#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puq s LYS 2 N 0.00 3.01 -0.03 3.17 2.47 0.63 -4.99 119.74 124.01 1puq s LYS 2 Ca 0.00 -0.56 -0.01 0.00 -1.56 0.00 0.00 55.97 53.85 1puq s LYS 2 Cb 0.00 -2.82 0.03 0.00 -1.46 0.00 0.00 37.83 33.58 1puq s LYS 2 CO 0.00 0.62 0.04 -1.59 0.16 0.00 0.00 175.35 174.58 1puq s LYS 3 N -1.99 -0.05 -0.11 4.03 -2.85 -1.26 -0.11 119.74 117.41 1puq s LYS 3 Ca 0.26 0.25 -0.05 0.00 -1.00 0.00 0.00 55.97 55.43 1puq s LYS 3 Cb -0.12 -0.34 0.05 0.00 -2.06 0.00 0.00 37.83 35.36 1puq s LYS 3 CO 0.17 -0.22 0.23 -0.48 0.10 0.00 0.00 175.35 175.15 1puq s LEU 4 N 1.45 0.25 0.12 2.77 0.05 0.17 -4.94 118.68 118.55 1puq s LEU 4 Ca -0.04 0.50 0.04 0.00 0.05 0.00 0.00 54.13 54.68 1puq s LEU 4 Cb -0.13 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.63 1puq s LEU 4 CO -0.03 -0.19 0.13 -1.10 -0.55 0.00 0.00 176.35 174.62 1puq s GLN 5 N 1.59 2.99 -0.12 1.48 -0.21 -1.26 -1.27 119.66 122.86 1puq s GLN 5 Ca -0.06 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.54 1puq s GLN 5 Cb -0.11 -2.74 0.06 0.00 1.00 0.00 0.00 33.01 31.21 1puq s GLN 5 CO -0.08 0.53 0.25 0.42 -2.12 0.00 0.00 175.29 174.29 1puq s ILE 6 N -1.57 -0.28 -0.11 1.08 1.09 0.48 -3.50 121.20 118.37 1puq s ILE 6 Ca 0.31 0.25 0.02 0.00 -1.10 0.00 0.00 60.65 60.12 1puq s ILE 6 Cb -0.11 -0.41 0.01 0.00 -1.06 0.00 0.00 42.46 40.89 1puq s ILE 6 CO 0.24 0.10 -0.16 0.00 -0.10 0.00 0.00 174.94 175.02 1puq s ALA 7 N 2.05 1.71 0.19 9.38 0.00 -1.26 0.56 121.76 134.38 1puq s ALA 7 Ca -0.02 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1puq s ALA 7 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 1puq s ALA 7 CO -0.08 -0.06 -0.06 0.14 0.00 0.00 0.00 175.76 175.70 1puq s VAL 8 N 0.95 1.13 -0.16 0.00 -7.23 0.28 -2.60 120.40 112.77 1puq s VAL 8 Ca -0.07 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.01 1puq s VAL 8 Cb -0.15 -2.08 0.06 0.00 0.56 0.00 0.00 36.38 34.77 1puq s VAL 8 CO -0.01 -0.55 0.06 -0.83 -0.31 0.00 0.00 175.10 173.45 1puq s GLY 9 N -3.23 0.49 -0.46 2.32 0.00 -0.69 0.11 107.32 105.85 1puq s GLY 9 Ca 0.22 -0.41 -0.28 0.00 0.00 0.00 0.00 44.72 44.25 1puq s GLY 9 CO 0.04 1.53 1.73 -0.26 0.00 0.00 0.00 173.10 176.15 1puq s ILE 10 N 2.01 3.52 0.00 0.90 -4.36 -0.55 -4.50 121.20 118.23 1puq s ILE 10 Ca 0.01 0.47 -0.30 0.00 -0.26 0.00 0.00 60.65 60.57 1puq s ILE 10 Cb -0.16 -3.90 -0.05 0.00 1.25 0.00 0.00 42.46 39.60 1puq s ILE 10 CO -0.08 -0.71 1.35 -0.63 0.24 0.00 0.00 174.94 175.12 1puq s ILE 11 N 7.37 3.80 -0.13 8.37 1.01 -1.25 -2.65 121.20 137.72 1puq s ILE 11 Ca 0.70 1.19 -0.10 0.00 0.00 0.00 0.00 60.65 62.45 1puq s ILE 11 Cb -0.17 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1puq s ILE 11 CO 0.28 0.01 0.19 -0.13 0.00 0.00 0.00 174.94 175.29 1puq s ARG 12 N 2.21 3.80 0.22 2.79 0.52 -1.25 0.16 118.95 127.40 1puq s ARG 12 Ca 0.62 -0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 1puq s ARG 12 Cb -0.30 -3.29 0.04 0.00 0.52 0.00 0.00 34.95 31.92 1puq s ARG 12 CO 0.26 0.57 0.30 0.27 0.02 0.00 0.00 175.30 176.72 1puq n ASN 13 N 2.58 0.60 0.00 0.23 6.94 0.27 -3.18 115.26 122.71 1puq n ASN 13 Ca -0.17 -1.46 0.08 0.00 -0.02 0.00 0.00 54.58 53.01 1puq n ASN 13 Cb 0.53 -0.18 0.48 0.00 -2.36 0.00 0.00 39.78 38.25 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1puq n GLU 14 N -1.52 0.47 -1.10 -3.83 2.13 -1.26 -3.15 120.64 112.39 1puq n GLU 14 Ca 0.06 0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.86 1puq n GLU 14 Cb 0.20 -1.50 0.14 0.00 0.27 0.00 0.00 31.44 30.56 1puq n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1puq n ASN 15 N -1.05 2.71 -0.59 4.31 4.05 -1.26 -4.93 115.26 118.50 1puq n ASN 15 Ca 0.12 -3.79 -0.07 0.00 0.45 0.00 0.00 54.58 51.28 1puq n ASN 15 Cb 0.07 -0.46 -0.03 0.00 1.23 0.00 0.00 39.78 40.58 1puq n ASN 15 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1puq n ASN 16 N -0.95 -5.40 -4.92 1.20 4.13 -1.19 -4.94 115.26 103.19 1puq n ASN 16 Ca 0.26 0.18 -0.21 0.00 1.68 0.00 0.00 54.58 56.50 1puq n ASN 16 Cb 0.79 -3.77 -0.03 0.00 -1.54 0.00 0.00 39.78 35.24 1puq n ASN 16 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1puq s GLU 17 N -2.54 3.20 -0.14 3.52 2.02 -1.26 -4.62 118.70 118.88 1puq s GLU 17 Ca 0.00 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.09 1puq s GLU 17 Cb 0.00 -2.76 0.01 0.00 0.10 0.00 0.00 34.13 31.48 1puq s GLU 17 