#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwz s LEU 3 N 0.00 4.51 0.00 -4.62 1.43 -1.26 -4.72 118.68 114.02 2qwz s LEU 3 Ca 0.00 1.34 0.18 0.00 -1.03 0.00 0.00 54.13 54.62 2qwz s LEU 3 Cb 0.00 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 2qwz s LEU 3 CO 0.00 0.23 0.91 1.33 0.23 0.00 0.00 176.35 179.05 2qwz n VAL 4 N 1.53 0.00 -4.40 -1.59 0.24 -0.53 -4.96 118.33 108.62 2qwz n VAL 4 Ca -0.08 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.34 61.68 2qwz n VAL 4 Cb 0.50 1.18 -0.11 0.00 -1.47 0.00 0.00 33.84 33.95 2qwz n VAL 4 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2qwz s PHE 5 N -2.18 2.38 0.45 6.34 0.08 -1.17 -4.98 117.98 118.90 2qwz s PHE 5 Ca 0.14 -0.32 0.07 0.00 0.12 0.00 0.00 56.93 56.94 2qwz s PHE 5 Cb 0.15 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.43 2qwz s PHE 5 CO 0.50 0.54 0.34 0.16 -0.10 0.00 0.00 175.22 176.65 2qwz s ASP 6 N -2.85 4.80 0.21 1.36 -4.77 -1.26 -4.91 116.67 109.25 2qwz s ASP 6 Ca 0.23 -0.94 -0.10 0.00 -3.30 0.00 0.00 52.55 48.44 2qwz s ASP 6 Cb -0.08 -0.32 0.30 0.00 -1.09 0.00 0.00 42.92 41.73 2qwz s ASP 6 CO 0.12 -0.73 1.70 0.50 0.70 0.00 0.00 175.17 177.46 2qwz h LYS 7 N 1.06 0.24 -0.08 2.11 3.64 -1.99 0.29 116.57 121.84 2qwz h LYS 7 Ca -0.41 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 58.80 2qwz h LYS 7 Cb 1.27 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2qwz h LYS 7 CO 0.60 0.16 -0.58 -0.44 -2.27 0.00 0.00 179.45 176.93 2qwz h ASP 8 N 0.25 0.64 -0.73 4.20 3.32 -1.97 0.81 116.42 122.93 2qwz h ASP 8 Ca 0.32 -0.67 0.13 0.00 0.02 0.00 0.00 57.03 56.83 2qwz h ASP 8 Cb 0.47 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.74 2qwz h ASP 8 CO -0.41 1.22 0.28 1.23 -1.72 0.00 0.00 179.24 179.84 2qwz h GLY 9 N 0.12 1.09 0.57 2.75 0.00 -1.83 0.33 103.07 106.11 2qwz h GLY 9 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2qwz h GLY 9 CO 0.12 -0.08 -0.05 -2.00 0.00 0.00 0.00 176.54 174.52 2qwz h LEU 10 N 0.44 0.12 -1.09 3.11 5.85 -0.38 -1.67 115.31 121.69 2qwz h LEU 10 Ca 0.40 -0.50 0.11 0.00 0.84 0.00 0.00 57.88 58.72 2qwz h LEU 10 Cb 0.58 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2qwz h LEU 10 CO -0.39 0.60 0.61 0.28 -0.34 0.00 0.00 178.44 179.21 2qwz h SER 11 N -0.35 0.88 0.18 1.25 0.02 -0.52 -0.54 113.55 114.48 2qwz h SER 11 Ca 0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2qwz h SER 11 Cb 0.57 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2qwz h SER 11 CO 0.01 0.50 -0.09 0.00 -1.14 0.00 0.00 176.83 176.12 2qwz h ALA 12 N 1.54 -0.24 0.00 3.77 0.00 -0.32 -2.68 119.26 121.33 2qwz h ALA 12 Ca 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2qwz h ALA 12 Cb 0.43 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qwz h ALA 12 CO -0.22 -0.47 -0.06 -0.92 0.00 0.00 0.00 179.25 177.58 2qwz h TYR 13 N -0.57 0.00 -0.08 0.00 3.20 -0.83 -1.44 116.97 117.24 2qwz h TYR 13 Ca -0.02 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.63 2qwz h TYR 13 Cb 0.43 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.71 2qwz h TYR 13 CO 0.03 0.06 -0.83 -0.07 -1.64 0.00 0.00 178.16 175.71 2qwz h LEU 14 N 0.00 0.74 -0.33 2.82 3.38 -1.09 -1.13 115.31 119.71 2qwz h LEU 14 Ca -0.00 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2qwz h LEU 14 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qwz h LEU 14 CO 0.01 1.31 0.16 -0.33 0.09 0.00 0.00 178.44 179.67 2qwz h GLU 15 N 0.39 0.48 0.23 1.13 5.08 -1.01 0.75 114.58 121.63 2qwz h GLU 15 Ca -0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2qwz h GLU 15 Cb 1.45 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 2qwz h GLU 15 CO 0.16 0.44 -0.45 1.49 -1.00 0.00 0.00 179.01 179.65 2qwz h GLU 16 N 0.40 -0.71 -0.46 2.33 4.81 -1.33 -2.56 114.58 117.07 2qwz h GLU 16 Ca 0.11 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2qwz h GLU 16 Cb 0.12 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2qwz h GLU 16 CO -0.01 -0.47 -0.06 0.28 -0.73 0.00 0.00 179.01 178.02 2qwz h VAL 17 N -0.73 1.25 -3.09 0.32 2.07 -1.09 -3.35 116.25 111.62 2qwz h VAL 17 Ca -0.02 -1.10 -0.62 0.00 0.82 0.00 0.00 66.70 65.77 2qwz h VAL 17 Cb 0.69 0.96 -0.41 0.00 -1.52 0.00 0.00 31.29 31.01 2qwz h VAL 17 CO -0.17 0.38 -0.63 -0.36 0.02 0.00 0.00 177.57 176.81 2qwz s PHE 18 N -4.88 3.16 -0.64 1.57 0.40 0.26 -4.87 117.98 112.97 2qwz s PHE 18 Ca -0.09 -3.15 0.25 0.00 -0.60 0.00 0.00 56.93 53.34 2qwz s PHE 18 Cb 0.14 -2.53 0.73 0.00 0.51 0.00 0.00 43.02 41.87 2qwz s PHE 18 CO 0.82 -0.63 1.74 -1.00 0.70 0.00 0.00 175.22 176.85 2qwz h PRO 19 N 5.79 