#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwz s LEU -4 N 0.00 4.14 -0.08 1.20 2.96 -1.26 -5.10 118.68 120.55 2qwz s LEU -4 Ca 0.00 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.16 2qwz s LEU -4 Cb 0.00 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2qwz s LEU -4 CO 0.00 0.32 0.15 -0.47 -1.32 0.00 0.00 176.35 175.04 2qwz s TYR -3 N -1.14 3.57 0.10 5.38 5.04 -1.26 -4.98 117.35 124.05 2qwz s TYR -3 Ca 0.21 0.45 -0.14 0.00 -2.44 0.00 0.00 57.07 55.15 2qwz s TYR -3 Cb -0.12 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.32 2qwz s TYR -3 CO 0.11 0.70 0.33 -0.59 -1.34 0.00 0.00 175.55 174.76 2qwz s PHE -2 N -1.14 -0.10 -0.09 4.97 -0.71 -1.26 -5.02 117.98 114.62 2qwz s PHE -2 Ca 0.20 -0.20 -0.27 0.00 -1.04 0.00 0.00 56.93 55.61 2qwz s PHE -2 Cb -0.12 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.82 2qwz s PHE -2 CO 0.10 -0.63 0.89 -0.65 -1.34 0.00 0.00 175.22 173.59 2qwz s GLN -1 N -3.57 4.42 0.00 1.99 1.11 -1.26 -5.01 119.66 117.34 2qwz s GLN -1 Ca 0.02 1.18 0.00 0.00 0.01 0.00 0.00 55.36 56.57 2qwz s GLN -1 Cb 0.02 -3.52 0.00 0.00 -1.01 0.00 0.00 33.01 28.51 2qwz s GLN -1 CO -0.10 -0.19 0.00 0.41 0.01 0.00 0.00 175.29 175.42 2qwz n GLY 0 N 3.16 1.03 1.79 3.09 0.00 -1.26 -4.30 105.19 108.70 2qwz n GLY 0 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2qwz n GLY 0 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qwz n GLU 2 N 2.13 -3.72 -2.80 1.61 4.07 -1.26 -4.97 120.64 115.70 2qwz n GLU 2 Ca 0.00 2.69 -0.40 0.00 -0.06 0.00 0.00 57.16 59.39 2qwz n GLU 2 Cb 0.00 -3.12 -0.06 0.00 -0.06 0.00 0.00 31.44 28.20 2qwz n GLU 2 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2qwz s LEU 3 N -1.82 4.60 0.00 4.31 1.43 -1.26 -4.58 118.68 121.37 2qwz s LEU 3 Ca 0.00 1.84 0.21 0.00 -1.03 0.00 0.00 54.13 55.14 2qwz s LEU 3 Cb 0.00 -3.53 0.29 0.00 0.03 0.00 0.00 46.19 42.98 2qwz s LEU 3 CO 0.00 0.11 1.26 1.33 0.23 0.00 0.00 176.35 179.28 2qwz n VAL 4 N 1.85 0.31 -4.24 -1.59 0.24 0.50 -4.97 118.33 110.43 2qwz n VAL 4 Ca -0.02 -0.65 -0.20 0.00 -2.04 0.00 0.00 64.34 61.43 2qwz n VAL 4 Cb 0.48 1.15 -0.12 0.00 -1.47 0.00 0.00 33.84 33.88 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 -1.51 1.48 0.54 6.34 0.08 -1.16 -5.01 117.98 118.74 2qwz s PHE 5 Ca 0.30 -0.49 0.09 0.00 0.12 0.00 0.00 56.93 56.96 2qwz s PHE 5 Cb 0.19 -0.79 0.07 0.00 -0.57 0.00 0.00 43.02 41.92 2qwz s PHE 5 CO 0.27 0.15 0.75 0.16 -0.10 0.00 0.00 175.22 176.45 2qwz s ASP 6 N -2.16 5.21 0.12 1.36 1.47 -1.26 -4.92 116.67 116.50 2qwz s ASP 6 Ca 0.06 -0.76 -0.25 0.00 1.18 0.00 0.00 52.55 52.78 2qwz s ASP 6 Cb -0.07 0.10 -0.05 0.00 -0.34 0.00 0.00 42.92 42.55 2qwz s ASP 6 CO 0.03 -1.23 1.64 0.50 0.68 0.00 0.00 175.17 176.80 2qwz h LYS 7 N 0.27 -0.35 -0.48 2.11 3.64 -1.99 0.11 116.57 119.88 2qwz h LYS 7 Ca -0.32 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 2qwz h LYS 7 Cb 1.29 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2qwz h LYS 7 CO 0.42 -0.23 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.90 2qwz h ASP 8 N -0.36 0.79 0.41 4.20 3.32 -1.98 0.15 116.42 122.95 2qwz h ASP 8 Ca 0.06 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2qwz h ASP 8 Cb 0.44 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2qwz h ASP 8 CO -0.21 0.88 -0.35 1.23 -1.72 0.00 0.00 179.24 179.07 2qwz h GLY 9 N 0.98 0.00 0.54 2.75 0.00 -1.90 -1.80 103.07 103.64 2qwz h GLY 9 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 2qwz h GLY 9 CO 0.02 0.00 -0.44 -2.00 0.00 0.00 0.00 176.54 174.13 2qwz h LEU 10 N 0.00 0.33 -1.00 3.11 5.85 -0.34 -2.16 115.31 121.11 2qwz h LEU 10 Ca -0.00 -0.84 0.20 0.00 0.84 0.00 0.00 57.88 58.08 2qwz h LEU 10 Cb 0.65 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.46 2qwz h LEU 10 CO 0.05 1.13 0.60 0.28 -0.34 0.00 0.00 178.44 180.16 2qwz h SER 11 N -0.43 0.75 -0.10 1.25 0.02 -0.64 -0.65 113.55 113.75 2qwz h SER 11 Ca -0.06 0.11 -0.22 0.00 -0.84 0.00 0.00 61.79 60.78 2qwz h SER 11 Cb 1.23 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.75 2qwz h SER 11 CO 0.08 0.23 -0.76 0.00 -1.14 0.00 0.00 176.83 175.24 2qwz h ALA 12 N 1.67 0.36 0.00 3.77 0.00 -1.36 -2.77 119.26 120.93 2qwz h ALA 12 Ca 0.60 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2qwz h ALA 12 Cb 0.98 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2qwz h ALA 12 CO -0.41 0.70 -0.51 -0.92 0.00 0.00 0.00 179.25 178.10 2qwz h TYR 13 N 0.51 0.00 0.04 0.00 3.20 -0.79 -2.53 116.97 117.40 2qwz h TYR 13 Ca -0.05 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.58 2qwz h TYR 13 Cb 1.38 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.66 2qwz h TYR 13 CO 0.08 0.51 -1.04 -0.07 -1.64 0.00 0.00 178.16 176.00 2qwz h LEU 14 N 0.00 0.59 -0.91 2.82 3.38 -1.13 -2.30 115.31 117.77 2qwz h LEU 14 Ca -0.01 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 2qwz h LEU 14 Cb 0.96 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2qwz h LEU 14 CO 0.07 1.33 -0.51 -0.33 0.09 0.00 0.00 178.44 179.08 2qwz h GLU 15 N 0.22 0.09 0.59 1.13 5.08 -1.50 0.12 114.58 120.30 2qwz h GLU 15 Ca -0.11 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2qwz h GLU 15 Cb 1.