CO 0.00 0.34 -0.21 -1.50 0.02 0.00 0.00 175.26 173.91 1puq s ILE 18 N -2.08 1.99 -0.15 -1.63 2.07 0.29 0.98 121.20 122.67 1puq s ILE 18 Ca 0.36 -0.93 -0.29 0.00 -1.41 0.00 0.00 60.65 58.37 1puq s ILE 18 Cb -0.09 -1.76 -0.02 0.00 0.13 0.00 0.00 42.46 40.72 1puq s ILE 18 CO 0.28 0.53 1.31 0.12 -1.91 0.00 0.00 174.94 175.28 1puq s PHE 19 N 0.88 2.75 0.08 3.50 2.19 0.42 -3.01 117.98 124.79 1puq s PHE 19 Ca -0.06 0.91 0.06 0.00 0.33 0.00 0.00 56.93 58.17 1puq s PHE 19 Cb -0.15 -3.55 -0.03 0.00 -1.31 0.00 0.00 43.02 37.97 1puq s PHE 19 CO -0.03 -1.97 -0.16 0.42 1.83 0.00 0.00 175.22 175.31 1puq s ILE 20 N 3.53 1.29 -0.32 3.12 1.01 -1.24 -3.80 121.20 124.79 1puq s ILE 20 Ca 0.57 -1.40 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 1puq s ILE 20 Cb -0.23 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1puq s ILE 20 CO 0.17 -0.20 1.61 0.42 0.00 0.00 0.00 174.94 176.94 1puq s THR 21 N -1.32 3.70 -0.10 2.92 -4.23 0.36 -3.50 115.64 113.48 1puq s THR 21 Ca 0.01 0.74 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1puq s THR 21 Cb -0.10 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.92 1puq s THR 21 CO 0.03 -0.47 -0.14 -0.60 -0.54 0.00 0.00 174.62 172.90 1puq s ARG 22 N 5.08 2.02 1.96 3.99 3.52 -1.25 -0.80 118.95 133.47 1puq s ARG 22 Ca 0.71 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 1puq s ARG 22 Cb -0.20 -1.73 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 1puq s ARG 22 CO 0.31 -0.05 0.00 -2.13 -0.81 0.00 0.00 175.30 172.62 1puq n ARG 23 N 4.15 0.00 -3.11 5.12 0.63 -1.24 -4.77 116.66 117.43 1puq n ARG 23 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1puq n ARG 23 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1puq n ALA 24 N 7.75 0.00 -1.27 5.13 0.00 -1.26 -4.53 120.51 126.34 1puq n ALA 24 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1puq n ALA 24 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1puq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1puq n ALA 25 N 0.00 5.29 0.05 0.00 0.00 -1.26 -4.65 120.51 119.94 1puq n ALA 25 Ca 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1puq n ALA 25 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1puq n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1puq n ASP 26 N -1.10 -0.90 -3.65 0.00 5.75 -1.26 -5.15 116.55 110.25 1puq n ASP 26 Ca 0.54 0.29 0.01 0.00 -0.01 0.00 0.00 54.79 55.62 1puq n ASP 26 Cb 1.53 1.08 -0.06 0.00 -1.03 0.00 0.00 41.12 42.63 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1puq s ALA 27 N -2.00 -2.57 0.00 2.12 0.00 -1.26 -5.19 121.76 112.86 1puq s ALA 27 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1puq s ALA 27 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1puq s ALA 27 CO 0.00 -0.26 0.00 0.72 0.00 0.00 0.00 175.76 176.22 1puq n HIS 28 N 2.71 0.00 -2.14 0.00 8.25 -1.26 -4.85 115.22 117.93 1puq n HIS 28 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 1puq n HIS 28 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 1puq n HIS 28 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1puq s MET 29 N -0.04 3.19 0.54 -0.41 -1.94 -1.26 -4.84 119.30 114.53 1puq s MET 29 Ca 0.00 0.96 0.36 0.00 -1.71 0.00 0.00 55.69 55.29 1puq s MET 29 Cb 0.00 -4.20 1.74 0.00 2.01 0.00 0.00 34.83 34.38 1puq s MET 29 CO 0.00 -2.05 2.08 0.00 -0.01 0.00 0.00 175.02 175.04 1puq h ALA 30 N 12.72 1.00 -0.85 3.03 0.00 -1.95 -2.26 119.26 130.95 1puq h ALA 30 Ca -0.29 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.17 1puq h ALA 30 Cb 1.14 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.67 1puq h ALA 30 CO 1.12 0.00 0.57 -1.71 0.00 0.00 0.00 179.25 179.23 1puq n ASN 31 N -2.90 3.86 -0.90 0.00 2.85 -1.26 -4.24 115.26 112.66 1puq n ASN 31 Ca -0.01 -3.38 0.02 0.00 -0.11 0.00 0.00 54.58 51.10 1puq n ASN 31 Cb 0.17 -0.80 0.21 0.00 1.24 0.00 0.00 39.78 40.60 1puq n ASN 31 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1puq n LYS 32 N -0.88 2.01 -1.36 1.20 5.02 -0.85 -4.11 118.16 119.19 1puq n LYS 32 Ca 0.51 -3.04 -0.24 0.00 -2.02 0.00 0.00 58.31 53.52 1puq n LYS 32 Cb 1.45 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 34.59 1puq n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1puq n LEU 33 N -1.01 1.50 0.00 -0.35 7.94 -1.24 -4.59 117.00 119.24 1puq n LEU 33 Ca 0.27 -2.33 -0.01 0.00 -1.11 0.00 0.00 56.01 52.82 1puq n LEU 33 Cb 0.91 -1.43 -0.00 