#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 4.01 -0.05 3.41 0.20 -1.26 -5.04 118.68 119.95 2qwz s LEU -4 Ca 0.00 2.65 -0.02 0.00 0.69 0.00 0.00 54.13 57.45 2qwz s LEU -4 Cb 0.00 -4.13 -0.04 0.00 -0.43 0.00 0.00 46.19 41.59 2qwz s LEU -4 CO 0.00 -1.20 0.08 -0.47 -0.29 0.00 0.00 176.35 174.47 2qwz s TYR -3 N -1.34 3.32 -0.01 5.38 5.04 -1.26 -5.00 117.35 123.48 2qwz s TYR -3 Ca 0.65 0.27 -0.17 0.00 -2.44 0.00 0.00 57.07 55.38 2qwz s TYR -3 Cb -0.38 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.17 2qwz s TYR -3 CO 0.46 0.57 0.36 -0.59 -1.34 0.00 0.00 175.55 175.01 2qwz s PHE -2 N -1.09 -0.23 -0.00 4.97 -0.71 -1.26 -5.01 117.98 114.65 2qwz s PHE -2 Ca 0.19 0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 56.11 2qwz s PHE -2 Cb -0.12 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 2qwz s PHE -2 CO 0.09 -0.44 1.38 -0.65 -1.34 0.00 0.00 175.22 174.27 2qwz s GLN -1 N -1.53 4.29 0.00 1.99 1.11 -1.26 -5.01 119.66 119.25 2qwz s GLN -1 Ca -0.12 1.94 0.00 0.00 0.01 0.00 0.00 55.36 57.19 2qwz s GLN -1 Cb -0.04 -3.57 0.00 0.00 -1.01 0.00 0.00 33.01 28.39 2qwz s GLN -1 CO 0.04 -0.56 0.00 0.41 0.01 0.00 0.00 175.29 175.18 2qwz n GLY 0 N 3.62 1.36 1.59 3.09 0.00 -1.26 -4.36 105.19 109.23 2qwz n GLY 0 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 1.19 -1.89 -2.92 1.61 4.07 -1.26 -5.00 120.64 116.45 2qwz n GLU 2 Ca 0.00 1.37 -0.40 0.00 -0.06 0.00 0.00 57.16 58.07 2qwz n GLU 2 Cb 0.00 -1.84 -0.06 0.00 -0.06 0.00 0.00 31.44 29.49 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 -1.70 4.57 0.00 4.31 1.43 -1.26 -4.64 118.68 121.38 2qwz s LEU 3 Ca 0.00 1.67 0.18 0.00 -1.03 0.00 0.00 54.13 54.95 2qwz s LEU 3 Cb 0.00 -3.36 0.13 0.00 0.03 0.00 0.00 46.19 42.99 2qwz s LEU 3 CO 0.00 0.14 1.06 1.33 0.23 0.00 0.00 176.35 179.10 2qwz n VAL 4 N 1.94 0.00 -4.37 -1.59 0.24 0.25 -4.96 118.33 109.84 2qwz n VAL 4 Ca -0.04 -0.48 -0.24 0.00 -2.04 0.00 0.00 64.34 61.54 2qwz n VAL 4 Cb 0.49 1.36 -0.13 0.00 -1.47 0.00 0.00 33.84 34.09 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 -1.58 1.78 0.57 6.34 0.08 -1.19 -5.00 117.98 118.99 2qwz s PHE 5 Ca 0.21 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.90 2qwz s PHE 5 Cb 0.15 -1.00 0.07 0.00 -0.57 0.00 0.00 43.02 41.67 2qwz s PHE 5 CO 0.25 0.17 0.78 0.16 -0.10 0.00 0.00 175.22 176.49 2qwz s ASP 6 N -1.72 5.08 0.14 1.36 -4.77 -1.26 -4.89 116.67 110.61 2qwz s ASP 6 Ca 0.07 -0.51 -0.26 0.00 -3.30 0.00 0.00 52.55 48.55 2qwz s ASP 6 Cb -0.10 -0.18 -0.02 0.00 -1.09 0.00 0.00 42.92 41.53 2qwz s ASP 6 CO 0.04 -1.30 1.61 0.50 0.70 0.00 0.00 175.17 176.72 2qwz h LYS 7 N 0.11 -0.38 -0.58 2.11 3.64 -1.99 0.15 116.57 119.62 2qwz h LYS 7 Ca -0.36 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.95 2qwz h LYS 7 Cb 1.28 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2qwz h LYS 7 CO 0.43 -0.25 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.89 2qwz h ASP 8 N -0.40 1.04 -0.14 4.20 3.32 -1.97 -1.87 116.42 120.60 2qwz h ASP 8 Ca 0.09 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.86 2qwz h ASP 8 Cb 0.54 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2qwz h ASP 8 CO -0.34 1.10 -0.08 1.23 -1.72 0.00 0.00 179.24 179.44 2qwz h GLY 9 N 0.94 0.04 1.05 2.75 0.00 -1.89 -0.68 103.07 105.28 2qwz h GLY 9 Ca 0.16 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.60 2qwz h GLY 9 CO 0.04 -0.10 0.64 -2.00 0.00 0.00 0.00 176.54 175.12 2qwz h LEU 10 N -0.08 1.11 -0.10 3.11 5.85 -0.80 -1.45 115.31 122.95 2qwz h LEU 10 Ca 0.08 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2qwz h LEU 10 Cb 0.20 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2qwz h LEU 10 CO -0.19 0.81 0.06 0.28 -0.34 0.00 0.00 178.44 179.06 2qwz h SER 11 N 1.31 0.13 -0.44 1.25 0.02 -0.92 -0.44 113.55 114.46 2qwz h SER 11 Ca 0.35 -0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.34 2qwz h SER 11 Cb -0.15 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.27 2qwz h SER 11 CO -0.08 0.15 -0.19 0.00 -1.14 0.00 0.00 176.83 175.57 2qwz h ALA 12 N 0.98 0.15 -0.69 3.77 0.00 -0.83 -1.29 119.26 121.34 2qwz h ALA 12 Ca 0.04 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2qwz h ALA 12 Cb 0.05 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2qwz h ALA 12 CO -0.01 -0.54 0.17 -0.92 0.00 0.00 0.00 179.25 177.95 2qwz h TYR 13 N -0.10 1.16 -0.47 0.00 3.20 -0.84 -1.53 116.97 118.39 2qwz h TYR 13 Ca 0.21 -0.13 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 2qwz h TYR 13 Cb 0.42 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2qwz h TYR 13 CO -0.45 0.94 