#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 3.57 -0.01 2.12 3.01 -0.78 -5.05 119.74 122.59 1puq s LYS 2 Ca 0.00 -0.56 -0.00 0.00 -1.01 0.00 0.00 55.97 54.40 1puq s LYS 2 Cb 0.00 -2.95 0.02 0.00 -1.01 0.00 0.00 37.83 33.89 1puq s LYS 2 CO 0.00 0.08 0.02 -1.59 0.51 0.00 0.00 175.35 174.38 1puq s LYS 3 N 0.77 -0.02 -0.11 1.68 -2.85 -1.26 0.99 119.74 118.94 1puq s LYS 3 Ca -0.01 0.12 -0.05 0.00 -1.00 0.00 0.00 55.97 55.03 1puq s LYS 3 Cb -0.14 -0.15 0.05 0.00 -2.06 0.00 0.00 37.83 35.53 1puq s LYS 3 CO 0.02 -0.10 0.24 -0.48 0.10 0.00 0.00 175.35 175.12 1puq s LEU 4 N 0.66 0.07 0.03 2.77 0.05 0.22 -4.93 118.68 117.55 1puq s LEU 4 Ca -0.05 0.52 0.00 0.00 0.05 0.00 0.00 54.13 54.64 1puq s LEU 4 Cb -0.08 0.64 -0.04 0.00 -2.05 0.00 0.00 46.19 44.67 1puq s LEU 4 CO -0.02 -0.20 0.13 -1.10 -0.55 0.00 0.00 176.35 174.61 1puq s GLN 5 N 1.86 3.19 -0.11 1.48 -0.21 -1.26 -1.00 119.66 123.60 1puq s GLN 5 Ca -0.03 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 54.80 1puq s GLN 5 Cb -0.11 -2.92 0.05 0.00 1.00 0.00 0.00 33.01 31.03 1puq s GLN 5 CO -0.08 0.62 0.25 0.42 -2.12 0.00 0.00 175.29 174.38 1puq s ILE 6 N -1.35 -0.22 -0.11 1.08 -1.09 0.17 -3.48 121.20 116.19 1puq s ILE 6 Ca 0.28 0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 1puq s ILE 6 Cb -0.12 -0.40 0.01 0.00 -1.58 0.00 0.00 42.46 40.37 1puq s ILE 6 CO 0.21 0.09 -0.16 0.00 -1.23 0.00 0.00 174.94 173.85 1puq s ALA 7 N 1.85 1.74 0.16 9.38 0.00 -1.25 0.56 121.76 134.20 1puq s ALA 7 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1puq s ALA 7 Cb -0.11 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1puq s ALA 7 CO -0.08 -0.08 -0.05 0.14 0.00 0.00 0.00 175.76 175.69 1puq s VAL 8 N 0.99 0.89 -0.06 0.00 -7.23 0.35 -2.69 120.40 112.64 1puq s VAL 8 Ca -0.06 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1puq s VAL 8 Cb -0.15 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 34.86 1puq s VAL 8 CO -0.02 -0.63 0.12 -0.83 -0.31 0.00 0.00 175.10 173.43 1puq s GLY 9 N -3.16 0.04 -0.46 2.32 0.00 -0.96 0.17 107.32 105.26 1puq s GLY 9 Ca 0.20 0.53 -0.28 0.00 0.00 0.00 0.00 44.72 45.17 1puq s GLY 9 CO 0.02 1.18 1.45 -0.42 0.00 0.00 0.00 173.10 175.33 1puq s ILE 10 N 1.58 3.82 -0.03 0.90 1.01 -0.98 -4.49 121.20 123.00 1puq s ILE 10 Ca -0.04 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 1puq s ILE 10 Cb -0.12 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1puq s ILE 10 CO -0.05 -0.88 1.41 -0.63 0.00 0.00 0.00 174.94 174.79 1puq s ILE 11 N 5.87 3.80 -0.19 2.92 1.01 -1.26 -2.95 121.20 130.39 1puq s ILE 11 Ca 0.60 1.13 -0.21 0.00 0.00 0.00 0.00 60.65 62.17 1puq s ILE 11 Cb -0.13 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1puq s ILE 11 CO 0.30 -0.03 0.62 -0.13 0.00 0.00 0.00 174.94 175.69 1puq s ARG 12 N 2.77 4.22 0.21 2.79 1.81 -1.25 -2.16 118.95 127.34 1puq s ARG 12 Ca 0.63 0.60 -0.03 0.00 -1.72 0.00 0.00 55.73 55.21 1puq s ARG 12 Cb -0.30 -3.57 0.05 0.00 -0.45 0.00 0.00 34.95 30.68 1puq s ARG 12 CO 0.25 -0.20 0.28 -1.71 -0.68 0.00 0.00 175.30 173.24 1puq n ASN 13 N 4.92 0.06 -0.04 0.23 5.15 0.54 -3.14 115.26 122.97 1puq n ASN 13 Ca -0.02 -1.12 0.11 0.00 -0.60 0.00 0.00 54.58 52.95 1puq n ASN 13 Cb 0.50 -0.21 0.65 0.00 -0.53 0.00 0.00 39.78 40.19 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 -1.59 1.06 -2.78 1.20 2.13 -1.26 -3.95 120.64 115.44 1puq n GLU 14 Ca 0.04 -0.09 -0.11 0.00 0.66 0.00 0.00 57.16 57.66 1puq n GLU 14 Cb 0.13 -1.36 0.02 0.00 0.27 0.00 0.00 31.44 30.50 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 -0.76 1.27 -1.74 4.31 2.85 -1.26 -4.94 115.26 114.98 1puq n ASN 15 Ca 0.17 -2.78 -0.06 0.00 -0.11 0.00 0.00 54.58 51.80 1puq n ASN 15 Cb 0.10 -0.53 -0.02 0.00 1.24 0.00 0.00 39.78 40.57 1puq n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1puq n ASN 16 N 0.02 -2.01 -4.48 1.20 0.23 -1.25 -4.89 115.26 104.07 1puq n ASN 16 Ca 0.13 0.24 -0.32 0.00 -0.53 0.00 0.00 54.58 54.10 1puq n ASN 16 Cb 0.78 -1.97 -0.13 0.00 -2.08 0.00 0.00 39.78 36.39 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1puq s GLU 17 N -3.61 2.33 -0.07 -3.83 -1.05 -1.26 -4.58 118.70 106.63 1puq s GLU 17 Ca 0.00 -0.82 0.03 0.00 -0.15 0.00 0.00 54.97 