#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 3.71 0.13 1.61 -0.00 -1.26 -5.02 118.94 118.11 1c20 s TRP 4 Ca 0.00 1.59 0.01 0.00 -0.00 0.00 0.00 56.10 57.70 1c20 s TRP 4 Cb 0.00 -2.96 -0.04 0.00 -0.00 0.00 0.00 33.47 30.46 1c20 s TRP 4 CO 0.00 0.15 -0.01 -1.54 -0.00 0.00 0.00 176.95 175.55 1c20 s SER 5 N 0.37 0.95 0.09 5.86 1.04 -1.26 -5.03 113.70 115.72 1c20 s SER 5 Ca 0.44 -1.11 -0.23 0.00 0.48 0.00 0.00 55.95 55.53 1c20 s SER 5 Cb -0.21 0.15 -0.14 0.00 0.10 0.00 0.00 66.02 65.92 1c20 s SER 5 CO 0.26 -0.57 1.74 0.15 0.98 0.00 0.00 173.24 175.80 1c20 h PHE 6 N 2.85 0.03 0.00 5.02 3.04 -2.02 -2.38 116.94 123.48 1c20 h PHE 6 Ca -0.36 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.55 1c20 h PHE 6 Cb 1.19 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1c20 h PHE 6 CO 0.53 0.02 -0.19 1.05 -2.02 0.00 0.00 178.31 177.70 1c20 h GLU 7 N 0.03 0.00 -0.77 1.11 4.11 -1.99 -2.79 114.58 114.28 1c20 h GLU 7 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1c20 h GLU 7 Cb -0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1c20 h GLU 7 CO -0.00 0.19 0.38 1.49 0.07 0.00 0.00 179.01 181.13 1c20 h GLU 8 N 0.00 1.10 -0.39 1.06 4.81 -1.83 1.00 114.58 120.33 1c20 h GLU 8 Ca -0.00 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 1c20 h GLU 8 Cb 0.44 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1c20 h GLU 8 CO 0.02 0.85 -0.38 0.37 -0.73 0.00 0.00 179.01 179.14 1c20 h GLN 9 N 1.08 0.94 0.02 1.92 5.75 -1.43 -2.87 115.11 120.52 1c20 h GLN 9 Ca 0.26 -0.50 -0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1c20 h GLN 9 Cb 0.11 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1c20 h GLN 9 CO -0.03 1.15 -0.01 0.35 -2.65 0.00 0.00 178.83 177.64 1c20 h PHE 10 N 0.77 -0.02 -0.16 3.99 3.57 -1.21 -2.71 116.94 121.16 1c20 h PHE 10 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1c20 h PHE 10 Cb 0.98 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1c20 h PHE 10 CO 0.06 0.19 0.11 1.57 -2.23 0.00 0.00 178.31 178.01 1c20 h LYS 11 N -0.23 0.22 -0.00 1.11 2.10 -0.86 0.80 116.57 119.71 1c20 h LYS 11 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1c20 h LYS 11 Cb 0.22 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1c20 h LYS 11 CO 0.00 0.14 0.00 1.96 -2.00 0.00 0.00 179.45 179.56 1c20 h GLN 12 N 0.22 0.00 -0.49 0.07 4.20 -1.24 -0.58 115.11 117.29 1c20 h GLN 12 Ca 0.06 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 1c20 h GLN 12 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1c20 h GLN 12 CO -0.01 0.00 -0.22 0.28 -0.67 0.00 0.00 178.83 178.21 1c20 h VAL 13 N 0.00 1.27 -0.36 -0.54 2.07 -0.73 -3.01 116.25 114.95 1c20 h VAL 13 Ca 0.00 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1c20 h VAL 13 Cb 0.00 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1c20 h VAL 13 CO -0.00 0.48 0.03 -0.09 0.02 0.00 0.00 177.57 178.01 1c20 h ARG 14 N 0.87 0.13 0.00 1.57 2.43 -1.05 0.12 114.38 118.44 1c20 h ARG 14 Ca 0.11 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1c20 h ARG 14 Cb 0.80 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1c20 h ARG 14 CO 0.07 0.09 -0.01 -0.56 -1.51 0.00 0.00 179.97 178.05 1c20 h GLN 15 N 0.13 0.00 -0.37 0.20 3.07 -1.44 -1.63 115.11 115.07 1c20 h GLN 15 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.88 1c20 h GLN 15 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.77 1c20 h GLN 15 CO -0.27 0.01 0.12 -0.07 0.09 0.00 0.00 178.83 178.71 1c20 h LEU 16 N 0.00 0.54 -0.61 0.06 3.38 -0.64 -2.68 115.31 115.36 1c20 h LEU 16 Ca -0.00 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1c20 h LEU 16 Cb 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1c20 h LEU 16 CO 0.00 0.60 -0.02 1.88 0.09 0.00 0.00 178.44 181.00 1c20 h TYR 17 N 0.45 1.18 0.00 1.13 -1.99 -1.14 -2.38 116.97 114.22 1c20 h TYR 17 Ca 0.12 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1c20 h TYR 17 Cb 0.25 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1c20 h TYR 17 CO 0.01 1.04 0.00 0.39 -0.00 0.00 0.00 178.16 179.60 1c20 n GLU 18 N -4.17 0.11 -0.36 4.88 1.02 -0.80 -2.98 120.64 118.34 1c20 n GLU 18 Ca 0.03 0.21 0.07 0.00 -0.02 0.00 0.00 57.16 57.46 1c20 n GLU 18 Cb 0.36 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.92 -2.01 -3.67 2.04 -1.11 -3.45 117.51 110.23 1c20 h ILE 19 Ca 