#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 3.28 0.14 1.61 -0.11 -1.26 -5.04 118.94 117.55 1c20 s TRP 4 Ca 0.00 0.75 -0.27 0.00 1.22 0.00 0.00 56.10 57.80 1c20 s TRP 4 Cb 0.00 -2.80 -0.07 0.00 -1.50 0.00 0.00 33.47 29.10 1c20 s TRP 4 CO 0.00 -0.31 0.82 -1.54 -4.62 0.00 0.00 176.95 171.30 1c20 s SER 5 N 1.50 7.40 0.38 5.86 1.04 -1.26 -4.94 113.70 123.68 1c20 s SER 5 Ca 0.24 1.66 0.17 0.00 0.48 0.00 0.00 55.95 58.51 1c20 s SER 5 Cb -0.16 -2.52 0.76 0.00 0.10 0.00 0.00 66.02 64.21 1c20 s SER 5 CO 0.09 0.11 1.79 2.19 0.98 0.00 0.00 173.24 178.40 1c20 h PHE 6 N 4.83 0.00 -0.14 5.02 -0.00 -2.00 -2.45 116.94 122.20 1c20 h PHE 6 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.51 1c20 h PHE 6 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 1c20 h PHE 6 CO 0.64 0.37 0.04 0.93 -0.00 0.00 0.00 178.31 180.29 1c20 h GLU 7 N 0.00 0.19 -0.87 6.09 5.08 -2.01 -0.20 114.58 122.87 1c20 h GLU 7 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1c20 h GLU 7 Cb 0.78 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1c20 h GLU 7 CO 0.05 0.18 0.55 1.49 -1.00 0.00 0.00 179.01 180.27 1c20 h GLU 8 N 0.20 1.16 0.00 2.33 4.81 -1.84 0.30 114.58 121.54 1c20 h GLU 8 Ca 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1c20 h GLU 8 Cb 0.07 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1c20 h GLU 8 CO -0.00 0.79 0.00 1.96 -0.73 0.00 0.00 179.01 181.02 1c20 h GLN 9 N 1.18 0.00 0.55 1.92 4.20 -1.12 -2.92 115.11 118.92 1c20 h GLN 9 Ca 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 1c20 h GLN 9 Cb -0.09 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1c20 h GLN 9 CO -0.06 0.00 -0.26 0.35 -0.67 0.00 0.00 178.83 178.18 1c20 h PHE 10 N 0.00 -0.68 0.00 2.96 3.04 -0.18 -2.67 116.94 119.42 1c20 h PHE 10 Ca 0.00 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1c20 h PHE 10 Cb 0.29 0.22 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 1c20 h PHE 10 CO 0.00 -0.35 -0.00 1.57 -2.02 0.00 0.00 178.31 177.51 1c20 h LYS 11 N -0.97 0.00 0.00 1.11 2.10 -1.45 0.19 116.57 117.55 1c20 h LYS 11 Ca -0.07 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1c20 h LYS 11 Cb 0.63 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1c20 h LYS 11 CO 0.12 0.00 -0.12 1.96 -2.00 0.00 0.00 179.45 179.42 1c20 h GLN 12 N 0.00 0.00 -0.47 0.07 4.20 -1.31 -1.84 115.11 115.77 1c20 h GLN 12 Ca -0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1c20 h GLN 12 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1c20 h GLN 12 CO 0.00 0.12 -0.25 0.28 -0.67 0.00 0.00 178.83 178.31 1c20 h VAL 13 N 0.00 1.27 -0.52 -0.54 2.07 -0.29 -2.89 116.25 115.35 1c20 h VAL 13 Ca -0.00 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.13 1c20 h VAL 13 Cb 0.24 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1c20 h VAL 13 CO 0.02 0.49 0.29 0.03 0.02 0.00 0.00 177.57 178.41 1c20 h ARG 14 N 0.85 0.54 0.00 1.57 3.08 -1.32 -0.27 114.38 118.84 1c20 h ARG 14 Ca 0.10 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1c20 h ARG 14 Cb 0.84 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1c20 h ARG 14 CO 0.07 0.36 -0.08 -0.56 -1.07 0.00 0.00 179.97 178.70 1c20 h GLN 15 N 0.56 0.00 -0.03 0.04 3.07 -1.44 -1.75 115.11 115.56 1c20 h GLN 15 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.96 1c20 h GLN 15 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.65 1c20 h GLN 15 CO -0.13 0.08 0.01 -0.07 0.09 0.00 0.00 178.83 178.80 1c20 h LEU 16 N 0.00 0.04 -0.95 0.06 -0.00 -0.84 -2.84 115.31 110.79 1c20 h LEU 16 Ca -0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1c20 h LEU 16 Cb 0.18 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 40.79 1c20 h LEU 16 CO 0.01 0.26 0.56 1.88 -0.00 0.00 0.00 178.44 181.15 1c20 h TYR 17 N -0.18 1.26 0.00 1.13 -1.99 -1.17 -1.60 116.97 114.42 1c20 h TYR 17 Ca 0.01 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1c20 h TYR 17 Cb 0.23 -0.41 0.00 0.00 2.00 0.00 0.00 36.73 38.55 1c20 h TYR 17 CO 0.00 0.84 0.00 0.39 -0.00 0.00 0.00 178.16 179.39 1c20 n GLU 18 N -4.35 0.10 -0.32 4.88 -0.58 -0.71 -2.48 120.64 117.17 1c20 n GLU 18 Ca 0.11 0.52 0.08 0.00 -0.42 0.00 0.00 57.16 57.45 1c20 n GLU 18 Cb 0.07 -1.77 0.25 0.00 -0.57 0.00 0.00 31.44 29.41 1c20 n GLU 18 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c20 h ILE 19 N 0.00 0.77 -1.94 -3.67 2.04 -1.07 -3.44 117.51 110.20 1c20 h ILE 