#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwq n GLN -1 N 0.00 0.23 -3.88 -1.08 7.27 -1.26 -4.85 117.38 113.81 2pwq n GLN -1 Ca 0.00 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.15 2pwq n GLN -1 Cb 0.00 -1.16 0.00 0.00 2.41 0.00 0.00 30.24 31.49 2pwq n GLN -1 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pwq n GLY 0 N 1.96 -0.91 3.49 1.69 0.00 -1.26 -5.06 105.19 105.10 2pwq n GLY 0 Ca 0.15 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2pwq n GLY 0 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pwq n SER 1 N 1.24 -1.33 -0.37 1.61 3.41 -1.26 -4.69 113.62 112.22 2pwq n SER 1 Ca 0.00 0.03 0.02 0.00 -0.26 0.00 0.00 58.87 58.66 2pwq n SER 1 Cb 0.00 -1.27 0.17 0.00 -0.26 0.00 0.00 64.21 62.85 2pwq n SER 1 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2pwq h LYS 2 N -2.33 1.14 -0.31 4.33 2.10 -1.99 -0.96 116.57 118.55 2pwq h LYS 2 Ca -0.54 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.01 2pwq h LYS 2 Cb 1.32 -0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 2pwq h LYS 2 CO 0.44 0.75 0.11 0.93 -2.00 0.00 0.00 179.45 179.69 2pwq h GLU 3 N 1.17 0.48 -0.59 0.07 3.07 -1.92 -1.97 114.58 114.91 2pwq h GLU 3 Ca 0.43 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 2pwq h GLU 3 Cb 0.16 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 2pwq h GLU 3 CO -0.17 0.51 0.24 1.25 -1.40 0.00 0.00 179.01 179.44 2pwq h LEU 4 N 0.35 0.80 -0.76 1.33 5.85 -1.80 -0.49 115.31 120.59 2pwq h LEU 4 Ca 0.10 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2pwq h LEU 4 Cb 0.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2pwq h LEU 4 CO -0.01 0.75 0.41 -0.07 -0.34 0.00 0.00 178.44 179.18 2pwq h LEU 5 N 0.81 0.95 0.22 2.25 3.38 -1.15 -1.04 115.31 120.74 2pwq h LEU 5 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2pwq h LEU 5 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2pwq h LEU 5 CO -0.02 0.78 -0.11 -0.09 0.09 0.00 0.00 178.44 179.10 2pwq h ARG 6 N 1.05 -0.29 -0.88 1.13 9.65 -1.01 -1.10 114.38 122.93 2pwq h ARG 6 Ca 0.27 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.25 2pwq h ARG 6 Cb 0.05 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 2pwq h ARG 6 CO -0.04 -0.15 0.57 -0.07 2.80 0.00 0.00 179.97 183.08 2pwq h LEU 7 N -0.36 0.82 -0.56 3.80 3.38 -1.00 -1.19 115.31 120.20 2pwq h LEU 7 Ca -0.03 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2pwq h LEU 7 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2pwq h LEU 7 CO 0.05 0.51 0.05 1.56 0.09 0.00 0.00 178.44 180.70 2pwq h GLN 8 N 0.92 0.95 -0.15 1.13 4.20 -0.72 -1.98 115.11 119.46 2pwq h GLN 8 Ca 0.39 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2pwq h GLN 8 Cb 0.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2pwq h GLN 8 CO -0.16 0.93 0.06 -0.22 -0.67 0.00 0.00 178.83 178.78 2pwq h LYS 9 N 0.84 0.23 -0.51 1.46 3.64 -0.80 -2.03 116.57 119.40 2pwq h LYS 9 Ca 0.17 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 2pwq h LYS 9 Cb 0.47 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 2pwq h LYS 9 CO 0.02 0.32 0.05 0.93 -2.27 0.00 0.00 179.45 178.50 2pwq h GLU 10 N 0.08 0.16 -0.48 1.90 5.08 -1.06 -0.69 114.58 119.58 2pwq h GLU 10 Ca 0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2pwq h GLU 10 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2pwq h GLU 10 CO -0.00 0.11 0.17 -0.07 -1.00 0.00 0.00 179.01 178.22 2pwq h LEU 11 N 0.17 0.68 -1.00 1.33 3.38 -1.31 -0.49 115.31 118.07 2pwq h LEU 11 Ca 0.26 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2pwq h LEU 11 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2pwq h LEU 11 CO -0.39 0.68 0.22 0.11 0.09 0.00 0.00 178.44 179.15 2pwq h LYS 12 N 0.64 0.94 -0.31 1.13 1.79 -0.92 -0.95 116.57 118.88 2pwq h LYS 12 Ca 0.16 -0.17 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 2pwq h LYS 12 Cb 0.23 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2pwq h LYS 12 CO -0.01 0.79 -0.31 -0.44 -1.08 0.00 0.00 179.45 178.40 2pwq h ASP 13 N 0.92 0.82 -0.54 0.86 3.32 -0.73 -1.06 116.42 120.00 2pwq h ASP 13 Ca 0.21 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.80 2pwq h ASP 13 Cb 0.23 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2pwq h ASP 13 CO -0.01 1.12 0.35 0.40 -1.72 0.00 0.00 179.24 179.37 2pwq h ILE 14 N 0.53 1.11 -0.07 0.35 2.04 -0.98 0.28 117.51 120.77 2pwq h ILE 14 Ca 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2pwq h ILE 14 Cb 0.89 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2pwq h ILE 14 CO 0.08 0.13 0.00 -0.08 0.00 0.00 0.00 178.15 178.28 2pwq h GLU 15 N 0.70 0.10 0.00 2.37 4.81 -0.93 -2.47 114.58 119.17 2pwq h GLU 15 Ca 0.20 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 2pwq h GLU 15 Cb -0.05 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2pwq h GLU 15 CO -0.06 0.11 -1.05 -0.91 -0.73 0.00 0.00 179.01 176.36 2pwq h ASN 16 N 0.10 0.00 -0.98 1.04 2.35 0.25 -3.46 115.58 114.87 2pwq h ASN 16 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2pwq h ASN 16 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2pwq h ASN 16 CO 0.00 0.45 0.00 -0.62 -1.65 0.00 0.00 177.43 175.61 2pwq n GLU 17 N -2.96 0.21 -2.62 0.81 -0.58 0.84 -4.95 120.64 111.38 2pwq n GLU 17 Ca -0.05 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.28 2pwq n GLU 17 Cb 0.76 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.60 