0.00 -0.34 0.20 0.00 1.00 0.00 0.00 64.86 65.72 1c20 h ILE 19 Cb 0.08 -0.16 -0.13 0.00 -0.74 0.00 0.00 36.82 35.87 1c20 h ILE 19 CO 0.00 0.18 0.61 0.21 0.00 0.00 0.00 178.15 179.15 1c20 s ASN 20 N -5.69 -0.20 -0.15 1.72 3.84 -1.16 -5.01 114.94 108.29 1c20 s ASN 20 Ca -0.12 -0.17 0.10 0.00 0.21 0.00 0.00 52.86 52.88 1c20 s ASN 20 Cb 0.22 0.34 0.57 0.00 -0.55 0.00 0.00 41.25 41.84 1c20 s ASN 20 CO 0.81 -0.60 1.39 0.47 -2.79 0.00 0.00 177.10 176.38 1c20 n ASP 21 N -0.35 4.24 -4.67 -4.21 8.00 -1.26 -4.84 116.55 113.45 1c20 n ASP 21 Ca -0.06 -2.60 -0.42 0.00 0.71 0.00 0.00 54.79 52.41 1c20 n ASP 21 Cb 0.61 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.50 4.14 -0.31 -2.24 2.03 -1.26 -4.87 116.55 114.54 1c20 n ASP 22 Ca 0.20 0.92 -0.02 0.00 0.52 0.00 0.00 54.79 56.41 1c20 n ASP 22 Cb 0.88 -1.53 0.11 0.00 -0.72 0.00 0.00 41.12 39.86 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 10.16 1.05 -0.33 -0.67 0.13 -1.99 -1.42 132.00 138.93 1c20 h PRO 23 Ca -0.49 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1c20 h PRO 23 Cb 1.24 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1c20 h PRO 23 CO 0.94 0.69 0.22 0.87 -0.23 0.00 0.00 178.00 180.50 1c20 h LYS 24 N 1.08 0.44 -0.10 0.86 1.57 -1.97 0.81 116.57 119.25 1c20 h LYS 24 Ca 0.34 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1c20 h LYS 24 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1c20 h LYS 24 CO -0.11 0.29 0.07 -0.09 -0.57 0.00 0.00 179.45 179.04 1c20 h ARG 25 N 0.45 0.14 -0.00 3.15 2.43 -1.87 1.58 114.38 120.26 1c20 h ARG 25 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1c20 h ARG 25 Cb -0.05 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1c20 h ARG 25 CO -0.03 0.09 0.00 -0.22 -1.51 0.00 0.00 179.97 178.31 1c20 h LYS 26 N 0.14 0.00 -0.63 0.20 3.64 -0.82 0.14 116.57 119.24 1c20 h LYS 26 Ca 0.04 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1c20 h LYS 26 Cb -0.01 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1c20 h LYS 26 CO -0.01 0.00 0.18 0.93 -2.27 0.00 0.00 179.45 178.29 1c20 h GLU 27 N -0.00 0.98 0.00 1.90 5.08 0.98 -1.20 114.58 122.33 1c20 h GLU 27 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1c20 h GLU 27 Cb 0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1c20 h GLU 27 CO -0.00 0.87 -0.01 0.35 -1.00 0.00 0.00 179.01 179.23 1c20 h PHE 28 N 0.90 -0.02 -0.22 4.33 3.04 0.27 0.38 116.94 125.63 1c20 h PHE 28 Ca 0.20 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1c20 h PHE 28 Cb 0.31 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1c20 h PHE 28 CO 0.02 -0.01 0.14 -0.07 -2.02 0.00 0.00 178.31 176.37 1c20 h LEU 29 N -0.01 0.25 -1.01 0.59 3.38 -0.57 0.67 115.31 118.60 1c20 h LEU 29 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1c20 h LEU 29 Cb 0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1c20 h LEU 29 CO -0.00 0.18 0.67 -0.78 0.09 0.00 0.00 178.44 178.59 1c20 h ASP 30 N 0.29 1.15 0.23 -0.43 1.82 -0.97 0.29 116.42 118.81 1c20 h ASP 30 Ca 0.08 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1c20 h ASP 30 Cb -0.03 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 39.69 1c20 h ASP 30 CO -0.02 0.83 -0.11 0.44 -1.61 0.00 0.00 179.24 178.77 1c20 h ASP 31 N 1.36 -0.26 0.00 2.28 3.32 0.72 -1.08 116.42 122.76 1c20 h ASP 31 Ca 0.37 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1c20 h ASP 31 Cb -0.15 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1c20 h ASP 31 CO -0.08 0.16 -0.00 0.25 -1.72 0.00 0.00 179.24 177.85 1c20 h LEU 32 N -0.74 -0.01 -1.32 1.55 5.85 0.50 -2.01 115.31 119.15 1c20 h LEU 32 Ca -0.03 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1c20 h LEU 32 Cb 0.50 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1c20 h LEU 32 CO 0.05 -0.00 0.50 -0.26 -0.34 0.00 0.00 178.44 178.39 1c20 h PHE 33 N -0.01 0.84 0.13 1.25 0.04 -0.48 -2.69 116.94 116.02 1c20 h PHE 33 Ca -0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1c20 h PHE 33 Cb 0.01 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.88 1c20 h PHE 33 CO -0.08 0.45 -0.06 0.77 -0.60 0.00 0.00 178.31 178.79 1c20 h SER 34 N 0.84 -0.15 0.24 2.17 0.02 -0.46 0.11 113.55 116.32 1c20 h SER 34 Ca 0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1c20 h SER 34 Cb 0.22 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1c20 