#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7h s LEU 3 N 0.00 4.33 0.52 1.20 2.96 -1.25 -3.41 118.68 123.02 1c7h s LEU 3 Ca 0.00 2.25 -0.21 0.00 -0.22 0.00 0.00 54.13 55.95 1c7h s LEU 3 Cb 0.00 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 1c7h s LEU 3 CO 0.00 -0.92 0.86 -2.65 -1.32 0.00 0.00 176.35 172.32 1c7h n PRO 4 N 7.07 0.96 -2.27 0.98 -0.02 -1.26 -4.97 135.00 135.50 1c7h n PRO 4 Ca 0.17 0.36 -0.28 0.00 -2.02 0.00 0.00 63.50 61.73 1c7h n PRO 4 Cb 0.43 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1c7h n PRO 4 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1c7h s THR 5 N -1.47 4.10 0.29 3.45 -4.23 -1.26 -4.31 115.64 112.21 1c7h s THR 5 Ca 0.69 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 1c7h s THR 5 Cb -0.48 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.01 1c7h s THR 5 CO 0.53 -0.71 1.70 0.00 -0.54 0.00 0.00 174.62 175.61 1c7h h ALA 6 N -0.20 1.44 -0.24 3.99 0.00 -1.90 0.11 119.26 122.47 1c7h h ALA 6 Ca -0.45 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1c7h h ALA 6 Cb 1.23 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1c7h h ALA 6 CO 0.62 -0.32 -0.13 1.96 0.00 0.00 0.00 179.25 181.37 1c7h h GLN 7 N 0.42 0.40 0.08 0.00 4.20 -1.91 -2.67 115.11 115.63 1c7h h GLN 7 Ca 0.56 -0.11 -0.26 0.00 0.06 0.00 0.00 58.65 58.90 1c7h h GLN 7 Cb 1.04 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.78 1c7h h GLN 7 CO -0.51 0.54 -1.13 0.93 -0.67 0.00 0.00 178.83 177.98 1c7h h GLU 8 N 0.37 0.35 -0.82 1.46 5.08 -1.20 -2.96 114.58 116.86 1c7h h GLU 8 Ca 0.07 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1c7h h GLU 8 Cb 0.46 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1c7h h GLU 8 CO 0.03 1.18 0.50 0.28 -1.00 0.00 0.00 179.01 180.00 1c7h h VAL 9 N 0.14 1.23 -0.71 3.13 2.07 -1.00 0.75 116.25 121.86 1c7h h VAL 9 Ca -0.12 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1c7h h VAL 9 Cb 1.81 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1c7h h VAL 9 CO 0.19 0.24 0.36 1.56 0.02 0.00 0.00 177.57 179.94 1c7h h GLN 10 N 1.13 1.02 -0.53 1.57 4.20 -1.46 -1.60 115.11 119.43 1c7h h GLN 10 Ca 0.30 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 1c7h h GLN 10 Cb -0.05 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1c7h h GLN 10 CO -0.06 0.79 -0.11 0.78 -0.67 0.00 0.00 178.83 179.57 1c7h h GLY 11 N 0.99 1.08 1.06 3.46 0.00 -1.18 -1.80 103.07 106.68 1c7h h GLY 11 Ca 0.25 -0.86 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1c7h h GLY 11 CO -0.03 0.79 -0.01 1.41 0.00 0.00 0.00 176.54 178.69 1c7h h LEU 12 N 0.89 0.98 -0.56 3.11 3.38 -0.57 -0.64 115.31 121.91 1c7h h LEU 12 Ca 0.14 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 1c7h h LEU 12 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1c7h h LEU 12 CO 0.05 1.06 -0.50 0.24 0.09 0.00 0.00 178.44 179.37 1c7h h MET 13 N 0.88 0.57 -0.38 1.13 2.86 -1.27 -0.37 114.93 118.36 1c7h h MET 13 Ca 0.16 -0.34 -0.11 0.00 -2.06 0.00 0.00 59.70 57.35 1c7h h MET 13 Cb 0.56 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1c7h h MET 13 CO 0.03 0.94 -0.22 0.00 1.06 0.00 0.00 176.91 178.72 1c7h h ALA 14 N 1.00 0.90 -0.64 6.32 0.00 -1.16 -2.45 119.26 123.22 1c7h h ALA 14 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1c7h h ALA 14 Cb 1.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1c7h h ALA 14 CO 0.10 0.62 0.37 -0.09 0.00 0.00 0.00 179.25 180.25 1c7h h ARG 15 N 0.66 0.88 -0.86 0.00 2.43 -0.76 -2.65 114.38 114.08 1c7h h ARG 15 Ca 0.09 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1c7h h ARG 15 Cb 0.72 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 1c7h h ARG 15 CO 0.06 0.64 0.56 -0.92 -1.51 0.00 0.00 179.97 178.80 1c7h h TYR 16 N 0.87 1.01 0.00 2.20 5.03 -0.60 0.10 116.97 125.59 1c7h h TYR 16 Ca 0.23 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.50 1c7h h TYR 16 Cb 0.00 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 37.94 1c7h h TYR 16 CO -0.01 0.56 -0.31 0.82 -1.32 0.00 0.00 178.16 177.90 1c7h h ILE 17 N 1.02 0.78 0.25 1.81 1.08 -1.27 -2.21 117.51 118.97 1c7h h ILE 17 Ca 0.35 -1.