54.04 1puq s GLU 17 Cb 0.00 -2.31 -0.02 0.00 -0.44 0.00 0.00 34.13 31.36 1puq s GLU 17 CO 0.00 0.59 -0.17 0.42 0.95 0.00 0.00 175.26 177.05 1puq s ILE 18 N -0.84 2.81 -0.44 1.83 1.01 0.50 0.20 121.20 126.28 1puq s ILE 18 Ca 0.13 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 1puq s ILE 18 Cb -0.11 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1puq s ILE 18 CO 0.03 0.57 0.97 0.12 0.00 0.00 0.00 174.94 176.63 1puq s PHE 19 N -0.37 2.94 0.10 3.97 5.36 -0.92 -1.84 117.98 127.23 1puq s PHE 19 Ca 0.03 0.55 0.08 0.00 -0.96 0.00 0.00 56.93 56.63 1puq s PHE 19 Cb -0.12 -3.98 -0.04 0.00 -0.34 0.00 0.00 43.02 38.54 1puq s PHE 19 CO 0.02 -1.06 -0.17 0.96 -1.46 0.00 0.00 175.22 173.50 1puq s ILE 20 N 3.82 2.88 0.15 3.12 -5.25 -1.25 -4.39 121.20 120.27 1puq s ILE 20 Ca 0.39 -1.43 -0.30 0.00 -0.99 0.00 0.00 60.65 58.32 1puq s ILE 20 Cb -0.10 -2.30 -0.08 0.00 2.95 0.00 0.00 42.46 42.93 1puq s ILE 20 CO 0.25 0.14 1.29 0.42 -1.79 0.00 0.00 174.94 175.26 1puq s THR 21 N -1.11 3.45 -0.17 8.37 -4.23 0.68 -3.92 115.64 118.71 1puq s THR 21 Ca 0.18 1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 61.77 1puq s THR 21 Cb -0.11 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.08 1puq s THR 21 CO 0.09 0.13 0.07 -0.60 -0.54 0.00 0.00 174.62 173.77 1puq s ARG 22 N 0.44 0.30 5.55 3.99 3.52 -1.22 -1.40 118.95 130.13 1puq s ARG 22 Ca 0.59 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1puq s ARG 22 Cb -0.35 -1.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 1puq s ARG 22 CO 0.34 -0.64 0.00 -2.13 -0.81 0.00 0.00 175.30 172.06 1puq n ARG 23 N 5.19 0.00 -1.30 5.12 0.63 -1.25 -4.11 116.66 120.94 1puq n ARG 23 Ca -0.08 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1puq n ARG 23 Cb 0.48 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.40 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 10.67 -1.23 -2.20 5.13 0.00 -1.26 -4.68 120.51 126.94 1puq n ALA 24 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1puq n ALA 24 Cb 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.13 -0.58 -3.63 0.00 0.00 -1.26 -4.89 120.51 110.02 1puq n ALA 25 Ca -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1puq n ALA 25 Cb 0.47 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 1puq n ALA 25 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1puq s ASP 26 N -2.15 -0.04 -0.81 0.00 1.47 -1.26 -5.07 116.67 108.79 1puq s ASP 26 Ca 0.00 0.00 -0.23 0.00 1.18 0.00 0.00 52.55 53.50 1puq s ASP 26 Cb 0.00 0.05 -0.17 0.00 -0.34 0.00 0.00 42.92 42.46 1puq s ASP 26 CO 0.00 -0.08 2.38 0.00 0.68 0.00 0.00 175.17 178.15 1puq n ALA 27 N -0.03 0.49 -3.01 2.11 0.00 -1.26 -4.71 120.51 114.11 1puq n ALA 27 Ca 0.04 -1.27 0.02 0.00 0.00 0.00 0.00 53.44 52.23 1puq n ALA 27 Cb 0.57 -3.12 -0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 12.19 -1.07 -0.67 0.00 5.04 -1.26 -5.02 115.29 124.50 1puq s HIS 28 Ca 1.00 0.21 -0.01 0.00 -1.54 0.00 0.00 55.06 54.72 1puq s HIS 28 Cb -0.27 0.20 0.00 0.00 0.04 0.00 0.00 32.58 32.55 1puq s HIS 28 CO 0.18 -0.72 0.65 -1.33 -2.34 0.00 0.00 174.74 171.18 1puq n MET 29 N 4.18 -1.34 0.11 2.88 2.81 -1.26 -4.32 117.12 120.18 1puq n MET 29 Ca 0.08 1.50 0.12 0.00 -1.81 0.00 0.00 57.70 57.59 1puq n MET 29 Cb 0.60 -5.51 0.45 0.00 -0.71 0.00 0.00 33.22 28.05 1puq n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1puq n ALA 30 N -1.59 1.96 -0.86 3.04 0.00 -1.26 -3.04 120.51 118.76 1puq n ALA 30 Ca 0.01 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1puq n ALA 30 Cb 0.49 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.66 1puq n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1puq n ASN 31 N -2.22 4.00 -1.05 0.00 2.85 -1.26 -4.26 115.26 113.32 1puq n ASN 31 Ca 0.04 -3.34 0.00 0.00 -0.11 0.00 0.00 54.58 51.17 1puq n ASN 31 Cb 0.32 -0.80 0.22 0.00 1.24 0.00 0.00 39.78 40.76 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1puq n LYS 32 N -0.81 2.19 -1.71 1.20 3.00 -1.17 -4.18 118.16 116.68 1puq n LYS 32 Ca 0.49 -3.04 -0.18 0.00 -0.00 0.00 0.00 58.31 55.59 1puq n LYS 32 Cb 1.38 -1.82 -0.09 0.00 0.00 0.00 0.00 35.03 34.50 1puq n LYS 32 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1puq s LEU 33 N -3.09 2.70 0.00 3.14 2.96 -1.26 -4.44 118.68 118.68 1puq s LEU 33 Ca 0.44 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1puq s LEU 33 Cb 0.38 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1puq s LEU 33 CO 0.03 -4.05 0.00 1.21 -1.32 0.00 0.00 176.35 172.22 1puq n GLU 34 N 8.46 1.95 -4.51 1.98 2.13 -0.49 -4.09 120.64 126.07 1puq n GLU 34 Ca 0.43 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.99 1puq n GLU 34 Cb 0.46 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.06 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 -0.62 2.51 0.77 4.31 0.40 -1.26 -0.23 117.98 123.86 1puq s PHE 35 Ca 0.00 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 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 0.45 1.14 -1.25 0.70 0.00 0.00 175.22 176.26 1puq s PRO 36 N -3.71 2.30 0.00 0.24 0.04 -1.26 -4.48 135.00 128.13 1puq s PRO 36 Ca 0.35 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1puq s PRO 36 Cb 0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1puq s PRO 36 CO 0.18 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1puq n GLY 37 N -3.05 0.37 3.73 0.56 0.00 -1.26 -2.28 105.19 103.27 1puq n GLY 37 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.50 2.52 0.00 -0.02 0.00 -1.10 -3.47 107.32 103.76 1puq s GLY 38 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1puq s GLY 38 CO 0.00 1.36 0.00 1.17 0.00 0.00 0.00 173.10 175.63 1puq n LYS 39 N -2.29 0.00 0.01 2.90 4.81 -1.26 -4.91 118.16 117.42 1puq n LYS 39 Ca 0.14 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.80 1puq n LYS 39 Cb 0.50 -1.10 0.73 0.00 0.02 0.00 0.00 35.03 35.17 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 0.46 -0.53 3.15 3.07 -1.76 -2.64 117.51 119.26 1puq h ILE 40 Ca 0.00 0.00 0.05 0.00 1.55 0.00 0.00 64.86 66.46 1puq h ILE 40 Cb 0.00 0.62 -0.06 0.00 -0.27 0.00 0.00 36.82 37.11 1puq h ILE 40 CO 0.00 0.00 -0.31 -1.84 -1.05 0.00 0.00 178.15 174.95 1puq n GLU 41 N -3.92 -0.23 0.00 0.16 -0.00 -1.23 -4.01 120.64 111.41 1puq n GLU 41 Ca 0.11 1.16 0.00 0.00 -0.00 0.00 0.00 57.16 58.43 1puq n GLU 41 Cb 0.72 -1.72 0.00 0.00 -0.00 0.00 0.00 31.44 30.44 1puq n GLU 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1puq n MET 42 N -4.22 0.00 0.00 3.44 2.81 -1.00 -3.54 117.12 114.62 1puq n MET 42 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1puq n MET 42 Cb 0.14 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 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 0.27 3.03 0.00 -1.26 -5.16 105.19 102.08 1puq n GLY 43 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.56 -3.77 1.61 4.71 -1.23 -5.09 120.64 117.42 1puq n GLU 44 Ca 0.00 -0.19 -0.28 0.00 -0.01 0.00 0.00 57.16 56.68 1puq n GLU 44 Cb 0.00 -0.05 -0.04 0.00 -1.01 0.00 0.00 31.44 30.35 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 -0.02 5.25 0.61 2.62 2.01 -1.26 -4.77 115.64 120.08 1puq s THR 45 Ca 0.05 -0.36 0.26 0.00 0.31 0.00 0.00 61.69 61.95 1puq s THR 45 Cb -0.00 -3.70 0.37 0.00 0.01 0.00 0.00 72.50 69.18 1puq s THR 45 CO 0.03 -0.07 1.46 1.55 -0.69 0.00 0.00 174.62 176.90 1puq h PRO 46 N 2.34 0.00 0.00 4.92 0.13 -1.99 1.32 132.00 138.72 1puq h PRO 46 Ca -0.47 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 1puq h PRO 46 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1puq h PRO 46 CO 0.70 0.00 -2.32 0.39 -0.23 0.00 0.00 178.00 176.54 1puq n GLU 47 N -3.31 0.55 0.00 0.86 1.02 -1.26 -4.46 120.64 114.04 1puq n GLU 47 Ca 0.17 0.17 0.15 0.00 -0.02 0.00 0.00 57.16 57.63 1puq n GLU 47 Cb 1.24 -1.42 0.77 0.00 -0.02 0.00 0.00 31.44 32.01 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 -3.52 0.53 0.36 3.49 6.02 -0.21 -3.39 117.38 120.66 1puq n GLN 48 Ca -0.43 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.36 1puq n GLN 48 Cb 0.90 -1.50 -0.09 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 3.53 -0.90 0.07 -1.58 0.00 0.14 -0.73 119.26 119.78 1puq h ALA 49 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1puq h ALA 49 Cb 0.25 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1puq h ALA 49 CO 0.00 -0.96 -0.51 -0.39 0.00 0.00 0.00 179.25 177.39 1puq h VAL 50 N -1.00 1.57 -0.97 0.00 -1.51 -1.81 -2.65 116.25 109.89 1puq h