#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 -2.31 0.00 0.03 0.00 -1.26 -5.05 117.12 108.53 1pux n MET 2 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 57.70 59.45 1pux n MET 2 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 33.22 30.33 1pux n MET 2 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1pux n ASN 3 N -4.22 0.00 -3.62 7.83 6.94 -1.26 -5.17 115.26 115.76 1pux n ASN 3 Ca -0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.48 1pux n ASN 3 Cb 0.62 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.00 1pux n ASN 3 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1pux s GLU 4 N -0.77 0.22 0.02 -3.83 2.12 -1.26 -5.11 118.70 110.08 1pux s GLU 4 Ca 0.00 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.34 1pux s GLU 4 Cb 0.00 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 1pux s GLU 4 CO 0.00 -0.08 -0.04 0.15 -0.54 0.00 0.00 175.26 174.75 1pux s LYS 5 N -1.45 0.32 -0.01 4.30 1.02 -1.26 -2.78 119.74 119.89 1pux s LYS 5 Ca 0.07 -0.53 -0.18 0.00 0.02 0.00 0.00 55.97 55.35 1pux s LYS 5 Cb -0.01 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.30 1pux s LYS 5 CO -0.05 -0.01 0.38 0.42 -0.92 0.00 0.00 175.35 175.17 1pux s ILE 6 N -1.15 0.05 0.04 2.17 1.09 -1.21 -0.36 121.20 121.84 1pux s ILE 6 Ca -0.11 -0.42 0.08 0.00 -1.10 0.00 0.00 60.65 59.10 1pux s ILE 6 Cb -0.08 -0.74 -0.03 0.00 -1.06 0.00 0.00 42.46 40.55 1pux s ILE 6 CO -0.00 -0.23 -0.24 -0.22 -0.10 0.00 0.00 174.94 174.15 1pux s LEU 7 N -1.45 2.16 -0.22 2.97 2.96 0.62 -2.58 118.68 123.13 1pux s LEU 7 Ca -0.11 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 1pux s LEU 7 Cb -0.03 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.57 1pux s LEU 7 CO 0.04 0.22 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.61 1pux s ILE 8 N -0.79 1.35 -0.09 6.68 1.01 0.54 0.50 121.20 130.41 1pux s ILE 8 Ca 0.10 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1pux s ILE 8 Cb -0.09 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1pux s ILE 8 CO 0.02 -0.06 -0.16 -0.69 0.00 0.00 0.00 174.94 174.05 1pux s VAL 9 N 1.49 2.87 0.02 2.92 1.01 0.45 -1.91 120.40 127.26 1pux s VAL 9 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1pux s VAL 9 Cb -0.18 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1pux s VAL 9 CO -0.07 0.56 0.00 0.47 0.00 0.00 0.00 175.10 176.06 1pux n ASP 10 N 2.98 -1.93 0.00 3.32 8.00 -1.15 -3.35 116.55 124.42 1pux n ASP 10 Ca -0.18 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1pux n ASP 10 Cb 0.52 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1pux n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1pux n ASP 11 N -3.89 -4.27 -4.62 -2.24 2.03 -1.26 -4.66 116.55 97.65 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 0.05 -2.24 -0.03 0.00 -0.72 0.00 0.00 41.12 38.19 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 -1.15 3.90 0.00 -0.67 -2.07 -1.26 -4.35 119.66 114.06 1pux s GLN 12 Ca 0.00 0.77 0.00 0.00 -1.82 0.00 0.00 55.36 54.31 1pux s GLN 12 Cb 0.00 -3.80 0.00 0.00 -1.09 0.00 0.00 33.01 28.12 1pux s GLN 12 CO 0.00 -1.04 0.69 0.98 -1.32 0.00 0.00 175.29 174.60 1pux n TYR 13 N 7.08 0.00 0.00 9.60 9.36 -1.26 -4.95 117.16 136.99 1pux n TYR 13 Ca 0.10 -0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.02 1pux n TYR 13 Cb 0.48 0.40 0.00 0.00 -0.63 0.00 0.00 39.34 39.58 1pux n TYR 13 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pux n GLY 14 N 0.00 0.65 0.13 2.98 0.00 -1.26 -4.93 105.19 102.76 1pux n GLY 14 Ca -0.17 0.00 -0.18 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 -1.16 1.69 -0.29 -0.61 -0.00 -1.26 -3.90 119.36 113.83 1pux n ILE 15 Ca 0.00 -0.67 0.14 0.00 -0.00 0.00 0.00 62.75 62.21 1pux n ILE 15 Cb 0.00 -1.51 0.39 0.00 -0.00 0.00 0.00 39.64 38.52 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 0.05 0.64 -0.22 0.38 0.11 -1.92 0.34 114.38 113.76 1pux h ARG 16 Ca -0.43 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 1pux h ARG 16 Cb 2.02 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.95 1pux h ARG 16 CO 0.05 0.42 0.03 0.82 0.10 0.00 0.00 179.97 181.40 1pux h ILE 17 N 0.66 1.23 -0.52 0.08 2.04 -1.97 0.49 117.51 119.52 1pux h ILE 17 Ca 0.49 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.67 1pux h ILE 17 Cb 0.86 1.32 -0.10 0.00 -0.74 0.00 0.00 36.82 38.15 1pux h ILE 17 CO -0.24 0.24 -0.38 0.25 0.00 0.00 0.00 178.15 178.02 1pux h LEU 18 N 0.16 -1.29 -0.73 1.44 6.46 -1.06 1.16 115.31 121.44 1pux h LEU 18 Ca 0.07 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1pux h LEU 18 Cb 0.33 0.60 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1pux h LEU 18 CO 0.01 -0.33 0.00 0.17 -0.62 0.00 0.00 178.44 177.67 1pux h LEU 19 N -0.23 0.00 0.55 2.25 8.10 -1.33 -3.19 115.31 121.46 1pux h LEU 19 Ca 0.19 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.15 1pux h LEU 19 Cb 0.56 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.79 1pux h LEU 19 CO -0.64 0.00 -0.26 -1.13 -4.11 0.00 0.00 178.44 172.30 1pux h ASN 20 N 0.00 -0.62 -0.04 0.17 -0.73 0.60 -2.38 115.58 112.58 1pux h ASN 20 Ca 0.00 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.20 1pux h ASN 20 Cb 0.67 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 39.42 1pux h ASN 20 CO 0.00 -0.27 0.44 -0.08 -0.37 0.00 0.00 177.43 177.15 1pux h GLU 21 N -1.08 0.00 0.27 6.67 4.81 0.29 1.75 114.58 127.29 1pux h GLU 21 Ca -0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1pux h GLU 21 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1pux h GLU 21 CO 0.12 0.00 -0.13 0.28 -0.73 0.00 0.00 179.01 178.55 1pux h VAL 22 N 0.00 0.00 -0.19 0.32 2.07 -1.49 -1.71 116.25 115.25 1pux h VAL 22 Ca 0.02 -0.45 -0.18 0.00 0.82 0.00 0.00 66.70 66.91 1pux h VAL 22 Cb 0.90 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1pux h VAL 22 CO -0.00 0.00 -0.63 2.19 0.02 0.00 0.00 177.57 179.15 1pux h PHE 23 N -0.81 0.86 -0.20 1.57 -5.15 -0.66 -2.96 116.94 109.58 1pux h PHE 23 Ca -0.04 -0.33 -0.02 0.00 -0.20 0.00 0.00 57.97 57.38 1pux h PHE 23 Cb 0.28 -0.15 -0.01 0.00 0.22 0.00 0.00 35.95 36.28 1pux h PHE 23 CO 0.02 1.12 0.02 -0.97 -2.00 0.00 0.00 178.31 176.50 1pux h ASN 24 N 0.49 0.26 -0.47 -0.68 -1.24 0.25 -0.54 115.58 113.65 1pux h ASN 24 Ca -0.01 -0.03 0.14 0.00 0.71 0.00 0.00 56.30 57.11 1pux h ASN 24 Cb 1.21 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 1pux h ASN 24 CO 0.12 0.30 0.50 0.11 -1.29 0.00 0.00 177.43 177.18 1pux h LYS 25 N 0.29 0.00 0.00 6.67 1.57 -1.12 1.09 116.57 125.06 1pux h LYS 25 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1pux h LYS 25 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1pux h LYS 25 CO 0.00 0.00 -1.43 0.39 -0.57 0.00 0.00 179.45 177.84 1pux n GLU 26 N -3.70 0.63 -0.72 3.15 -0.58 -0.23 -4.97 120.64 114.22 1pux n GLU 26 Ca 0.09 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1pux n GLU 26 Cb 0.69 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.29 0.78 3.75 0.62 0.00 0.38 -5.01 105.19 107.00 1pux n GLY 27 Ca -0.06 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 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 2.38 -0.68 1.61 2.02 -1.20 -4.93 117.35 114.55 1pux s TYR 28 Ca 0.00 1.51 -0.26 0.00 -0.37 0.00 0.00 57.07 57.95 1pux s TYR 28 Cb 0.00 -3.49 0.04 0.00 -0.40 0.00 0.00 41.96 38.11 1pux s TYR 28 CO 0.00 -2.24 1.19 -1.14 -1.57 0.00 0.00 175.55 171.79 1pux s GLN 29 N -3.33 3.26 0.25 -0.62 0.74 -1.12 -4.79 119.66 114.06 1pux s GLN 29 Ca 0.78 -0.21 0.11 0.00 0.05 0.00 0.00 55.36 56.09 1pux s GLN 29 Cb -0.31 -4.14 -0.05 0.00 1.10 0.00 0.00 33.01 29.62 1pux s GLN 29 CO 0.33 -1.95 -0.17 0.95 -0.55 0.00 0.00 175.29 173.90 1pux s THR 30 N 5.20 2.66 0.09 -0.34 -4.23 -1.25 -3.28 115.64 114.49 1pux s THR 30 Ca 0.35 -2.19 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1pux s THR 30 Cb -0.09 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1pux s THR 30 CO 0.17 -0.31 0.01 0.12 -0.54 0.00 0.00 174.62 174.06 1pux s PHE 31 N -2.24 0.72 0.05 3.99 5.36 -1.07 -5.00 117.98 119.80 1pux s PHE 31 Ca 0.28 -1.14 0.09 0.00 -0.96 0.00 0.00 56.93 55.20 1pux s PHE 31 Cb -0.06 -0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 42.14 1pux s PHE 31 CO 0.15 -0.42 -0.25 -1.14 -1.46 0.00 0.00 175.22 172.09 1pux s GLN 32 N -3.97 1.68 0.29 10.12 0.74 -1.26 -0.33 119.66 126.93 1pux s GLN 32 Ca 0.16 -1.09 0.04 0.00 0.05 0.00 0.00 55.36 54.51 1pux s GLN 32 Cb 0.08 -1.87 -0.06 0.00 1.10 0.00 0.00 33.01 32.26 1pux s GLN 32 CO -0.04 0.48 0.03 0.00 -0.55 0.00 0.00 175.29 175.21 1pux s ALA 33 N -0.83 2.19 -0.32 1.58 0.00 -0.80 -4.97 121.76 118.61 1pux s ALA 33 Ca 0.11 -1.95 0.12 0.00 0.00 0.00 0.00 51.96 50.23 1pux s ALA 33 Cb -0.10 0.57 0.46 0.00 0.00 0.00 0.00 23.12 24.05 1pux s ALA 33 CO 0.02 -0.27 1.13 0.00 0.00 0.00 0.00 175.76 176.64 1pux n ALA 34 N -0.59 4.25 0.00 0.00 0.00 -1.26 -2.92 120.51 119.98 1pux n ALA 34 Ca -0.03 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1pux n ALA 34 Cb 0.65 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.56 0.00 -0.06 0.00 3.02 -1.26 -4.94 115.26 111.46 1pux n ASN 35 Ca 0.30 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.66 1pux n ASN 35 Cb 0.85 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.08 0.65 7.41 0.00 -1.96 -3.08 103.07 106.17 1pux h GLY 36 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1pux h GLY 36 CO 0.00 0.18 -0.37 -2.00 0.00 0.00 0.00 176.54 174.35 1pux h LEU 37 N -0.81 -0.98 -2.22 3.11 6.46 -1.95 1.34 115.31 120.25 1pux h LEU 37 Ca -0.19 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1pux h LEU 37 Cb 1.30 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 41.55 1pux h LEU 37 CO -0.05 -0.52 0.23 1.56 -0.62 0.00 0.00 178.44 179.04 1pux h GLN 38 N -0.78 0.00 0.07 1.25 4.20 -1.92 0.28 115.11 118.20 1pux h GLN 38 Ca -0.03 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.40 1pux h GLN 38 Cb 0.69 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1pux h GLN 38 CO -0.05 0.00 -1.43 0.00 -0.67 0.00 0.00 178.83 176.68 1pux h ALA 39 N 1.73 0.39 -0.54 3.87 0.00 -0.95 -2.34 119.26 121.42 1pux h ALA 39 Ca 0.09 -1.13 0.02 0.00 0.00 0.00 0.00 54.91 53.90 1pux h ALA 39 Cb 0.54 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1pux h ALA 39 CO -0.00 1.25 0.33 -0.07 0.00 0.00 0.00 179.25 180.76 1pux h LEU 40 N 0.04 0.53 0.17 0.00 3.38 0.53 1.56 115.31 121.52 1pux h LEU 40 Ca -0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1pux h LEU 40 Cb 1.95 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1pux h LEU 40 CO 0.14 0.37 -0.08 -0.78 0.09 0.00 0.00 178.44 178.18 1pux h ASP 41 N 0.65 -0.20 -0.07 -0.43 3.58 -1.46 -2.99 116.42 115.51 1pux h ASP 41 Ca 0.21 -0.33 0.02 0.00 0.42 0.00 0.00 57.03 57.35 1pux h ASP 41 Cb 0.01 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1pux h ASP 41 CO -0.09 0.34 0.13 0.40 -2.88 0.00 0.00 179.24 177.14 1pux h ILE 42 N -0.85 0.27 0.46 2.25 1.08 -1.28 0.53 117.51 119.98 1pux h ILE 42 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1pux h ILE 42 Cb 0.52 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1pux h ILE 42 CO 0.04 0.00 -0.22 0.58 -0.69 0.00 0.00 178.15 177.86 1pux h VAL 43 N 0.00 0.51 -0.05 1.67 2.07 0.24 -0.33 116.25 120.35 1pux h VAL 43 Ca 0.03 -0.31 -0.20 0.00 0.82 0.00 0.00 66.70 67.05 1pux h VAL 43 Cb 0.28 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1pux h VAL 43 CO -0.00 0.05 -0.79 0.74 0.02 0.00 0.00 177.57 177.59 1pux h THR 44 N -0.82 1.39 -0.67 2.57 2.02 -1.13 1.58 112.91 117.85 1pux h THR 44 Ca -0.06 -2.25 0.07 0.00 0.77 0.00 0.00 66.41 64.93 1pux h THR 44 Cb 0.56 2.21 -0.06 0.00 -1.74 0.00 0.00 68.15 69.13 1pux h THR 44 CO 0.10 0.67 0.36 0.50 0.37 0.00 0.00 175.52 177.53 1pux h LYS 45 N 0.26 0.64 -0.02 6.66 3.64 0.05 -1.85 116.57 125.94 1pux h LYS 45 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1pux h LYS 45 Cb 1.39 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1pux h LYS 45 CO 0.14 0.42 -0.33 0.39 -2.27 0.00 0.00 179.45 177.80 1pux n GLU 46 N -4.81 1.52 -3.52 1.90 -0.58 -0.14 -4.99 120.64 110.03 1pux n GLU 46 Ca 0.09 -1.10 -0.08 0.00 -0.42 0.00 0.00 57.16 55.64 1pux n GLU 46 Cb 0.19 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1pux n GLU 46 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1pux n ARG 47 N 0.21 -0.74 -1.80 3.49 1.85 0.54 -4.80 116.66 115.41 1pux n ARG 47 Ca 0.09 -0.27 -0.32 0.00 -1.00 0.00 0.00 57.85 56.36 1pux n ARG 47 Cb 0.44 