19 Ca 0.00 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.69 1c20 h ILE 19 Cb 0.09 -0.04 -0.19 0.00 -0.74 0.00 0.00 36.82 35.94 1c20 h ILE 19 CO 0.00 0.14 0.49 0.20 0.00 0.00 0.00 178.15 178.98 1c20 s ASN 20 N -5.49 -0.39 -0.22 1.72 0.01 -1.04 -5.01 114.94 104.52 1c20 s ASN 20 Ca -0.12 0.23 0.06 0.00 -0.71 0.00 0.00 52.86 52.32 1c20 s ASN 20 Cb 0.22 0.36 0.50 0.00 0.41 0.00 0.00 41.25 42.74 1c20 s ASN 20 CO 0.79 -0.50 1.47 -0.67 -1.51 0.00 0.00 177.10 176.68 1c20 n ASP 21 N 0.27 3.86 -4.70 -1.22 -0.08 -1.26 -4.80 116.55 108.61 1c20 n ASP 21 Ca -0.10 -2.83 -0.43 0.00 -1.51 0.00 0.00 54.79 49.91 1c20 n ASP 21 Cb 0.60 -0.67 -0.03 0.00 2.34 0.00 0.00 41.12 43.35 1c20 n ASP 21 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1c20 n ASP 22 N -0.06 3.71 -0.18 1.67 9.92 -1.26 -4.88 116.55 125.47 1c20 n ASP 22 Ca 0.29 1.06 -0.06 0.00 -0.53 0.00 0.00 54.79 55.55 1c20 n ASP 22 Cb 1.07 -1.52 0.03 0.00 -0.64 0.00 0.00 41.12 40.06 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1c20 h PRO 23 N 6.66 0.67 0.01 -0.24 0.13 -1.99 -1.22 132.00 136.01 1c20 h PRO 23 Ca -0.44 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1c20 h PRO 23 Cb 1.22 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1c20 h PRO 23 CO 0.94 0.44 -0.00 -0.22 -0.23 0.00 0.00 178.00 178.92 1c20 h LYS 24 N 0.69 -0.01 -0.23 0.86 3.64 -1.98 0.38 116.57 119.92 1c20 h LYS 24 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1c20 h LYS 24 Cb -0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1c20 h LYS 24 CO -0.07 -0.00 0.15 -0.09 -2.27 0.00 0.00 179.45 177.17 1c20 h ARG 25 N -0.01 0.31 -0.17 1.90 2.43 -1.91 0.35 114.38 117.27 1c20 h ARG 25 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1c20 h ARG 25 Cb 0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1c20 h ARG 25 CO 0.00 0.20 0.11 -0.22 -1.51 0.00 0.00 179.97 178.56 1c20 h LYS 26 N 0.32 0.23 -0.64 0.20 3.64 -0.96 -0.91 116.57 118.45 1c20 h LYS 26 Ca 0.09 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1c20 h LYS 26 Cb -0.04 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1c20 h LYS 26 CO -0.02 0.15 0.32 1.49 -2.27 0.00 0.00 179.45 179.12 1c20 h GLU 27 N 0.23 0.91 -0.00 1.90 4.81 0.09 -2.01 114.58 120.51 1c20 h GLU 27 Ca 0.06 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1c20 h GLU 27 Cb -0.03 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1c20 h GLU 27 CO -0.01 0.72 0.00 0.35 -0.73 0.00 0.00 179.01 179.34 1c20 h PHE 28 N 0.88 0.01 -0.48 0.92 3.04 0.10 -1.15 116.94 120.25 1c20 h PHE 28 Ca 0.22 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.18 1c20 h PHE 28 Cb 0.10 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1c20 h PHE 28 CO -0.00 0.01 0.32 -0.07 -2.02 0.00 0.00 178.31 176.55 1c20 h LEU 29 N -0.00 0.55 -1.00 0.59 3.38 -1.02 0.18 115.31 117.99 1c20 h LEU 29 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1c20 h LEU 29 Cb 0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1c20 h LEU 29 CO -0.00 0.40 0.66 -0.78 0.09 0.00 0.00 178.44 178.81 1c20 h ASP 30 N 0.65 1.15 0.02 -0.43 1.82 -1.17 0.20 116.42 118.67 1c20 h ASP 30 Ca 0.18 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1c20 h ASP 30 Cb -0.07 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 39.65 1c20 h ASP 30 CO -0.04 0.83 -0.01 0.44 -1.61 0.00 0.00 179.24 178.85 1c20 h ASP 31 N 1.36 -0.03 -0.01 2.28 3.32 -0.46 -0.45 116.42 122.43 1c20 h ASP 31 Ca 0.37 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1c20 h ASP 31 Cb -0.15 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1c20 h ASP 31 CO -0.08 0.51 0.01 0.25 -1.72 0.00 0.00 179.24 178.21 1c20 h LEU 32 N -0.58 0.01 -1.16 1.55 5.85 -0.47 -1.50 115.31 119.02 1c20 h LEU 32 Ca -0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1c20 h LEU 32 Cb 0.54 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1c20 h LEU 32 CO 0.01 0.01 0.58 -0.26 -0.34 0.00 0.00 178.44 178.44 1c20 h PHE 33 N 0.01 1.07 -0.05 1.25 0.04 -0.66 -2.72 116.94 115.87 1c20 h PHE 33 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1c20 h PHE 33 Cb 0.00 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.79 1c20 h PHE 33 CO -0.08 0.63 0.03 0.77 -0.60 0.00 0.00 178.31 179.07 1c20 h SER 34 N 1.12 0.06 0.28 2.17 0.02 -0.25 0.13 113.55 117.08 1c20 h SER 34 Ca 0.34 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1c20 h SER 34 Cb -0.02 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1c20 h SER 34 CO -0.09 0.04 -0.14 0.15 -1.14 0.00 0.00 176.83 175.65 1c20 h PHE 35 N 0.07 -0.35 0.00 3.45 3.04 -1.01 -1.79 116.94 120.35 1c20 h PHE 35 Ca 0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1c20 h PHE 35 Cb -0.01 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1c20 h PHE 35 CO -0.08 -0.21 0.00 0.00 -2.02 0.00 0.00 178.31 176.00 1c20 n MET 36 N -5.25 0.08 0.06 1.11 0.00 -1.07 -3.11 117.12 108.94 1c20 n MET 36 Ca -0.10 0.33 0.03 0.00 0.00 0.00 0.00 57.70 57.97 1c20 n MET 36 Cb 0.17 -1.65 0.17 0.00 0.00 0.00 0.00 33.22 31.91 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 -1.80 0.04 -0.20 3.17 0.00 0.46 -2.03 117.38 117.02 1c20 n GLN 37 Ca 0.03 0.47 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 1c20 n GLN 37 Cb 0.18 -1.77 0.11 0.00 0.00 0.00 0.00 30.24 28.76 1c20 n GLN 37 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1c20 h LYS 38 N 0.00 0.27 -0.38 3.69 3.64 -1.72 0.25 116.57 122.32 1c20 h LYS 38 Ca 0.00 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1c20 h LYS 38 Cb 0.26 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1c20 h LYS 38 CO 0.00 0.18 -0.36 0.00 -2.27 0.00 0.00 179.45 177.00 1c20 h ARG 39 N 0.28 0.89 0.00 1.90 2.47 -1.73 -3.47 114.38 114.72 1c20 h ARG 39 Ca 0.31 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1c20 h ARG 39 Cb 0.45 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1c20 h ARG 39 CO -0.39 1.10 0.00 0.41 0.56 0.00 0.00 179.97 181.65 1c20 n GLY 40 N 0.07 0.31 3.63 0.04 0.00 0.86 -5.08 105.19 105.02 1c20 n GLY 40 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 3.59 0.00 2.61 -4.23 -1.26 -5.00 115.64 109.34 1c20 s THR 41 Ca 0.00 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1c20 s THR 41 Cb 0.00 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1c20 s THR 41 CO 0.00 0.01 0.00 -0.81 -0.54 0.00 0.00 174.62 173.28 1c20 n PRO 42 N 0.30 2.04 0.00 3.99 -0.04 -1.26 -4.78 135.00 135.25 1c20 n PRO 42 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1c20 n PRO 42 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.39 0.00 -0.07 0.52 0.13 -1.26 -4.98 119.36 113.31 1c20 n ILE 43 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 1c20 n ILE 43 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 38.73 1c20 n ILE 43 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1c20 h ASN 44 N 0.00 0.00 -4.89 9.51 -0.73 -1.94 -3.49 115.58 114.04 1c20 h ASN 44 Ca 0.00 -0.49 -0.08 0.00 1.87 0.00 0.00 56.30 57.60 1c20 h ASN 44 Cb 0.00 0.00 -0.20 0.00 0.27 0.00 0.00 38.32 38.39 1c20 h ASN 44 CO 0.00 0.90 0.06 -0.60 -0.37 0.00 0.00 177.43 177.42 1c20 s ARG 45 N -2.04 0.93 -0.50 6.67 3.52 -1.26 -5.08 118.95 121.19 1c20 s ARG 45 Ca -0.14 0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 1c20 s ARG 45 Cb 0.00 0.43 0.17 0.00 -1.56 0.00 0.00 34.95 33.99 1c20 s ARG 45 CO 0.41 -0.27 0.39 -0.51 -0.81 0.00 0.00 175.30 174.51 1c20 s LEU 46 N -1.07 2.45 1.29 -0.88 1.43 -1.26 -5.08 118.68 115.56 1c20 s LEU 46 Ca -0.11 -3.32 -0.21 0.00 -1.03 0.00 0.00 54.13 49.47 1c20 s LEU 46 Cb -0.02 -0.80 0.32 0.00 0.03 0.00 0.00 46.19 45.72 1c20 s LEU 46 CO 0.08 -0.14 1.06 -2.84 0.23 0.00 0.00 176.35 174.73 1c20 s PRO 47 N -0.41 -1.93 -0.16 1.29 0.02 -1.26 -4.86 135.00 127.69 1c20 s PRO 47 Ca 0.31 -0.08 -0.04 0.00 0.02 0.00 0.00 61.00 61.20 1c20 s PRO 47 Cb 0.01 -1.51 -0.03 0.00 0.02 0.00 0.00 34.50 32.99 1c20 s PRO 47 CO -0.19 -4.17 -0.03 0.42 -0.33 0.00 0.00 177.00 172.70 1c20 s ILE 48 N -2.80 3.96 -0.20 2.83 -1.09 -1.26 -3.07 121.20 119.57 1c20 s ILE 48 Ca 0.71 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.71 1c20 s ILE 48 Cb -0.09 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1c20 s ILE 48 CO 0.56 0.49 0.10 0.00 -1.23 0.00 0.00 174.94 174.86 1c20 s MET 49 N 0.39 4.05 0.00 2.79 0.23 0.05 -4.88 119.30 121.93 1c20 s MET 49 Ca -0.03 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.33 1c20 s MET 49 Cb -0.14 -3.35 0.00 0.00 -1.53 0.00 0.00 34.83 29.81 1c20 s MET 49 CO 0.03 0.22 0.00 0.00 -2.03 0.00 0.00 175.02 173.24 1c20 n ALA 50 N 3.72 0.00 0.00 3.16 0.00 -1.26 0.27 120.51 126.40 1c20 n ALA 50 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1c20 n ALA 50 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1c20 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c20 