VAL 50 Ca -0.09 -2.34 0.09 0.00 -1.23 0.00 0.00 66.70 63.13 1puq h VAL 50 Cb 0.72 3.10 -0.08 0.00 -2.13 0.00 0.00 31.29 32.90 1puq h VAL 50 CO 0.15 0.65 0.61 0.58 -1.23 0.00 0.00 177.57 178.33 1puq h VAL 51 N -0.50 0.98 0.02 7.19 2.07 -1.65 1.57 116.25 125.93 1puq h VAL 51 Ca -0.08 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1puq h VAL 51 Cb 1.35 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1puq h VAL 51 CO 0.10 0.19 -0.01 -0.09 0.02 0.00 0.00 177.57 177.78 1puq h ARG 52 N 1.02 -0.02 0.00 1.57 9.65 -1.25 -3.29 114.38 122.06 1puq h ARG 52 Ca 0.45 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.33 1puq h ARG 52 Cb 0.35 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1puq h ARG 52 CO -0.23 0.73 -0.04 0.93 2.80 0.00 0.00 179.97 184.17 1puq h GLU 53 N -0.93 0.00 -0.74 0.20 4.39 -1.33 -2.94 114.58 113.23 1puq h GLU 53 Ca -0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1puq h GLU 53 Cb 0.76 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.32 1puq h GLU 53 CO 0.00 0.04 0.27 1.25 -1.16 0.00 0.00 179.01 179.41 1puq h LEU 54 N 0.00 0.22 -1.71 1.33 5.85 0.22 1.08 115.31 122.30 1puq h LEU 54 Ca -0.00 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1puq h LEU 54 Cb 0.46 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1puq h LEU 54 CO 0.00 0.07 0.26 1.56 -0.34 0.00 0.00 178.44 180.00 1puq h GLN 55 N 0.40 0.37 0.00 1.25 4.20 -1.67 1.53 115.11 121.19 1puq h GLN 55 Ca 0.41 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.91 1puq h GLN 55 Cb 0.63 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1puq h GLN 55 CO -0.42 0.24 -0.85 1.49 -0.67 0.00 0.00 178.83 178.62 1puq h GLU 56 N 0.38 0.00 -0.32 1.46 4.22 0.78 0.31 114.58 121.41 1puq h GLU 56 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.60 1puq h GLU 56 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1puq h GLU 56 CO -0.04 0.85 0.00 0.39 -2.18 0.00 0.00 179.01 178.04 1puq n GLU 57 N -3.50 2.22 0.00 1.92 4.71 0.17 0.11 120.64 126.27 1puq n GLU 57 Ca -0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 57.16 55.11 1puq n GLU 57 Cb 0.82 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.85 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1puq n VAL 58 N 1.09 0.00 0.00 2.62 0.31 0.50 -4.06 118.33 118.80 1puq n VAL 58 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1puq n VAL 58 Cb 0.50 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 1.99 0.42 1.60 2.92 0.00 0.11 0.64 105.19 112.87 1puq n GLY 59 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.86 -0.61 -5.35 -1.26 -4.87 119.36 103.41 1puq n ILE 60 Ca 0.00 -0.37 -0.32 0.00 -0.27 0.00 0.00 62.75 61.79 1puq n ILE 60 Cb 0.00 -1.65 -0.12 0.00 -1.74 0.00 0.00 39.64 36.13 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 -2.15 3.04 0.04 7.28 -4.23 -1.26 -4.96 115.64 113.39 1puq s THR 61 Ca 0.31 -3.44 0.05 0.00 -1.18 0.00 0.00 61.69 57.43 1puq s THR 61 Cb -0.01 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1puq s THR 61 CO 0.22 -0.87 -0.09 -2.16 -0.54 0.00 0.00 174.62 171.18 1puq s PRO 62 N -0.52 2.37 -1.24 3.99 0.04 -1.26 -3.33 135.00 135.06 1puq s PRO 62 Ca 0.19 -0.85 -0.20 0.00 0.04 0.00 0.00 61.00 60.18 1puq s PRO 62 Cb -0.20 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1puq s PRO 62 CO -0.04 0.56 1.84 1.04 0.04 0.00 0.00 177.00 180.44 1puq n GLN 63 N 1.27 2.40 -5.15 4.56 6.02 0.16 -4.85 117.38 121.78 1puq n GLN 63 Ca -0.15 -2.86 -0.31 0.00 -0.01 0.00 0.00 57.00 53.67 1puq n GLN 63 Cb 0.52 -3.60 -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 7.55 2.43 0.00 1.08 2.46 -1.25 -0.03 115.29 127.54 1puq s HIS 64 Ca 0.61 -0.98 0.00 0.00 0.47 0.00 0.00 55.06 55.16 1puq s HIS 64 Cb 0.02 -1.63 0.00 0.00 -0.13 0.00 0.00 32.58 30.84 1puq s HIS 64 CO 0.11 -0.40 0.00 0.34 -2.47 0.00 0.00 174.74 172.32 1puq n PHE 65 N 3.54 0.00 -2.28 3.88 7.35 -0.61 -4.94 117.46 124.40 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 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 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 -3.70 -2.13 2.88 -1.24 -4.03 113.62 105.41 1puq n SER 66 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1puq n SER 66 