2pwq n GLU 17 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2pwq s ASN 18 N -1.22 6.44 0.00 1.62 2.47 -1.26 -4.83 114.94 118.16 2pwq s ASN 18 Ca 0.00 -1.32 0.27 0.00 0.42 0.00 0.00 52.86 52.23 2pwq s ASN 18 Cb 0.00 -2.54 1.35 0.00 -1.45 0.00 0.00 41.25 38.61 2pwq s ASN 18 CO 0.00 -1.51 1.93 1.33 -3.72 0.00 0.00 177.10 175.12 2pwq n VAL 19 N 6.57 0.12 0.17 -5.21 0.24 -1.25 -1.95 118.33 117.02 2pwq n VAL 19 Ca 0.24 0.03 0.04 0.00 -2.04 0.00 0.00 64.34 62.62 2pwq n VAL 19 Cb 0.50 -0.58 0.21 0.00 -1.47 0.00 0.00 33.84 32.51 2pwq n VAL 19 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2pwq h GLN 20 N 0.00 0.00 0.00 7.34 1.08 -1.96 -3.36 115.11 118.21 2pwq h GLN 20 Ca 0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 2pwq h GLN 20 Cb 0.28 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 2pwq h GLN 20 CO 0.00 0.43 -1.52 0.39 -0.95 0.00 0.00 178.83 177.18 2pwq n GLU 21 N -3.39 0.55 -3.78 1.46 -0.58 -0.82 -4.47 120.64 109.62 2pwq n GLU 21 Ca 0.01 0.44 -0.18 0.00 -0.42 0.00 0.00 57.16 57.00 2pwq n GLU 21 Cb 0.60 -1.63 -0.17 0.00 -0.57 0.00 0.00 31.44 29.67 2pwq n GLU 21 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2pwq s ILE 22 N -2.44 0.04 0.15 -3.67 -1.09 -0.91 -1.35 121.20 111.93 2pwq s ILE 22 Ca -0.30 0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.39 2pwq s ILE 22 Cb 0.08 -0.22 -0.04 0.00 -1.58 0.00 0.00 42.46 40.70 2pwq s ILE 22 CO 0.49 0.16 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.70 2pwq s ASP 23 N 1.58 1.32 -0.21 3.58 -1.08 -0.67 -3.85 116.67 117.36 2pwq s ASP 23 Ca -0.02 -1.10 -0.27 0.00 -0.52 0.00 0.00 52.55 50.64 2pwq s ASP 23 Cb -0.13 0.08 0.09 0.00 -1.46 0.00 0.00 42.92 41.51 2pwq s ASP 23 CO -0.03 -0.50 0.83 0.00 0.52 0.00 0.00 175.17 175.99 2pwq s ALA 24 N -3.58 -1.85 0.21 3.66 0.00 -1.26 -1.01 121.76 117.93 2pwq s ALA 24 Ca 0.19 1.76 -0.06 0.00 0.00 0.00 0.00 51.96 53.85 2pwq s ALA 24 Cb 0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 2pwq s ALA 24 CO 0.01 -0.32 0.27 -3.38 0.00 0.00 0.00 175.76 172.34 2pwq s HIS 25 N -0.24 0.75 0.32 0.00 -3.43 -0.88 -4.88 115.29 106.92 2pwq s HIS 25 Ca -0.02 -1.05 -0.29 0.00 -0.80 0.00 0.00 55.06 52.90 2pwq s HIS 25 Cb -0.03 -0.22 -0.11 0.00 -1.43 0.00 0.00 32.58 30.79 2pwq s HIS 25 CO 0.01 -0.76 1.43 0.42 -2.00 0.00 0.00 174.74 173.84 2pwq s ILE 26 N -4.07 2.44 0.01 -5.38 -1.09 -1.26 -1.78 121.20 110.06 2pwq s ILE 26 Ca 0.29 0.41 -0.27 0.00 -2.23 0.00 0.00 60.65 58.85 2pwq s ILE 26 Cb 0.04 -3.26 -0.15 0.00 -1.58 0.00 0.00 42.46 37.51 2pwq s ILE 26 CO 0.08 0.09 1.14 0.50 -1.23 0.00 0.00 174.94 175.52 2pwq h LYS 27 N 3.90 -0.85 0.00 2.79 3.64 -1.64 -3.44 116.57 120.98 2pwq h LYS 27 Ca -0.48 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2pwq h LYS 27 Cb 1.23 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2pwq h LYS 27 CO 0.70 -0.54 0.00 -0.25 -2.27 0.00 0.00 179.45 177.09 2pwq n ASP 28 N -5.37 0.00 0.00 4.20 8.00 -1.26 -5.01 116.55 117.11 2pwq n ASP 28 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2pwq n ASP 28 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 2pwq n ASP 28 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pwq n SER 29 N 0.00 0.94 -4.37 -2.24 7.64 -1.26 -4.97 113.62 109.35 2pwq n SER 29 Ca 0.00 -1.09 -0.38 0.00 1.01 0.00 0.00 58.87 58.41 2pwq n SER 29 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 2pwq n SER 29 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2pwq s ASN 30 N -0.09 5.30 0.15 6.43 3.84 -1.26 -4.97 114.94 124.33 2pwq s ASN 30 Ca 0.00 -0.68 0.15 0.00 0.21 0.00 0.00 52.86 52.54 2pwq s ASN 30 Cb 0.00 -1.93 0.71 0.00 -0.55 0.00 0.00 41.25 39.48 2pwq s ASN 30 CO 0.00 -0.21 1.47 0.33 -2.79 0.00 0.00 177.10 175.90 2pwq n PHE 31 N 4.91 0.40 -0.35 0.43 -0.00 -1.26 -1.73 117.46 119.87 2pwq n PHE 31 Ca -0.14 0.18 0.11 0.00 -0.00 0.00 0.00 57.45 57.60 2pwq n PHE 31 Cb 0.48 -0.79 0.33 0.00 -0.00 0.00 0.00 39.48 39.49 2pwq n PHE 31 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2pwq n PHE 32 N -1.89 1.11 -3.67 -5.13 3.72 -1.26 -4.79 117.46 105.55 2pwq n PHE 32 Ca 0.01 -0.51 -0.26 0.00 -0.05 0.00 0.00 57.45 56.64 2pwq n PHE 32 Cb 0.11 -0.07 -0.17 0.00 -0.94 0.00 0.00 39.48 38.41 2pwq n PHE 32 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2pwq s GLU 33 N -1.29 0.30 0.33 -1.08 2.56 -0.71 -0.36 118.70 118.45 2pwq s GLU 33 Ca 0.48 -0.16 0.09 0.00 0.00 0.00 0.00 54.97 55.39 2pwq s GLU 33 Cb 0.27 -1.78 -0.05 0.00 2.00 0.00 0.00 34.13 34.56 2pwq s GLU 33 CO 0.30 -0.61 -0.02 -1.58 -0.56 0.00 0.00 175.26 172.79 2pwq s TRP 34 N 2.03 2.52 -0.16 5.30 0.51 0.04 -1.95 118.94 127.23 2pwq s TRP 34 Ca 0.01 -0.42 -0.04 0.00 -2.12 0.00 0.00 56.10 53.53 2pwq s TRP 34 Cb -0.16 -1.42 -0.03 0.00 -0.81 0.00 0.00 33.47 31.06 2pwq s TRP 34 CO -0.08 0.52 -0.03 0.08 -0.51 0.00 0.00 176.95 176.93 2pwq s VAL 35 N -2.52 3.89 0.19 4.03 1.01 -0.74 -0.58 120.40 125.69 2pwq s VAL 35 Ca 0.34 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2pwq s VAL 35 Cb -0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2pwq s VAL 35 CO 0.19 0.48 0.12 -0.83 0.00 0.00 0.00 175.10 175.06 2pwq s GLY 36 N 0.46 1.64 -0.21 4.51 0.00 -0.24 -2.08 107.32 111.41 2pwq s GLY 36 Ca -0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 2pwq s GLY 36 CO 0.03 -1.34 0.03 -1.36 0.00 0.00 0.00 173.10 170.47 2pwq s PHE 37 N -1.87 