0.10 0.03 0.00 -1.05 0.00 0.00 32.46 31.98 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 -4.70 3.14 0.00 2.89 0.04 -1.20 -4.88 135.00 130.29 1pux s PRO 48 Ca 0.07 1.05 0.29 0.00 0.04 0.00 0.00 61.00 62.45 1pux s PRO 48 Cb -0.04 -2.01 1.31 0.00 0.04 0.00 0.00 34.50 33.79 1pux s PRO 48 CO 0.19 -0.94 1.90 -0.25 0.04 0.00 0.00 177.00 177.94 1pux n ASP 49 N -2.62 0.57 -3.55 6.66 8.00 0.51 -4.83 116.55 121.30 1pux n ASP 49 Ca 0.08 -0.81 -0.17 0.00 0.71 0.00 0.00 54.79 54.59 1pux n ASP 49 Cb 0.53 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 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 -2.31 -0.54 0.00 0.64 2.96 -1.12 -4.75 118.68 113.55 1pux s LEU 50 Ca 0.34 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.98 1pux s LEU 50 Cb 0.21 2.43 -0.00 0.00 0.50 0.00 0.00 46.19 49.32 1pux s LEU 50 CO 0.43 -0.57 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.18 1pux s VAL 51 N -1.08 0.19 -0.22 1.68 1.01 -1.22 -0.28 120.40 120.49 1pux s VAL 51 Ca -0.10 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1pux s VAL 51 Cb -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.23 1pux s VAL 51 CO 0.09 0.02 -0.16 -0.22 0.00 0.00 0.00 175.10 174.83 1pux s LEU 52 N -0.15 2.71 0.01 3.92 0.20 0.18 -2.19 118.68 123.36 1pux s LEU 52 Ca 0.00 -0.96 0.03 0.00 0.69 0.00 0.00 54.13 53.90 1pux s LEU 52 Cb -0.01 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.22 1pux s LEU 52 CO -0.00 -0.08 -0.10 -0.22 -0.29 0.00 0.00 176.35 175.65 1pux s LEU 53 N 1.22 2.07 0.23 -0.68 1.98 -1.11 0.17 118.68 122.56 1pux s LEU 53 Ca -0.01 -0.27 0.06 0.00 -2.89 0.00 0.00 54.13 51.03 1pux s LEU 53 Cb -0.16 -0.49 -0.04 0.00 0.66 0.00 0.00 46.19 46.16 1pux s LEU 53 CO -0.09 0.07 0.21 -0.62 -1.89 0.00 0.00 176.35 174.03 1pux s ASP 54 N -0.53 5.68 0.00 3.68 2.15 -1.21 -3.06 116.67 123.37 1pux s ASP 54 Ca 0.02 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.84 1pux s ASP 54 Cb -0.05 -1.50 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 1pux s ASP 54 CO 0.00 -0.02 0.05 0.23 -0.17 0.00 0.00 175.17 175.26 1pux n MET 55 N -1.04 0.00 -1.33 4.34 2.81 -1.18 -4.68 117.12 116.04 1pux n MET 55 Ca -0.08 0.21 -0.55 0.00 -1.81 0.00 0.00 57.70 55.47 1pux n MET 55 Cb 0.57 -0.75 -0.11 0.00 -0.71 0.00 0.00 33.22 32.22 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 -1.14 0.30 -4.06 0.03 3.00 -1.26 -2.73 118.16 112.29 1pux n LYS 56 Ca 0.00 0.07 -0.14 0.00 -0.00 0.00 0.00 58.31 58.25 1pux n LYS 56 Cb 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 35.03 33.11 1pux n LYS 56 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1pux s ILE 57 N 6.81 0.35 -0.00 3.15 1.01 -1.26 -4.85 121.20 126.40 1pux s ILE 57 Ca 1.19 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 1pux s ILE 57 Cb -1.28 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1pux s ILE 57 CO 0.59 -0.11 1.20 -2.16 0.00 0.00 0.00 174.94 174.46 1pux s PRO 58 N -0.66 4.39 -0.18 2.79 0.04 -1.26 -3.88 135.00 136.24 1pux s PRO 58 Ca -0.04 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1pux s PRO 58 Cb -0.05 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1pux s PRO 58 CO -0.00 -0.36 0.01 0.41 0.04 0.00 0.00 177.00 177.11 1pux n GLY 59 N 3.30 -3.81 1.85 0.56 0.00 -1.26 -4.85 105.19 100.97 1pux n GLY 59 Ca 0.10 0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 1pux n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pux n MET 60 N 0.49 -0.99 -0.55 1.61 0.00 -1.26 -5.01 117.12 111.40 1pux n MET 60 Ca -0.02 1.15 -0.22 0.00 -0.00 0.00 0.00 57.70 58.60 1pux n MET 60 Cb 0.04 -2.28 0.16 0.00 0.00 0.00 0.00 33.22 31.14 1pux n MET 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1pux n ASP 61 N 0.17 -2.94 -2.61 6.12 5.68 -1.25 -4.80 116.55 116.92 1pux n ASP 61 Ca 0.00 -0.35 -0.33 0.00 -0.50 0.00 0.00 54.79 53.61 1pux n ASP 61 Cb 0.01 -0.81 0.01 0.00 -1.14 0.00 0.00 41.12 39.18 1pux n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pux n GLY 62 N 2.34 5.00 0.10 6.12 0.00 -1.10 -4.43 105.19 113.23 1pux n GLY 62 Ca 0.05 -2.13 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 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 