h SER 34 CO -0.11 -0.11 -0.12 0.15 -1.14 0.00 0.00 176.83 175.51 1c20 h PHE 35 N -0.17 -0.30 0.00 3.45 3.04 -1.13 -1.58 116.94 120.24 1c20 h PHE 35 Ca -0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1c20 h PHE 35 Cb 0.13 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1c20 h PHE 35 CO -0.07 -0.19 0.00 0.00 -2.02 0.00 0.00 178.31 176.03 1c20 n MET 36 N -5.23 0.05 0.00 1.11 0.00 -1.09 -2.94 117.12 109.03 1c20 n MET 36 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1c20 n MET 36 Cb 0.15 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 31.76 1c20 n MET 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1c20 n GLN 37 N -1.72 0.00 -0.20 3.17 10.64 0.02 -2.63 117.38 126.66 1c20 n GLN 37 Ca 0.02 0.32 -0.03 0.00 -1.83 0.00 0.00 57.00 55.47 1c20 n GLN 37 Cb 0.14 -1.63 0.03 0.00 -0.86 0.00 0.00 30.24 27.92 1c20 n GLN 37 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1c20 h LYS 38 N 0.00 -0.11 -0.05 2.61 3.64 -1.72 1.58 116.57 122.53 1c20 h LYS 38 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1c20 h LYS 38 Cb 0.27 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1c20 h LYS 38 CO 0.00 -0.07 -0.49 0.00 -2.27 0.00 0.00 179.45 176.62 1c20 h ARG 39 N -0.11 0.12 0.00 1.90 2.47 -1.84 -3.46 114.38 113.46 1c20 h ARG 39 Ca 0.26 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1c20 h ARG 39 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1c20 h ARG 39 CO -0.67 0.59 0.00 0.41 0.56 0.00 0.00 179.97 180.86 1c20 n GLY 40 N -0.06 0.15 3.64 0.04 0.00 0.54 -5.07 105.19 104.43 1c20 n GLY 40 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 3.56 0.00 2.61 -4.23 -1.26 -4.96 115.64 109.31 1c20 s THR 41 Ca 0.00 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1c20 s THR 41 Cb 0.00 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1c20 s THR 41 CO 0.00 -0.17 0.00 -0.81 -0.54 0.00 0.00 174.62 173.10 1c20 n PRO 42 N -0.27 1.79 0.00 3.99 -0.04 -1.26 -4.76 135.00 134.46 1c20 n PRO 42 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1c20 n PRO 42 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.59 0.00 0.00 0.52 0.13 -1.26 -5.03 119.36 113.13 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 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 -4.28 9.51 5.15 -1.26 -5.03 115.26 119.35 1c20 n ASN 44 Ca 0.00 0.12 -0.21 0.00 -0.60 0.00 0.00 54.58 53.89 1c20 n ASN 44 Cb 0.00 -0.23 -0.12 0.00 -0.53 0.00 0.00 39.78 38.90 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 -0.46 1.13 -0.56 1.20 1.81 -1.26 -5.10 118.95 115.71 1c20 s ARG 45 Ca 0.00 -1.25 0.05 0.00 -1.72 0.00 0.00 55.73 52.81 1c20 s ARG 45 Cb 0.00 -1.21 0.17 0.00 -0.45 0.00 0.00 34.95 33.46 1c20 s ARG 45 CO 0.00 0.26 0.42 1.28 -0.68 0.00 0.00 175.30 176.58 1c20 n LEU 46 N 0.69 1.30 -4.71 2.53 4.77 -1.26 -5.11 117.00 115.21 1c20 n LEU 46 Ca -0.16 -4.80 -0.31 0.00 -0.03 0.00 0.00 56.01 50.70 1c20 n LEU 46 Cb 0.56 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.67 1c20 n LEU 46 CO 0.26 1.81 0.69 -2.84 -1.33 0.00 0.00 177.39 175.98 1c20 s PRO 47 N -0.74 1.54 -0.20 3.23 0.02 -1.26 -4.85 135.00 132.75 1c20 s PRO 47 Ca 0.29 1.38 -0.04 0.00 0.02 0.00 0.00 61.00 62.65 1c20 s PRO 47 Cb 0.00 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.70 1c20 s PRO 47 CO -0.18 -2.21 -0.03 0.42 -0.33 0.00 0.00 177.00 174.67 1c20 s ILE 48 N -2.76 3.68 -0.55 2.83 -1.09 -1.26 -2.50 121.20 119.54 1c20 s ILE 48 Ca 0.64 -0.41 -0.16 0.00 -2.23 0.00 0.00 60.65 58.50 1c20 s ILE 48 Cb -0.20 -2.65 0.13 0.00 -1.58 0.00 0.00 42.46 38.16 1c20 s ILE 48 CO 0.57 0.44 0.51 -0.04 -1.23 0.00 0.00 174.94 175.19 1c20 s MET 49 N 1.05 3.02 -0.30 2.79 -1.94 0.94 -4.79 119.30 120.07 1c20 s MET 49 Ca 0.01 -1.75 -0.24 0.00 -1.71 0.00 0.00 55.69 52.01 1c20 s MET 49 Cb -0.15 -4.30 0.04 0.00 2.01 0.00 0.00 34.83 32.43 1c20 s MET 49 CO 0.01 -1.33 0.42 0.00 -0.01 0.00 0.00 175.02 174.11 1c20 n ALA 50 N 5.18 -2.31 0.00 3.03 0.00 -1.26 0.15 120.51 125.30 1c20 n ALA 50 Ca -0.13 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1c20 n ALA 50 Cb 0.40 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 0.31 0.00 -2.95 0.00 4.81 -1.26 -4.87 118.16 114.20 1c20 n LYS 51 Ca -0.04 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.21 1c20 n LYS 51 Cb 0.58 -3.62 0.02 0.00 0.02 0.00 0.00 