#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 3.36 -0.29 1.61 -0.11 -1.26 -4.98 118.94 117.27 1c20 s TRP 4 Ca 0.00 1.59 -0.23 0.00 1.22 0.00 0.00 56.10 58.68 1c20 s TRP 4 Cb 0.00 -3.44 -0.00 0.00 -1.50 0.00 0.00 33.47 28.52 1c20 s TRP 4 CO 0.00 -1.08 0.74 -1.54 -4.62 0.00 0.00 176.95 170.45 1c20 s SER 5 N -0.73 6.65 0.19 5.86 1.04 -1.26 -4.93 113.70 120.51 1c20 s SER 5 Ca 0.46 0.68 -0.09 0.00 0.48 0.00 0.00 55.95 57.49 1c20 s SER 5 Cb -0.35 -2.39 0.08 0.00 0.10 0.00 0.00 66.02 63.46 1c20 s SER 5 CO 0.46 -0.54 1.66 -0.26 0.98 0.00 0.00 173.24 175.53 1c20 h PHE 6 N 8.03 1.19 -0.12 5.02 -1.00 -2.00 -2.55 116.94 125.51 1c20 h PHE 6 Ca -0.25 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.32 1c20 h PHE 6 Cb 1.10 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 40.34 1c20 h PHE 6 CO 0.77 1.02 -0.00 1.05 -1.61 0.00 0.00 178.31 179.54 1c20 h GLU 7 N 1.01 0.16 -0.78 1.51 4.11 -2.01 -1.15 114.58 117.44 1c20 h GLU 7 Ca 0.19 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.57 1c20 h GLU 7 Cb 0.52 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1c20 h GLU 7 CO 0.03 0.18 0.37 1.49 0.07 0.00 0.00 179.01 181.15 1c20 h GLU 8 N 0.16 1.11 0.00 1.06 4.81 -1.86 0.14 114.58 120.00 1c20 h GLU 8 Ca 0.04 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1c20 h GLU 8 Cb 0.12 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1c20 h GLU 8 CO 0.00 0.86 0.00 1.96 -0.73 0.00 0.00 179.01 181.10 1c20 h GLN 9 N 1.11 0.00 0.49 1.92 4.20 -1.17 -3.13 115.11 118.52 1c20 h GLN 9 Ca 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1c20 h GLN 9 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1c20 h GLN 9 CO -0.03 0.00 -0.23 0.35 -0.67 0.00 0.00 178.83 178.24 1c20 h PHE 10 N 0.00 -0.60 0.00 2.96 3.04 -0.42 -2.85 116.94 119.07 1c20 h PHE 10 Ca 0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1c20 h PHE 10 Cb 0.38 0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1c20 h PHE 10 CO 0.00 -0.28 -0.00 1.57 -2.02 0.00 0.00 178.31 177.58 1c20 h LYS 11 N -0.96 0.00 -0.16 1.11 2.10 -1.51 0.11 116.57 117.26 1c20 h LYS 11 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1c20 h LYS 11 Cb 0.60 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1c20 h LYS 11 CO 0.11 0.00 0.10 1.96 -2.00 0.00 0.00 179.45 179.63 1c20 h GLN 12 N 0.00 0.20 -0.15 0.07 4.20 -1.46 -1.58 115.11 116.40 1c20 h GLN 12 Ca -0.00 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 1c20 h GLN 12 Cb 0.01 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1c20 h GLN 12 CO 0.00 0.13 -0.72 -0.24 -0.67 0.00 0.00 178.83 177.33 1c20 h VAL 13 N 0.21 1.31 -0.13 -0.54 3.04 -0.76 -2.83 116.25 116.55 1c20 h VAL 13 Ca 0.06 -1.98 0.03 0.00 -1.01 0.00 0.00 66.70 63.79 1c20 h VAL 13 Cb -0.02 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 1c20 h VAL 13 CO -0.01 0.62 -0.03 -0.09 -1.01 0.00 0.00 177.57 177.05 1c20 h ARG 14 N 0.46 0.00 -0.00 4.17 9.65 -1.23 0.01 114.38 127.44 1c20 h ARG 14 Ca -0.03 