n LYS 51 N 0.00 0.54 -0.65 0.00 4.76 -1.26 -5.05 118.16 116.50 1c20 n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1c20 n LYS 51 Cb 0.00 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1c20 n SER 52 N -1.51 0.00 -4.39 4.39 3.41 0.14 -5.13 113.62 110.54 1c20 n SER 52 Ca 0.00 -0.66 -0.29 0.00 -0.26 0.00 0.00 58.87 57.66 1c20 n SER 52 Cb 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 1c20 n SER 52 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1c20 s VAL 53 N 1.31 2.26 -0.43 -3.33 1.01 -1.26 -0.77 120.40 119.18 1c20 s VAL 53 Ca 0.00 -1.75 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 1c20 s VAL 53 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 1c20 s VAL 53 CO 0.00 0.10 2.31 -0.22 0.00 0.00 0.00 175.10 177.29 1c20 s LEU 54 N -2.03 3.41 -0.54 3.92 2.96 -1.17 -4.74 118.68 120.48 1c20 s LEU 54 Ca 0.14 1.22 -0.27 0.00 -0.22 0.00 0.00 54.13 55.00 1c20 s LEU 54 Cb -0.10 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 1c20 s LEU 54 CO 0.06 -2.60 1.85 -0.62 -1.32 0.00 0.00 176.35 173.71 1c20 s ASP 55 N 10.84 5.40 0.62 3.68 -1.08 -1.26 -4.81 116.67 130.06 1c20 s ASP 55 Ca 0.95 0.57 0.33 0.00 -0.52 0.00 0.00 52.55 53.88 1c20 s ASP 55 Cb -0.20 -2.53 1.88 0.00 -1.46 0.00 0.00 42.92 40.60 1c20 s ASP 55 CO 0.28 -2.23 2.18 0.17 0.52 0.00 0.00 175.17 176.09 1c20 h LEU 56 N 15.84 0.00 -0.95 -1.34 8.10 -1.98 -1.88 115.31 133.10 1c20 h LEU 56 Ca -0.27 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.73 1c20 h LEU 56 Cb 1.16 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.34 1c20 h LEU 56 CO 1.17 0.00 0.63 0.22 -4.11 0.00 0.00 178.44 176.35 1c20 h TYR 57 N 0.00 1.19 -0.15 0.17 5.03 -2.00 -2.30 116.97 118.91 1c20 h TYR 57 Ca 0.04 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 1c20 h TYR 57 Cb 0.29 -0.40 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1c20 h TYR 57 CO 0.00 0.75 -0.15 1.05 -1.32 0.00 0.00 178.16 178.49 1c20 h GLU 58 N 1.28 0.24 -0.01 1.82 4.11 -1.74 -1.72 114.58 118.57 1c20 h GLU 58 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1c20 h GLU 58 Cb -0.15 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1c20 h GLU 58 CO -0.08 0.40 0.00 1.25 0.07 0.00 0.00 179.01 180.66 1c20 h LEU 59 N 0.23 0.01 0.00 3.06 5.85 -1.53 -0.40 115.31 122.54 1c20 h LEU 59 Ca 0.04 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1c20 h LEU 59 Cb 0.41 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1c20 h LEU 59 CO 0.03 0.00 -0.00 0.22 -0.34 0.00 0.00 178.44 178.35 1c20 h TYR 60 N 0.01 -0.01 -1.01 1.25 3.20 -1.40 -0.16 116.97 118.86 1c20 h TYR 60 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1c20 h TYR 60 Cb -0.00 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1c20 h TYR 60 CO -0.08 0.12 0.66 -2.95 -1.64 0.00 0.00 178.16 174.27 1c20 h ASN 61 N -0.13 1.13 -0.60 -2.11 -1.07 -1.20 -0.96 115.58 110.63 1c20 h ASN 61 Ca -0.00 -0.02 -0.10 0.00 0.07 0.00 0.00 56.30 56.25 1c20 h ASN 61 Cb 0.13 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 36.09 1c20 h ASN 61 CO 0.00 0.79 -0.02 -0.07 0.07 0.00 0.00 177.43 178.20 1c20 h LEU 62 N 1.32 1.06 0.27 6.14 3.38 -0.86 -0.07 115.31 126.54 1c20 h LEU 62 Ca 0.39 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1c20 h LEU 62 Cb -0.07 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.39 1c20 h LEU 62 CO -0.11 1.12 -0.13 0.58 0.09 0.00 0.00 178.44 180.00 1c20 h VAL 63 N 0.98 0.76 -0.76 1.22 2.07 -0.06 -2.83 116.25 117.63 1c20 h VAL 63 Ca 0.17 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 1c20 h VAL 63 Cb 0.59 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1c20 h VAL 63 CO 0.04 0.03 0.25 0.40 0.02 0.00 0.00 177.57 178.30 1c20 h ILE 64 N -0.42 1.26 0.00 4.57 1.08 -1.17 -1.76 117.51 121.08 1c20 h ILE 64 Ca -0.04 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1c20 h ILE 64 Cb 0.32 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1c20 h ILE 64 CO 0.06 0.36 0.22 0.00 -0.69 0.00 0.00 178.15 178.10 1c20 n ALA 65 N -2.45 0.70 -0.34 1.87 0.00 -0.05 0.50 120.51 120.75 1c20 n ALA 65 Ca 0.06 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1c20 n ALA 65 Cb 0.23 -0.84 0.32 0.00 0.00 0.00 0.00 19.45 19.16 1c20 n ALA 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1c20 n ARG 66 N -1.91 2.72 -0.05 0.00 5.12 -0.67 -4.90 116.66 116.97 1c20 n ARG 66 Ca -0.01 -2.66 0.00 0.00 -1.93 