0.00 0.53 0.00 0.00 43.42 43.43 1puq n LEU 33 CO 0.13 -3.03 -0.01 -0.62 -1.11 0.00 0.00 177.39 172.76 1puq n GLU 34 N 8.08 1.74 -4.54 1.96 1.02 0.02 -4.25 120.64 124.68 1puq n GLU 34 Ca 0.43 -0.16 -0.27 0.00 -0.02 0.00 0.00 57.16 57.14 1puq n GLU 34 Cb 0.46 0.03 -0.10 0.00 -0.02 0.00 0.00 31.44 31.81 1puq n GLU 34 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1puq s PHE 35 N -0.68 2.49 0.66 -0.32 0.40 -1.26 -0.49 117.98 118.79 1puq s PHE 35 Ca 0.01 -0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 55.66 1puq s PHE 35 Cb -0.00 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 41.90 1puq s PHE 35 CO 0.00 0.47 0.99 -1.25 0.70 0.00 0.00 175.22 176.14 1puq s PRO 36 N -3.70 2.62 0.00 0.24 0.04 -1.26 -4.51 135.00 128.44 1puq s PRO 36 Ca 0.35 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1puq s PRO 36 Cb 0.07 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1puq s PRO 36 CO 0.18 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1puq n GLY 37 N -2.82 0.32 3.63 0.56 0.00 -1.26 -1.71 105.19 103.91 1puq n GLY 37 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1puq n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1puq s GLY 38 N -1.55 1.66 0.00 -0.02 0.00 -1.07 -3.57 107.32 102.76 1puq s GLY 38 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1puq s GLY 38 CO 0.00 0.94 0.00 1.17 0.00 0.00 0.00 173.10 175.21 1puq n LYS 39 N -4.42 0.00 -0.03 2.90 4.81 -1.26 -4.90 118.16 115.26 1puq n LYS 39 Ca 0.10 0.00 0.24 0.00 -0.87 0.00 0.00 58.31 57.78 1puq n LYS 39 Cb 0.52 -1.96 0.72 0.00 0.02 0.00 0.00 35.03 34.34 1puq n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1puq h ILE 40 N 0.00 0.45 -0.90 3.15 3.07 -1.77 -2.02 117.51 119.49 1puq h ILE 40 Ca 0.00 0.00 0.11 0.00 1.55 0.00 0.00 64.86 66.52 1puq h ILE 40 Cb 0.00 0.59 -0.13 0.00 -0.27 0.00 0.00 36.82 37.01 1puq h ILE 40 CO 0.00 0.00 -0.51 1.05 -1.05 0.00 0.00 178.15 177.64 1puq h GLU 41 N 0.00 -0.06 0.00 0.16 -0.00 -1.90 -3.32 114.58 109.46 1puq h GLU 41 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.66 1puq h GLU 41 Cb 1.39 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.15 1puq h GLU 41 CO -0.00 -0.04 0.00 -1.33 -0.00 0.00 0.00 179.01 177.64 1puq n MET 42 N -5.35 0.00 0.00 1.06 2.81 -0.76 -3.85 117.12 111.03 1puq n MET 42 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1puq n MET 42 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.83 1puq n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1puq n GLY 43 N 0.00 0.00 1.64 3.03 0.00 -1.25 -5.16 105.19 103.46 1puq n GLY 43 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1puq n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1puq n GLU 44 N 0.00 -0.00 -3.80 1.61 4.71 -1.25 -5.09 120.64 116.82 1puq n GLU 44 Ca 0.00 -1.05 -0.28 0.00 -0.01 0.00 0.00 57.16 55.81 1puq n GLU 44 Cb 0.00 -0.39 -0.03 0.00 -1.01 0.00 0.00 31.44 30.01 1puq n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1puq s THR 45 N -1.56 5.27 0.60 2.62 2.01 -1.26 -4.77 115.64 118.55 1puq s THR 45 Ca 0.30 -0.40 0.28 0.00 0.31 0.00 0.00 61.69 62.18 1puq s THR 45 Cb -0.01 -3.70 0.40 0.00 0.01 0.00 0.00 72.50 69.19 1puq s THR 45 CO 0.20 -0.06 1.49 1.55 -0.69 0.00 0.00 174.62 177.11 1puq h PRO 46 N 2.37 0.00 0.00 4.92 0.13 -1.99 1.27 132.00 138.69 1puq h PRO 46 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1puq h PRO 46 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1puq h PRO 46 CO 0.70 0.00 -2.18 0.39 -0.23 0.00 0.00 178.00 176.68 1puq n GLU 47 N -3.39 0.55 0.00 0.86 4.71 -1.26 -4.46 120.64 117.65 1puq n GLU 47 Ca 0.19 0.12 0.14 0.00 -0.01 0.00 0.00 57.16 57.60 1puq n GLU 47 Cb 1.28 -1.42 0.66 0.00 -1.01 0.00 0.00 31.44 30.96 1puq n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1puq n GLN 48 N -3.09 0.15 0.26 3.49 6.02 0.02 -3.34 117.38 120.89 1puq n GLN 48 Ca -0.36 -0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.46 1puq n GLN 48 Cb 0.90 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.57 1puq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1puq h ALA 49 N 3.15 -0.61 0.04 -1.58 0.00 0.13 0.26 119.26 120.65 1puq h ALA 49 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1puq h ALA 49 Cb 0.43 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1puq h ALA 49 CO 0.00 -0.83 -0.33 -0.39 0.00 0.00 0.00 179.25 177.71 1puq h VAL 50 N -0.65 1.61 -0.92 0.00 -1.51 -1.81 -2.23 116.25 110.74 1puq h VAL 50 Ca -0.06 -2.22 0.14 0.00 -1.23 0.00 0.00 66.70 63.33 1puq h VAL 50 Cb 0.49 3.06 -0.08 0.00 -2.13 0.00 0.00 31.29 32.63 1puq h VAL 50 CO 0.10 0.60 0.59 0.58 -1.23 0.00 0.00 177.57 178.22 1puq h VAL 51 N -0.61 0.85 0.02 7.19 2.07 -1.62 0.84 116.25 124.99 1puq h VAL 51 Ca -0.05 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1puq h VAL 51 Cb 1.17 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1puq h VAL 51 CO 0.06 0.14 -0.01 -0.09 0.02 0.00 0.00 177.57 177.69 1puq h ARG 52 N 0.77 -0.02 0.00 1.57 9.65 -1.03 -3.30 114.38 122.02 1puq h ARG 52 Ca 0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.35 1puq h ARG 52 Cb 0.67 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1puq h ARG 52 CO -0.23 0.72 0.00 0.93 2.80 0.00 0.00 179.97 184.20 1puq h GLU 53 N -0.94 0.00 -0.50 0.20 4.39 -1.06 -2.86 114.58 113.81 1puq h GLU 53 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1puq h GLU 53 Cb 0.76 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1puq h GLU 53 CO 0.00 0.00 0.29 -0.07 -1.16 0.00 0.00 179.01 178.07 1puq h LEU 54 N 0.00 0.61 -1.06 1.33 4.07 0.64 1.54 115.31 122.43 1puq h LEU 54 Ca 0.00 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.83 1puq h LEU 54 Cb 0.26 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1puq h LEU 54 CO 0.00 0.50 0.00 1.56 -1.08 0.00 0.00 178.44 179.43 1puq h GLN 55 N 0.66 0.67 0.00 1.13 7.50 -1.64 1.37 115.11 124.81 1puq h GLN 55 Ca 0.18 -0.16 -0.12 0.00 0.50 0.00 0.00 58.65 59.05 1puq h GLN 55 Cb 0.02 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.44 1puq h GLN 55 CO -0.03 0.68 -0.56 1.49 -1.50 0.00 0.00 178.83 178.91 1puq h GLU 56 N 0.63 0.00 -0.24 1.46 4.81 -1.38 0.38 114.58 120.25 1puq h GLU 56 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1puq h GLU 56 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1puq h GLU 56 CO 0.01 0.56 0.00 0.39 -0.73 0.00 0.00 179.01 179.24 1puq n GLU 57 N -3.35 1.96 0.00 1.92 -0.58 0.52 0.12 120.64 121.23 1puq n GLU 57 Ca 0.01 -1.79 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 1puq n GLU 57 Cb 0.71 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1puq n VAL 58 N 0.78 0.00 0.00 2.62 0.31 0.46 -4.05 118.33 118.46 1puq n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1puq n VAL 58 Cb 0.42 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1puq n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 59 N 2.00 0.50 2.93 2.92 0.00 0.13 0.28 105.19 113.95 1puq n GLY 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1puq n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1puq n ILE 60 N 0.00 0.00 -3.74 -0.61 -5.35 -1.26 -4.87 119.36 103.53 1puq n ILE 60 Ca 0.00 -0.68 -0.35 0.00 -0.27 0.00 0.00 62.75 61.45 1puq n ILE 60 Cb 0.00 -1.53 -0.10 0.00 -1.74 0.00 0.00 39.64 36.27 1puq n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1puq s THR 61 N -3.10 3.62 0.11 7.28 -4.23 -1.26 -4.94 115.64 113.12 1puq s THR 61 Ca 0.58 -3.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.00 1puq s THR 61 Cb -0.02 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1puq s THR 61 CO 0.41 -0.90 -0.02 -2.16 -0.54 0.00 0.00 174.62 171.42 1puq s PRO 62 N -0.28 2.43 -1.24 3.99 0.04 -1.26 -3.29 135.00 135.39 1puq s PRO 62 Ca 0.18 -0.93 -0.20 0.00 0.04 0.00 0.00 61.00 60.09 1puq s PRO 62 Cb -0.19 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1puq s PRO 62 CO -0.04 0.52 1.84 1.04 0.04 0.00 0.00 177.00 180.40 1puq n GLN 63 N 0.46 2.38 -4.64 4.56 6.02 0.21 -4.84 117.38 121.52 1puq n GLN 63 Ca -0.11 -2.85 -0.28 0.00 -0.01 0.00 0.00 57.00 53.75 1puq n GLN 63 Cb 0.53 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 1puq n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1puq s HIS 64 N 7.68 1.86 0.00 1.08 2.46 -1.25 0.45 115.29 127.58 1puq s HIS 64 Ca 0.61 -0.79 0.00 0.00 0.47 0.00 0.00 55.06 55.35 1puq s HIS 64 Cb 0.02 -1.33 0.00 0.00 -0.13 0.00 0.00 32.58 31.14 1puq s HIS 64 CO 0.11 -0.39 0.00 0.34 -2.47 0.00 0.00 174.74 172.33 1puq n PHE 65 N 3.93 -0.03 -0.97 3.88 7.35 -1.14 -4.95 117.46 125.53 1puq n PHE 65 Ca -0.20 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.12 1puq n PHE 65 Cb 0.52 0.01 0.05 0.00 0.35 0.00 0.00 39.48 40.40 1puq n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1puq n SER 66 N -0.78 -4.65 -4.21 -2.13 7.64 0.14 -4.59 113.62 105.05 1puq n SER 66 Ca 0.00 0.12 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 1puq n SER 66 Cb 0.00 -0.72 -0.15 0.00 -1.01 0.00 0.00 64.21 62.33 1puq n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1puq s LEU 67 N 6.96 2.45 -0.16 -3.43 0.20 -1.26 0.15 118.68 123.60 1puq s LEU 67 Ca 0.41 -0.53 -0.13 0.00 0.69 0.00 0.00 54.13 54.56 1puq s LEU 67 Cb -0.09 -1.59 -0.08 0.00 -0.43 0.00 0.00 46.19 44.00 1puq s LEU 67 CO 0.76 0.00 -0.00 0.15 -0.29 0.00 0.00 176.35 176.97 1puq h PHE 68 N 7.94 0.00 -1.77 5.38 3.04 -1.68 -3.39 116.94 126.45 1puq h PHE 68 Ca -0.43 0.00 0.22 0.00 3.98 0.00 0.00 57.97 61.74 1puq h PHE 68 Cb 1.15 0.00 -0.16 0.00 2.56 0.00 0.00 35.95 39.50 1puq h PHE 68 CO 0.52 0.48 0.70 -2.00 -2.02 0.00 0.00 178.31 175.98 1puq s GLU 69 N -2.20 0.54 -0.06 1.11 2.12 0.16 -4.95 118.70 115.42 1puq s GLU 69 Ca -0.17 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 1puq s GLU 69 Cb 0.03 0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.68 1puq s GLU 69 CO 0.32 -0.24 0.14 -1.59 -0.54 0.00 0.00 175.26 173.35 1puq s LYS 70 N -2.69 0.10 -0.07 4.30 -2.85 -1.26 0.10 119.74 117.37 1puq s LYS 70 Ca 0.09 0.32 0.05 0.00 -1.00 0.00 0.00 55.97 55.44 1puq s LYS 70 Cb -0.00 -0.13 -0.00 0.00 -2.06 0.00 0.00 37.83 35.63 1puq s LYS 70 CO -0.05 -0.14 -0.23 -1.17 0.10 0.00 0.00 175.35 173.87 1puq s LEU 71 N 0.95 2.02 -0.21 2.77 2.96 0.11 -4.95 118.68 122.33 1puq s LEU 71 Ca -0.07 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1puq s LEU 71 Cb -0.09 -1.28 0.06 0.00 0.50 0.00 0.00 46.19 45.38 1puq s LEU 71 CO -0.05 0.19 0.00 -0.70 -1.32 0.00 0.00 176.35 174.47 1puq s GLU 72 N 0.08 1.05 -0.00 1.98 2.12 -1.26 -1.06 118.70 121.60 1puq s GLU 72 Ca -0.09 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 54.55 1puq s GLU 72 Cb -0.15 -2.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.93 1puq s GLU 72 CO 0.05 -0.64 0.03 1.52 -0.54 0.00 0.00 175.26 175.68 1puq s TYR 73 N 1.66 0.07 -0.05 5.30 1.13 -1.15 -5.06 117.35 119.26 1puq s TYR 73 Ca -0.03 -0.14 0.06 0.00 -1.41 0.00 0.00 57.07 55.55 1puq s TYR 73 Cb -0.18 -0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 1puq s TYR 73 CO -0.08 -0.12 -0.24 -1.83 -2.51 0.00 0.00 175.55 170.78 1puq s GLU 74 N -0.67 2.35 0.30 -3.49 -1.05 -1.26 -2.29 118.70 112.58 1puq s GLU 74 Ca -0.07 -0.86 0.06 0.00 -0.15 0.00 0.00 54.97 53.94 1puq s GLU 74 Cb -0.05 -2.03 -0.02 0.00 -0.44 0.00 0.00 34.13 31.59 1puq s GLU 74 CO -0.00 0.38 0.44 -0.06 0.95 0.00 0.00 175.26 176.97 1puq s PHE 75 N -0.20 3.26 -0.88 4.83 0.08 0.33 -4.92 117.98 120.48 1puq s PHE 75 Ca -0.02 -0.11 -0.22 0.00 0.12 0.00 0.00 56.93 56.70 1puq s PHE 75 Cb -0.13 -1.84 -0.19 0.00 -0.57 0.00 0.00 43.02 40.29 1puq s PHE 75 CO 0.03 0.15 1.99 -0.35 -0.10 0.00 0.00 175.22 176.94 1puq n PRO 76 N -1.57 0.13 -0.03 0.24 -0.04 -1.26 -0.23 135.00 132.24 1puq n PRO 76 Ca -0.04 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1puq n PRO 76 Cb 0.58 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 1puq n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1puq n ASP 77 N 17.19 -0.03 -3.56 3.54 2.03 -1.26 -5.02 116.55 129.44 1puq n ASP 77 Ca 0.36 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.38 1puq n ASP 77 Cb 0.46 -0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.72 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1puq s ARG 78 N -0.97 0.56 -0.53 -0.67 3.52 0.68 -0.26 118.95 121.27 1puq s ARG 78 Ca 0.00 -1.13 -0.21 0.00 -0.13 0.00 0.00 55.73 54.26 1puq s ARG 78 Cb 0.00 -1.51 0.06 0.00 -1.56 0.00 0.00 34.95 31.94 1puq s ARG 78 CO 0.00 -1.11 0.75 -1.58 -0.81 0.00 0.00 175.30 172.55 1puq s HIS 79 N 1.39 2.94 -0.15 5.12 5.65 0.85 0.12 115.29 131.21 1puq s HIS 79 Ca 0.14 -0.38 -0.05 0.00 0.25 0.00 0.00 55.06 55.01 1puq s HIS 79 Cb -0.20 -3.78 -0.03 0.00 -1.18 0.00 0.00 32.58 27.39 1puq s HIS 79 CO -0.15 -1.18 0.02 -1.50 -0.65 0.00 0.00 174.74 171.27 1puq s ILE 80 N 3.15 4.40 -0.19 0.89 2.07 -0.97 0.42 121.20 130.97 1puq s ILE 80 Ca 0.20 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1puq s ILE 80 Cb -0.17 -2.93 0.02 0.00 0.13 0.00 0.00 42.46 39.51 1puq s ILE 80 CO 0.14 0.51 -0.18 0.42 -1.91 0.00 0.00 174.94 173.92 1puq s THR 81 N 0.03 2.15 -0.25 4.00 -4.23 -0.40 -2.92 115.64 114.03 1puq s THR 81 Ca 0.03 -1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1puq