1.16 -0.18 1.90 0.08 -0.18 -0.15 117.98 118.74 2pwq s PHE 37 Ca 0.31 -0.99 -0.05 0.00 0.12 0.00 0.00 56.93 56.32 2pwq s PHE 37 Cb -0.09 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2pwq s PHE 37 CO 0.23 -0.65 0.01 0.42 -0.10 0.00 0.00 175.22 175.13 2pwq s ILE 38 N 1.81 4.22 0.04 0.64 1.01 0.29 -1.66 121.20 127.54 2pwq s ILE 38 Ca -0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 2pwq s ILE 38 Cb -0.17 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2pwq s ILE 38 CO -0.10 0.45 1.19 -0.75 0.00 0.00 0.00 174.94 175.74 2pwq s LYS 39 N 0.63 4.42 0.06 2.79 2.20 -0.46 -1.34 119.74 128.05 2pwq s LYS 39 Ca 0.00 1.74 -0.31 0.00 -0.36 0.00 0.00 55.97 57.05 2pwq s LYS 39 Cb -0.14 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 2pwq s LYS 39 CO 0.02 -0.28 1.66 0.20 -0.36 0.00 0.00 175.35 176.59 2pwq s GLY 40 N 1.15 1.55 0.33 5.54 0.00 -0.53 -4.95 107.32 110.41 2pwq s GLY 40 Ca 0.58 1.19 -0.29 0.00 0.00 0.00 0.00 44.72 46.20 2pwq s GLY 40 CO 0.28 2.92 1.42 -4.14 0.00 0.00 0.00 173.10 173.58 2pwq s PRO 41 N 2.81 4.23 0.77 2.90 0.02 -1.26 -4.06 135.00 140.40 2pwq s PRO 41 Ca 0.74 2.39 -0.15 0.00 0.02 0.00 0.00 61.00 64.01 2pwq s PRO 41 Cb -0.39 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.13 2pwq s PRO 41 CO 0.32 -0.39 1.05 0.39 -0.33 0.00 0.00 177.00 178.04 2pwq n GLU 42 N 1.01 0.35 -2.91 5.54 -0.58 -1.26 -2.73 120.64 120.06 2pwq n GLU 42 Ca 0.02 0.18 -0.19 0.00 -0.42 0.00 0.00 57.16 56.76 2pwq n GLU 42 Cb 0.40 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 2pwq n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pwq n GLY 43 N 0.88 -0.50 3.37 0.62 0.00 -1.26 -4.97 105.19 103.34 2pwq n GLY 43 Ca 0.13 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 2pwq n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwq s THR 44 N -2.84 0.82 -1.90 2.61 -4.23 -1.10 -5.01 115.64 103.98 2pwq s THR 44 Ca 0.21 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.86 2pwq s THR 44 Cb -0.11 -2.70 0.37 0.00 1.34 0.00 0.00 72.50 71.41 2pwq s THR 44 CO 0.26 -0.01 1.28 -0.81 -0.54 0.00 0.00 174.62 174.80 2pwq n PRO 45 N -0.55 0.40 -0.30 3.99 -0.04 -1.26 -2.38 135.00 134.86 2pwq n PRO 45 Ca -0.01 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2pwq n PRO 45 Cb 0.66 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.90 2pwq n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pwq n TYR 46 N -1.05 0.79 -2.25 0.54 4.01 -1.26 -3.76 117.16 114.18 2pwq n TYR 46 Ca 0.10 -0.41 -0.41 0.00 -0.16 0.00 0.00 57.90 57.02 2pwq n TYR 46 Cb 0.06 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 2pwq n TYR 46 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2pwq s GLU 47 N -1.17 4.41 0.00 -0.72 2.12 -1.00 -1.54 118.70 120.80 2pwq s GLU 47 Ca 0.44 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.80 2pwq s GLU 47 Cb 0.24 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2pwq s GLU 47 CO 0.32 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2pwq n GLY 48 N 2.22 0.83 3.84 -1.50 0.00 -1.26 -4.96 105.19 104.35 2pwq n GLY 48 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2pwq n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pwq s GLY 49 N -2.00 2.41 -0.22 -0.02 0.00 -0.59 -4.71 107.32 102.19 2pwq s GLY 49 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 2pwq s GLY 49 CO 0.00 0.34 -0.03 0.30 0.00 0.00 0.00 173.10 173.72 2pwq s HIS 50 N -1.87 1.99 -0.22 1.90 3.76 -0.18 -1.45 115.29 119.22 2pwq s HIS 50 Ca 0.52 -1.49 -0.06 0.00 -0.15 0.00 0.00 55.06 53.87 2pwq s HIS 50 Cb -0.12 -1.42 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 2pwq s HIS 50 CO 0.18 -0.73 0.04 -0.06 -0.85 0.00 0.00 174.74 173.32 2pwq s PHE 51 N 1.53 3.08 -0.05 1.40 0.40 -0.45 -4.60 117.98 119.30 2pwq s PHE 51 Ca -0.04 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 2pwq s PHE 51 Cb -0.18 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 2pwq s PHE 51 CO -0.07 -0.27 0.39 0.99 0.70 0.00 0.00 175.22 176.96 2pwq s THR 52 N 1.26 5.12 0.22 0.64 2.01 -1.26 -0.55 115.64 123.07 2pwq s THR 52 Ca 0.04 0.78 0.07 0.00 0.31 0.00 0.00 61.69 62.90 2pwq s THR 52 Cb -0.15 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2pwq s THR 52 CO 0.02 0.52 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.58 2pwq s LEU 53 N -0.60 2.53 -0.19 4.42 1.02 0.79 0.06 118.68 126.71 2pwq s LEU 53 Ca 0.23 -1.05 -0.04 0.00 0.02 0.00 0.00 54.13 53.28 2pwq s LEU 53 Cb -0.16 -0.65 -0.02 0.00 0.02 0.00 0.00 46.19 45.39 2pwq s LEU 53 CO 0.11 -0.21 -0.03 0.00 0.02 0.00 0.00 176.35 176.24 2pwq s ALA 54 N -3.00 2.92 -0.31 4.21 0.00 0.02 -1.07 121.76 124.52 2pwq s ALA 54 Ca 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2pwq s ALA 54 Cb 0.00 -1.66 0.07 0.00 0.00 0.00 0.00 23.12 21.53 2pwq s ALA 54 CO 0.08 -0.13 0.01 0.42 0.00 0.00 0.00 175.76 176.14 2pwq s ILE 55 N 0.96 2.71 -0.29 0.00 1.01 0.25 -2.37 121.20 123.47 2pwq s ILE 55 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 60.65 58.83 2pwq s ILE 55 Cb -0.15 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 2pwq s ILE 55 CO 0.01 -0.27 0.16 0.42 0.00 0.00 0.00 174.94 175.27 2pwq s THR 56 N 1.14 4.91 -0.19 2.92 -4.23 0.00 -0.78 115.64 119.40 2pwq s THR 56 Ca -0.01 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 2pwq s THR 56 Cb -0.20 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.19 2pwq s THR 