35.03 32.02 1c20 n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1c20 s SER 52 N -1.56 5.59 -0.04 3.14 0.15 0.12 -5.11 113.70 115.99 1c20 s SER 52 Ca 0.00 -0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1c20 s SER 52 Cb 0.00 -0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 63.50 1c20 s SER 52 CO 0.00 -0.83 -0.20 -0.69 1.20 0.00 0.00 173.24 172.72 1c20 s VAL 53 N -2.45 1.67 -0.51 4.45 1.01 -1.26 -0.04 120.40 123.26 1c20 s VAL 53 Ca 0.54 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 1c20 s VAL 53 Cb -0.10 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.79 1c20 s VAL 53 CO 0.34 0.47 2.40 -0.22 0.00 0.00 0.00 175.10 178.09 1c20 s LEU 54 N -0.13 3.37 -0.13 3.92 2.96 -1.04 -4.83 118.68 122.79 1c20 s LEU 54 Ca -0.01 1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 54.60 1c20 s LEU 54 Cb -0.11 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1c20 s LEU 54 CO 0.02 -2.93 1.54 -0.62 -1.32 0.00 0.00 176.35 173.03 1c20 s ASP 55 N 12.05 6.66 0.47 3.68 -1.08 -1.26 -4.86 116.67 132.33 1c20 s ASP 55 Ca 0.96 1.90 0.12 0.00 -0.52 0.00 0.00 52.55 55.02 1c20 s ASP 55 Cb -0.17 -2.53 1.09 0.00 -1.46 0.00 0.00 42.92 39.85 1c20 s ASP 55 CO 0.25 -0.98 2.10 -0.07 0.52 0.00 0.00 175.17 176.99 1c20 h LEU 56 N 10.52 0.22 -0.84 -1.34 3.38 -2.01 -1.63 115.31 123.61 1c20 h LEU 56 Ca -0.34 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1c20 h LEU 56 Cb 1.15 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1c20 h LEU 56 CO 0.97 0.16 0.56 0.22 0.09 0.00 0.00 178.44 180.44 1c20 h TYR 57 N 0.26 1.06 -0.91 1.13 5.03 -2.00 -2.48 116.97 119.05 1c20 h TYR 57 Ca 0.08 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.42 1c20 h TYR 57 Cb 0.01 -0.36 -0.05 0.00 1.55 0.00 0.00 36.73 37.88 1c20 h TYR 57 CO -0.00 0.67 0.60 1.49 -1.32 0.00 0.00 178.16 179.60 1c20 h GLU 58 N 1.14 1.20 -0.26 1.82 4.81 -1.68 -1.75 114.58 119.85 1c20 h GLU 58 Ca 0.31 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1c20 h GLU 58 Cb -0.13 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 28.97 1c20 h GLU 58 CO -0.07 0.80 0.17 1.25 -0.73 0.00 0.00 179.01 180.44 1c20 h LEU 59 N 1.24 0.30 0.02 1.64 5.85 -1.46 -2.01 115.31 120.88 1c20 h LEU 59 Ca 0.33 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1c20 h LEU 59 Cb -0.14 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1c20 h LEU 59 CO -0.07 0.22 -0.01 0.22 -0.34 0.00 0.00 178.44 178.46 1c20 h TYR 60 N 0.36 -0.02 -1.00 1.25 3.20 -1.19 -1.12 116.97 118.44 1c20 h TYR 60 Ca 0.10 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1c20 h TYR 60 Cb -0.04 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1c20 h TYR 60 CO -0.06 0.03 0.66 -0.91 -1.64 0.00 0.00 178.16 176.25 1c20 h ASN 61 N -0.07 1.16 -0.74 -2.11 2.35 -1.25 -1.07 115.58 113.85 1c20 h ASN 61 Ca -0.00 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1c20 h ASN 61 Cb 0.06 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1c20 h ASN 61 CO 0.00 0.84 0.22 -0.07 -1.65 0.00 0.00 177.43 176.77 1c20 h LEU 62 N 1.36 1.10 0.56 1.61 3.38 -1.15 0.06 115.31 122.24 1c20 h LEU 62 Ca 0.37 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1c20 h LEU 62 Cb -0.15 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.32 1c20 h LEU 62 CO -0.08 1.02 -0.27 0.58 0.09 0.00 0.00 178.44 179.79 1c20 h VAL 63 N 1.11 0.32 -0.54 1.22 2.07 -0.35 -2.72 116.25 117.38 1c20 h VAL 63 Ca 0.24 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1c20 h VAL 63 Cb 0.33 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1c20 h VAL 63 CO -0.00 0.04 0.36 0.40 0.02 0.00 0.00 177.57 178.38 1c20 h ILE 64 N -1.00 1.14 0.00 4.57 1.08 -1.22 -0.17 117.51 121.92 1c20 h ILE 64 Ca -0.08 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1c20 h ILE 64 Cb 0.65 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1c20 h ILE 64 CO 0.13 0.13 0.29 0.00 -0.69 0.00 0.00 178.15 178.01 1c20 h ALA 65 N 1.20 1.28 -0.73 1.87 0.00 -0.96 0.46 119.26 122.37 1c20 h ALA 65 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1c20 h ALA 65 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1c20 h ALA 65 CO -0.04 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.47 1c20 n ARG 66 N -2.82 2.70 0.00 0.00 1.74 -0.11 -4.93 116.66 113.24 1c20 n ARG 66 Ca -0.02 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.41 