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.96 2qwz h GLU 15 CO 0.18 0.58 -0.28 1.49 -1.00 0.00 0.00 179.01 179.98 2qwz h GLU 16 N 0.07 -0.76 -0.12 2.33 4.81 -1.45 -3.01 114.58 116.46 2qwz h GLU 16 Ca -0.00 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2qwz h GLU 16 Cb 0.93 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2qwz h GLU 16 CO 0.07 -0.51 -0.07 0.28 -0.73 0.00 0.00 179.01 178.05 2qwz h VAL 17 N -0.97 1.12 -2.95 0.32 2.07 -1.47 -3.37 116.25 111.00 2qwz h VAL 17 Ca -0.08 -0.53 -0.61 0.00 0.82 0.00 0.00 66.70 66.30 2qwz h VAL 17 Cb 0.60 1.12 -0.40 0.00 -1.52 0.00 0.00 31.29 31.09 2qwz h VAL 17 CO 0.13 0.16 -0.74 -0.36 0.02 0.00 0.00 177.57 176.78 2qwz s PHE 18 N -4.86 1.99 0.46 1.57 0.08 0.42 -4.98 117.98 112.66 2qwz s PHE 18 Ca -0.05 -2.45 0.13 0.00 0.12 0.00 0.00 56.93 54.68 2qwz s PHE 18 Cb 0.16 -1.86 1.03 0.00 -0.57 0.00 0.00 43.02 41.78 2qwz s PHE 18 CO 0.71 -0.77 2.03 -1.35 -0.10 0.00 0.00 175.22 175.74 2qwz h PRO 19 N 6.60 0.08 -0.11 0.24 0.11 -1.70 -2.62 132.00 134.60 2qwz h PRO 19 Ca 0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2qwz h PRO 19 Cb 0.92 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2qwz h PRO 19 CO 0.48 0.18 -0.01 1.96 -0.21 0.00 0.00 178.00 180.40 2qwz h GLN 20 N 0.08 0.16 0.00 1.05 7.50 -1.94 -3.12 115.11 118.84 2qwz h GLN 20 Ca 0.02 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 2qwz h GLN 20 Cb 0.21 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 2qwz h GLN 20 CO 0.01 0.18 -0.47 -0.84 -1.50 0.00 0.00 178.83 176.22 2qwz h ILE 21 N 0.16 1.34 -2.15 2.54 3.07 -1.80 -3.42 117.51 117.24 2qwz h ILE 21 Ca 0.04 -1.60 -0.59 0.00 1.55 0.00 0.00 64.86 64.26 2qwz h ILE 21 Cb 0.12 1.86 0.02 0.00 -0.27 0.00 0.00 36.82 38.56 2qwz h ILE 21 CO 0.00 0.46 1.10 0.00 -1.05 0.00 0.00 178.15 178.66 2qwz n GLN 22 N -3.98 2.36 0.00 0.16 1.13 -1.18 -0.55 117.38 115.31 2qwz n GLN 22 Ca -0.02 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 2qwz n GLN 22 Cb 0.49 -2.73 0.00 0.00 0.11 0.00 0.00 30.24 28.11 2qwz n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qwz n GLY 23 N 4.33 2.65 0.37 1.08 0.00 -1.26 -4.87 105.19 107.50 2qwz n GLY 23 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 2qwz n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qwz n GLU 24 N -0.31 0.40 -4.65 1.61 2.13 0.29 -4.69 120.64 115.42 2qwz n GLU 24 Ca 0.00 0.16 -0.33 0.00 0.66 0.00 0.00 57.16 57.65 2qwz n GLU 24 Cb 0.00 -1.19 -0.14 0.00 0.27 0.00 0.00 31.44 30.38 2qwz n GLU 24 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2qwz s PHE 25 N -2.34 2.83 0.04 4.31 0.08 -0.43 -0.09 117.98 122.38 2qwz s PHE 25 Ca -0.25 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.12 2qwz s PHE 25 Cb 0.09 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2qwz s PHE 25 CO 0.34 -0.26 -0.07 -1.54 -0.10 0.00 0.00 175.22 173.58 2qwz s SER 26 N 0.50 0.78 -0.35 1.36 1.04 -0.35 -4.64 113.70 112.04 2qwz s SER 26 Ca -0.08 -0.53 -0.27 0.00 0.48 0.00 0.00 55.95 55.55 2qwz s SER 26 Cb -0.16 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.02 2qwz s SER 26 CO 0.04 -0.21 0.97 -0.63 0.98 0.00 0.00 173.24 174.39 2qwz s ILE 27 N -1.35 4.57 0.10 -1.02 1.01 -1.26 0.21 121.20 123.46 2qwz s ILE 27 Ca -0.10 1.35 -0.13 0.00 0.00 0.00 0.00 60.65 61.77 2qwz s ILE 27 Cb -0.10 -4.35 -0.17 0.00 0.01 0.00 0.00 42.46 37.85 2qwz s ILE 27 CO 0.00 -0.52 1.28 0.44 0.00 0.00 0.00 174.94 176.15 2qwz h ASP 28 N 8.37 0.94 -5.03 3.58 3.32 -0.82 -3.48 116.42 123.30 2qwz h ASP 28 Ca -0.22 -0.65 -0.08 0.00 0.02 0.00 0.00 57.03 56.10 2qwz h ASP 28 Cb 1.07 -0.28 -0.17 0.00 0.22 0.00 0.00 39.33 40.17 2qwz h ASP 28 CO 0.99 1.45 -0.09 0.00 -1.72 0.00 0.00 179.24 179.88 2qwz s ALA 29 N -3.65 -1.06 -0.06 3.45 0.00 -1.08 -4.96 121.76 114.40 2qwz s ALA 29 Ca -0.10 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 2qwz s ALA 29 Cb 0.08 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.55 2qwz s ALA 29 CO 0.91 -0.44 0.13 -1.17 0.00 0.00 0.00 175.76 175.19 2qwz s LEU 30 N -1.90 0.78 0.19 0.00 2.96 -1.26 -1.34 118.68 118.11 2qwz s LEU 30 Ca -0.06 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2qwz s LEU 30 Cb -0.01 