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.70 2qwz h LEU 14 N 1.05 1.02 -1.36 2.82 3.38 -0.77 -0.29 115.31 121.16 2qwz h LEU 14 Ca 0.22 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2qwz h LEU 14 Cb 0.36 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qwz h LEU 14 CO 0.00 1.21 -0.32 -0.33 0.09 0.00 0.00 178.44 179.09 2qwz h GLU 15 N 0.85 0.00 -0.12 1.13 5.08 -1.00 0.11 114.58 120.63 2qwz h GLU 15 Ca 0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2qwz h GLU 15 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2qwz h GLU 15 CO 0.07 0.32 -0.16 1.49 -1.00 0.00 0.00 179.01 179.73 2qwz h GLU 16 N 0.00 0.32 0.00 2.33 4.81 -1.03 -3.19 114.58 117.82 2qwz h GLU 16 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2qwz h GLU 16 Cb 0.57 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2qwz h GLU 16 CO 0.04 0.76 -0.38 0.28 -0.73 0.00 0.00 179.01 178.97 2qwz n VAL 17 N -4.56 0.15 -3.25 0.32 0.31 -0.14 -4.40 118.33 106.77 2qwz n VAL 17 Ca -0.07 -0.10 -0.23 0.00 -0.01 0.00 0.00 64.34 63.93 2qwz n VAL 17 Cb 0.38 -0.09 -0.08 0.00 -0.91 0.00 0.00 33.84 33.14 2qwz n VAL 17 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2qwz n PHE 18 N -1.74 -1.11 -0.15 3.52 3.01 0.38 -5.00 117.46 116.36 2qwz n PHE 18 Ca 0.05 -3.16 0.07 0.00 1.01 0.00 0.00 57.45 55.42 2qwz n PHE 18 Cb 0.37 0.23 0.37 0.00 -0.01 0.00 0.00 39.48 40.45 2qwz n PHE 18 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2qwz h PRO 19 N 5.00 0.68 -0.36 -1.08 0.11 -1.76 -0.96 132.00 133.63 2qwz h PRO 19 Ca 0.17 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.32 2qwz h PRO 19 Cb 0.92 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2qwz h PRO 19 CO 0.37 0.45 0.25 1.96 -0.21 0.00 0.00 178.00 180.82 2qwz h GLN 20 N 0.70 0.13 0.00 1.05 7.50 -1.95 -2.97 115.11 119.57 2qwz h GLN 20 Ca 0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.40 2qwz h GLN 20 Cb 0.25 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.75 2qwz h GLN 20 CO -0.09 0.08 -0.15 -0.84 -1.50 0.00 0.00 178.83 176.33 2qwz h ILE 21 N 0.13 0.44 -2.48 2.54 3.07 -1.52 -3.43 117.51 116.25 2qwz h ILE 21 Ca 0.17 -0.83 -0.53 0.00 1.55 0.00 0.00 64.86 65.22 2qwz h ILE 21 Cb 0.50 1.59 0.03 0.00 -0.27 0.00 0.00 36.82 38.67 2qwz h ILE 21 CO -0.02 0.15 1.15 -1.10 -1.05 0.00 0.00 178.15 177.28 2qwz s GLN 22 N -3.80 4.15 0.00 0.16 -1.52 -1.13 -1.26 119.66 116.26 2qwz s GLN 22 Ca -0.00 2.56 0.00 0.00 -1.95 0.00 0.00 55.36 55.97 2qwz s GLN 22 Cb 0.11 -3.84 0.00 0.00 -0.22 0.00 0.00 33.01 29.06 2qwz s GLN 22 CO 0.60 -0.88 0.00 0.41 -0.25 0.00 0.00 175.29 175.17 2qwz n GLY 23 N 4.33 3.19 0.13 3.09 0.00 -1.26 -4.87 105.19 109.80 2qwz n GLY 23 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.92 0.58 -4.85 1.61 2.13 -0.38 -4.65 120.64 114.15 2qwz n GLU 24 Ca 0.00 0.33 -0.33 0.00 0.66 0.00 0.00 57.16 57.82 2qwz n GLU 24 Cb 0.00 -1.54 -0.13 0.00 0.27 0.00 0.00 31.44 30.03 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 -2.51 2.74 -0.02 4.31 0.08 -0.87 0.58 117.98 122.29 2qwz s PHE 25 Ca -0.35 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 56.37 2qwz s PHE 25 Cb 0.12 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2qwz s PHE 25 CO 0.50 0.08 0.08 -1.54 -0.10 0.00 0.00 175.22 174.24 2qwz s SER 26 N -0.43 -0.00 -0.27 1.36 1.04 -0.38 -4.77 113.70 110.24 2qwz s SER 26 Ca 0.05 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.16 2qwz s SER 26 Cb -0.12 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.19 2qwz s SER 26 CO 0.02 -0.18 1.02 -0.63 0.98 0.00 0.00 173.24 174.45 2qwz s ILE 27 N -0.62 4.63 0.05 -1.02 1.01 -1.26 0.07 121.20 124.05 2qwz s ILE 27 Ca -0.07 1.80 0.04 0.00 0.00 0.00 0.00 60.65 62.42 2qwz s ILE 27 Cb -0.04 -4.32 -0.24 0.00 0.01 0.00 0.00 42.46 37.86 2qwz s ILE 27 CO 0.00 -0.30 1.02 0.44 0.00 0.00 0.00 174.94 176.10 2qwz h ASP 28 N 7.79 0.14 -4.17 3.58 3.32 -0.94 -3.48 116.42 122.66 2qwz h ASP 28 Ca -0.20 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 2qwz h ASP 28 Cb 1.07 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.36 2qwz h ASP 28 CO 0.98 1.16 0.16 0.00 -1.72 0.00 0.00 179.24 179.82 2qwz s ALA 29 N -2.66 -1.79 -0.05 3.45 0.00 -1.10 -4.95 121.76 114.66 2qwz s ALA 29 Ca -0.03 1.88 0.02 0.00 0.00 0.00 0.00 51.96 53.83 2qwz s ALA 29 Cb 0.08 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2qwz s ALA 29 CO 0.84 -0.34 -0.10 -1.17 0.00 0.00 0.00 175.76 174.98 2qwz s LEU 30 N 0.04 1.64 0.37 0.00 2.96 -1.26 -1.29 118.68 121.14 2qwz s LEU 30 Ca -0.02 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2qwz s LEU 30 Cb -0.04 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 2qwz s LEU 30 CO 0.03 0.03 0.14 0.00 -1.32 0.00 0.00 176.35 175.23 2qwz s ALA 31 N 0.55 2.56 0.39 5.97 0.00 0.65 -4.93 121.76 126.95 2qwz s ALA 31 Ca -0.11 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.42 2qwz s ALA 31 Cb -0.14 0.89 0.81 0.00 0.00 0.00 0.00 23.12 24.68 2qwz s ALA 31 CO 0.02 -0.40 2.01 0.87 0.00 0.00 0.00 175.76 178.27 2qwz h LYS 32 N 1.95 0.63 -0.00 0.00 1.57 -2.00 -3.12 116.57 115.59 2qwz h LYS 32 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2qwz h LYS 32 Cb 1.