1c20 n ARG 66 Cb 0.33 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.67 2.92 0.00 -0.13 0.00 0.16 -4.60 105.19 105.21 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 -1.13 3.74 0.10 -0.02 0.00 -0.95 -4.70 105.19 102.23 1c20 n GLY 68 Ca 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 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 0.19 -0.99 0.99 5.85 -1.95 -1.52 115.31 117.88 1c20 h LEU 69 Ca 0.00 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1c20 h LEU 69 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1c20 h LEU 69 CO 0.00 0.14 0.00 0.58 -0.34 0.00 0.00 178.44 178.82 1c20 h VAL 70 N 0.23 1.23 -0.96 1.05 2.07 -1.96 -1.28 116.25 116.64 1c20 h VAL 70 Ca 0.06 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1c20 h VAL 70 Cb -0.02 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1c20 h VAL 70 CO -0.02 0.34 0.63 0.44 0.02 0.00 0.00 177.57 178.98 1c20 h ASP 71 N 0.69 1.10 -0.40 0.57 3.32 -1.70 0.30 116.42 120.29 1c20 h ASP 71 Ca 0.14 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1c20 h ASP 71 Cb 0.42 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1c20 h ASP 71 CO 0.02 0.79 -0.36 0.58 -1.72 0.00 0.00 179.24 178.55 1c20 h VAL 72 N 1.30 1.27 0.34 -1.35 2.07 -0.66 -2.16 116.25 117.06 1c20 h VAL 72 Ca 0.35 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1c20 h VAL 72 Cb -0.15 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1c20 h VAL 72 CO -0.08 0.52 -0.17 0.40 0.02 0.00 0.00 177.57 178.27 1c20 h ILE 73 N 0.78 0.49 -1.00 4.57 2.04 -0.33 0.37 117.51 124.43 1c20 h ILE 73 Ca 0.07 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1c20 h ILE 73 Cb 0.96 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1c20 h ILE 73 CO 0.09 0.10 0.66 -0.55 0.00 0.00 0.00 178.15 178.46 1c20 h ASN 74 N -0.94 1.15 0.69 1.72 -1.07 -0.55 -0.92 115.58 115.67 1c20 h ASN 74 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.29 1c20 h ASN 74 Cb 0.52 -0.29 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 1c20 h ASN 74 CO 0.08 0.84 -0.24 0.29 0.07 0.00 0.00 177.43 178.47 1c20 n LYS 75 N -4.38 0.10 -3.37 4.14 4.76 -0.81 -4.58 118.16 114.02 1c20 n LYS 75 Ca 0.12 -0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 1c20 n LYS 75 Cb 0.01 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 31.79 1c20 n LYS 75 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1c20 n LYS 76 N -1.42 -5.15 -0.66 1.97 4.81 0.10 -4.90 118.16 112.91 1c20 n LYS 76 Ca 0.07 0.86 0.09 0.00 -0.87 0.00 0.00 58.31 58.46 1c20 n LYS 76 Cb 0.33 -5.85 0.37 0.00 0.02 0.00 0.00 35.03 29.90 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 -3.82 4.94 0.32 3.14 4.77 0.42 -4.41 117.00 122.36 1c20 n LEU 77 Ca -0.22 -2.49 0.20 0.00 -0.03 0.00 0.00 56.01 53.47 1c20 n LEU 77 Cb 0.65 -0.60 1.10 0.00 -2.33 0.00 0.00 43.42 42.24 1c20 n LEU 77 CO 0.60 0.81 1.17 -0.50 -1.33 0.00 0.00 177.39 178.14 1c20 h TRP 78 N 4.18 0.00 -1.00 -1.77 4.06 -1.91 -1.27 115.95 118.24 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 1.52 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.63 1c20 h TRP 78 CO 0.82 0.00 0.66 0.37 -3.56 0.00 0.00 178.44 176.73 1c20 h GLN 79 N 0.00 1.32 -0.84 0.49 5.75 -1.96 0.90 115.11 120.77 1c20 h GLN 79 Ca 0.01 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1c20 h GLN 79 Cb 0.14 -0.30 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 1c20 h GLN 79 CO -0.00 0.88 0.54 0.93 -2.65 0.00 0.00 178.83 178.53 1c20 h GLU 80 N 1.36 1.12 -0.37 1.69 4.39 -1.59 0.35 114.58 121.55 1c20 h GLU 80 Ca 0.37 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.82 1c20 h GLU 80 Cb -0.15 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.24 1c20 h GLU 80 CO -0.08 0.76 -0.41 0.82 -1.16 0.00 0.00 179.01 178.94 1c20 h ILE 81 N 1.15 1.27 -0.81 3.13 2.04 -1.40 -3.01 117.51 119.88 1c20 h ILE 81 Ca 0.31 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 1c20 h ILE 81 Cb -0.10 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1c20 h ILE 81 CO -0.06 0.53 0.34 0.40 0.00 0.00 0.00 178.15 179.36 1c20 h ILE 82 N 0.75 1.26 -1.00 -0.67 2.04 -0.32 -2.36 117.51 117.21 1c20 h ILE 82 Ca 0.05 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.12 1c20 h ILE 82 Cb 1.02 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1c20 