0.00 0.00 57.85 53.25 1c20 n ARG 66 Cb 0.24 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1c20 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c20 n GLY 67 N 1.68 0.58 0.00 -0.13 0.00 0.18 -4.62 105.19 102.87 1c20 n GLY 67 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.00 4.17 0.35 -0.02 0.00 -1.20 -4.72 105.19 101.77 1c20 n GLY 68 Ca 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 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 1.04 -0.92 0.99 5.85 -1.93 -1.76 115.31 118.58 1c20 h LEU 69 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 69 Cb 0.00 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1c20 h LEU 69 CO 0.00 0.76 0.61 0.58 -0.34 0.00 0.00 178.44 180.05 1c20 h VAL 70 N 1.23 1.24 -0.81 1.05 2.07 -1.95 -0.68 116.25 118.39 1c20 h VAL 70 Ca 0.33 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1c20 h VAL 70 Cb -0.14 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.47 1c20 h VAL 70 CO -0.07 0.23 0.34 0.44 0.02 0.00 0.00 177.57 178.53 1c20 h ASP 71 N 1.25 1.11 -0.00 0.57 3.32 -1.63 -1.17 116.42 119.87 1c20 h ASP 71 Ca 0.34 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1c20 h ASP 71 Cb -0.14 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.12 1c20 h ASP 71 CO -0.07 0.97 0.00 0.58 -1.72 0.00 0.00 179.24 179.00 1c20 h VAL 72 N 1.18 1.08 0.03 -1.35 2.07 -0.51 0.11 116.25 118.85 1c20 h VAL 72 Ca 0.27 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1c20 h VAL 72 Cb 0.20 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1c20 h VAL 72 CO -0.02 0.06 -0.01 0.40 0.02 0.00 0.00 177.57 178.01 1c20 h ILE 73 N -0.09 1.03 -0.72 4.57 2.04 -0.95 2.39 117.51 125.77 1c20 h ILE 73 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1c20 h ILE 73 Cb 0.09 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1c20 h ILE 73 CO -0.00 0.04 0.47 -1.13 0.00 0.00 0.00 178.15 177.53 1c20 h ASN 74 N -0.11 0.84 0.36 1.72 -0.73 -1.16 -1.94 115.58 114.56 1c20 h ASN 74 Ca -0.00 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1c20 h ASN 74 Cb 0.10 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.48 1c20 h ASN 74 CO 0.01 0.62 -0.26 0.29 -0.37 0.00 0.00 177.43 177.71 1c20 n LYS 75 N -4.57 0.57 -3.51 6.67 5.02 0.38 -4.77 118.16 117.95 1c20 n LYS 75 Ca 0.07 -0.30 -0.25 0.00 -2.02 0.00 0.00 58.31 55.81 1c20 n LYS 75 Cb 0.02 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1c20 n LYS 75 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1c20 n LYS 76 N -0.96 -1.63 -0.92 1.97 4.81 0.79 -4.87 118.16 117.35 1c20 n LYS 76 Ca 0.11 0.62 0.05 0.00 -0.87 0.00 0.00 58.31 58.22 1c20 n LYS 76 Cb 0.33 -4.80 0.39 0.00 0.02 0.00 0.00 35.03 30.97 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c20 n LEU 77 N -3.81 5.80 -0.34 3.14 4.77 -0.43 -4.50 117.00 121.62 1c20 n LEU 77 Ca -0.08 -2.98 -0.02 0.00 -0.03 0.00 0.00 56.01 52.90 1c20 n LEU 77 Cb 0.60 -0.70 0.14 0.00 -2.33 0.00 0.00 43.42 41.13 1c20 n LEU 77 CO 0.64 0.66 1.28 -0.50 -1.33 0.00 0.00 177.39 178.14 1c20 h TRP 78 N 3.80 1.20 -0.97 -1.77 4.06 -1.90 -2.47 115.95 117.91 1c20 h TRP 78 Ca 0.04 0.03 0.11 0.00 2.06 0.00 0.00 58.89 61.12 1c20 h TRP 78 Cb 2.04 -0.41 -0.08 0.00 -1.00 0.00 0.00 29.16 29.72 1c20 h TRP 78 CO 1.12 0.76 0.62 0.37 -3.56 0.00 0.00 178.44 177.75 1c20 h GLN 79 N 1.29 0.94 -0.54 0.49 4.15 -1.99 -0.19 115.11 119.27 1c20 h GLN 79 Ca 0.35 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.72 1c20 h GLN 79 Cb -0.14 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.31 1c20 h GLN 79 CO -0.07 0.62 0.36 0.93 -1.93 0.00 0.00 178.83 178.73 1c20 h GLU 80 N 0.97 0.70 0.35 1.69 3.07 -1.79 0.48 114.58 120.05 1c20 h GLU 80 Ca 0.46 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.26 1c20 h GLU 80 Cb 0.44 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1c20 h GLU 80 CO -0.22 0.46 -0.17 0.82 -1.40 0.00 0.00 179.01 178.50 1c20 h ILE 81 N 0.72 0.00 -0.94 3.13 2.04 -1.09 -1.72 117.51 119.65 1c20 h ILE 81 Ca 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1c20 h ILE 81 Cb -0.07 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 35.97 1c20 h ILE 81 CO -0.04 0.00 0.56 0.16 0.00 0.00 0.00 178.15 178.82 1c20 h ILE 82 N -0.74 1.26 -0.05 -0.67 3.07 -1.44 0.07 117.51 119.01 1c20 h ILE 82 Ca -0.05 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1c20 h ILE 82 Cb 0.36 -0.05 -0.00 0.00 -0.27 