#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 3.11 -0.02 3.17 2.47 -0.08 -5.00 119.74 123.39 1puq s LYS 2 Ca 0.00 -0.51 -0.00 0.00 -1.56 0.00 0.00 55.97 53.90 1puq s LYS 2 Cb 0.00 -2.88 0.03 0.00 -1.46 0.00 0.00 37.83 33.52 1puq s LYS 2 CO 0.00 0.63 0.03 -1.59 0.16 0.00 0.00 175.35 174.58 1puq s LYS 3 N -2.00 -0.01 -0.09 4.03 0.00 -1.26 0.10 119.74 120.50 1puq s LYS 3 Ca 0.26 0.20 -0.07 0.00 0.00 0.00 0.00 55.97 56.36 1puq s LYS 3 Cb -0.12 -0.29 0.03 0.00 0.00 0.00 0.00 37.83 37.44 1puq s LYS 3 CO 0.18 -0.18 0.23 -0.48 0.00 0.00 0.00 175.35 175.09 1puq s LEU 4 N 1.18 0.93 0.14 2.77 0.05 0.25 -4.92 118.68 119.09 1puq s LEU 4 Ca -0.08 0.46 0.05 0.00 0.05 0.00 0.00 54.13 54.62 1puq s LEU 4 Cb -0.13 0.74 -0.04 0.00 -2.05 0.00 0.00 46.19 44.71 1puq s LEU 4 CO -0.03 -0.10 0.10 -1.10 -0.55 0.00 0.00 176.35 174.66 1puq s GLN 5 N 0.47 2.80 -0.13 1.48 -0.21 -1.26 -1.17 119.66 121.63 1puq s GLN 5 Ca -0.03 -0.87 -0.04 0.00 0.02 0.00 0.00 55.36 54.44 1puq s GLN 5 Cb -0.04 -2.61 0.07 0.00 1.00 0.00 0.00 33.01 31.42 1puq s GLN 5 CO -0.02 0.50 0.25 0.42 -2.12 0.00 0.00 175.29 174.31 1puq s ILE 6 N -1.65 -0.39 -0.11 1.08 1.09 0.48 -3.87 121.20 117.83 1puq s ILE 6 Ca 0.30 0.25 0.02 0.00 -1.10 0.00 0.00 60.65 60.11 1puq s ILE 6 Cb -0.10 -0.45 0.01 0.00 -1.06 0.00 0.00 42.46 40.86 1puq s ILE 6 CO 0.22 0.09 -0.16 0.00 -0.10 0.00 0.00 174.94 174.99 1puq s ALA 7 N 2.40 1.72 0.09 9.38 0.00 -1.26 0.43 121.76 134.52 1puq s ALA 7 Ca 0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1puq s ALA 7 Cb -0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1puq s ALA 7 CO -0.09 -0.05 0.01 0.14 0.00 0.00 0.00 175.76 175.78 1puq s VAL 8 N 0.93 0.16 -0.06 0.00 -7.23 0.29 -2.41 120.40 112.09 1puq s VAL 8 Ca -0.08 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1puq s VAL 8 Cb -0.15 -1.77 0.04 0.00 0.56 0.00 0.00 36.38 35.06 1puq s VAL 8 CO -0.01 -0.74 0.12 -0.83 -0.31 0.00 0.00 175.10 173.34 1puq s GLY 9 N -2.98 0.04 -0.43 2.32 0.00 -0.87 0.14 107.32 105.53 1puq s GLY 9 Ca 0.15 0.53 -0.28 0.00 0.00 0.00 0.00 44.72 45.13 1puq s GLY 9 CO -0.04 1.22 1.69 -0.26 0.00 0.00 0.00 173.10 175.70 1puq s ILE 10 N 1.63 3.58 -0.00 0.90 -4.36 -0.68 -4.43 121.20 117.83 1puq s ILE 10 Ca -0.04 0.54 -0.30 0.00 -0.26 0.00 0.00 60.65 60.59 1puq s ILE 10 Cb -0.12 -3.92 -0.05 0.00 1.25 0.00 0.00 42.46 39.62 1puq s ILE 10 CO -0.05 -0.68 1.38 -0.63 0.24 0.00 0.00 174.94 175.20 1puq s ILE 11 N 6.95 3.77 -0.18 8.37 1.01 -1.26 -2.73 121.20 137.13 1puq s ILE 11 Ca 0.70 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 62.29 1puq s ILE 11 Cb -0.17 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1puq s ILE 11 CO 0.30 0.00 0.63 -0.13 0.00 0.00 0.00 174.94 175.74 1puq s ARG 12 N 2.33 4.24 0.23 2.79 1.81 -1.24 -1.38 118.95 127.73 1puq s ARG 12 Ca 0.63 0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 55.23 1puq s ARG 12 Cb -0.31 -3.56 0.05 0.00 -0.45 0.00 0.00 34.95 30.69 1puq s ARG 12 CO 0.26 -0.19 0.30 -1.71 -0.68 0.00 0.00 175.30 173.28 1puq n ASN 13 N 4.85 -0.06 -0.10 0.23 5.15 0.53 -3.16 115.26 122.69 1puq n ASN 13 Ca -0.02 -1.08 0.15 0.00 -0.60 0.00 0.00 54.58 53.04 1puq n ASN 13 Cb 0.50 -0.23 0.79 0.00 -0.53 0.00 0.00 39.78 40.31 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1puq n GLU 14 N -1.68 0.99 -1.86 1.20 2.13 -1.26 -3.78 120.64 116.37 1puq n GLU 14 Ca 0.04 -0.21 -0.06 0.00 0.66 0.00 0.00 57.16 57.59 1puq n GLU 14 Cb 0.13 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.41 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 -0.82 2.63 0.00 4.31 4.05 -1.26 -4.94 115.26 119.22 1puq n ASN 15 Ca 0.20 -2.99 0.00 0.00 0.45 0.00 0.00 54.58 52.24 1puq n ASN 15 Cb 0.20 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 40.80 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 -0.55 -3.94 -4.88 1.20 4.13 -1.25 -4.96 115.26 105.02 1puq n ASN 16 Ca 0.22 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.15 1puq n ASN 16 Cb 0.90 -2.66 -0.05 0.00 -1.54 0.00 0.00 39.78 36.43 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1puq s GLU 17 N -1.38 3.36 -0.08 3.52 -1.05 -1.26 -4.60 118.70 117.20 1puq s GLU 17 Ca 0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1puq