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.00 -0.09 0.04 2.46 0.05 -1.26 -0.79 118.68 119.08 1puq s LEU 67 Ca 0.00 0.94 -0.17 0.00 0.05 0.00 0.00 54.13 54.96 1puq s LEU 67 Cb 0.00 1.46 -0.26 0.00 -2.05 0.00 0.00 46.19 45.35 1puq s LEU 67 CO 0.00 -0.19 1.11 2.19 -0.55 0.00 0.00 176.35 178.91 1puq h PHE 68 N 6.82 0.86 -1.44 3.48 -5.15 -1.74 -3.42 116.94 116.35 1puq h PHE 68 Ca -0.35 -0.50 0.13 0.00 -0.20 0.00 0.00 57.97 57.05 1puq h PHE 68 Cb 1.19 -0.08 -0.28 0.00 0.22 0.00 0.00 35.95 36.99 1puq h PHE 68 CO 0.26 1.34 0.47 -1.21 -2.00 0.00 0.00 178.31 177.16 1puq s GLU 69 N -3.12 0.32 -0.12 6.09 2.02 -1.23 -5.06 118.70 117.62 1puq s GLU 69 Ca -0.11 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1puq s GLU 69 Cb 0.05 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 1puq s GLU 69 CO 0.88 -0.06 -0.12 -1.59 0.02 0.00 0.00 175.26 174.39 1puq s LYS 70 N 1.12 3.25 -0.07 1.61 0.00 -1.26 -3.40 119.74 120.99 1puq s LYS 70 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 55.97 55.25 1puq s LYS 70 Cb -0.04 -2.62 -0.03 0.00 0.00 0.00 0.00 37.83 35.14 1puq s LYS 70 CO -0.13 0.31 -0.07 -1.17 0.00 0.00 0.00 175.35 174.28 1puq s LEU 71 N 0.12 3.14 -0.18 2.77 2.96 0.31 -4.97 118.68 122.83 1puq s LEU 71 Ca -0.06 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1puq s LEU 71 Cb -0.15 -1.69 0.06 0.00 0.50 0.00 0.00 46.19 44.92 1puq s LEU 71 CO 0.04 0.35 0.08 -0.70 -1.32 0.00 0.00 176.35 174.80 1puq s GLU 72 N -0.71 0.23 -0.03 1.98 2.12 -1.26 -1.44 118.70 119.60 1puq s GLU 72 Ca 0.11 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 55.22 1puq s GLU 72 Cb -0.11 -1.89 0.01 0.00 0.26 0.00 0.00 34.13 32.40 1puq s GLU 72 CO 0.02 -0.68 0.06 1.52 -0.54 0.00 0.00 175.26 175.64 1puq s TYR 73 N 2.06 -0.06 -0.08 5.30 1.13 -1.20 -5.04 117.35 119.46 1puq s TYR 73 Ca 0.01 0.18 0.05 0.00 -1.41 0.00 0.00 57.07 55.90 1puq s TYR 73 Cb -0.16 -0.03 -0.00 0.00 -1.10 0.00 0.00 41.96 40.66 1puq s TYR 73 CO -0.10 -0.05 -0.23 -1.83 -2.51 0.00 0.00 175.55 170.83 1puq s GLU 74 N 0.33 2.69 0.63 -3.49 -1.05 -1.26 -2.72 118.70 113.83 1puq s GLU 74 Ca -0.02 -0.83 -0.09 0.00 -0.15 0.00 0.00 54.97 53.88 1puq s GLU 74 Cb -0.04 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 1puq s GLU 74 CO -0.01 0.24 0.98 -0.06 0.95 0.00 0.00 175.26 177.36 1puq s PHE 75 N 0.18 3.34 0.54 4.83 0.08 0.29 -4.90 117.98 122.34 1puq s PHE 75 Ca -0.13 0.88 0.41 0.00 0.12 0.00 0.00 56.93 58.21 1puq s PHE 75 Cb -0.16 -2.84 1.41 0.00 -0.57 0.00 0.00 43.02 40.86 1puq s PHE 75 CO 0.06 -0.92 1.39 -0.35 -0.10 0.00 0.00 175.22 175.31 1puq n PRO 76 N -2.75 0.00 0.00 0.24 -0.04 -1.26 -3.04 135.00 128.15 1puq n PRO 76 Ca 0.05 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 1puq n PRO 76 Cb 0.57 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1puq n PRO 76 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1puq n ASP 77 N -3.60 0.05 -4.50 3.54 5.75 -1.26 -5.03 116.55 111.50 1puq n ASP 77 Ca 0.36 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.72 1puq n ASP 77 Cb 1.77 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 41.82 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1puq s ARG 78 N -1.01 3.23 -0.62 0.11 3.52 -1.17 -1.86 118.95 121.15 1puq s ARG 78 Ca 0.00 -0.49 -0.20 0.00 -0.13 0.00 0.00 55.73 54.91 1puq s ARG 78 Cb 0.00 -4.14 0.09 0.00 -1.56 0.00 0.00 34.95 29.35 1puq s ARG 78 CO 0.00 -1.70 0.79 -1.58 -0.81 0.00 0.00 175.30 172.00 1puq s HIS 79 N 4.20 2.90 0.03 5.12 5.65 0.28 0.11 115.29 133.57 1puq s HIS 79 Ca 0.28 -0.84 -0.01 0.00 0.25 0.00 0.00 55.06 54.74 1puq s HIS 79 Cb -0.14 -4.10 -0.04 0.00 -1.18 0.00 0.00 32.58 27.12 1puq s HIS 79 CO 0.15 -1.41 0.17 -1.50 -0.65 0.00 0.00 174.74 171.50 1puq s ILE 80 N 3.11 5.22 -0.10 0.89 2.07 -1.10 0.70 121.20 131.98 1puq s ILE 80 Ca 0.15 -0.35 -0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1puq s ILE 80 Cb -0.22 -3.48 0.03 0.00 0.13 0.00 0.00 42.46 38.92 1puq s ILE 80 CO 0.07 0.24 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.44 1puq s THR 81 N -1.38 0.53 -0.27 4.00 2.01 -0.17 -3.21 115.64 117.14 1puq s THR 81 Ca 0.30 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 1puq s THR 81 Cb -0.13 