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2qwz h LYS 32 CO 0.56 0.41 -0.06 0.41 -0.57 0.00 0.00 179.45 180.20 2qwz n GLY 33 N -1.47 -0.56 3.24 3.86 0.00 -1.26 -4.81 105.19 104.20 2qwz n GLY 33 Ca 0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.68 0.70 0.03 1.61 2.02 -1.18 -1.45 118.70 119.75 2qwz s GLU 34 Ca 0.05 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.76 2qwz s GLU 34 Cb 0.04 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 2qwz s GLU 34 CO 0.09 -0.20 -0.08 -1.50 0.02 0.00 0.00 175.26 173.59 2qwz s ILE 35 N -1.70 0.58 0.46 -1.63 2.07 -1.01 -0.26 121.20 119.72 2qwz s ILE 35 Ca -0.11 -0.77 0.06 0.00 -1.41 0.00 0.00 60.65 58.42 2qwz s ILE 35 Cb -0.04 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 2qwz s ILE 35 CO 0.02 -0.15 0.24 -0.89 -1.91 0.00 0.00 174.94 172.25 2qwz s THR 36 N -0.86 2.02 -0.27 4.00 2.01 -0.41 -1.52 115.64 120.60 2qwz s THR 36 Ca -0.04 -1.64 -0.17 0.00 0.31 0.00 0.00 61.69 60.14 2qwz s THR 36 Cb -0.07 -2.66 0.08 0.00 0.01 0.00 0.00 72.50 69.86 2qwz s THR 36 CO 0.00 0.00 0.67 -0.60 -0.69 0.00 0.00 174.62 174.01 2qwz s ARG 38 N -4.03 0.71 -0.32 4.92 3.52 0.11 -0.13 118.95 123.73 2qwz s ARG 38 Ca 0.35 1.14 -0.15 0.00 -0.13 0.00 0.00 55.73 56.95 2qwz s ARG 38 Cb 0.01 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2qwz s ARG 38 CO 0.20 -0.14 0.35 -1.17 -0.81 0.00 0.00 175.30 173.73 2qwz s LEU 39 N 1.34 4.30 -0.63 -0.88 0.20 0.35 -1.25 118.68 122.11 2qwz s LEU 39 Ca -0.08 -0.09 -0.27 0.00 0.69 0.00 0.00 54.13 54.39 2qwz s LEU 39 Cb -0.05 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.37 2qwz s LEU 39 CO -0.15 -0.27 1.57 0.21 -0.29 0.00 0.00 176.35 177.42 2qwz s ASN 40 N 1.71 5.76 0.50 3.68 2.47 0.19 -2.53 114.94 126.73 2qwz s ASN 40 Ca 0.12 0.10 0.20 0.00 0.42 0.00 0.00 52.86 53.70 2qwz s ASN 40 Cb -0.16 -2.54 1.28 0.00 -1.45 0.00 0.00 41.25 38.38 2qwz s ASN 40 CO 0.11 -2.04 2.07 1.62 -3.72 0.00 0.00 177.10 175.15 2qwz h VAL 41 N 6.49 0.87 -0.96 -5.21 3.04 -1.88 -2.39 116.25 116.23 2qwz h VAL 41 Ca -0.27 -0.42 0.04 0.00 -1.01 0.00 0.00 66.70 65.03 2qwz h VAL 41 Cb 1.11 1.24 -0.06 0.00 -2.01 0.00 0.00 31.29 31.58 2qwz h VAL 41 CO 1.22 0.11 0.62 -0.61 -1.01 0.00 0.00 177.57 177.91 2qwz h GLN 42 N 0.00 1.17 0.00 4.17 4.15 -1.94 -2.43 115.11 120.22 2qwz h GLN 42 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2qwz h GLN 42 Cb 0.23 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2qwz h GLN 42 CO 0.01 0.77 0.00 -1.91 -1.93 0.00 0.00 178.83 175.78 2qwz n GLU 43 N -4.48 0.05 0.00 1.69 0.00 -0.90 -1.78 120.64 115.23 2qwz n GLU 43 Ca 0.13 0.29 0.10 0.00 0.00 0.00 0.00 57.16 57.68 2qwz n GLU 43 Cb 0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 29.97 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 -1.35 0.00 -4.34 5.31 5.12 -0.91 -4.98 116.66 115.52 2qwz n ARG 44 Ca 0.02 -0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.60 2qwz n ARG 44 Cb 0.05 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.76 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 -1.51 -1.29 -2.27 -1.55 8.25 -0.73 -4.84 115.22 111.28 2qwz n HIS 45 Ca 0.04 0.65 -0.37 0.00 -0.26 0.00 0.00 57.72 57.78 2qwz n HIS 45 Cb 0.33 -2.66 -0.01 0.00 1.12 0.00 0.00 29.99 28.78 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 -7.32 3.96 1.27 2.41 1.43 -1.26 -5.03 118.68 114.14 2qwz s LEU 46 Ca 0.23 2.27 -0.17 0.00 -1.03 0.00 0.00 54.13 55.42 2qwz s LEU 46 Cb -0.13 -4.31 0.30 0.00 0.03 0.00 0.00 46.19 42.07 2qwz s LEU 46 CO 1.00 -0.96 0.80 -2.11 0.23 0.00 0.00 176.35 175.30 2qwz n ARG 47 N -0.64 -3.19 -1.70 1.70 -4.01 -1.26 -4.84 116.66 102.71 2qwz n ARG 47 Ca 0.08 -0.92 -0.44 0.00 -1.04 0.00 0.00 57.85 55.53 2qwz n ARG 47 Cb 0.49 -1.99 -0.03 0.00 -3.04 0.00 0.00 32.46 27.89 2qwz n ARG 47 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 2qwz n PRO 48 N -4.72 2.34 -1.41 2.89 -0.02 -1.26 -2.42 135.00 130.40 2qwz n PRO 48 Ca 0.05 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 62.22 2qwz n PRO 48 Cb 0.56 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 