56 CO -0.04 0.19 0.22 -0.63 -0.54 0.00 0.00 174.62 173.82 2pwq s ILE 57 N 1.69 5.34 0.73 2.99 1.01 0.51 -1.05 121.20 132.42 2pwq s ILE 57 Ca 0.06 0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 2pwq s ILE 57 Cb -0.16 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.78 2pwq s ILE 57 CO 0.08 0.38 1.08 -2.16 0.00 0.00 0.00 174.94 174.33 2pwq s PRO 58 N 0.63 2.58 0.36 2.79 0.04 -1.26 -4.79 135.00 135.35 2pwq s PRO 58 Ca 0.12 1.13 0.27 0.00 0.04 0.00 0.00 61.00 62.56 2pwq s PRO 58 Cb -0.13 -1.94 1.17 0.00 0.04 0.00 0.00 34.50 33.65 2pwq s PRO 58 CO 0.02 -1.39 1.81 -2.95 0.04 0.00 0.00 177.00 174.54 2pwq h ASN 59 N -0.79 0.00 -0.32 6.66 7.08 -1.97 -2.26 115.58 123.97 2pwq h ASN 59 Ca -0.44 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 2pwq h ASN 59 Cb 1.23 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.47 2pwq h ASN 59 CO 0.54 0.00 0.00 -0.90 -2.08 0.00 0.00 177.43 174.99 2pwq n ASP 60 N -2.51 3.30 -4.49 6.14 5.68 -1.26 -4.96 116.55 118.45 2pwq n ASP 60 Ca 0.01 -1.98 -0.47 0.00 -0.50 0.00 0.00 54.79 51.85 2pwq n ASP 60 Cb 0.23 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 2pwq n ASP 60 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pwq n TYR 61 N 1.41 0.33 -0.28 2.11 9.36 -0.85 -1.58 117.16 127.66 2pwq n TYR 61 Ca 0.18 0.86 -0.03 0.00 3.32 0.00 0.00 57.90 62.23 2pwq n TYR 61 Cb 0.59 -2.09 0.21 0.00 -0.63 0.00 0.00 39.34 37.42 2pwq n TYR 61 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2pwq n PRO 62 N 0.97 2.88 0.00 2.98 -0.04 -1.26 -4.58 135.00 135.95 2pwq n PRO 62 Ca 0.15 -1.97 0.12 0.00 -0.04 0.00 0.00 63.50 61.76 2pwq n PRO 62 Cb 0.27 -1.90 0.25 0.00 -0.04 0.00 0.00 33.50 32.08 2pwq n PRO 62 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pwq n TYR 63 N 0.06 0.01 -4.13 0.54 0.53 -0.62 -2.73 117.16 110.83 2pwq n TYR 63 Ca 0.25 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.99 2pwq n TYR 63 Cb 1.00 -0.26 -0.11 0.00 -1.03 0.00 0.00 39.34 38.93 2pwq n TYR 63 CO 0.00 0.00 0.00 -0.80 -1.02 0.00 0.00 176.86 175.04 2pwq s ASN 64 N -3.02 1.27 0.66 7.72 0.02 -1.26 -4.95 114.94 115.38 2pwq s ASN 64 Ca 0.11 -0.68 -0.14 0.00 -1.02 0.00 0.00 52.86 51.13 2pwq s ASN 64 Cb 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 41.25 41.45 2pwq s ASN 64 CO 0.70 -0.21 1.08 -2.16 0.02 0.00 0.00 177.10 176.53 2pwq s PRO 65 N -2.15 2.93 0.75 -0.60 0.04 -1.26 -4.55 135.00 130.16 2pwq s PRO 65 Ca -0.02 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 2pwq s PRO 65 Cb -0.07 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.54 2pwq s PRO 65 CO 0.00 -1.13 1.10 -1.25 0.04 0.00 0.00 177.00 175.76 2pwq s PRO 66 N -4.32 2.35 -0.15 0.56 0.04 -1.26 -4.48 135.00 127.74 2pwq s PRO 66 Ca 0.64 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 2pwq s PRO 66 Cb -0.18 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2pwq s PRO 66 CO 0.43 -1.58 0.18 0.15 0.04 0.00 0.00 177.00 176.22 2pwq s LYS 67 N -4.74 3.86 -0.02 4.56 1.02 -0.21 -4.97 119.74 119.24 2pwq s LYS 67 Ca 0.62 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.54 2pwq s LYS 67 Cb -0.18 -3.31 -0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2pwq s LYS 67 CO 0.53 0.53 -0.08 0.42 -0.92 0.00 0.00 175.35 175.83 2pwq s ILE 68 N -0.32 0.67 0.03 2.17 1.01 -1.26 -0.82 121.20 122.67 2pwq s ILE 68 Ca 0.13 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 2pwq s ILE 68 Cb -0.12 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 2pwq s ILE 68 CO 0.02 0.20 0.12 -1.59 0.00 0.00 0.00 174.94 173.70 2pwq s LYS 69 N 0.02 0.57 0.48 2.79 -2.85 -1.00 -4.45 119.74 115.30 2pwq s LYS 69 Ca -0.00 -0.62 -0.19 0.00 -1.00 0.00 0.00 55.97 54.16 2pwq s LYS 69 Cb -0.06 0.23 -0.09 0.00 -2.06 0.00 0.00 37.83 35.85 2pwq s LYS 69 CO -0.00 -0.14 0.99 -0.06 0.10 0.00 0.00 175.35 176.23 2pwq s PHE 70 N -2.21 3.27 -0.26 1.78 0.40 0.14 -0.80 117.98 120.29 2pwq s PHE 70 Ca -0.08 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.68 2pwq s PHE 70 Cb -0.03 -2.89 -0.11 0.00 0.51 0.00 0.00 43.02 40.50 2pwq s PHE 70 CO -0.02 -0.41 -0.32 0.28 0.70 0.00 0.00 175.22 175.44 2pwq n VAL 71 N -1.11 1.40 -1.83 -0.44 0.31 0.11 -4.42 118.33 112.36 2pwq n VAL 71 Ca 0.07 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.62 2pwq n VAL 71 Cb 0.54 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 2pwq n VAL 71 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2pwq s THR 72 N -2.47 2.22 0.34 2.52 2.01 -0.64 -4.95 115.64 114.68 2pwq s THR 72 Ca -0.36 0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 2pwq s THR 72 Cb 0.13 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.44 2pwq s THR 72 CO 0.46 0.02 1.12 -0.75 -0.69 0.00 0.00 174.62 174.78 2pwq s LYS 73 N -0.00 4.36 -0.20 4.92 2.20 -1.26 -4.89 119.74 124.86 2pwq s LYS 73 Ca 0.65 1.76 -0.20 0.00 -0.36 0.00 0.00 55.97 57.82 2pwq s LYS 73 Cb -0.47 -2.89 0.06 0.00 -1.51 0.00 0.00 37.83 33.02 2pwq s LYS 73 CO 0.42 -0.03 0.57 -1.50 -0.36 0.00 0.00 175.35 174.45 2pwq s ILE 74 N -1.35 0.00 -0.45 5.43 2.07 -1.26 -4.66 121.20 120.99 2pwq s ILE 74 Ca 0.51 -0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.61 2pwq s ILE 74 Cb -0.30 -0.81 0.08 0.00 0.13 0.00 0.00 42.46 41.57 2pwq s ILE 74 CO 0.38 -0.01 0.33 0.86 -1.91 0.00 0.00 174.94 174.59 2pwq s TRP 75 N 0.14 3.30 -0.27 3.50 -0.11 -1.26 -4.29 118.94 119.95 2pwq s TRP 75 Ca -0.01 -1.27 -0.19 0.00 1.22 0.00 0.00 56.10 55.85 2pwq s TRP 75 Cb -0.04 -3.09 0.07 0.00 -1.50 0.00 0.00 33.47 28.91 2pwq s TRP 75 CO 0.02 -0.84 0.67 -1.58 -4.62 0.00 0.00 176.95 170.61 2pwq s HIS 76 N 1.52 -0.92 0.56 5.86 2.46 -1.26 -4.60 115.29 118.92 2pwq s HIS 76 Ca 0.04 1.98 0.31 0.00 0.47 0.00 0.00 55.06 57.85 2pwq s HIS 76 Cb -0.24 0.46 1.84 0.00 -0.13 0.00 0.00 32.58 34.51 2pwq s HIS 76 CO 0.04 -0.45 2.24 -1.00 -2.47 0.00 0.00 174.74 173.10 2pwq h PRO 77 N 6.21 0.00 -0.64 2.88 0.13 -1.88 -2.35 132.00 136.35 2pwq h PRO 77 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2pwq h PRO 77 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2pwq h PRO 77 CO 0.13 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.01 2pwq n ASN 78 N -3.70 4.52 -3.73 1.44 3.02 -1.26 -0.10 115.26 115.45 2pwq n ASN 78 Ca -0.03 -2.51 -0.13 0.00 -0.03 0.00 0.00 54.58 51.88 2pwq n ASN 78 Cb 0.11 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 2pwq n ASN 78 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pwq s ILE 79 N -2.02 -0.06 -0.01 2.41 1.01 -0.88 -4.21 121.20 117.44 2pwq s ILE 79 Ca 0.46 0.16 -0.32 0.00 0.00 0.00 0.00 60.65 60.96 2pwq s ILE 79 Cb 0.31 -0.35 -0.10 0.00 0.01 0.00 0.00 42.46 42.34 2pwq s ILE 79 CO 0.20 0.07 1.95 -0.24 0.00 0.00 0.00 174.94 176.91 2pwq n SER 80 N 4.28 3.90 0.00 3.58 2.88 -0.51 -4.39 113.62 123.36 2pwq n SER 80 Ca -0.25 0.91 0.04 0.00 -1.33 0.00 0.00 58.87 58.24 2pwq n SER 80 Cb 0.52 -1.47 0.17 0.00 -0.75 0.00 0.00 64.21 62.69 2pwq n SER 80 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2pwq n SER 81 N 7.31 0.02 -0.03 -3.46 3.41 -1.26 -1.39 113.62 118.22 2pwq n SER 81 Ca 0.21 0.51 -0.03 0.00 -0.26 0.00 0.00 58.87 59.30 2pwq n SER 81 Cb 0.37 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 2pwq n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwq n GLN 82 N -1.52 3.02 0.00 4.33 6.02 -1.26 -4.69 117.38 123.28 2pwq n GLN 82 Ca 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2pwq n GLN 82 Cb 0.09 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2pwq n GLN 82 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2pwq n THR 83 N -2.22 0.00 -0.94 5.09 -2.24 -1.22 -5.02 114.28 107.73 2pwq n THR 83 Ca -0.09 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2pwq n THR 83 Cb 0.69 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 2pwq n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwq n GLY 84 N 0.87 0.53 3.76 3.38 0.00 -0.49 -4.68 105.19 108.56 2pwq n GLY 84 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2pwq n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwq s ALA 85 N -2.39 2.95 0.12 4.61 0.00 -1.26 0.23 121.76 126.03 2pwq s ALA 85 Ca 0.00 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.21 2pwq s ALA 85 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2pwq s ALA 85 CO 0.00 -1.07 -0.12 0.96 0.00 0.00 0.00 175.76 175.53 2pwq s ILE 86 N -1.37 1.20 -0.36 0.00 -4.36 -1.26 -1.42 121.20 113.63 2pwq s ILE 86 Ca 0.67 -1.77 -0.27 0.00 -0.26 0.00 0.00 60.65 59.02 2pwq s ILE 86 Cb -0.37 -1.55 0.02 0.00 1.25 0.00 0.00 42.46 41.81 2pwq s ILE 86 CO 0.44 -0.52 0.96 0.00 0.24 0.00 0.00 174.94 176.06 2pwq n LEU 88 N 6.82 4.37 -0.27 0.00 4.77 -1.26 -4.65 117.00 126.78 2pwq n LEU 88 Ca 0.08 -3.24 0.06 0.00 -0.03 0.00 0.00 56.01 52.88 2pwq n LEU 88 Cb 0.48 -0.61 0.20 0.00 -2.33 0.00 0.00 43.42 41.16 2pwq n LEU 88 CO 0.59 0.84 1.03 0.44 -1.33 0.00 0.00 177.39 178.96 2pwq h ASP 89 N 1.78 0.33 0.71 -1.43 3.32 -1.99 0.10 116.42 119.25 2pwq h ASP 89 Ca 0.10 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 2pwq h ASP 89 Cb 1.67 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 2pwq h ASP 89 CO 0.36 0.13 -0.46 0.58 -1.72 0.00 0.00 179.24 178.13 2pwq h VAL 90 N 0.48 0.00 -0.12 -1.35 2.07 -2.00 -1.45 116.25 113.88 2pwq h VAL 90 Ca 0.43 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.90 2pwq h VAL 90 Cb 0.64 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2pwq h VAL 90 CO -0.39 0.00 -0.14 0.17 0.02 0.00 0.00 177.57 177.23 2pwq h LEU 91 N -1.10 0.18 -0.19 2.57 -0.00 -1.84 0.49 115.31 115.41 2pwq h LEU 91 Ca -0.09 -0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.78 2pwq h LEU 91 Cb 0.88 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.45 2pwq h LEU 91 CO 0.08 0.34 -0.33 0.50 -0.00 0.00 0.00 178.44 179.02 2pwq h LYS 92 N 0.18 -0.27 0.00 0.17 3.64 -0.53 0.38 116.57 120.14 2pwq h LYS 92 Ca 0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2pwq h LYS 92 Cb 0.36 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2pwq h LYS 92 CO 0.02 -0.18 -0.12 0.27 -2.27 0.00 0.00 179.45 177.17 2pwq n ASN 93 N -4.30 0.37 0.02 4.20 2.04 -0.57 -2.70 115.26 114.32 2pwq n ASN 93 Ca -0.03 0.39 0.13 0.00 -0.44 0.00 0.00 54.58 54.63 2pwq n ASN 93 Cb 0.21 -0.43 0.34 0.00 -2.53 0.00 0.00 39.78 37.37 2pwq n ASN 93 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2pwq n GLU 94 N -1.78 0.07 -1.86 -3.83 -0.58 0.14 -4.99 120.64 107.81 2pwq n GLU 94 Ca 0.06 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.41 2pwq n GLU 94 Cb 0.38 -1.55 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 2pwq n GLU 94 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2pwq s TRP 95 N -3.04 2.87 0.06 -0.32 -0.11 0.13 -5.00 118.94 113.53 2pwq s TRP 95 Ca 0.11 0.80 -0.16 0.00 1.22 0.00 0.00 56.10 58.07 2pwq