1.81 1.00 0.00 -0.61 2.04 -1.88 -3.30 117.51 116.57 1pux h ILE 63 Ca 0.49 -2.23 -0.17 0.00 1.00 0.00 0.00 64.86 63.95 1pux h ILE 63 Cb 0.45 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1pux h ILE 63 CO 1.19 0.42 -1.03 1.05 0.00 0.00 0.00 178.15 179.77 1pux h GLU 64 N -0.87 0.00 0.67 2.37 4.11 -1.96 -3.06 114.58 115.83 1pux h GLU 64 Ca -0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.09 1pux h GLU 64 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1pux h GLU 64 CO -0.15 0.52 -0.42 0.82 0.07 0.00 0.00 179.01 179.86 1pux h ILE 65 N 0.00 0.00 -0.35 -1.06 1.08 -1.81 0.60 117.51 115.97 1pux h ILE 65 Ca -0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1pux h ILE 65 Cb 1.59 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1pux h ILE 65 CO 0.07 0.00 0.16 -0.07 -0.69 0.00 0.00 178.15 177.62 1pux h LEU 66 N -1.02 0.22 0.06 1.44 -0.00 -1.71 0.25 115.31 114.55 1pux h LEU 66 Ca -0.09 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.82 1pux h LEU 66 Cb 0.82 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.43 1pux h LEU 66 CO 0.09 0.17 -0.36 0.50 -0.00 0.00 0.00 178.44 178.84 1pux h LYS 67 N 0.34 -0.47 -0.90 1.13 3.64 -1.40 -0.08 116.57 118.82 1pux h LYS 67 Ca 0.15 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.73 1pux h LYS 67 Cb 0.08 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1pux h LYS 67 CO -0.12 -0.32 0.58 0.00 -2.27 0.00 0.00 179.45 177.32 1pux h ARG 68 N -0.49 0.60 0.16 1.90 3.08 0.42 0.75 114.38 120.80 1pux h ARG 68 Ca -0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1pux h ARG 68 Cb 0.50 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1pux h ARG 68 CO -0.21 0.40 -0.36 1.98 -1.07 0.00 0.00 179.97 180.71 1pux h MET 69 N 0.62 -0.59 -0.17 0.04 4.05 0.12 1.63 114.93 120.63 1pux h MET 69 Ca 0.46 0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.78 1pux h MET 69 Cb 0.85 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1pux h MET 69 CO -0.21 -0.40 -0.45 1.57 0.23 0.00 0.00 176.91 177.65 1pux h LYS 70 N -0.62 0.61 -0.07 0.39 5.09 -0.19 -0.55 116.57 121.24 1pux h LYS 70 Ca 0.02 -0.43 0.02 0.00 0.09 0.00 0.00 60.65 60.35 1pux h LYS 70 Cb 0.63 0.07 -0.00 0.00 0.10 0.00 0.00 32.23 33.02 1pux h LYS 70 CO -0.19 1.05 0.05 0.28 -2.09 0.00 0.00 179.45 178.55 1pux h VAL 71 N 0.27 0.77 0.00 0.07 2.07 0.74 -2.26 116.25 117.92 1pux h VAL 71 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1pux h VAL 71 Cb 1.07 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1pux h VAL 71 CO 0.10 0.00 -0.00 0.40 0.02 0.00 0.00 177.57 178.09 1pux h ILE 72 N 0.00 1.46 -3.76 4.57 1.08 0.26 -3.46 117.51 117.67 1pux h ILE 72 Ca 0.03 -2.07 -0.44 0.00 -0.39 0.00 0.00 64.86 62.00 1pux h ILE 72 Cb 0.14 2.75 -0.31 0.00 -3.07 0.00 0.00 36.82 36.33 1pux h ILE 72 CO -0.00 0.49 -0.79 1.51 -0.69 0.00 0.00 178.15 178.67 1pux s ASP 73 N -6.08 1.25 0.00 1.72 1.47 -0.23 -5.01 116.67 109.79 1pux s ASP 73 Ca -0.16 -0.19 0.24 0.00 1.18 0.00 0.00 52.55 53.62 1pux s ASP 73 Cb -0.02 -0.38 0.28 0.00 -0.34 0.00 0.00 42.92 42.46 1pux s ASP 73 CO 0.57 0.06 1.26 -1.84 0.68 0.00 0.00 175.17 175.89 1pux n GLU 74 N 3.39 0.46 0.00 2.11 0.28 -1.22 -3.73 120.64 121.92 1pux n GLU 74 Ca -0.19 -0.33 0.11 0.00 -0.16 0.00 0.00 57.16 56.60 1pux n GLU 74 Cb 0.54 -1.49 0.11 0.00 1.43 0.00 0.00 31.44 32.02 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 -0.99 0.84 -4.75 -1.84 5.15 -1.26 -4.92 115.26 107.50 1pux n ASN 75 Ca 0.08 -0.67 -0.41 0.00 -0.60 0.00 0.00 54.58 52.97 1pux n ASN 75 Cb 0.36 0.54 -0.02 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 -2.92 2.60 -0.25 -1.44 2.07 -1.24 -4.99 121.20 115.02 1pux s ILE 76 Ca 0.12 0.51 0.03 0.00 -1.41 0.00 0.00 60.65 59.89 1pux s ILE 76 Cb 0.17 -3.32 0.06 0.00 0.13 0.00 0.00 42.46 39.49 1pux s ILE 76 CO 0.74 0.08 -0.11 -0.60 -1.91 0.00 0.00 174.94 173.14 1pux s ARG 77 N -0.45 2.21 0.04 3.50 3.52 -1.26 -4.93 118.95 121.58 1pux s ARG 77 Ca 0.59 -1.28 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 1pux s ARG 77 Cb -0.42 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1pux s ARG 77 CO 0.44 -0.55 