0.00 0.00 36.82 36.86 1c20 h ILE 82 CO 0.08 0.28 0.03 0.50 -1.05 0.00 0.00 178.15 177.98 1c20 h LYS 83 N 1.30 0.06 0.42 0.16 3.64 -0.11 -2.54 116.57 119.49 1c20 h LYS 83 Ca 0.34 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1c20 h LYS 83 Cb -0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1c20 h LYS 83 CO -0.06 0.04 -0.38 0.78 -2.27 0.00 0.00 179.45 177.56 1c20 h GLY 84 N 0.07 -1.12 -5.00 5.01 0.00 -0.01 -3.44 103.07 98.59 1c20 h GLY 84 Ca 0.02 0.50 -0.13 0.00 0.00 0.00 0.00 47.33 47.72 1c20 h GLY 84 CO -0.00 -0.35 -0.02 1.47 0.00 0.00 0.00 176.54 177.63 1c20 n LEU 85 N -4.69 -1.46 -1.39 3.11 -0.00 -1.10 -5.00 117.00 106.46 1c20 n LEU 85 Ca -0.09 -2.33 0.02 0.00 -0.00 0.00 0.00 56.01 53.61 1c20 n LEU 85 Cb 0.35 0.81 0.01 0.00 -0.00 0.00 0.00 43.42 44.59 1c20 n LEU 85 CO 0.21 1.56 0.11 1.41 -0.00 0.00 0.00 177.39 180.67 1c20 n HIS 86 N 0.00 0.00 -3.56 1.47 -0.00 -0.98 -4.98 115.22 107.18 1c20 n HIS 86 Ca -0.11 -0.48 -0.27 0.00 -0.00 0.00 0.00 57.72 56.86 1c20 n HIS 86 Cb 0.73 -0.06 -0.10 0.00 -0.00 0.00 0.00 29.99 30.55 1c20 n HIS 86 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1c20 n LEU 87 N 0.42 1.26 0.24 2.41 4.77 -1.26 -4.89 117.00 119.95 1c20 n LEU 87 Ca 0.01 -4.81 -0.14 0.00 -0.03 0.00 0.00 56.01 51.04 1c20 n LEU 87 Cb 1.07 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 42.05 1c20 n LEU 87 CO -0.05 1.86 0.53 -0.65 -1.33 0.00 0.00 177.39 177.74 1c20 h PRO 88 N 5.25 -0.60 0.00 3.23 0.11 -1.94 -3.47 132.00 134.58 1c20 h PRO 88 Ca 0.20 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1c20 h PRO 88 Cb 0.83 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1c20 h PRO 88 CO 0.55 -0.30 0.00 0.45 -0.21 0.00 0.00 178.00 178.49 1c20 n SER 89 N -5.26 0.00 -0.49 -2.05 2.88 -1.26 -4.97 113.62 102.48 1c20 n SER 89 Ca -0.11 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.55 1c20 n SER 89 Cb 0.30 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.94 1c20 n SER 89 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1c20 n SER 90 N 0.00 1.82 -4.16 -3.46 3.41 -1.26 -4.84 113.62 105.12 1c20 n SER 90 Ca 0.00 -1.40 -0.33 0.00 -0.26 0.00 0.00 58.87 56.89 1c20 n SER 90 Cb 0.00 0.26 -0.16 0.00 -0.26 0.00 0.00 64.21 64.04 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1c20 s ILE 91 N -2.37 2.06 -0.16 -1.33 1.01 -1.26 -4.99 121.20 114.17 1c20 s ILE 91 Ca 0.24 -0.97 0.14 0.00 0.00 0.00 0.00 60.65 60.05 1c20 s ILE 91 Cb 0.19 -1.83 0.39 0.00 0.01 0.00 0.00 42.46 41.23 1c20 s ILE 91 CO 0.49 0.55 1.20 0.35 0.00 0.00 0.00 174.94 177.53 1c20 n THR 92 N 4.15 1.77 -2.40 2.92 -2.24 -1.26 -4.69 114.28 112.52 1c20 n THR 92 Ca -0.20 -2.69 -0.03 0.00 -2.27 0.00 0.00 64.05 58.86 1c20 n THR 92 Cb 0.51 -0.03 0.05 0.00 -2.10 0.00 0.00 70.33 68.77 1c20 n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1c20 n SER 93 N -0.88 -1.12 -0.35 3.42 7.64 -1.26 -4.98 113.62 116.08 1c20 n SER 93 Ca 0.16 -1.93 -0.03 0.00 1.01 0.00 0.00 58.87 58.09 1c20 n SER 93 Cb 0.75 0.48 0.10 0.00 -1.01 0.00 0.00 64.21 64.53 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c20 h ALA 94 N 0.57 1.22 -0.53 -0.43 0.00 -1.90 -2.58 119.26 115.60 1c20 h ALA 94 Ca -0.42 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1c20 h ALA 94 Cb 1.26 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1c20 h ALA 94 CO -0.19 0.67 0.23 0.00 0.00 0.00 0.00 179.25 179.96 1c20 h ALA 95 N 1.32 0.68 -0.65 0.00 0.00 -1.93 0.25 119.26 118.92 1c20 h ALA 95 Ca 0.34 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1c20 h ALA 95 Cb -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1c20 h ALA 95 CO -0.06 -0.14 0.43 0.35 0.00 0.00 0.00 179.25 179.82 1c20 h PHE 96 N 0.44 0.82 -0.49 0.00 3.57 -1.88 -1.51 116.94 117.89 1c20 h PHE 96 Ca 0.25 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 1c20 h PHE 96 Cb 0.23 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1c20 h PHE 96 CO -0.13 0.52 -0.21 1.15 -2.23 0.00 0.00 178.31 177.41 1c20 h THR 97 N 0.88 1.27 -0.10 4.41 2.02 -1.06 -3.11 112.91 117.22 1c20 h THR 97 Ca 0.24 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1c20 h THR 97 Cb -0.10 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1c20 h THR 97 CO -0.05 0.48 0.05 -0.07 0.37 0.00 0.00 175.52 176.29 1c20 h LEU 98 N 0.87 0.13 -1.14 2.58 3.38 -0.12 -2.60 115.31 118.42 1c20 h LEU 98 Ca 0.11 