#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1opy s LEU 3 N 0.00 4.04 0.33 1.20 2.96 -1.23 -3.02 118.68 122.97 1opy s LEU 3 Ca 0.00 1.97 -0.28 0.00 -0.22 0.00 0.00 54.13 55.59 1opy s LEU 3 Cb 0.00 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.03 1opy s LEU 3 CO 0.00 -1.20 1.28 -0.81 -1.32 0.00 0.00 176.35 174.30 1opy n PRO 4 N 7.59 2.06 -1.74 0.98 -0.04 -1.26 -4.97 135.00 137.63 1opy n PRO 4 Ca 0.20 0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 64.08 1opy n PRO 4 Cb 0.44 -2.30 0.17 0.00 -0.04 0.00 0.00 33.50 31.77 1opy n PRO 4 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1opy s THR 5 N -0.99 1.94 0.22 0.52 -4.23 -1.26 -4.17 115.64 107.66 1opy s THR 5 Ca 0.57 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.99 1opy s THR 5 Cb -0.59 -2.89 0.16 0.00 1.34 0.00 0.00 72.50 70.53 1opy s THR 5 CO 0.61 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.53 1opy h ALA 6 N -1.68 0.97 -0.58 3.99 0.00 -1.90 0.29 119.26 120.35 1opy h ALA 6 Ca -0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1opy h ALA 6 Cb 1.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1opy h ALA 6 CO 0.45 0.19 0.06 1.96 0.00 0.00 0.00 179.25 181.91 1opy h GLN 7 N 0.85 0.95 -0.30 0.00 4.20 -1.93 -2.35 115.11 116.54 1opy h GLN 7 Ca 0.31 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 1opy h GLN 7 Cb 0.09 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1opy h GLN 7 CO -0.14 0.90 -0.38 0.93 -0.67 0.00 0.00 178.83 179.48 1opy h GLU 8 N 0.89 0.69 -0.80 1.46 5.08 -1.65 -2.43 114.58 117.81 1opy h GLU 8 Ca 0.18 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1opy h GLU 8 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1opy h GLU 8 CO 0.02 0.95 0.39 0.28 -1.00 0.00 0.00 179.01 179.65 1opy h VAL 9 N 0.57 1.25 -0.63 3.13 2.07 -0.79 0.38 116.25 122.23 1opy h VAL 9 Ca 0.05 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1opy h VAL 9 Cb 0.90 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1opy h VAL 9 CO 0.08 0.30 0.32 1.56 0.02 0.00 0.00 177.57 179.85 1opy h GLN 10 N 1.14 0.90 -0.52 1.57 4.20 -1.19 -1.47 115.11 119.74 1opy h GLN 10 Ca 0.28 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1opy h GLN 10 Cb 0.12 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1opy h GLN 10 CO -0.04 0.71 -0.16 0.78 -0.67 0.00 0.00 178.83 179.46 1opy h GLY 11 N 0.87 1.10 0.96 3.46 0.00 -0.92 -2.27 103.07 106.27 1opy h GLY 11 Ca 0.22 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1opy h GLY 11 CO -0.03 0.85 0.05 1.41 0.00 0.00 0.00 176.54 178.82 1opy h LEU 12 N 0.89 0.70 -0.91 3.11 3.38 -0.69 -1.98 115.31 119.81 1opy h LEU 12 Ca 0.13 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1opy h LEU 12 Cb 0.73 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1opy h LEU 12 CO 0.06 0.80 -0.50 0.24 0.09 0.00 0.00 178.44 179.13 1opy h MET 13 N 0.58 0.10 -0.27 1.13 2.86 -1.27 -1.38 114.93 116.67 1opy h MET 13 Ca 0.13 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 1opy h MET 13 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1opy h MET 13 CO 0.01 0.58 -0.46 0.00 1.06 0.00 0.00 176.91 178.11 1opy h ALA 14 N 1.41 0.67 -0.54 6.32 0.00 -1.32 -2.84 119.26 122.95 1opy h ALA 14 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1opy h ALA 14 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1opy h ALA 14 CO 0.07 0.67 0.21 -0.09 0.00 0.00 0.00 179.25 180.11 1opy h ARG 15 N 0.57 0.82 -0.64 0.00 2.43 -1.05 -2.24 114.38 114.28 1opy h ARG 15 Ca 0.03 -0.16 0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1opy h ARG 15 Cb 1.02 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 1opy h ARG 15 CO 0.10 0.72 0.25 -0.92 -1.51 0.00 0.00 179.97 178.61 1opy h TYR 16 N 0.74 0.44 -0.17 2.20 3.20 -1.08 -0.62 116.97 121.68 1opy h TYR 16 Ca 0.18 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 1opy h TYR 16 Cb 0.22 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1opy h TYR 16 CO 0.01 0.11 -0.25 0.82 -1.64 0.00 0.00 178.16 177.21 1opy h ILE 17 N 0.43 1.25 -0.36 1.81 1.08 -1.25 -1.54 117.51 118.94 1opy h ILE 17 Ca 0.33 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 