0.04 0.08 -0.81 0.00 0.00 175.30 174.50 1pux s VAL 78 N 1.14 0.16 0.02 7.11 1.01 -1.26 -3.41 120.40 125.16 1pux s VAL 78 Ca -0.08 -1.30 0.09 0.00 0.00 0.00 0.00 61.98 60.68 1pux s VAL 78 Cb -0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1pux s VAL 78 CO -0.06 -0.72 -0.26 -0.63 0.00 0.00 0.00 175.10 173.44 1pux s ILE 79 N -2.95 2.15 0.16 2.22 1.01 -0.93 -2.32 121.20 120.54 1pux s ILE 79 Ca -0.02 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.37 1pux s ILE 79 Cb 0.01 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1pux s ILE 79 CO -0.06 0.45 0.31 0.27 0.00 0.00 0.00 174.94 175.91 1pux s ILE 80 N -0.74 5.29 -0.03 2.92 -5.25 -1.17 -2.76 121.20 119.46 1pux s ILE 80 Ca 0.11 -0.55 -0.01 0.00 -0.99 0.00 0.00 60.65 59.21 1pux s ILE 80 Cb -0.10 -3.73 0.03 0.00 2.95 0.00 0.00 42.46 41.61 1pux s ILE 80 CO 0.01 -0.10 0.05 -0.04 -1.79 0.00 0.00 174.94 173.07 1pux s MET 81 N -3.21 -0.04 0.00 0.37 1.00 -1.17 -2.50 119.30 113.75 1pux s MET 81 Ca 0.36 0.29 0.00 0.00 0.00 0.00 0.00 55.69 56.34 1pux s MET 81 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 34.83 34.38 1pux s MET 81 CO 0.29 -0.24 0.00 -2.37 0.00 0.00 0.00 175.02 172.70 1pux n THR 82 N 4.66 0.00 -0.91 2.05 5.66 -0.98 -3.11 114.28 121.64 1pux n THR 82 Ca -0.18 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.49 1pux n THR 82 Cb 0.50 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.41 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 -0.02 -1.25 -0.76 1.79 0.00 -1.26 -3.11 120.51 115.89 1pux n ALA 83 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 1pux n ALA 83 Cb 0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 -3.53 0.70 -0.09 0.00 0.18 -1.26 -3.78 117.16 109.38 1pux n TYR 84 Ca 0.10 -1.48 -0.09 0.00 1.88 0.00 0.00 57.90 58.31 1pux n TYR 84 Cb 0.52 -0.83 -0.12 0.00 -0.38 0.00 0.00 39.34 38.52 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 1.11 -0.69 2.78 -7.48 0.00 -1.26 -4.55 105.19 95.09 1pux n GLY 85 Ca 0.19 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.71 3.39 -0.34 1.61 0.28 -1.25 -4.77 120.64 116.85 1pux n GLU 86 Ca -0.29 -4.01 0.23 0.00 -0.16 0.00 0.00 57.16 52.94 1pux n GLU 86 Cb 1.00 -2.30 0.47 0.00 1.43 0.00 0.00 31.44 32.04 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 3.11 0.53 -0.76 -1.84 3.38 -1.85 0.53 115.31 118.42 1pux h LEU 87 Ca 0.48 0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.77 1pux h LEU 87 Cb 0.29 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.01 1pux h LEU 87 CO 1.23 -0.08 -0.18 -0.78 0.09 0.00 0.00 178.44 178.72 1pux h ASP 88 N 0.37 -0.68 0.25 -0.43 1.82 -1.98 0.65 116.42 116.40 1pux h ASP 88 Ca 0.72 0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 57.57 1pux h ASP 88 Cb 1.63 0.46 0.00 0.00 0.68 0.00 0.00 39.33 42.10 1pux h ASP 88 CO -0.55 -0.25 -0.12 -0.03 -1.61 0.00 0.00 179.24 176.68 1pux h MET 89 N 0.00 -0.32 -0.97 0.28 4.05 -0.38 -2.61 114.93 114.98 1pux h MET 89 Ca 0.37 0.02 0.30 0.00 -0.28 0.00 0.00 59.70 60.10 1pux h MET 89 Cb 0.57 0.07 -0.15 0.00 -0.80 0.00 0.00 31.60 31.29 1pux h MET 89 CO -0.77 0.04 0.49 0.82 0.23 0.00 0.00 176.91 177.72 1pux h ILE 90 N -0.78 0.32 -0.13 1.77 2.04 -0.52 0.69 117.51 120.90 1pux h ILE 90 Ca -0.03 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1pux h ILE 90 Cb 0.51 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1pux h ILE 90 CO 0.06 0.06 0.06 1.56 0.00 0.00 0.00 178.15 179.89 1pux h GLN 91 N 0.32 0.19 0.00 2.37 1.08 0.33 0.33 115.11 119.73 1pux h GLN 91 Ca 0.68 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.85 1pux h GLN 91 Cb 1.50 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1pux h GLN 91 CO -0.61 0.25 -0.03 0.93 -0.95 0.00 0.00 178.83 178.42 1pux h GLU 92 N 0.09 0.00 0.00 1.46 5.08 0.51 0.12 114.58 121.84 1pux h GLU 92 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pux h GLU 92 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1pux h GLU 92 CO -0.01 0.03 -0.15 0.77 -1.00 0.00 0.00 179.01 178.65 1pux h SER 93 N 0.00 0.00 0.72 1.42 0.02 0.75 -2.74 113.55 113.73 1pux h SER 93 Ca -0.00 -0.84 -0.04 0.00 -0.84 0.00 0.00 61.79 60.07 