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 2.65 1.41 3.92 -1.23 0.00 -1.26 -4.96 105.19 105.71 2qwz n GLY 49 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.33 1.53 0.32 -0.02 0.00 -1.02 -4.86 107.32 100.95 2qwz s GLY 50 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.11 2qwz s GLY 50 CO 0.00 -0.52 0.08 -0.51 0.00 0.00 0.00 173.10 172.15 2qwz s THR 51 N -2.46 0.93 0.11 0.90 -4.23 -1.26 -4.46 115.64 105.17 2qwz s THR 51 Ca 0.44 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 2qwz s THR 51 Cb -0.10 -2.68 -0.07 0.00 1.34 0.00 0.00 72.50 71.00 2qwz s THR 51 CO 0.38 0.00 1.19 -0.69 -0.54 0.00 0.00 174.62 174.96 2qwz s VAL 52 N -3.39 3.89 0.84 2.29 1.01 -1.26 -4.99 120.40 118.79 2qwz s VAL 52 Ca 0.35 1.44 -0.11 0.00 0.00 0.00 0.00 61.98 63.66 2qwz s VAL 52 Cb 0.07 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.63 2qwz s VAL 52 CO 0.15 0.16 1.09 -0.94 0.00 0.00 0.00 175.10 175.56 2qwz s SER 53 N 0.67 3.98 0.21 3.32 1.04 -1.26 -4.90 113.70 116.76 2qwz s SER 53 Ca 0.56 1.56 -0.08 0.00 0.48 0.00 0.00 55.95 58.47 2qwz s SER 53 Cb -0.30 -2.26 0.17 0.00 0.10 0.00 0.00 66.02 63.72 2qwz s SER 53 CO 0.32 -2.33 1.81 1.23 0.98 0.00 0.00 173.24 175.25 2qwz h GLY 54 N -1.33 1.26 2.00 7.32 0.00 -2.05 -2.64 103.07 107.62 2qwz h GLY 54 Ca -0.47 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.20 2qwz h GLY 54 CO 0.54 0.60 -0.15 -2.55 0.00 0.00 0.00 176.54 174.98 2qwz h PRO 55 N 1.15 0.00 -1.12 4.80 0.11 -2.03 0.65 132.00 135.55 2qwz h PRO 55 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2qwz h PRO 55 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2qwz h PRO 55 CO -0.03 0.15 0.00 0.43 -0.21 0.00 0.00 178.00 178.34 2qwz n SER 56 N -3.58 2.10 0.00 -2.05 7.64 -1.00 -1.09 113.62 115.64 2qwz n SER 56 Ca -0.01 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.27 2qwz n SER 56 Cb 0.29 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.51 0.00 -0.17 1.43 -0.00 0.22 -0.93 117.46 118.52 2qwz n PHE 58 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 2qwz n PHE 58 Cb 0.36 0.00 0.08 0.00 -0.00 0.00 0.00 39.48 39.92 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 0.57 -0.45 3.13 0.00 -1.36 -0.71 119.26 120.45 2qwz h ALA 59 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qwz h ALA 59 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qwz h ALA 59 CO 0.00 -0.33 0.06 1.25 0.00 0.00 0.00 179.25 180.23 2qwz h LEU 60 N 0.20 0.73 -0.68 0.00 5.85 -1.32 -1.71 115.31 118.39 2qwz h LEU 60 Ca 0.27 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2qwz h LEU 60 Cb 0.39 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2qwz h LEU 60 CO -0.38 0.82 0.04 0.00 -0.34 0.00 0.00 178.44 178.58 2qwz h ALA 61 N 0.94 0.89 0.01 1.25 0.00 -1.77 -1.52 119.26 119.07 2qwz h ALA 61 Ca 0.14 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2qwz h ALA 61 Cb 0.41 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qwz h ALA 61 CO 0.01 0.66 -0.53 0.22 0.00 0.00 0.00 179.25 179.61 2qwz h ASP 62 N 0.99 0.45 -0.33 0.00 3.58 -1.02 -2.75 116.42 117.33 2qwz h ASP 62 Ca 0.18 -0.79 -0.09 0.00 0.42 0.00 0.00 57.03 56.75 2qwz h ASP 62 Cb 0.51 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2qwz h ASP 62 CO 0.02 1.18 -0.12 1.62 -2.88 0.00 0.00 179.24 179.06 2qwz h VAL 63 N -0.24 1.26 0.50 2.25 3.04 -1.34 -0.08 116.25 121.64 2qwz h VAL 63 Ca -0.07 -1.18 -0.02 0.00 -1.01 0.00 0.00 66.70 64.43 2qwz h VAL 63 Cb 1.27 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 2qwz h VAL 63 CO 0.10 0.40 -0.47 0.28 -1.01 0.00 0.00 177.57 176.88 2qwz h SER 64 N 0.70 -1.27 -0.55 3.17 0.02 -1.32 0.30 113.55 114.59 2qwz h SER 64 Ca 0.12 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2qwz h SER 64 Cb 0.60 0.41 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2qwz h SER 64 CO 0.04 -0.63 -0.08 0.58 -1.14 0.00 0.00 176.83 175.60 2qwz h VAL 65 N -0.96 1.27 -0.55 2.27 2.07 -1.48 -1.01 116.25 117.86 2qwz h VAL 65 Ca -0.06 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2qwz h VAL 65 Cb 0.82 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2qwz h VAL 65 CO -0.04 0.44 0.35 0.22 0.02 0.00 0.00 177.57 178.57 2qwz h TYR 66 N 0.93 0.70 -0.64 1.57 3.20 -0.98 -1.20 116.97 120.54 2qwz h TYR 66 Ca 0.15 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 2qwz h TYR 66 Cb 0.65 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 2qwz h TYR 66 CO 0.04 0.45 0.38 0.00 -1.64 0.00 0.00 178.16 177.40 2qwz h ALA 67 N 1.19 0.84 -0.40 1.82 0.00 -0.07 -0.39 119.26 122.25 2qwz h ALA 67 Ca 0.20 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2qwz