1opy h ILE 17 Cb 0.41 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 1opy h ILE 17 CO -0.32 0.36 0.18 -0.33 -0.69 0.00 0.00 178.15 177.35 1opy h GLU 18 N 0.28 0.51 -0.59 2.37 3.07 -0.59 -0.74 114.58 118.89 1opy h GLU 18 Ca 0.04 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1opy h GLU 18 Cb 0.60 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 1opy h GLU 18 CO 0.04 0.45 0.08 -0.07 -1.40 0.00 0.00 179.01 178.11 1opy h LEU 19 N 0.44 0.95 -0.67 1.33 3.38 -0.89 -2.01 115.31 117.85 1opy h LEU 19 Ca 0.12 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1opy h LEU 19 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1opy h LEU 19 CO -0.02 0.98 0.08 0.58 0.09 0.00 0.00 178.44 180.15 1opy h VAL 20 N 0.88 1.27 -0.31 1.22 2.07 -1.15 0.80 116.25 121.03 1opy h VAL 20 Ca 0.18 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1opy h VAL 20 Cb 0.44 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1opy h VAL 20 CO 0.01 0.40 0.17 -0.78 0.02 0.00 0.00 177.57 177.39 1opy h ASP 21 N 1.04 0.38 1.30 0.57 3.58 -0.89 -2.81 116.42 119.59 1opy h ASP 21 Ca 0.20 -0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1opy h ASP 21 Cb 0.47 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1opy h ASP 21 CO 0.02 0.36 -0.46 -0.37 -2.88 0.00 0.00 179.24 175.91 1opy h VAL 22 N 0.37 0.85 -0.20 2.25 -1.51 -1.32 -3.43 116.25 113.27 1opy h VAL 22 Ca 0.11 -2.00 0.00 0.00 -1.23 0.00 0.00 66.70 63.57 1opy h VAL 22 Cb 0.07 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1opy h VAL 22 CO -0.02 0.45 0.00 0.61 -1.23 0.00 0.00 177.57 177.39 1opy n GLY 23 N 0.93 0.81 3.48 5.19 0.00 0.22 -4.99 105.19 110.83 1opy n GLY 23 Ca 0.01 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1opy n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1opy s ASP 24 N -2.77 6.80 0.24 1.61 -1.08 -0.88 -4.86 116.67 115.73 1opy s ASP 24 Ca 0.00 -2.36 -0.05 0.00 -0.52 0.00 0.00 52.55 49.62 1opy s ASP 24 Cb 0.00 -2.44 0.39 0.00 -1.46 0.00 0.00 42.92 39.41 1opy s ASP 24 CO 0.00 -1.01 1.80 0.40 0.52 0.00 0.00 175.17 176.88 1opy h ILE 25 N 5.49 0.90 -0.38 4.11 2.04 -1.94 -1.65 117.51 126.07 1opy h ILE 25 Ca 0.25 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1opy h ILE 25 Cb 0.95 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1opy h ILE 25 CO 1.23 0.14 -0.10 -0.33 0.00 0.00 0.00 178.15 179.08 1opy h GLU 26 N 0.76 0.67 -0.10 2.37 5.08 -1.99 -1.30 114.58 120.06 1opy h GLU 26 Ca 0.39 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.38 1opy h GLU 26 Cb 0.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1opy h GLU 26 CO -0.25 0.76 -0.65 0.00 -1.00 0.00 0.00 179.01 177.87 1opy h ALA 27 N 1.28 0.70 0.05 3.43 0.00 -1.85 -2.81 119.26 120.06 1opy h ALA 27 Ca 0.11 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1opy h ALA 27 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1opy h ALA 27 CO 0.03 0.74 -0.02 0.82 0.00 0.00 0.00 179.25 180.81 1opy h ILE 28 N 0.28 1.15 -0.50 0.00 2.04 -1.00 -3.01 117.51 116.46 1opy h ILE 28 Ca -0.01 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.27 1opy h ILE 28 Cb 1.19 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 1opy h ILE 28 CO 0.11 0.16 0.34 0.58 0.00 0.00 0.00 178.15 179.34 1opy h VAL 29 N -0.35 0.95 0.00 1.67 2.07 -1.28 -1.13 116.25 118.18 1opy h VAL 29 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1opy h VAL 29 Cb 0.32 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1opy h VAL 29 CO 0.01 0.07 0.00 -0.61 0.02 0.00 0.00 177.57 177.06 1opy h GLN 30 N 0.40 0.00 0.00 1.57 5.75 -1.37 -2.63 115.11 118.84 1opy h GLN 30 Ca 0.22 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1opy h GLN 30 Cb 0.35 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1opy h GLN 30 CO -0.06 0.00 -0.11 0.52 -2.65 0.00 0.00 178.83 176.53 1opy h MET 31 N 0.00 0.00 -6.84 1.69 2.86 -1.12 -3.45 114.93 108.07 1opy h MET 31 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1opy h MET 31 Cb 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1opy h MET 31 CO 0.00 0.11 0.13 0.71 1.06 0.00 0.00 176.91 178.92 1opy s TYR 32 N -3.37 3.45 0.63 -0.22 