#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c20 s TRP 4 N 0.00 3.61 0.09 1.61 -0.00 -1.26 -4.99 118.94 118.00 1c20 s TRP 4 Ca 0.00 1.10 -0.03 0.00 -0.00 0.00 0.00 56.10 57.17 1c20 s TRP 4 Cb 0.00 -2.62 -0.03 0.00 -0.00 0.00 0.00 33.47 30.82 1c20 s TRP 4 CO 0.00 0.25 0.05 -1.54 -0.00 0.00 0.00 176.95 175.71 1c20 s SER 5 N 0.26 0.34 0.39 5.86 1.04 -1.26 -5.02 113.70 115.31 1c20 s SER 5 Ca 0.31 -1.00 0.08 0.00 0.48 0.00 0.00 55.95 55.81 1c20 s SER 5 Cb -0.17 0.27 0.79 0.00 0.10 0.00 0.00 66.02 67.01 1c20 s SER 5 CO 0.15 -0.68 1.97 2.19 0.98 0.00 0.00 173.24 177.84 1c20 h PHE 6 N 2.95 0.41 -0.52 5.02 -0.00 -2.00 -1.45 116.94 121.36 1c20 h PHE 6 Ca -0.34 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.97 57.53 1c20 h PHE 6 Cb 1.17 -0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 36.97 1c20 h PHE 6 CO 0.47 0.38 0.01 0.93 -0.00 0.00 0.00 178.31 180.11 1c20 h GLU 7 N 0.41 0.86 -0.34 6.09 5.08 -1.98 -0.40 114.58 124.29 1c20 h GLU 7 Ca 0.10 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1c20 h GLU 7 Cb 0.19 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1c20 h GLU 7 CO -0.00 0.85 0.21 1.49 -1.00 0.00 0.00 179.01 180.56 1c20 h GLU 8 N 0.80 0.45 -0.08 2.33 4.57 -1.66 -1.06 114.58 119.94 1c20 h GLU 8 Ca 0.16 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.18 1c20 h GLU 8 Cb 0.46 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1c20 h GLU 8 CO 0.02 0.33 -0.48 0.37 -1.18 0.00 0.00 179.01 178.07 1c20 h GLN 9 N 0.45 0.21 0.25 1.92 5.75 -1.26 -2.99 115.11 119.43 1c20 h GLN 9 Ca 0.12 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1c20 h GLN 9 Cb -0.02 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1c20 h GLN 9 CO -0.02 0.65 -0.12 0.35 -2.65 0.00 0.00 178.83 177.03 1c20 h PHE 10 N 0.17 -0.31 -0.10 3.99 3.57 -0.40 -2.84 116.94 121.01 1c20 h PHE 10 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1c20 h PHE 10 Cb 0.91 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1c20 h PHE 10 CO 0.01 -0.01 0.07 1.57 -2.23 0.00 0.00 178.31 177.72 1c20 h LYS 11 N -0.60 0.13 -0.55 1.11 2.10 -1.26 -0.02 116.57 117.49 1c20 h LYS 11 Ca -0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1c20 h LYS 11 Cb 0.43 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.70 1c20 h LYS 11 CO 0.06 0.09 0.36 1.96 -2.00 0.00 0.00 179.45 179.92 1c20 h GLN 12 N 0.14 0.73 -0.84 0.07 4.20 -1.35 0.04 115.11 118.09 1c20 h GLN 12 Ca 0.04 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1c20 h GLN 12 Cb -0.01 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 1c20 h GLN 12 CO -0.01 0.48 0.55 -0.24 -0.67 0.00 0.00 178.83 178.95 1c20 h VAL 13 N 0.75 1.19 -0.99 -0.54 3.04 -0.80 -1.04 116.25 117.86 1c20 h VAL 13 Ca 0.20 -0.38 0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1c20 h VAL 13 Cb -0.08 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 29.13 1c20 h VAL 13 CO -0.04 0.20 0.66 -0.09 -1.01 0.00 0.00 177.57 177.29 1c20 h ARG 14 N 1.11 1.30 0.00 4.17 2.43 -0.99 -0.89 114.38 121.51 1c20 h ARG 14 Ca 0.32 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1c20 h ARG 14 Cb -0.08 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.17 1c20 h ARG 14 CO -0.08 0.86 -0.08 -0.56 -1.51 0.00 0.00 179.97 178.60 1c20 h GLN 15 N 1.34 0.00 0.01 0.20 3.07 -0.95 -2.03 115.11 116.74 1c20 h GLN 15 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.10 1c20 h GLN 15 Cb -0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.41 1c20 h GLN 15 CO -0.08 0.08 -0.00 -0.07 0.09 0.00 0.00 178.83 178.85 1c20 h LEU 16 N 0.00 -0.01 -0.79 0.06 3.38 -0.90 -2.73 115.31 114.32 1c20 h LEU 16 Ca -0.00 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1c20 h LEU 16 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1c20 h LEU 16 CO 0.01 0.21 0.22 1.88 0.09 0.00 0.00 178.44 180.85 1c20 h TYR 17 N -0.22 1.17 0.00 1.13 -1.99 -1.41 -2.07 116.97 113.58 1c20 h TYR 17 Ca -0.00 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1c20 h TYR 17 Cb 0.22 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.61 1c20 h TYR 17 CO -0.00 0.92 0.00 0.39 -0.00 0.00 0.00 178.16 179.47 1c20 n GLU 18 N -4.25 0.07 -0.36 4.88 1.02 -0.80 -3.02 120.64 118.19 1c20 n GLU 18 Ca 0.06 0.27 0.08 0.00 -0.02 0.00 0.00 57.16 57.55 1c20 n GLU 18 Cb 0.23 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.40 1c20 n GLU 18 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c20 h ILE 19 N 0.00 