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 1c7h h ILE 17 Cb 0.10 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1c7h h ILE 17 CO -0.12 0.30 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.45 1c7h h GLU 18 N 0.00 -0.32 -0.43 2.37 4.57 -0.69 -2.20 114.58 117.87 1c7h h GLU 18 Ca -0.00 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1c7h h GLU 18 Cb 0.79 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.40 1c7h h GLU 18 CO 0.04 0.00 0.09 -0.07 -1.18 0.00 0.00 179.01 177.90 1c7h h LEU 19 N -0.69 0.02 -1.55 1.64 3.38 -1.09 -2.10 115.31 114.94 1c7h h LEU 19 Ca -0.03 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1c7h h LEU 19 Cb 0.48 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1c7h h LEU 19 CO 0.06 0.05 -0.03 0.58 0.09 0.00 0.00 178.44 179.18 1c7h h VAL 20 N 0.23 1.13 -0.44 1.22 2.07 -1.40 0.23 116.25 119.29 1c7h h VAL 20 Ca 0.21 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1c7h h VAL 20 Cb 0.26 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1c7h h VAL 20 CO -0.27 0.17 -0.08 -0.78 0.02 0.00 0.00 177.57 176.64 1c7h h ASP 21 N 0.25 0.83 1.47 0.57 3.58 -0.73 -2.94 116.42 119.44 1c7h h ASP 21 Ca 0.06 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1c7h h ASP 21 Cb 0.22 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1c7h h ASP 21 CO 0.01 0.98 -0.34 -0.37 -2.88 0.00 0.00 179.24 176.64 1c7h h VAL 22 N 0.66 0.00 -0.42 2.25 -1.51 -1.03 -3.42 116.25 112.77 1c7h h VAL 22 Ca 0.12 -0.81 -0.08 0.00 -1.23 0.00 0.00 66.70 64.70 1c7h h VAL 22 Cb 0.60 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 1c7h h VAL 22 CO 0.04 0.00 -0.09 0.61 -1.23 0.00 0.00 177.57 176.90 1c7h n GLY 23 N 1.20 0.36 3.54 5.19 0.00 0.77 -4.94 105.19 111.30 1c7h n GLY 23 Ca 0.03 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1c7h n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c7h s ASP 24 N -2.87 6.73 0.37 1.61 -1.08 -1.07 -4.83 116.67 115.54 1c7h s ASP 24 Ca 0.00 -2.14 0.07 0.00 -0.52 0.00 0.00 52.55 49.96 1c7h s ASP 24 Cb 0.00 -2.52 0.80 0.00 -1.46 0.00 0.00 42.92 39.74 1c7h s ASP 24 CO 0.00 -1.20 1.95 0.40 0.52 0.00 0.00 175.17 176.84 1c7h h ILE 25 N 5.88 0.98 -0.33 4.11 2.04 -1.92 -2.75 117.51 125.52 1c7h h ILE 25 Ca 0.30 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 1c7h h ILE 25 Cb 0.94 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1c7h h ILE 25 CO 1.36 0.13 -0.15 -0.33 0.00 0.00 0.00 178.15 179.15 1c7h h GLU 26 N 0.69 0.68 -0.08 2.37 5.08 -1.99 -1.97 114.58 119.35 1c7h h GLU 26 Ca 0.32 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1c7h h GLU 26 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1c7h h GLU 26 CO -0.11 0.89 -0.26 0.00 -1.00 0.00 0.00 179.01 178.53 1c7h h ALA 27 N 0.77 1.41 0.20 3.43 0.00 -1.91 -2.08 119.26 121.07 1c7h h ALA 27 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1c7h h ALA 27 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1c7h h ALA 27 CO 0.05 0.42 -0.10 0.82 0.00 0.00 0.00 179.25 180.44 1c7h h ILE 28 N 0.13 0.86 -0.58 0.00 2.04 -1.37 -2.80 117.51 115.80 1c7h h ILE 28 Ca 0.02 -0.88 0.11 0.00 1.00 0.00 0.00 64.86 65.11 1c7h h ILE 28 Cb 0.54 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1c7h h ILE 28 CO 0.04 0.18 0.39 0.58 0.00 0.00 0.00 178.15 179.34 1c7h h VAL 29 N -0.75 0.85 0.00 1.67 2.07 -1.25 0.37 116.25 119.22 1c7h h VAL 29 Ca -0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1c7h h VAL 29 Cb 0.50 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1c7h h VAL 29 CO 0.04 0.06 0.00 1.67 0.02 0.00 0.00 177.57 179.36 1c7h n GLN 30 N -4.46 0.08 0.18 1.57 -0.06 -0.79 -2.29 117.38 111.61 1c7h n GLN 30 Ca 0.10 0.15 0.13 0.00 -2.00 0.00 0.00 57.00 55.38 1c7h n GLN 30 Cb 0.43 -1.61 0.29 0.00 -4.06 0.00 0.00 30.24 25.28 1c7h n GLN 30 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 1c7h h MET 31 N 0.00 0.00 -7.05 3.69 2.86 0.01 -3.46 114.93 110.98 1c7h h MET 31 Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 1c7h h MET 31 Cb 0.48 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.19 1c7h h MET 31 CO 0.00 0.00 0.13 0.71 1.06 0.00 0.00 176.91 178.81 1c7h s TYR 32 N -3.19 3.26 0.49 -0.22 2.02 -0.97 -1.55 117.35 117.18 1c7h s TYR 32 Ca 0.08 0.59 -0.14 0.00 -0.37 0.00 0.00 57.07 57.24 1c7h s TYR 32 Cb 0.08 -2.66 -0.07 0.00 -0.40 0.00 0.00 41.96 38.91 1c7h s TYR 32 CO 0.63 -0.74 0.91 0.00 -1.57 0.00 0.00 175.55 174.79 1c7h s ALA 33 N -2.92 3.17 0.48 3.71 0.00 -1.07 -4.67 121.76 120.46 1c7h s ALA 33 Ca 0.53 0.00 0.21 0.00 0.00 0.00 0.00 51.96 52.70 1c7h s ALA 33 Cb -0.10 -2.96 1.23 0.00 0.00 0.00 0.00 23.12 21.29 1c7h s ALA 33 CO 0.44 -0.21 1.95 0.38 0.00 0.00 0.00 175.76 178.31 1c7h h ASP 34 N 0.88 0.20 -0.03 0.00 3.04 -1.93 -2.41 116.42 116.17 1c7h h ASP 34 Ca -0.47 0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 53.31 1c7h h ASP 34 Cb 1.19 -0.03 -0.04 0.00 -1.04 0.00 0.00 39.33 39.41 1c7h h ASP 34 CO 0.62 0.10 -0.54 -0.90 -2.04 0.00 0.00 179.24 176.48 1c7h n ASP 35 N -4.42 1.79 -3.74 4.15 5.75 -1.26 -1.97 116.55 116.85 1c7h n ASP 35 Ca 0.13 -3.80 -0.30 0.00 -0.01 0.00 0.00 54.79 50.81 1c7h n ASP 35 Cb 0.61 -0.51 0.29 0.00 -1.03 0.00 0.00 41.12 40.47 1c7h n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c7h s ALA 36 N -3.08 -0.90 0.04 2.12 0.00 -0.91 -4.36 121.76 114.67 1c7h s ALA 36 Ca 0.38 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1c7h s ALA 36 Cb 0.37 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1c7h s ALA 36 CO -0.07 -4.53 -0.08 0.95 0.00 0.00 0.00 175.76 172.03 1c7h s THR 37 N -2.24 0.54 0.02 0.00 -4.23 -1.01 -1.43 115.64 107.30 1c7h s THR 37 Ca 0.68 -1.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.24 1c7h s THR 37 Cb -0.18 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1c7h s THR 37 CO 0.61 -0.34 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.45 1c7h s VAL 38 N -1.29 1.65 -0.36 2.29 1.01 0.70 -2.26 120.40 122.14 1c7h s VAL 38 Ca -0.09 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.80 1c7h s VAL 38 Cb -0.09 -1.42 0.11 0.00 0.00 0.00 0.00 36.38 34.98 1c7h s VAL 38 CO 0.00 0.29 0.15 -1.61 0.00 0.00 0.00 175.10 173.93 1c7h s GLU 39 N -0.95 0.98 -0.17 2.72 2.02 -0.52 -0.92 118.70 121.86 1c7h s GLU 39 Ca 0.08 -1.49 -0.04 0.00 0.02 0.00 0.00 54.97 53.54 1c7h s GLU 39 Cb -0.08 -2.20 0.08 0.00 0.10 0.00 0.00 34.13 32.02 1c7h s GLU 39 CO 0.01 -1.05 0.23 0.34 0.02 0.00 0.00 175.26 174.81 1c7h s ASP 40 N 1.09 0.99 0.59 -0.19 -1.08 -1.26 -0.35 116.67 116.46 1c7h s ASP 40 Ca 0.13 0.06 -0.13 0.00 -0.52 0.00 0.00 52.55 52.09 1c7h s ASP 40 Cb -0.20 0.49 -0.05 0.00 -1.46 0.00 0.00 42.92 41.70 1c7h s ASP 40 CO -0.14 -0.30 1.02 -2.16 0.52 0.00 0.00 175.17 174.11 1c7h s PRO 41 N 2.36 3.68 0.22 4.34 0.04 -1.26 -4.95 135.00 139.43 1c7h s PRO 41 Ca 0.05 0.83 -0.32 0.00 0.04 0.00 0.00 61.00 61.60 1c7h s PRO 41 Cb -0.14 -2.09 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 1c7h s PRO 41 CO -0.11 -0.50 1.61 0.34 0.04 0.00 0.00 177.00 178.39 1c7h n PHE 42 N -2.39 2.57 0.00 0.56 7.35 0.20 -2.19 117.46 123.56 1c7h n PHE 42 Ca 0.06 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1c7h n PHE 42 Cb 0.54 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.78 1c7h n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1c7h n GLY 43 N 3.17 1.35 3.84 7.13 0.00 -1.26 -4.90 105.19 114.53 1c7h n GLY 43 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1c7h n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1c7h s GLN 44 N -0.17 2.97 0.55 1.61 2.00 -0.93 -5.07 119.66 120.62 1c7h s GLN 44 Ca 0.00 -1.03 -0.22 0.00 -2.00 0.00 0.00 55.36 52.11 1c7h s GLN 44 Cb 0.00 -2.59 -0.05 0.00 0.80 0.00 0.00 33.01 31.17 1c7h s GLN 44 CO 0.00 0.39 1.32 -0.35 -0.50 0.00 0.00 175.29 176.15 1c7h n PRO 45 N -1.21 1.62 -2.32 1.67 -0.04 -1.26 -4.80 135.00 128.65 1c7h n PRO 45 Ca -0.08 0.60 -0.33 0.00 -0.04 0.00 0.00 63.50 63.65 1c7h n PRO 45 Cb 0.58 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 1c7h n PRO 45 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1c7h s PRO 46 N -2.86 3.67 -0.13 0.54 0.04 -1.26 -4.79 135.00 130.21 1c7h s PRO 46 Ca 0.72 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 1c7h s PRO 46 Cb -0.42 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1c7h s PRO 46 CO 0.49 -0.52 