2.02 -0.99 -1.12 117.35 117.75 1opy s TYR 32 Ca 0.04 1.11 -0.15 0.00 -0.37 0.00 0.00 57.07 57.70 1opy s TYR 32 Cb 0.07 -2.49 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 1opy s TYR 32 CO 0.64 -0.08 1.08 0.00 -1.57 0.00 0.00 175.55 175.62 1opy s ALA 33 N -2.30 2.62 0.57 3.71 0.00 -0.45 -4.74 121.76 121.17 1opy s ALA 33 Ca 0.52 0.42 0.27 0.00 0.00 0.00 0.00 51.96 53.17 1opy s ALA 33 Cb -0.10 -3.26 1.64 0.00 0.00 0.00 0.00 23.12 21.40 1opy s ALA 33 CO 0.28 -1.04 2.17 0.38 0.00 0.00 0.00 175.76 177.55 1opy h ASP 34 N 0.16 0.00 -0.07 0.00 2.03 -1.94 -2.41 116.42 114.19 1opy h ASP 34 Ca -0.46 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.81 1opy h ASP 34 Cb 1.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 1opy h ASP 34 CO 0.56 0.00 -0.23 -0.90 -1.03 0.00 0.00 179.24 177.64 1opy n ASP 35 N -3.99 2.22 -4.70 4.15 5.75 -1.26 -1.74 116.55 116.98 1opy n ASP 35 Ca -0.01 -3.54 -0.31 0.00 -0.01 0.00 0.00 54.79 50.93 1opy n ASP 35 Cb 0.20 -0.51 0.14 0.00 -1.03 0.00 0.00 41.12 39.92 1opy n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1opy s ALA 36 N -3.09 1.67 0.10 2.12 0.00 -0.91 -4.30 121.76 117.35 1opy s ALA 36 Ca 0.37 0.41 0.10 0.00 0.00 0.00 0.00 51.96 52.84 1opy s ALA 36 Cb 0.34 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1opy s ALA 36 CO -0.01 -2.44 -0.25 0.95 0.00 0.00 0.00 175.76 174.01 1opy s THR 37 N -2.75 2.08 -0.04 0.00 -4.23 -1.11 -0.52 115.64 109.07 1opy s THR 37 Ca 0.65 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 1opy s THR 37 Cb -0.21 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1opy s THR 37 CO 0.57 0.15 -0.10 -0.69 -0.54 0.00 0.00 174.62 174.01 1opy s VAL 38 N -0.99 0.93 -0.39 2.29 1.01 -0.20 -2.12 120.40 120.94 1opy s VAL 38 Ca 0.11 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1opy s VAL 38 Cb -0.10 -0.84 0.11 0.00 0.00 0.00 0.00 36.38 35.55 1opy s VAL 38 CO 0.04 0.29 0.15 -1.61 0.00 0.00 0.00 175.10 173.97 1opy s GLU 39 N 0.38 1.35 -0.18 2.72 2.02 -0.19 -1.06 118.70 123.74 1opy s GLU 39 Ca -0.07 -1.86 -0.04 0.00 0.02 0.00 0.00 54.97 53.02 1opy s GLU 39 Cb -0.12 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.44 1opy s GLU 39 CO 0.02 -1.04 0.07 0.34 0.02 0.00 0.00 175.26 174.67 1opy s ASP 40 N 0.71 2.55 0.52 -0.19 -1.08 -1.26 -1.01 116.67 116.91 1opy s ASP 40 Ca 0.13 -0.69 -0.14 0.00 -0.52 0.00 0.00 52.55 51.33 1opy s ASP 40 Cb -0.21 -0.36 -0.07 0.00 -1.46 0.00 0.00 42.92 40.82 1opy s ASP 40 CO -0.09 -0.34 0.96 -2.16 0.52 0.00 0.00 175.17 174.07 1opy s PRO 41 N 2.04 3.84 0.31 4.34 0.04 -1.26 -4.95 135.00 139.37 1opy s PRO 41 Ca 0.01 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 1opy s PRO 41 Cb -0.16 -2.17 -0.12 0.00 0.04 0.00 0.00 34.50 32.10 1opy s PRO 41 CO -0.09 -0.30 1.55 0.34 0.04 0.00 0.00 177.00 178.54 1opy n PHE 42 N -1.81 2.83 0.00 0.56 7.35 0.90 -1.63 117.46 125.65 1opy n PHE 42 Ca 0.06 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1opy n PHE 42 Cb 0.54 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.80 1opy n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1opy n GLY 43 N 1.75 1.29 3.88 7.13 0.00 -1.26 -4.92 105.19 113.06 1opy n GLY 43 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1opy n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1opy s GLN 44 N -0.05 3.77 0.41 1.61 2.00 -0.65 -5.04 119.66 121.72 1opy s GLN 44 Ca 0.00 0.32 -0.26 0.00 -2.00 0.00 0.00 55.36 53.42 1opy s GLN 44 Cb 0.00 -2.52 -0.09 0.00 0.80 0.00 0.00 33.01 31.20 1opy s GLN 44 CO 0.00 0.14 1.33 -1.25 -0.50 0.00 0.00 175.29 175.01 1opy s PRO 45 N -3.42 3.93 0.69 1.67 0.04 -1.26 -4.77 135.00 131.88 1opy s PRO 45 Ca 0.49 2.22 -0.14 0.00 0.04 0.00 0.00 61.00 63.61 1opy s PRO 45 Cb -0.11 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.70 1opy s PRO 45 CO 0.27 -0.54 1.10 -1.25 0.04 0.00 0.00 177.00 176.62 1opy s PRO 46 N -2.26 2.65 -0.06 0.56 0.04 -1.26 -4.83 135.00 129.84 1opy s PRO 46 Ca 0.57 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 1opy s PRO 46 Cb -0.39 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1opy s PRO 46 CO 0.51 -1.35 -0.03 0.96 0.04 0.00 0.00 177.00 177.12 