0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.95 2qwz s LEU 30 CO -0.01 -0.14 0.15 0.00 -1.32 0.00 0.00 176.35 175.02 2qwz s ALA 31 N 1.14 1.02 0.28 5.97 0.00 -0.12 -4.91 121.76 125.13 2qwz s ALA 31 Ca -0.09 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2qwz s ALA 31 Cb -0.12 1.29 0.53 0.00 0.00 0.00 0.00 23.12 24.83 2qwz s ALA 31 CO -0.05 -0.60 1.82 0.87 0.00 0.00 0.00 175.76 177.80 2qwz h LYS 32 N 2.62 0.90 0.00 0.00 1.57 -2.00 -2.71 116.57 116.96 2qwz h LYS 32 Ca -0.35 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2qwz h LYS 32 Cb 1.24 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2qwz h LYS 32 CO 0.52 0.60 -1.13 0.41 -0.57 0.00 0.00 179.45 179.28 2qwz n GLY 33 N -1.34 -1.08 3.33 3.86 0.00 -1.26 -4.84 105.19 103.86 2qwz n GLY 33 Ca 0.18 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2qwz n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qwz s GLU 34 N -3.14 0.82 0.01 1.61 2.02 -1.02 -1.03 118.70 117.97 2qwz s GLU 34 Ca 0.04 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 54.91 2qwz s GLU 34 Cb 0.15 0.37 -0.01 0.00 0.10 0.00 0.00 34.13 34.74 2qwz s GLU 34 CO 0.84 -0.25 -0.03 -1.50 0.02 0.00 0.00 175.26 174.34 2qwz s ILE 35 N -1.57 0.18 0.37 -1.63 2.07 -1.01 -0.95 121.20 118.66 2qwz s ILE 35 Ca -0.11 -0.56 0.08 0.00 -1.41 0.00 0.00 60.65 58.65 2qwz s ILE 35 Cb -0.03 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 2qwz s ILE 35 CO 0.04 -0.24 0.17 -0.89 -1.91 0.00 0.00 174.94 172.11 2qwz s THR 36 N -0.81 2.71 -0.28 4.00 2.01 -0.45 -1.31 115.64 121.52 2qwz s THR 36 Ca -0.08 -1.68 -0.19 0.00 0.31 0.00 0.00 61.69 60.05 2qwz s THR 36 Cb -0.06 -2.97 0.08 0.00 0.01 0.00 0.00 72.50 69.56 2qwz s THR 36 CO -0.00 -0.10 0.73 -0.60 -0.69 0.00 0.00 174.62 173.96 2qwz s ARG 38 N -3.88 0.72 -0.32 4.92 3.52 0.13 -0.00 118.95 124.03 2qwz s ARG 38 Ca 0.40 1.10 -0.11 0.00 -0.13 0.00 0.00 55.73 56.98 2qwz s ARG 38 Cb -0.00 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2qwz s ARG 38 CO 0.23 -0.13 0.19 -1.17 -0.81 0.00 0.00 175.30 173.61 2qwz s LEU 39 N 1.17 4.27 -0.58 -0.88 0.20 -0.12 -1.21 118.68 121.53 2qwz s LEU 39 Ca -0.06 -0.44 -0.27 0.00 0.69 0.00 0.00 54.13 54.05 2qwz s LEU 39 Cb -0.05 -2.07 -0.01 0.00 -0.43 0.00 0.00 46.19 43.64 2qwz s LEU 39 CO -0.13 -0.20 1.70 0.21 -0.29 0.00 0.00 176.35 177.64 2qwz s ASN 40 N 1.67 5.62 0.47 3.68 2.47 0.87 -2.45 114.94 127.27 2qwz s ASN 40 Ca 0.05 0.35 0.17 0.00 0.42 0.00 0.00 52.86 53.86 2qwz s ASN 40 Cb -0.17 -2.54 1.14 0.00 -1.45 0.00 0.00 41.25 38.23 2qwz s ASN 40 CO 0.08 -2.10 2.03 1.62 -3.72 0.00 0.00 177.10 175.01 2qwz h VAL 41 N 6.68 1.00 -0.98 -5.21 3.04 -1.88 -2.29 116.25 116.60 2qwz h VAL 41 Ca -0.27 -0.54 0.02 0.00 -1.01 0.00 0.00 66.70 64.90 2qwz h VAL 41 Cb 1.14 1.30 -0.05 0.00 -2.01 0.00 0.00 31.29 31.66 2qwz h VAL 41 CO 1.20 0.15 0.65 -0.61 -1.01 0.00 0.00 177.57 177.94 2qwz h GLN 42 N 0.00 1.27 0.00 4.17 4.15 -1.93 -2.11 115.11 120.67 2qwz h GLN 42 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 2qwz h GLN 42 Cb 0.29 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2qwz h GLN 42 CO 0.02 0.84 0.01 -1.91 -1.93 0.00 0.00 178.83 175.86 2qwz n GLU 43 N -4.41 0.01 0.02 1.69 0.00 -0.86 -1.47 120.64 115.62 2qwz n GLU 43 Ca 0.12 0.50 0.11 0.00 0.00 0.00 0.00 57.16 57.89 2qwz n GLU 43 Cb 0.03 -1.53 0.07 0.00 0.00 0.00 0.00 31.44 30.01 2qwz n GLU 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2qwz n ARG 44 N -1.53 0.19 -3.87 5.31 5.12 -0.79 -5.00 116.66 116.09 2qwz n ARG 44 Ca -0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 2qwz n ARG 44 Cb 0.01 -1.57 0.01 0.00 -1.16 0.00 0.00 32.46 29.75 2qwz n ARG 44 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2qwz n HIS 45 N -1.82 -1.82 -3.66 -1.55 8.25 -0.54 -4.93 115.22 109.15 2qwz n HIS 45 Ca 0.03 0.54 -0.30 0.00 -0.26 0.00 0.00 57.72 57.72 2qwz n HIS 45 Cb 0.40 -2.85 -0.04 0.00 1.12 0.00 0.00 29.99 28.62 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 -5.94 4.25 0.66 2.41 1.43 -1.26 -5.09 118.68 115.14 2qwz s LEU 46 Ca 0.21 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.70 2qwz s LEU 46 Cb -0.11 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2qwz s LEU 46 CO 0.92 0.02 1.19 0.00 0.23 0.00 0.00 176.35 178.71 2qwz s ARG 47 N -2.84 2.60 0.41 1.70 1.04 -1.26 -4.88 118.95 115.72 2qwz s ARG 47 Ca 0.41 1.73 -0.24 0.00 -1.04 0.00 0.00 55.73 56.59 2qwz s ARG 47 Cb -0.12 -1.89 -0.12 0.00 -2.04 0.00 0.00 34.95 30.78 2qwz s ARG 47 CO 0.26 -1.47 0.82 -2.30 -0.04 0.00 0.00 175.30 172.57 2qwz n PRO 48 N -2.18 1.00 0.00 3.89 -0.02 -1.26 -1.01 135.00 135.41 2qwz n PRO 48 Ca 0.13 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2qwz