0.00 0.96 0.04 0.00 0.00 177.00 177.97 1c7h s ILE 47 N -2.34 4.29 -0.11 0.56 -4.36 -0.10 -4.86 121.20 114.28 1c7h s ILE 47 Ca 0.63 -0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.81 1c7h s ILE 47 Cb -0.14 -2.86 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 1c7h s ILE 47 CO 0.29 0.54 -0.19 -2.28 0.24 0.00 0.00 174.94 173.54 1c7h s HIS 48 N -0.22 2.67 0.00 1.37 2.46 -1.26 -0.22 115.29 120.09 1c7h s HIS 48 Ca 0.06 -0.86 0.00 0.00 0.47 0.00 0.00 55.06 54.73 1c7h s HIS 48 Cb -0.12 -1.77 0.00 0.00 -0.13 0.00 0.00 32.58 30.56 1c7h s HIS 48 CO 0.02 -0.32 0.00 0.41 -2.47 0.00 0.00 174.74 172.38 1c7h n GLY 49 N 3.51 2.34 0.34 1.59 0.00 -0.51 -4.41 105.19 108.05 1c7h n GLY 49 Ca -0.19 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 1c7h n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c7h h ARG 50 N 0.00 1.13 0.28 1.61 3.08 -1.62 -1.07 114.38 117.79 1c7h h ARG 50 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1c7h h ARG 50 Cb 0.00 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 1c7h h ARG 50 CO 0.00 0.89 -0.49 1.49 -1.07 0.00 0.00 179.97 180.78 1c7h h GLU 51 N 1.12 -0.81 -0.92 0.04 4.81 -1.87 0.29 114.58 117.24 1c7h h GLU 51 Ca 0.27 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1c7h h GLU 51 Cb 0.14 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1c7h h GLU 51 CO -0.03 -0.54 0.58 1.96 -0.73 0.00 0.00 179.01 180.26 1c7h h GLN 52 N -0.84 1.24 -0.35 1.92 4.20 -1.73 -2.12 115.11 117.43 1c7h h GLN 52 Ca -0.02 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1c7h h GLN 52 Cb 0.79 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1c7h h GLN 52 CO -0.18 0.84 -0.22 0.82 -0.67 0.00 0.00 178.83 179.42 1c7h h ILE 53 N 1.26 1.27 -0.56 2.54 2.04 -0.92 0.24 117.51 123.39 1c7h h ILE 53 Ca 0.34 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1c7h h ILE 53 Cb -0.10 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1c7h h ILE 53 CO -0.07 0.43 0.30 0.00 0.00 0.00 0.00 178.15 178.81 1c7h h ALA 54 N 1.16 0.71 0.18 1.87 0.00 0.01 0.22 119.26 123.41 1c7h h ALA 54 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c7h h ALA 54 Cb 0.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1c7h h ALA 54 CO 0.05 0.24 -0.14 0.00 0.00 0.00 0.00 179.25 179.41 1c7h h ALA 55 N 1.13 -0.30 -0.99 0.00 0.00 -0.80 0.34 119.26 118.63 1c7h h ALA 55 Ca 0.19 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.24 1c7h h ALA 55 Cb 0.06 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 1c7h h ALA 55 CO -0.03 -0.68 0.59 0.35 0.00 0.00 0.00 179.25 179.48 1c7h h PHE 56 N -0.32 1.03 0.00 0.00 3.57 -0.09 -1.85 116.94 119.29 1c7h h PHE 56 Ca -0.01 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 1c7h h PHE 56 Cb 0.29 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1c7h h PHE 56 CO -0.11 0.22 -0.87 1.88 -2.23 0.00 0.00 178.31 177.20 1c7h h TYR 57 N 0.74 0.00 -0.43 0.41 0.05 -0.26 -3.22 116.97 114.26 1c7h h TYR 57 Ca 0.57 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.27 1c7h h TYR 57 Cb 0.88 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1c7h h TYR 57 CO -0.02 0.76 -0.04 -0.09 -1.05 0.00 0.00 178.16 177.73 1c7h h ARG 58 N 0.00 0.78 -0.91 4.88 2.43 -0.17 -3.02 114.38 118.37 1c7h h ARG 58 Ca -0.04 -0.27 0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1c7h h ARG 58 Cb 1.61 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.04 1c7h h ARG 58 CO 0.09 0.87 0.59 0.37 -1.51 0.00 0.00 179.97 180.38 1c7h h GLN 59 N 0.61 0.96 0.00 0.20 5.75 -1.45 -3.19 115.11 117.99 1c7h h GLN 59 Ca 0.12 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1c7h h GLN 59 Cb 0.54 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1c7h h GLN 59 CO 0.03 0.63 -0.73 0.78 -2.65 0.00 0.00 178.83 176.90 1c7h h GLY 60 N 0.99 0.00 -5.18 2.39 0.00 -1.54 -3.52 103.07 96.21 1c7h h GLY 60 Ca 0.41 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 47.06 1c7h h GLY 60 CO -0.16 0.00 -0.80 1.08 0.00 0.00 0.00 176.54 176.65 1c7h s LEU 61 N -6.05 2.52 -0.64 3.11 1.02 -1.15 -4.86 118.68 112.62 1c7h s LEU 61 Ca 0.02 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 53.85 