h ALA 67 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2qwz h ALA 67 CO -0.04 0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.55 2qwz h LEU 68 N 0.73 0.62 -0.19 0.00 5.85 -0.71 0.10 115.31 121.71 2qwz h LEU 68 Ca 0.27 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 2qwz h LEU 68 Cb 0.08 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2qwz h LEU 68 CO -0.13 0.69 -0.18 0.58 -0.34 0.00 0.00 178.44 179.06 2qwz h VAL 69 N 0.61 1.33 -0.62 1.05 2.07 -0.80 -3.05 116.25 116.84 2qwz h VAL 69 Ca 0.13 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.37 2qwz h VAL 69 Cb 0.40 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2qwz h VAL 69 CO 0.02 0.40 0.31 -0.07 0.02 0.00 0.00 177.57 178.25 2qwz h LEU 70 N 0.12 0.43 -1.61 2.57 3.38 -0.87 -1.25 115.31 118.09 2qwz h LEU 70 Ca 0.03 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.22 2qwz h LEU 70 Cb 0.72 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2qwz h LEU 70 CO 0.05 0.28 0.74 0.00 0.09 0.00 0.00 178.44 179.59 2qwz h ALA 71 N 1.35 2.41 0.00 1.53 0.00 -0.68 0.10 119.26 123.96 2qwz h ALA 71 Ca 0.29 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.84 2qwz h ALA 71 Cb 0.23 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2qwz h ALA 71 CO -0.21 -1.06 -2.25 0.72 0.00 0.00 0.00 179.25 176.45 2qwz n HIS 72 N -3.48 0.00 -0.01 0.00 8.25 -0.56 -0.59 115.22 118.83 2qwz n HIS 72 Ca 0.13 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.65 2qwz n HIS 72 Cb 0.96 -0.88 -0.14 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.84 0.18 0.00 2.41 4.77 -0.66 -4.44 117.00 116.42 2qwz n LEU 73 Ca -0.33 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2qwz n LEU 73 Cb 1.03 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 2qwz n LEU 73 CO 0.33 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2qwz n GLY 74 N 1.36 -1.88 0.16 -0.72 0.00 -0.02 -4.49 105.19 99.61 2qwz n GLY 74 Ca -0.10 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 0.48 0.00 1.61 3.08 -1.99 -3.19 114.38 114.37 2qwz h ARG 75 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2qwz h ARG 75 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2qwz h ARG 75 CO 0.00 0.57 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 2qwz n GLU 76 N -4.66 0.33 -3.97 0.04 1.02 -1.26 -4.75 120.64 107.39 2qwz n GLU 76 Ca -0.02 0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.82 2qwz n GLU 76 Cb 0.20 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.21 3.70 -0.78 0.62 0.00 -1.21 -5.05 121.76 116.83 2qwz s ALA 77 Ca 0.17 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.47 2qwz s ALA 77 Cb 0.09 -1.89 0.20 0.00 0.00 0.00 0.00 23.12 21.52 2qwz s ALA 77 CO 0.17 0.53 0.66 1.28 0.00 0.00 0.00 175.76 178.40 2qwz n LEU 78 N 2.31 3.64 -4.72 0.00 4.77 -1.26 -4.95 117.00 116.79 2qwz n LEU 78 Ca -0.19 -5.22 -0.42 0.00 -0.03 0.00 0.00 56.01 50.15 2qwz n LEU 78 Cb 0.54 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 2qwz n LEU 78 CO 0.31 1.72 1.07 0.00 -1.33 0.00 0.00 177.39 179.17 2qwz s ALA 79 N -1.61 3.60 -0.15 -1.18 0.00 -1.26 -4.25 121.76 116.91 2qwz s ALA 79 Ca 0.28 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2qwz s ALA 79 Cb -0.03 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.58 2qwz s ALA 79 CO -0.13 -0.62 -0.11 0.08 0.00 0.00 0.00 175.76 174.98 2qwz s VAL 80 N 1.02 1.42 0.15 0.00 1.01 -0.54 -4.92 120.40 118.53 2qwz s VAL 80 Ca 0.64 -0.63 -0.33 0.00 0.00 0.00 0.00 61.98 61.67 2qwz s VAL 80 Cb -0.37 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.48 2qwz s VAL 80 CO 0.31 0.35 1.72 0.41 0.00 0.00 0.00 175.10 177.88 2qwz n THR 81 N 4.80 0.13 -0.06 3.92 -1.04 -1.26 0.03 114.28 120.80 2qwz n THR 81 Ca -0.15 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.76 2qwz n THR 81 Cb 0.49 -1.87 -0.08 0.00 -1.82 0.00 0.00 70.33 67.06 2qwz n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qwz n THR 82 N 4.05 0.79 -3.93 12.58 -2.24 -0.48 -4.83 114.28 120.22 2qwz n THR 82 Ca 0.17 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2qwz n THR 82 Cb 0.33 -0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -4.90 0.15 -0.06 3.42 3.84 -1.09 -5.00 114.94 111.29 2qwz s ASN 83 Ca -0.13 -0.40 -0.04 0.00 0.21 0.00 0.00 52.86 52.50 2qwz s ASN 83 Cb 0.04 0.17 0.03 0.00 -0.55 0.00 0.00 41.25 40.93 2qwz s ASN 83 CO 0.39 -0.37 0.16 0.00 -2.79 0.00 0.00 177.10 174.48 2qwz s ALA 84 N -1.70 -0.35 0.02 1.71 0.00 -1.26 -1.13 121.76 119.05 2qwz s ALA 84 Ca -0.13 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.41 2qwz s ALA 84 Cb -0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2qwz s ALA 84 CO -0.01 -0.11 -0.07 -1.54 0.00 0.00 0.00 175.76 174.03 2qwz s SER 85 N 0.56 0.78 -0.01 0.00 1.04 -0.17 -5.00 113.70 110.90 2qwz s SER 85 Ca -0.04 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2qwz s SER 85 Cb -0.06 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2qwz s SER 85 CO -0.03 -0.04 -0.05 -0.76 0.98 0.00 0.00 173.24 173.34 2qwz s LEU 86 N -0.76 1.86 -0.15 2.42 1.02 -1.26 -1.45 118.68 120.36 2qwz s LEU 86 Ca -0.03 -0.10 -0.00 0.00 0.02 0.00 0.00 54.13 54.02 2qwz s LEU 86 Cb -0.06 -0.31 -0.01 0.00 0.02 0.00 0.00 46.19 45.84 2qwz s LEU 86 CO 0.00 0.04 -0.14 -1.81 0.02 0.00 0.00 176.35 174.46 2qwz s ASP 87 N 0.09 3.80 0.12 2.29 1.01 0.11 -4.99 116.67 119.11 2qwz s ASP 87 Ca -0.01 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.86 2qwz s ASP 87 Cb -0.05 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 2qwz s ASP 87 CO -0.00 0.10 0.18 -0.36 0.21 0.00 0.00 175.17 175.30 2qwz s PHE 88 N 0.71 3.32 0.81 4.23 0.08 -1.26 -1.24 117.98 124.64 2qwz s PHE 88 Ca -0.06 0.09 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 2qwz s PHE 88 Cb -0.15 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.67 2qwz s PHE 88 CO 0.02 0.53 0.55 0.54 -0.10 0.00 0.00 175.22 176.76 2qwz n ARG 90 N -0.10 0.09 -2.30 0.44 1.74 -0.76 -5.00 116.66 110.77 2qwz n ARG 90 Ca -0.07 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 2qwz n ARG 90 Cb 0.53 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 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 -3.21 4.49 0.89 5.56 0.00 -1.26 -4.70 119.74 121.52 2qwz s LYS 91 Ca 0.63 2.00 -0.12 0.00 0.00 0.00 0.00 55.97 58.48 2qwz s LYS 91 Cb -0.29 -3.15 0.10 0.00 0.00 0.00 0.00 37.83 34.48 2qwz s LYS 91 CO 0.61 -0.03 0.93 -2.30 0.00 0.00 0.00 175.35 174.56 2qwz n PRO 92 N 1.36 -0.25 -2.56 1.78 -0.02 -1.26 -4.95 135.00 129.11 2qwz n PRO 92 Ca 0.01 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2qwz n PRO 92 Cb 0.43 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 -4.16 4.51 0.12 -0.52 2.56 -1.26 -4.95 118.70 115.01 2qwz s GLU 93 Ca 0.65 1.62 -0.30 0.00 0.00 0.00 0.00 54.97 56.94 2qwz s GLU 93 Cb -0.24 -3.38 -0.06 0.00 2.00 0.00 0.00 34.13 32.44 2qwz s GLU 93 CO 0.59 -0.12 1.00 0.45 -0.56 0.00 0.00 175.26 176.61 2qwz s SER 94 N 0.87 7.44 0.00 -1.70 0.15 -1.26 -3.61 113.70 115.60 2qwz s SER 94 Ca 0.55 1.86 0.00 0.00 0.70 0.00 0.00 55.95 59.06 2qwz s SER 94 Cb -0.26 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 2qwz s SER 94 CO 0.29 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2qwz n GLY 95 N 2.23 0.62 3.34 9.45 0.00 -1.26 -5.03 105.19 114.54 2qwz n GLY 95 Ca 0.03 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.57 1.34 0.88 1.61 0.52 -1.24 -5.07 118.95 116.42 2qwz s ARG 96 Ca 0.00 -1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 53.86 2qwz s ARG 96 Cb 0.00 -1.70 0.12 0.00 0.52 0.00 0.00 34.95 33.89 2qwz s ARG 96 CO 0.00 0.41 1.09 -0.51 0.02 0.00 0.00 175.30 176.31 2qwz s ASP 97 N -1.87 3.57 -0.09 0.23 1.01 -1.26 -4.73 116.67 113.53 2qwz s ASP 97 Ca 0.11 1.63 0.01 0.00 0.71 0.00 0.00 52.55 55.01 2qwz s ASP 97 Cb -0.10 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 2qwz s ASP 97 CO 0.05 -2.60 -0.10 -0.22 0.21 0.00 0.00 175.17 172.50 2qwz s LEU 98 N -6.23 2.93 -0.11 1.23 2.96 -1.05 -1.66 118.68 116.75 2qwz s LEU 98 Ca 0.63 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 2qwz s LEU 98 Cb -0.18 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2qwz s LEU 98 CO 0.57 0.29 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.94 2qwz s LEU 99 N -0.37 2.36 -0.29 -0.68 1.43 0.58 -0.50 118.68 121.21 2qwz s LEU 99 Ca 0.05 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2qwz s LEU 99 Cb -0.12 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.61 2qwz s LEU 99 CO 0.02 0.17 0.07 -0.83 0.23 0.00 0.00 176.35 176.01 2qwz s GLY 100 N 0.32 1.78 -0.59 -3.19 0.00 -1.26 -0.77 107.32 103.60 2qwz s GLY 100 Ca -0.15 -1.46 -0.17 0.00 0.00 0.00 0.00 44.72 42.94 2qwz s GLY 100 CO 0.07 0.64 0.59 1.20 0.00 0.00 0.00 173.10 175.61 2qwz s GLN 101 N 1.48 3.07 0.15 2.90 -0.21 -0.21 -4.16 119.66 122.68 2qwz s GLN 101 Ca 0.02 -1.66 -0.08 0.00 0.02 0.00 0.00 55.36 53.66 2qwz s GLN 101 Cb -0.17 -4.31 -0.06 0.00 1.00 0.00 0.00 33.01 29.46 2qwz s GLN 101 CO 0.02 -1.40 0.44 0.00 -2.12 0.00 0.00 175.29 172.23 2qwz s ALA 102 N 1.81 3.70 0.04 6.09 0.00 -0.57 -1.60 121.76 131.24 2qwz s ALA 102 Ca 0.07 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.67 2qwz s ALA 102 Cb -0.26 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 