s GLU 17 Cb 0.00 -3.04 -0.03 0.00 -0.44 0.00 0.00 34.13 30.62 1puq s GLU 17 CO 0.00 0.67 -0.07 0.42 0.95 0.00 0.00 175.26 177.23 1puq s ILE 18 N -1.30 3.67 -0.20 1.83 1.01 0.34 0.20 121.20 126.75 1puq s ILE 18 Ca 0.27 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 1puq s ILE 18 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1puq s ILE 18 CO 0.18 0.59 0.76 0.12 0.00 0.00 0.00 174.94 176.59 1puq s PHE 19 N -0.66 3.37 0.24 3.97 2.19 -0.48 -1.61 117.98 125.00 1puq s PHE 19 Ca 0.10 1.11 0.07 0.00 0.33 0.00 0.00 56.93 58.54 1puq s PHE 19 Cb -0.11 -2.95 -0.05 0.00 -1.31 0.00 0.00 43.02 38.59 1puq s PHE 19 CO 0.02 -0.26 -0.10 0.42 1.83 0.00 0.00 175.22 177.12 1puq s ILE 20 N 2.27 1.67 0.65 3.12 1.01 -1.19 -4.14 121.20 124.58 1puq s ILE 20 Ca 0.34 -2.17 -0.15 0.00 0.00 0.00 0.00 60.65 58.67 1puq s ILE 20 Cb -0.16 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1puq s ILE 20 CO 0.10 -0.46 1.10 0.42 0.00 0.00 0.00 174.94 176.10 1puq s THR 21 N -3.01 3.34 -0.26 2.92 -4.23 0.37 -2.99 115.64 111.78 1puq s THR 21 Ca 0.26 0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 61.38 1puq s THR 21 Cb 0.01 -3.15 0.13 0.00 1.34 0.00 0.00 72.50 70.83 1puq s THR 21 CO 0.09 -0.38 0.31 -0.60 -0.54 0.00 0.00 174.62 173.49 1puq s ARG 22 N -4.08 0.30 2.40 3.99 3.52 -1.13 -3.29 118.95 120.66 1puq s ARG 22 Ca 0.66 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1puq s ARG 22 Cb -0.20 -0.72 0.00 0.00 -1.56 0.00 0.00 34.95 32.47 1puq s ARG 22 CO 0.40 -0.85 0.00 -2.13 -0.81 0.00 0.00 175.30 171.91 1puq n ARG 23 N 5.33 0.00 0.00 5.12 0.63 -1.25 -4.67 116.66 121.82 1puq n ARG 23 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1puq n ARG 23 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 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 8.00 0.00 0.00 5.13 0.00 -1.26 -4.64 120.51 127.74 1puq n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -3.70 0.00 0.00 -1.26 -4.58 120.51 110.97 1puq n ALA 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1puq n ALA 25 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.79 -0.40 -1.24 0.00 5.68 -1.26 -5.13 116.55 113.43 1puq n ASP 26 Ca 0.00 -2.21 0.12 0.00 -0.50 0.00 0.00 54.79 52.20 1puq n ASP 26 Cb 0.00 0.93 -0.07 0.00 -1.14 0.00 0.00 41.12 40.84 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1puq n ALA 27 N -1.73 -2.94 -2.56 2.12 0.00 -1.26 -4.52 120.51 109.62 1puq n ALA 27 Ca -0.06 0.73 -0.41 0.00 0.00 0.00 0.00 53.44 53.69 1puq n ALA 27 Cb 0.33 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1puq n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1puq s HIS 28 N -4.31 2.57 -0.28 0.00 2.46 -1.26 -4.66 115.29 109.82 1puq s HIS 28 Ca 0.00 -0.98 0.21 0.00 0.47 0.00 0.00 55.06 54.76 1puq s HIS 28 Cb 0.00 -4.70 0.49 0.00 -0.13 0.00 0.00 32.58 28.24 1puq s HIS 28 CO 0.00 -1.91 1.15 -1.33 -2.47 0.00 0.00 174.74 170.19 1puq n MET 29 N 8.78 1.62 0.00 2.88 2.00 -1.26 -4.88 117.12 126.26 1puq n MET 29 Ca 0.36 -3.18 0.08 0.00 0.00 0.00 0.00 57.70 54.97 1puq n MET 29 Cb 0.50 -1.30 0.38 0.00 0.00 0.00 0.00 33.22 32.80 1puq n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1puq n ALA 30 N -0.67 1.82 -0.61 3.04 0.00 -1.26 -2.84 120.51 119.99 1puq n ALA 30 Ca 0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1puq n ALA 30 Cb 0.81 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 19.16 1puq n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1puq n ASN 31 N -1.45 3.77 -0.89 0.00 4.13 -1.23 -4.20 115.26 115.40 1puq n ASN 31 Ca 0.05 -3.10 0.02 0.00 1.68 0.00 0.00 54.58 53.24 1puq n ASN 31 Cb 0.18 -0.73 0.21 0.00 -1.54 0.00 0.00 39.78 37.90 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1puq n LYS 32 N -0.48 2.01 -1.39 3.52 3.00 -0.43 -2.61 118.16 121.79 1puq n LYS 32 Ca 0.40 -3.03 -0.40 0.00 -0.00 0.00 0.00 58.31 55.27 1puq n LYS 32 Cb 1.29 -1.76 -0.06 0.00 0.00 0.00 0.00 35.03 34.51 1puq n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1puq n LEU 33 N -1.01 3.93 0.00 3.14 0.00 0.14 -4.05 117.00 119.15 1puq n LEU 33 Ca 0.26 -3.00 0.00 0.00 0.00 0.00 0.00 56.01 53.28 1puq n LEU 33 Cb 0.91 -1.27 0.00 0.00 0.00 0.00 0.00 43.42 