s TRP 95 Cb 0.17 -3.99 0.03 0.00 -1.50 0.00 0.00 33.47 28.17 2pwq s TRP 95 CO 0.66 -3.37 0.35 -1.54 -4.62 0.00 0.00 176.95 168.43 2pwq s SER 96 N 0.57 -0.19 0.50 5.86 1.04 -1.26 -5.00 113.70 115.22 2pwq s SER 96 Ca 0.64 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2pwq s SER 96 Cb -0.46 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2pwq s SER 96 CO 0.44 -0.67 0.85 -2.65 0.98 0.00 0.00 173.24 172.19 2pwq n PRO 97 N 0.42 0.02 0.09 4.02 -0.02 -1.10 0.26 135.00 138.70 2pwq n PRO 97 Ca -0.18 0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 61.98 2pwq n PRO 97 Cb 0.60 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 2pwq n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pwq h ALA 98 N 0.00 0.55 -2.33 3.55 0.00 -1.95 -3.46 119.26 115.62 2pwq h ALA 98 Ca 0.00 -0.76 -0.51 0.00 0.00 0.00 0.00 54.91 53.64 2pwq h ALA 98 Cb 1.69 -0.13 0.11 0.00 0.00 0.00 0.00 17.79 19.46 2pwq h ALA 98 CO 0.00 1.04 0.35 -0.51 0.00 0.00 0.00 179.25 180.13 2pwq s LEU 99 N -6.89 3.10 0.08 0.00 1.43 0.14 -5.08 118.68 111.47 2pwq s LEU 99 Ca 0.01 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 2pwq s LEU 99 Cb 0.10 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 2pwq s LEU 99 CO 0.79 -1.70 -0.06 0.42 0.23 0.00 0.00 176.35 176.03 2pwq s THR 100 N -2.97 0.57 0.14 5.49 -4.23 -1.26 -4.96 115.64 108.43 2pwq s THR 100 Ca 0.60 -1.87 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 2pwq s THR 100 Cb -0.15 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 2pwq s THR 100 CO 0.55 -0.88 1.79 0.40 -0.54 0.00 0.00 174.62 175.94 2pwq h ILE 101 N 3.08 1.05 -0.93 2.99 2.04 -1.98 -0.05 117.51 123.72 2pwq h ILE 101 Ca -0.35 -0.13 0.15 0.00 1.00 0.00 0.00 64.86 65.53 2pwq h ILE 101 Cb 1.16 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 2pwq h ILE 101 CO 0.64 0.07 0.60 -0.09 0.00 0.00 0.00 178.15 179.36 2pwq h ARG 102 N 0.38 0.71 -0.06 2.37 2.43 -1.97 0.17 114.38 118.41 2pwq h ARG 102 Ca 0.11 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 2pwq h ARG 102 Cb -0.02 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2pwq h ARG 102 CO -0.04 0.47 -0.74 1.79 -1.51 0.00 0.00 179.97 179.94 2pwq h THR 103 N 0.73 1.40 -0.76 0.20 1.35 -1.69 0.22 112.91 114.35 2pwq h THR 103 Ca 0.48 -2.19 0.04 0.00 -0.55 0.00 0.00 66.41 64.20 2pwq h THR 103 Cb 0.76 2.15 -0.05 0.00 -1.73 0.00 0.00 68.15 69.28 2pwq h THR 103 CO -0.24 0.65 0.47 0.00 -0.25 0.00 0.00 175.52 176.15 2pwq h ALA 104 N 0.97 1.02 -0.40 6.62 0.00 0.34 -1.29 119.26 126.52 2pwq h ALA 104 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2pwq h ALA 104 Cb 1.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2pwq h ALA 104 CO 0.12 0.23 -0.36 -0.07 0.00 0.00 0.00 179.25 179.17 2pwq h LEU 105 N 0.89 1.01 -1.37 0.00 3.38 -0.81 -2.59 115.31 115.83 2pwq h LEU 105 Ca 0.32 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2pwq h LEU 105 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2pwq h LEU 105 CO -0.14 1.26 0.43 -0.07 0.09 0.00 0.00 178.44 180.01 2pwq h LEU 106 N 0.78 0.73 -0.41 1.67 3.38 -0.26 -0.53 115.31 120.67 2pwq h LEU 106 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2pwq h LEU 106 Cb 0.96 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2pwq h LEU 106 CO 0.09 0.53 0.00 0.77 0.09 0.00 0.00 178.44 179.92 2pwq h SER 107 N 0.86 0.00 0.13 -0.43 4.64 -1.07 -0.29 113.55 117.38 2pwq h SER 107 Ca 0.24 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.33 2pwq h SER 107 Cb -0.07 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.04 2pwq h SER 107 CO -0.06 0.00 -1.00 0.40 -0.87 0.00 0.00 176.83 175.31 2pwq h ILE 108 N 0.00 1.40 -0.64 0.95 2.04 -1.00 -2.57 117.51 117.68 2pwq h ILE 108 Ca 0.00 -2.45 0.02 0.00 1.00 0.00 0.00 64.86 63.43 2pwq h ILE 108 Cb 0.85 2.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.82 2pwq h ILE 108 CO 0.00 0.72 0.43 -0.61 0.00 0.00 0.00 178.15 178.68 2pwq h GLN 109 N -0.06 0.78 -0.38 2.37 4.15 -0.83 -1.55 115.11 119.58 2pwq h GLN 109 Ca -0.16 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.24 2pwq h GLN 109 Cb 1.74 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 29.22 2pwq h GLN 109 CO 0.19 0.52 0.18 0.00 -1.93 0.00 0.00 178.83 177.79 2pwq h ALA 110 N 1.62 0.47 -0.94 3.38 0.00 -1.03 -2.09 119.26 120.67 2pwq h ALA 110 Ca 0.25 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.38 2pwq h ALA 110 Cb 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 2pwq h ALA 110 CO -0.06 -0.19 0.51 -0.07 0.00 0.00 0.00 179.25 179.43 2pwq h LEU 111 N 0.37 0.58 -0.57 0.00 3.38 -0.88 -0.13 115.31 118.06 2pwq h LEU 111 Ca 0.17 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.30 2pwq h LEU 111 Cb 0.09 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2pwq h LEU 111 CO -0.13 0.15 0.32 -0.07 0.09 0.00 0.00 178.44 178.80 2pwq h LEU 112 N 0.59 0.49 -1.62 1.67 4.07 -0.85 -1.76 115.31 117.91 2pwq h LEU 112 Ca 0.56 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.50 2pwq h LEU 112 Cb 0.95 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 2pwq h LEU 112 CO -0.44 0.34 -0.18 0.28 -1.08 0.00 0.00 178.44 177.36 2pwq h SER 113 N 0.62 0.00 -1.62 -0.43 0.02 -0.71 -3.40 113.55 108.04 2pwq h SER 113 Ca 0.24 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.80 2pwq h SER 113 Cb 0.10 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.36 