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.71 1puq s THR 81 CO 0.22 0.21 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.57 1puq s LEU 82 N 1.90 3.46 -0.21 4.42 1.02 -0.52 0.42 118.68 129.18 1puq s LEU 82 Ca 0.04 -0.99 -0.04 0.00 0.02 0.00 0.00 54.13 53.16 1puq s LEU 82 Cb -0.13 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.37 1puq s LEU 82 CO -0.06 -0.17 -0.04 0.26 0.02 0.00 0.00 176.35 176.36 1puq s TRP 83 N 1.31 2.97 -0.28 0.29 0.52 0.19 -0.53 118.94 123.41 1puq s TRP 83 Ca -0.01 -0.75 -0.03 0.00 0.02 0.00 0.00 56.10 55.33 1puq s TRP 83 Cb -0.18 -2.08 0.03 0.00 -1.15 0.00 0.00 33.47 30.10 1puq s TRP 83 CO -0.03 -0.41 0.00 -0.06 0.02 0.00 0.00 176.95 176.47 1puq s PHE 84 N 1.22 3.17 0.11 -1.98 0.40 -1.22 0.13 117.98 119.82 1puq s PHE 84 Ca 0.03 -1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 54.75 1puq s PHE 84 Cb -0.14 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 1puq s PHE 84 CO -0.01 -0.73 0.37 -1.58 0.70 0.00 0.00 175.22 173.97 1puq s TRP 85 N 1.34 3.51 0.04 0.36 0.52 0.46 -2.62 118.94 122.54 1puq s TRP 85 Ca -0.02 0.59 -0.18 0.00 0.02 0.00 0.00 56.10 56.51 1puq s TRP 85 Cb -0.18 -2.03 -0.06 0.00 -1.15 0.00 0.00 33.47 30.05 1puq s TRP 85 CO -0.01 0.47 0.53 -1.17 0.02 0.00 0.00 176.95 176.79 1puq s LEU 86 N -2.42 4.49 0.04 2.99 2.96 0.03 -2.33 118.68 124.44 1puq s LEU 86 Ca 0.38 1.16 0.08 0.00 -0.22 0.00 0.00 54.13 55.53 1puq s LEU 86 Cb -0.13 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1puq s LEU 86 CO 0.22 0.25 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.59 1puq s VAL 87 N -0.90 1.81 -0.06 1.68 1.01 -1.15 -1.58 120.40 121.21 1puq s VAL 87 Ca 0.28 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1puq s VAL 87 Cb -0.18 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 1puq s VAL 87 CO 0.17 0.26 0.06 -0.62 0.00 0.00 0.00 175.10 174.97 1puq n GLU 88 N 1.83 2.15 -3.46 2.72 -0.58 -0.29 -3.81 120.64 119.21 1puq n GLU 88 Ca -0.17 -0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.44 1puq n GLU 88 Cb 0.53 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 30.17 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1puq s ARG 89 N -2.28 1.09 -0.20 3.49 6.06 0.96 -4.61 118.95 123.45 1puq s ARG 89 Ca -0.04 -0.40 -0.08 0.00 -2.50 0.00 0.00 55.73 52.71 1puq s ARG 89 Cb 0.03 0.50 0.08 0.00 0.06 0.00 0.00 34.95 35.62 1puq s ARG 89 CO 0.33 -0.48 0.45 1.67 -2.50 0.00 0.00 175.30 174.77 1puq s TRP 90 N -3.48 -0.80 0.44 5.12 -2.14 -1.21 0.36 118.94 117.23 1puq s TRP 90 Ca 0.03 1.55 -0.21 0.00 2.66 0.00 0.00 56.10 60.13 1puq s TRP 90 Cb -0.01 0.35 -0.10 0.00 -3.10 0.00 0.00 33.47 30.60 1puq s TRP 90 CO -0.11 -0.46 0.97 -2.00 -2.66 0.00 0.00 176.95 172.69 1puq s GLU 91 N 2.25 4.13 3.74 3.25 -6.30 -1.21 -4.88 118.70 119.68 1puq s GLU 91 Ca -0.05 1.17 0.00 0.00 -2.50 0.00 0.00 54.97 53.60 1puq s GLU 91 Cb -0.11 -2.16 0.00 0.00 0.00 0.00 0.00 34.13 31.86 1puq s GLU 91 CO -0.14 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1puq n GLY 92 N -0.57 1.86 3.65 -1.50 0.00 -1.26 -4.58 105.19 102.78 1puq n GLY 92 Ca 0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 3.48 0.01 1.61 2.12 -1.26 -5.08 118.70 119.57 1puq s GLU 93 Ca 0.00 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.65 1puq s GLU 93 Cb 0.00 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1puq s GLU 93 CO 0.00 0.49 1.14 -2.14 -0.54 0.00 0.00 175.26 174.21 1puq s PRO 94 N -0.27 4.45 0.13 4.30 0.02 -1.26 -4.78 135.00 137.58 1puq s PRO 94 Ca 0.07 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1puq s PRO 94 Cb -0.12 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1puq s PRO 94 CO 0.02 -0.25 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1puq n TRP 95 N 4.24 -0.55 0.00 6.54 4.27 -0.82 -4.92 117.44 126.20 1puq n TRP 95 Ca 0.09 0.10 0.00 0.00 -3.89 0.00 0.00 57.50 53.79 1puq n TRP 95 Cb 0.48 0.14 0.00 0.00 -1.36 0.00 0.00 31.31 30.57 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 3.01 1.70 0.00 -1.67 0.00 0.21 -4.06 105.19 104.37 1puq n GLY 96 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.74 0.00 0.05 1.61 0.00 0.31 -4.66 118.16 116.21 1puq n LYS 97 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 