43.06 1puq n LEU 33 CO 0.13 -0.65 0.00 1.21 0.00 0.00 0.00 177.39 178.08 1puq n GLU 34 N 7.30 1.80 -4.55 1.96 2.13 -1.21 -4.20 120.64 123.86 1puq n GLU 34 Ca 0.49 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.04 1puq n GLU 34 Cb 0.42 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.02 1puq n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1puq s PHE 35 N 0.63 2.50 0.75 4.31 0.40 -1.26 0.14 117.98 125.45 1puq s PHE 35 Ca 0.00 -0.61 -0.11 0.00 -0.60 0.00 0.00 56.93 55.61 1puq s PHE 35 Cb 0.00 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.90 1puq s PHE 35 CO 0.00 0.47 1.13 -1.25 0.70 0.00 0.00 175.22 176.26 1puq s PRO 36 N -3.70 2.41 0.00 0.24 0.04 -1.26 -4.48 135.00 128.25 1puq s PRO 36 Ca 0.35 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1puq s PRO 36 Cb 0.07 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1puq s PRO 36 CO 0.18 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1puq n GLY 37 N -3.14 0.34 3.61 0.56 0.00 -1.26 -2.06 105.19 103.24 1puq n GLY 37 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.53 1.64 0.00 -0.02 0.00 -1.01 -3.59 107.32 102.81 1puq s GLY 38 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1puq s GLY 38 CO 0.00 0.87 0.00 1.17 0.00 0.00 0.00 173.10 175.14 1puq n LYS 39 N -4.50 0.00 -0.13 2.90 4.81 -1.26 -4.89 118.16 115.09 1puq n LYS 39 Ca 0.09 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 57.80 1puq n LYS 39 Cb 0.53 -1.92 0.72 0.00 0.02 0.00 0.00 35.03 34.38 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 0.48 -0.82 3.15 3.07 -1.80 -1.55 117.51 120.03 1puq h ILE 40 Ca 0.00 0.00 0.13 0.00 1.55 0.00 0.00 64.86 66.54 1puq h ILE 40 Cb 0.00 0.54 -0.14 0.00 -0.27 0.00 0.00 36.82 36.95 1puq h ILE 40 CO 0.00 0.00 -0.39 1.05 -1.05 0.00 0.00 178.15 177.76 1puq h GLU 41 N 0.00 -0.07 0.00 0.16 -0.00 -1.90 -3.29 114.58 109.47 1puq h GLU 41 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.75 1puq h GLU 41 Cb 1.66 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.42 1puq h GLU 41 CO -0.00 -0.05 0.00 -0.12 -0.00 0.00 0.00 179.01 178.84 1puq n MET 42 N -5.44 0.00 0.00 1.06 1.56 -0.59 -3.99 117.12 109.72 1puq n MET 42 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1puq n MET 42 Cb 0.37 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.74 1puq n MET 42 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1puq n GLY 43 N 0.00 0.00 0.98 -5.12 0.00 -1.24 -5.17 105.19 94.65 1puq n GLY 43 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.23 -3.69 1.61 4.71 -1.25 -5.09 120.64 117.17 1puq n GLU 44 Ca 0.00 -0.65 -0.29 0.00 -0.01 0.00 0.00 57.16 56.22 1puq n GLU 44 Cb 0.00 -0.22 -0.04 0.00 -1.01 0.00 0.00 31.44 30.18 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 -0.91 5.20 0.61 2.62 2.01 -1.26 -4.75 115.64 119.16 1puq s THR 45 Ca 0.17 -0.24 0.27 0.00 0.31 0.00 0.00 61.69 62.20 1puq s THR 45 Cb -0.01 -3.70 0.37 0.00 0.01 0.00 0.00 72.50 69.18 1puq s THR 45 CO 0.12 -0.10 1.47 1.55 -0.69 0.00 0.00 174.62 176.97 1puq h PRO 46 N 2.28 0.00 0.00 4.92 0.13 -1.99 1.34 132.00 138.68 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 -3.33 0.57 0.06 0.86 1.02 -1.26 -4.48 120.64 114.08 1puq n GLU 47 Ca 0.18 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 1puq n GLU 47 Cb 1.25 -1.41 0.49 0.00 -0.02 0.00 0.00 31.44 31.74 1puq n GLU 47 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1puq n GLN 48 N -3.07 0.16 0.13 3.49 6.02 0.04 -3.22 117.38 120.92 1puq n GLN 48 Ca -0.36 0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 56.62 1puq n GLN 48 Cb 0.90 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 30.41 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 2.71 -0.32 0.03 -1.58 0.00 0.14 0.31 119.26 120.55 1puq h ALA 49 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1puq h ALA 49 Cb 0.64 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1puq h ALA 49 CO 0.00 -0.70 -0.22 -0.39 0.00 0.00 0.00 179.25 177.94 1puq h VAL 50 N -0.35 1.66 -0.90 0.00 -1.51 -1.80 -2.65 116.25 110.70 1puq h VAL 50 Ca -0.01 -2.22 0.07 0.00 -1.23 0.00 0.00 66.70 63.32 1puq h VAL 50 Cb 0.32 3.13 -0.06 0.00 -2.13 0.00 0.00 31.29 32.55 1puq h VAL 50 CO -0.02 0.59 0.58 0.58 -1.23 0.00 0.00 177.57 178.08 1puq h VAL 51 N -0.72 1.04 0.05 7.19 2.07 -1.58 0.47 116.25 124.77 1puq h VAL 51 Ca -0.03 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1puq h VAL 51 Cb 1.10 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1puq h VAL 51 CO 0.04 0.18 -0.03 -0.09 0.02 0.00 0.00 177.57 177.70 1puq h ARG 52 N 0.99 -0.07 0.00 1.57 2.43 -0.49 -3.19 114.38 115.63 1puq h ARG 52 Ca 0.39 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1puq h ARG 52 Cb 0.24 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1puq h ARG 52 CO -0.15 0.54 -0.00 0.93 -1.51 0.00 0.00 179.97 179.78 1puq h GLU 53 N -0.81 0.00 -0.52 0.20 4.39 -1.25 -2.53 114.58 114.05 1puq h GLU 53 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1puq h GLU 53 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1puq h GLU 53 CO 0.01 0.00 0.33 1.25 -1.16 0.00 0.00 179.01 179.44 1puq h LEU 54 N 0.00 0.61 -1.14 1.33 5.85 -0.04 0.23 115.31 122.15 1puq h LEU 54 Ca -0.00 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1puq h LEU 54 Cb 0.15 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1puq h LEU 54 CO 0.00 0.47 -0.43 -0.61 -0.34 0.00 0.00 178.44 177.53 1puq h GLN 55 N 0.70 0.01 0.00 1.25 4.15 -1.54 -0.24 115.11 119.44 1puq h GLN 55 Ca 0.19 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 1puq h GLN 55 Cb -0.05 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1puq h GLN 55 CO -0.04 0.43 -0.49 1.49 -1.93 0.00 0.00 178.83 178.30 1puq h GLU 56 N 0.01 0.00 -0.28 1.69 4.22 -1.32 -0.61 114.58 118.28 1puq h GLU 56 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1puq h GLU 56 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1puq h GLU 56 CO 0.06 0.49 0.00 -1.91 -2.18 0.00 0.00 179.01 175.46 1puq n GLU 57 N -3.33 2.18 0.00 1.92 4.07 0.72 0.10 120.64 126.30 1puq n GLU 57 Ca 0.01 -1.87 0.00 0.00 -0.06 0.00 0.00 57.16 55.24 1puq n GLU 57 Cb 0.67 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.75 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1puq n VAL 58 N 0.73 0.00 -0.68 6.31 0.31 -0.13 -3.83 118.33 121.03 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 2.06 0.00 0.00 2.92 0.00 -0.24 -0.80 105.19 109.13 1puq n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.61 0.00 -3.76 -0.61 -5.35 -1.26 -4.86 119.36 101.92 1puq n ILE 60 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 1puq n ILE 60 Cb 0.26 -0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 37.78 1puq n ILE 60 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1puq s THR 61 N 0.11 3.57 -0.08 7.28 -1.32 -1.26 -4.94 115.64 118.99 1puq s THR 61 Ca 0.00 -3.20 0.01 0.00 -1.21 0.00 0.00 61.69 57.29 1puq s THR 61 Cb 0.00 -3.33 -0.03 0.00 -1.51 0.00 0.00 72.50 67.64 1puq s THR 61 CO 0.00 -0.90 -0.10 -2.16 -2.21 0.00 0.00 174.62 169.26 1puq s PRO 62 N -0.33 2.88 -1.23 7.08 0.04 -1.26 -1.69 135.00 140.49 1puq s PRO 62 Ca 0.19 -0.61 -0.20 0.00 0.04 0.00 0.00 61.00 60.42 1puq s PRO 62 Cb -0.19 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1puq s PRO 62 CO -0.04 0.54 1.86 1.04 0.04 0.00 0.00 177.00 180.43 1puq n GLN 63 N 2.59 2.37 -4.43 4.56 6.02 0.11 -4.80 117.38 123.80 1puq n GLN 63 Ca -0.18 -2.81 -0.33 0.00 -0.01 0.00 0.00 57.00 53.67 1puq n GLN 63 Cb 0.53 -3.57 -0.15 0.00 1.02 0.00 0.00 30.24 28.06 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 7.40 2.78 0.00 1.08 2.46 -1.26 0.11 115.29 127.86 1puq s HIS 64 Ca 0.61 -1.17 0.00 0.00 0.47 0.00 0.00 55.06 54.96 1puq s HIS 64 Cb 0.03 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 1puq s HIS 64 CO 0.10 -0.55 0.00 0.34 -2.47 0.00 0.00 174.74 172.16 1puq n PHE 65 N 4.21 0.00 0.00 3.88 7.35 -0.81 -4.93 117.46 127.16 1puq n PHE 65 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 1puq n PHE 65 Cb 0.51 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.34 1puq n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1puq n SER 66 N 0.00 0.00 -4.42 -2.13 2.88 -1.25 -4.15 113.62 104.55 1puq n SER 66 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1puq n SER 66 Cb 0.00 0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 63.72 1puq n SER 66 