h ILE 82 CO 0.10 0.33 0.66 0.50 0.00 0.00 0.00 178.15 179.75 1c20 h LYS 83 N 1.18 1.31 0.00 2.37 3.64 -0.85 -0.75 116.57 123.47 1c20 h LYS 83 Ca 0.27 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1c20 h LYS 83 Cb 0.20 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1c20 h LYS 83 CO -0.03 0.87 -0.24 0.78 -2.27 0.00 0.00 179.45 178.56 1c20 h GLY 84 N 1.35 0.00 -3.49 5.01 0.00 -1.31 -2.46 103.07 102.18 1c20 h GLY 84 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.30 1c20 h GLY 84 CO -0.08 0.00 0.50 1.04 0.00 0.00 0.00 176.54 178.00 1c20 n LEU 85 N -4.10 6.24 -0.04 3.11 7.99 -0.29 -4.97 117.00 124.95 1c20 n LEU 85 Ca -0.02 -3.29 0.00 0.00 -0.01 0.00 0.00 56.01 52.69 1c20 n LEU 85 Cb 0.31 -0.90 0.00 0.00 -0.11 0.00 0.00 43.42 42.72 1c20 n LEU 85 CO 0.36 1.11 0.00 1.41 -1.51 0.00 0.00 177.39 178.76 1c20 n HIS 86 N -0.27 0.00 -1.64 -1.77 8.25 -0.93 -4.79 115.22 114.07 1c20 n HIS 86 Ca 0.40 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.52 1c20 n HIS 86 Cb 0.88 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.05 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 0.00 3.34 0.00 2.41 2.01 -1.26 -4.97 118.68 120.21 1c20 s LEU 87 Ca 0.00 2.06 0.00 0.00 0.01 0.00 0.00 54.13 56.20 1c20 s LEU 87 Cb 0.00 -4.56 0.00 0.00 0.01 0.00 0.00 46.19 41.64 1c20 s LEU 87 CO 0.00 -1.81 0.75 -0.81 1.01 0.00 0.00 176.35 175.49 1c20 n PRO 88 N -2.58 0.00 0.00 1.29 -0.04 -1.26 -4.83 135.00 127.58 1c20 n PRO 88 Ca 0.11 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1c20 n PRO 88 Cb 0.52 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1c20 n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1c20 n SER 89 N -1.50 0.00 -2.97 3.54 7.64 -1.26 -5.04 113.62 114.03 1c20 n SER 89 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1c20 n SER 89 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1c20 n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1c20 n SER 90 N 0.00 -1.26 -4.55 6.43 7.64 -1.26 -5.06 113.62 115.55 1c20 n SER 90 Ca 0.00 -3.06 -0.14 0.00 1.01 0.00 0.00 58.87 56.68 1c20 n SER 90 Cb 0.00 0.61 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 1c20 n SER 90 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1c20 n ILE 91 N 1.32 0.00 0.00 0.44 2.08 -1.26 -4.87 119.36 117.07 1c20 n ILE 91 Ca 0.15 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.96 1c20 n ILE 91 Cb 0.60 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 1c20 n ILE 91 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1c20 n THR 92 N 8.48 0.00 -0.23 1.39 5.66 -1.26 -4.64 114.28 123.68 1c20 n THR 92 Ca 0.49 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.48 1c20 n THR 92 Cb 0.40 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.16 1c20 n THR 92 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1c20 n SER 93 N 0.00 1.92 0.03 1.09 3.41 -1.26 -4.30 113.62 114.51 1c20 n SER 93 Ca 0.00 -1.61 -0.12 0.00 -0.26 0.00 0.00 58.87 56.88 1c20 n SER 93 Cb 0.00 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.45 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c20 h ALA 94 N 3.49 0.02 0.10 7.33 0.00 -1.93 0.68 119.26 128.95 1c20 h ALA 94 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c20 h ALA 94 Cb 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1c20 h ALA 94 CO 0.12 -0.48 -0.06 0.00 0.00 0.00 0.00 179.25 178.82 1c20 h ALA 95 N 1.00 -0.15 -0.96 0.00 0.00 -1.95 0.14 119.26 117.35 1c20 h ALA 95 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1c20 h ALA 95 Cb -0.00 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1c20 h ALA 95 CO -0.00 -0.58 0.58 0.35 0.00 0.00 0.00 179.25 179.59 1c20 h PHE 96 N -0.15 1.26 -0.57 0.00 3.57 -1.85 -2.47 116.94 116.72 1c20 h PHE 96 Ca -0.01 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1c20 h PHE 96 Cb 0.12 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1c20 h PHE 96 CO -0.08 0.83 -0.01 1.15 -2.23 0.00 0.00 178.31 177.97 1c20 h THR 97 N 1.32 1.27 0.03 4.41 2.02 0.82 -2.79 112.91 119.99 1c20 h THR 97 Ca 0.34 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1c20 h THR 97 Cb -0.06 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1c20 h THR 97 CO -0.06 0.41 -0.01 -0.07 0.37 0.00 0.00 175.52 176.15 1c20 h LEU 98 N 0.90 -0.03 -1.00 2.58 3.38 -0.65 -3.01 115.31 117.47 1c20 h LEU 98 Ca 0.16 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1c20 h LEU 98 Cb 0.56 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1c20 h LEU 98 CO 0.03 0.22 0.65 0.08 0.09 0.00 0.00 178.44 179.51 1c20 h ARG 99 N -0.29 1.32 -0.68 1.13 0.11 -1.47 -2.82 114.38 111.68 1c20 h ARG 99 Ca -0.00 -0.09 -0.08 0.00 0.10 0.00 0.00 59.98 59.91 1c20 h ARG 99 Cb 0.27 -0.29 -0.03 0.00 1.11 0.00 0.00 29.97 31.03 1c20 h ARG 99 CO 0.01 0.88 0.11 0.00 0.10 0.00 0.00 179.97 181.07 1c20 h THR 100 N 1.36 1.26 -0.31 0.08 1.03 -1.48 -0.91 112.91 113.94 1c20 h THR 100 Ca 0.36 -1.