#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 3.89 -0.03 2.12 2.20 -0.07 -4.99 119.74 122.86 1puq s LYS 2 Ca 0.00 0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.98 1puq s LYS 2 Cb 0.00 -2.88 0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1puq s LYS 2 CO 0.00 0.46 0.04 -1.59 -0.36 0.00 0.00 175.35 173.90 1puq s LYS 3 N -2.15 -0.05 -0.11 4.03 0.00 -1.26 0.34 119.74 120.53 1puq s LYS 3 Ca 0.39 0.25 -0.05 0.00 0.00 0.00 0.00 55.97 56.57 1puq s LYS 3 Cb -0.14 -0.33 0.06 0.00 0.00 0.00 0.00 37.83 37.41 1puq s LYS 3 CO 0.19 -0.22 0.24 -0.48 0.00 0.00 0.00 175.35 175.08 1puq s LEU 4 N 1.43 -0.08 0.16 2.77 0.05 0.28 -4.91 118.68 118.39 1puq s LEU 4 Ca -0.04 0.53 0.04 0.00 0.05 0.00 0.00 54.13 54.70 1puq s LEU 4 Cb -0.13 0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 44.60 1puq s LEU 4 CO -0.03 -0.22 0.22 -1.10 -0.55 0.00 0.00 176.35 174.66 1puq s GLN 5 N 2.11 3.17 -0.11 1.48 -0.21 -1.26 -1.96 119.66 122.88 1puq s GLN 5 Ca -0.01 -0.75 -0.06 0.00 0.02 0.00 0.00 55.36 54.56 1puq s GLN 5 Cb -0.12 -2.80 0.05 0.00 1.00 0.00 0.00 33.01 31.14 1puq s GLN 5 CO -0.08 0.50 0.26 0.42 -2.12 0.00 0.00 175.29 174.27 1puq s ILE 6 N -1.77 -0.05 -0.11 1.08 1.09 0.50 -3.27 121.20 118.67 1puq s ILE 6 Ca 0.33 0.15 0.02 0.00 -1.10 0.00 0.00 60.65 60.04 1puq s ILE 6 Cb -0.10 -0.40 0.01 0.00 -1.06 0.00 0.00 42.46 40.91 1puq s ILE 6 CO 0.26 0.06 -0.16 0.00 -0.10 0.00 0.00 174.94 175.00 1puq s ALA 7 N 1.31 1.76 0.11 9.38 0.00 -1.25 -0.64 121.76 132.41 1puq s ALA 7 Ca -0.09 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1puq s ALA 7 Cb -0.10 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 1puq s ALA 7 CO -0.09 -0.07 0.14 0.14 0.00 0.00 0.00 175.76 175.88 1puq s VAL 8 N 0.97 0.13 -0.14 0.00 -7.23 0.16 -2.46 120.40 111.82 1puq s VAL 8 Ca -0.07 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 58.51 1puq s VAL 8 Cb -0.15 -1.63 0.05 0.00 0.56 0.00 0.00 36.38 35.21 1puq s VAL 8 CO -0.02 -0.61 0.35 -0.83 -0.31 0.00 0.00 175.10 173.69 1puq s GLY 9 N -2.93 -0.26 -0.25 2.32 0.00 -1.12 0.11 107.32 105.20 1puq s GLY 9 Ca 0.12 1.26 -0.29 0.00 0.00 0.00 0.00 44.72 45.81 1puq s GLY 9 CO -0.06 1.38 1.56 -0.42 0.00 0.00 0.00 173.10 175.57 1puq s ILE 10 N 1.10 3.77 -0.05 0.90 -1.09 -1.07 -4.48 121.20 120.28 1puq s ILE 10 Ca -0.07 0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 58.91 1puq s ILE 10 Cb -0.08 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1puq s ILE 10 CO -0.09 -0.35 1.40 -0.63 -1.23 0.00 0.00 174.94 174.04 1puq s ILE 11 N 5.15 3.85 -0.19 2.92 1.01 -1.26 -2.71 121.20 129.98 1puq s ILE 11 Ca 0.69 1.16 -0.25 0.00 0.00 0.00 0.00 60.65 62.25 1puq s ILE 11 Cb -0.23 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1puq s ILE 11 CO 0.28 -0.04 0.81 -0.13 0.00 0.00 0.00 174.94 175.87 1puq s ARG 12 N 2.89 4.26 0.21 2.79 1.81 -1.25 -2.17 118.95 127.50 1puq s ARG 12 Ca 0.63 0.96 -0.03 0.00 -1.72 0.00 0.00 55.73 55.57 1puq s ARG 12 Cb -0.29 -3.59 0.05 0.00 -0.45 0.00 0.00 34.95 30.67 1puq s ARG 12 CO 0.24 -0.36 0.29 -1.71 -0.68 0.00 0.00 175.30 173.08 1puq n ASN 13 N 5.38 0.08 -0.08 0.23 5.15 0.57 -3.16 115.26 123.42 1puq n ASN 13 Ca 0.04 -1.14 0.14 0.00 -0.60 0.00 0.00 54.58 53.03 1puq n ASN 13 Cb 0.49 -0.21 0.80 0.00 -0.53 0.00 0.00 39.78 40.32 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 -1.60 1.11 -2.77 1.20 2.13 -1.26 -3.99 120.64 115.46 1puq n GLU 14 Ca 0.04 -0.16 -0.11 0.00 0.66 0.00 0.00 57.16 57.58 1puq n GLU 14 Cb 0.13 -1.45 0.02 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 -0.76 1.35 -1.38 4.31 4.05 -1.26 -4.94 115.26 116.63 1puq n ASN 15 Ca 0.21 -2.79 -0.08 0.00 0.45 0.00 0.00 54.58 52.37 1puq n ASN 15 Cb 0.14 -0.55 -0.03 0.00 1.23 0.00 0.00 39.78 40.57 1puq n ASN 15 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1puq n ASN 16 N 0.01 -2.18 -4.63 1.20 6.94 -1.26 -4.90 115.26 110.44 1puq n ASN 16 Ca 0.13 0.21 -0.28 0.00 -0.02 0.00 0.00 54.58 54.62 1puq n ASN 16 Cb 0.78 -2.20 -0.08 0.00 -2.36 0.00 0.00 39.78 35.92 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1puq s GLU 17 N -2.95 2.29 0.01 -3.83 -1.05 -1.26 -4.60 118.70 107.31 1puq s GLU 17 Ca 0.00 -1.10 0.07 0.00 -0.15 0.00 0.00 54.97 