n PRO 48 Cb 0.50 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2qwz n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qwz n GLY 49 N 1.44 2.33 3.79 -1.23 0.00 -1.26 -5.00 105.19 105.25 2qwz n GLY 49 Ca 0.11 0.00 -0.33 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 -1.65 2.31 0.10 -0.02 0.00 -0.18 -4.81 107.32 103.08 2qwz s GLY 50 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.30 2qwz s GLY 50 CO 0.00 0.87 -0.11 -0.51 0.00 0.00 0.00 173.10 173.36 2qwz s THR 51 N -2.20 0.99 0.34 0.90 -4.23 -1.26 -4.33 115.64 105.84 2qwz s THR 51 Ca 0.67 -1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 59.25 2qwz s THR 51 Cb -0.18 -1.37 -0.12 0.00 1.34 0.00 0.00 72.50 72.17 2qwz s THR 51 CO 0.32 -0.54 1.40 0.52 -0.54 0.00 0.00 174.62 175.78 2qwz n VAL 52 N 0.56 1.82 -1.83 2.29 0.31 -1.26 -4.98 118.33 115.24 2qwz n VAL 52 Ca -0.16 -0.45 -0.30 0.00 -0.01 0.00 0.00 64.34 63.42 2qwz n VAL 52 Cb 0.58 -1.76 0.07 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.11 4.96 0.17 4.52 1.04 -1.26 -4.91 113.70 118.11 2qwz s SER 53 Ca 0.56 1.04 -0.10 0.00 0.48 0.00 0.00 55.95 57.93 2qwz s SER 53 Cb -0.53 -1.72 0.04 0.00 0.10 0.00 0.00 66.02 63.90 2qwz s SER 53 CO 0.60 -1.64 1.61 1.23 0.98 0.00 0.00 173.24 176.02 2qwz h GLY 54 N -0.87 1.11 1.77 7.32 0.00 -2.05 -2.38 103.07 107.97 2qwz h GLY 54 Ca -0.46 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.02 2qwz h GLY 54 CO 0.64 0.80 0.14 -2.55 0.00 0.00 0.00 176.54 175.56 2qwz h PRO 55 N 0.91 0.23 -1.01 4.80 0.11 -2.03 0.87 132.00 135.88 2qwz h PRO 55 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2qwz h PRO 55 Cb 0.62 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2qwz h PRO 55 CO 0.04 0.15 0.00 0.43 -0.21 0.00 0.00 178.00 178.41 2qwz n SER 56 N -4.51 1.58 0.00 -2.05 7.64 -0.90 -1.30 113.62 114.09 2qwz n SER 56 Ca 0.00 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.33 2qwz n SER 56 Cb 0.11 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 0.37 0.00 -0.15 1.43 -0.00 0.30 -0.61 117.46 118.80 2qwz n PHE 58 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.41 2qwz n PHE 58 Cb 0.29 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 39.83 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 0.54 -0.18 3.13 0.00 -1.44 0.30 119.26 121.61 2qwz h ALA 59 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qwz h ALA 59 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qwz h ALA 59 CO 0.00 -0.26 0.07 1.25 0.00 0.00 0.00 179.25 180.30 2qwz h LEU 60 N 0.29 0.26 -0.27 0.00 5.85 -1.15 -0.57 115.31 119.72 2qwz h LEU 60 Ca 0.22 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2qwz h LEU 60 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2qwz h LEU 60 CO -0.26 0.37 0.15 0.00 -0.34 0.00 0.00 178.44 178.36 2qwz h ALA 61 N 0.90 0.34 -0.28 1.25 0.00 -1.76 -1.86 119.26 117.85 2qwz h ALA 61 Ca 0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2qwz h ALA 61 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qwz h ALA 61 CO -0.00 -0.13 -0.35 0.22 0.00 0.00 0.00 179.25 178.98 2qwz h ASP 62 N 0.32 0.79 -0.81 0.00 3.58 -0.88 -2.90 116.42 116.52 2qwz h ASP 62 Ca 0.09 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 2qwz h ASP 62 Cb 0.06 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 2qwz h ASP 62 CO -0.02 1.13 0.40 1.62 -2.88 0.00 0.00 179.24 179.50 2qwz h VAL 63 N 0.47 1.25 -0.07 2.25 3.04 -1.05 -2.00 116.25 120.14 2qwz h VAL 63 Ca 0.03 -0.68 0.02 0.00 -1.01 0.00 0.00 66.70 65.06 2qwz h VAL 63 Cb 0.94 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 2qwz h VAL 63 CO 0.08 0.29 -0.03 0.28 -1.01 0.00 0.00 177.57 177.18 2qwz h SER 64 N 1.14 -0.11 0.18 3.17 0.02 -1.31 -0.15 113.55 116.49 2qwz h SER 64 Ca 0.28 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 61.03 2qwz h SER 64 Cb 0.09 0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.71 2qwz h SER 64 CO -0.04 -0.05 -0.92 0.58 -1.14 0.00 0.00 176.83 175.27 2qwz h VAL 65 N -0.03 1.35 -0.43 2.27 2.07 -1.50 -2.48 116.25 117.51 2qwz h VAL 65 Ca 0.04 -2.30 0.03 0.00 0.82 0.00 0.00 66.70 65.29 2qwz h VAL 65 Cb 0.09 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2qwz h VAL 65 CO -0.09 0.70 0.23 0.22 0.02 0.00 0.00 177.57 178.65 2qwz h TYR 66 N 0.32 0.43 -0.64 1.57 3.20 -1.30 -0.18 116.97 120.37 2qwz h TYR 66 Ca -0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2qwz h TYR 66 Cb 1.55 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.66 2qwz h TYR 66 CO 0.07 0.24 0.39 0.00 -1.64 0.00 0.00 178.16 177.22 2qwz h ALA 67 N 1.21 0.81 -0.67 1.82 0.00 -1.00 -0.82 119.26 120.62 2qwz h ALA 67 Ca 0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qwz