1c7h s LEU 61 Cb 0.08 -1.52 0.38 0.00 0.02 0.00 0.00 46.19 45.15 1c7h s LEU 61 CO 0.76 0.25 1.41 1.17 0.02 0.00 0.00 176.35 179.95 1c7h n LYS 65 N 2.95 3.44 -4.44 1.70 0.00 -1.26 -5.03 118.16 115.51 1c7h n LYS 65 Ca -0.18 -4.32 -0.25 0.00 0.00 0.00 0.00 58.31 53.56 1c7h n LYS 65 Cb 0.52 -2.28 -0.10 0.00 0.00 0.00 0.00 35.03 33.17 1c7h n LYS 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1c7h s VAL 66 N -5.10 2.50 -0.00 3.15 1.01 -1.26 -4.70 120.40 116.00 1c7h s VAL 66 Ca 0.48 -2.23 0.02 0.00 0.00 0.00 0.00 61.98 60.25 1c7h s VAL 66 Cb 0.37 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1c7h s VAL 66 CO -0.24 -0.29 -0.06 0.00 0.00 0.00 0.00 175.10 174.51 1c7h s ARG 67 N -3.19 0.51 0.00 2.72 1.70 -1.22 -4.74 118.95 114.73 1c7h s ARG 67 Ca 0.27 -0.27 0.05 0.00 -0.47 0.00 0.00 55.73 55.30 1c7h s ARG 67 Cb -0.06 -0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 33.82 1c7h s ARG 67 CO 0.13 0.13 -0.15 0.00 -1.08 0.00 0.00 175.30 174.34 1c7h s ALA 68 N -0.24 1.21 0.07 7.88 0.00 -1.26 -1.39 121.76 128.03 1c7h s ALA 68 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1c7h s ALA 68 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1c7h s ALA 68 CO -0.00 0.28 -0.06 0.00 0.00 0.00 0.00 175.76 175.98 1c7h s LEU 70 N -2.55 4.49 -0.14 0.00 1.43 -1.26 -1.11 118.68 119.54 1c7h s LEU 70 Ca 0.04 1.57 0.16 0.00 -1.03 0.00 0.00 54.13 54.86 1c7h s LEU 70 Cb 0.01 -3.33 0.42 0.00 0.03 0.00 0.00 46.19 43.32 1c7h s LEU 70 CO -0.04 0.04 1.31 0.35 0.23 0.00 0.00 176.35 178.24 1c7h n THR 71 N 2.55 1.97 0.00 5.49 -2.24 -0.79 -4.89 114.28 116.36 1c7h n THR 71 Ca -0.02 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 1c7h n THR 71 Cb 0.50 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1c7h n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c7h n GLY 72 N -0.63 0.67 3.70 3.38 0.00 -1.26 -4.98 105.19 106.07 1c7h n GLY 72 Ca 0.18 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1c7h n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c7h s PRO 73 N -2.00 1.38 -0.21 1.61 0.04 -1.26 -4.53 135.00 130.04 1c7h s PRO 73 Ca 0.00 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.29 1c7h s PRO 73 Cb 0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1c7h s PRO 73 CO 0.00 -2.35 0.78 0.08 0.04 0.00 0.00 177.00 175.55 1c7h s VAL 74 N -2.65 4.90 -0.23 -0.36 1.01 -1.26 -4.48 120.40 117.33 1c7h s VAL 74 Ca 0.66 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.92 1c7h s VAL 74 Cb -0.22 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1c7h s VAL 74 CO 0.56 0.01 0.72 0.00 0.00 0.00 0.00 175.10 176.39 1c7h s ALA 75 N 2.37 3.61 0.13 5.51 0.00 -0.33 -4.93 121.76 128.12 1c7h s ALA 75 Ca 0.35 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1c7h s ALA 75 Cb -0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1c7h s ALA 75 CO 0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 175.76 174.87 1c7h s ALA 76 N 2.50 1.87 0.19 0.00 0.00 -1.26 -0.90 121.76 124.15 1c7h s ALA 76 Ca 0.31 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1c7h s ALA 76 Cb -0.16 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1c7h s ALA 76 CO 0.09 0.29 0.09 -1.13 0.00 0.00 0.00 175.76 175.10 1c7h n SER 77 N 0.73 1.97 -0.86 0.00 3.41 -0.73 -4.99 113.62 113.15 1c7h n SER 77 Ca -0.17 -1.71 0.11 0.00 -0.26 0.00 0.00 58.87 56.84 1c7h n SER 77 Cb 0.55 0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.63 1c7h n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1c7h n HIS 78 N -0.75 0.00 -1.26 7.33 8.25 -1.26 -3.98 115.22 123.55 1c7h n HIS 78 Ca -0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 1c7h n HIS 78 Cb 0.22 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.54 1c7h n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1c7h n ASN 79 N 1.10 3.57 -0.46 0.41 2.04 -1.26 -4.87 115.26 115.79 1c7h n ASN 79 Ca 0.13 -3.58 -0.04 0.00 -0.44 0.00 0.00 54.58 50.65 1c7h n ASN 79 Cb 0.56 -0.76 -0.00 0.00 -2.53 0.00 0.00 39.78 37.05 1c7h n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1c7h n GLY 80 N -0.97 0.26 3.33 4.83 0.00 -1.26 -4.90 105.19 106.48 1c7h n GLY 80 Ca 