1puq n LYS 97 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1puq h GLU 98 N 0.00 0.44 0.00 1.64 -0.00 -1.78 -3.44 114.58 111.43 1puq h GLU 98 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 59.36 58.99 1puq h GLU 98 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.83 1puq h GLU 98 CO 0.00 1.02 0.00 0.41 -0.00 0.00 0.00 179.01 180.44 1puq n GLY 99 N 0.63 0.45 2.51 1.06 0.00 -1.26 -4.99 105.19 103.59 1puq n GLY 99 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1puq n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1puq s GLN 100 N -0.79 0.33 0.35 1.61 1.11 -1.26 -5.01 119.66 116.00 1puq s GLN 100 Ca 0.00 -0.84 -0.24 0.00 0.01 0.00 0.00 55.36 54.29 1puq s GLN 100 Cb 0.00 -1.20 -0.15 0.00 -1.01 0.00 0.00 33.01 30.65 1puq s GLN 100 CO 0.00 -1.10 0.47 -2.30 0.01 0.00 0.00 175.29 172.38 1puq n PRO 101 N 4.77 0.37 -4.41 2.91 -0.02 -1.26 -4.29 135.00 133.08 1puq n PRO 101 Ca 0.01 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.41 1puq n PRO 101 Cb 0.40 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.93 2.37 0.05 -1.23 0.00 -1.26 -3.43 107.32 102.89 1puq s GLY 102 Ca 0.62 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1puq s GLY 102 CO 0.59 -1.67 -0.04 -0.54 0.00 0.00 0.00 173.10 171.44 1puq s GLU 103 N -3.68 0.57 -0.32 2.90 2.02 -1.25 -4.96 118.70 113.98 1puq s GLU 103 Ca 0.31 -1.09 -0.27 0.00 0.02 0.00 0.00 54.97 53.95 1puq s GLU 103 Cb 0.03 0.11 -0.06 0.00 0.10 0.00 0.00 34.13 34.32 1puq s GLU 103 CO 0.19 -0.08 2.30 -1.58 0.02 0.00 0.00 175.26 176.10 1puq s TRP 104 N -3.25 1.12 0.32 1.61 0.51 -1.26 -3.75 118.94 114.25 1puq s TRP 104 Ca 0.02 0.92 0.10 0.00 -2.12 0.00 0.00 56.10 55.02 1puq s TRP 104 Cb 0.03 -3.80 -0.06 0.00 -0.81 0.00 0.00 33.47 28.83 1puq s TRP 104 CO -0.07 -3.53 -0.13 -1.64 -0.51 0.00 0.00 176.95 171.08 1puq s MET 105 N 7.07 1.77 -0.35 4.98 -1.94 -0.77 -4.91 119.30 125.15 1puq s MET 105 Ca 1.00 -1.89 -0.20 0.00 -1.71 0.00 0.00 55.69 52.89 1puq s MET 105 Cb -0.27 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 34.86 1puq s MET 105 CO 0.32 0.20 0.64 -1.54 -0.01 0.00 0.00 175.02 174.62 1puq s SER 106 N -3.58 6.43 0.50 3.03 1.04 -1.26 0.19 113.70 120.05 1puq s SER 106 Ca 0.32 0.16 0.33 0.00 0.48 0.00 0.00 55.95 57.24 1puq s SER 106 Cb 0.00 -2.33 1.52 0.00 0.10 0.00 0.00 66.02 65.32 1puq s SER 106 CO 0.16 -0.59 1.99 0.25 0.98 0.00 0.00 173.24 176.03 1puq h LEU 107 N 9.37 0.00 -1.31 2.42 7.12 -1.81 -2.89 115.31 128.21 1puq h LEU 107 Ca -0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.75 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 0.83 0.00 0.26 1.62 -0.13 0.00 0.00 178.44 181.02 1puq h VAL 108 N 0.00 0.00 -1.53 1.05 3.04 -1.91 -2.33 116.25 114.57 1puq h VAL 108 Ca 0.00 0.00 -0.43 0.00 -1.01 0.00 0.00 66.70 65.26 1puq h VAL 108 Cb 0.33 0.44 -0.40 0.00 -2.01 0.00 0.00 31.29 29.64 1puq h VAL 108 CO 0.00 0.00 -1.17 0.61 -1.01 0.00 0.00 177.57 176.00 1puq n GLY 109 N -1.26 2.77 3.74 3.17 0.00 -1.09 -4.97 105.19 107.55 1puq n GLY 109 Ca -0.01 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.82 3.57 -0.68 0.99 2.96 -0.88 -4.96 118.68 116.86 1puq s LEU 110 Ca 0.34 2.52 -0.16 0.00 -0.22 0.00 0.00 54.13 56.62 1puq s LEU 110 Cb 0.40 -4.61 0.16 0.00 0.50 0.00 0.00 46.19 42.64 1puq s LEU 110 CO -0.03 -1.91 0.68 0.21 -1.32 0.00 0.00 176.35 173.98 1puq s ASN 111 N -1.53 6.43 0.49 3.68 3.84 -1.26 -4.87 114.94 121.71 1puq s ASN 111 Ca 0.80 -2.07 0.28 0.00 0.21 0.00 0.00 52.86 52.08 1puq s ASN 111 Cb -0.34 -2.24 1.00 0.00 -0.55 0.00 0.00 41.25 39.12 1puq s ASN 111 CO 0.38 -0.82 1.85 0.00 -2.79 0.00 0.00 177.10 175.72 1puq h ALA 112 N 8.54 0.99 0.11 1.71 0.00 -1.93 -2.50 119.26 126.18 1puq h ALA 112 Ca -0.12 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1puq h ALA 112 Cb 1.07 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1puq h ALA 112 CO 0.95 0.12 -0.74 0.22 0.00 0.00 0.00 179.25 179.81 1puq h ASP 113 N 0.00 0.47 -0.51 0.00 1.82 -1.92 -3.35 116.42 112.92 1puq h ASP 113 Ca -0.00 -0.91 -0.09 0.00 -0.39 0.00 0.00 57.03 55.63 1puq h ASP 113 Cb 0.70 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 1puq h ASP 113 CO 0.01 1.34 -0.05 0.44 -1.61 0.00 