53.79 1puq s GLU 17 Cb 0.00 -2.32 -0.02 0.00 -0.44 0.00 0.00 34.13 31.35 1puq s GLU 17 CO 0.00 0.47 -0.22 0.42 0.95 0.00 0.00 175.26 176.88 1puq s ILE 18 N -1.59 1.72 -0.29 1.83 1.01 0.45 0.21 121.20 124.53 1puq s ILE 18 Ca 0.26 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 1puq s ILE 18 Cb -0.10 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 1puq s ILE 18 CO 0.17 0.38 0.76 0.12 0.00 0.00 0.00 174.94 176.37 1puq s PHE 19 N -0.62 3.23 0.04 3.97 2.19 -0.92 -0.23 117.98 125.63 1puq s PHE 19 Ca 0.08 0.83 0.05 0.00 0.33 0.00 0.00 56.93 58.22 1puq s PHE 19 Cb -0.09 -3.13 -0.02 0.00 -1.31 0.00 0.00 43.02 38.47 1puq s PHE 19 CO 0.00 -0.51 -0.15 0.42 1.83 0.00 0.00 175.22 176.81 1puq s ILE 20 N 2.86 1.21 -0.31 3.12 1.01 -1.20 -4.18 121.20 123.70 1puq s ILE 20 Ca 0.31 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 1puq s ILE 20 Cb -0.14 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1puq s ILE 20 CO 0.11 0.06 1.61 0.42 0.00 0.00 0.00 174.94 177.14 1puq s THR 21 N -0.81 3.69 -0.01 2.92 -4.23 0.16 -3.56 115.64 113.80 1puq s THR 21 Ca 0.03 0.74 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 1puq s THR 21 Cb -0.08 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 69.92 1puq s THR 21 CO 0.01 -0.47 0.07 -0.60 -0.54 0.00 0.00 174.62 173.10 1puq s ARG 22 N 5.07 0.25 2.29 3.99 3.52 -1.25 0.12 118.95 132.94 1puq s ARG 22 Ca 0.71 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1puq s ARG 22 Cb -0.21 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1puq s ARG 22 CO 0.31 -0.05 0.00 -2.13 -0.81 0.00 0.00 175.30 172.63 1puq n ARG 23 N 2.29 0.00 -3.58 5.12 3.00 -0.69 -4.80 116.66 118.00 1puq n ARG 23 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1puq n ARG 23 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1puq n ALA 24 N 8.74 0.00 -0.08 5.13 0.00 -1.23 -4.11 120.51 128.96 1puq n ALA 24 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1puq n ALA 24 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 1.62 0.00 0.00 0.00 -1.26 -4.86 120.51 116.01 1puq n ALA 25 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1puq n ALA 25 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.59 0.58 -2.80 0.00 5.68 -1.26 -5.10 116.55 111.06 1puq n ASP 26 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1puq n ASP 26 Cb 0.99 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.97 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 -2.35 0.00 -1.51 2.12 0.00 -1.26 -5.08 120.51 112.43 1puq n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 27 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1puq n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1puq n HIS 28 N -1.64 0.00 -2.35 0.00 -0.00 -1.26 -4.58 115.22 105.39 1puq n HIS 28 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 1puq n HIS 28 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1puq n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1puq n MET 29 N -0.44 -2.44 0.29 1.57 2.81 -1.26 -3.50 117.12 114.14 1puq n MET 29 Ca 0.00 0.34 0.18 0.00 -1.81 0.00 0.00 57.70 56.41 1puq n MET 29 Cb 0.00 -4.85 0.97 0.00 -0.71 0.00 0.00 33.22 28.63 1puq n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1puq h ALA 30 N 1.03 1.44 -0.69 3.04 0.00 -1.91 -0.25 119.26 121.91 1puq h ALA 30 Ca -0.16 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.38 1puq h ALA 30 Cb 1.06 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.64 1puq h ALA 30 CO 0.19 -0.13 0.30 -1.71 0.00 0.00 0.00 179.25 177.90 1puq n ASN 31 N -3.50 3.23 -0.89 0.00 5.15 -1.26 -4.35 115.26 113.65 1puq n ASN 31 Ca -0.01 -3.71 0.02 0.00 -0.60 0.00 0.00 54.58 50.28 1puq n ASN 31 Cb 0.19 -0.74 0.21 0.00 -0.53 0.00 0.00 39.78 38.90 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1puq n LYS 32 N -1.13 2.00 -1.24 1.20 3.00 -0.19 -4.37 118.16 117.43 1puq n LYS 32 Ca 0.47 -3.04 -0.33 0.00 -0.00 0.00 0.00 58.31 55.42 1puq n LYS 32 Cb 1.35 -1.76 -0.10 0.00 0.00 0.00 0.00 35.03 34.52 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 -1.02 2.11 0.00 3.14 0.00 -1.19 -4.05 117.00 116.00 1puq n LEU 33 Ca 0.26 -2.39 -0.04 0.00 0.00 0.00 0.00 56.01 53.85 1puq n LEU 33 Cb 0.91 -1.21 -0.01 0.00 0.00 0.00 0.00 43.42 43.11 1puq n LEU 33 CO 0.13 -2.12 -0.03 1.21 0.00 0.00 0.00 177.39 176.58 1puq n GLU 34 N 7.89 1.52 -4.55 1.96 2.13 0.32 -4.15 120.64 125.77 1puq n GLU 34 Ca 0.45 -0.46 -0.27 0.00 0.66 0.00 0.00 57.16 57.54 1puq n GLU 34 Cb 0.44 0.16 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 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 -1.40 2.50 0.71 4.31 0.40 -1.26 0.36 117.98 123.60 1puq s PHE 35 Ca 0.01 -0.61 -0.09 0.00 -0.60 0.00 0.00 56.93 55.63 1puq s PHE 35 Cb 0.00 -1.69 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1puq s PHE 35 CO 0.01 0.46 1.06 -1.25 0.70 0.00 0.00 175.22 176.19 1puq s PRO 36 N -3.70 2.47 0.00 0.24 0.04 -1.26 -4.50 135.00 128.28 1puq s PRO 36 Ca 0.35 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1puq s PRO 36 Cb 0.07 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1puq s PRO 36 CO 0.18 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1puq n GLY 37 N -2.98 0.35 3.56 0.56 0.00 -1.26 -2.78 105.19 102.64 1puq n GLY 37 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.47 1.59 0.00 -0.02 0.00 -1.03 -3.72 107.32 102.66 1puq s GLY 38 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1puq s GLY 38 CO 0.00 0.68 0.00 1.17 0.00 0.00 0.00 173.10 174.95 1puq n LYS 39 N -4.65 0.00 -0.18 2.90 4.81 -1.26 -4.88 118.16 114.90 1puq n LYS 39 Ca 0.06 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.79 1puq n LYS 39 Cb 0.54 -2.22 0.72 0.00 0.02 0.00 0.00 35.03 34.09 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 -0.57 3.15 3.07 -1.77 -1.81 117.51 120.03 1puq h ILE 40 Ca 0.00 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.47 1puq h ILE 40 Cb 0.00 0.50 -0.09 0.00 -0.27 0.00 0.00 36.82 36.96 1puq h ILE 40 CO 0.00 0.00 -0.55 1.05 -1.05 0.00 0.00 178.15 177.60 1puq h GLU 41 N 0.00 -0.26 0.00 0.16 -0.00 -1.89 -3.32 114.58 109.27 1puq h GLU 41 Ca 0.44 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.81 1puq h GLU 41 Cb 1.84 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 30.65 1puq h GLU 41 CO -0.00 -0.17 0.00 -1.33 -0.00 0.00 0.00 179.01 177.50 1puq n MET 42 N -5.24 0.00 -0.82 1.06 2.81 -0.68 -3.67 117.12 110.58 1puq n MET 42 Ca -0.02 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1puq n MET 42 Cb 0.31 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.81 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 -0.53 1.64 3.03 0.00 -1.25 -5.14 105.19 102.93 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 -0.03 0.04 -3.70 1.61 4.71 -1.24 -5.09 120.64 116.94 1puq n GLU 44 Ca -0.02 -1.06 -0.28 0.00 -0.01 0.00 0.00 57.16 55.79 1puq n GLU 44 Cb 0.35 -0.37 -0.03 0.00 -1.01 0.00 0.00 31.44 30.37 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 -1.49 5.21 0.61 2.62 2.01 -1.26 -4.76 115.64 118.57 1puq s THR 45 Ca 0.29 -0.32 0.27 0.00 0.31 0.00 0.00 61.69 62.25 1puq s THR 45 Cb -0.01 -3.71 0.38 0.00 0.01 0.00 0.00 72.50 69.16 1puq s THR 45 CO 0.20 -0.13 1.48 1.55 -0.69 0.00 0.00 174.62 177.03 1puq h PRO 46 N 2.15 0.00 0.00 4.92 0.13 -1.98 1.23 132.00 138.45 1puq h PRO 46 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1puq h PRO 46 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1puq h PRO 46 CO 0.69 0.00 -2.18 0.39 -0.23 0.00 0.00 178.00 176.66 1puq n GLU 47 N -3.36 0.52 0.00 0.86 1.02 -1.26 -4.46 120.64 113.96 1puq n GLU 47 Ca 0.18 0.12 0.15 0.00 -0.02 0.00 0.00 57.16 57.59 1puq n GLU 47 Cb 1.26 -1.41 0.72 0.00 -0.02 0.00 0.00 31.44 31.98 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 -3.13 0.33 0.31 3.49 1.13 -0.01 -3.31 117.38 116.18 1puq n GLN 48 Ca -0.37 -0.01 -0.17 0.00 -1.94 0.00 0.00 57.00 54.52 1puq n GLN 48 Cb 0.89 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.65 1puq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1puq h ALA 49 N 3.32 -0.76 0.03 -1.58 0.00 0.12 -0.54 119.26 119.85 1puq h ALA 49 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1puq h ALA 49 Cb 0.34 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1puq h ALA 49 CO 0.00 -0.89 -0.22 -0.24 0.00 0.00 0.00 179.25 177.90 1puq h VAL 50 N -0.84 1.66 -0.94 0.00 3.04 -1.81 -2.49 116.25 114.86 1puq h VAL 50 Ca -0.08 -2.21 0.21 0.00 -1.01 0.00 0.00 66.70 63.62 1puq h VAL 50 Cb 0.61 3.12 -0.08 0.00 -2.01 0.00 0.00 31.29 32.94 1puq h VAL 50 CO 0.13 0.59 0.62 0.58 -1.01 0.00 0.00 177.57 178.47 1puq h VAL 51 N -0.72 0.66 0.02 1.51 2.07 -1.64 1.53 116.25 119.68 1puq h VAL 51 Ca -0.03 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1puq h VAL 51 Cb 1.09 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1puq h VAL 51 CO 0.04 0.08 -0.01 -0.09 0.02 0.00 0.00 177.57 177.61 1puq h ARG 52 N 0.45 -0.03 0.00 1.57 1.12 -1.16 -3.29 114.38 113.04 1puq h ARG 52 Ca 0.50 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.36 1puq h ARG 52 Cb 1.19 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 31.16 1puq h ARG 52 CO -0.22 0.69 -0.08 0.93 -3.11 0.00 0.00 179.97 178.17 1puq h GLU 53 N -0.94 0.00 -0.62 0.20 4.39 -0.92 -2.78 114.58 113.92 1puq h GLU 53 Ca -0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1puq h GLU 53 Cb 0.73 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 1puq h GLU 53 CO 0.00 0.08 0.36 1.25 -1.16 0.00 0.00 179.01 179.55 1puq h LEU 54 N 0.00 0.57 -0.60 1.33 5.85 0.21 1.01 115.31 123.68 1puq h LEU 54 Ca -0.00 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1puq h LEU 54 Cb 0.38 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1puq h LEU 54 CO 0.01 0.39 -0.61 1.56 -0.34 0.00 0.00 178.44 179.46 1puq h GLN 55 N 0.70 0.00 0.00 1.25 7.50 -1.59 0.53 115.11 123.50 1puq h GLN 55 Ca 0.26 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.26 1puq h GLN 55 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 1puq h GLN 55 CO -0.13 0.61 -0.69 1.49 -1.50 0.00 0.00 178.83 178.61 1puq h GLU 56 N 0.00 0.00 -0.31 1.46 4.22 -1.10 0.40 114.58 119.25 1puq h GLU 56 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1puq h GLU 56 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1puq h GLU 56 CO 0.08 0.69 0.00 0.39 -2.18 0.00 0.00 179.01 177.99 1puq n GLU 57 N -3.44 2.26 0.00 1.92 4.71 0.34 0.04 120.64 126.47 1puq n GLU 57 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 57.16 55.22 1puq n GLU 57 Cb 0.75 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.86 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 0.78 0.00 0.00 2.62 0.31 0.16 -3.97 118.33 118.23 1puq n VAL 58 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1puq n VAL 58 Cb 0.43 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 2.11 0.44 2.37 2.92 0.00 0.14 0.14 105.19 113.32 1puq n GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.91 119.36 103.49 1puq n ILE 60 Ca 0.00 -0.53 -0.35 0.00 -0.27 0.00 0.00 62.75 61.59 1puq n ILE 60 Cb 0.00 -1.55 -0.10 0.00 -1.74 0.00 0.00 39.64 36.25 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 -2.68 3.65 -0.01 7.28 -4.23 -1.26 -4.95 115.64 113.44 1puq s THR 61 Ca 0.47 -3.17 0.03 0.00 -1.18 0.00 0.00 61.69 57.84 1puq s THR 61 Cb -0.02 -3.37 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 1puq s THR 61 CO 0.34 -0.90 -0.06 -2.16 -0.54 0.00 0.00 174.62 171.29 1puq s PRO 62 N -0.31 2.62 -1.24 3.99 0.04 -1.26 -3.19 135.00 135.65 1puq s PRO 62 Ca 0.19 -0.67 -0.20 0.00 0.04 0.00 0.00 61.00 60.35 1puq s PRO 62 Cb -0.19 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 1puq s PRO 62 CO -0.04 0.62 1.84 1.04 0.04 0.00 0.00 177.00 180.50 1puq n GLN 63 N 1.67 2.37 -5.07 4.56 6.02 -0.48 -4.84 117.38 121.62 1puq n GLN 63 Ca -0.16 -2.85 -0.30 0.00 -0.01 0.00 0.00 57.00 53.68 1puq n GLN 63 Cb 0.53 -3.62 -0.17 0.00 1.02 0.00 0.00 30.24 28.00 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 7.75 2.22 0.00 1.08 2.46 -1.23 -0.25 115.29 127.32 1puq s HIS 64 Ca 0.61 -0.80 0.00 0.00 0.47 0.00 0.00 55.06 55.34 1puq s HIS 64 Cb 0.02 -1.49 0.00 0.00 -0.13 0.00 0.00 32.58 30.98 1puq s HIS 64 CO 0.11 -0.31 0.00 0.34 -2.47 0.00 0.00 174.74 172.41 1puq n PHE 65 N 3.37 0.00 -1.25 3.88 -0.00 -1.25 -4.94 117.46 117.27 1puq n PHE 65 Ca -0.19 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.40 1puq n PHE 65 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.95 1puq n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1puq n SER 66 N 0.00 -6.63 -3.79 -2.13 7.64 -1.22 -2.07 113.62 105.41 1puq n SER 66 Ca 0.00 0.89 -0.29 0.00 1.01 0.00 0.00 