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 1c20 h THR 100 Cb -0.14 0.62 -0.02 0.00 -1.07 0.00 0.00 68.15 67.54 1c20 h THR 100 CO -0.08 0.39 0.21 1.56 -0.01 0.00 0.00 175.52 177.59 1c20 h GLN 101 N 1.05 0.41 -0.51 0.00 4.20 -1.37 -0.31 115.11 118.58 1c20 h GLN 101 Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1c20 h GLN 101 Cb 0.44 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1c20 h GLN 101 CO 0.01 0.28 0.34 -0.92 -0.67 0.00 0.00 178.83 177.87 1c20 h TYR 102 N 0.42 0.64 -0.97 2.96 5.03 -1.30 -2.59 116.97 121.16 1c20 h TYR 102 Ca 0.11 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1c20 h TYR 102 Cb -0.04 -0.22 -0.05 0.00 1.55 0.00 0.00 36.73 37.97 1c20 h TYR 102 CO -0.05 0.40 0.60 1.98 -1.32 0.00 0.00 178.16 179.77 1c20 h MET 103 N 0.69 1.30 -0.36 1.82 4.05 -0.55 0.56 114.93 122.44 1c20 h MET 103 Ca 0.19 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1c20 h MET 103 Cb -0.08 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 30.43 1c20 h MET 103 CO -0.04 0.90 0.22 -0.22 0.23 0.00 0.00 176.91 177.99 1c20 h LYS 104 N 1.33 0.49 0.00 0.39 1.63 -0.66 -3.32 116.57 116.43 1c20 h LYS 104 Ca 0.35 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 1c20 h LYS 104 Cb -0.08 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1c20 h LYS 104 CO -0.07 0.38 -0.63 0.66 -3.45 0.00 0.00 179.45 176.34 1c20 n TYR 105 N -4.79 0.00 0.80 1.91 4.01 -1.18 -4.78 117.16 113.13 1c20 n TYR 105 Ca -0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.83 1c20 n TYR 105 Cb 0.06 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.22 2.62 -0.07 7.72 4.77 0.19 -4.34 117.00 126.67 1c20 n LEU 106 Ca 0.00 -1.00 -0.14 0.00 -0.03 0.00 0.00 56.01 54.84 1c20 n LEU 106 Cb 0.00 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1c20 n LEU 106 CO 0.00 0.45 0.46 0.22 -1.33 0.00 0.00 177.39 177.19 1c20 h TYR 107 N 3.80 1.05 0.00 -1.77 5.03 -1.53 -2.22 116.97 121.33 1c20 h TYR 107 Ca 0.00 -0.36 -0.21 0.00 2.58 0.00 0.00 58.73 60.74 1c20 h TYR 107 Cb 0.81 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 1c20 h TYR 107 CO 0.00 1.18 -0.91 -1.00 -1.32 0.00 0.00 178.16 176.11 1c20 h PRO 108 N 0.65 0.28 0.39 1.82 0.14 -1.87 -2.16 132.00 131.26 1c20 h PRO 108 Ca 0.02 -0.31 -0.02 0.00 0.14 0.00 0.00 66.00 65.83 1c20 h PRO 108 Cb 1.12 0.09 0.00 0.00 0.14 0.00 0.00 31.00 32.35 1c20 h PRO 108 CO 0.12 1.02 -0.19 -0.92 0.14 0.00 0.00 178.00 178.17 1c20 h TYR 109 N 0.16 -0.49 -0.19 1.56 3.20 -1.75 0.54 116.97 120.01 1c20 h TYR 109 Ca -0.06 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1c20 h TYR 109 Cb 1.54 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.95 1c20 h TYR 109 CO 0.04 -0.16 0.03 1.49 -1.64 0.00 0.00 178.16 177.92 1c20 h GLU 110 N -0.88 0.09 -0.61 1.82 4.81 -1.51 0.15 114.58 118.46 1c20 h GLU 110 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1c20 h GLU 110 Cb 0.55 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1c20 h GLU 110 CO 0.09 0.06 0.37 0.00 -0.73 0.00 0.00 179.01 178.80 1c20 h GLU 112 N 0.83 0.47 -0.49 0.00 4.57 0.56 2.21 114.58 122.73 1c20 h GLU 112 Ca 0.22 -0.24 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1c20 h GLU 112 Cb -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1c20 h GLU 112 CO -0.04 0.80 -0.22 0.87 -1.18 0.00 0.00 179.01 179.25 1c20 h LYS 113 N 0.14 1.01 0.00 1.92 1.79 -0.59 -3.38 116.57 117.46 1c20 h LYS 113 Ca 0.03 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1c20 h LYS 113 Cb 0.71 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1c20 h LYS 113 CO 0.04 1.11 -0.69 1.63 -1.08 0.00 0.00 179.45 180.46 1c20 n LYS 114 N -4.11 1.81 -3.80 3.15 5.02 0.16 -5.03 118.16 115.36 1c20 n LYS 114 