0.00 -0.42 0.24 0.13 -1.60 -3.07 132.00 133.06 2qwz h PRO 19 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 2qwz h PRO 19 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2qwz h PRO 19 CO 0.67 0.00 0.18 1.96 -0.23 0.00 0.00 178.00 180.58 2qwz h GLN 20 N 0.00 0.61 -0.83 0.86 7.50 -1.89 -3.17 115.11 118.20 2qwz h GLN 20 Ca 0.00 -0.10 0.10 0.00 0.50 0.00 0.00 58.65 59.15 2qwz h GLN 20 Cb 0.77 -0.10 -0.12 0.00 0.05 0.00 0.00 27.48 28.07 2qwz h GLN 20 CO 0.00 0.55 -0.49 -0.84 -1.50 0.00 0.00 178.83 176.56 2qwz h ILE 21 N 0.53 0.03 0.00 2.54 3.07 -1.91 -3.46 117.51 118.31 2qwz h ILE 21 Ca 0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.55 2qwz h ILE 21 Cb 0.16 0.03 0.00 0.00 -0.27 0.00 0.00 36.82 36.73 2qwz h ILE 21 CO -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.09 2qwz n GLN 22 N -5.37 0.00 -1.07 0.16 3.00 -1.20 -2.58 117.38 110.32 2qwz n GLN 22 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.92 2qwz n GLN 22 Cb 0.33 0.00 0.27 0.00 0.00 0.00 0.00 30.24 30.84 2qwz n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qwz n GLY 23 N 0.00 3.96 0.13 1.08 0.00 -1.26 -4.70 105.19 104.40 2qwz n GLY 23 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 2qwz n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qwz h GLU 24 N 2.12 0.28 -5.54 1.61 4.81 -1.81 -3.43 114.58 112.62 2qwz h GLU 24 Ca 0.37 -0.48 -0.60 0.00 -0.13 0.00 0.00 59.36 58.51 2qwz h GLU 24 Cb 2.46 0.18 -0.31 0.00 0.63 0.00 0.00 28.75 31.71 2qwz h GLU 24 CO 0.83 1.23 -0.85 -0.06 -0.73 0.00 0.00 179.01 179.43 2qwz s PHE 25 N -2.50 1.94 0.04 0.92 0.08 -1.26 -0.04 117.98 117.16 2qwz s PHE 25 Ca -0.19 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.32 2qwz s PHE 25 Cb 0.05 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2qwz s PHE 25 CO 0.79 -0.18 -0.07 -1.54 -0.10 0.00 0.00 175.22 174.11 2qwz s SER 26 N -0.04 0.82 -0.36 1.36 1.04 -0.42 -4.98 113.70 111.12 2qwz s SER 26 Ca -0.03 -0.54 -0.22 0.00 0.48 0.00 0.00 55.95 55.64 2qwz s SER 26 Cb -0.12 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.04 2qwz s SER 26 CO 0.03 -0.21 0.69 -0.63 0.98 0.00 0.00 173.24 174.10 2qwz s ILE 27 N -1.37 4.82 0.08 -1.02 1.01 -1.26 -0.09 121.20 123.37 2qwz s ILE 27 Ca -0.10 0.67 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 2qwz s ILE 27 Cb -0.10 -4.14 -0.26 0.00 0.01 0.00 0.00 42.46 37.97 2qwz s ILE 27 CO 0.00 -0.38 1.16 0.44 0.00 0.00 0.00 174.94 176.16 2qwz h ASP 28 N 8.50 0.70 -4.07 3.58 5.19 -1.37 -3.47 116.42 125.47 2qwz h ASP 28 Ca -0.26 -0.64 -0.07 0.00 -0.62 0.00 0.00 57.03 55.44 2qwz h ASP 28 Cb 1.10 -0.22 -0.22 0.00 0.18 0.00 0.00 39.33 40.18 2qwz h ASP 28 CO 0.87 1.47 0.00 0.00 -3.12 0.00 0.00 179.24 178.46 2qwz s ALA 29 N -2.97 -1.50 -0.09 3.45 0.00 -1.04 -4.97 121.76 114.64 2qwz s ALA 29 Ca -0.07 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.54 2qwz s ALA 29 Cb 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2qwz s ALA 29 CO 0.91 -0.29 -0.12 -1.17 0.00 0.00 0.00 175.76 175.09 2qwz s LEU 30 N 0.15 1.55 0.24 0.00 2.96 -1.26 -0.52 118.68 121.80 2qwz s LEU 30 Ca -0.01 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2qwz s LEU 30 Cb -0.04 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 2qwz s LEU 30 CO 0.02 -0.01 0.11 0.00 -1.32 0.00 0.00 176.35 175.15 2qwz s ALA 31 N 0.99 1.56 0.32 5.97 0.00 0.61 -4.95 121.76 126.26 2qwz s ALA 31 Ca -0.08 -1.82 0.09 0.00 0.00 0.00 0.00 51.96 50.15 2qwz s ALA 31 Cb -0.15 1.15 0.93 0.00 0.00 0.00 0.00 23.12 25.06 2qwz s ALA 31 CO -0.00 -0.50 1.62 0.87 0.00 0.00 0.00 175.76 177.75 2qwz h LYS 32 N 2.45 0.15 0.00 0.00 1.79 -2.00 -2.78 116.57 116.19 2qwz h LYS 32 Ca -0.37 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2qwz h LYS 32 Cb 1.25 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2qwz h LYS 32 CO 0.58 0.10 -0.10 0.41 -1.08 0.00 0.00 179.45 179.36 2qwz n GLY 33 N -1.36 0.77 2.98 3.86 0.00 -1.26 -4.91 105.19 105.27 2qwz n GLY 33 Ca 0.27 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2qwz n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qwz s GLU 34 N -0.78 0.32 -0.00 1.61 4.04 -1.05 -2.03 118.70 120.82 2qwz s GLU 34 Ca 0.05 -0.59 -0.01 0.00 0.04 0.00 0.00 54.97 54.46 2qwz s GLU 34 Cb 0.05 0.05 -0.00 0.00 0.02 0.00 0.00 34.13 34.24 2qwz s GLU 34 CO 0.01 -0.03 0.02 -1.50 -1.84 0.00 0.00 175.26 171.91 2qwz s ILE 35 N -1.36 0.04 0.35 1.83 2.07 -0.70 -0.29 121.20 123.14 2qwz s ILE 35 Ca -0.14 -0.31 0.09 0.00 -1.41 0.00 0.00 60.65 58.88 2qwz s ILE 35 Cb -0.09 -0.14 -0.06 0.00 0.13 0.00 0.00 42.46 42.29 