1pux h SER 93 Cb 0.33 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1pux h SER 93 CO 0.00 1.01 -0.35 0.07 -1.14 0.00 0.00 176.83 176.43 1pux h LYS 94 N -1.00 -0.94 0.00 3.45 2.10 -0.16 -2.13 116.57 117.89 1pux h LYS 94 Ca -0.04 0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1pux h LYS 94 Cb 0.94 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1pux h LYS 94 CO -0.02 -0.60 0.17 1.49 -2.00 0.00 0.00 179.45 178.49 1pux h GLU 95 N -1.13 0.00 0.00 0.07 4.57 -0.95 0.50 114.58 117.65 1pux h GLU 95 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1pux h GLU 95 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1pux h GLU 95 CO 0.16 0.00 0.00 -0.07 -1.18 0.00 0.00 179.01 177.92 1pux h LEU 96 N 0.00 0.00 0.00 1.64 4.07 -1.06 -3.45 115.31 116.51 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 -0.45 1.72 3.87 0.83 0.00 0.17 -4.77 105.19 106.57 1pux n GLY 97 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.05 0.11 4.61 0.00 -0.94 -4.86 121.76 121.73 1pux s ALA 98 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 1pux s ALA 98 Cb 0.00 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 1pux s ALA 98 CO 0.00 -0.80 1.67 -0.07 0.00 0.00 0.00 175.76 176.56 1pux h LEU 99 N -0.40 0.33 -7.31 0.00 -0.00 -1.80 -3.47 115.31 102.66 1pux h LEU 99 Ca -0.44 -0.14 0.31 0.00 -0.00 0.00 0.00 57.88 57.61 1pux h LEU 99 Cb 1.21 -0.09 -0.11 0.00 -0.00 0.00 0.00 40.66 41.67 1pux h LEU 99 CO 0.62 0.38 0.80 0.28 -0.00 0.00 0.00 178.44 180.53 1pux s THR 100 N -5.66 0.00 -0.14 0.22 -1.32 -1.26 -5.04 115.64 102.44 1pux s THR 100 Ca -0.13 -0.26 0.02 0.00 -1.21 0.00 0.00 61.69 60.11 1pux s THR 100 Cb 0.08 -2.06 0.01 0.00 -1.51 0.00 0.00 72.50 69.02 1pux s THR 100 CO 0.72 0.00 -0.19 -1.38 -2.21 0.00 0.00 174.62 171.55 1pux s HIS 101 N -2.46 2.47 0.19 9.09 -3.43 -1.26 -3.02 115.29 116.86 1pux s HIS 101 Ca 0.15 -1.27 0.06 0.00 -0.80 0.00 0.00 55.06 53.19 1pux s HIS 101 Cb 0.04 -1.71 -0.04 0.00 -1.43 0.00 0.00 32.58 29.44 1pux s HIS 101 CO -0.03 -0.61 0.17 -0.06 -2.00 0.00 0.00 174.74 172.20 1pux s PHE 102 N 0.98 3.16 0.00 0.38 0.08 -1.04 -5.04 117.98 116.50 1pux s PHE 102 Ca -0.04 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 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 -0.04 0.52 0.15 0.00 -0.10 0.00 0.00 175.22 175.75 1pux s ALA 103 N -1.88 3.84 0.10 5.36 0.00 -1.25 -2.31 121.76 125.63 1pux s ALA 103 Ca 0.32 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1pux s ALA 103 Cb -0.09 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.27 1pux s ALA 103 CO 0.24 0.74 0.89 1.63 0.00 0.00 0.00 175.76 179.26 1pux n LYS 104 N 0.91 -0.22 -2.30 0.00 5.02 -1.18 -2.97 118.16 117.42 1pux n LYS 104 Ca -0.11 0.87 -0.37 0.00 -2.02 0.00 0.00 58.31 56.68 1pux n LYS 104 Cb 0.52 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 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 -5.36 2.99 0.12 1.97 0.04 -1.26 -4.95 135.00 128.56 1pux s PRO 105 Ca -0.07 -0.22 0.06 0.00 0.04 0.00 0.00 61.00 60.81 1pux s PRO 105 Cb 0.08 -4.69 -0.04 0.00 0.04 0.00 0.00 34.50 29.89 1pux s PRO 105 CO 0.37 -2.59 -0.14 -0.59 0.04 0.00 0.00 177.00 174.09 1pux s PHE 106 N 7.42 1.39 -0.00 0.56 -0.12 -1.16 -5.15 117.98 120.91 1pux s PHE 106 Ca 0.54 -0.56 0.05 0.00 -0.05 0.00 0.00 56.93 56.90 1pux s PHE 106 Cb -0.07 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 1pux s PHE 106 CO 0.07 0.14 -0.14 0.34 -0.05 0.00 0.00 175.22 175.59 1pux s ASP 107 N -2.48 4.10 0.19 1.98 2.15 -1.26 -5.02 116.67 116.34 1pux s ASP 107 Ca 0.09 -0.27 -0.08 0.00 0.43 0.00 0.00 52.55 52.72 1pux s ASP 107 Cb -0.05 -0.82 0.09 0.00 -0.30 0.00 0.00 42.92 41.85 1pux s ASP 107 CO 0.03 0.30 1.66 0.40 -0.17 0.00 0.00 175.17 177.38 1pux h ILE 108 N 4.04 1.26 -0.68 4.11 1.08 -2.01 0.19 117.51 125.50 1pux h ILE 108 Ca -0.47 -1.13 0.05 0.00 -0.39 0.00 0.00 64.86 62.91 1pux h ILE 108 Cb 1.16 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.63 1pux h ILE 108 CO 0.50 0.41 0.40 0.44 -0.69 0.00 0.00 178.15 179.21 1pux h ASP 109 N 0.98 0.61 0.94 1.72 3.32 -1.98 1.11 116.42 123.12 1pux h ASP 109 Ca 0.18 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1pux