h ALA 67 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qwz h ALA 67 CO -0.10 0.28 0.16 1.25 0.00 0.00 0.00 179.25 180.83 2qwz h LEU 68 N 0.86 1.00 -0.11 0.00 5.85 -1.06 0.40 115.31 122.25 2qwz h LEU 68 Ca 0.23 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2qwz h LEU 68 Cb -0.04 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 2qwz h LEU 68 CO -0.04 0.96 0.05 0.58 -0.34 0.00 0.00 178.44 179.64 2qwz h VAL 69 N 1.01 1.14 -0.57 1.05 2.07 -0.58 -2.87 116.25 117.49 2qwz h VAL 69 Ca 0.21 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2qwz h VAL 69 Cb 0.36 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2qwz h VAL 69 CO 0.00 0.12 0.38 -0.07 0.02 0.00 0.00 177.57 178.02 2qwz h LEU 70 N 0.03 0.66 -2.03 2.57 3.38 -0.99 -0.88 115.31 118.04 2qwz h LEU 70 Ca 0.04 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2qwz h LEU 70 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2qwz h LEU 70 CO -0.00 0.48 0.29 0.00 0.09 0.00 0.00 178.44 179.29 2qwz h ALA 71 N 1.64 2.29 0.06 1.53 0.00 -0.70 0.01 119.26 124.09 2qwz h ALA 71 Ca 0.21 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.74 2qwz h ALA 71 Cb -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2qwz h ALA 71 CO -0.04 -0.48 -2.17 0.72 0.00 0.00 0.00 179.25 177.27 2qwz n HIS 72 N -4.29 0.67 0.02 0.00 8.25 -0.77 -0.37 115.22 118.73 2qwz n HIS 72 Ca 0.06 0.16 0.03 0.00 -0.26 0.00 0.00 57.72 57.71 2qwz n HIS 72 Cb 0.47 -1.09 -0.10 0.00 1.12 0.00 0.00 29.99 30.39 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 -3.29 0.55 0.00 2.41 4.77 -0.41 -4.41 117.00 116.63 2qwz n LEU 73 Ca -0.35 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2qwz n LEU 73 Cb 1.04 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 2qwz n LEU 73 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2qwz n GLY 74 N 1.38 -2.45 0.10 -0.72 0.00 -0.03 -4.51 105.19 98.96 2qwz n GLY 74 Ca -0.10 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 0.22 -0.30 1.61 3.08 -1.98 -2.96 114.38 114.05 2qwz h ARG 75 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2qwz h ARG 75 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qwz h ARG 75 CO 0.00 0.31 0.00 0.39 -1.07 0.00 0.00 179.97 179.60 2qwz n GLU 76 N -4.88 0.92 -3.98 0.04 1.02 -1.26 -4.73 120.64 107.77 2qwz n GLU 76 Ca -0.05 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 2qwz n GLU 76 Cb 0.12 -1.15 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.67 3.25 -0.78 0.62 0.00 -1.12 -5.05 121.76 117.01 2qwz s ALA 77 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2qwz s ALA 77 Cb 0.00 -1.93 0.20 0.00 0.00 0.00 0.00 23.12 21.39 2qwz s ALA 77 CO 0.00 -0.08 0.65 1.28 0.00 0.00 0.00 175.76 177.61 2qwz n LEU 78 N 4.08 3.60 -4.68 0.00 4.77 -1.26 -4.92 117.00 118.59 2qwz n LEU 78 Ca -0.16 -5.21 -0.42 0.00 -0.03 0.00 0.00 56.01 50.19 2qwz n LEU 78 Cb 0.52 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2qwz n LEU 78 CO 0.33 1.71 1.10 0.00 -1.33 0.00 0.00 177.39 179.20 2qwz s ALA 79 N -1.56 3.58 -0.20 -1.18 0.00 -1.26 -4.23 121.76 116.91 2qwz s ALA 79 Ca 0.27 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 2qwz s ALA 79 Cb -0.03 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2qwz s ALA 79 CO -0.14 -0.95 0.00 0.08 0.00 0.00 0.00 175.76 174.76 2qwz s VAL 80 N 2.62 4.00 0.09 0.00 1.01 0.31 -4.91 120.40 123.51 2qwz s VAL 80 Ca 0.62 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 2qwz s VAL 80 Cb -0.29 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 2qwz s VAL 80 CO 0.24 0.43 1.70 -0.89 0.00 0.00 0.00 175.10 176.59 2qwz s THR 81 N 0.95 2.88 -0.11 3.92 2.01 -1.26 0.53 115.64 124.56 2qwz s THR 81 Ca 0.01 0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.45 2qwz s THR 81 Cb -0.14 -3.23 -0.12 0.00 0.01 0.00 0.00 72.50 69.02 2qwz s THR 81 CO 0.02 -0.00 0.01 0.35 -0.69 0.00 0.00 174.62 174.31 2qwz n THR 82 N 4.71 0.73 -3.83 -0.82 -2.24 -0.66 -4.83 114.28 107.33 2qwz n THR 82 Ca 0.16 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 2qwz n THR 82 Cb 0.40 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 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 -4.47 -0.07 -0.04 3.42 3.84 -1.04 -5.03 114.94 111.54 2qwz s ASN 83 Ca -0.07 -0.01 -0.02 0.00 0.21 0.00 0.00 52.86 52.96 2qwz s ASN 83 Cb 0.03 0.28 0.02 0.00 -0.55 0.00 0.00 41.25 41.03 2qwz s ASN 83 CO 0.41 -0.33 0.09 0.00 -2.79 0.00 0.00 177.10 174.48 2qwz s ALA 84 N -1.08 -0.18 0.05 1.71 0.00 -1.26 -1.40 121.76 119.59 2qwz s ALA 84 Ca -0.12 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.26 2qwz s ALA 84 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2qwz s ALA 