2qwz s ILE 35 CO -0.01 -0.17 -0.06 -0.89 -1.91 0.00 0.00 174.94 171.90 2qwz s THR 36 N -0.51 2.30 -0.28 4.00 2.01 0.33 -1.31 115.64 122.18 2qwz s THR 36 Ca -0.06 -2.13 -0.21 0.00 0.31 0.00 0.00 61.69 59.61 2qwz s THR 36 Cb -0.04 -2.72 0.08 0.00 0.01 0.00 0.00 72.50 69.84 2qwz s THR 36 CO -0.00 -0.18 0.75 -0.60 -0.69 0.00 0.00 174.62 173.90 2qwz s ARG 38 N -3.65 0.73 -0.44 4.92 3.52 0.88 -0.80 118.95 124.10 2qwz s ARG 38 Ca 0.33 1.03 -0.17 0.00 -0.13 0.00 0.00 55.73 56.80 2qwz s ARG 38 Cb 0.03 0.27 0.04 0.00 -1.56 0.00 0.00 34.95 33.72 2qwz s ARG 38 CO 0.17 -0.12 0.44 -1.17 -0.81 0.00 0.00 175.30 173.82 2qwz s LEU 39 N 0.93 5.08 -0.84 -0.88 2.96 0.53 -1.30 118.68 125.16 2qwz s LEU 39 Ca -0.04 -0.89 -0.25 0.00 -0.22 0.00 0.00 54.13 52.73 2qwz s LEU 39 Cb -0.05 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 2qwz s LEU 39 CO -0.09 -0.63 1.70 0.20 -1.32 0.00 0.00 176.35 176.22 2qwz s ASN 40 N 2.10 5.66 0.19 3.68 0.01 0.94 -2.77 114.94 124.75 2qwz s ASN 40 Ca 0.10 -0.60 0.20 0.00 -0.71 0.00 0.00 52.86 51.85 2qwz s ASN 40 Cb -0.19 -2.56 0.86 0.00 0.41 0.00 0.00 41.25 39.77 2qwz s ASN 40 CO 0.11 -2.22 1.61 0.52 -1.51 0.00 0.00 177.10 175.61 2qwz n VAL 41 N 7.25 0.95 -0.29 1.60 0.31 -1.26 -1.31 118.33 125.59 2qwz n VAL 41 Ca 0.28 0.30 -0.03 0.00 -0.01 0.00 0.00 64.34 64.88 2qwz n VAL 41 Cb 0.49 -1.20 0.12 0.00 -0.91 0.00 0.00 33.84 32.35 2qwz n VAL 41 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qwz h GLN 42 N 0.00 1.17 0.00 5.55 4.20 -1.92 -2.94 115.11 121.17 2qwz h GLN 42 Ca 0.00 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 2qwz h GLN 42 Cb 0.28 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2qwz h GLN 42 CO 0.00 0.87 -0.05 1.49 -0.67 0.00 0.00 178.83 180.47 2qwz h GLU 43 N 1.17 0.00 -0.09 1.46 4.22 -1.47 -2.53 114.58 117.34 2qwz h GLU 43 Ca 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.66 2qwz h GLU 43 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2qwz h GLU 43 CO -0.05 0.05 -0.27 0.00 -2.18 0.00 0.00 179.01 176.56 2qwz h ARG 44 N 0.00 0.17 -6.22 1.92 2.47 -1.63 -3.48 114.38 107.60 2qwz h ARG 44 Ca -0.00 -0.05 -0.44 0.00 -1.26 0.00 0.00 59.98 58.22 2qwz h ARG 44 Cb 0.30 -0.01 0.03 0.00 -1.65 0.00 0.00 29.97 28.64 2qwz h ARG 44 CO 0.01 0.43 -0.87 0.72 0.56 0.00 0.00 179.97 180.82 2qwz n HIS 45 N -4.16 -1.85 -2.28 3.04 8.25 -0.95 -4.97 115.22 112.31 2qwz n HIS 45 Ca -0.01 0.74 -0.30 0.00 -0.26 0.00 0.00 57.72 57.89 2qwz n HIS 45 Cb 0.36 -4.00 -0.00 0.00 1.12 0.00 0.00 29.99 27.47 2qwz n HIS 45 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qwz s LEU 46 N -6.68 3.46 0.72 2.41 1.43 -1.26 -5.05 118.68 113.70 2qwz s LEU 46 Ca 0.11 1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 2qwz s LEU 46 Cb -0.03 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 41.99 2qwz s LEU 46 CO 0.84 -0.70 1.07 -2.11 0.23 0.00 0.00 176.35 175.68 2qwz n ARG 47 N -2.38 0.58 -1.75 1.70 -4.01 -1.26 -4.87 116.66 104.68 2qwz n ARG 47 Ca 0.04 0.26 -0.42 0.00 -1.04 0.00 0.00 57.85 56.69 2qwz n ARG 47 Cb 0.54 -2.31 -0.02 0.00 -3.04 0.00 0.00 32.46 27.64 2qwz n ARG 47 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 2qwz s PRO 48 N -3.44 4.11 0.00 2.89 0.04 -1.26 -0.99 135.00 136.34 2qwz s PRO 48 Ca 0.75 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.40 2qwz s PRO 48 Cb -0.35 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2qwz s PRO 48 CO 0.48 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2qwz n GLY 49 N 2.24 0.66 3.85 0.56 0.00 -1.26 -5.04 105.19 106.19 2qwz n GLY 49 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2qwz n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qwz s GLY 50 N -1.98 2.01 -0.01 -0.02 0.00 -0.16 -4.91 107.32 102.26 2qwz s GLY 50 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.84 2qwz s GLY 50 CO 0.00 0.36 -0.08 -0.51 0.00 0.00 0.00 173.10 172.87 2qwz s THR 51 N -2.63 0.62 0.01 0.90 -4.23 -1.26 -3.86 115.64 105.20 2qwz s THR 51 Ca 0.57 -0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 2qwz s THR 51 Cb -0.10 -0.53 -0.15 0.00 1.34 0.00 0.00 72.50 73.06 2qwz s THR 51 CO 0.33 0.17 0.79 0.52 -0.54 0.00 0.00 174.62 175.90 2qwz n VAL 52 N 2.87 0.10 -1.92 2.29 0.31 -1.26 -4.92 118.33 115.81 2qwz n VAL 52 Ca -0.13 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 63.88 2qwz n VAL 52 Cb 0.57 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.58 2qwz n VAL 52 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qwz s SER 53 N -0.05 4.85 0.14 4.52 1.04 -1.26 -4.94 113.70 118.00 2qwz s SER 53 Ca 