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1c20 h LEU 98 Cb 0.79 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1c20 h LEU 98 CO 0.07 0.23 0.58 0.08 0.09 0.00 0.00 178.44 179.48 1c20 h ARG 99 N 0.03 1.15 -0.09 1.13 0.11 -1.32 -1.73 114.38 113.66 1c20 h ARG 99 Ca 0.03 -0.07 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 1c20 h ARG 99 Cb 0.13 -0.26 0.00 0.00 1.11 0.00 0.00 29.97 30.96 1c20 h ARG 99 CO -0.00 0.76 -0.32 0.00 0.10 0.00 0.00 179.97 180.51 1c20 h THR 100 N 1.18 1.40 -0.44 0.08 1.03 -1.46 -2.83 112.91 111.87 1c20 h THR 100 Ca 0.32 -1.67 -0.08 0.00 -0.01 0.00 0.00 66.41 64.97 1c20 h THR 100 Cb -0.13 2.22 -0.02 0.00 -1.07 0.00 0.00 68.15 69.15 1c20 h THR 100 CO -0.07 0.49 -0.07 0.06 -0.01 0.00 0.00 175.52 175.91 1c20 h GLN 101 N -0.08 0.76 0.00 0.00 3.07 -1.39 -1.21 115.11 116.27 1c20 h GLN 101 Ca -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 1c20 h GLN 101 Cb 0.94 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.43 1c20 h GLN 101 CO 0.07 0.82 -0.00 -0.92 0.09 0.00 0.00 178.83 178.89 1c20 h TYR 102 N 0.70 -0.00 0.00 0.06 5.03 -1.35 -1.77 116.97 119.63 1c20 h TYR 102 Ca 0.13 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1c20 h TYR 102 Cb 0.54 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 1c20 h TYR 102 CO 0.03 -0.00 -0.18 0.52 -1.32 0.00 0.00 178.16 177.20 1c20 h MET 103 N -0.00 0.00 -0.76 1.82 2.86 -1.30 1.04 114.93 118.59 1c20 h MET 103 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1c20 h MET 103 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1c20 h MET 103 CO -0.00 0.18 0.50 -0.22 1.06 0.00 0.00 176.91 178.43 1c20 h LYS 104 N 0.00 1.00 0.00 1.72 1.63 -0.31 -3.37 116.57 117.24 1c20 h LYS 104 Ca -0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1c20 h LYS 104 Cb 0.32 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1c20 h LYS 104 CO 0.02 0.66 0.00 0.66 -3.45 0.00 0.00 179.45 177.34 1c20 n TYR 105 N -4.56 0.00 0.22 1.91 4.01 -1.09 -4.89 117.16 112.77 1c20 n TYR 105 Ca 0.07 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.89 1c20 n TYR 105 Cb 0.02 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.94 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 -0.10 0.22 -0.01 7.72 4.77 0.35 -4.26 117.00 125.69 1c20 n LEU 106 Ca 0.00 -0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 55.74 1c20 n LEU 106 Cb 0.06 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1c20 n LEU 106 CO 0.00 0.06 0.59 0.22 -1.33 0.00 0.00 177.39 176.93 1c20 h TYR 107 N 0.00 0.69 -0.14 -1.77 5.03 -1.52 -0.08 116.97 119.17 1c20 h TYR 107 Ca 0.00 -0.20 -0.22 0.00 2.58 0.00 0.00 58.73 60.89 1c20 h TYR 107 Cb 0.59 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 38.73 1c20 h TYR 107 CO 0.00 0.89 -0.76 -1.00 -1.32 0.00 0.00 178.16 175.97 1c20 h PRO 108 N 0.48 0.73 -0.41 1.82 0.14 -1.84 -2.79 132.00 130.12 1c20 h PRO 108 Ca 0.04 -0.59 -0.11 0.00 0.14 0.00 0.00 66.00 65.48 1c20 h PRO 108 Cb 0.91 0.12 -0.01 0.00 0.14 0.00 0.00 31.00 32.16 1c20 h PRO 108 CO 0.08 1.20 -0.17 -0.92 0.14 0.00 0.00 178.00 178.33 1c20 h TYR 109 N 0.50 0.97 -0.01 1.56 3.20 -1.72 -1.07 116.97 120.39 1c20 h TYR 109 Ca -0.05 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1c20 h TYR 109 Cb 1.38 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1c20 h TYR 109 CO 0.08 0.99 -0.00 1.49 -1.64 0.00 0.00 178.16 179.08 1c20 h GLU 110 N 0.66 -0.00 0.00 1.82 4.81 -1.02 -1.87 114.58 118.97 1c20 h GLU 110 Ca 0.10 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1c20 h GLU 110 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1c20 h GLU 110 CO 0.05 -0.00 -0.22 0.00 -0.73 0.00 0.00 179.01 178.11 1c20 h GLU 112 N 0.00 -0.25 -0.32 0.00 4.81 -0.40 1.41 114.58 119.83 1c20 h GLU 112 Ca -0.00 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1c20 h GLU 112 Cb 0.56 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1c20 h GLU 112 CO 0.03 0.07 -0.50 0.87 -0.73 0.00 0.00 179.01 178.75 1c20 h LYS 113 N -0.59 0.90 0.00 1.92 1.79 -1.36 -3.38 116.57 115.86 1c20 h LYS 113 Ca -0.03 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1c20 h LYS 113 Cb 0.44 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1c20 h LYS 113 CO 0.04 1.19 -0.56 1.63 -1.08 0.00 0.00 179.45 180.67 1c20 n LYS 114 N -4.02 3.20 -3.78 3.15 5.02 -0.83 -5.03 118.16 115.87 1c20 n LYS 114 Ca -0.04 -0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 