84 CO 0.02 -0.08 -0.12 -1.54 0.00 0.00 0.00 175.76 174.03 2qwz s SER 85 N 0.51 1.46 -0.08 0.00 1.04 -0.36 -5.00 113.70 111.26 2qwz s SER 85 Ca -0.04 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 2qwz s SER 85 Cb -0.05 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.04 2qwz s SER 85 CO -0.02 -0.04 0.19 -0.76 0.98 0.00 0.00 173.24 173.59 2qwz s LEU 86 N -1.34 0.79 -0.16 2.42 1.02 -1.26 -1.65 118.68 118.50 2qwz s LEU 86 Ca -0.02 0.39 -0.02 0.00 0.02 0.00 0.00 54.13 54.51 2qwz s LEU 86 Cb -0.09 0.56 -0.01 0.00 0.02 0.00 0.00 46.19 46.67 2qwz s LEU 86 CO 0.01 -0.13 -0.09 -1.81 0.02 0.00 0.00 176.35 174.35 2qwz s ASP 87 N 0.89 4.19 0.10 2.29 1.01 0.38 -4.99 116.67 120.54 2qwz s ASP 87 Ca -0.07 -0.33 0.02 0.00 0.71 0.00 0.00 52.55 52.88 2qwz s ASP 87 Cb -0.08 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 2qwz s ASP 87 CO -0.05 0.10 0.21 -0.36 0.21 0.00 0.00 175.17 175.28 2qwz s PHE 88 N 0.74 3.44 0.67 4.23 0.08 -1.26 -1.23 117.98 124.65 2qwz s PHE 88 Ca -0.04 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 57.01 2qwz s PHE 88 Cb -0.15 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2qwz s PHE 88 CO 0.02 0.55 0.93 0.54 -0.10 0.00 0.00 175.22 177.16 2qwz n ARG 90 N 0.01 0.66 -1.95 0.44 1.74 -0.31 -4.99 116.66 112.25 2qwz n ARG 90 Ca -0.06 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 2qwz n ARG 90 Cb 0.52 -2.17 -0.03 0.00 -1.02 0.00 0.00 32.46 29.77 2qwz n ARG 90 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2qwz s LYS 91 N -3.04 4.20 0.52 5.56 2.36 -1.26 -4.67 119.74 123.41 2qwz s LYS 91 Ca 0.74 2.29 -0.21 0.00 -2.55 0.00 0.00 55.97 56.25 2qwz s LYS 91 Cb -0.38 -3.66 -0.08 0.00 -1.05 0.00 0.00 37.83 32.66 2qwz s LYS 91 CO 0.49 -0.74 0.91 -2.30 1.55 0.00 0.00 175.35 175.26 2qwz n PRO 92 N 5.83 1.03 -2.31 4.03 -0.02 -1.26 -4.92 135.00 137.38 2qwz n PRO 92 Ca 0.16 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 2qwz n PRO 92 Cb 0.41 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 2qwz n PRO 92 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2qwz s GLU 93 N -2.33 4.26 0.21 -0.52 2.56 -1.26 -4.89 118.70 116.72 2qwz s GLU 93 Ca 0.69 1.84 -0.31 0.00 0.00 0.00 0.00 54.97 57.19 2qwz s GLU 93 Cb -0.48 -3.70 -0.11 0.00 2.00 0.00 0.00 34.13 31.85 2qwz s GLU 93 CO 0.52 -0.63 1.59 0.45 -0.56 0.00 0.00 175.26 176.63 2qwz s SER 94 N 2.05 6.51 0.00 -1.70 0.15 -1.26 -3.51 113.70 115.95 2qwz s SER 94 Ca 0.61 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.99 2qwz s SER 94 Cb -0.27 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 2qwz s SER 94 CO 0.22 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2qwz n GLY 95 N 3.37 0.85 3.22 9.45 0.00 -1.26 -4.97 105.19 115.85 2qwz n GLY 95 Ca 0.13 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.67 1.01 0.80 1.61 0.52 -1.23 -5.04 118.95 115.95 2qwz s ARG 96 Ca 0.00 -1.00 -0.12 0.00 -0.52 0.00 0.00 55.73 54.09 2qwz s ARG 96 Cb 0.00 -1.12 0.08 0.00 0.52 0.00 0.00 34.95 34.42 2qwz s ARG 96 CO 0.00 0.26 1.14 -0.51 0.02 0.00 0.00 175.30 176.22 2qwz s ASP 97 N -1.65 3.93 -0.14 0.23 1.01 -1.26 -4.65 116.67 114.14 2qwz s ASP 97 Ca 0.03 2.12 -0.04 0.00 0.71 0.00 0.00 52.55 55.37 2qwz s ASP 97 Cb -0.10 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 2qwz s ASP 97 CO 0.03 -2.43 -0.01 -0.22 0.21 0.00 0.00 175.17 172.75 2qwz s LEU 98 N -5.83 3.43 -0.10 1.23 2.96 -1.02 -1.67 118.68 117.67 2qwz s LEU 98 Ca 0.67 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 54.56 2qwz s LEU 98 Cb -0.23 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2qwz s LEU 98 CO 0.52 0.22 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.93 2qwz s LEU 99 N 0.04 3.03 -0.23 -0.68 1.43 0.22 -0.94 118.68 121.55 2qwz s LEU 99 Ca 0.02 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2qwz s LEU 99 Cb -0.13 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 2qwz s LEU 99 CO 0.02 0.27 -0.03 -0.83 0.23 0.00 0.00 176.35 176.01 2qwz s GLY 100 N -0.25 1.63 -0.59 -3.19 0.00 -1.26 -0.28 107.32 103.38 2qwz s GLY 100 Ca 0.03 -1.20 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 2qwz s GLY 100 CO 0.03 0.45 0.50 1.20 0.00 0.00 0.00 173.10 175.28 2qwz s GLN 101 N 1.48 2.92 0.22 2.90 -0.21 -0.27 -4.13 119.66 122.57 2qwz s GLN 101 Ca 0.05 -1.97 -0.08 0.00 0.02 0.00 0.00 55.36 53.38 2qwz s GLN 101 Cb -0.15 -4.16 -0.07 0.00 1.00 0.00 0.00 33.01 29.64 2qwz s GLN 101 CO -0.03 -1.26 0.52 0.00 -2.12 0.00 0.00 175.29 172.40 2qwz s ALA 102 N 1.06 3.61 0.02 6.09 0.00 -0.42 -2.20 121.76 129.92 2qwz s ALA 102 Ca 0.08 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2qwz s ALA 102 Cb -0.23 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 