0.69 0.88 -0.18 0.00 0.48 0.00 0.00 55.95 57.82 2qwz s SER 53 Cb -0.96 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 63.68 2qwz s SER 53 CO 0.44 -1.69 1.75 1.23 0.98 0.00 0.00 173.24 175.94 2qwz h GLY 54 N -0.89 0.34 0.70 7.32 0.00 -2.05 -2.56 103.07 105.92 2qwz h GLY 54 Ca -0.46 -0.05 0.10 0.00 0.00 0.00 0.00 47.33 46.92 2qwz h GLY 54 CO 0.65 0.02 0.59 -2.55 0.00 0.00 0.00 176.54 175.25 2qwz h PRO 55 N 0.20 0.90 -1.31 4.80 0.11 -2.02 -0.60 132.00 134.08 2qwz h PRO 55 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2qwz h PRO 55 Cb 0.11 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.01 2qwz h PRO 55 CO -0.14 0.59 0.00 0.43 -0.21 0.00 0.00 178.00 178.67 2qwz n SER 56 N -4.54 0.82 0.00 -2.05 7.64 -0.97 -0.94 113.62 113.59 2qwz n SER 56 Ca 0.16 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.37 2qwz n SER 56 Cb 0.30 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2qwz n SER 56 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2qwz n PHE 58 N 0.70 0.00 -0.30 1.43 -0.00 -0.23 -1.49 117.46 117.57 2qwz n PHE 58 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 2qwz n PHE 58 Cb 0.14 0.00 0.13 0.00 -0.00 0.00 0.00 39.48 39.76 2qwz n PHE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qwz h ALA 59 N 0.00 1.25 -0.40 3.13 0.00 -1.30 -1.13 119.26 120.81 2qwz h ALA 59 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2qwz h ALA 59 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2qwz h ALA 59 CO 0.00 0.63 0.06 1.25 0.00 0.00 0.00 179.25 181.18 2qwz h LEU 60 N 1.20 0.64 -0.50 0.00 5.85 -1.54 -0.47 115.31 120.49 2qwz h LEU 60 Ca 0.31 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2qwz h LEU 60 Cb -0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2qwz h LEU 60 CO -0.05 0.75 0.22 0.00 -0.34 0.00 0.00 178.44 179.01 2qwz h ALA 61 N 0.92 0.65 0.01 1.25 0.00 -1.73 -1.21 119.26 119.15 2qwz h ALA 61 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qwz h ALA 61 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qwz h ALA 61 CO 0.01 0.24 -0.00 0.22 0.00 0.00 0.00 179.25 179.71 2qwz h ASP 62 N 0.67 -0.01 -0.33 0.00 1.82 -1.14 -2.43 116.42 115.00 2qwz h ASP 62 Ca 0.17 -0.35 -0.07 0.00 -0.39 0.00 0.00 57.03 56.40 2qwz h ASP 62 Cb 0.16 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 2qwz h ASP 62 CO -0.02 0.34 -0.01 1.62 -1.61 0.00 0.00 179.24 179.56 2qwz h VAL 63 N -0.36 1.23 0.19 2.25 3.04 -1.06 -0.61 116.25 120.92 2qwz h VAL 63 Ca -0.00 -0.94 -0.01 0.00 -1.01 0.00 0.00 66.70 64.74 2qwz h VAL 63 Cb 0.36 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2qwz h VAL 63 CO 0.00 0.33 -0.09 0.28 -1.01 0.00 0.00 177.57 177.08 2qwz h SER 64 N 0.65 -0.22 -0.31 3.17 0.02 -1.14 0.17 113.55 115.88 2qwz h SER 64 Ca 0.13 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.84 2qwz h SER 64 Cb 0.42 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2qwz h SER 64 CO 0.02 -0.07 -0.48 0.58 -1.14 0.00 0.00 176.83 175.74 2qwz h VAL 65 N -0.36 1.28 -0.57 2.27 2.07 -1.36 -2.39 116.25 117.19 2qwz h VAL 65 Ca -0.03 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 65.88 2qwz h VAL 65 Cb 0.27 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2qwz h VAL 65 CO 0.04 0.54 0.32 0.22 0.02 0.00 0.00 177.57 178.71 2qwz h TYR 66 N 0.66 0.59 -0.66 1.57 3.20 -1.05 -0.90 116.97 120.38 2qwz h TYR 66 Ca 0.03 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2qwz h TYR 66 Cb 1.08 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.12 2qwz h TYR 66 CO 0.07 0.30 0.37 0.00 -1.64 0.00 0.00 178.16 177.26 2qwz h ALA 67 N 1.29 0.89 -0.16 1.82 0.00 -0.55 -0.47 119.26 122.07 2qwz h ALA 67 Ca 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2qwz h ALA 67 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qwz h ALA 67 CO -0.15 0.04 -0.40 1.25 0.00 0.00 0.00 179.25 180.00 2qwz h LEU 68 N 0.68 0.38 -0.20 0.00 5.85 -0.87 0.56 115.31 121.71 2qwz h LEU 68 Ca 0.30 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2qwz h LEU 68 Cb 0.19 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2qwz h LEU 68 CO -0.18 0.74 0.06 0.58 -0.34 0.00 0.00 178.44 179.29 2qwz h VAL 69 N 0.30 1.20 -0.55 1.05 2.07 -0.84 -2.94 116.25 116.54 2qwz h VAL 69 Ca 0.03 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2qwz h VAL 69 Cb 0.84 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2qwz h VAL 69 CO 0.07 0.20 0.17 -0.07 0.02 0.00 0.00 177.57 177.96 2qwz h LEU 70 N 0.15 0.77 -1.61 2.57 3.38 -0.75 -0.32 115.31 119.50 2qwz h LEU 70 Ca 0.06 -0.12 0.21 0.00 0.09 0.00 0.00 57.88 