0.87 -1.98 -3.67 2.04 -1.07 -3.45 117.51 110.26 1c20 h ILE 19 Ca 0.00 -0.32 0.25 0.00 1.00 0.00 0.00 64.86 65.79 1c20 h ILE 19 Cb 0.11 -0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 35.95 1c20 h ILE 19 CO 0.00 0.17 0.67 0.21 0.00 0.00 0.00 178.15 179.20 1c20 s ASN 20 N -5.63 -0.09 -0.09 1.72 3.04 -1.17 -5.00 114.94 107.73 1c20 s ASN 20 Ca -0.12 -0.31 0.10 0.00 0.04 0.00 0.00 52.86 52.57 1c20 s ASN 20 Cb 0.23 0.33 0.44 0.00 -1.54 0.00 0.00 41.25 40.71 1c20 s ASN 20 CO 0.81 -0.62 1.26 0.47 -3.04 0.00 0.00 177.10 175.98 1c20 n ASP 21 N -0.62 3.21 -4.52 -4.21 8.00 -1.26 -4.92 116.55 112.23 1c20 n ASP 21 Ca -0.06 -2.34 -0.50 0.00 0.71 0.00 0.00 54.79 52.61 1c20 n ASP 21 Cb 0.61 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1c20 n ASP 22 N 0.52 2.50 -0.22 -2.24 2.03 -1.26 -4.83 116.55 113.05 1c20 n ASP 22 Ca 0.16 0.51 -0.03 0.00 0.52 0.00 0.00 54.79 55.94 1c20 n ASP 22 Cb 0.64 -1.31 0.16 0.00 -0.72 0.00 0.00 41.12 39.88 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1c20 h PRO 23 N 11.98 1.02 -0.34 -0.67 0.14 -2.00 -2.55 132.00 139.59 1c20 h PRO 23 Ca -0.34 -0.15 0.00 0.00 0.14 0.00 0.00 66.00 65.66 1c20 h PRO 23 Cb 1.30 -0.18 -0.02 0.00 0.14 0.00 0.00 31.00 32.24 1c20 h PRO 23 CO 1.00 0.80 0.22 -0.22 0.14 0.00 0.00 178.00 179.94 1c20 h LYS 24 N 1.01 0.45 -0.74 0.86 1.63 -2.00 -0.14 116.57 117.64 1c20 h LYS 24 Ca 0.24 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1c20 h LYS 24 Cb 0.13 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1c20 h LYS 24 CO -0.03 0.29 0.46 -0.09 -3.45 0.00 0.00 179.45 176.64 1c20 h ARG 25 N 0.46 0.99 -0.64 1.90 2.43 -1.90 -0.42 114.38 117.20 1c20 h ARG 25 Ca 0.12 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1c20 h ARG 25 Cb -0.05 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 1c20 h ARG 25 CO -0.03 0.68 0.42 -0.22 -1.51 0.00 0.00 179.97 179.32 1c20 h LYS 26 N 1.00 0.84 -0.13 0.20 3.64 -1.00 0.12 116.57 121.24 1c20 h LYS 26 Ca 0.27 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1c20 h LYS 26 Cb -0.07 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1c20 h LYS 26 CO -0.05 0.55 0.09 1.49 -2.27 0.00 0.00 179.45 179.26 1c20 h GLU 27 N 0.86 0.18 0.22 1.90 4.81 -0.25 0.18 114.58 122.48 1c20 h GLU 27 Ca 0.23 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1c20 h GLU 27 Cb -0.10 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1c20 h GLU 27 CO -0.05 0.12 -0.11 0.35 -0.73 0.00 0.00 179.01 178.59 1c20 h PHE 28 N 0.18 -0.28 -0.05 0.92 3.04 -0.54 0.59 116.94 120.80 1c20 h PHE 28 Ca 0.05 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1c20 h PHE 28 Cb -0.02 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 1c20 h PHE 28 CO -0.07 -0.16 0.03 -0.07 -2.02 0.00 0.00 178.31 176.03 1c20 h LEU 29 N -0.32 0.06 -0.86 0.59 3.38 -0.63 1.07 115.31 118.60 1c20 h LEU 29 Ca -0.03 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1c20 h LEU 29 Cb 0.25 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1c20 h LEU 29 CO 0.05 0.05 0.57 -0.78 0.09 0.00 0.00 178.44 178.41 1c20 h ASP 30 N 0.07 0.98 0.18 -0.43 1.82 -0.52 0.33 116.42 118.85 1c20 h ASP 30 Ca 0.02 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1c20 h ASP 30 Cb -0.01 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.76 1c20 h ASP 30 CO -0.00 0.71 -0.09 -0.78 -1.61 0.00 0.00 179.24 177.47 1c20 h ASP 31 N 1.16 -0.21 0.01 2.28 1.82 0.86 0.71 116.42 123.04 1c20 h ASP 31 Ca 0.32 -0.32 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1c20 h ASP 31 Cb -0.12 0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1c20 h ASP 31 CO -0.07 0.28 -0.00 0.25 -1.61 0.00 0.00 179.24 178.08 1c20 h LEU 32 N -0.77 -0.01 -1.09 2.28 5.85 0.13 0.04 115.31 121.74 1c20 h LEU 32 Ca -0.02 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 32 Cb 0.51 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1c20 h LEU 32 CO 0.04 -0.00 0.62 -0.26 -0.34 0.00 0.00 178.44 178.49 1c20 h PHE 33 N -0.01 1.17 -0.97 1.25 0.04 -0.41 -1.59 116.94 116.42 1c20 h PHE 33 Ca -0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1c20 h PHE 33 Cb 0.01 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 37.71 1c20 h PHE 33 CO -0.08 0.73 0.64 0.77 -0.60 0.00 0.00 178.31 179.77 1c20 h SER 34 N 1.26 1.12 0.83 2.17 0.02 0.01 0.42 113.55 119.38 1c20 h SER 34 Ca 0.34 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1c20 h SER 34 Cb -0.14 