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1c20 h ARG 14 Cb 1.32 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1c20 h ARG 14 CO 0.14 0.00 0.00 -0.56 2.80 0.00 0.00 179.97 182.36 1c20 h GLN 15 N 0.00 0.00 -0.45 0.20 3.07 -1.49 -1.02 115.11 115.42 1c20 h GLN 15 Ca 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.66 1c20 h GLN 15 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 1c20 h GLN 15 CO -0.13 0.00 -0.28 -0.07 0.09 0.00 0.00 178.83 178.44 1c20 h LEU 16 N 0.00 1.02 -0.87 0.06 3.38 -0.76 -2.77 115.31 115.37 1c20 h LEU 16 Ca 0.00 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1c20 h LEU 16 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1c20 h LEU 16 CO -0.00 1.22 -0.42 1.88 0.09 0.00 0.00 178.44 181.22 1c20 h TYR 17 N 0.83 0.36 0.00 1.13 0.05 -0.39 -2.74 116.97 116.21 1c20 h TYR 17 Ca 0.09 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1c20 h TYR 17 Cb 0.87 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1c20 h TYR 17 CO 0.06 0.68 0.00 0.39 -1.05 0.00 0.00 178.16 178.24 1c20 n GLU 18 N -4.02 0.94 -0.37 4.88 -0.58 -0.57 -3.92 120.64 117.00 1c20 n GLU 18 Ca -0.02 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.76 1c20 n GLU 18 Cb 0.49 -1.12 0.19 0.00 -0.57 0.00 0.00 31.44 30.43 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 1.04 -2.69 -3.67 2.04 -1.31 -3.46 117.51 109.46 1c20 h ILE 19 Ca 0.00 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.57 1c20 h ILE 19 Cb 0.00 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.87 1c20 h ILE 19 CO 0.00 0.21 0.47 0.20 0.00 0.00 0.00 178.15 179.02 1c20 s ASN 20 N -5.84 -0.01 0.00 1.72 0.01 -1.25 -5.01 114.94 104.56 1c20 s ASN 20 Ca -0.12 -0.82 0.17 0.00 -0.71 0.00 0.00 52.86 51.37 1c20 s ASN 20 Cb 0.21 0.62 0.54 0.00 0.41 0.00 0.00 41.25 43.03 1c20 s ASN 20 CO 0.81 -1.23 1.41 -0.90 -1.51 0.00 0.00 177.10 175.68 1c20 n ASP 21 N -1.24 1.97 -4.50 -1.22 5.75 -1.26 -4.90 116.55 111.15 1c20 n ASP 21 Ca -0.05 -1.86 -0.50 0.00 -0.01 0.00 0.00 54.79 52.37 1c20 n ASP 21 Cb 0.60 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.43 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1c20 n ASP 22 N 0.54 2.39 -0.22 -1.12 5.68 -1.26 -4.83 116.55 117.73 1c20 n ASP 22 Ca 0.15 0.48 -0.06 0.00 -0.50 0.00 0.00 54.79 54.86 1c20 n ASP 22 Cb 0.34 -1.30 0.09 0.00 -1.14 0.00 0.00 41.12 39.11 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1c20 h PRO 23 N 12.06 1.06 -0.67 0.11 0.14 -2.00 -2.77 132.00 139.93 1c20 h PRO 23 Ca -0.32 -0.25 0.01 0.00 0.14 0.00 0.00 66.00 65.58 1c20 h PRO 23 Cb 1.31 -0.14 -0.03 0.00 0.14 0.00 0.00 31.00 32.27 1c20 h PRO 23 CO 1.00 0.94 0.44 0.87 0.14 0.00 0.00 178.00 181.40 1c20 h LYS 24 N 1.01 0.88 -0.53 0.86 1.57 -1.98 0.22 116.57 118.60 1c20 h LYS 24 Ca 0.21 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1c20 h LYS 24 Cb 0.36 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1c20 h LYS 24 CO 0.00 0.58 0.35 -0.09 -0.57 0.00 0.00 179.45 179.73 1c20 h