58.12 2qwz h LEU 70 Cb 0.25 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2qwz h LEU 70 CO -0.00 0.73 0.59 0.00 0.09 0.00 0.00 178.44 179.85 2qwz h ALA 71 N 1.38 2.32 0.02 1.53 0.00 0.30 0.13 119.26 124.93 2qwz h ALA 71 Ca 0.18 0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.74 2qwz h ALA 71 Cb 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2qwz h ALA 71 CO -0.01 -0.60 -2.27 0.72 0.00 0.00 0.00 179.25 177.09 2qwz n HIS 72 N -4.47 0.31 0.36 0.00 8.25 -0.96 -1.46 115.22 117.25 2qwz n HIS 72 Ca 0.19 0.09 0.11 0.00 -0.26 0.00 0.00 57.72 57.85 2qwz n HIS 72 Cb 0.74 -1.05 0.03 0.00 1.12 0.00 0.00 29.99 30.82 2qwz n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qwz n LEU 73 N -3.06 0.65 0.00 2.41 4.77 -0.17 -4.45 117.00 117.15 2qwz n LEU 73 Ca -0.35 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2qwz n LEU 73 Cb 1.07 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 2qwz n LEU 73 CO 0.38 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2qwz n GLY 74 N 1.29 -1.62 0.10 -0.72 0.00 0.42 -4.07 105.19 100.60 2qwz n GLY 74 Ca 0.01 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 2qwz n GLY 74 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qwz h ARG 75 N 0.00 0.21 -0.64 1.61 3.08 -1.99 -3.28 114.38 113.38 2qwz h ARG 75 Ca 0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 2qwz h ARG 75 Cb 0.00 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 2qwz h ARG 75 CO 0.00 0.20 -0.32 0.39 -1.07 0.00 0.00 179.97 179.18 2qwz n GLU 76 N -4.94 -0.22 -1.96 0.04 1.02 -1.26 -4.47 120.64 108.85 2qwz n GLU 76 Ca -0.04 0.98 -0.42 0.00 -0.02 0.00 0.00 57.16 57.66 2qwz n GLU 76 Cb 0.06 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 2qwz n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qwz s ALA 77 N -5.46 3.64 -1.01 0.62 0.00 -1.24 -4.94 121.76 113.37 2qwz s ALA 77 Ca -0.08 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 2qwz s ALA 77 Cb 0.10 -3.72 0.30 0.00 0.00 0.00 0.00 23.12 19.79 2qwz s ALA 77 CO 0.43 -1.25 1.34 1.28 0.00 0.00 0.00 175.76 177.55 2qwz n LEU 78 N 6.39 5.94 -4.75 0.00 4.77 -1.26 -4.95 117.00 123.14 2qwz n LEU 78 Ca 0.17 -5.24 -0.41 0.00 -0.03 0.00 0.00 56.01 50.50 2qwz n LEU 78 Cb 0.42 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 2qwz n LEU 78 CO 0.63 1.72 0.84 0.00 -1.33 0.00 0.00 177.39 179.26 2qwz s ALA 79 N -2.63 3.42 -0.08 -1.18 0.00 -1.26 -4.40 121.76 115.63 2qwz s ALA 79 Ca 0.32 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2qwz s ALA 79 Cb 0.05 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2qwz s ALA 79 CO 0.07 -0.29 -0.14 0.08 0.00 0.00 0.00 175.76 175.48 2qwz s VAL 80 N -0.48 1.34 0.07 0.00 1.01 -0.61 -4.96 120.40 116.77 2qwz s VAL 80 Ca 0.49 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 2qwz s VAL 80 Cb -0.32 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 2qwz s VAL 80 CO 0.39 0.40 1.61 -0.89 0.00 0.00 0.00 175.10 176.61 2qwz s THR 81 N 0.69 3.06 -0.11 3.92 2.01 -1.26 -0.15 115.64 123.80 2qwz s THR 81 Ca -0.13 0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.48 2qwz s THR 81 Cb -0.16 -3.36 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 2qwz s THR 81 CO 0.03 0.00 -0.03 0.35 -0.69 0.00 0.00 174.62 174.29 2qwz n THR 82 N 4.62 0.72 -3.89 -0.82 -2.24 0.37 -4.88 114.28 108.16 2qwz n THR 82 Ca 0.15 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2qwz n THR 82 Cb 0.41 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 2qwz n THR 82 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qwz s ASN 83 N -4.67 0.05 -0.05 3.42 3.84 -1.05 -5.01 114.94 111.47 2qwz s ASN 83 Ca -0.10 -0.21 -0.03 0.00 0.21 0.00 0.00 52.86 52.73 2qwz s ASN 83 Cb 0.04 0.19 0.03 0.00 -0.55 0.00 0.00 41.25 40.95 2qwz s ASN 83 CO 0.37 -0.31 0.13 0.00 -2.79 0.00 0.00 177.10 174.50 2qwz s ALA 84 N -1.21 -0.26 0.06 1.71 0.00 -1.26 -0.60 121.76 120.20 2qwz s ALA 84 Ca -0.13 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.37 2qwz s ALA 84 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2qwz s ALA 84 CO 0.01 -0.11 -0.10 -1.54 0.00 0.00 0.00 175.76 174.02 2qwz s SER 85 N 0.67 1.18 -0.04 0.00 1.04 -0.57 -4.98 113.70 110.99 2qwz s SER 85 Ca -0.05 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 2qwz s SER 85 Cb -0.07 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.09 2qwz s SER 85 CO -0.03 -0.19 0.09 -0.76 0.98 0.00 0.00 173.24 173.33 2qwz s LEU 86 N -1.81 1.01 -0.16 2.42 1.02 -1.26 -1.88 118.68 118.02 2qwz s LEU 86 Ca -0.05 0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 