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.12 1c20 h SER 34 CO -0.07 0.81 -0.40 0.15 -1.14 0.00 0.00 176.83 176.18 1c20 h PHE 35 N 1.31 -1.04 0.00 3.45 3.04 -0.04 -2.66 116.94 121.01 1c20 h PHE 35 Ca 0.35 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1c20 h PHE 35 Cb -0.15 0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1c20 h PHE 35 CO -0.00 -0.64 0.00 0.00 -2.02 0.00 0.00 178.31 175.65 1c20 n MET 36 N -5.53 0.11 0.04 1.11 0.00 -0.95 -3.03 117.12 108.86 1c20 n MET 36 Ca -0.14 0.37 0.02 0.00 0.00 0.00 0.00 57.70 57.94 1c20 n MET 36 Cb 0.45 -1.72 0.08 0.00 0.00 0.00 0.00 33.22 32.04 1c20 n MET 36 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1c20 n GLN 37 N -1.92 0.02 -0.13 3.17 7.27 0.15 -1.54 117.38 124.40 1c20 n GLN 37 Ca 0.02 0.34 -0.04 0.00 0.07 0.00 0.00 57.00 57.39 1c20 n GLN 37 Cb 0.18 -1.83 0.02 0.00 2.41 0.00 0.00 30.24 31.02 1c20 n GLN 37 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1c20 h LYS 38 N 0.00 -0.04 -0.35 3.69 3.64 -1.72 0.22 116.57 122.00 1c20 h LYS 38 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1c20 h LYS 38 Cb 0.52 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1c20 h LYS 38 CO 0.00 -0.03 -0.42 0.00 -2.27 0.00 0.00 179.45 176.74 1c20 h ARG 39 N -0.04 0.89 0.00 1.90 3.08 -1.60 -3.47 114.38 115.13 1c20 h ARG 39 Ca 0.21 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1c20 h ARG 39 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1c20 h ARG 39 CO -0.47 1.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.97 1c20 n GLY 40 N 0.16 0.67 3.65 0.04 0.00 0.77 -5.10 105.19 105.38 1c20 n GLY 40 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1c20 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c20 s THR 41 N -2.00 3.65 0.00 2.61 -4.23 -1.26 -4.96 115.64 109.44 1c20 s THR 41 Ca 0.00 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1c20 s THR 41 Cb 0.00 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1c20 s THR 41 CO 0.00 -0.11 0.00 -0.81 -0.54 0.00 0.00 174.62 173.16 1c20 n PRO 42 N -0.10 2.39 0.00 3.99 -0.04 -1.26 -4.75 135.00 135.23 1c20 n PRO 42 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1c20 n PRO 42 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1c20 n PRO 42 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1c20 n ILE 43 N 0.00 0.00 0.00 0.52 0.13 -1.26 -5.04 119.36 113.71 1c20 n ILE 43 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1c20 n ILE 43 Cb 0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 39.64 38.27 1c20 n ILE 43 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1c20 n ASN 44 N 0.00 0.00 -4.01 9.51 5.15 -1.26 -5.02 115.26 119.63 1c20 n ASN 44 Ca 0.00 0.29 -0.11 0.00 -0.60 0.00 0.00 54.58 54.16 1c20 n ASN 44 Cb 0.00 -0.42 -0.12 0.00 -0.53 0.00 0.00 39.78 38.72 1c20 n ASN 44 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c20 s ARG 45 N -0.84 0.40 -0.36 1.20 0.52 -1.26 -5.07 118.95 113.55 1c20 s ARG 45 Ca 0.00 -0.63 -0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1c20 s ARG 45 Cb 0.00 -0.10 0.13 0.00 0.52 0.00 0.00 34.95 35.49 1c20 s ARG 45 CO 0.00 0.01 0.19 -0.51 0.02 0.00 0.00 175.30 175.01 1c20 s LEU 46 N -1.37 1.60 1.05 2.53 1.43 -1.26 -5.11 118.68 117.54 1c20 s LEU 46 Ca -0.12 -2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 50.77 1c20 s LEU 46 Cb -0.09 -0.64 0.22 0.00 0.03 0.00 0.00 46.19 45.70 1c20 s LEU 46 CO -0.00 -0.33 1.07 -2.84 0.23 0.00 0.00 176.35 174.48 1c20 s PRO 47 N 1.10 -0.01 -0.20 1.29 0.02 -1.26 -4.83 135.00 131.10 1c20 s PRO 47 Ca 0.15 1.03 -0.06 0.00 0.02 0.00 0.00 61.00 62.15 1c20 s PRO 47 Cb -0.22 -1.64 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 1c20 s PRO 47 CO -0.09 -3.17 0.03 0.42 -0.33 0.00 0.00 177.00 173.86 1c20 s ILE 48 N -2.60 4.27 -1.00 2.83 -1.09 -1.26 -2.84 121.20 119.51 1c20 s ILE 48 Ca 0.67 -0.21 -0.17 0.00 -2.23 0.00 0.00 60.65 58.72 1c20 s ILE 48 Cb -0.23 -2.94 0.16 0.00 -1.58 0.00 0.00 42.46 37.87 1c20 s ILE 48 CO 0.61 0.43 1.16 -0.04 -1.23 0.00 0.00 174.94 175.87 1c20 s MET 49 N 0.86 3.75 -0.16 2.79 -1.94 0.22 -4.77 119.30 120.04 1c20 s MET 49 Ca 0.02 -2.11 -0.14 0.00 -1.71 0.00 0.00 55.69 51.74 1c20 s MET 49 Cb -0.14 -4.88 0.02 0.00 2.01 0.00 0.00 34.83 31.84 1c20 s MET 49 CO 0.02 -1.69 0.24 0.00 -0.01 0.00 0.00 175.02 173.58 1c20 n ALA 50 N 5.86 -1.86 0.00 3.03 0.00 -1.26 0.97 120.51 127.24 1c20 n ALA 50 Ca 0.26 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1c20 