ARG 25 N 0.91 0.70 -0.59 3.15 2.43 -1.91 0.65 114.38 119.71 1c20 h ARG 25 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1c20 h ARG 25 Cb -0.10 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1c20 h ARG 25 CO -0.05 0.46 0.39 0.87 -1.51 0.00 0.00 179.97 180.13 1c20 h LYS 26 N 0.72 0.79 -0.47 0.20 1.57 -1.07 0.46 116.57 118.77 1c20 h LYS 26 Ca 0.20 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1c20 h LYS 26 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1c20 h LYS 26 CO -0.04 0.53 0.10 1.49 -0.57 0.00 0.00 179.45 180.96 1c20 h GLU 27 N 0.81 0.77 -0.07 3.15 4.57 0.35 -1.47 114.58 122.68 1c20 h GLU 27 Ca 0.22 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1c20 h GLU 27 Cb -0.08 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1c20 h GLU 27 CO -0.05 0.76 0.05 0.35 -1.18 0.00 0.00 179.01 178.94 1c20 h PHE 28 N 0.64 0.09 -0.80 0.92 3.57 0.85 -0.85 116.94 121.36 1c20 h PHE 28 Ca 0.15 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1c20 h PHE 28 Cb 0.34 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1c20 h PHE 28 CO 0.02 0.06 0.53 -0.07 -2.23 0.00 0.00 178.31 176.62 1c20 h LEU 29 N 0.10 0.91 -1.00 0.59 3.38 -0.79 0.55 115.31 119.05 1c20 h LEU 29 Ca 0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1c20 h LEU 29 Cb -0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1c20 h LEU 29 CO -0.01 0.66 0.66 0.44 0.09 0.00 0.00 178.44 180.28 1c20 h ASP 30 N 1.08 1.14 0.16 -0.43 3.32 -0.82 -0.07 116.42 120.81 1c20 h ASP 30 Ca 0.30 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1c20 h ASP 30 Cb -0.11 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.16 1c20 h ASP 30 CO -0.07 0.83 -0.08 0.44 -1.72 0.00 0.00 179.24 178.64 1c20 h ASP 31 N 1.35 -0.18 0.55 6.45 3.32 -0.10 -0.96 116.42 126.85 1c20 h ASP 31 Ca 0.37 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1c20 h ASP 31 Cb -0.15 0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.45 1c20 h ASP 31 CO -0.08 0.33 -0.26 0.25 -1.72 0.00 0.00 179.24 177.76 1c20 h LEU 32 N -0.78 -0.62 -1.01 1.55 5.85 -0.85 -1.05 115.31 118.40 1c20 h LEU 32 Ca -0.02 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 32 Cb 0.53 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1c20 h LEU 32 CO 0.04 -0.45 0.66 -0.26 -0.34 0.00 0.00 178.44 178.09 1c20 h PHE 33 N -0.74 1.26 -0.48 1.25 -1.00 -1.13 -2.49 116.94 113.61 1c20 h PHE 33 Ca -0.08 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.74 1c20 h PHE 33 Cb 0.57 -0.43 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1c20 h PHE 33 CO -0.04 0.80 0.32 0.77 -1.61 0.00 0.00 178.31 178.55 1c20 h SER 34 N 1.36 0.55 0.59 2.17 0.02 -0.89 0.21 113.55 117.58 1c20 h SER 34 Ca 0.37 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1c20 h SER 34 Cb -0.16 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.25 1c20 h SER 34 CO -0.08 0.40 -0.29 0.15 -1.14 0.00 0.00 176.83 175.87 1c20 h PHE 35 N 0.66 -0.75 0.00 3.45 3.57 -0.76 -1.97 116.94 121.14 1c20 