99 Ca -0.43 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1pux h LEU 99 Cb 1.29 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1pux h LEU 99 CO 0.53 0.21 0.00 1.07 -1.08 0.00 0.00 178.44 179.17 1pux n THR 100 N -5.00 0.00 -3.69 0.22 5.66 -1.26 -5.09 114.28 105.11 1pux n THR 100 Ca -0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 1pux n THR 100 Cb 0.18 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.83 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 -1.63 -0.42 0.23 1.09 -3.43 -1.26 -3.90 115.29 105.97 1pux s HIS 101 Ca 0.00 0.95 0.09 0.00 -0.80 0.00 0.00 55.06 55.30 1pux s HIS 101 Cb 0.00 0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.15 1pux s HIS 101 CO 0.00 -0.31 -0.03 -0.06 -2.00 0.00 0.00 174.74 172.34 1pux s PHE 102 N 1.83 2.70 0.05 0.38 0.08 -0.82 -5.03 117.98 117.17 1pux s PHE 102 Ca -0.05 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 56.84 1pux s PHE 102 Cb -0.11 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1pux s PHE 102 CO -0.09 0.58 -0.07 0.00 -0.10 0.00 0.00 175.22 175.54 1pux s ALA 103 N -2.08 3.03 0.03 5.36 0.00 -1.25 -0.22 121.76 126.63 1pux s ALA 103 Ca 0.29 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 1pux s ALA 103 Cb -0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1pux s ALA 103 CO 0.18 0.64 0.30 1.63 0.00 0.00 0.00 175.76 178.51 1pux n LYS 104 N 1.14 -0.08 -2.31 0.00 5.02 -1.26 -2.40 118.16 118.27 1pux n LYS 104 Ca -0.14 0.29 -0.35 0.00 -2.02 0.00 0.00 58.31 56.09 1pux n LYS 104 Cb 0.52 -0.43 -0.04 0.00 -0.02 0.00 0.00 35.03 35.06 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 -5.05 3.05 0.12 1.97 0.04 -1.26 -4.94 135.00 128.94 1pux s PRO 105 Ca -0.02 -0.55 0.06 0.00 0.04 0.00 0.00 61.00 60.53 1pux s PRO 105 Cb 0.02 -5.04 -0.04 0.00 0.04 0.00 0.00 34.50 29.48 1pux s PRO 105 CO 0.12 -2.72 -0.13 -0.59 0.04 0.00 0.00 177.00 173.71 1pux s PHE 106 N 7.47 1.37 -0.00 0.56 -0.12 -1.01 -5.14 117.98 121.10 1pux s PHE 106 Ca 0.57 -0.58 0.04 0.00 -0.05 0.00 0.00 56.93 56.91 1pux s PHE 106 Cb -0.05 -0.71 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 1pux s PHE 106 CO -0.01 0.13 -0.11 0.34 -0.05 0.00 0.00 175.22 175.52 1pux s ASP 107 N -2.52 4.30 0.15 1.98 -1.08 -1.26 -5.02 116.67 113.21 1pux s ASP 107 Ca 0.09 -0.22 -0.11 0.00 -0.52 0.00 0.00 52.55 51.80 1pux s ASP 107 Cb -0.04 -0.92 -0.02 0.00 -1.46 0.00 0.00 42.92 40.47 1pux s ASP 107 CO 0.03 0.30 1.50 -0.29 0.52 0.00 0.00 175.17 177.22 1pux h ILE 108 N 3.96 1.27 -0.58 4.11 -0.00 -1.99 -1.74 117.51 122.54 1pux h ILE 108 Ca -0.48 -1.50 0.03 0.00 -0.00 0.00 0.00 64.86 62.92 1pux h ILE 108 Cb 1.16 1.28 -0.04 0.00 -0.00 0.00 0.00 36.82 39.22 1pux h ILE 108 CO 0.51 0.51 0.34 0.44 -0.00 0.00 0.00 178.15 179.95 1pux h ASP 109 N 0.81 0.54 0.75 2.19 5.19 -1.99 0.12 116.42 124.03 1pux h ASP 109 Ca 0.08 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1pux h ASP 109 Cb 0.92 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 1pux h ASP 109 CO 0.09 0.37 -0.12 1.05 -3.12 0.00 0.00 179.24 177.51 1pux h GLU 110 N 0.66 0.00 0.00 3.56 4.11 -1.94 -1.43 114.58 119.53 1pux h GLU 110 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1pux h GLU 110 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pux h GLU 110 CO -0.12 0.12 -0.21 0.82 0.07 0.00 0.00 179.01 179.69 1pux h ILE 111 N 0.00 0.00 0.00 -1.06 2.04 0.03 -3.10 117.51 115.42 1pux h ILE 111 Ca -0.00 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1pux h ILE 111 Cb 0.53 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1pux