0.48 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 1c7h n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7h s GLY 82 N -2.51 -0.56 0.05 0.00 0.00 -0.61 -1.77 107.32 101.92 1c7h s GLY 82 Ca 0.14 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.47 1c7h s GLY 82 CO 0.06 0.21 0.06 0.00 0.00 0.00 0.00 173.10 173.44 1c7h s ALA 83 N -3.54 0.13 -0.16 3.20 0.00 -0.08 -1.25 121.76 120.05 1c7h s ALA 83 Ca 0.03 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1c7h s ALA 83 Cb -0.01 0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.48 1c7h s ALA 83 CO -0.11 -0.36 0.75 0.00 0.00 0.00 0.00 175.76 176.03 1c7h s MET 84 N -3.22 0.90 -0.06 0.00 0.23 0.09 -1.19 119.30 116.05 1c7h s MET 84 Ca 0.00 0.54 -0.09 0.00 -1.03 0.00 0.00 55.69 55.12 1c7h s MET 84 Cb 0.03 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 1c7h s MET 84 CO -0.07 -0.22 0.23 -1.25 -2.03 0.00 0.00 175.02 171.68 1c7h s PRO 85 N -0.52 3.59 0.12 3.16 0.04 -1.26 -1.62 135.00 138.51 1c7h s PRO 85 Ca -0.05 0.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.75 1c7h s PRO 85 Cb -0.02 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.42 1c7h s PRO 85 CO 0.05 0.73 0.62 -0.59 0.04 0.00 0.00 177.00 177.85 1c7h s PHE 86 N -1.10 -0.55 -0.06 0.56 -0.71 -0.91 -1.89 117.98 113.31 1c7h s PHE 86 Ca 0.20 0.45 0.02 0.00 -1.04 0.00 0.00 56.93 56.57 1c7h s PHE 86 Cb -0.13 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.19 1c7h s PHE 86 CO 0.09 -0.80 -0.12 0.50 -1.34 0.00 0.00 175.22 173.55 1c7h s ARG 87 N -3.32 2.66 -0.25 1.99 3.52 -0.27 -0.93 118.95 122.35 1c7h s ARG 87 Ca -0.01 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 54.91 1c7h s ARG 87 Cb -0.01 -2.47 0.02 0.00 -1.56 0.00 0.00 34.95 30.93 1c7h s ARG 87 CO -0.09 0.59 -0.03 0.08 -0.81 0.00 0.00 175.30 175.04 1c7h s VAL 88 N -0.64 3.18 -0.44 7.11 1.01 0.14 -1.91 120.40 128.84 1c7h s VAL 88 Ca 0.10 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 1c7h s VAL 88 Cb -0.11 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.74 1c7h s VAL 88 CO 0.01 0.23 0.34 -1.61 0.00 0.00 0.00 175.10 174.07 1c7h s GLU 89 N 1.39 2.92 0.00 2.72 2.02 -0.48 -0.06 118.70 127.21 1c7h s GLU 89 Ca 0.02 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.75 1c7h s GLU 89 Cb -0.16 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 30.05 1c7h s GLU 89 CO -0.03 -0.93 0.00 0.00 0.02 0.00 0.00 175.26 174.32 1c7h n MET 90 N 5.14 3.60 -3.23 1.61 0.00 0.19 -3.43 117.12 120.99 1c7h n MET 90 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.56 1c7h n MET 90 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.64 1c7h n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1c7h s VAL 91 N 2.12 -0.89 -0.28 3.17 1.01 -1.26 -2.99 120.40 121.28 1c7h s VAL 91 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 1c7h s VAL 91 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.23 1c7h s VAL 91 CO 0.00 -0.10 1.00 0.86 0.00 0.00 0.00 175.10 176.86 1c7h s TRP 92 N 1.82 3.23 -1.33 5.22 -0.00 1.80 -4.27 118.94 125.41 1c7h s TRP 92 Ca 0.16 1.21 -0.23 0.00 -0.00 0.00 0.00 56.10 57.24 1c7h s TRP 92 Cb -0.06 -3.43 0.03 0.00 -0.00 0.00 0.00 33.47 30.00 1c7h s TRP 92 CO -0.07 -0.62 0.45 0.09 -0.00 0.00 0.00 176.95 176.80 1c7h n ASN 93 N 6.52 -2.37 0.00 5.86 5.03 -1.26 0.90 115.26 129.94 1c7h n ASN 93 Ca 0.10 -1.29 0.00 0.00 0.87 0.00 0.00 54.58 54.26 1c7h n ASN 93 Cb 0.47 -1.67 0.00 0.00 -1.02 0.00 0.00 39.78 37.56 1c7h n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1c7h n GLY 94 N -2.26 2.27 3.66 7.41 0.00 -1.26 -4.97 105.19 110.04 1c7h n GLY 94 Ca -0.19 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1c7h n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1c7h s GLN 95 N 0.00 4.19 0.07 1.61 0.74 0.26 -5.03 119.66 121.50 1c7h s GLN 95 Ca 0.00 0.43 -0.30 0.00 0.05 0.00 0.00 55.36 55.54 1c7h s GLN 95 Cb 0.00 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 1c7h s GLN 95 CO 0.00 -0.17 1.09 -1.25 -0.55 0.00 0.00 175.29 174.41 1c7h s PRO 96 N 1.69 4.53 0.24 1.67 0.04 -1.26 0.49 135.00 142.40 1c7h s PRO 96 Ca 0.24 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1c7h