2qwz s ALA 102 CO 0.03 0.59 -0.14 -0.98 0.00 0.00 0.00 175.76 175.26 2qwz s ARG 103 N -2.44 0.89 -0.09 0.00 1.70 0.72 -2.41 118.95 117.32 2qwz s ARG 103 Ca 0.40 -0.77 -0.18 0.00 -0.47 0.00 0.00 55.73 54.71 2qwz s ARG 103 Cb -0.13 -0.88 -0.05 0.00 -0.57 0.00 0.00 34.95 33.33 2qwz s ARG 103 CO 0.21 0.21 0.49 -1.17 -1.08 0.00 0.00 175.30 173.97 2qwz s LEU 104 N -1.21 4.32 -0.08 -1.89 2.96 -0.53 -1.10 118.68 121.15 2qwz s LEU 104 Ca 0.01 0.89 0.11 0.00 -0.22 0.00 0.00 54.13 54.92 2qwz s LEU 104 Cb -0.08 -2.73 -0.16 0.00 0.50 0.00 0.00 46.19 43.72 2qwz s LEU 104 CO 0.01 0.05 0.12 0.18 -1.32 0.00 0.00 176.35 175.40 2qwz n LEU 105 N 3.31 0.00 -3.62 -0.68 4.77 -0.11 -4.87 117.00 115.81 2qwz n LEU 105 Ca -0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.77 2qwz n LEU 105 Cb 0.52 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.73 2qwz n LEU 105 CO 0.43 0.19 0.47 -0.75 -1.33 0.00 0.00 177.39 176.40 2qwz s LYS 106 N -2.49 0.81 -0.33 3.23 2.20 -0.86 -4.80 119.74 117.51 2qwz s LYS 106 Ca -0.05 0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 56.39 2qwz s LYS 106 Cb 0.05 0.39 0.12 0.00 -1.51 0.00 0.00 37.83 36.89 2qwz s LYS 106 CO 0.49 -0.12 0.18 -1.17 -0.36 0.00 0.00 175.35 174.38 2qwz s LEU 107 N 0.17 0.76 0.00 5.43 2.96 -1.26 -1.38 118.68 125.35 2qwz s LEU 107 Ca -0.01 -1.80 0.00 0.00 -0.22 0.00 0.00 54.13 52.11 2qwz s LEU 107 Cb -0.04 -0.34 0.00 0.00 0.50 0.00 0.00 46.19 46.30 2qwz s LEU 107 CO 0.01 -0.36 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2qwz n GLY 108 N 4.55 2.34 0.07 7.98 0.00 0.33 -4.83 105.19 115.63 2qwz n GLY 108 Ca 0.05 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.05 0.00 1.61 -0.00 -2.00 -3.39 114.38 110.55 2qwz h ARG 109 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2qwz h ARG 109 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 29.97 29.98 2qwz h ARG 109 CO 0.00 0.42 -1.23 0.25 0.00 0.00 0.00 179.97 179.41 2qwz n THR 110 N -4.88 0.00 -4.07 2.04 -2.24 -1.26 -4.77 114.28 99.10 2qwz n THR 110 Ca -0.08 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 2qwz n THR 110 Cb 0.25 0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.41 2.14 -0.01 3.22 1.43 -1.26 -0.10 118.68 120.69 2qwz s LEU 111 Ca -0.02 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2qwz s LEU 111 Cb 0.06 -0.15 -0.01 0.00 0.03 0.00 0.00 46.19 46.11 2qwz s LEU 111 CO 0.36 -0.10 -0.15 0.00 0.23 0.00 0.00 176.35 176.70 2qwz s ALA 112 N -0.78 1.26 -0.02 4.21 0.00 -0.19 -0.52 121.76 125.72 2qwz s ALA 112 Ca -0.05 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2qwz s ALA 112 Cb -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2qwz s ALA 112 CO -0.00 0.31 -0.07 0.08 0.00 0.00 0.00 175.76 176.08 2qwz s VAL 113 N -0.38 0.58 0.12 0.00 1.01 -0.48 -0.53 120.40 120.72 2qwz s VAL 113 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2qwz s VAL 113 Cb -0.06 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 2qwz s VAL 113 CO -0.00 0.18 0.24 -0.83 0.00 0.00 0.00 175.10 174.69 2qwz s GLY 114 N 0.10 0.18 0.21 4.51 0.00 -1.26 -0.93 107.32 110.13 2qwz s GLY 114 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2qwz s GLY 114 CO -0.00 -0.76 0.10 0.51 0.00 0.00 0.00 173.10 172.94 2qwz s ASP 115 N -2.89 0.71 -0.15 1.64 1.47 -0.26 -4.40 116.67 112.79 2qwz s ASP 115 Ca 0.09 -1.35 -0.20 0.00 1.18 0.00 0.00 52.55 52.26 2qwz s ASP 115 Cb 0.04 0.25 0.05 0.00 -0.34 0.00 0.00 42.92 42.93 2qwz s ASP 115 CO -0.08 -0.76 0.53 -0.51 0.68 0.00 0.00 175.17 175.04 2qwz s ILE 116 N -3.93 0.01 -0.04 2.11 2.07 0.34 -0.20 121.20 121.56 2qwz s ILE 116 Ca 0.36 -0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.57 2qwz s ILE 116 Cb 0.07 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 2qwz s ILE 116 CO 0.11 -0.04 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.15 2qwz s LEU 117 N -0.24 2.45 -0.11 8.50 1.43 -0.62 -1.07 118.68 129.00 2qwz s LEU 117 Ca -0.04 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2qwz s LEU 117 Cb -0.03 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 2qwz s LEU 117 CO 0.03 0.32 -0.11 -0.76 0.23 0.00 0.00 176.35 176.06 2qwz s LEU 118 N -0.59 2.87 0.07 1.79 1.02 0.22 -1.04 118.68 123.01 2qwz s LEU 118 Ca 0.09 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 54.05 2qwz s LEU 118 Cb -0.11 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 2qwz s LEU 118 CO 0.01 0.22 -0.15 -0.36 0.02 0.00 0.00 176.35 176.08 2qwz s PHE 119 N 0.05 1.27 0.13 0.29 0.40 0.05 -0.25 117.98 119.92 2qwz s PHE 119 Ca -0.04 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 2qwz