2qwz s LEU 86 Cb -0.08 0.17 -0.02 0.00 0.02 0.00 0.00 46.19 46.27 2qwz s LEU 86 CO 0.01 -0.12 -0.07 -1.81 0.02 0.00 0.00 176.35 174.37 2qwz s ASP 87 N 0.97 4.43 -0.05 2.29 1.01 0.88 -4.99 116.67 121.21 2qwz s ASP 87 Ca -0.08 -0.24 -0.01 0.00 0.71 0.00 0.00 52.55 52.93 2qwz s ASP 87 Cb -0.11 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 2qwz s ASP 87 CO -0.04 0.14 0.02 -0.36 0.21 0.00 0.00 175.17 175.14 2qwz s PHE 88 N 0.53 3.18 0.65 4.23 0.08 -1.26 -1.29 117.98 124.10 2qwz s PHE 88 Ca -0.05 0.19 -0.17 0.00 0.12 0.00 0.00 56.93 57.01 2qwz s PHE 88 Cb -0.15 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2qwz s PHE 88 CO 0.03 0.50 0.96 0.54 -0.10 0.00 0.00 175.22 177.15 2qwz n ARG 90 N 1.77 0.76 -2.44 0.44 1.74 -0.02 -5.01 116.66 113.90 2qwz n ARG 90 Ca -0.17 0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 2qwz n ARG 90 Cb 0.53 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 29.76 2qwz n ARG 90 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2qwz s LYS 91 N -2.97 4.33 0.61 5.56 0.00 -1.26 -4.65 119.74 121.37 2qwz s LYS 91 Ca 0.76 1.69 -0.19 0.00 0.00 0.00 0.00 55.97 58.23 2qwz s LYS 91 Cb -0.39 -3.58 -0.03 0.00 0.00 0.00 0.00 37.83 33.83 2qwz s LYS 91 CO 0.47 -0.49 1.24 -2.14 0.00 0.00 0.00 175.35 174.43 2qwz s PRO 92 N 2.38 2.84 -0.14 1.78 0.02 -1.26 -4.93 135.00 135.69 2qwz s PRO 92 Ca 0.56 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 63.19 2qwz s PRO 92 Cb -0.25 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 2qwz s PRO 92 CO 0.21 -1.33 1.01 -2.00 -0.33 0.00 0.00 177.00 174.57 2qwz s GLU 93 N -3.34 4.38 0.22 5.54 2.56 -1.26 -4.92 118.70 121.87 2qwz s GLU 93 Ca 0.79 1.38 -0.32 0.00 0.00 0.00 0.00 54.97 56.82 2qwz s GLU 93 Cb -0.33 -3.57 -0.12 0.00 2.00 0.00 0.00 34.13 32.11 2qwz s GLU 93 CO 0.35 -0.39 1.68 0.45 -0.56 0.00 0.00 175.26 176.79 2qwz n SER 94 N 5.34 3.85 0.00 -1.70 2.88 -1.26 -2.31 113.62 120.42 2qwz n SER 94 Ca 0.09 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2qwz n SER 94 Cb 0.48 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2qwz n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qwz n GLY 95 N 3.56 1.13 3.93 0.46 0.00 -1.25 -4.97 105.19 108.05 2qwz n GLY 95 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2qwz n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qwz s ARG 96 N -0.56 3.49 0.62 1.61 1.81 -0.98 -4.94 118.95 120.00 2qwz s ARG 96 Ca 0.00 -0.43 -0.17 0.00 -1.72 0.00 0.00 55.73 53.41 2qwz s ARG 96 Cb 0.00 -2.89 -0.02 0.00 -0.45 0.00 0.00 34.95 31.59 2qwz s ARG 96 CO 0.00 0.45 1.13 -0.51 -0.68 0.00 0.00 175.30 175.69 2qwz s ASP 97 N -3.15 5.22 -0.15 0.23 1.01 -1.26 -4.69 116.67 113.88 2qwz s ASP 97 Ca 0.37 2.11 -0.09 0.00 0.71 0.00 0.00 52.55 55.65 2qwz s ASP 97 Cb -0.11 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2qwz s ASP 97 CO 0.29 -1.56 0.16 -0.76 0.21 0.00 0.00 175.17 173.51 2qwz s LEU 98 N -4.51 4.32 -0.02 1.23 1.02 -1.12 -0.50 118.68 119.10 2qwz s LEU 98 Ca 0.70 0.41 0.03 0.00 0.02 0.00 0.00 54.13 55.30 2qwz s LEU 98 Cb -0.23 -2.13 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 2qwz s LEU 98 CO 0.37 0.30 -0.11 -0.76 0.02 0.00 0.00 176.35 176.17 2qwz s LEU 99 N -0.42 2.96 -0.27 1.79 1.43 0.17 -0.35 118.68 123.99 2qwz s LEU 99 Ca 0.13 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2qwz s LEU 99 Cb -0.12 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2qwz s LEU 99 CO 0.02 0.32 -0.08 -0.83 0.23 0.00 0.00 176.35 176.01 2qwz s GLY 100 N -1.07 1.67 -0.47 -3.19 0.00 -1.26 -0.56 107.32 102.43 2qwz s GLY 100 Ca 0.14 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 42.82 2qwz s GLY 100 CO 0.04 0.69 0.54 1.20 0.00 0.00 0.00 173.10 175.57 2qwz s GLN 101 N 1.09 3.11 -0.07 2.90 -0.21 -0.18 -4.00 119.66 122.31 2qwz s GLN 101 Ca -0.06 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.47 2qwz s GLN 101 Cb -0.20 -4.05 -0.02 0.00 1.00 0.00 0.00 33.01 29.73 2qwz s GLN 101 CO -0.06 -1.07 -0.13 0.00 -2.12 0.00 0.00 175.29 171.91 2qwz s ALA 102 N 2.36 2.71 -0.02 6.09 0.00 -0.43 -1.57 121.76 130.90 2qwz s ALA 102 Ca 0.13 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2qwz s ALA 102 Cb -0.19 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 2qwz s ALA 102 CO 0.12 0.50 -0.17 -0.98 0.00 0.00 0.00 175.76 175.23 2qwz s ARG 103 N -0.52 1.44 -0.13 0.00 1.70 -0.46 -1.73 118.95 119.24 2qwz s ARG 103 Ca 0.07 -0.62 -0.24 0.00 -0.47 0.00 0.00 55.73 54.47 2qwz s ARG 103 Cb -0.12 -1.37 -0.02 0.00 -0.57 0.00 0.00 34.95 32.87 2qwz s ARG 103 CO 0.02 0.36 0.76 -1.17 -1.08 0.00 0.00 175.30 174.19 2qwz s LEU 104 N -0.36 4.22 -0.08 -1.89 2.96 -0.86 -1.44 118.68 121.23 2qwz s LEU 104 Ca 0.06 1.15 0.17 0.00 -0.22 0.00 0.00 54.13 55.28 2qwz s LEU 104 Cb -0.07 -3.15 -0.25 0.00 0.50 0.00 0.00 46.19 43.22 2qwz s LEU 104 CO -0.00 -0.28 0.26 0.18 -1.32 0.00 0.00 176.35 175.18 2qwz n LEU 105 N 4.68 0.00 -3.69 -0.68 4.77 0.23 -4.96 117.00 117.34 2qwz n LEU 105 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 2qwz n LEU 105 Cb 0.50 0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.66 2qwz n LEU 105 CO 0.47 0.17 0.14 -0.75 -1.33 0.00 0.00 177.39 176.09 2qwz s LYS 106 N -2.90 0.50 -0.47 3.23 2.20 -1.06 -4.95 119.74 116.29 2qwz s LYS 106 Ca -0.07 0.81 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 2qwz s LYS 106 Cb 0.09 0.11 0.15 0.00 -1.51 0.00 0.00 37.83 36.67 2qwz s LYS 106 CO 0.72 -0.12 0.30 -1.17 -0.36 0.00 0.00 175.35 174.71 2qwz s LEU 107 N 1.00 2.67 0.58 5.43 2.96 -1.26 -0.96 118.68 129.10 2qwz s LEU 107 Ca -0.06 -2.88 -0.02 0.00 -0.22 0.00 0.00 54.13 50.95 2qwz s LEU 107 Cb -0.06 -0.97 0.03 0.00 0.50 0.00 0.00 46.19 45.69 2qwz s LEU 107 CO -0.09 -0.22 0.84 -0.83 -1.32 0.00 0.00 176.35 174.73 2qwz s GLY 108 N 0.06 1.72 0.35 7.98 0.00 0.16 -4.98 107.32 112.61 2qwz s GLY 108 Ca 0.22 -1.11 0.16 0.00 0.00 0.00 0.00 44.72 44.00 2qwz s GLY 108 CO -0.06 -0.81 1.65 3.21 0.00 0.00 0.00 173.10 177.09 2qwz h ARG 109 N -0.08 0.26 0.00 2.90 3.08 -2.00 -3.33 114.38 115.21 2qwz h ARG 109 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2qwz h ARG 109 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2qwz h ARG 109 CO 0.56 0.17 -0.02 0.25 -1.07 0.00 0.00 179.97 179.86 2qwz n THR 110 N -5.05 0.00 -3.81 2.04 -2.24 -1.26 -4.76 114.28 99.20 2qwz n THR 110 Ca 0.33 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 2qwz n THR 110 Cb 1.05 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 70.10 2qwz n THR 110 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qwz s LEU 111 N -0.87 1.37 -0.02 3.22 1.02 -1.25 -1.31 118.68 120.83 2qwz s LEU 111 Ca 0.00 0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.39 2qwz s LEU 111 Cb 0.00 0.23 -0.02 0.00 0.02 0.00 0.00 46.19 46.42 2qwz s LEU 111 CO 0.00 -0.07 -0.24 0.00 0.02 0.00 0.00 176.35 176.05 2qwz s ALA 112 N 0.48 2.23 -0.02 4.21 0.00 -0.41 0.36 121.76 128.61 2qwz s ALA 112 Ca -0.04 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2qwz s ALA 112 Cb -0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2qwz s ALA 112 CO -0.02 0.53 -0.15 0.08 0.00 0.00 0.00 175.76 176.20 2qwz s VAL 113 N -0.63 1.22 0.01 0.00 1.01 -0.13 -1.70 120.40 120.18 2qwz s VAL 113 Ca 0.10 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2qwz s VAL 113 Cb -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2qwz s VAL 113 CO -0.01 0.35 0.23 -0.83 0.00 0.00 0.00 175.10 174.84 2qwz s GLY 114 N -0.21 -0.04 0.36 4.51 0.00 -1.26 -0.60 107.32 110.08 2qwz s GLY 114 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.78 2qwz s GLY 114 CO 0.00 -0.19 0.06 0.51 0.00 0.00 0.00 173.10 173.49 2qwz s ASP 115 N -1.62 2.75 -0.23 1.64 1.47 -0.52 -4.42 116.67 115.74 2qwz s ASP 115 Ca -0.11 -1.45 -0.21 0.00 1.18 0.00 0.00 52.55 51.96 2qwz s ASP 115 Cb -0.04 0.03 0.06 0.00 -0.34 0.00 0.00 42.92 42.62 2qwz s ASP 115 CO 0.01 -0.66 0.61 -0.51 0.68 0.00 0.00 175.17 175.30 2qwz s ILE 116 N -3.18 -0.00 -0.16 2.11 2.07 0.46 -1.36 121.20 121.14 2qwz s ILE 116 Ca 0.32 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.51 2qwz s ILE 116 Cb 0.07 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 2qwz s ILE 116 CO 0.15 0.00 0.00 -0.76 -1.91 0.00 0.00 174.94 172.42 2qwz s LEU 117 N 0.43 3.49 -0.18 8.50 1.43 -0.61 -1.07 118.68 130.66 2qwz s LEU 117 Ca -0.01 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2qwz s LEU 117 Cb -0.04 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2qwz s LEU 117 CO -0.01 0.19 0.06 -0.76 0.23 0.00 0.00 176.35 176.06 2qwz s LEU 118 N 0.26 3.79 -0.01 1.79 1.02 -0.18 -1.01 118.68 124.34 2qwz s LEU 118 Ca -0.00 0.07 0.07 0.00 0.02 0.00 0.00 54.13 54.29 2qwz s LEU 118 Cb -0.13 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 2qwz s LEU 118 CO 0.02 0.18 -0.22 -0.36 0.02 0.00 0.00 176.35 175.99 2qwz s PHE 119 N 0.36 1.95 -0.07 0.29 0.40 0.27 0.25 117.98 121.44 2qwz s PHE 119 Ca 0.03 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.69 2qwz s PHE 119 Cb -0.12 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 2qwz s PHE 119 CO 0.00 -0.02 1.29 -1.12 0.70 0.00 0.00 175.22 176.07 2qwz s SER 120 