h PHE 35 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1c20 h PHE 35 Cb -0.07 0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1c20 h PHE 35 CO -0.04 -0.46 0.00 0.00 -2.23 0.00 0.00 178.31 175.57 1c20 n MET 36 N -5.44 0.09 0.00 1.11 0.00 -1.03 -2.92 117.12 108.94 1c20 n MET 36 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1c20 n MET 36 Cb 0.33 -1.69 0.01 0.00 0.00 0.00 0.00 33.22 31.87 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 -1.86 0.00 -0.28 3.17 7.27 0.73 -2.03 117.38 124.39 1c20 n GLN 37 Ca 0.02 0.34 0.09 0.00 0.07 0.00 0.00 57.00 57.52 1c20 n GLN 37 Cb 0.16 -1.67 0.23 0.00 2.41 0.00 0.00 30.24 31.37 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 0.26 -0.35 3.69 3.64 -1.70 0.75 116.57 122.85 1c20 h LYS 38 Ca 0.00 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1c20 h LYS 38 Cb 0.33 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1c20 h LYS 38 CO 0.00 0.17 -0.44 0.00 -2.27 0.00 0.00 179.45 176.92 1c20 h ARG 39 N 0.27 0.91 0.00 1.90 2.47 -1.74 -3.47 114.38 114.73 1c20 h ARG 39 Ca 0.48 -0.51 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1c20 h ARG 39 Cb 0.89 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1c20 h ARG 39 CO -0.56 1.16 0.00 0.41 0.56 0.00 0.00 179.97 181.53 1c20 n GLY 40 N 0.20 0.46 3.64 0.04 0.00 0.26 -5.09 105.19 104.71 1c20 n GLY 40 Ca -0.03 0.00 -0.26 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 3.55 0.00 2.61 -4.23 -1.26 -5.01 115.64 109.30 1c20 s THR 41 Ca 0.00 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1c20 s THR 41 Cb 0.00 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1c20 s THR 41 CO 0.00 -0.16 0.00 -0.81 -0.54 0.00 0.00 174.62 173.11 1c20 n PRO 42 N -0.25 2.03 0.00 3.99 -0.04 -1.26 -4.77 135.00 134.70 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 -0.40 0.00 -0.07 0.52 0.13 -1.26 -5.00 119.36 113.28 1c20 n ILE 43 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.61 1c20 n ILE 43 Cb 0.00 -0.26 -0.02 0.00 -0.84 0.00 0.00 39.64 38.52 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 -5.00 9.51 -1.24 -1.94 -3.49 115.58 113.42 1c20 h ASN 44 Ca 0.00 -0.06 -0.09 0.00 0.71 0.00 0.00 56.30 56.85 1c20 h ASN 44 Cb 0.00 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 38.86 1c20 h ASN 44 CO 0.00 0.72 -0.09 -0.60 -1.29 0.00 0.00 177.43 176.16 1c20 s ARG 45 N -2.01 0.83 -0.42 6.67 3.52 -1.26 -5.08 118.95 121.20 1c20 s ARG 45 Ca -0.11 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 1c20 s ARG 45 Cb 0.01 0.38 0.15 0.00 -1.56 0.00 0.00 34.95 33.93 1c20 s ARG 45 CO 0.18 -0.25 0.27 -0.51 -0.81 0.00 0.00 175.30 174.18 1c20 s LEU 46 N -1.36 1.87 0.41 -0.88 1.43 -1.26 -5.12 118.68 113.78 1c20 s LEU 46 Ca -0.12 -2.65 -0.27 0.00 -1.03 0.00 0.00 54.13 50.06 1c20 s LEU 46 Cb -0.03 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.41 1c20 s LEU 46 CO 0.06 -0.25 1.46 -2.84 0.23 0.00 0.00 176.35 175.01 1c20 s PRO 47 N 0.43 3.91 -0.23 1.29 0.02 -1.26 -4.80 