1opy s ILE 47 N -2.51 4.01 -0.01 0.56 -4.36 -0.22 -4.91 121.20 113.75 1opy s ILE 47 Ca 0.65 -0.42 0.07 0.00 -0.26 0.00 0.00 60.65 60.70 1opy s ILE 47 Cb -0.19 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 1opy s ILE 47 CO 0.46 0.56 -0.23 -2.28 0.24 0.00 0.00 174.94 173.69 1opy s HIS 48 N -0.89 2.09 0.00 1.37 2.46 -1.26 -1.03 115.29 118.03 1opy s HIS 48 Ca 0.14 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.27 1opy s HIS 48 Cb -0.11 -1.34 0.00 0.00 -0.13 0.00 0.00 32.58 31.00 1opy s HIS 48 CO 0.03 -0.02 0.00 0.41 -2.47 0.00 0.00 174.74 172.69 1opy n GLY 49 N 2.45 -1.47 0.37 1.59 0.00 0.33 -4.30 105.19 104.15 1opy n GLY 49 Ca -0.16 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.51 1opy n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1opy h ARG 50 N 0.00 0.77 0.33 1.61 3.08 -1.57 -1.35 114.38 117.25 1opy h ARG 50 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1opy h ARG 50 Cb 0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1opy h ARG 50 CO 0.00 0.51 -0.19 1.49 -1.07 0.00 0.00 179.97 180.71 1opy h GLU 51 N 0.80 -0.48 -0.15 0.04 4.81 -1.87 0.26 114.58 117.99 1opy h GLU 51 Ca 0.41 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1opy h GLU 51 Cb 0.51 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1opy h GLU 51 CO -0.18 -0.32 -0.19 1.96 -0.73 0.00 0.00 179.01 179.55 1opy h GLN 52 N -0.50 0.25 -0.32 1.92 4.20 -1.67 -1.97 115.11 117.02 1opy h GLN 52 Ca -0.04 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 1opy h GLN 52 Cb 0.41 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1opy h GLN 52 CO 0.04 0.44 -0.39 0.82 -0.67 0.00 0.00 178.83 179.07 1opy h ILE 53 N 0.23 1.29 -0.65 2.54 2.04 -0.88 -1.12 117.51 120.95 1opy h ILE 53 Ca 0.04 -1.57 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 1opy h ILE 53 Cb 0.48 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1opy h ILE 53 CO 0.03 0.51 0.20 0.00 0.00 0.00 0.00 178.15 178.89 1opy h ALA 54 N 0.72 0.86 -0.41 1.87 0.00 -0.19 -1.52 119.26 120.59 1opy h ALA 54 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1opy h ALA 54 Cb 0.98 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1opy h ALA 54 CO 0.09 0.54 0.26 0.00 0.00 0.00 0.00 179.25 180.14 1opy h ALA 55 N 1.08 0.51 -0.26 0.00 0.00 -1.24 0.07 119.26 119.43 1opy h ALA 55 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1opy h ALA 55 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1opy h ALA 55 CO -0.01 -0.02 0.05 0.35 0.00 0.00 0.00 179.25 179.63 1opy h PHE 56 N 0.55 0.09 -0.19 0.00 3.57 -0.82 -1.59 116.94 118.54 1opy h PHE 56 Ca 0.15 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1opy h PHE 56 Cb -0.05 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1opy h PHE 56 CO -0.04 0.02 -0.41 1.88 -2.23 0.00 0.00 178.31 177.53 1opy h TYR 57 N 0.15 0.53 -0.66 0.41 0.05 -0.96 -1.22 116.97 115.27 1opy h TYR 57 Ca 0.12 -0.15 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1opy h TYR 57 Cb 0.12 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1opy h TYR 57 CO -0.16 0.79 0.10 -0.09 -1.05 0.00 0.00 178.16 177.76 1opy h ARG 58 N 0.37 1.09 -0.28 4.88 2.43 -0.75 0.25 114.38 122.38 1opy h ARG 58 Ca 0.03 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 58.83 1opy h ARG 58 Cb 0.88 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1opy h ARG 58 CO 0.07 1.00 -0.14 0.37 -1.51 0.00 0.00 179.97 179.76 1opy h GLN 59 N 1.02 0.60 -0.09 0.20 5.75 -1.19 -3.20 115.11 118.20 1opy h GLN 59 Ca 0.20 -0.26 -0.16 0.00 -0.15 0.00 0.00 58.65 58.28 1opy h GLN 59 Cb 0.44 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1opy h GLN 59 CO 0.01 0.84 -0.62 0.78 -2.65 0.00 0.00 178.83 177.19 1opy h GLY 60 N 0.34 0.34 -5.46 2.39 0.00 -0.98 -3.51 103.07 96.19 1opy h GLY 60 Ca 0.06 -0.43 -0.67 0.00 0.00 0.00 0.00 47.33 46.29 1opy h GLY 60 CO 0.04 0.39 -0.60 1.08 0.00 0.00 0.00 176.54 177.45 1opy s LEU 61 N -7.98 3.70 -0.19 3.11 1.02 0.87 -5.04 118.68 114.16 1opy s LEU 61 Ca -0.05 0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 1opy s LEU 61 Cb 0.12 -1.87 -0.07 0.00 0.02 0.00 0.00 46.19 44.39 1opy s LEU 61 CO 0.81 0.35 0.84 