1c20 n LYS 114 Cb 0.61 -0.79 0.01 0.00 -0.02 0.00 0.00 35.03 34.84 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 -1.29 -1.65 -0.38 4.39 5.15 0.48 -4.83 115.26 117.14 1c20 n ASN 115 Ca -0.00 -0.92 -0.02 0.00 -0.60 0.00 0.00 54.58 53.04 1c20 n ASN 115 Cb 0.01 -3.58 0.11 0.00 -0.53 0.00 0.00 39.78 35.80 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1c20 h LEU 116 N -1.84 1.16 0.00 1.20 3.38 -1.79 -3.47 115.31 113.95 1c20 h LEU 116 Ca -0.63 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1c20 h LEU 116 Cb 1.36 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1c20 h LEU 116 CO 0.57 0.84 0.00 -1.20 0.09 0.00 0.00 178.44 178.74 1c20 n SER 117 N -4.38 0.00 -4.26 -0.43 7.64 -1.26 -5.10 113.62 105.84 1c20 n SER 117 Ca 0.12 -0.94 -0.21 0.00 1.01 0.00 0.00 58.87 58.85 1c20 n SER 117 Cb 0.01 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.09 1c20 n SER 117 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1c20 s THR 118 N -2.91 1.51 0.61 0.44 -4.23 -1.26 -4.94 115.64 104.85 1c20 s THR 118 Ca 0.00 -1.58 0.22 0.00 -1.18 0.00 0.00 61.69 59.15 1c20 s THR 118 Cb 0.00 -1.48 0.22 0.00 1.34 0.00 0.00 72.50 72.58 1c20 s THR 118 CO 0.00 -0.21 1.67 -0.65 -0.54 0.00 0.00 174.62 174.88 1c20 h PRO 119 N 3.89 0.00 0.56 3.99 0.10 -2.00 -1.84 132.00 136.69 1c20 h PRO 119 Ca -0.43 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.64 1c20 h PRO 119 Cb 1.19 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.30 1c20 h PRO 119 CO 0.44 0.00 -0.27 0.00 0.10 0.00 0.00 178.00 178.27 1c20 h ALA 120 N 1.03 -0.75 0.00 -0.75 0.00 -2.01 -2.97 119.26 113.81 1c20 h ALA 120 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1c20 h ALA 120 Cb 0.94 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1c20 h ALA 120 CO 0.00 -0.70 -0.11 1.05 0.00 0.00 0.00 179.25 179.49 1c20 h GLU 121 N -1.20 0.00 -0.89 0.00 -0.00 -1.78 -2.06 114.58 108.66 1c20 h GLU 121 Ca -0.08 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.29 1c20 h GLU 121 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.28 1c20 h GLU 121 CO 0.13 0.11 0.59 1.25 -0.00 0.00 0.00 179.01 181.08 1c20 h LEU 122 N 0.00 1.02 -1.02 3.06 5.85 -1.32 0.29 115.31 123.20 1c20 h LEU 122 Ca -0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 122 Cb 0.33 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1c20 h LEU 122 CO 0.01 0.74 0.66 -0.61 -0.34 0.00 0.00 178.44 178.90 1c20 h GLN 123 N 1.20 1.31 -0.98 1.25 5.75 -1.21 0.27 115.11 122.71 1c20 h GLN 123 Ca 0.33 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1c20 h GLN 123 Cb -0.14 -0.30 -0.05 0.00 1.07 0.00 0.00 27.48 28.07 1c20 h GLN 123 CO -0.07 0.87 0.63 0.00 -2.65 0.00 0.00 178.83 177.61 1c20 h ALA 124 N 1.37 1.25 -0.60 3.38 0.00 -1.01 0.57 119.26 124.23 1c20 h ALA 124 Ca 0.37 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1c20 h ALA 124 Cb -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.22 1c20 h ALA 124 CO -0.08 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1c20 h ALA 125 N 1.35 0.87 -0.38 0.00 0.00 0.75 -1.77 119.26 120.07 1c20 h ALA 125 Ca 0.36 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1c20 h ALA 125 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1c20 h ALA 125 CO -0.07 0.66 -0.39 0.82 0.00 0.00 0.00 179.25 180.27 1c20 h ILE 126 N 0.96 1.27 -1.00 0.00 2.04 0.53 -2.90 117.51 118.41 1c20 h ILE 126 Ca 0.17 -1.57 0.01 0.00 1.00 0.00 0.00 64.86 64.48 1c20 h ILE 126 Cb 0.55 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1c20 h ILE 126 CO 0.03 0.52 0.66 0.44 0.00 0.00 0.00 178.15 179.81 1c20 h ASP 127 N 0.76 1.15 -0.55 1.72 3.32 0.35 -0.21 116.42 122.96 1c20 h ASP 127 Ca 0.06 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1c20 h ASP 127 Cb 0.99 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1c20 h ASP 127 CO 0.10 0.83 0.36 1.23 -1.72 0.00 0.00 179.24 180.04 1c20 h GLY 128 N 1.36 0.76 -7.39 2.75 0.00 -1.16 -3.33 103.07 96.05 1c20 h GLY 128 Ca 0.37 -0.28 -0.71 0.00 0.00 0.00 0.00 47.33 46.71 1c20 h GLY 128 CO -0.08 0.27 -0.47 0.21 0.00 0.00 0.00 176.54 176.47 1c20 s ASN 129 N -6.54 5.49 0.00 0.19 2.47 -0.09 -5.09 114.94 111.37 1c20 s ASN 129 Ca -0.09 -1.98 0.05 0.00 0.42 0.00 0.00 52.86 51.26 1c20 s ASN 129 Cb 0.18 -1.92 0.33 0.00 -1.45 0.00 0.00 41.25 38.38 1c20 s ASN 129 CO 0.75 -0.62 0.80 0.54 -3.72 0.00 0.00 177.10 174.85