2pwq h SER 113 CO -0.14 0.18 -0.77 -0.67 -1.14 0.00 0.00 176.83 174.29 2pwq n ASP 114 N -3.64 -1.73 -4.76 3.07 2.03 -0.19 -5.06 116.55 106.28 2pwq n ASP 114 Ca -0.01 -2.68 -0.37 0.00 0.52 0.00 0.00 54.79 52.24 2pwq n ASP 114 Cb 0.31 0.50 0.03 0.00 -0.72 0.00 0.00 41.12 41.23 2pwq n ASP 114 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2pwq s PRO 115 N 0.29 3.19 -0.81 -0.67 0.02 -1.00 -4.58 135.00 131.44 2pwq s PRO 115 Ca 0.32 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.30 2pwq s PRO 115 Cb 0.05 -2.13 0.21 0.00 0.02 0.00 0.00 34.50 32.65 2pwq s PRO 115 CO -0.14 -1.06 0.70 1.04 -0.33 0.00 0.00 177.00 177.21 2pwq n GLN 116 N -1.18 2.39 0.32 5.54 1.13 -1.26 -4.98 117.38 119.35 2pwq n GLN 116 Ca 0.11 -4.51 0.21 0.00 -1.94 0.00 0.00 57.00 50.87 2pwq n GLN 116 Cb 0.48 -2.35 1.08 0.00 0.11 0.00 0.00 30.24 29.56 2pwq n GLN 116 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2pwq h PRO 117 N 5.52 0.00 0.00 -1.09 0.13 -1.94 -2.40 132.00 132.23 2pwq h PRO 117 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2pwq h PRO 117 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2pwq h PRO 117 CO 0.82 0.01 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.33 2pwq n ASP 118 N -3.18 0.71 -3.01 1.44 9.92 -1.26 -4.02 116.55 117.14 2pwq n ASP 118 Ca -0.02 0.55 -0.28 0.00 -0.53 0.00 0.00 54.79 54.51 2pwq n ASP 118 Cb 0.12 -0.73 -0.04 0.00 -0.64 0.00 0.00 41.12 39.83 2pwq n ASP 118 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2pwq n ASP 119 N -2.16 4.65 -4.85 -2.24 8.00 -0.90 -5.10 116.55 113.95 2pwq n ASP 119 Ca 0.06 -3.68 -0.32 0.00 0.71 0.00 0.00 54.79 51.56 2pwq n ASP 119 Cb 0.42 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 2pwq n ASP 119 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2pwq s PRO 120 N -3.48 3.95 -0.14 -0.24 0.05 -1.26 -4.86 135.00 129.03 2pwq s PRO 120 Ca 0.48 0.76 0.04 0.00 0.05 0.00 0.00 61.00 62.33 2pwq s PRO 120 Cb 0.27 -2.29 -0.12 0.00 0.05 0.00 0.00 34.50 32.40 2pwq s PRO 120 CO -0.13 -0.05 -0.08 1.04 0.05 0.00 0.00 177.00 177.82 2pwq n GLN 121 N -1.05 0.92 -3.98 4.56 1.13 0.85 -4.92 117.38 114.89 2pwq n GLN 121 Ca 0.05 0.06 -0.34 0.00 -1.94 0.00 0.00 57.00 54.83 2pwq n GLN 121 Cb 0.54 -1.31 -0.14 0.00 0.11 0.00 0.00 30.24 29.43 2pwq n GLN 121 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2pwq s ASP 122 N -5.19 4.48 0.28 1.08 -1.08 -1.06 -4.65 116.67 110.53 2pwq s ASP 122 Ca -0.16 -1.15 -0.04 0.00 -0.52 0.00 0.00 52.55 50.68 2pwq s ASP 122 Cb 0.05 -1.63 0.36 0.00 -1.46 0.00 0.00 42.92 40.24 2pwq s ASP 122 CO 0.41 -0.18 1.95 0.00 0.52 0.00 0.00 175.17 177.86 2pwq h ALA 123 N 7.93 1.36 -0.29 3.66 0.00 -1.91 -0.98 119.26 129.03 2pwq h ALA 123 Ca -0.25 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 2pwq h ALA 123 Cb 1.07 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2pwq h ALA 123 CO 0.53 0.59 -0.42 1.05 0.00 0.00 0.00 179.25 181.00 2pwq h GLU 124 N 1.23 0.79 -0.44 0.00 4.11 -1.98 -0.39 114.58 117.90 2pwq h GLU 124 Ca 0.34 -0.47 -0.12 0.00 0.07 0.00 0.00 59.36 59.19 2pwq h GLU 124 Cb -0.11 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2pwq h GLU 124 CO -0.08 1.10 -0.18 0.28 0.07 0.00 0.00 179.01 180.20 2pwq h VAL 125 N 0.55 1.27 -0.44 -1.06 2.07 -1.86 -2.44 116.25 114.34 2pwq h VAL 125 Ca 0.03 -1.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.11 2pwq h VAL 125 Cb 1.02 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2pwq h VAL 125 CO 0.10 0.45 -0.17 0.00 0.02 0.00 0.00 177.57 177.97 2pwq h ALA 126 N 0.84 0.62 -0.35 1.67 0.00 -1.12 0.10 119.26 121.01 2pwq h ALA 126 Ca 0.10 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.71 2pwq h ALA 126 Cb 0.74 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2pwq h ALA 126 CO 0.06 0.56 0.03 -0.22 0.00 0.00 0.00 179.25 179.67 2pwq h LYS 127 N 0.73 0.13 -0.47 0.00 3.64 -1.09 -1.57 116.57 117.95 2pwq h LYS 127 Ca 0.10 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2pwq h LYS 127 Cb 0.72 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2pwq h LYS 127 CO 0.06 0.09 -0.10 1.98 -2.27 0.00 0.00 179.45 179.21 2pwq h MET 128 N 0.14 0.85 -0.35 1.90 4.05 -1.04 0.48 114.93 120.96 2pwq h MET 128 Ca 0.17 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 2pwq h MET 128 Cb 0.22 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2pwq h MET 128 CO -0.26 0.91 0.16 -0.92 0.23 0.00 0.00 176.91 177.03 2pwq h TYR 129 N 0.77 0.51 0.15 1.39 3.20 -0.42 -0.70 116.97 121.86 2pwq h TYR 129 Ca 0.13 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2pwq h TYR 129 Cb 0.60 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2pwq h TYR 129 CO 0.03 0.45 -0.07 0.87 -1.64 0.00 0.00 178.16 177.80 2pwq h LYS 130 N 0.42 -0.19 -0.20 1.82 1.57 -1.15 -3.30 116.57 115.54 2pwq h LYS 130 Ca 0.12 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2pwq h LYS 130 Cb 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2pwq h LYS 130 CO -0.01 0.23 -0.39 0.93 -0.57 0.00 0.00 179.45 179.64 2pwq h GLU 131 N -0.91 0.45 -1.59 3.15 3.07 -0.05 -3.40 114.58 115.31 2pwq h GLU 131 Ca -0.02 -0.22 -0.28 0.00 -0.50 0.00 0.00 59.36 58.34 2pwq h GLU 131 Cb 0.51 -0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.16 2pwq h GLU 131 CO 0.03 0.77 -0.63 1.21 -1.40 0.00 0.00 179.01 179.00 2pwq s ASN 132 N -6.85 0.07 0.11 1.42 3.84 -0.27 -5.02 114.94 108.24 