2qwz s ALA 102 CO -0.01 0.50 -0.11 -0.98 0.00 0.00 0.00 175.76 175.15 2qwz s ARG 103 N -2.90 0.79 -0.28 0.00 1.70 0.97 -2.39 118.95 116.84 2qwz s ARG 103 Ca 0.46 -0.55 -0.21 0.00 -0.47 0.00 0.00 55.73 54.95 2qwz s ARG 103 Cb -0.11 -0.76 -0.01 0.00 -0.57 0.00 0.00 34.95 33.50 2qwz s ARG 103 CO 0.23 0.19 0.67 -1.17 -1.08 0.00 0.00 175.30 174.14 2qwz s LEU 104 N -0.76 4.09 -0.09 -1.89 2.96 -0.20 -1.24 118.68 121.56 2qwz s LEU 104 Ca 0.01 0.64 0.19 0.00 -0.22 0.00 0.00 54.13 54.75 2qwz s LEU 104 Cb -0.06 -2.90 -0.26 0.00 0.50 0.00 0.00 46.19 43.46 2qwz s LEU 104 CO 0.00 -0.45 0.35 0.18 -1.32 0.00 0.00 176.35 175.11 2qwz n LEU 105 N 5.86 0.14 -3.61 -0.68 4.77 -0.47 -4.87 117.00 118.15 2qwz n LEU 105 Ca 0.00 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.89 2qwz n LEU 105 Cb 0.49 0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2qwz n LEU 105 CO 0.45 0.25 0.35 -0.75 -1.33 0.00 0.00 177.39 176.37 2qwz s LYS 106 N -2.94 0.87 -0.41 3.23 2.20 -0.68 -4.81 119.74 117.19 2qwz s LYS 106 Ca -0.08 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.11 2qwz s LYS 106 Cb 0.09 0.41 0.17 0.00 -1.51 0.00 0.00 37.83 37.00 2qwz s LYS 106 CO 0.86 -0.19 0.36 -1.17 -0.36 0.00 0.00 175.35 174.84 2qwz s LEU 107 N -0.43 1.12 0.00 5.43 2.96 -1.26 -0.35 118.68 126.15 2qwz s LEU 107 Ca -0.06 -2.88 0.00 0.00 -0.22 0.00 0.00 54.13 50.97 2qwz s LEU 107 Cb -0.03 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.43 2qwz s LEU 107 CO 0.05 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 2qwz n GLY 108 N 2.96 0.69 0.23 7.98 0.00 0.19 -4.82 105.19 112.42 2qwz n GLY 108 Ca 0.27 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 2qwz n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qwz h ARG 109 N 0.00 0.62 0.00 1.61 -0.00 -2.00 -3.38 114.38 111.23 2qwz h ARG 109 Ca 0.00 -0.34 0.00 0.00 -0.50 0.00 0.00 59.98 59.14 2qwz h ARG 109 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.99 2qwz h ARG 109 CO 0.00 0.94 -0.50 0.25 0.00 0.00 0.00 179.97 180.67 2qwz n THR 110 N -4.01 0.00 -3.85 2.04 -2.24 -1.26 -4.82 114.28 100.14 2qwz n THR 110 Ca -0.02 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2qwz n THR 110 Cb 0.55 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.35 1.80 0.03 3.22 1.43 -1.26 -0.84 118.68 120.70 2qwz s LEU 111 Ca 0.00 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 2qwz s LEU 111 Cb 0.00 0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.37 2qwz s LEU 111 CO 0.00 -0.02 -0.24 0.00 0.23 0.00 0.00 176.35 176.32 2qwz s ALA 112 N 0.03 2.07 -0.00 4.21 0.00 -0.16 -0.64 121.76 127.27 2qwz s ALA 112 Ca -0.00 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2qwz s ALA 112 Cb -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2qwz s ALA 112 CO 0.00 0.49 -0.04 0.08 0.00 0.00 0.00 175.76 176.29 2qwz s VAL 113 N -0.74 0.29 0.17 0.00 1.01 0.52 -1.16 120.40 120.49 2qwz s VAL 113 Ca 0.10 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 2qwz s VAL 113 Cb -0.10 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.05 2qwz s VAL 113 CO 0.01 0.09 0.47 -0.83 0.00 0.00 0.00 175.10 174.84 2qwz s GLY 114 N -0.05 -0.09 0.39 4.51 0.00 -1.26 -1.37 107.32 109.45 2qwz s GLY 114 Ca 0.01 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.54 2qwz s GLY 114 CO -0.00 -0.33 0.11 0.51 0.00 0.00 0.00 173.10 173.39 2qwz s ASP 115 N -2.86 2.65 -0.27 1.64 1.47 -0.38 -4.42 116.67 114.50 2qwz s ASP 115 Ca 0.08 -1.60 -0.25 0.00 1.18 0.00 0.00 52.55 51.96 2qwz s ASP 115 Cb 0.00 0.38 0.08 0.00 -0.34 0.00 0.00 42.92 43.04 2qwz s ASP 115 CO -0.05 -0.86 0.76 -0.51 0.68 0.00 0.00 175.17 175.19 2qwz s ILE 116 N -3.25 0.00 -0.13 2.11 2.07 -0.40 -0.02 121.20 121.58 2qwz s ILE 116 Ca 0.27 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.49 2qwz s ILE 116 Cb 0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2qwz s ILE 116 CO 0.14 0.00 -0.07 -0.76 -1.91 0.00 0.00 174.94 172.35 2qwz s LEU 117 N 0.38 3.09 -0.11 8.50 1.43 -0.93 -1.20 118.68 129.83 2qwz s LEU 117 Ca 0.00 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2qwz s LEU 117 Cb -0.05 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2qwz s LEU 117 CO -0.00 0.21 0.08 -0.76 0.23 0.00 0.00 176.35 176.11 2qwz s LEU 118 N 0.09 4.01 0.02 1.79 1.02 -0.57 -1.11 118.68 123.92 2qwz s LEU 118 Ca -0.02 0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.46 2qwz s LEU 118 Cb -0.14 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 2qwz s LEU 118 CO 0.03 0.37 -0.09 -0.36 0.02 0.00 0.00 176.35 176.32 2qwz s PHE 119 N -0.82 0.83 -0.06 0.29 0.08 0.62 -0.20 117.98 118.73 2qwz s PHE 119 Ca 0.13 -0.27 