1.17 0.02 0.00 0.00 176.35 179.53 1opy n LYS 65 N 2.36 0.00 -4.19 1.70 4.81 -1.26 -4.85 118.16 116.73 1opy n LYS 65 Ca -0.19 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.09 1opy n LYS 65 Cb 0.54 -0.62 -0.14 0.00 0.02 0.00 0.00 35.03 34.83 1opy n LYS 65 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1opy s VAL 66 N 0.00 0.46 -0.01 3.15 1.01 -1.26 -4.37 120.40 119.37 1opy s VAL 66 Ca 0.25 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1opy s VAL 66 Cb -0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1opy s VAL 66 CO 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 175.10 175.23 1opy s ARG 67 N -0.11 0.89 0.02 2.72 1.70 -0.80 -4.80 118.95 118.57 1opy s ARG 67 Ca 0.02 -0.37 0.05 0.00 -0.47 0.00 0.00 55.73 54.95 1opy s ARG 67 Cb -0.02 -0.86 -0.02 0.00 -0.57 0.00 0.00 34.95 33.48 1opy s ARG 67 CO -0.00 0.21 -0.14 0.00 -1.08 0.00 0.00 175.30 174.29 1opy s ALA 68 N -0.18 1.20 -0.05 7.88 0.00 -1.26 -0.54 121.76 128.81 1opy s ALA 68 Ca 0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 1opy s ALA 68 Cb -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1opy s ALA 68 CO -0.00 0.25 0.25 0.00 0.00 0.00 0.00 175.76 176.25 1opy s LEU 70 N -0.62 4.42 -0.01 0.00 1.43 -1.26 -1.56 118.68 121.08 1opy s LEU 70 Ca -0.07 2.46 0.13 0.00 -1.03 0.00 0.00 54.13 55.62 1opy s LEU 70 Cb -0.04 -3.62 0.39 0.00 0.03 0.00 0.00 46.19 42.95 1opy s LEU 70 CO 0.02 -0.53 1.32 0.35 0.23 0.00 0.00 176.35 177.74 1opy n THR 71 N 2.27 1.10 -3.60 5.49 -2.24 -0.46 -4.89 114.28 111.94 1opy n THR 71 Ca 0.05 -1.06 0.01 0.00 -2.27 0.00 0.00 64.05 60.78 1opy n THR 71 Cb 0.42 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1opy n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1opy s GLY 72 N -1.05 -0.41 0.77 3.38 0.00 -1.25 -4.98 107.32 103.79 1opy s GLY 72 Ca 0.29 0.97 -0.12 0.00 0.00 0.00 0.00 44.72 45.87 1opy s GLY 72 CO 0.18 0.23 1.12 2.56 0.00 0.00 0.00 173.10 177.19 1opy s PRO 73 N -2.30 2.11 -0.06 2.90 0.04 -1.26 -4.58 135.00 131.85 1opy s PRO 73 Ca 0.14 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1opy s PRO 73 Cb 0.04 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 1opy s PRO 73 CO -0.05 -1.78 1.00 0.08 0.04 0.00 0.00 177.00 176.30 1opy s VAL 74 N -2.67 4.80 -0.19 -0.36 1.01 -1.26 -4.49 120.40 117.25 1opy s VAL 74 Ca 0.64 2.04 -0.17 0.00 0.00 0.00 0.00 61.98 64.50 1opy s VAL 74 Cb -0.20 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1opy s VAL 74 CO 0.53 0.06 0.45 -0.13 0.00 0.00 0.00 175.10 176.01 1opy s ARG 75 N 1.63 4.20 0.04 2.72 3.00 0.41 -4.92 118.95 126.02 1opy s ARG 75 Ca 0.50 0.31 0.05 0.00 0.00 0.00 0.00 55.73 56.59 1opy s ARG 75 Cb -0.19 -3.53 -0.02 0.00 0.00 0.00 0.00 34.95 31.20 1opy s ARG 75 CO 0.22 -0.05 -0.14 0.00 0.00 0.00 0.00 175.30 175.33 1opy s ALA 76 N 1.32 1.13 0.23 2.13 0.00 -1.26 -0.47 121.76 124.84 1opy s ALA 76 Ca 0.22 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1opy s ALA 76 Cb -0.15 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1opy s ALA 76 CO 0.09 0.21 0.25 -1.13 0.00 0.00 0.00 175.76 175.18 1opy n SER 77 N 1.92 1.23 -0.76 0.00 3.41 -0.74 -4.95 113.62 113.73 1opy n SER 77 Ca -0.18 -1.68 0.12 0.00 -0.26 0.00 0.00 58.87 56.87 1opy n SER 77 Cb 0.55 -0.10 0.15 0.00 -0.26 0.00 0.00 64.21 64.55 1opy n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1opy n HIS 78 N -1.29 0.00 -1.45 7.33 8.25 -1.26 -3.95 115.22 122.85 1opy n HIS 78 Ca 0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 1opy n HIS 78 Cb 0.25 -0.01 0.16 0.00 1.12 0.00 0.00 29.99 31.51 1opy n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1opy n ASN 79 N 0.79 3.85 -0.47 0.41 2.04 -1.26 -4.88 115.26 115.75 1opy n ASN 79 Ca 0.14 -3.75 -0.05 0.00 -0.44 0.00 0.00 54.58 50.48 1opy n ASN 79 Cb 0.52 -0.71 -0.02 0.00 -2.53 0.00 0.00 39.78 37.05 1opy n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1opy n GLY 80 N -1.06 0.63 3.46 4.83 0.00 -1.26 -4.88 105.19 106.91 1opy n GLY 80 Ca 0.46 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1opy n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1opy s GLY 82 N -2.55 -0.22 -0.03 0.00 0.00 -0.37 -1.79 107.32 102.35 1opy s GLY 82 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 44.72 44.82 1opy s GLY 82 CO 0.11 -0.32 0.10 0.00 0.00 0.00 0.00 173.10 172.98 1opy s ALA 83 N -3.60 -0.24 -0.06 3.20 0.00 0.39 -1.29 121.76 120.17 1opy s ALA 83 Ca 0.02 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 1opy s ALA 83 Cb 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1opy s ALA 83 CO -0.10 -0.06 0.24 0.00 0.00 0.00 0.00 175.76 175.84 1opy s MET 84 N -0.04 0.43 -0.10 0.00 0.23 -0.69 -0.45 119.30 118.68 1opy s MET 84 Ca -0.01 0.06 -0.12 0.00 -1.03 0.00 0.00 55.69 54.60 1opy s MET 84 Cb -0.01 0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 1opy s MET 84 CO 0.00 -0.09 0.26 -1.25 -2.03 0.00 0.00 175.02 171.92 1opy s PRO 85 N -0.54 3.88 0.21 3.16 0.04 -1.26 -2.19 135.00 138.30 1opy s PRO 85 Ca -0.06 0.09 -0.16 0.00 0.04 0.00 0.00 61.00 60.91 1opy s PRO 85 Cb -0.04 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1opy s PRO 85 CO 0.02 0.56 0.50 -0.59 0.04 0.00 0.00 177.00 177.52 1opy s PHE 86 N -0.49 0.06 0.03 0.56 -0.71 -0.36 -1.36 117.98 115.71 1opy s PHE 86 Ca 0.17 -0.42 0.07 0.00 -1.04 0.00 0.00 56.93 55.71 1opy s PHE 86 Cb -0.14 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1opy s PHE 86 CO 0.06 -0.94 -0.21 0.50 -1.34 0.00 0.00 175.22 173.30 1opy s ARG 87 N -3.92 1.45 -0.09 1.99 3.52 -0.60 -1.13 118.95 120.17 1opy s ARG 87 Ca 0.14 -0.90 0.04 0.00 -0.13 0.00 0.00 55.73 54.88 1opy s ARG 87 Cb -0.01 -1.53 -0.00 0.00 -1.56 0.00 0.00 34.95 31.85 1opy s ARG 87 CO 0.01 0.40 -0.24 0.08 -0.81 0.00 0.00 175.30 174.74 1opy s VAL 88 N -0.73 2.02 -0.13 7.11 1.01 -0.19 -1.88 120.40 127.60 1opy s VAL 88 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1opy s VAL 88 Cb -0.09 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1opy s VAL 88 CO 0.01 0.55 -0.14 -1.61 0.00 0.00 0.00 175.10 173.92 1opy s GLU 89 N 0.24 3.35 0.13 2.72 2.02 0.30 -0.81 118.70 126.66 1opy s GLU 89 Ca -0.15 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.16 1opy s GLU 89 Cb -0.17 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 1opy s GLU 89 CO 0.08 0.19 0.13 0.00 0.02 0.00 0.00 175.26 175.67 1opy n MET 90 N 3.59 0.19 -3.76 1.61 0.00 -0.09 -1.90 117.12 116.76 1opy n MET 90 Ca -0.18 -1.27 -0.30 0.00 0.00 0.00 0.00 57.70 55.95 1opy n MET 90 Cb 0.53 1.08 -0.15 0.00 0.00 0.00 0.00 33.22 34.67 1opy n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1opy s VAL 91 N -2.54 0.94 -0.65 3.17 1.01 -1.26 -0.28 120.40 120.78 1opy s VAL 91 Ca 0.15 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 1opy s VAL 91 Cb 0.01 -1.64 0.06 0.00 0.00 0.00 0.00 36.38 34.80 1opy s VAL 91 CO 0.11 -0.58 1.01 0.86 0.00 0.00 0.00 175.10 176.49 1opy s TRP 92 N 1.60 2.64 -0.83 5.22 -0.00 0.43 -4.45 118.94 123.55 1opy s TRP 92 Ca 0.07 -0.36 -0.03 0.00 -0.00 0.00 0.00 56.10 55.78 1opy s TRP 92 Cb -0.17 -4.29 -0.00 0.00 -0.00 0.00 0.00 33.47 29.00 1opy s TRP 92 CO -0.21 -1.65 0.69 0.09 -0.00 0.00 0.00 176.95 175.86 1opy n ASN 93 N 7.90 -6.39 0.00 5.86 5.03 -1.26 -2.34 115.26 124.06 1opy n ASN 93 Ca -0.02 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.90 1opy n ASN 93 Cb 0.46 -3.76 0.00 0.00 -1.02 0.00 0.00 39.78 35.47 1opy n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1opy n GLY 94 N -1.70 1.09 3.67 7.41 0.00 -1.26 -4.94 105.19 109.46 1opy n GLY 94 Ca -0.13 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1opy n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1opy s GLN 95 N 0.00 4.28 0.03 1.61 0.74 -0.99 -5.01 119.66 120.32 1opy s GLN 95 Ca 0.00 0.80 -0.30 0.00 0.05 0.00 0.00 55.36 55.90 1opy s GLN 95 Cb 0.00 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 1opy s GLN 95 CO 0.00 -0.21 1.03 -1.25 -0.55 0.00 0.00 175.29 174.32 1opy s PRO 96 N 1.76 4.54 0.27 1.67 0.04 -1.26 0.16 135.00 142.18 1opy s PRO 96 Ca 0.33 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1opy s PRO 96 Cb -0.16 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 1opy s PRO 96 CO 0.12 -0.08 0.02 0.00 0.04 0.00 0.00 177.00 177.11 1opy s ALA 98 N -3.38 1.08 -0.05 0.00 0.00 0.21 -0.91 121.76 118.71 1opy