58.87 60.48 1puq n SER 66 Cb 0.00 -4.07 -0.16 0.00 -1.01 0.00 0.00 64.21 58.97 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 -6.39 1.71 -0.01 -3.43 0.20 -1.26 -1.39 118.68 108.11 1puq s LEU 67 Ca 0.00 -1.03 -0.20 0.00 0.69 0.00 0.00 54.13 53.59 1puq s LEU 67 Cb 0.00 -0.80 -0.25 0.00 -0.43 0.00 0.00 46.19 44.71 1puq s LEU 67 CO 0.00 -0.30 1.05 0.15 -0.29 0.00 0.00 176.35 176.96 1puq h PHE 68 N 8.14 0.60 -1.71 5.38 3.04 -1.53 -3.42 116.94 127.43 1puq h PHE 68 Ca -0.16 -0.35 0.17 0.00 3.98 0.00 0.00 57.97 61.61 1puq h PHE 68 Cb 1.09 -0.06 -0.19 0.00 2.56 0.00 0.00 35.95 39.35 1puq h PHE 68 CO 0.35 1.19 0.67 -2.00 -2.02 0.00 0.00 178.31 176.50 1puq s GLU 69 N -3.02 0.51 -0.23 1.11 2.12 0.00 -5.00 118.70 114.19 1puq s GLU 69 Ca -0.13 -0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 1puq s GLU 69 Cb 0.03 0.24 0.09 0.00 0.26 0.00 0.00 34.13 34.75 1puq s GLU 69 CO 0.82 -0.21 0.18 -1.59 -0.54 0.00 0.00 175.26 173.93 1puq s LYS 70 N -2.22 0.18 -0.22 4.30 -2.85 -1.26 0.17 119.74 117.83 1puq s LYS 70 Ca 0.05 -0.08 -0.14 0.00 -1.00 0.00 0.00 55.97 54.81 1puq s LYS 70 Cb -0.01 -1.27 -0.04 0.00 -2.06 0.00 0.00 37.83 34.45 1puq s LYS 70 CO -0.05 -0.80 0.30 -1.17 0.10 0.00 0.00 175.35 173.73 1puq s LEU 71 N 2.24 4.13 -0.24 2.77 0.20 0.15 -4.94 118.68 122.99 1puq s LEU 71 Ca 0.07 0.33 0.02 0.00 0.69 0.00 0.00 54.13 55.24 1puq s LEU 71 Cb -0.16 -2.34 0.06 0.00 -0.43 0.00 0.00 46.19 43.33 1puq s LEU 71 CO -0.20 -0.02 -0.08 -0.70 -0.29 0.00 0.00 176.35 175.06 1puq s GLU 72 N 1.25 1.86 0.03 1.98 2.12 -1.26 -0.41 118.70 124.26 1puq s GLU 72 Ca 0.14 -1.14 0.01 0.00 0.36 0.00 0.00 54.97 54.34 1puq s GLU 72 Cb -0.14 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 1puq s GLU 72 CO 0.07 -0.59 -0.05 1.52 -0.54 0.00 0.00 175.26 175.67 1puq s TYR 73 N 1.28 0.40 -0.16 5.30 1.13 -0.97 -5.03 117.35 119.30 1puq s TYR 73 Ca -0.07 -0.50 0.01 0.00 -1.41 0.00 0.00 57.07 55.11 1puq s TYR 73 Cb -0.19 -0.26 0.02 0.00 -1.10 0.00 0.00 41.96 40.42 1puq s TYR 73 CO -0.06 -0.14 -0.19 -1.83 -2.51 0.00 0.00 175.55 170.81 1puq s GLU 74 N -1.44 2.83 0.58 -3.49 -1.05 -1.26 -1.40 118.70 113.47 1puq s GLU 74 Ca -0.13 -0.78 -0.07 0.00 -0.15 0.00 0.00 54.97 53.84 1puq s GLU 74 Cb -0.10 -2.40 -0.01 0.00 -0.44 0.00 0.00 34.13 31.19 1puq s GLU 74 CO -0.00 -0.14 0.91 -0.06 0.95 0.00 0.00 175.26 176.92 1puq s PHE 75 N 1.13 3.39 -0.65 4.83 0.40 0.35 -4.88 117.98 122.56 1puq s PHE 75 Ca -0.00 0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 57.00 1puq s PHE 75 Cb -0.14 -2.66 -0.15 0.00 0.51 0.00 0.00 43.02 40.58 1puq s PHE 75 CO -0.08 -0.70 1.74 -0.35 0.70 0.00 0.00 175.22 176.52 1puq n PRO 76 N -2.57 0.10 -0.52 0.24 -0.04 -1.26 0.63 135.00 131.58 1puq n PRO 76 Ca 0.04 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1puq n PRO 76 Cb 0.56 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1puq n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1puq n ASP 77 N 12.91 -1.56 -3.55 3.54 8.00 -1.26 -5.02 116.55 129.59 1puq n ASP 77 Ca 0.29 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.50 1puq n ASP 77 Cb 0.45 -0.26 -0.13 0.00 -0.02 0.00 0.00 41.12 41.15 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1puq s ARG 78 N -0.64 0.59 -0.46 -1.24 3.52 0.20 -0.89 118.95 120.04 1puq s ARG 78 Ca 0.00 -1.20 -0.28 0.00 -0.13 0.00 0.00 55.73 54.12 1puq s ARG 78 Cb 0.00 -1.51 0.03 0.00 -1.56 0.00 0.00 34.95 31.91 1puq s ARG 78 CO 0.00 -1.13 1.07 -1.58 -0.81 0.00 0.00 175.30 172.85 1puq s HIS 79 N 1.28 2.88 -0.22 5.12 2.46 0.15 0.13 115.29 127.09 1puq s HIS 79 Ca 0.15 0.67 -0.03 0.00 0.47 0.00 0.00 55.06 56.32 1puq s HIS 79 Cb -0.21 -4.23 0.01 0.00 -0.13 0.00 0.00 32.58 28.02 1puq s HIS 79 CO -0.12 -1.17 -0.07 -1.50 -2.47 0.00 0.00 174.74 169.41 1puq s ILE 80 N 4.18 3.04 -0.23 0.89 1.10 -0.49 1.00 121.20 130.68 1puq s ILE 80 Ca 0.45 -0.72 -0.04 0.00 -0.51 0.00 0.00 60.65 59.83 1puq s ILE 80 Cb -0.08 -2.42 -0.00 0.00 0.15 0.00 0.00 42.46 40.10 1puq s ILE 80 CO 0.29 0.37 -0.03 -0.89 -2.11 0.00 0.00 174.94 172.57 1puq s THR 81 N 1.41 3.41 -0.21 4.00 2.01 -0.83 -2.28 115.64 123.14 1puq s THR 81 Ca 0.04 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1puq s THR 81 Cb -0.15 -2.60 0.04 0.00 0.01 0.00 0.00 72.50 69.80 1puq s THR 81 CO -0.05 0.35 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.35 1puq s LEU 82 N 1.47 2.59 -0.23 4.42 1.43 0.45 0.19 118.68 128.99 1puq s LEU 82 Ca 0.05 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1puq s LEU 82 Cb -0.15 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1puq s LEU 82 CO -0.03 -0.13 0.04 0.26 0.23 0.00 0.00 176.35 176.73 1puq s TRP 83 N 1.29 3.08 -0.34 0.29 0.52 0.19 0.32 118.94 124.29 1puq s TRP 83 Ca -0.02 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.57 1puq s TRP 83 Cb -0.17 -2.17 0.01 0.00 -1.15 0.00 0.00 33.47 29.99 1puq s TRP 83 CO -0.08 -0.29 0.19 -0.06 0.02 0.00 0.00 176.95 176.73 1puq s PHE 84 N 1.31 3.21 0.13 -1.98 0.40 0.44 0.39 117.98 121.88 1puq s PHE 84 Ca 0.05 -0.73 -0.07 0.00 -0.60 0.00 0.00 56.93 55.58 1puq s PHE 84 Cb -0.15 -2.41 -0.06 0.00 0.51 0.00 0.00 43.02 40.92 1puq s PHE 84 CO 0.02 -0.54 0.40 -1.58 0.70 0.00 0.00 175.22 174.22 1puq s TRP 85 N 1.60 3.50 -0.50 0.36 0.52 0.31 -0.82 118.94 123.90 1puq s TRP 85 Ca 0.04 0.65 -0.16 0.00 0.02 0.00 0.00 56.10 56.65 1puq s TRP 85 Cb -0.18 -2.07 0.10 0.00 -1.15 0.00 0.00 33.47 30.16 1puq s TRP 85 CO 0.07 0.44 0.45 -1.17 0.02 0.00 0.00 176.95 176.75 1puq s LEU 86 N -2.47 5.84 0.34 2.99 2.96 -0.48 -2.59 118.68 125.26 1puq s LEU 86 Ca 0.40 -1.51 -0.24 0.00 -0.22 0.00 0.00 54.13 52.56 1puq s LEU 86 Cb -0.12 -2.20 -0.10 0.00 0.50 0.00 0.00 46.19 44.27 1puq s LEU 86 CO 0.22 -0.74 0.91 -0.69 -1.32 0.00 0.00 176.35 174.74 1puq s VAL 87 N 1.65 4.31 -0.04 1.68 1.01 -1.10 -3.46 120.40 124.46 1puq s VAL 87 Ca 0.04 1.65 0.06 0.00 0.00 0.00 0.00 61.98 63.73 1puq s VAL 87 Cb -0.27 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1puq s VAL 87 CO 0.05 0.02 0.07 -0.62 0.00 0.00 0.00 175.10 174.62 1puq n GLU 88 N 0.23 1.93 -3.53 2.72 1.02 -1.11 -3.76 120.64 118.14 1puq n GLU 88 Ca 0.03 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1puq n GLU 88 Cb 0.51 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.27 1.20 -0.24 3.49 6.06 0.66 -4.59 118.95 123.26 1puq s ARG 89 Ca -0.03 -0.50 -0.10 0.00 -2.50 0.00 0.00 55.73 52.60 1puq s ARG 89 Cb 0.03 0.52 0.09 0.00 0.06 0.00 0.00 34.95 35.65 1puq s ARG 89 CO 0.27 -0.53 0.54 1.67 -2.50 0.00 0.00 175.30 174.74 1puq s TRP 90 N -3.55 -0.96 0.30 5.12 -2.14 -1.19 -1.38 118.94 115.14 1puq s TRP 90 Ca 0.04 1.83 -0.29 0.00 2.66 0.00 0.00 56.10 60.34 1puq s TRP 90 Cb -0.02 0.51 -0.10 0.00 -3.10 0.00 0.00 33.47 30.76 1puq s TRP 90 CO -0.08 -0.51 1.13 -1.21 -2.66 0.00 0.00 176.95 173.62 1puq s GLU 91 N 2.22 4.56 6.93 3.25 2.02 -1.19 -4.76 118.70 131.73 1puq s GLU 91 Ca -0.06 1.86 0.00 0.00 0.02 0.00 0.00 54.97 56.79 1puq s GLU 91 Cb -0.10 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1puq s GLU 91 CO -0.16 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1puq n GLY 92 N 1.08 4.00 3.05 -1.39 0.00 -1.26 -4.57 105.19 106.10 1puq n GLY 92 Ca -0.01 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 0.74 0.02 1.61 2.12 -1.26 -5.11 118.70 116.82 1puq s GLU 93 Ca 0.00 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1puq s GLU 93 Cb 0.00 -0.70 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 1puq s GLU 93 CO 0.00 0.19 1.15 -2.14 -0.54 0.00 0.00 175.26 173.91 1puq s PRO 94 N -0.53 4.44 0.09 4.30 0.02 -1.26 -4.65 135.00 137.41 1puq s PRO 94 Ca 0.02 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1puq s PRO 94 Cb -0.05 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1puq s PRO 94 CO 0.00 -0.26 0.00 -2.67 -0.33 0.00 0.00 177.00 173.74 1puq n TRP 95 N 4.23 -0.44 0.00 6.54 4.27 0.12 -4.91 117.44 127.25 1puq n TRP 95 Ca 0.09 0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.78 1puq n TRP 95 Cb 0.47 0.17 0.00 0.00 -1.36 0.00 0.00 31.31 30.60 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 2.88 0.55 0.00 -1.67 0.00 -0.20 -3.75 105.19 102.99 1puq n GLY 96 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1puq n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1puq n LYS 97 N 0.00 0.00 -0.21 1.61 5.02 0.11 -4.69 118.16 119.99 1puq n LYS 97 Ca 0.00 0.00 0.30 0.00 -2.02 0.00 0.00 58.31 56.59 1puq n LYS 97 Cb 0.00 