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1puq s LEU 67 N -2.48 3.30 0.08 2.46 0.05 -1.26 0.12 118.68 120.94 1puq s LEU 67 Ca 0.00 -0.24 -0.12 0.00 0.05 0.00 0.00 54.13 53.82 1puq s LEU 67 Cb 0.00 -1.87 -0.23 0.00 -2.05 0.00 0.00 46.19 42.04 1puq s LEU 67 CO 0.00 -0.01 1.18 0.15 -0.55 0.00 0.00 176.35 177.12 1puq h PHE 68 N 8.04 0.94 -1.41 3.48 3.04 -1.47 -3.43 116.94 126.14 1puq h PHE 68 Ca -0.39 -0.55 0.11 0.00 3.98 0.00 0.00 57.97 61.13 1puq h PHE 68 Cb 1.17 -0.09 -0.29 0.00 2.56 0.00 0.00 35.95 39.30 1puq h PHE 68 CO 0.64 1.39 0.59 -2.00 -2.02 0.00 0.00 178.31 176.90 1puq s GLU 69 N -3.15 0.33 -0.25 1.11 2.12 0.10 -4.99 118.70 113.96 1puq s GLU 69 Ca -0.09 0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.63 1puq s GLU 69 Cb 0.07 0.15 0.10 0.00 0.26 0.00 0.00 34.13 34.71 1puq s GLU 69 CO 0.92 -0.04 0.19 -1.59 -0.54 0.00 0.00 175.26 174.19 1puq s LYS 70 N 0.35 0.21 0.12 4.30 0.00 -1.26 0.14 119.74 123.60 1puq s LYS 70 Ca 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 55.97 55.86 1puq s LYS 70 Cb -0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 37.83 36.61 1puq s LYS 70 CO -0.10 -0.88 0.10 -0.48 0.00 0.00 0.00 175.35 173.99 1puq s LEU 71 N 2.24 3.78 -0.10 2.77 0.05 -0.02 -4.93 118.68 122.46 1puq s LEU 71 Ca 0.08 -0.08 -0.02 0.00 0.05 0.00 0.00 54.13 54.15 1puq s LEU 71 Cb -0.15 -2.43 0.04 0.00 -2.05 0.00 0.00 46.19 41.60 1puq s LEU 71 CO -0.26 0.12 0.01 -0.70 -0.55 0.00 0.00 176.35 174.98 1puq s GLU 72 N -2.75 0.61 0.05 1.48 2.12 -1.26 -1.66 118.70 117.29 1puq s GLU 72 Ca 0.30 -0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1puq s GLU 72 Cb -0.11 -1.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.98 1puq s GLU 72 CO 0.22 -0.39 -0.07 1.52 -0.54 0.00 0.00 175.26 176.00 1puq s TYR 73 N 1.95 0.68 -0.02 5.30 1.13 -1.12 -5.03 117.35 120.24 1puq s TYR 73 Ca 0.04 -0.59 0.08 0.00 -1.41 0.00 0.00 57.07 55.18 1puq s TYR 73 Cb -0.13 -0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 40.30 1puq s TYR 73 CO -0.06 -0.11 -0.25 -1.83 -2.51 0.00 0.00 175.55 170.79 1puq s GLU 74 N -2.04 2.01 0.30 -3.49 -1.05 -1.26 -2.35 118.70 110.82 1puq s GLU 74 Ca -0.06 -0.88 0.07 0.00 -0.15 0.00 0.00 54.97 53.95 1puq s GLU 74 Cb -0.07 -1.94 -0.03 0.00 -0.44 0.00 0.00 34.13 31.66 1puq s GLU 74 CO -0.01 0.53 0.27 -0.06 0.95 0.00 0.00 175.26 176.94 1puq s PHE 75 N -0.57 3.00 -0.85 4.83 0.08 0.34 -4.93 117.98 119.88 1puq s PHE 75 Ca 0.09 -0.22 -0.21 0.00 0.12 0.00 0.00 56.93 56.71 1puq s PHE 75 Cb -0.10 -1.66 -0.19 0.00 -0.57 0.00 0.00 43.02 40.51 1puq s PHE 75 CO -0.01 0.30 1.96 -0.35 -0.10 0.00 0.00 175.22 177.02 1puq n PRO 76 N -1.32 0.13 -0.15 0.24 -0.04 -1.26 -0.13 135.00 132.48 1puq n PRO 76 Ca -0.04 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1puq n PRO 76 Cb 0.59 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 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 16.58 -0.26 -3.56 3.54 -0.08 -1.26 -5.02 116.55 126.48 1puq n ASP 77 Ca 0.35 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.34 1puq n ASP 77 Cb 0.46 -0.04 -0.14 0.00 2.34 0.00 0.00 41.12 43.74 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1puq s ARG 78 N -0.85 0.55 -0.59 -0.67 3.52 0.82 -0.90 118.95 120.83 1puq s ARG 78 Ca 0.00 -1.12 -0.20 0.00 -0.13 0.00 0.00 55.73 54.28 1puq s ARG 78 Cb 0.00 -1.50 0.08 0.00 -1.56 0.00 0.00 34.95 31.97 1puq s ARG 78 CO 0.00 -1.11 0.78 -1.58 -0.81 0.00 0.00 175.30 172.59 1puq s HIS 79 N 1.40 2.89 -0.05 5.12 5.65 0.11 0.13 115.29 130.54 1puq s HIS 79 Ca 0.14 -0.67 -0.03 0.00 0.25 0.00 0.00 55.06 54.75 1puq s HIS 79 Cb -0.20 -4.00 -0.04 0.00 -1.18 0.00 0.00 32.58 27.16 1puq s HIS 79 CO -0.16 -1.35 0.09 -1.50 -0.65 0.00 0.00 174.74 171.17 1puq s ILE 80 N 3.19 4.88 -0.17 0.89 2.07 -0.99 0.87 121.20 131.94 1puq s ILE 80 Ca 0.17 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1puq s ILE 80 Cb -0.20 -3.17 0.03 0.00 0.13 0.00 0.00 42.46 39.25 1puq s ILE 80 CO 0.10 0.48 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.57 1puq s THR 81 N -1.09 1.75 -0.26 4.00 2.01 -0.32 -2.78 115.64 118.95 1puq s THR 81 Ca 0.19 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 1puq s THR 81 Cb -0.12 -1.68 0.03 0.00 