s THR 81 Cb -0.13 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.79 1puq s THR 81 CO 0.02 0.46 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.25 1puq s LEU 82 N 1.28 3.15 -0.22 4.79 1.98 -0.23 0.18 118.68 129.61 1puq s LEU 82 Ca 0.03 -1.00 -0.06 0.00 -2.89 0.00 0.00 54.13 50.21 1puq s LEU 82 Cb -0.14 -1.61 -0.03 0.00 0.66 0.00 0.00 46.19 45.07 1puq s LEU 82 CO -0.11 -0.13 0.03 0.26 -1.89 0.00 0.00 176.35 174.50 1puq s TRP 83 N 1.26 3.06 -0.35 5.38 0.52 0.19 0.09 118.94 129.09 1puq s TRP 83 Ca -0.02 -0.45 -0.08 0.00 0.02 0.00 0.00 56.10 55.57 1puq s TRP 83 Cb -0.17 -2.15 0.04 0.00 -1.15 0.00 0.00 33.47 30.04 1puq s TRP 83 CO -0.06 -0.29 0.14 -0.06 0.02 0.00 0.00 176.95 176.70 1puq s PHE 84 N 1.26 3.26 0.07 -1.98 0.40 0.29 0.98 117.98 122.26 1puq s PHE 84 Ca 0.04 -1.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.02 1puq s PHE 84 Cb -0.15 -2.36 -0.05 0.00 0.51 0.00 0.00 43.02 40.97 1puq s PHE 84 CO 0.02 -0.72 0.27 -1.58 0.70 0.00 0.00 175.22 173.91 1puq s TRP 85 N 1.44 3.52 -0.03 0.36 0.52 0.30 0.37 118.94 125.42 1puq s TRP 85 Ca -0.00 0.42 -0.14 0.00 0.02 0.00 0.00 56.10 56.40 1puq s TRP 85 Cb -0.20 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.18 1puq s TRP 85 CO 0.04 0.56 0.38 -1.17 0.02 0.00 0.00 176.95 176.77 1puq s LEU 86 N -2.33 4.43 0.07 2.99 2.96 0.40 -1.48 118.68 125.73 1puq s LEU 86 Ca 0.34 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 55.22 1puq s LEU 86 Cb -0.13 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1puq s LEU 86 CO 0.23 0.29 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.60 1puq s VAL 87 N -0.82 2.12 -0.11 1.68 1.01 -1.08 0.27 120.40 123.47 1puq s VAL 87 Ca 0.23 -1.47 0.12 0.00 0.00 0.00 0.00 61.98 60.86 1puq s VAL 87 Cb -0.16 -1.83 -0.17 0.00 0.00 0.00 0.00 36.38 34.22 1puq s VAL 87 CO 0.12 0.28 0.09 1.21 0.00 0.00 0.00 175.10 176.79 1puq n GLU 88 N 1.56 1.64 -3.65 2.72 2.13 0.61 -3.74 120.64 121.90 1puq n GLU 88 Ca -0.17 -0.03 -0.07 0.00 0.66 0.00 0.00 57.16 57.55 1puq n GLU 88 Cb 0.52 -1.34 -0.02 0.00 0.27 0.00 0.00 31.44 30.88 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1puq s ARG 89 N -2.42 1.29 -0.23 5.31 3.52 0.17 -4.61 118.95 121.99 1puq s ARG 89 Ca -0.06 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.82 1puq s ARG 89 Cb 0.05 0.50 0.09 0.00 -1.56 0.00 0.00 34.95 34.03 1puq s ARG 89 CO 0.55 -0.58 0.52 1.67 -0.81 0.00 0.00 175.30 176.65 1puq s TRP 90 N -3.53 -0.94 0.44 5.12 -2.14 -1.24 0.66 118.94 117.31 1puq s TRP 90 Ca 0.08 1.79 -0.23 0.00 2.66 0.00 0.00 56.10 60.40 1puq s TRP 90 Cb -0.02 0.48 -0.08 0.00 -3.10 0.00 0.00 33.47 30.74 1puq s TRP 90 CO -0.02 -0.51 1.08 -2.00 -2.66 0.00 0.00 176.95 172.83 1puq s GLU 91 N 2.29 3.95 6.43 3.25 -6.30 -1.21 -4.77 118.70 122.34 1puq s GLU 91 Ca -0.06 1.54 0.00 0.00 -2.50 0.00 0.00 54.97 53.96 1puq s GLU 91 Cb -0.10 -2.38 0.00 0.00 0.00 0.00 0.00 34.13 31.64 1puq s GLU 91 CO -0.16 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1puq n GLY 92 N 0.22 3.85 3.11 -1.50 0.00 -1.26 -4.62 105.19 105.00 1puq n GLY 92 Ca 0.07 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1puq n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1puq s GLU 93 N 0.00 0.79 0.01 1.61 2.12 -1.26 -5.13 118.70 116.84 1puq s GLU 93 Ca 0.00 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 1puq s GLU 93 Cb 0.00 -0.75 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 1puq s GLU 93 CO 0.00 0.18 1.12 -2.14 -0.54 0.00 0.00 175.26 173.88 1puq s PRO 94 N -1.16 4.45 0.18 4.30 0.02 -1.26 -4.69 135.00 136.84 1puq s PRO 94 Ca -0.01 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1puq s PRO 94 Cb -0.08 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1puq s PRO 94 CO 0.01 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1puq n TRP 95 N 4.24 -1.21 0.00 6.54 4.27 -0.23 -4.86 117.44 126.19 1puq n TRP 95 Ca 0.08 0.21 0.00 0.00 -3.89 0.00 0.00 57.50 53.91 1puq n TRP 95 Cb 0.48 0.31 0.00 0.00 -1.36 0.00 0.00 31.31 30.73 1puq n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1puq n GLY 96 N 2.46 0.52 0.00 -1.67 0.00 0.14 -3.77 105.19 102.87 1puq n GLY 96 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1puq n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1puq n LYS 97 N 0.00 0.00 0.22 1.61 4.81 0.32 -4.66 118.16 120.46 1puq n LYS 97 