s ALA 98 Ca 0.32 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1opy s ALA 98 Cb 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1opy s ALA 98 CO 0.12 0.07 0.01 -1.17 0.00 0.00 0.00 175.76 174.78 1opy s LEU 99 N -1.97 0.83 -0.20 0.00 2.96 0.01 -0.85 118.68 119.44 1opy s LEU 99 Ca -0.00 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.71 1opy s LEU 99 Cb -0.08 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 1opy s LEU 99 CO 0.01 -0.15 0.38 -1.81 -1.32 0.00 0.00 176.35 173.46 1opy s ASP 100 N 1.50 6.41 0.08 3.68 1.01 -0.70 -1.03 116.67 127.63 1opy s ASP 100 Ca -0.03 0.48 0.03 0.00 0.71 0.00 0.00 52.55 53.75 1opy s ASP 100 Cb -0.13 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1opy s ASP 100 CO -0.03 -0.07 -0.09 -0.69 0.21 0.00 0.00 175.17 174.50 1opy s VAL 101 N 1.30 0.83 -0.11 -1.27 1.01 -0.28 -4.74 120.40 117.14 1opy s VAL 101 Ca 0.18 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1opy s VAL 101 Cb -0.15 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1opy s VAL 101 CO 0.08 -0.56 -0.10 -0.63 0.00 0.00 0.00 175.10 173.90 1opy s ILE 102 N -2.35 1.14 -0.12 2.22 1.01 -0.92 -1.22 121.20 120.96 1opy s ILE 102 Ca 0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 1opy s ILE 102 Cb -0.03 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1opy s ILE 102 CO -0.01 0.38 0.10 -1.81 0.00 0.00 0.00 174.94 173.61 1opy s ASP 103 N 1.51 6.03 -0.13 3.58 1.11 -0.93 -0.12 116.67 127.72 1opy s ASP 103 Ca 0.02 0.35 0.03 0.00 0.18 0.00 0.00 52.55 53.13 1opy s ASP 103 Cb -0.13 -1.91 0.00 0.00 1.07 0.00 0.00 42.92 41.96 1opy s ASP 103 CO -0.07 0.38 -0.21 -0.69 1.18 0.00 0.00 175.17 175.76 1opy s VAL 104 N -0.84 2.20 0.05 -1.27 1.01 0.24 -1.71 120.40 120.08 1opy s VAL 104 Ca 0.13 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1opy s VAL 104 Cb -0.12 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1opy s VAL 104 CO 0.03 0.55 -0.14 -0.04 0.00 0.00 0.00 175.10 175.49 1opy s MET 105 N 0.62 0.93 -0.10 2.72 -1.94 -0.41 -1.00 119.30 120.13 1opy s MET 105 Ca -0.11 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1opy s MET 105 Cb -0.16 -0.94 0.00 0.00 2.01 0.00 0.00 34.83 35.74 1opy s MET 105 CO 0.03 0.23 -0.21 0.50 -0.01 0.00 0.00 175.02 175.55 1opy s ARG 106 N -1.26 2.77 0.16 2.03 3.52 -0.48 -1.24 118.95 124.45 1opy s ARG 106 Ca 0.01 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.86 1opy s ARG 106 Cb -0.08 -2.14 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 1opy s ARG 106 CO 0.01 0.11 0.29 -0.06 -0.81 0.00 0.00 175.30 174.84 1opy s PHE 107 N 0.51 3.47 0.62 5.12 0.40 0.72 -0.09 117.98 128.73 1opy s PHE 107 Ca -0.16 0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1opy s PHE 107 Cb -0.17 -1.65 0.11 0.00 0.51 0.00 0.00 43.02 41.82 1opy s PHE 107 CO 0.06 0.51 0.85 -0.40 0.70 0.00 0.00 175.22 176.94 1opy n ASP 108 N -0.65 1.82 0.00 1.36 5.68 0.57 -4.77 116.55 120.56 1opy n ASP 108 Ca -0.07 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 51.84 1opy n ASP 108 Cb 0.54 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1opy n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1opy n GLU 109 N -2.43 0.00 0.00 0.11 0.00 -1.26 -0.51 120.64 116.55 1opy n GLU 109 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 57.16 57.34 1opy n GLU 109 Cb 0.58 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.53 1opy n GLU 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1opy n HIS 110 N -1.00 0.00 -0.85 -1.84 8.25 -1.25 -2.51 115.22 116.02 1opy n HIS 110 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1opy n HIS 110 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1opy n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1opy n GLY 111 N 0.12 0.48 3.74 -1.41 0.00 0.33 -4.38 105.19 104.07 1opy n GLY 111 Ca 0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1opy n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1opy s ARG 112 N -1.64 2.75 -0.22 1.61 0.52 -1.26 -4.85 118.95 115.86 1opy s ARG 112 Ca 0.00 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.13 1opy s ARG 112 Cb 0.00 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 