0.01 0.00 0.00 72.50 70.74 1puq s THR 81 CO 0.09 0.39 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.15 1puq s LEU 82 N 1.39 3.40 -0.19 4.42 2.96 -0.66 0.18 118.68 130.18 1puq s LEU 82 Ca 0.03 -0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 52.97 1puq s LEU 82 Cb -0.14 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 1puq s LEU 82 CO -0.10 -0.16 -0.09 0.26 -1.32 0.00 0.00 176.35 174.93 1puq s TRP 83 N 1.32 2.89 -0.26 5.38 0.52 0.17 -0.84 118.94 128.13 1puq s TRP 83 Ca -0.01 -1.04 -0.05 0.00 0.02 0.00 0.00 56.10 55.02 1puq s TRP 83 Cb -0.17 -2.02 0.00 0.00 -1.15 0.00 0.00 33.47 30.13 1puq s TRP 83 CO -0.03 -0.55 0.02 -0.06 0.02 0.00 0.00 176.95 176.35 1puq s PHE 84 N 1.23 3.06 0.05 -1.98 0.40 0.38 0.11 117.98 121.23 1puq s PHE 84 Ca 0.03 -0.97 0.02 0.00 -0.60 0.00 0.00 56.93 55.41 1puq s PHE 84 Cb -0.14 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1puq s PHE 84 CO -0.04 -0.56 0.07 -1.58 0.70 0.00 0.00 175.22 173.82 1puq s TRP 85 N 1.48 3.20 0.10 0.36 0.52 0.36 -0.73 118.94 124.24 1puq s TRP 85 Ca 0.04 0.11 -0.23 0.00 0.02 0.00 0.00 56.10 56.04 1puq s TRP 85 Cb -0.16 -1.65 -0.07 0.00 -1.15 0.00 0.00 33.47 30.44 1puq s TRP 85 CO -0.00 0.52 0.70 -1.17 0.02 0.00 0.00 176.95 177.02 1puq s LEU 86 N -2.17 4.53 0.05 2.99 2.96 0.31 -1.69 118.68 125.66 1puq s LEU 86 Ca 0.27 1.45 0.08 0.00 -0.22 0.00 0.00 54.13 55.71 1puq s LEU 86 Cb -0.12 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 1puq s LEU 86 CO 0.19 0.18 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.50 1puq s VAL 87 N -0.83 1.73 -0.04 1.68 1.01 -1.11 -1.92 120.40 120.93 1puq s VAL 87 Ca 0.34 -1.27 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1puq s VAL 87 Cb -0.21 -1.51 -0.12 0.00 0.00 0.00 0.00 36.38 34.53 1puq s VAL 87 CO 0.23 0.19 0.12 -0.62 0.00 0.00 0.00 175.10 175.02 1puq n GLU 88 N 1.74 1.27 -3.57 2.72 1.02 0.29 -3.68 120.64 120.43 1puq n GLU 88 Ca -0.17 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 1puq n GLU 88 Cb 0.53 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1puq s ARG 89 N -2.44 1.24 -0.26 3.49 6.06 0.42 -4.61 118.95 122.85 1puq s ARG 89 Ca -0.04 -0.55 -0.11 0.00 -2.50 0.00 0.00 55.73 52.54 1puq s ARG 89 Cb 0.04 0.51 0.10 0.00 0.06 0.00 0.00 34.95 35.67 1puq s ARG 89 CO 0.36 -0.55 0.60 1.67 -2.50 0.00 0.00 175.30 174.87 1puq s TRP 90 N -3.56 -1.12 0.48 5.12 -2.14 -1.22 0.04 118.94 116.55 1puq s TRP 90 Ca 0.05 2.05 -0.21 0.00 2.66 0.00 0.00 56.10 60.66 1puq s TRP 90 Cb -0.02 0.63 -0.08 0.00 -3.10 0.00 0.00 33.47 30.89 1puq s TRP 90 CO -0.06 -0.57 1.05 -2.00 -2.66 0.00 0.00 176.95 172.70 1puq s GLU 91 N 2.42 3.82 5.02 3.25 2.12 -0.68 -4.76 118.70 129.88 1puq s GLU 91 Ca -0.06 1.41 0.00 0.00 0.36 0.00 0.00 54.97 56.67 1puq s GLU 91 Cb -0.10 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.14 1puq s GLU 91 CO -0.18 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1puq n GLY 92 N -0.12 2.98 3.01 -1.50 0.00 -1.26 -4.51 105.19 103.79 1puq n GLY 92 Ca 0.09 0.30 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 1puq n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1puq s GLU 93 N 0.00 0.52 0.01 1.61 2.02 -1.26 -5.12 118.70 116.48 1puq s GLU 93 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 1puq s GLU 93 Cb 0.00 -0.44 -0.04 0.00 0.10 0.00 0.00 34.13 33.75 1puq s GLU 93 CO 0.00 0.11 1.13 -2.14 0.02 0.00 0.00 175.26 174.37 1puq s PRO 94 N -0.64 4.45 0.22 0.39 0.02 -1.26 -4.73 135.00 133.45 1puq s PRO 94 Ca -0.02 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1puq s PRO 94 Cb -0.05 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1puq s PRO 94 CO 0.00 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.76 1puq n TRP 95 N 4.24 -1.59 0.00 6.54 4.27 0.02 -4.87 117.44 126.06 1puq n TRP 95 Ca 0.08 0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.98 1puq n TRP 95 Cb 0.48 0.37 0.00 0.00 -1.36 0.00 0.00 31.31 30.79 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 2.27 0.51 0.00 -1.67 0.00 -0.84 -3.46 105.19 102.01 1puq n GLY 96 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.17 1.61 4.81 0.29 -4.70 118.16 120.00 1puq n LYS 97 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1puq