s PRO 96 Cb -0.15 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1c7h s PRO 96 CO 0.10 -0.08 0.11 0.00 0.04 0.00 0.00 177.00 177.17 1c7h s ALA 98 N -3.88 0.91 -0.05 0.00 0.00 0.03 -0.64 121.76 118.13 1c7h s ALA 98 Ca 0.38 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1c7h s ALA 98 Cb 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1c7h s ALA 98 CO 0.13 0.14 -0.11 -1.17 0.00 0.00 0.00 175.76 174.75 1c7h s LEU 99 N -1.13 1.65 -0.29 0.00 2.96 0.92 -0.83 118.68 121.95 1c7h s LEU 99 Ca -0.02 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1c7h s LEU 99 Cb -0.08 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 1c7h s LEU 99 CO 0.01 0.04 0.14 -1.81 -1.32 0.00 0.00 176.35 173.40 1c7h s ASP 100 N 0.55 5.51 0.37 3.68 1.01 -1.01 0.23 116.67 127.00 1c7h s ASP 100 Ca -0.11 -0.37 0.08 0.00 0.71 0.00 0.00 52.55 52.86 1c7h s ASP 100 Cb -0.14 -2.00 -0.07 0.00 1.01 0.00 0.00 42.92 41.73 1c7h s ASP 100 CO 0.03 -0.13 -0.01 -0.69 0.21 0.00 0.00 175.17 174.57 1c7h s VAL 101 N 1.63 2.26 -0.08 -1.27 1.01 -0.11 -4.80 120.40 119.05 1c7h s VAL 101 Ca 0.05 -2.03 -0.01 0.00 0.00 0.00 0.00 61.98 59.99 1c7h s VAL 101 Cb -0.16 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1c7h s VAL 101 CO 0.06 -0.12 -0.01 -0.63 0.00 0.00 0.00 175.10 174.40 1c7h s ILE 102 N -2.62 0.51 -0.05 2.22 -1.09 -0.97 -2.13 121.20 117.06 1c7h s ILE 102 Ca 0.35 0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.78 1c7h s ILE 102 Cb 0.04 -0.64 -0.04 0.00 -1.58 0.00 0.00 42.46 40.25 1c7h s ILE 102 CO 0.18 0.28 0.10 -1.81 -1.23 0.00 0.00 174.94 172.46 1c7h s ASP 103 N 1.91 5.88 -0.14 3.58 1.11 -0.64 -0.51 116.67 127.85 1c7h s ASP 103 Ca 0.05 0.26 0.00 0.00 0.18 0.00 0.00 52.55 53.04 1c7h s ASP 103 Cb -0.12 -1.77 0.02 0.00 1.07 0.00 0.00 42.92 42.12 1c7h s ASP 103 CO -0.06 0.33 -0.13 -0.69 1.18 0.00 0.00 175.17 175.80 1c7h s VAL 104 N -1.11 1.46 0.16 -1.27 1.01 -0.29 -0.73 120.40 119.62 1c7h s VAL 104 Ca 0.19 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.72 1c7h s VAL 104 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1c7h s VAL 104 CO 0.10 0.44 -0.24 -0.04 0.00 0.00 0.00 175.10 175.36 1c7h s MET 105 N 1.51 1.39 -0.10 2.72 -1.94 -0.38 -1.29 119.30 121.22 1c7h s MET 105 Ca 0.04 -1.41 0.01 0.00 -1.71 0.00 0.00 55.69 52.62 1c7h s MET 105 Cb -0.13 -1.73 0.02 0.00 2.01 0.00 0.00 34.83 35.01 1c7h s MET 105 CO -0.10 0.39 -0.09 0.50 -0.01 0.00 0.00 175.02 175.70 1c7h s ARG 106 N -2.41 1.60 0.33 2.03 3.52 -0.32 -1.57 118.95 122.13 1c7h s ARG 106 Ca 0.16 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 1c7h s ARG 106 Cb -0.08 -1.52 -0.03 0.00 -1.56 0.00 0.00 34.95 31.75 1c7h s ARG 106 CO 0.07 -0.16 0.52 -0.06 -0.81 0.00 0.00 175.30 174.87 1c7h s PHE 107 N 1.31 3.49 0.38 5.12 0.40 0.82 0.24 117.98 129.75 1c7h s PHE 107 Ca -0.02 0.29 0.05 0.00 -0.60 0.00 0.00 56.93 56.65 1c7h s PHE 107 Cb -0.14 -1.85 0.05 0.00 0.51 0.00 0.00 43.02 41.59 1c7h s PHE 107 CO -0.04 0.16 0.42 -0.40 0.70 0.00 0.00 175.22 176.06 1c7h n ASP 108 N -1.74 1.78 0.00 1.36 5.68 0.19 -4.73 116.55 119.10 1c7h n ASP 108 Ca -0.05 -2.15 0.03 0.00 -0.50 0.00 0.00 54.79 52.11 1c7h n ASP 108 Cb 0.56 -0.16 0.15 0.00 -1.14 0.00 0.00 41.12 40.53 1c7h n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1c7h n GLU 109 N -1.63 0.23 0.00 0.11 0.00 -1.26 -0.99 120.64 117.10 1c7h n GLU 109 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.23 1c7h n GLU 109 Cb 0.41 -1.36 0.00 0.00 0.00 0.00 0.00 31.44 30.49 1c7h n GLU 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1c7h n HIS 110 N -0.86 0.00 -0.64 -1.84 8.25 -1.26 -3.55 115.22 115.31 1c7h n HIS 110 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1c7h n HIS 110 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1c7h n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c7h n GLY 111 N 0.60 0.62 3.88 -1.41 0.00 -0.16 -4.57 105.19 104.16 1c7h n GLY 111 Ca 0.02 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1c7h n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c7h s ARG 112 N -0.99 3.17 -0.57 1.61 0.52 -1.26 -4.84 118.95 116.59 1c7h s ARG 112 