N -0.56 6.95 0.14 1.36 0.01 -1.26 0.43 113.70 120.78 2qwz s SER 120 Ca 0.08 1.89 -0.35 0.00 1.31 0.00 0.00 55.95 58.88 2qwz s SER 120 Cb -0.08 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.45 2qwz s SER 120 CO -0.01 -0.68 1.48 1.21 0.41 0.00 0.00 173.24 175.66 2qwz n GLU 121 N 5.66 1.81 -0.50 12.44 2.13 0.34 -4.69 120.64 137.83 2qwz n GLU 121 Ca 0.12 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2qwz n GLU 121 Cb 0.45 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2qwz n GLU 121 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qwz n GLY 122 N 3.03 0.77 0.00 8.31 0.00 -1.26 -4.85 105.19 111.19 2qwz n GLY 122 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qwz n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qwz n GLU 124 N -0.16 0.00 -2.60 1.61 -0.58 -1.26 -5.23 120.64 112.42 2qwz n GLU 124 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2qwz n GLU 124 Cb 0.11 -0.43 -0.03 0.00 -0.57 0.00 0.00 31.44 30.52 2qwz n GLU 124 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qwz s ALA 125 N -1.00 3.39 0.44 0.62 0.00 -1.26 -5.01 121.76 118.94 2qwz s ALA 125 Ca 0.00 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 2qwz s ALA 125 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 2qwz s ALA 125 CO 0.00 -0.57 1.35 -1.25 0.00 0.00 0.00 175.76 175.28 2qwz s PRO 126 N 1.82 3.75 0.03 0.00 0.04 -1.26 -4.76 135.00 134.61 2qwz s PRO 126 Ca 0.52 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2qwz s PRO 126 Cb -0.22 -2.64 -0.26 0.00 0.04 0.00 0.00 34.50 31.43 2qwz s PRO 126 CO 0.22 -0.70 0.96 -0.39 0.04 0.00 0.00 177.00 177.13 2qwz h VAL 127 N 2.24 1.28 -3.76 -0.36 -1.51 -0.47 -3.38 116.25 110.29 2qwz h VAL 127 Ca -0.50 -2.94 -0.09 0.00 -1.23 0.00 0.00 66.70 61.94 2qwz h VAL 127 Cb 1.26 2.77 -0.13 0.00 -2.13 0.00 0.00 31.29 33.06 2qwz h VAL 127 CO 0.61 0.82 -0.29 0.00 -1.23 0.00 0.00 177.57 177.49 2qwz s ALA 128 N -2.64 -0.25 0.06 5.19 0.00 -1.14 -0.84 121.76 122.15 2qwz s ALA 128 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2qwz s ALA 128 Cb 0.08 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2qwz s ALA 128 CO 0.85 -0.60 -0.05 -0.98 0.00 0.00 0.00 175.76 174.98 2qwz s ARG 129 N -3.90 0.65 -0.08 0.00 1.70 -0.41 -1.01 118.95 115.90 2qwz s ARG 129 Ca 0.10 -1.17 -0.18 0.00 -0.47 0.00 0.00 55.73 54.02 2qwz s ARG 129 Cb 0.03 0.02 0.04 0.00 -0.57 0.00 0.00 34.95 34.48 2qwz s ARG 129 CO -0.06 -0.06 0.42 0.45 -1.08 0.00 0.00 175.30 174.97 2qwz s SER 130 N -2.73 -0.36 0.00 -2.89 0.15 -0.23 -0.08 113.70 107.55 2qwz s SER 130 Ca 0.05 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2qwz s SER 130 Cb 0.04 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2qwz s SER 130 CO -0.07 -0.37 0.00 0.41 1.20 0.00 0.00 173.24 174.42 2qwz n THR 131 N 1.79 0.00 -3.64 6.45 -1.04 -0.79 -0.40 114.28 116.65 2qwz n THR 131 Ca -0.18 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.77 2qwz n THR 131 Cb 0.56 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 68.78 2qwz n THR 131 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2qwz s THR 133 N -0.43 0.00 -0.00 12.58 2.01 0.23 -1.51 115.64 128.52 2qwz s THR 133 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 2qwz s THR 133 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2qwz s THR 133 CO 0.00 0.00 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.51 2qwz s TYR 134 N 0.32 0.97 0.09 4.92 1.51 -0.69 -0.48 117.35 124.00 2qwz s TYR 134 Ca 0.03 -0.21 -0.07 0.00 -1.01 0.00 0.00 57.07 55.81 2qwz s TYR 134 Cb -0.05 -0.62 -0.05 0.00 -0.11 0.00 0.00 41.96 41.13 2qwz s TYR 134 CO -0.10 -0.01 0.36 -1.54 -1.11 0.00 0.00 175.55 173.15 2qwz s SER 135 N -0.40 6.54 -0.31 2.29 1.04 0.79 -1.29 113.70 122.37 2qwz s SER 135 Ca 0.03 0.65 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 2qwz s SER 135 Cb -0.05 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 64.00 2qwz s SER 135 CO -0.00 0.13 0.03 -0.63 0.98 0.00 0.00 173.24 173.75 2qwz s ILE 136 N -1.50 3.18 1.17 -1.02 1.01 -0.43 -1.57 121.20 122.05 2qwz s ILE 136 Ca 0.36 -1.33 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 2qwz s ILE 136 Cb -0.13 -2.83 0.20 0.00 0.01 0.00 0.00 42.46 39.72 2qwz s ILE 136 CO 0.21 -0.13 0.47 -2.65 0.00 0.00 0.00 174.94 172.83 2qwz n PRO 137 N 4.67 -2.19 0.00 2.79 -0.02 -1.26 -4.50 135.00 134.49 2qwz n PRO 137 Ca -0.13 -0.62 0.15 0.00 -2.02 0.00 0.00 63.50 60.88 2qwz n PRO 137 Cb 0.44 -1.90 0.64 0.00 -0.02 0.00 0.00 33.50 32.66 2qwz n PRO 137 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13