n ALA 50 Cb 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1c20 n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c20 n LYS 51 N 0.51 0.00 -2.71 0.00 0.00 -1.26 -4.90 118.16 109.80 1c20 n LYS 51 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.07 1c20 n LYS 51 Cb 0.45 -0.97 0.05 0.00 0.00 0.00 0.00 35.03 34.56 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1c20 s SER 52 N -0.15 5.17 -0.02 3.14 0.01 0.27 -5.11 113.70 117.01 1c20 s SER 52 Ca 0.00 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.11 1c20 s SER 52 Cb 0.00 -0.61 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 1c20 s SER 52 CO 0.00 -1.22 -0.13 0.54 0.41 0.00 0.00 173.24 172.84 1c20 s VAL 53 N -2.76 1.07 -0.65 3.43 0.11 -1.26 0.69 120.40 121.04 1c20 s VAL 53 Ca 0.59 -0.56 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 1c20 s VAL 53 Cb -0.09 -0.91 -0.07 0.00 -1.53 0.00 0.00 36.38 33.79 1c20 s VAL 53 CO 0.39 0.31 2.18 -0.22 -3.33 0.00 0.00 175.10 174.42 1c20 s LEU 54 N -0.19 3.23 -0.29 2.54 2.96 -1.13 -4.77 118.68 121.03 1c20 s LEU 54 Ca 0.03 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 1c20 s LEU 54 Cb -0.07 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 1c20 s LEU 54 CO -0.00 -2.91 1.60 -0.62 -1.32 0.00 0.00 176.35 173.10 1c20 s ASP 55 N 10.09 6.26 0.65 3.68 -1.08 -1.26 -4.81 116.67 130.20 1c20 s ASP 55 Ca 0.83 1.36 0.28 0.00 -0.52 0.00 0.00 52.55 54.51 1c20 s ASP 55 Cb -0.13 -2.53 1.50 0.00 -1.46 0.00 0.00 42.92 40.30 1c20 s ASP 55 CO 0.17 -1.40 1.86 0.17 0.52 0.00 0.00 175.17 176.49 1c20 h LEU 56 N 12.25 0.00 -0.98 -1.34 -0.00 -2.00 0.19 115.31 123.43 1c20 h LEU 56 Ca -0.32 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.57 1c20 h LEU 56 Cb 1.14 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.76 1c20 h LEU 56 CO 1.03 0.00 0.64 0.22 -0.00 0.00 0.00 178.44 180.33 1c20 h TYR 57 N 0.00 1.23 -0.70 0.17 5.03 -2.00 -2.17 116.97 118.54 1c20 h TYR 57 Ca 0.03 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.38 1c20 h TYR 57 Cb 0.83 -0.42 -0.03 0.00 1.55 0.00 0.00 36.73 38.66 1c20 h TYR 57 CO 0.00 0.78 0.46 1.49 -1.32 0.00 0.00 178.16 179.57 1c20 h GLU 58 N 1.33 0.92 -0.06 1.82 4.57 -1.00 0.25 114.58 122.40 1c20 h GLU 58 Ca 0.36 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1c20 h GLU 58 Cb -0.15 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.23 1c20 h GLU 58 CO -0.08 0.61 0.04 1.25 -1.18 0.00 0.00 179.01 179.65 1c20 h LEU 59 N 0.95 0.06 -0.00 1.64 5.85 -1.51 -0.65 115.31 121.65 1c20 h LEU 59 Ca 0.26 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1c20 h LEU 59 Cb -0.11 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1c20 h LEU 59 CO -0.06 0.05 0.00 0.22 -0.34 0.00 0.00 178.44 178.31 1c20 h TYR 60 N 0.08 0.00 -0.47 1.25 3.20 -0.80 -1.58 116.97 118.66 1c20 h TYR 60 Ca 0.02 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1c20 h TYR 60 Cb -0.00 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1c20 h TYR 60 CO -0.08 0.00 0.31 -2.95 -1.64 0.00 0.00 178.16 173.80 1c20 h ASN 61 N 0.00 0.53 -1.01 -2.11 -1.07 -0.32 -2.28 115.58 109.32 1c20 h ASN 61 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 56.30 56.37 1c20 h ASN 61 Cb 0.00 -0.13 -0.05 0.00 -2.07 0.00 0.00 38.32 36.07 1c20 h ASN 61 CO -0.00 0.39 0.67 -0.07 0.07 0.00 0.00 177.43 178.48 1c20 h LEU 62 N 0.63 1.16 0.86 6.14 3.38 -0.97 -0.56 115.31 125.95 1c20 h LEU 62 Ca 0.17 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1c20 h LEU 62 Cb -0.07 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1c20 h LEU 62 CO -0.04 0.84 -0.45 0.58 0.09 0.00 0.00 178.44 179.46 1c20 h VAL 63 N 1.37 0.00 -0.99 1.22 2.07 -0.73 -2.75 116.25 116.43 1c20 h VAL 63 Ca 0.37 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.90 1c20 h VAL 63 Cb -0.16 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.56 1c20 h VAL 63 CO -0.08 0.00 0.65 0.40 0.02 0.00 0.00 177.57 178.56 1c20 h ILE 64 N -1.20 1.26 -0.02 4.57 2.04 -1.39 -0.74 117.51 122.03 1c20 h ILE 64 Ca -0.12 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.28 1c20 h ILE 64 Cb 0.93 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1c20 h ILE 64 CO 0.17 0.25 0.34 0.00 0.00 0.00 0.00 178.15 178.91 1c20 h ALA 65 N 1.36 1.38 0.00 1.87 0.00 -0.92 0.77 119.26 123.72 1c20 h ALA 65 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1c20 h ALA 65 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1c20 h ALA 65 