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1puq n LYS 97 Cb 0.00 0.00 0.51 0.00 0.02 0.00 0.00 35.03 35.56 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1puq h GLU 98 N 0.00 0.00 0.00 1.64 -0.00 -1.73 -3.45 114.58 111.04 1puq h GLU 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1puq h GLU 98 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1puq h GLU 98 CO 0.00 0.24 0.00 0.41 -0.00 0.00 0.00 179.01 179.66 1puq n GLY 99 N -0.18 1.49 3.36 1.06 0.00 -1.26 -4.94 105.19 104.72 1puq n GLY 99 Ca -0.01 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1puq n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1puq s GLN 100 N 0.00 3.20 0.41 1.61 -2.07 -1.26 -5.08 119.66 116.47 1puq s GLN 100 Ca 0.00 -0.78 -0.22 0.00 -1.82 0.00 0.00 55.36 52.54 1puq s GLN 100 Cb 0.00 -3.34 -0.14 0.00 -1.09 0.00 0.00 33.01 28.44 1puq s GLN 100 CO 0.00 -0.39 0.35 -2.30 -1.32 0.00 0.00 175.29 171.63 1puq n PRO 101 N 4.87 0.31 -4.67 9.60 -0.02 -1.26 -4.12 135.00 139.71 1puq n PRO 101 Ca -0.15 0.12 -0.30 0.00 -2.02 0.00 0.00 63.50 61.14 1puq n PRO 101 Cb 0.49 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.60 1puq n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1puq s GLY 102 N -0.98 2.84 0.19 -1.23 0.00 -1.26 -3.83 107.32 103.05 1puq s GLY 102 Ca 0.62 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 44.60 1puq s GLY 102 CO 0.60 -2.08 -0.17 -1.83 0.00 0.00 0.00 173.10 169.62 1puq s GLU 103 N -3.82 1.33 -0.39 2.90 -1.05 -1.23 -4.88 118.70 111.56 1puq s GLU 103 Ca 0.14 -1.51 -0.27 0.00 -0.15 0.00 0.00 54.97 53.18 1puq s GLU 103 Cb 0.03 -1.27 -0.04 0.00 -0.44 0.00 0.00 34.13 32.41 1puq s GLU 103 CO 0.08 0.24 2.06 -1.58 0.95 0.00 0.00 175.26 177.00 1puq s TRP 104 N -2.46 1.45 0.16 4.83 0.51 -1.26 -3.66 118.94 118.50 1puq s TRP 104 Ca 0.19 0.84 0.11 0.00 -2.12 0.00 0.00 56.10 55.12 1puq s TRP 104 Cb -0.04 -3.95 -0.04 0.00 -0.81 0.00 0.00 33.47 28.63 1puq s TRP 104 CO 0.07 -3.04 -0.25 0.00 -0.51 0.00 0.00 176.95 173.22 1puq s MET 105 N 6.66 1.42 -0.19 4.98 0.23 -1.16 -4.92 119.30 126.33 1puq s MET 105 Ca 0.87 -1.42 -0.29 0.00 -1.03 0.00 0.00 55.69 53.82 1puq s MET 105 Cb -0.22 -1.80 -0.02 0.00 -1.53 0.00 0.00 34.83 31.26 1puq s MET 105 CO 0.30 0.41 1.33 -1.54 -2.03 0.00 0.00 175.02 173.49 1puq s SER 106 N -2.36 6.82 0.45 -1.18 1.04 -1.26 0.10 113.70 117.31 1puq s SER 106 Ca 0.17 1.63 0.29 0.00 0.48 0.00 0.00 55.95 58.52 1puq s SER 106 Cb -0.09 -2.54 1.04 0.00 0.10 0.00 0.00 66.02 64.53 1puq s SER 106 CO 0.08 -0.88 1.84 0.25 0.98 0.00 0.00 173.24 175.50 1puq h LEU 107 N 10.17 0.00 -0.45 2.42 7.12 -1.82 -3.04 115.31 129.71 1puq h LEU 107 Ca -0.28 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.73 1puq h LEU 107 Cb 1.11 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1puq h LEU 107 CO 0.98 0.00 0.01 0.52 -0.13 0.00 0.00 178.44 179.83 1puq n VAL 108 N -2.87 1.66 -2.85 1.05 0.31 -1.26 -2.34 118.33 112.03 1puq n VAL 108 Ca 0.02 0.58 -0.16 0.00 -0.01 0.00 0.00 64.34 64.77 1puq n VAL 108 Cb 0.35 -1.58 -0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1puq n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 109 N -1.43 3.10 3.74 2.92 0.00 -1.15 -5.03 105.19 107.34 1puq n GLY 109 Ca -0.00 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 1puq n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1puq s LEU 110 N -2.95 3.58 -0.40 0.99 2.96 -0.99 -4.99 118.68 116.89 1puq s LEU 110 Ca 0.36 2.55 -0.06 0.00 -0.22 0.00 0.00 54.13 56.75 1puq s LEU 110 Cb 0.40 -4.61 0.09 0.00 0.50 0.00 0.00 46.19 42.56 1puq s LEU 110 CO -0.04 -1.91 0.21 0.20 -1.32 0.00 0.00 176.35 173.48 1puq s ASN 111 N -1.48 5.41 0.47 3.68 0.02 -1.26 -4.92 114.94 116.85 1puq s ASN 111 Ca 0.81 -1.67 0.30 0.00 -1.02 0.00 0.00 52.86 51.28 1puq s ASN 111 Cb -0.35 -1.90 1.09 0.00 0.02 0.00 0.00 41.25 40.11 1puq s ASN 111 CO 0.38 -0.51 1.86 0.00 0.02 0.00 0.00 177.10 178.85 1puq h ALA 112 N 8.23 1.00 0.06 0.60 0.00 -1.94 -2.72 119.26 124.49 1puq h ALA 112 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1puq h ALA 112 Cb 1.07 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1puq h ALA 112 CO 0.71 0.00 -0.41 0.22 0.00 0.00 0.00 179.25 179.78 1puq h ASP 113 N 0.00 0.26 -0.56 0.00 3.58 -1.92 -3.35 116.42 114.42 1puq h ASP 113 Ca 0.00 -0.93 -0.10 0.00 0.42 0.00 0.00 57.03 56.42 1puq h ASP 113 Cb 0.59 