1opy s ARG 112 CO 0.00 0.54 1.58 0.42 0.02 0.00 0.00 175.30 177.85 1opy s ILE 113 N -1.44 3.75 -0.06 1.52 1.01 -0.28 -0.32 121.20 125.38 1opy s ILE 113 Ca 0.28 0.85 -0.04 0.00 0.00 0.00 0.00 60.65 61.74 1opy s ILE 113 Cb -0.12 -3.75 -0.27 0.00 0.01 0.00 0.00 42.46 38.34 1opy s ILE 113 CO 0.21 -0.30 0.60 -0.61 0.00 0.00 0.00 174.94 174.84 1opy h GLN 114 N 10.46 0.26 -2.98 2.79 4.15 -0.80 -1.19 115.11 127.80 1opy h GLN 114 Ca -0.33 -0.44 -0.14 0.00 0.77 0.00 0.00 58.65 58.51 1opy h GLN 114 Cb 1.15 0.17 -0.24 0.00 0.21 0.00 0.00 27.48 28.76 1opy h GLN 114 CO 1.00 1.12 -0.33 -0.08 -1.93 0.00 0.00 178.83 178.61 1opy s THR 115 N -2.58 0.01 -0.02 2.39 -1.32 -1.08 -2.74 115.64 110.30 1opy s THR 115 Ca -0.15 -0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.25 1opy s THR 115 Cb 0.07 -0.48 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1opy s THR 115 CO 0.82 -0.05 -0.03 -0.32 -2.21 0.00 0.00 174.62 172.82 1opy s MET 116 N -0.10 0.50 -0.05 7.08 1.75 -0.90 -1.38 119.30 126.20 1opy s MET 116 Ca -0.02 -0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.36 1opy s MET 116 Cb -0.03 -0.54 0.01 0.00 2.84 0.00 0.00 34.83 37.11 1opy s MET 116 CO 0.01 -0.02 -0.11 -0.65 -0.65 0.00 0.00 175.02 173.60 1opy s GLN 117 N 0.52 1.40 -0.17 4.11 -0.21 -0.17 -1.03 119.66 124.11 1opy s GLN 117 Ca -0.06 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 54.93 1opy s GLN 117 Cb -0.09 -1.21 -0.01 0.00 1.00 0.00 0.00 33.01 32.69 1opy s GLN 117 CO -0.00 0.07 -0.09 0.00 -2.12 0.00 0.00 175.29 173.15 1opy s ALA 118 N 0.47 2.71 -0.29 6.09 0.00 -0.18 -0.59 121.76 129.97 1opy s ALA 118 Ca -0.09 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1opy s ALA 118 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1opy s ALA 118 CO 0.02 -0.09 0.18 0.71 0.00 0.00 0.00 175.76 176.59 1opy s TYR 119 N 0.90 3.20 0.00 0.00 1.51 0.83 -0.07 117.35 123.72 1opy s TYR 119 Ca -0.02 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1opy s TYR 119 Cb -0.15 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.32 1opy s TYR 119 CO 0.00 -0.24 0.00 -2.67 -1.11 0.00 0.00 175.55 171.53 1opy n TRP 120 N 5.05 0.00 -3.20 2.71 4.27 -1.26 -2.16 117.44 122.84 1opy n TRP 120 Ca -0.14 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.47 1opy n TRP 120 Cb 0.51 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 1opy n TRP 120 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1opy n SER 121 N 0.00 -0.08 0.32 -0.67 3.41 -1.26 -4.74 113.62 110.60 1opy n SER 121 Ca 0.00 -1.07 0.19 0.00 -0.26 0.00 0.00 58.87 57.73 1opy n SER 121 Cb 0.00 0.13 1.06 0.00 -0.26 0.00 0.00 64.21 65.15 1opy n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1opy h GLU 122 N 0.00 0.00 0.00 4.33 3.07 -2.00 -1.07 114.58 118.91 1opy h GLU 122 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1opy h GLU 122 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1opy h GLU 122 CO 0.02 0.00 0.00 -0.39 -1.40 0.00 0.00 179.01 177.24 1opy h VAL 123 N 0.00 0.00 -0.52 3.13 -1.51 -2.00 -2.42 116.25 112.93 1opy h VAL 123 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1opy h VAL 123 Cb 0.02 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1opy h VAL 123 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1opy n ASN 124 N -2.33 3.43 -4.83 4.19 4.13 -0.41 -4.96 115.26 114.49 1opy n ASN 124 Ca 0.01 -1.98 -0.36 0.00 1.68 0.00 0.00 54.58 53.94 1opy n ASN 124 Cb 0.20 -0.34 -0.07 0.00 -1.54 0.00 0.00 39.78 38.03 1opy n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1opy s LEU 125 N -1.06 4.18 -0.26 3.41 0.20 -0.91 -1.72 118.68 122.52 1opy s LEU 125 Ca 0.37 0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.54 1opy s LEU 125 Cb 0.20 -2.09 0.08 0.00 -0.43 0.00 0.00 46.19 43.95 1opy s LEU 125 CO 0.26 0.38 0.04 -0.44 -0.29 0.00 0.00 176.35 176.30 1opy s SER 126 N -1.15 3.75 0.00 3.68 0.01 -0.03 -4.99 113.70 114.97 1opy s SER 126 Ca 0.17 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1opy s SER 126 Cb -0.12 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.18 1opy s SER 126 CO 0.06 -0.34 0.49 0.55 0.41 0.00 0.00 173.24 174.41