n LYS 97 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 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 0.51 0.00 1.64 4.11 -1.76 -3.47 114.58 115.61 1puq h GLU 98 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1puq h GLU 98 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1puq h GLU 98 CO 0.00 0.34 0.00 0.41 0.07 0.00 0.00 179.01 179.83 1puq n GLY 99 N -1.25 3.99 2.91 1.06 0.00 -1.26 -5.02 105.19 105.63 1puq n GLY 99 Ca 0.04 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 1.46 0.42 1.61 0.00 -1.26 -4.98 119.66 116.91 1puq s GLN 100 Ca 0.00 -1.04 -0.22 0.00 -0.00 0.00 0.00 55.36 54.11 1puq s GLN 100 Cb 0.00 -2.55 -0.14 0.00 0.00 0.00 0.00 33.01 30.32 1puq s GLN 100 CO 0.00 -0.67 0.35 -2.30 0.00 0.00 0.00 175.29 172.67 1puq n PRO 101 N 4.68 0.32 -4.54 9.60 -0.02 -1.26 -3.89 135.00 139.89 1puq n PRO 101 Ca -0.10 0.12 -0.26 0.00 -2.02 0.00 0.00 63.50 61.24 1puq n PRO 101 Cb 0.44 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 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 2.61 0.13 -1.23 0.00 -1.26 -2.83 107.32 103.76 1puq s GLY 102 Ca 0.62 -1.22 0.05 0.00 0.00 0.00 0.00 44.72 44.17 1puq s GLY 102 CO 0.60 -1.87 -0.12 -1.83 0.00 0.00 0.00 173.10 169.88 1puq s GLU 103 N -3.75 1.03 -0.50 2.90 -1.05 -1.16 -4.92 118.70 111.25 1puq s GLU 103 Ca 0.23 -1.34 -0.28 0.00 -0.15 0.00 0.00 54.97 53.43 1puq s GLU 103 Cb 0.03 -0.73 0.01 0.00 -0.44 0.00 0.00 34.13 32.99 1puq s GLU 103 CO 0.13 0.12 1.50 -1.58 0.95 0.00 0.00 175.26 176.38 1puq s TRP 104 N -2.75 2.20 0.32 4.83 0.51 -1.26 -3.19 118.94 119.60 1puq s TRP 104 Ca 0.12 0.57 0.10 0.00 -2.12 0.00 0.00 56.10 54.77 1puq s TRP 104 Cb -0.01 -4.32 -0.06 0.00 -0.81 0.00 0.00 33.47 28.27 1puq s TRP 104 CO 0.02 -2.11 -0.13 0.00 -0.51 0.00 0.00 176.95 174.22 1puq s MET 105 N 5.53 1.75 -0.35 4.98 0.23 -0.63 -4.89 119.30 125.93 1puq s MET 105 Ca 0.59 -1.87 -0.29 0.00 -1.03 0.00 0.00 55.69 53.09 1puq s MET 105 Cb -0.13 -1.69 0.02 0.00 -1.53 0.00 0.00 34.83 31.50 1puq s MET 105 CO 0.27 0.20 1.13 -1.54 -2.03 0.00 0.00 175.02 173.05 1puq s SER 106 N -3.56 6.83 0.55 -1.18 1.04 -1.26 0.13 113.70 116.24 1puq s SER 106 Ca 0.31 0.97 0.37 0.00 0.48 0.00 0.00 55.95 58.08 1puq s SER 106 Cb 0.00 -2.54 1.86 0.00 0.10 0.00 0.00 66.02 65.44 1puq s SER 106 CO 0.16 -0.99 2.11 0.25 0.98 0.00 0.00 173.24 175.75 1puq h LEU 107 N 10.44 0.00 0.00 2.42 7.12 -1.82 -2.16 115.31 131.32 1puq h LEU 107 Ca -0.22 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.79 1puq h LEU 107 Cb 1.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1puq h LEU 107 CO 1.05 0.00 0.00 0.52 -0.13 0.00 0.00 178.44 179.88 1puq n VAL 108 N -2.88 1.45 -2.62 1.05 0.31 -1.26 -2.58 118.33 111.80 1puq n VAL 108 Ca -0.01 0.36 -0.16 0.00 -0.01 0.00 0.00 64.34 64.52 1puq n VAL 108 Cb 0.13 -1.29 0.02 0.00 -0.91 0.00 0.00 33.84 31.79 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 -0.99 3.15 3.74 2.92 0.00 -0.81 -5.07 105.19 108.13 1puq n GLY 109 Ca 0.01 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.25 3.60 -0.20 0.99 2.96 -1.07 -5.00 118.68 116.71 1puq s LEU 110 Ca 0.35 2.53 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 1puq s LEU 110 Cb 0.43 -4.61 0.04 0.00 0.50 0.00 0.00 46.19 42.55 1puq s LEU 110 CO -0.04 -1.87 -0.13 0.21 -1.32 0.00 0.00 176.35 173.20 1puq s ASN 111 N -1.49 3.43 0.42 3.68 3.84 -1.26 -4.97 114.94 118.59 1puq s ASN 111 Ca 0.80 -0.87 0.29 0.00 0.21 0.00 0.00 52.86 53.29 1puq s ASN 111 Cb -0.35 -1.35 1.05 0.00 -0.55 0.00 0.00 41.25 40.06 1puq s ASN 111 CO 0.37 -0.11 1.83 0.00 -2.79 0.00 0.00 177.10 176.41 1puq h ALA 112 N 7.94 1.00 0.02 1.71 0.00 -1.95 -2.89 119.26 125.08 1puq h ALA 112 Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1puq h ALA 112 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1puq h ALA 112 CO 0.52 0.00 -0.13 0.22 0.00 0.00 0.00 179.25 179.86 1puq h ASP 113 N 0.00 0.08 0.65 0.00 1.82 -1.93 -3.30 116.42 113.75 1puq h ASP 113 Ca 0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 57.03 55.70 1puq h ASP 113 Cb 0.57 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1puq h ASP 113 CO 0.00 1.01 0.00 0.44 -1.61 0.00 0.00 179.24 179.08 1puq h ASP 114 N -0.83 0.00 -1.44 2.28 3.32 -1.80 -3.43 116.42 114.51 1puq h ASP 114 Ca -0.02 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.53 1puq h ASP 114 Cb 1.