h ILE 111 CO 0.02 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.20 1pux h ARG 112 N 0.00 0.00 0.09 2.37 3.08 0.27 -1.44 114.38 118.74 1pux h ARG 112 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1pux h ARG 112 Cb 0.89 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.95 1pux h ARG 112 CO 0.00 0.00 -0.65 0.22 -1.07 0.00 0.00 179.97 178.47 1pux h ASP 113 N 0.00 0.29 -0.23 7.04 1.82 -1.51 -0.54 116.42 123.29 1pux h ASP 113 Ca 0.00 -0.93 -0.12 0.00 -0.39 0.00 0.00 57.03 55.59 1pux h ASP 113 Cb 0.79 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 1pux h ASP 113 CO 0.00 1.30 -0.26 0.00 -1.61 0.00 0.00 179.24 178.68 1pux h ALA 114 N 0.01 0.90 0.00 -0.78 0.00 -1.59 0.60 119.26 118.40 1pux h ALA 114 Ca -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1pux h ALA 114 Cb 1.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1pux h ALA 114 CO 0.07 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.23 1pux h VAL 115 N 0.61 0.00 0.04 0.00 2.07 -1.36 -0.61 116.25 117.01 1pux h VAL 115 Ca 0.08 -0.86 -0.25 0.00 0.82 0.00 0.00 66.70 66.49 1pux h VAL 115 Cb 0.75 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1pux h VAL 115 CO 0.06 0.00 -1.23 0.50 0.02 0.00 0.00 177.57 176.92 1pux h LYS 116 N 0.00 0.09 0.00 1.57 3.11 -0.40 1.62 116.57 122.57 1pux h LYS 116 Ca 0.00 -0.16 -0.24 0.00 -2.81 0.00 0.00 60.65 57.44 1pux h LYS 116 Cb 0.89 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.15 1pux h LYS 116 CO 0.00 0.99 -1.26 1.57 -2.81 0.00 0.00 179.45 177.94 1pux h LYS 117 N 0.03 0.01 0.03 1.90 2.10 -0.80 -3.38 116.57 116.46 1pux h LYS 117 Ca -0.11 -0.01 -0.36 0.00 -2.00 0.00 0.00 60.65 58.16 1pux h LYS 117 Cb 1.88 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 33.17 1pux h LYS 117 CO 0.14 0.83 -2.07 0.98 -2.00 0.00 0.00 179.45 177.34 1pux n TYR 118 N -3.25 0.57 -4.16 0.07 4.19 -0.24 -4.97 117.16 109.37 1pux n TYR 118 Ca -0.06 0.18 -0.28 0.00 3.31 0.00 0.00 57.90 61.05 1pux n TYR 118 Cb 0.98 -1.07 -0.08 0.00 0.49 0.00 0.00 39.34 39.67 1pux n TYR 118 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1pux s LEU 119 N -7.27 3.40 -0.79 2.98 2.01 0.55 -5.00 118.68 114.56 1pux s LEU 119 Ca -0.31 -0.29 -0.06 0.00 0.01 0.00 0.00 54.13 53.47 1pux s LEU 119 Cb 0.09 -2.09 -0.11 0.00 0.01 0.00 0.00 46.19 44.09 1pux s LEU 119 CO 0.61 0.12 2.60 -0.81 1.01 0.00 0.00 176.35 179.88 1pux n PRO 120 N 0.15 2.33 -1.72 1.29 -0.04 -1.26 -3.50 135.00 132.25 1pux n PRO 120 Ca -0.10 -1.41 -0.29 0.00 -0.04 0.00 0.00 63.50 61.66 1pux n PRO 120 Cb 0.54 -2.35 0.11 0.00 -0.04 0.00 0.00 33.50 31.76 1pux n PRO 120 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pux s LEU 121 N 0.08 2.30 -0.09 1.53 2.01 -1.25 -4.91 118.68 118.35 1pux s LEU 121 Ca 0.51 0.90 -0.39 0.00 0.01 0.00 0.00 54.13 55.16 1pux s LEU 121 Cb 0.17 -3.33 -0.18 0.00 0.01 0.00 0.00 46.19 42.87 1pux s LEU 121 CO -0.03 -2.18 1.41 1.17 1.01 0.00 0.00 176.35 177.73 1pux n LYS 122 N -3.52 0.77 -1.92 1.70 4.81 -1.26 -4.77 118.16 113.97 1pux n LYS 122 Ca 0.07 0.28 -0.42 0.00 -0.87 0.00 0.00 58.31 57.37 1pux n LYS 122 Cb 0.60 -1.89 -0.03 0.00 0.02 0.00 0.00 35.03 33.73 1pux n LYS 122 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pux s SER 123 N 1.43 5.65 0.00 3.14 1.04 -1.26 -4.94 113.70 118.76 1pux s SER 123 Ca 0.92 1.23 0.03 0.00 0.48 0.00 0.00 55.95 58.61 1pux s SER 123 Cb -1.11 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 62.69 1pux s SER 123 CO 0.58 -1.92 0.68 -3.20 0.98 0.00 0.00 173.24 170.36