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 2qwz s PHE 119 Cb -0.12 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 2qwz s PHE 119 CO 0.03 -0.01 1.13 -1.12 -0.10 0.00 0.00 175.22 175.14 2qwz s SER 120 N -0.72 7.13 0.04 1.36 0.01 -1.26 -0.61 113.70 119.65 2qwz s SER 120 Ca -0.00 1.74 -0.34 0.00 1.31 0.00 0.00 55.95 58.66 2qwz s SER 120 Cb -0.06 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.49 2qwz s SER 120 CO 0.00 -0.51 1.75 1.21 0.41 0.00 0.00 173.24 176.10 2qwz n GLU 121 N 4.94 2.22 -0.54 12.44 2.13 -0.67 -4.74 120.64 136.42 2qwz n GLU 121 Ca 0.10 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2qwz n GLU 121 Cb 0.47 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.56 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 3.96 0.73 0.00 8.31 0.00 -1.26 -4.90 105.19 112.03 2qwz n GLY 122 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.40 0.98 -2.52 1.61 4.71 -1.26 -5.24 120.64 118.51 2qwz n GLU 124 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 2qwz n GLU 124 Cb 0.16 -0.59 -0.02 0.00 -1.01 0.00 0.00 31.44 29.97 2qwz n GLU 124 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qwz s ALA 125 N -1.13 3.60 0.32 0.62 0.00 -1.26 -4.98 121.76 118.93 2qwz s ALA 125 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 2qwz s ALA 125 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 2qwz s ALA 125 CO 0.00 -0.99 1.38 -1.25 0.00 0.00 0.00 175.76 174.90 2qwz s PRO 126 N 2.98 4.28 0.35 0.00 0.04 -1.26 -4.72 135.00 136.67 2qwz s PRO 126 Ca 0.51 2.32 0.19 0.00 0.04 0.00 0.00 61.00 64.07 2qwz s PRO 126 Cb -0.20 -3.06 0.39 0.00 0.04 0.00 0.00 34.50 31.67 2qwz s PRO 126 CO 0.14 -0.32 1.60 -0.39 0.04 0.00 0.00 177.00 178.06 2qwz h VAL 127 N 3.14 0.67 -2.92 -0.36 -1.51 -0.85 -3.38 116.25 111.03 2qwz h VAL 127 Ca -0.49 -1.70 0.01 0.00 -1.23 0.00 0.00 66.70 63.29 2qwz h VAL 127 Cb 1.23 2.15 -0.11 0.00 -2.13 0.00 0.00 31.29 32.42 2qwz h VAL 127 CO 0.68 0.34 0.24 0.00 -1.23 0.00 0.00 177.57 177.61 2qwz s ALA 128 N -3.23 -1.56 0.02 5.19 0.00 -1.15 -1.16 121.76 119.87 2qwz s ALA 128 Ca 0.03 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 2qwz s ALA 128 Cb 0.08 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2qwz s ALA 128 CO 0.70 -0.81 0.07 -0.98 0.00 0.00 0.00 175.76 174.74 2qwz s ARG 129 N -3.71 0.45 0.07 0.00 1.04 -0.36 -1.51 118.95 114.92 2qwz s ARG 129 Ca 0.03 -0.56 -0.15 0.00 -1.04 0.00 0.00 55.73 54.01 2qwz s ARG 129 Cb -0.02 0.18 0.03 0.00 -2.04 0.00 0.00 34.95 33.10 2qwz s ARG 129 CO -0.09 -0.10 0.35 0.45 -0.04 0.00 0.00 175.30 175.87 2qwz s SER 130 N -1.60 -0.17 0.42 -2.89 0.15 -0.34 -0.47 113.70 108.80 2qwz s SER 130 Ca -0.13 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.35 2qwz s SER 130 Cb -0.07 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2qwz s SER 130 CO -0.01 -0.69 0.11 -0.89 1.20 0.00 0.00 173.24 172.96 2qwz s THR 131 N -2.93 0.70 0.00 6.45 2.01 -0.66 -1.28 115.64 119.94 2qwz s THR 131 Ca -0.02 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 59.98 2qwz s THR 131 Cb 0.00 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.18 2qwz s THR 131 CO -0.06 0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.28 2qwz n THR 133 N -0.96 0.00 -4.49 -0.82 -1.04 -0.50 -1.23 114.28 105.24 2qwz n THR 133 Ca -0.08 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.73 2qwz n THR 133 Cb 0.65 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.01 2qwz n THR 133 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2qwz s TYR 134 N -1.18 1.02 -0.05 -1.42 1.51 -0.31 -1.66 117.35 115.26 2qwz s TYR 134 Ca 0.00 -0.20 -0.24 0.00 -1.01 0.00 0.00 57.07 55.62 2qwz s TYR 134 Cb 0.00 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 2qwz s TYR 134 CO 0.00 -0.03 0.72 0.45 -1.11 0.00 0.00 175.55 175.58 2qwz s SER 135 N -0.21 7.03 -0.38 2.29 0.15 0.19 -0.98 113.70 121.78 2qwz s SER 135 Ca 0.03 1.24 -0.11 0.00 0.70 0.00 0.00 55.95 57.81 2qwz s SER 135 Cb -0.05 -2.43 0.03 0.00 -1.71 0.00 0.00 66.02 61.86 2qwz s SER 135 CO -0.00 -0.11 0.22 -0.63 1.20 0.00 0.00 173.24 173.92 2qwz s ILE 136 N 0.73 4.63 0.62 6.45 1.01 -0.02 -0.53 121.20 134.09 2qwz s ILE 136 Ca 0.39 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2qwz s ILE 136 Cb -0.18 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.73 2qwz s ILE 136 CO 0.19 -0.27 0.87 -2.16 0.00 0.00 0.00 174.94 173.57 2qwz s PRO 137 N 1.56 2.37 0.00 2.79 0.04 -1.26 -4.49 135.00 136.01 2qwz s PRO 137 Ca 0.02 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.46 2qwz s PRO 137 Cb -0.20 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2qwz s PRO 137 CO 0.07 -0.95 0.00 -2.30 0.04 0.00 0.00 177.00 173.86