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1puq h ASP 113 CO 0.00 1.16 -0.04 0.44 -2.88 0.00 0.00 179.24 177.92 1puq h ASP 114 N -0.61 1.00 -4.21 2.28 5.19 -1.90 -3.45 116.42 114.73 1puq h ASP 114 Ca -0.07 -0.33 -0.45 0.00 -0.62 0.00 0.00 57.03 55.56 1puq h ASP 114 Cb 1.28 -0.27 0.14 0.00 0.18 0.00 0.00 39.33 40.66 1puq h ASP 114 CO 0.08 1.09 0.38 0.72 -3.12 0.00 0.00 179.24 178.38 1puq s PHE 115 N -4.95 2.08 0.09 4.55 -0.71 -1.03 -3.32 117.98 114.68 1puq s PHE 115 Ca -0.12 0.55 -0.35 0.00 -1.04 0.00 0.00 56.93 55.98 1puq s PHE 115 Cb 0.13 -3.76 -0.14 0.00 -1.21 0.00 0.00 43.02 38.04 1puq s PHE 115 CO 0.85 -2.43 1.61 -0.35 -1.34 0.00 0.00 175.22 173.56 1puq n PRO 116 N -3.71 1.99 0.00 1.99 -0.04 -1.26 -4.89 135.00 129.08 1puq n PRO 116 Ca 0.11 0.72 -0.06 0.00 -0.04 0.00 0.00 63.50 64.23 1puq n PRO 116 Cb 0.60 -2.48 0.12 0.00 -0.04 0.00 0.00 33.50 31.70 1puq n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1puq h PRO 117 N 6.43 0.53 0.00 0.54 0.13 -1.86 -2.69 132.00 135.08 1puq h PRO 117 Ca -0.46 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1puq h PRO 117 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1puq h PRO 117 CO 0.89 0.84 0.00 0.00 -0.23 0.00 0.00 178.00 179.50 1puq n ALA 118 N -2.50 1.68 -0.95 -0.56 0.00 -1.26 -1.95 120.51 114.96 1puq n ALA 118 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1puq n ALA 118 Cb 0.50 -1.24 0.30 0.00 0.00 0.00 0.00 19.45 19.02 1puq n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1puq n ASN 119 N -1.49 4.43 0.12 0.00 3.02 -1.01 -4.64 115.26 115.69 1puq n ASN 119 Ca 0.04 -2.97 0.01 0.00 -0.03 0.00 0.00 54.58 51.62 1puq n ASN 119 Cb 0.17 -0.58 0.32 0.00 -0.61 0.00 0.00 39.78 39.08 1puq n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1puq h GLU 120 N 2.48 0.19 -1.21 3.52 4.81 -1.45 -3.25 114.58 119.66 1puq h GLU 120 Ca 0.00 -0.06 0.38 0.00 -0.13 0.00 0.00 59.36 59.55 1puq h GLU 120 Cb 1.59 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.83 1puq h GLU 120 CO 0.30 0.46 0.77 -1.35 -0.73 0.00 0.00 179.01 178.46 1puq h PRO 121 N 0.17 0.17 0.01 0.92 0.11 -1.85 1.38 132.00 132.92 1puq h PRO 121 Ca 0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1puq h PRO 121 Cb 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1puq h PRO 121 CO 0.04 0.11 -0.01 0.28 -0.21 0.00 0.00 178.00 178.22 1puq h VAL 122 N 0.17 1.52 -0.05 3.15 2.07 -1.96 -3.34 116.25 117.82 1puq h VAL 122 Ca 0.76 -1.96 -0.20 0.00 0.82 0.00 0.00 66.70 66.12 1puq h VAL 122 Cb 2.23 2.79 0.01 0.00 -1.52 0.00 0.00 31.29 34.80 1puq h VAL 122 CO -0.42 0.48 -0.75 0.40 0.02 0.00 0.00 177.57 177.31 1puq h ILE 123 N -0.91 1.34 -0.51 4.57 1.08 -1.32 -3.19 117.51 118.58 1puq h ILE 123 Ca -0.00 -2.05 0.15 0.00 -0.39 0.00 0.00 64.86 62.57 1puq h ILE 123 Cb 0.80 2.32 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 1puq h ILE 123 CO 0.00 0.62 0.42 0.00 -0.69 0.00 0.00 178.15 178.51 1puq h ALA 124 N 0.42 2.37 0.00 1.87 0.00 0.16 1.70 119.26 125.78 1puq h ALA 124 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1puq h ALA 124 Cb 1.41 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1puq h ALA 124 CO 0.15 -0.68 -0.08 0.87 0.00 0.00 0.00 179.25 179.51 1puq h LYS 125 N 0.00 0.00 0.02 0.00 6.56 -1.67 -3.33 116.57 118.15 1puq h LYS 125 Ca 0.24 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.62 1puq h LYS 125 Cb 1.08 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.72 1puq h LYS 125 CO -0.00 0.62 -0.99 -0.07 -2.06 0.00 0.00 179.45 176.95 1puq h LEU 126 N -1.00 0.10 -0.86 2.94 -0.00 -1.45 -3.29 115.31 111.75 1puq h LEU 126 Ca -0.02 -0.10 0.12 0.00 -0.00 0.00 0.00 57.88 57.88 1puq h LEU 126 Cb 0.65 -0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 41.20 1puq h LEU 126 CO -0.01 1.02 0.48 0.50 -0.00 0.00 0.00 178.44 180.44 1puq h LYS 127 N 0.02 0.74 0.00 1.13 3.64 0.24 0.95 116.57 123.30 1puq h LYS 127 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1puq h LYS 127 Cb 1.71 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1puq h LYS 127 CO 0.14 0.49 0.00 -2.13 -2.27 0.00 0.00 179.45 175.68 1puq n ARG 128 N -4.77 0.18 -0.12 1.90 0.63 -1.24 -4.88 116.66 108.36 1puq n ARG 128 Ca 0.16 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1puq n ARG 128 Cb 0.34 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1puq n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59