CO -0.08 -0.35 -1.08 0.54 0.00 0.00 0.00 179.25 178.28 1c20 n ARG 66 N -2.94 0.24 0.00 0.00 1.74 -0.31 -4.95 116.66 110.44 1c20 n ARG 66 Ca -0.01 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1c20 n ARG 66 Cb 0.39 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1c20 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c20 n GLY 67 N 1.40 1.28 0.00 -0.13 0.00 0.27 -4.90 105.19 103.10 1c20 n GLY 67 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1c20 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c20 n GLY 68 N 0.00 4.07 0.38 -0.02 0.00 -1.05 -4.79 105.19 103.78 1c20 n GLY 68 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.77 1c20 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1c20 h LEU 69 N 0.00 1.09 -0.80 0.99 5.85 -1.96 -1.47 115.31 119.01 1c20 h LEU 69 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1c20 h LEU 69 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1c20 h LEU 69 CO 0.00 0.74 0.29 0.58 -0.34 0.00 0.00 178.44 179.71 1c20 h VAL 70 N 1.26 1.26 -0.81 1.05 2.07 -1.96 -2.06 116.25 117.07 1c20 h VAL 70 Ca 0.41 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1c20 h VAL 70 Cb 0.02 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1c20 h VAL 70 CO -0.13 0.34 0.33 0.44 0.02 0.00 0.00 177.57 178.57 1c20 h ASP 71 N 1.15 1.11 -0.21 0.57 3.32 -1.61 -0.52 116.42 120.23 1c20 h ASP 71 Ca 0.26 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1c20 h ASP 71 Cb 0.24 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1c20 h ASP 71 CO -0.02 0.97 0.14 0.58 -1.72 0.00 0.00 179.24 179.19 1c20 h VAL 72 N 1.17 1.07 -0.00 -1.35 2.07 -0.84 0.21 116.25 118.57 1c20 h VAL 72 Ca 0.27 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1c20 h VAL 72 Cb 0.21 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1c20 h VAL 72 CO -0.02 0.06 0.00 0.40 0.02 0.00 0.00 177.57 178.03 1c20 h ILE 73 N 0.28 1.21 -0.95 4.57 2.04 -1.07 1.19 117.51 124.78 1c20 h ILE 73 Ca 0.08 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1c20 h ILE 73 Cb -0.01 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1c20 h ILE 73 CO -0.02 0.16 0.63 -1.13 0.00 0.00 0.00 178.15 177.80 1c20 h ASN 74 N -0.26 1.09 0.02 1.72 -1.24 -1.00 -1.17 115.58 114.75 1c20 h ASN 74 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1c20 h ASN 74 Cb 0.27 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1c20 h ASN 74 CO 0.00 0.79 -0.04 0.29 -1.29 0.00 0.00 177.43 177.18 1c20 n LYS 75 N -4.42 1.56 -3.78 6.67 5.02 0.72 -4.95 118.16 118.99 1c20 n LYS 75 Ca 0.11 -0.93 -0.25 0.00 -2.02 0.00 0.00 58.31 55.22 1c20 n LYS 75 Cb 0.01 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 1c20 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1c20 n LYS 76 N 0.09 -3.35 -0.64 1.97 5.02 0.39 -4.84 118.16 116.80 1c20 n LYS 76 Ca 0.18 0.51 0.07 0.00 -2.02 0.00 0.00 58.31 57.04 1c20 n LYS 76 Cb 0.36 -4.70 0.32 0.00 -0.02 0.00 0.00 35.03 30.99 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c20 n LEU 77 N -4.27 4.54 0.27 -0.35 4.77 0.19 -4.32 117.00 117.84 1c20 n LEU 77 Ca -0.25 -2.30 0.18 0.00 -0.03 0.00 0.00 56.01 53.61 1c20 n LEU 77 Cb 0.66 -0.59 0.93 0.00 -2.33 0.00 0.00 43.42 42.09 1c20 n LEU 77 CO 0.70 0.63 1.15 -0.50 -1.33 0.00 0.00 177.39 178.05 1c20 h TRP 78 N 3.42 0.00 -1.00 -1.77 4.06 -1.89 -0.57 115.95 118.21 1c20 h TRP 78 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 1c20 h TRP 78 Cb 1.51 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.62 1c20 h TRP 78 CO 0.79 0.00 0.66 1.96 -3.56 0.00 0.00 178.44 178.29 1c20 h GLN 79 N 0.00 1.32 -0.13 0.49 7.50 -1.97 0.43 115.11 122.76 1c20 h GLN 79 Ca 0.04 -0.08 -0.00 0.00 0.50 0.00 0.00 58.65 59.11 1c20 h GLN 79 Cb 0.37 -0.30 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1c20 h GLN 79 CO -0.00 0.88 0.08 0.93 -1.50 0.00 0.00 178.83 179.22 1c20 h GLU 80 N 1.36 0.17 -0.19 1.46 5.08 -1.45 0.38 114.58 121.40 1c20 h GLU 80 Ca 0.37 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 1c20 h GLU 80 Cb -0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1c20 h GLU 80 CO -0.08 0.17 -0.18 0.82 -1.00 0.00 0.00 179.01 178.74 1c20 h ILE 81 N 0.13 1.33 -0.84 3.13 2.04 -1.51 -2.78 117.51 119.01 1c20 h ILE 81 Ca 0.05 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 1c20 h ILE 81 Cb 0.04 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1c20 h ILE 81 CO -0.01 0.41 0.39 0.40 0.00 0.00 0.00 178.15 179.33 1c20 