2pwq s ASN 132 Ca -0.06 -1.58 -0.01 0.00 0.21 0.00 0.00 52.86 51.41 2pwq s ASN 132 Cb 0.13 1.03 -0.17 0.00 -0.55 0.00 0.00 41.25 41.69 2pwq s ASN 132 CO 0.80 -0.19 1.24 -0.74 -2.79 0.00 0.00 177.10 175.43 2pwq h HIS 133 N 6.53 0.41 0.00 0.43 -0.00 -1.63 -2.33 115.15 118.57 2pwq h HIS 133 Ca 0.08 -0.27 -0.02 0.00 -0.00 0.00 0.00 60.37 60.16 2pwq h HIS 133 Cb 1.08 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.46 2pwq h HIS 133 CO 0.24 1.15 -0.09 0.00 -0.00 0.00 0.00 177.93 179.23 2pwq h ALA 134 N 0.75 1.12 0.13 5.26 0.00 -1.89 -1.36 119.26 123.27 2pwq h ALA 134 Ca -0.09 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 2pwq h ALA 134 Cb 1.76 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.56 2pwq h ALA 134 CO 0.17 0.11 -0.82 1.25 0.00 0.00 0.00 179.25 179.96 2pwq h LEU 135 N 0.00 0.44 -0.73 0.00 5.85 -1.85 -3.08 115.31 115.93 2pwq h LEU 135 Ca -0.00 -0.95 0.16 0.00 0.84 0.00 0.00 57.88 57.93 2pwq h LEU 135 Cb 0.40 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.15 2pwq h LEU 135 CO 0.01 1.39 -0.10 0.15 -0.34 0.00 0.00 178.44 179.55 2pwq h PHE 136 N -0.40 -0.25 -0.55 1.25 3.57 -0.76 0.40 116.94 120.20 2pwq h PHE 136 Ca -0.15 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 2pwq h PHE 136 Cb 1.62 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 2pwq h PHE 136 CO 0.20 -0.28 0.27 0.28 -2.23 0.00 0.00 178.31 176.55 2pwq h VAL 137 N 0.04 1.20 -0.53 1.41 2.07 -1.35 0.83 116.25 119.92 2pwq h VAL 137 Ca 0.37 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2pwq h VAL 137 Cb 0.61 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2pwq h VAL 137 CO -0.71 0.22 0.00 0.11 0.02 0.00 0.00 177.57 177.21 2pwq h LYS 138 N 0.73 0.94 -0.16 1.57 1.79 -0.97 0.22 116.57 120.69 2pwq h LYS 138 Ca 0.19 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 2pwq h LYS 138 Cb 0.10 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2pwq h LYS 138 CO -0.03 0.95 0.04 1.15 -1.08 0.00 0.00 179.45 180.48 2pwq h THR 139 N 0.81 1.21 -0.90 -0.16 2.02 0.18 -1.16 112.91 114.91 2pwq h THR 139 Ca 0.15 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2pwq h THR 139 Cb 0.53 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 2pwq h THR 139 CO 0.03 0.20 0.52 0.00 0.37 0.00 0.00 175.52 176.63 2pwq h ALA 140 N 0.84 1.22 -0.45 6.16 0.00 -0.79 -1.02 119.26 125.21 2pwq h ALA 140 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2pwq h ALA 140 Cb 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2pwq h ALA 140 CO 0.00 0.65 0.21 1.03 0.00 0.00 0.00 179.25 181.14 2pwq h SER 141 N 1.24 0.60 0.17 0.00 0.87 -0.84 -1.94 113.55 113.65 2pwq h SER 141 Ca 0.32 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2pwq h SER 141 Cb -0.01 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2pwq h SER 141 CO -0.06 0.56 -0.32 0.58 -0.53 0.00 0.00 176.83 177.07 2pwq h VAL 142 N 0.59 0.32 -0.74 2.23 2.07 -0.75 -1.78 116.25 118.19 2pwq h VAL 142 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 2pwq h VAL 142 Cb 0.13 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2pwq h VAL 142 CO -0.02 0.00 0.49 -0.50 0.02 0.00 0.00 177.57 177.56 2pwq h TRP 143 N -0.58 0.73 -0.38 1.57 4.06 -1.22 0.48 115.95 120.62 2pwq h TRP 143 Ca 0.02 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 2pwq h TRP 143 Cb 0.58 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 2pwq h TRP 143 CO -0.26 0.36 0.14 1.15 -3.56 0.00 0.00 178.44 176.27 2pwq h THR 144 N 0.70 1.20 0.00 1.49 2.02 -1.07 0.28 112.91 117.54 2pwq h THR 144 Ca 0.33 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2pwq h THR 144 Cb 0.37 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2pwq h THR 144 CO -0.12 0.22 -0.06 0.29 0.37 0.00 0.00 175.52 176.23 2pwq n LYS 145 N -4.65 0.21 -0.11 6.66 5.02 -0.69 -1.81 118.16 122.79 2pwq n LYS 145 Ca -0.01 0.16 -0.21 0.00 -2.02 0.00 0.00 58.31 56.24 2pwq n LYS 145 Cb 0.15 -1.74 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 2pwq n LYS 145 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2pwq n THR 146 N -2.11 1.51 0.21 -0.18 -1.04 0.08 -4.65 114.28 108.10 2pwq n THR 146 Ca 0.06 -0.09 0.11 0.00 -2.04 0.00 0.00 64.05 62.09 2pwq n THR 146 Cb 0.41 -2.07 -0.13 0.00 -1.82 0.00 0.00 70.33 66.72 2pwq n THR 146 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2pwq n PHE 147 N -4.41 0.09 -1.76 -1.42 3.01 0.99 -4.55 117.46 109.41 2pwq n PHE 147 Ca -0.34 0.03 -0.01 0.00 1.01 0.00 0.00 57.45 58.13 2pwq n PHE 147 Cb 0.67 -0.45 0.15 0.00 -0.01 0.00 0.00 39.48 39.85 2pwq n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pwq n ALA 148 N -2.10 3.91 -1.18 4.37 0.00 -0.75 -4.66 120.51 120.11 2pwq n ALA 148 Ca -0.02 -3.37 -0.30 0.00 0.00 0.00 0.00 53.44 49.75 2pwq n ALA 148 Cb 0.52 -0.37 0.14 0.00 0.00 0.00 0.00 19.45 19.74 2pwq n ALA 148 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2pwq s THR 149 N -3.42 2.64 0.96 0.00 -1.32 -1.23 -1.01 115.64 112.25 2pwq s THR 149 Ca 0.41 0.21 -0.19 0.00 -1.21 0.00 0.00 61.69 60.91 2pwq s THR 149 Cb 0.38 -2.67 -0.16 0.00 -1.51 0.00 0.00 72.50 68.54 2pwq s THR 149 CO -0.05 -0.27 -0.95 0.61 -2.21 0.00 0.00 174.62 171.75 2pwq n GLY 150 N -1.05 -4.10 0.00 6.08 0.00 -1.26 -4.62 105.19 100.23 2pwq n GLY 150 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2pwq n GLY 150 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77