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1c20 n LYS 114 Cb 0.46 -0.83 0.01 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.18 -1.59 -0.38 4.39 4.05 0.75 -4.83 115.26 116.47 1c20 n ASN 115 Ca 0.00 -0.94 -0.02 0.00 0.45 0.00 0.00 54.58 54.07 1c20 n ASN 115 Cb 0.00 -3.50 0.11 0.00 1.23 0.00 0.00 39.78 37.61 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1c20 h LEU 116 N -1.85 1.15 0.00 1.20 3.38 -1.78 -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 1.37 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1c20 h LEU 116 CO 0.57 0.83 0.00 -1.54 0.09 0.00 0.00 178.44 178.40 1c20 n SER 117 N -4.39 0.00 -4.24 -0.43 3.41 -1.26 -5.13 113.62 101.58 1c20 n SER 117 Ca 0.12 -0.90 -0.19 0.00 -0.26 0.00 0.00 58.87 57.63 1c20 n SER 117 Cb 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1c20 n SER 117 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1c20 s THR 118 N -2.70 1.40 0.48 6.66 -4.23 -1.26 -5.01 115.64 110.98 1c20 s THR 118 Ca 0.00 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 59.10 1c20 s THR 118 Cb 0.00 -1.46 0.21 0.00 1.34 0.00 0.00 72.50 72.58 1c20 s THR 118 CO 0.00 -0.30 1.60 -0.65 -0.54 0.00 0.00 174.62 174.73 1c20 h PRO 119 N 3.77 0.00 0.50 3.99 0.10 -2.02 -2.03 132.00 136.30 1c20 h PRO 119 Ca -0.41 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.66 1c20 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.30 1c20 h PRO 119 CO 0.46 0.00 -0.24 0.00 0.10 0.00 0.00 178.00 178.32 1c20 h ALA 120 N 1.08 -0.67 0.00 -0.75 0.00 -2.01 -2.63 119.26 114.29 1c20 h ALA 120 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1c20 h ALA 120 Cb 0.85 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1c20 h ALA 120 CO 0.00 -0.67 -0.10 1.05 0.00 0.00 0.00 179.25 179.53 1c20 h GLU 121 N -1.08 0.00 -0.77 0.00 -0.00 -1.81 -2.04 114.58 108.89 1c20 h GLU 121 Ca -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.25 1c20 h GLU 121 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.30 1c20 h GLU 121 CO 0.11 0.10 0.33 1.25 -0.00 0.00 0.00 179.01 180.80 1c20 h LEU 122 N 0.00 1.05 -1.02 3.06 5.85 -1.31 -1.68 115.31 121.27 1c20 h LEU 122 Ca -0.00 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1c20 h LEU 122 Cb 0.40 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1c20 h LEU 122 CO 0.01 0.92 0.67 1.56 -0.34 0.00 0.00 178.44 181.26 1c20 h GLN 123 N 1.11 1.32 -0.77 1.25 1.08 -0.99 0.32 115.11 118.44 1c20 h GLN 123 Ca 0.26 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1c20 h GLN 123 Cb 0.18 -0.30 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 1c20 h GLN 123 CO -0.03 0.88 0.51 0.00 -0.95 0.00 0.00 178.83 179.24 1c20 h ALA 124 N 1.37 0.97 -0.55 3.87 0.00 -1.32 0.96 119.26 124.57 1c20 h ALA 124 Ca 0.37 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1c20 h ALA 124 Cb -0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1c20 h ALA 124 CO -0.08 0.39 0.06 0.00 0.00 0.00 0.00 179.25 179.61 1c20 h ALA 125 N 1.28 0.74 -0.36 0.00 0.00 -0.41 1.16 119.26 121.66 1c20 h ALA 125 Ca 0.28 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1c20 h ALA 125 Cb -0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1c20 h ALA 125 CO -0.06 0.51 -0.43 0.82 0.00 0.00 0.00 179.25 180.09 1c20 h ILE 126 N 0.82 1.27 -1.00 0.00 2.04 0.48 -0.96 117.51 120.17 1c20 h ILE 126 Ca 0.16 -1.60 0.29 0.00 1.00 0.00 0.00 64.86 64.71 1c20 h ILE 126 Cb 0.46 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1c20 h ILE 126 CO 0.02 0.53 0.72 0.44 0.00 0.00 0.00 178.15 179.86 1c20 h ASP 127 N 0.73 0.00 0.00 1.72 3.32 0.11 -3.42 116.42 118.88 1c20 h ASP 127 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1c20 h ASP 127 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1c20 h ASP 127 CO 0.10 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 1c20 n GLY 128 N -1.73 -0.17 2.41 2.75 0.00 -1.06 -4.75 105.19 102.64 1c20 n GLY 128 Ca 0.21 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1c20 n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c20 n ASN 129 N 0.00 -5.26 0.00 1.61 5.03 -0.39 -4.98 115.26 111.27 1c20 n ASN 129 Ca 0.00 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1c20 n ASN 129 Cb 0.00 -4.41 0.00 0.00 -1.02 0.00 0.00 39.78 34.35 1c20 n ASN 129 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29