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1puq h ASP 114 CO 0.02 0.00 -0.36 0.72 -1.72 0.00 0.00 179.24 177.90 1puq s PHE 115 N -3.72 2.61 0.09 4.55 -0.71 -1.10 0.29 117.98 120.00 1puq s PHE 115 Ca -0.00 -0.52 -0.34 0.00 -1.04 0.00 0.00 56.93 55.03 1puq s PHE 115 Cb 0.10 -2.16 -0.14 0.00 -1.21 0.00 0.00 43.02 39.61 1puq s PHE 115 CO 0.46 -0.17 1.63 -0.35 -1.34 0.00 0.00 175.22 175.45 1puq n PRO 116 N -1.58 2.05 -0.04 1.99 -0.04 -1.07 -4.77 135.00 131.53 1puq n PRO 116 Ca 0.04 0.74 -0.08 0.00 -0.04 0.00 0.00 63.50 64.16 1puq n PRO 116 Cb 0.62 -2.52 0.08 0.00 -0.04 0.00 0.00 33.50 31.65 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 6.54 0.67 0.00 0.54 0.13 -1.87 -2.73 132.00 135.27 1puq h PRO 117 Ca -0.46 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1puq h PRO 117 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1puq h PRO 117 CO 0.89 0.93 0.00 0.00 -0.23 0.00 0.00 178.00 179.59 1puq n ALA 118 N -2.51 1.72 -0.90 -0.56 0.00 -1.26 -1.98 120.51 115.02 1puq n ALA 118 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1puq n ALA 118 Cb 0.50 -1.25 0.32 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.48 4.67 0.12 0.00 3.02 -1.03 -4.61 115.26 115.95 1puq n ASN 119 Ca 0.04 -2.90 0.01 0.00 -0.03 0.00 0.00 54.58 51.70 1puq n ASN 119 Cb 0.17 -0.59 0.32 0.00 -0.61 0.00 0.00 39.78 39.07 1puq n ASN 119 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1puq h GLU 120 N 2.88 0.20 -1.31 3.52 5.08 -1.46 -3.23 114.58 120.26 1puq h GLU 120 Ca 0.00 -0.07 0.40 0.00 -1.00 0.00 0.00 59.36 58.69 1puq h GLU 120 Cb 1.63 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.76 1puq h GLU 120 CO 0.32 0.47 0.87 -1.35 -1.00 0.00 0.00 179.01 178.32 1puq h PRO 121 N 0.18 0.13 0.01 2.33 0.11 -1.85 1.39 132.00 134.31 1puq h PRO 121 Ca 0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1puq h PRO 121 Cb 0.59 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1puq h PRO 121 CO 0.04 0.09 -0.01 0.28 -0.21 0.00 0.00 178.00 178.19 1puq h VAL 122 N 0.14 1.50 -0.10 3.15 2.07 -1.95 -3.33 116.25 117.71 1puq h VAL 122 Ca 0.75 -1.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 1puq h VAL 122 Cb 2.41 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 34.92 1puq h VAL 122 CO -0.30 0.48 -0.33 0.40 0.02 0.00 0.00 177.57 177.84 1puq h ILE 123 N -0.92 1.27 -0.38 4.57 1.08 -1.15 -2.60 117.51 119.39 1puq h ILE 123 Ca -0.00 -1.29 0.11 0.00 -0.39 0.00 0.00 64.86 63.29 1puq h ILE 123 Cb 0.80 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 1puq h ILE 123 CO 0.00 0.39 0.36 0.00 -0.69 0.00 0.00 178.15 178.21 1puq h ALA 124 N 1.49 2.13 0.00 1.87 0.00 0.17 1.71 119.26 126.62 1puq h ALA 124 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1puq h ALA 124 Cb 0.67 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1puq h ALA 124 CO 0.05 -0.55 -0.01 0.87 0.00 0.00 0.00 179.25 179.60 1puq h LYS 125 N 0.00 0.00 0.03 0.00 6.56 -1.58 -3.32 116.57 118.26 1puq h LYS 125 Ca 0.18 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.56 1puq h LYS 125 Cb 0.89 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 1puq h LYS 125 CO -0.00 0.69 -0.98 1.25 -2.06 0.00 0.00 179.45 178.35 1puq h LEU 126 N -1.00 0.16 -0.83 2.94 7.12 -1.44 -3.29 115.31 118.97 1puq h LEU 126 Ca -0.00 -0.15 0.12 0.00 0.13 0.00 0.00 57.88 57.97 1puq h LEU 126 Cb 0.70 -0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.69 1puq h LEU 126 CO -0.00 1.04 0.45 0.50 -0.13 0.00 0.00 178.44 180.30 1puq h LYS 127 N 0.05 0.69 0.00 1.25 3.64 0.24 0.94 116.57 123.37 1puq h LYS 127 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1puq h LYS 127 Cb 1.68 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1puq h LYS 127 CO 0.14 0.46 0.00 -2.13 -2.27 0.00 0.00 179.45 175.65 1puq n ARG 128 N -4.80 0.03 -0.16 1.90 0.63 -1.24 -4.99 116.66 108.02 1puq n ARG 128 Ca 0.15 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 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 1.28 -2.51 0.00 0.00 177.63 176.40