h ASP 109 Cb 0.54 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1pux h ASP 109 CO 0.03 0.41 -0.54 1.05 -1.72 0.00 0.00 179.24 178.46 1pux h GLU 110 N 0.75 0.00 0.00 3.56 4.11 -1.89 -2.81 114.58 118.30 1pux h GLU 110 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.71 1pux h GLU 110 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pux h GLU 110 CO -0.16 0.54 -0.08 0.82 0.07 0.00 0.00 179.01 180.20 1pux h ILE 111 N 0.00 0.13 0.00 -1.06 2.04 0.98 -3.02 117.51 116.58 1pux h ILE 111 Ca -0.01 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1pux h ILE 111 Cb 1.16 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1pux h ILE 111 CO 0.07 0.07 -0.20 0.03 0.00 0.00 0.00 178.15 178.13 1pux h ARG 112 N 0.00 0.00 0.13 2.37 3.08 0.15 0.11 114.38 120.22 1pux h ARG 112 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1pux h ARG 112 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 1pux h ARG 112 CO 0.01 0.20 -1.42 0.22 -1.07 0.00 0.00 179.97 177.90 1pux h ASP 113 N 0.00 0.41 0.44 7.04 1.82 -1.56 -3.28 116.42 121.29 1pux h ASP 113 Ca -0.00 -0.87 -0.07 0.00 -0.39 0.00 0.00 57.03 55.70 1pux h ASP 113 Cb 0.69 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1pux h ASP 113 CO 0.03 1.63 -0.33 0.00 -1.61 0.00 0.00 179.24 178.95 1pux h ALA 114 N -0.02 1.32 -0.33 -0.78 0.00 -1.42 -2.11 119.26 115.92 1pux h ALA 114 Ca -0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1pux h ALA 114 Cb 1.80 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1pux h ALA 114 CO 0.08 0.41 0.05 0.28 0.00 0.00 0.00 179.25 180.07 1pux h VAL 115 N 0.00 1.17 -0.59 0.00 2.07 -0.87 1.19 116.25 119.21 1pux h VAL 115 Ca -0.00 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1pux h VAL 115 Cb 0.64 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1pux h VAL 115 CO 0.04 0.22 0.37 0.50 0.02 0.00 0.00 177.57 178.72 1pux h LYS 116 N 0.48 0.71 0.22 1.57 3.64 -1.44 0.25 116.57 122.01 1pux h LYS 116 Ca 0.11 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.16 1pux h LYS 116 Cb 0.23 -0.16 0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1pux h LYS 116 CO 0.00 0.47 -1.29 1.57 -2.27 0.00 0.00 179.45 177.94 1pux h LYS 117 N 0.74 0.46 -0.53 1.90 2.10 -1.40 -3.33 116.57 116.51 1pux h LYS 117 Ca 0.23 -0.78 0.10 0.00 -2.00 0.00 0.00 60.65 58.20 1pux h LYS 117 Cb -0.01 0.29 -0.08 0.00 -0.90 0.00 0.00 32.23 31.53 1pux h LYS 117 CO -0.09 1.37 0.07 -0.92 -2.00 0.00 0.00 179.45 177.89 1pux h TYR 118 N -0.03 0.11 -3.33 0.07 5.03 0.17 -3.41 116.97 115.57 1pux h TYR 118 Ca -0.23 0.03 -0.53 0.00 2.58 0.00 0.00 58.73 60.59 1pux h TYR 118 Cb 2.00 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 40.29 1pux h TYR 118 CO 0.15 -0.05 -0.12 -1.17 -1.32 0.00 0.00 178.16 175.65 1pux s LEU 119 N -10.52 4.09 -0.87 2.82 0.20 0.87 -4.95 118.68 110.31 1pux s LEU 119 Ca -0.13 0.82 -0.07 0.00 0.69 0.00 0.00 54.13 55.45 1pux s LEU 119 Cb 0.16 -3.62 -0.11 0.00 -0.43 0.00 0.00 46.19 42.19 1pux s LEU 119 CO 0.73 -0.16 2.59 -0.81 -0.29 0.00 0.00 176.35 178.42 1pux n PRO 120 N -0.62 2.42 -3.06 0.98 -0.04 -1.26 -4.77 135.00 128.64 1pux n PRO 120 Ca -0.01 -1.48 -0.21 0.00 -0.04 0.00 0.00 63.50 61.76 1pux n PRO 120 Cb 0.53 -2.39 0.01 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.68 -0.45 1.53 2.96 -1.25 -4.96 118.68 120.28 1pux s LEU 121 Ca 0.52 0.06 -0.43 0.00 -0.22 0.00 0.00 54.13 54.07 1pux s LEU 121 Cb 0.17 -2.97 -0.17 0.00 0.50 0.00 0.00 46.19 43.71 1pux s LEU 121 CO -0.03 -0.70 2.00 1.17 -1.32 0.00 0.00 176.35 177.46 1pux n LYS 122 N -1.99 0.33 -1.68 1.98 4.81 -1.26 -4.74 118.16 115.61 1pux n LYS 122 Ca 0.02 0.10 -0.48 0.00 -0.87 0.00 0.00 58.31 57.09 1pux n LYS 122 Cb 0.58 -1.74 -0.05 0.00 0.02 0.00 0.00 35.03 33.84 1pux n LYS 122 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1pux n SER 123 N 7.02 3.30 0.00 3.14 3.41 -1.26 -5.01 113.62 124.21 1pux n SER 123 Ca 0.45 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 60.06 1pux n SER 123 Cb 0.02 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 1pux n SER 123 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68