0.00 179.24 179.37 1puq h ASP 114 N -0.33 0.93 -4.20 2.28 5.19 -1.89 -3.45 116.42 114.95 1puq h ASP 114 Ca -0.12 -0.33 -0.45 0.00 -0.62 0.00 0.00 57.03 55.51 1puq h ASP 114 Cb 1.55 -0.25 0.14 0.00 0.18 0.00 0.00 39.33 40.95 1puq h ASP 114 CO 0.14 1.04 0.38 0.72 -3.12 0.00 0.00 179.24 178.40 1puq s PHE 115 N -4.93 2.07 0.09 4.55 -0.71 -0.95 -3.52 117.98 114.58 1puq s PHE 115 Ca -0.12 0.55 -0.35 0.00 -1.04 0.00 0.00 56.93 55.97 1puq s PHE 115 Cb 0.12 -3.76 -0.14 0.00 -1.21 0.00 0.00 43.02 38.03 1puq s PHE 115 CO 0.84 -2.43 1.61 -0.35 -1.34 0.00 0.00 175.22 173.54 1puq n PRO 116 N -3.71 1.98 -0.12 1.99 -0.04 -1.26 -4.89 135.00 128.95 1puq n PRO 116 Ca 0.11 0.72 -0.10 0.00 -0.04 0.00 0.00 63.50 64.19 1puq n PRO 116 Cb 0.60 -2.48 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 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 6.39 0.90 0.00 0.54 0.13 -1.86 -2.69 132.00 135.40 1puq h PRO 117 Ca -0.46 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1puq h PRO 117 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1puq h PRO 117 CO 0.89 1.05 0.00 0.00 -0.23 0.00 0.00 178.00 179.71 1puq n ALA 118 N -2.52 1.67 -0.70 -0.56 0.00 -1.26 -1.84 120.51 115.30 1puq n ALA 118 Ca -0.00 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1puq n ALA 118 Cb 0.47 -1.23 0.33 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 4.65 0.09 0.00 3.02 -1.02 -4.55 115.26 115.97 1puq n ASN 119 Ca 0.04 -2.60 -0.02 0.00 -0.03 0.00 0.00 54.58 51.97 1puq n ASN 119 Cb 0.16 -0.56 0.24 0.00 -0.61 0.00 0.00 39.78 39.01 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 3.50 0.27 -1.36 3.52 4.22 -1.42 -3.22 114.58 120.09 1puq h GLU 120 Ca 0.00 -0.12 0.41 0.00 0.08 0.00 0.00 59.36 59.73 1puq h GLU 120 Cb 1.49 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.64 1puq h GLU 120 CO 0.26 0.60 0.93 -1.35 -2.18 0.00 0.00 179.01 177.27 1puq h PRO 121 N 0.23 0.10 0.02 0.92 0.11 -1.84 1.16 132.00 132.70 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 0.75 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1puq h PRO 121 CO 0.06 0.07 -0.01 0.28 -0.21 0.00 0.00 178.00 178.19 1puq h VAL 122 N 0.11 1.45 -0.18 3.15 2.07 -1.94 -3.34 116.25 117.58 1puq h VAL 122 Ca 0.74 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1puq h VAL 122 Cb 2.53 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 34.95 1puq h VAL 122 CO -0.22 0.46 -0.34 0.40 0.02 0.00 0.00 177.57 177.89 1puq h ILE 123 N -0.91 1.28 -0.39 4.57 1.08 -1.06 -2.69 117.51 119.39 1puq h ILE 123 Ca -0.00 -1.39 0.11 0.00 -0.39 0.00 0.00 64.86 63.19 1puq h ILE 123 Cb 0.77 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 36.03 1puq h ILE 123 CO 0.00 0.43 0.35 0.00 -0.69 0.00 0.00 178.15 178.24 1puq h ALA 124 N 1.33 2.18 0.00 1.87 0.00 0.11 1.78 119.26 126.53 1puq h ALA 124 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1puq h ALA 124 Cb 0.75 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1puq h ALA 124 CO 0.06 -0.55 -0.06 0.87 0.00 0.00 0.00 179.25 179.57 1puq h LYS 125 N 0.00 0.00 0.05 0.00 1.79 -1.59 -3.31 116.57 113.51 1puq h LYS 125 Ca 0.19 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.42 1puq h LYS 125 Cb 0.89 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1puq h LYS 125 CO -0.00 0.68 -1.05 1.25 -1.08 0.00 0.00 179.45 179.25 1puq h LEU 126 N -1.00 0.31 -0.82 2.94 5.85 -1.41 -3.30 115.31 117.89 1puq h LEU 126 Ca -0.01 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.52 1puq h LEU 126 Cb 0.70 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1puq h LEU 126 CO -0.01 1.17 0.44 0.50 -0.34 0.00 0.00 178.44 180.21 1puq h LYS 127 N 0.09 0.69 0.00 1.25 3.64 0.25 0.88 116.57 123.37 1puq h LYS 127 Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1puq h LYS 127 Cb 1.74 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1puq h LYS 127 CO 0.16 0.45 0.00 -2.13 -2.27 0.00 0.00 179.45 175.67 1puq n ARG 128 N -4.80 0.00 -0.45 1.90 0.63 -1.24 -4.89 116.66 107.81 1puq n ARG 128 Ca 0.14 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1puq n ARG 128 Cb 0.33 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1puq n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40