Ca 0.00 -0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 54.11 1c7h s ARG 112 Cb 0.00 -2.77 0.03 0.00 0.52 0.00 0.00 34.95 32.73 1c7h s ARG 112 CO 0.00 0.46 1.25 0.42 0.02 0.00 0.00 175.30 177.45 1c7h s ILE 113 N -1.90 3.95 0.05 1.52 1.01 -0.60 -0.64 121.20 124.60 1c7h s ILE 113 Ca 0.33 0.85 -0.18 0.00 0.00 0.00 0.00 60.65 61.64 1c7h s ILE 113 Cb -0.10 -4.64 -0.15 0.00 0.01 0.00 0.00 42.46 37.59 1c7h s ILE 113 CO 0.26 -1.29 1.31 -0.61 0.00 0.00 0.00 174.94 174.61 1c7h h GLN 114 N 9.95 0.49 -3.07 2.79 4.15 -0.50 -2.84 115.11 126.07 1c7h h GLN 114 Ca -0.25 -0.31 -0.16 0.00 0.77 0.00 0.00 58.65 58.70 1c7h h GLN 114 Cb 1.07 0.04 -0.25 0.00 0.21 0.00 0.00 27.48 28.54 1c7h h GLN 114 CO 1.18 0.91 -0.39 -0.08 -1.93 0.00 0.00 178.83 178.52 1c7h s THR 115 N -4.05 0.00 0.03 2.39 -1.32 -1.04 -2.40 115.64 109.25 1c7h s THR 115 Ca -0.13 -0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.40 1c7h s THR 115 Cb 0.06 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.64 1c7h s THR 115 CO 0.80 -0.01 -0.18 -0.32 -2.21 0.00 0.00 174.62 172.70 1c7h s MET 116 N 0.12 1.25 -0.05 7.08 1.75 -0.96 -1.18 119.30 127.31 1c7h s MET 116 Ca -0.00 -0.84 -0.02 0.00 -1.25 0.00 0.00 55.69 53.58 1c7h s MET 116 Cb -0.02 -1.31 0.04 0.00 2.84 0.00 0.00 34.83 36.38 1c7h s MET 116 CO 0.00 0.33 0.09 -0.65 -0.65 0.00 0.00 175.02 174.15 1c7h s GLN 117 N -1.06 0.01 -0.11 4.11 -0.21 -0.41 -1.44 119.66 120.55 1c7h s GLN 117 Ca 0.06 0.32 -0.02 0.00 0.02 0.00 0.00 55.36 55.74 1c7h s GLN 117 Cb -0.08 -0.25 -0.03 0.00 1.00 0.00 0.00 33.01 33.65 1c7h s GLN 117 CO 0.01 -0.20 -0.04 0.00 -2.12 0.00 0.00 175.29 172.94 1c7h s ALA 118 N 1.36 3.05 -0.28 6.09 0.00 0.53 -1.14 121.76 131.37 1c7h s ALA 118 Ca -0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1c7h s ALA 118 Cb -0.12 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1c7h s ALA 118 CO -0.04 0.43 0.04 0.71 0.00 0.00 0.00 175.76 176.89 1c7h s TYR 119 N -0.33 3.12 -0.03 0.00 1.51 0.33 0.63 117.35 122.57 1c7h s TYR 119 Ca 0.05 -1.10 -0.30 0.00 -1.01 0.00 0.00 57.07 54.71 1c7h s TYR 119 Cb -0.12 -2.20 0.11 0.00 -0.11 0.00 0.00 41.96 39.64 1c7h s TYR 119 CO 0.02 -0.61 1.11 1.67 -1.11 0.00 0.00 175.55 176.64 1c7h s TRP 120 N 1.46 -0.15 0.09 2.71 1.48 -1.26 -2.30 118.94 120.96 1c7h s TRP 120 Ca 0.02 0.02 -0.05 0.00 -1.06 0.00 0.00 56.10 55.03 1c7h s TRP 120 Cb -0.17 0.55 0.02 0.00 -1.16 0.00 0.00 33.47 32.71 1c7h s TRP 120 CO 0.00 -0.42 0.25 -1.13 -4.06 0.00 0.00 176.95 171.60 1c7h n SER 121 N -0.31 -0.58 0.00 -2.66 3.41 -1.26 -4.74 113.62 107.48 1c7h n SER 121 Ca -0.05 -1.36 0.07 0.00 -0.26 0.00 0.00 58.87 57.26 1c7h n SER 121 Cb 0.61 0.96 0.39 0.00 -0.26 0.00 0.00 64.21 65.90 1c7h n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c7h n GLU 122 N -0.17 0.37 0.05 4.33 4.71 -1.26 -1.66 120.64 127.00 1c7h n GLU 122 Ca -0.02 0.04 0.13 0.00 -0.01 0.00 0.00 57.16 57.30 1c7h n GLU 122 Cb 0.17 -1.50 0.37 0.00 -1.01 0.00 0.00 31.44 29.47 1c7h n GLU 122 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1c7h n VAL 123 N -1.07 0.27 0.68 2.62 0.24 -1.26 -3.40 118.33 116.41 1c7h n VAL 123 Ca 0.09 -0.16 0.08 0.00 -2.04 0.00 0.00 64.34 62.31 1c7h n VAL 123 Cb 0.06 -0.29 0.03 0.00 -1.47 0.00 0.00 33.84 32.17 1c7h n VAL 123 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1c7h n ASN 124 N -1.89 1.91 -4.80 -1.34 4.13 -0.66 -4.96 115.26 107.65 1c7h n ASN 124 Ca 0.05 -1.45 -0.38 0.00 1.68 0.00 0.00 54.58 54.48 1c7h n ASN 124 Cb 0.39 0.27 -0.06 0.00 -1.54 0.00 0.00 39.78 38.84 1c7h n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1c7h s LEU 125 N -1.72 4.51 -0.33 3.41 0.20 -1.22 -2.41 118.68 121.12 1c7h s LEU 125 Ca 0.15 1.47 0.00 0.00 0.69 0.00 0.00 54.13 56.45 1c7h s LEU 125 Cb 0.13 -3.25 0.11 0.00 -0.43 0.00 0.00 46.19 42.74 1c7h s LEU 125 CO 0.31 0.18 0.11 -0.44 -0.29 0.00 0.00 176.35 176.23 1c7h s SER 126 N -1.27 4.07 0.00 3.68 0.01 -0.01 -4.99 113.70 115.18 1c7h s SER 126 Ca 0.36 -1.86 0.11 0.00 1.31 0.00 0.00 55.95 55.87 1c7h s SER 126 Cb -0.20 -0.99 0.09 0.00 0.21 0.00 0.00 66.02 65.13 1c7h s SER 126 CO 0.23 -0.39 0.85 0.55 0.41 0.00 0.00 173.24 174.89