h ILE 82 N 0.13 1.26 -1.00 -0.67 2.04 -0.03 -0.57 117.51 118.67 1c20 h ILE 82 Ca 0.03 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1c20 h ILE 82 Cb 0.72 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1c20 h ILE 82 CO 0.05 0.32 0.66 0.50 0.00 0.00 0.00 178.15 179.68 1c20 h LYS 83 N 1.21 1.32 -0.52 2.37 3.64 -0.19 -1.21 116.57 123.19 1c20 h LYS 83 Ca 0.29 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1c20 h LYS 83 Cb 0.15 -0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1c20 h LYS 83 CO -0.03 0.87 -0.13 0.78 -2.27 0.00 0.00 179.45 178.67 1c20 h GLY 84 N 1.36 1.08 -5.56 5.01 0.00 -1.11 -3.13 103.07 100.71 1c20 h GLY 84 Ca 0.37 -0.88 -0.73 0.00 0.00 0.00 0.00 47.33 46.09 1c20 h GLY 84 CO -0.08 0.80 1.35 1.04 0.00 0.00 0.00 176.54 179.65 1c20 n LEU 85 N -4.14 7.46 -4.37 3.11 7.99 -0.28 -5.02 117.00 121.75 1c20 n LEU 85 Ca 0.01 -4.93 -0.38 0.00 -0.01 0.00 0.00 56.01 50.70 1c20 n LEU 85 Cb 0.41 -1.22 0.03 0.00 -0.11 0.00 0.00 43.42 42.53 1c20 n LEU 85 CO 0.45 1.95 -0.26 1.41 -1.51 0.00 0.00 177.39 179.44 1c20 n HIS 86 N 0.53 -1.69 -2.47 -1.77 8.25 -0.97 -4.84 115.22 112.26 1c20 n HIS 86 Ca 0.53 0.45 -0.43 0.00 -0.26 0.00 0.00 57.72 58.01 1c20 n HIS 86 Cb 0.30 -1.83 -0.02 0.00 1.12 0.00 0.00 29.99 29.55 1c20 n HIS 86 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1c20 s LEU 87 N 2.67 4.15 0.06 2.41 1.02 -1.26 -4.95 118.68 122.78 1c20 s LEU 87 Ca 0.63 1.60 -0.31 0.00 0.02 0.00 0.00 54.13 56.08 1c20 s LEU 87 Cb -0.47 -3.54 -0.18 0.00 0.02 0.00 0.00 46.19 42.02 1c20 s LEU 87 CO 0.60 -0.76 1.53 1.55 0.02 0.00 0.00 176.35 179.28 1c20 h PRO 88 N 8.11 -0.75 0.00 1.29 0.14 -1.88 -3.47 132.00 135.44 1c20 h PRO 88 Ca -0.25 0.05 0.00 0.00 0.14 0.00 0.00 66.00 65.94 1c20 h PRO 88 Cb 1.09 0.17 0.00 0.00 0.14 0.00 0.00 31.00 32.40 1c20 h PRO 88 CO 0.98 -0.47 0.00 0.45 0.14 0.00 0.00 178.00 179.10 1c20 n SER 89 N -5.39 0.00 -0.00 1.44 2.88 -1.26 -4.99 113.62 106.30 1c20 n SER 89 Ca -0.12 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.43 1c20 n SER 89 Cb 0.33 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1c20 n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1c20 n SER 90 N 0.00 3.81 -4.42 -3.46 7.64 -1.26 -4.95 113.62 110.97 1c20 n SER 90 Ca 0.00 -0.08 -0.38 0.00 1.01 0.00 0.00 58.87 59.42 1c20 n SER 90 Cb 0.00 1.10 -0.12 0.00 -1.01 0.00 0.00 64.21 64.18 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1c20 s ILE 91 N -2.04 4.45 0.00 0.44 1.01 -1.26 -5.08 121.20 118.72 1c20 s ILE 91 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1c20 s ILE 91 Cb 0.02 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1c20 s ILE 91 CO 0.10 0.08 0.00 0.35 0.00 0.00 0.00 174.94 175.48 1c20 n THR 92 N 4.95 0.00 -0.61 2.92 -2.24 -1.26 -4.60 114.28 113.44 1c20 n THR 92 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1c20 n THR 92 Cb 0.49 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1c20 n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c20 n SER 93 N -2.74 0.00 0.31 3.42 2.88 -1.26 -4.58 113.62 111.65 1c20 n SER 93 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1c20 n SER 93 Cb 0.00 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.27 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c20 h ALA 94 N 0.51 1.41 0.30 -1.46 0.00 -1.97 -1.53 119.26 116.53 1c20 h ALA 94 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c20 h ALA 94 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1c20 h ALA 94 CO 0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 179.25 178.49 1c20 h ALA 95 N 1.36 -0.81 -0.84 0.00 0.00 -1.96 1.32 119.26 118.33 1c20 h ALA 95 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1c20 h ALA 95 Cb 0.70 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1c20 h ALA 95 CO -0.00 -1.00 0.56 0.35 0.00 0.00 0.00 179.25 179.16 1c20 h PHE 96 N -0.75 1.06 -0.57 0.00 3.57 -1.64 -1.83 116.94 116.77 1c20 h PHE 96 Ca -0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1c20 h PHE 96 Cb 0.70 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1c20 h PHE 96 CO -0.26 0.66 -0.06 1.15 -2.23 0.00 0.00 178.31 177.57 1c20 h THR 97 N 1.14 1.27 0.05 4.41 2.02 -1.28 -2.83 112.91 117.70 1c20 h THR 97 Ca 0.31 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1c20 h THR 97 Cb -0.13 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1c20 h THR 97 CO -0.07 0.44 -0.03 -0.07 0.37 0.00 0.00 175.52 176.17 1c20 h