s PHE 119 Cb -0.14 -0.72 -0.07 0.00 0.51 0.00 0.00 43.02 42.60 2qwz s PHE 119 CO 0.04 0.07 1.08 -1.12 0.70 0.00 0.00 175.22 175.99 2qwz s SER 120 N -1.64 7.28 0.20 1.36 0.01 -1.26 -0.31 113.70 119.34 2qwz s SER 120 Ca -0.01 1.99 -0.30 0.00 1.31 0.00 0.00 55.95 58.94 2qwz s SER 120 Cb -0.10 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 2qwz s SER 120 CO 0.02 -0.24 1.41 -0.70 0.41 0.00 0.00 173.24 174.14 2qwz s GLU 121 N 0.07 4.30 0.00 12.44 2.12 -0.66 -4.75 118.70 132.23 2qwz s GLU 121 Ca 0.51 2.20 0.00 0.00 0.36 0.00 0.00 54.97 58.04 2qwz s GLU 121 Cb -0.28 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2qwz s GLU 121 CO 0.32 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2qwz n GLY 122 N 2.74 0.70 0.13 -1.50 0.00 -1.26 -4.87 105.19 101.12 2qwz n GLY 122 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.18 0.00 -2.41 1.61 1.02 -1.26 -5.24 120.64 113.18 2qwz n GLU 124 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2qwz n GLU 124 Cb 0.42 -0.73 -0.02 0.00 -0.02 0.00 0.00 31.44 31.09 2qwz n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qwz s ALA 125 N -1.60 3.63 0.19 0.62 0.00 -1.26 -4.97 121.76 118.38 2qwz s ALA 125 Ca 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 2qwz s ALA 125 Cb 0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 2qwz s ALA 125 CO 0.00 -1.24 1.50 -1.25 0.00 0.00 0.00 175.76 174.77 2qwz s PRO 126 N 3.59 4.25 0.29 0.00 0.04 -1.26 -4.75 135.00 137.15 2qwz s PRO 126 Ca 0.55 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.96 2qwz s PRO 126 Cb -0.22 -3.15 0.44 0.00 0.04 0.00 0.00 34.50 31.62 2qwz s PRO 126 CO 0.16 -0.51 1.69 -0.39 0.04 0.00 0.00 177.00 177.98 2qwz h VAL 127 N 3.87 1.31 -2.54 -0.36 -1.51 -0.90 -3.40 116.25 112.72 2qwz h VAL 127 Ca -0.44 -1.55 -0.09 0.00 -1.23 0.00 0.00 66.70 63.40 2qwz h VAL 127 Cb 1.21 1.70 -0.20 0.00 -2.13 0.00 0.00 31.29 31.87 2qwz h VAL 127 CO 0.86 0.46 -0.06 0.00 -1.23 0.00 0.00 177.57 177.60 2qwz s ALA 128 N -4.12 -1.25 0.15 5.19 0.00 -1.10 -1.82 121.76 118.80 2qwz s ALA 128 Ca -0.04 0.87 0.11 0.00 0.00 0.00 0.00 51.96 52.89 2qwz s ALA 128 Cb 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2qwz s ALA 128 CO 0.77 -0.30 -0.25 -0.98 0.00 0.00 0.00 175.76 175.00 2qwz s ARG 129 N -1.09 1.40 0.02 0.00 1.04 -0.37 -0.61 118.95 119.34 2qwz s ARG 129 Ca -0.11 -1.39 -0.16 0.00 -1.04 0.00 0.00 55.73 53.03 2qwz s ARG 129 Cb -0.03 -1.78 0.03 0.00 -2.04 0.00 0.00 34.95 31.13 2qwz s ARG 129 CO 0.06 0.41 0.34 0.45 -0.04 0.00 0.00 175.30 176.52 2qwz s SER 130 N -2.28 -0.21 0.48 -2.89 0.15 -0.24 0.05 113.70 108.77 2qwz s SER 130 Ca 0.15 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.82 2qwz s SER 130 Cb -0.09 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2qwz s SER 130 CO 0.07 -0.56 0.06 -0.89 1.20 0.00 0.00 173.24 173.12 2qwz s THR 131 N -1.98 0.84 -0.29 6.45 2.01 -0.53 -0.50 115.64 121.64 2qwz s THR 131 Ca -0.09 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 59.67 2qwz s THR 131 Cb -0.03 -2.16 0.18 0.00 0.01 0.00 0.00 72.50 70.51 2qwz s THR 131 CO 0.01 0.00 1.35 -0.89 -0.69 0.00 0.00 174.62 174.40 2qwz s THR 133 N -3.01 0.00 0.01 -0.82 2.01 -0.29 -1.00 115.64 112.54 2qwz s THR 133 Ca 0.10 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.15 2qwz s THR 133 Cb 0.01 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2qwz s THR 133 CO 0.07 0.00 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.55 2qwz s TYR 134 N 0.12 1.23 -0.09 4.92 1.51 0.31 -1.38 117.35 123.97 2qwz s TYR 134 Ca 0.06 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.68 2qwz s TYR 134 Cb -0.05 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 2qwz s TYR 134 CO -0.14 0.01 0.40 0.45 -1.11 0.00 0.00 175.55 175.16 2qwz s SER 135 N -0.70 6.66 -0.32 2.29 0.15 0.10 -1.03 113.70 120.85 2qwz s SER 135 Ca 0.04 0.78 -0.08 0.00 0.70 0.00 0.00 55.95 57.39 2qwz s SER 135 Cb -0.06 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.02 2qwz s SER 135 CO 0.00 0.15 0.12 -0.63 1.20 0.00 0.00 173.24 174.08 2qwz s ILE 136 N -0.05 4.11 1.08 6.45 1.01 0.85 -1.47 121.20 133.18 2qwz s ILE 136 Ca 0.23 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 2qwz s ILE 136 Cb -0.15 -3.21 0.24 0.00 0.01 0.00 0.00 42.46 39.35 2qwz s ILE 136 CO 0.10 -0.06 1.17 -2.84 0.00 0.00 0.00 174.94 173.31 2qwz s PRO 137 N 1.50 -0.26 0.00 2.79 0.02 -1.26 -4.47 135.00 133.31 2qwz s PRO 137 Ca 0.01 -0.09 0.19 0.00 0.02 0.00 0.00 61.00 61.14 2qwz s PRO 137 Cb -0.18 -1.71 0.15 0.00 0.02 0.00 0.00 34.50 32.78 2qwz s PRO 137 CO 0.04 -3.07 1.10 -0.35 -0.33 0.00 0.00 177.00 174.39