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 35.74 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1puq h GLU 98 N 0.00 0.00 0.00 1.97 -0.00 -1.75 -3.46 114.58 111.35 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 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 1puq n GLY 99 N -1.73 1.11 2.58 1.06 0.00 -1.26 -4.98 105.19 101.97 1puq n GLY 99 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1puq n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1puq s GLN 100 N -0.02 0.11 0.42 1.61 -0.44 -1.26 -5.13 119.66 114.94 1puq s GLN 100 Ca 0.00 -0.26 -0.22 0.00 -2.50 0.00 0.00 55.36 52.39 1puq s GLN 100 Cb 0.00 -1.56 -0.14 0.00 -1.64 0.00 0.00 33.01 29.67 1puq s GLN 100 CO 0.00 -0.81 0.34 -2.30 0.50 0.00 0.00 175.29 173.02 1puq n PRO 101 N 5.27 0.30 -4.41 1.67 -0.02 -1.26 -4.38 135.00 132.17 1puq n PRO 101 Ca -0.07 0.11 -0.22 0.00 -2.02 0.00 0.00 63.50 61.30 1puq n PRO 101 Cb 0.46 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.57 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 2.40 0.12 -1.23 0.00 -1.26 -3.79 107.32 102.57 1puq s GLY 102 Ca 0.62 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1puq s GLY 102 CO 0.60 -1.68 -0.10 -1.83 0.00 0.00 0.00 173.10 170.08 1puq s GLU 103 N -3.68 0.95 -0.44 2.90 4.04 -1.23 -4.89 118.70 116.35 1puq s GLU 103 Ca 0.31 -1.29 -0.28 0.00 0.04 0.00 0.00 54.97 53.75 1puq s GLU 103 Cb 0.03 -0.58 -0.02 0.00 0.02 0.00 0.00 34.13 33.58 1puq s GLU 103 CO 0.18 0.08 1.82 -1.58 -1.84 0.00 0.00 175.26 173.93 1puq s TRP 104 N -2.84 1.76 0.32 4.83 0.51 -1.26 -3.24 118.94 119.01 1puq s TRP 104 Ca 0.11 0.72 0.10 0.00 -2.12 0.00 0.00 56.10 54.91 1puq s TRP 104 Cb -0.00 -4.10 -0.06 0.00 -0.81 0.00 0.00 33.47 28.50 1puq s TRP 104 CO 0.00 -2.65 -0.13 0.00 -0.51 0.00 0.00 176.95 173.66 1puq s MET 105 N 6.21 1.75 -0.32 4.98 0.23 0.68 -4.84 119.30 128.00 1puq s MET 105 Ca 0.75 -1.87 -0.29 0.00 -1.03 0.00 0.00 55.69 53.25 1puq s MET 105 Cb -0.18 -1.68 0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1puq s MET 105 CO 0.29 0.19 1.23 0.45 -2.03 0.00 0.00 175.02 175.15 1puq s SER 106 N -3.56 6.74 0.47 -1.18 0.15 -1.26 0.17 113.70 115.23 1puq s SER 106 Ca 0.31 1.10 0.30 0.00 0.70 0.00 0.00 55.95 58.37 1puq s SER 106 Cb 0.00 -2.54 1.18 0.00 -1.71 0.00 0.00 66.02 62.95 1puq s SER 106 CO 0.16 -1.04 1.89 0.25 1.20 0.00 0.00 173.24 175.69 1puq h LEU 107 N 10.69 0.00 -0.98 3.45 7.12 -1.83 -3.00 115.31 130.76 1puq h LEU 107 Ca -0.24 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.77 1puq h LEU 107 Cb 1.08 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1puq h LEU 107 CO 1.04 0.00 0.07 0.55 -0.13 0.00 0.00 178.44 179.97 1puq n VAL 108 N -2.89 1.15 -2.93 1.05 3.14 -1.26 -2.49 118.33 114.10 1puq n VAL 108 Ca 0.01 0.68 -0.14 0.00 -2.96 0.00 0.00 64.34 61.94 1puq n VAL 108 Cb 0.32 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.42 1puq n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1puq n GLY 109 N -1.33 2.55 3.74 7.55 0.00 -1.13 -5.00 105.19 111.56 1puq n GLY 109 Ca -0.01 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.76 3.57 -0.59 0.99 0.20 -1.04 -4.96 118.68 114.09 1puq s LEU 110 Ca 0.33 2.52 -0.19 0.00 0.69 0.00 0.00 54.13 57.49 1puq s LEU 110 Cb 0.40 -4.61 0.11 0.00 -0.43 0.00 0.00 46.19 41.66 1puq s LEU 110 CO -0.02 -1.93 0.69 0.21 -0.29 0.00 0.00 176.35 175.01 1puq s ASN 111 N -1.53 6.18 0.50 3.68 3.84 -1.26 -4.88 114.94 121.48 1puq s ASN 111 Ca 0.80 -1.46 0.29 0.00 0.21 0.00 0.00 52.86 52.70 1puq s ASN 111 Cb -0.34 -2.29 1.07 0.00 -0.55 0.00 0.00 41.25 39.13 1puq s ASN 111 CO 0.38 -1.09 1.88 0.00 -2.79 0.00 0.00 177.10 175.48 1puq h ALA 112 N 9.16 1.00 0.09 1.71 0.00 -1.92 -2.51 119.26 126.79 1puq h ALA 112 Ca -0.29 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1puq h ALA 112 Cb 1.09 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.89 1puq h ALA 112 CO 1.10 0.07 -0.67 0.22 0.00 0.00 0.00 179.25 179.97 1puq h ASP 113 N 0.00 0.42 -0.52 0.00 1.82 -1.93 -3.35 116.42 112.87 1puq h ASP 113 Ca -0.00 -0.91 -0.10 0.00 -0.39 0.00 0.00 57.03 55.63 1puq h ASP 113 Cb 0.66 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 1puq h ASP 113 CO 0.01 1.30 -0.06 0.44 -1.61 0.00 0.00 179.24 179.32 1puq h ASP 114 N -0.39 0.95 -4.21 2.28 5.19 -1.87 -3.45 116.42 114.93 1puq h ASP 114 Ca -0.11 -0.33 -0.45 0.00 -0.62 0.00 0.00 57.03 55.51 1puq h ASP 114 Cb 1.49 -0.26 0.14 0.00 0.18 0.00 0.00 39.33 40.88 1puq h ASP 114 CO 0.13 1.06 0.38 0.72 -3.12 0.00 0.00 179.24 178.40 1puq s PHE 115 N -4.92 2.08 0.08 4.55 -0.71 -0.95 -3.67 117.98 114.44 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 0.12 -3.75 -0.14 0.00 -1.21 0.00 0.00 43.02 38.04 1puq s PHE 115 CO 0.84 -2.43 1.62 -0.35 -1.34 0.00 0.00 175.22 173.56 1puq n PRO 116 N -3.71 1.99 0.03 1.99 -0.04 -1.26 -4.89 135.00 129.11 1puq n PRO 116 Ca 0.11 0.72 -0.05 0.00 -0.04 0.00 0.00 63.50 64.24 1puq n PRO 116 Cb 0.60 -2.48 0.15 0.00 -0.04 0.00 0.00 33.50 31.72 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 6.48 0.45 0.00 0.54 0.13 -1.86 -2.68 132.00 135.06 1puq h PRO 117 Ca -0.46 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 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 0.78 0.00 0.00 -0.23 0.00 0.00 178.00 179.44 1puq n ALA 118 N -2.49 1.85 -0.96 -0.56 0.00 -1.26 -2.31 120.51 114.78 1puq n ALA 118 Ca -0.02 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1puq n ALA 118 Cb 0.50 -1.29 0.35 0.00 0.00 0.00 0.00 19.45 19.01 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 5.11 0.13 0.00 3.02 -1.01 -4.57 115.26 116.46 1puq n ASN 119 Ca 0.05 -3.00 -0.01 0.00 -0.03 0.00 0.00 54.58 51.58 1puq n ASN 119 Cb 0.21 -0.65 0.22 0.00 -0.61 0.00 0.00 39.78 38.94 1puq n ASN 119 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1puq h GLU 120 N 3.22 0.11 -1.13 3.52 4.11 -1.56 -3.30 114.58 119.55 1puq h GLU 120 Ca 0.03 -0.06 0.37 0.00 0.07 0.00 0.00 59.36 59.76 1puq h GLU 120 Cb 1.87 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.99 1puq h GLU 120 CO 0.44 0.59 0.69 -1.35 0.07 0.00 0.00 179.01 179.46 1puq h PRO 121 N 0.09 0.21 0.01 1.06 0.11 -1.85 1.86 132.00 133.48 1puq h PRO 121 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1puq h PRO 121 Cb 0.93 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1puq h PRO 121 CO 0.07 0.14 -0.01 0.28 -0.21 0.00 0.00 178.00 178.27 1puq h VAL 122 N 0.21 1.54 -0.00 3.15 2.07 -1.95 -3.32 116.25 117.94 1puq h VAL 122 Ca 0.76 -1.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 1puq h VAL 122 Cb 2.05 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 34.63 1puq h VAL 122 CO -0.50 0.49 -0.31 0.40 0.02 0.00 0.00 177.57 177.67 1puq h ILE 123 N -0.91 1.22 -0.51 4.57 1.08 -1.21 -2.49 117.51 119.27 1puq h ILE 123 Ca -0.00 -1.06 0.15 0.00 -0.39 0.00 0.00 64.86 63.55 1puq h ILE 123 Cb 0.81 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 1puq h ILE 123 CO 0.00 0.30 0.36 0.00 -0.69 0.00 0.00 178.15 178.13 1puq h ALA 124 N 1.69 2.48 0.01 1.87 0.00 0.27 1.79 119.26 127.37 1puq h ALA 124 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1puq h ALA 124 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1puq h ALA 124 CO 0.04 -0.62 -0.00 0.87 0.00 0.00 0.00 179.25 179.53 1puq h LYS 125 N 0.00 -0.01 0.00 0.00 1.79 -1.57 -3.09 116.57 113.69 1puq h LYS 125 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1puq h LYS 125 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1puq h LYS 125 CO -0.00 0.83 0.00 1.25 -1.08 0.00 0.00 179.45 180.45 1puq h LEU 126 N -0.92 0.00 -0.07 2.94 7.12 -1.39 -3.27 115.31 119.72 1puq h LEU 126 Ca -0.00 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.83 1puq h LEU 126 Cb 0.85 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.99 1puq h LEU 126 CO 0.00 0.00 -0.66 0.50 -0.13 0.00 0.00 178.44 178.15 1puq h LYS 127 N 0.00 0.57 0.00 1.25 3.64 0.26 -2.86 116.57 119.43 1puq h LYS 127 Ca 0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1puq h LYS 127 Cb 0.92 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1puq h LYS 127 CO 0.00 1.14 0.00 -2.13 -2.27 0.00 0.00 179.45 176.19 1puq n ARG 128 N -4.12 0.00 0.00 1.90 0.63 -1.17 -5.02 116.66 108.88 1puq n ARG 128 Ca -0.09 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1puq n ARG 128 Cb 0.69 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1puq n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59