LEU 98 N 0.95 -0.06 -1.00 2.58 3.38 0.22 -2.43 115.31 118.95 1c20 h LEU 98 Ca 0.16 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1c20 h LEU 98 Cb 0.63 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1c20 h LEU 98 CO 0.04 0.23 0.66 0.08 0.09 0.00 0.00 178.44 179.54 1c20 h ARG 99 N -0.35 1.31 -0.15 1.13 0.11 -1.37 -1.53 114.38 113.52 1c20 h ARG 99 Ca -0.01 -0.08 -0.11 0.00 0.10 0.00 0.00 59.98 59.88 1c20 h ARG 99 Cb 0.31 -0.29 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1c20 h ARG 99 CO 0.01 0.86 -0.34 0.00 0.10 0.00 0.00 179.97 180.61 1c20 h THR 100 N 1.35 1.36 -0.74 0.08 1.03 -1.50 -1.17 112.91 113.31 1c20 h THR 100 Ca 0.37 -1.61 -0.00 0.00 -0.01 0.00 0.00 66.41 65.16 1c20 h THR 100 Cb -0.15 2.01 -0.04 0.00 -1.07 0.00 0.00 68.15 68.91 1c20 h THR 100 CO -0.08 0.48 0.46 1.56 -0.01 0.00 0.00 175.52 177.94 1c20 h GLN 101 N 0.11 1.00 -0.18 0.00 4.20 -1.32 0.39 115.11 119.31 1c20 h GLN 101 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1c20 h GLN 101 Cb 0.94 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1c20 h GLN 101 CO 0.07 0.69 0.12 -0.92 -0.67 0.00 0.00 178.83 178.12 1c20 h TYR 102 N 1.01 0.22 0.00 2.96 5.03 -1.24 -1.61 116.97 123.35 1c20 h TYR 102 Ca 0.27 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.55 1c20 h TYR 102 Cb -0.06 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1c20 h TYR 102 CO -0.01 0.14 -0.17 1.98 -1.32 0.00 0.00 178.16 178.78 1c20 h MET 103 N 0.24 0.00 -0.62 1.82 4.05 -0.43 0.79 114.93 120.78 1c20 h MET 103 Ca 0.06 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1c20 h MET 103 Cb -0.03 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 1c20 h MET 103 CO -0.01 0.17 0.41 -0.22 0.23 0.00 0.00 176.91 177.49 1c20 h LYS 104 N 0.00 0.82 0.00 0.39 1.63 0.77 -3.38 116.57 116.80 1c20 h LYS 104 Ca -0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1c20 h LYS 104 Cb 0.32 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1c20 h LYS 104 CO 0.02 0.54 0.00 0.66 -3.45 0.00 0.00 179.45 177.23 1c20 n TYR 105 N -4.65 0.00 -0.02 1.91 4.01 -1.13 -4.90 117.16 112.37 1c20 n TYR 105 Ca 0.05 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1c20 n TYR 105 Cb 0.02 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.89 1c20 n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c20 n LEU 106 N 0.00 0.00 -0.05 7.72 4.77 0.26 -3.86 117.00 125.84 1c20 n LEU 106 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1c20 n LEU 106 Cb 0.03 0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1c20 n LEU 106 CO 0.00 0.09 0.53 0.22 -1.33 0.00 0.00 177.39 176.89 1c20 h TYR 107 N 0.00 0.89 0.04 -1.77 3.20 -1.27 0.15 116.97 118.21 1c20 h TYR 107 Ca -0.09 -0.29 -0.27 0.00 3.14 0.00 0.00 58.73 61.22 1c20 h TYR 107 Cb 1.18 -0.18 0.02 0.00 1.54 0.00 0.00 36.73 39.29 1c20 h TYR 107 CO 0.00 1.05 -1.10 -1.00 -1.64 0.00 0.00 178.16 175.47 1c20 h PRO 108 N 0.59 0.64 -0.45 1.82 0.14 -1.83 -2.93 132.00 129.97 1c20 h PRO 108 Ca 0.04 -0.74 -0.09 0.00 0.14 0.00 0.00 66.00 65.34 1c20 h PRO 108 Cb 1.02 0.22 -0.01 0.00 0.14 0.00 0.00 31.00 32.36 1c20 h PRO 108 CO 0.10 1.32 -0.08 -0.92 0.14 0.00 0.00 178.00 178.56 1c20 h TYR 109 N 0.33 0.94 -0.76 1.56 3.20 -1.66 -2.58 116.97 118.01 1c20 h TYR 109 Ca -0.14 -0.19 0.03 0.00 3.14 0.00 0.00 58.73 61.56 1c20 h TYR 109 Cb 1.76 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.75 1c20 h TYR 109 CO 0.10 0.93 0.48 1.49 -1.64 0.00 0.00 178.16 179.53 1c20 h GLU 110 N 0.68 0.92 -0.85 1.82 4.81 -0.74 -2.15 114.58 119.07 1c20 h GLU 110 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1c20 h GLU 110 Cb 0.61 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1c20 h GLU 110 CO 0.04 0.61 0.40 0.00 -0.73 0.00 0.00 179.01 179.32 1c20 h GLU 112 N 1.21 1.02 0.00 0.00 4.81 -1.01 2.66 114.58 123.28 1c20 h GLU 112 Ca 0.29 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1c20 h GLU 112 Cb 0.13 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1c20 h GLU 112 CO -0.03 0.99 -0.00 0.87 -0.73 0.00 0.00 179.01 180.10 1c20 h LYS 113 N 0.92 -0.00 0.00 1.92 1.79 -1.20 -3.38 116.57 116.62 1c20 h LYS 113 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1c20 h LYS 113 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1c20 h LYS 113 CO 0.02 0.22 0.00 1.63 -1.08 0.00 0.00 179.45 180.25 1c20 n LYS 114 N -4.98 0.11 -3.80 3.15 5.02 -0.97 -5.02 118.16 111.67 1c20 n LYS 114 Ca -0.08 -0.23 -0.24 0.00 -2.02 0.00 0.00 58.31 55.74 1c20 n LYS 114 Cb 0.13 -0.69 0.01 0.00 -0.02 0.00 0.00 35.03 34.46 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c20 n ASN 115 N -0.08 -1.31 -0.38 4.39 2.85 0.89 -4.83 115.26 116.79 1c20 n ASN 115 Ca 0.00 -0.92 -0.02 0.00 -0.11 0.00 0.00 54.58 53.53 1c20 n ASN 115 Cb 0.10 -3.56 0.11 0.00 1.24 0.00 0.00 39.78 37.66 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c20 h LEU 116 N -1.84 1.15 -8.22 1.20 3.38 -1.77 -3.46 115.31 105.74 1c20 h LEU 116 Ca -0.63 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.19 1c20 h LEU 116 Cb 1.37 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1c20 h LEU 116 CO 0.58 0.83 0.08 -0.44 0.09 0.00 0.00 178.44 179.58 1c20 s SER 117 N -6.11 0.39 0.08 -0.43 0.01 -1.26 -5.06 113.70 101.32 1c20 s SER 117 Ca -0.13 -1.29 0.01 0.00 1.31 0.00 0.00 55.95 55.85 1c20 s SER 117 Cb 0.18 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 67.15 1c20 s SER 117 CO 0.82 -1.53 -0.06 0.42 0.41 0.00 0.00 173.24 173.29 1c20 s THR 118 N -2.61 0.56 0.61 1.44 -4.23 -1.26 -4.91 115.64 105.25 1c20 s THR 118 Ca 0.22 -1.68 0.25 0.00 -1.18 0.00 0.00 61.69 59.30 1c20 s THR 118 Cb -0.03 -1.36 0.34 0.00 1.34 0.00 0.00 72.50 72.79 1c20 s THR 118 CO 0.15 -0.77 1.52 -0.65 -0.54 0.00 0.00 174.62 174.34 1c20 h PRO 119 N 3.41 0.00 0.63 3.99 0.10 -2.02 -0.62 132.00 137.49 1c20 h PRO 119 Ca -0.35 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.72 1c20 h PRO 119 Cb 1.17 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.28 1c20 h PRO 119 CO 0.58 0.00 -0.30 0.00 0.10 0.00 0.00 178.00 178.38 1c20 h ALA 120 N 0.85 -0.85 0.00 -0.75 0.00 -2.00 -2.48 119.26 114.02 1c20 h ALA 120 Ca 0.31 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1c20 h ALA 120 Cb 2.07 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 20.17 1c20 h ALA 120 CO -0.00 -0.79 -0.57 1.05 0.00 0.00 0.00 179.25 178.94 1c20 h GLU 121 N -1.22 0.00 -0.57 0.00 9.09 -1.69 -3.01 114.58 117.17 1c20 h GLU 121 Ca -0.09 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.33 1c20 h GLU 121 Cb 0.65 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.72 1c20 h GLU 121 CO 0.14 0.57 0.38 1.25 0.05 0.00 0.00 179.01 181.40 1c20 h LEU 122 N 0.00 0.66 -1.01 3.06 5.85 -1.20 -0.09 115.31 122.58 1c20 h LEU 122 Ca -0.01 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 122 Cb 1.02 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1c20 h LEU 122 CO 0.07 0.48 0.67 1.56 -0.34 0.00 0.00 178.44 180.88 1c20 h GLN 123 N 0.78 1.33 -0.92 1.25 1.08 -1.32 0.14 115.11 117.45 1c20 h GLN 123 Ca 0.21 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1c20 h GLN 123 Cb -0.09 -0.30 -0.05 0.00 -0.05 0.00 0.00 27.48 27.00 1c20 h GLN 123 CO -0.05 0.88 0.61 0.00 -0.95 0.00 0.00 178.83 179.32 1c20 h ALA 124 N 1.37 1.35 -0.08 3.87 0.00 -1.12 1.92 119.26 126.57 1c20 h ALA 124 Ca 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1c20 h ALA 124 Cb -0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.26 1c20 h ALA 124 CO -0.08 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.77 1c20 h ALA 125 N 1.43 0.11 -0.34 0.00 0.00 0.77 0.27 119.26 121.49 1c20 h ALA 125 Ca 0.34 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1c20 h ALA 125 Cb -0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1c20 h ALA 125 CO -0.07 -0.21 -0.38 0.82 0.00 0.00 0.00 179.25 179.40 1c20 h ILE 126 N -0.15 1.28 -0.87 0.00 2.04 -0.24 -2.98 117.51 116.60 1c20 h ILE 126 Ca 0.02 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 1c20 h ILE 126 Cb 0.35 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1c20 h ILE 126 CO 0.00 0.51 0.44 -0.78 0.00 0.00 0.00 178.15 178.33 1c20 h ASP 127 N 0.66 1.12 -1.00 1.72 1.82 0.31 -2.19 116.42 118.86 1c20 h ASP 127 Ca 0.05 -0.12 0.08 0.00 -0.39 0.00 0.00 57.03 56.65 1c20 h ASP 127 Cb 0.98 -0.29 -0.07 0.00 0.68 0.00 0.00 39.33 40.63 1c20 h ASP 127 CO 0.09 0.93 0.64 1.23 -1.61 0.00 0.00 179.24 180.53 1c20 h GLY 128 N 1.24 1.56 -7.31 -0.78 0.00 -0.32 -3.37 103.07 94.08 1c20 h GLY 128 Ca 0.30 -0.46 -0.55 0.00 0.00 0.00 0.00 47.33 46.62 1c20 h GLY 128 CO -0.04 0.29 -0.77 0.21 0.00 0.00 0.00 176.54 176.23 1c20 s ASN 129 N -5.85 3.42 0.00 0.19 2.47 -0.83 -5.10 114.94 109.24 1c20 s ASN 129 Ca -0.12 -1.13 0.26 0.00 0.42 0.00 0.00 52.86 52.29 1c20 s ASN 129 Cb 0.21 -0.79 0.66 0.00 -1.45 0.00 0.00 41.25 39.88 1c20 s ASN 129 CO 0.81 -0.32 1.53 0.54 -3.72 0.00 0.00 177.10 175.93