135.00 134.36 1c20 s PRO 47 Ca 0.22 2.51 -0.19 0.00 0.02 0.00 0.00 61.00 63.56 1c20 s PRO 47 Cb -0.15 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1c20 s PRO 47 CO -0.06 -0.67 0.55 0.42 -0.33 0.00 0.00 177.00 176.92 1c20 s ILE 48 N -1.16 5.06 -0.56 2.83 -1.09 -1.26 -2.92 121.20 122.11 1c20 s ILE 48 Ca 0.56 0.99 -0.25 0.00 -2.23 0.00 0.00 60.65 59.73 1c20 s ILE 48 Cb -0.45 -3.87 0.04 0.00 -1.58 0.00 0.00 42.46 36.60 1c20 s ILE 48 CO 0.60 0.11 1.00 -0.04 -1.23 0.00 0.00 174.94 175.38 1c20 s MET 49 N 2.04 3.38 0.00 2.79 -1.94 0.46 -4.85 119.30 121.18 1c20 s MET 49 Ca 0.24 -0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1c20 s MET 49 Cb -0.16 -4.04 0.00 0.00 2.01 0.00 0.00 34.83 32.64 1c20 s MET 49 CO 0.09 -1.52 0.00 0.00 -0.01 0.00 0.00 175.02 173.58 1c20 n ALA 50 N 7.68 0.00 -0.00 3.03 0.00 -1.26 0.21 120.51 130.17 1c20 n ALA 50 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.52 1c20 n ALA 50 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 0.29 -3.75 0.00 4.81 -1.26 -5.01 118.16 113.24 1c20 n LYS 51 Ca 0.00 -0.08 -0.28 0.00 -0.87 0.00 0.00 58.31 57.08 1c20 n LYS 51 Cb 0.00 -1.21 -0.03 0.00 0.02 0.00 0.00 35.03 33.80 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1c20 s SER 52 N -3.04 6.38 -0.10 3.14 0.01 0.56 -5.10 113.70 115.55 1c20 s SER 52 Ca -0.03 0.36 -0.04 0.00 1.31 0.00 0.00 55.95 57.55 1c20 s SER 52 Cb 0.06 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1c20 s SER 52 CO 0.38 -0.01 0.06 -0.69 0.41 0.00 0.00 173.24 173.39 1c20 s VAL 53 N -1.82 4.84 -0.52 3.43 1.01 -1.26 0.17 120.40 126.26 1c20 s VAL 53 Ca 0.38 -0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 1c20 s VAL 53 Cb -0.11 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 1c20 s VAL 53 CO 0.29 0.61 2.42 -0.11 0.00 0.00 0.00 175.10 178.31 1c20 n LEU 54 N 2.10 2.27 -4.64 3.92 7.94 -1.15 -4.85 117.00 122.59 1c20 n LEU 54 Ca -0.19 -0.59 -0.43 0.00 -1.11 0.00 0.00 56.01 53.69 1c20 n LEU 54 Cb 0.54 -1.59 -0.02 0.00 0.53 0.00 0.00 43.42 42.87 1c20 n LEU 54 CO 0.30 -1.67 1.28 -0.62 -1.11 0.00 0.00 177.39 175.57 1c20 s ASP 55 N 12.18 6.59 0.31 1.96 -1.08 -1.26 -4.88 116.67 130.50 1c20 s ASP 55 Ca 0.98 1.72 -0.01 0.00 -0.52 0.00 0.00 52.55 54.72 1c20 s ASP 55 Cb -0.17 -2.53 0.49 0.00 -1.46 0.00 0.00 42.92 39.24 1c20 s ASP 55 CO 0.25 -1.06 1.98 -0.07 0.52 0.00 0.00 175.17 176.78 1c20 h LEU 56 N 10.86 0.89 -0.86 -1.34 3.38 -2.01 -2.06 115.31 124.17 1c20 h LEU 56 Ca -0.33 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.77 1c20 h LEU 56 Cb 1.14 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1c20 h LEU 56 CO 0.99 0.65 0.45 0.22 0.09 0.00 0.00 178.44 180.83 1c20 h TYR 57 N 1.05 0.78 -0.43 1.13 5.03 -2.00 -0.42 116.97 122.12 1c20 h TYR 57 Ca 0.28 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.63 1c20 h TYR 57 Cb -0.12 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 1c20 h TYR 57 CO 0.00 0.18 0.29 1.49 -1.32 0.00 0.00 178.16 178.80 1c20 h GLU 58 N 0.63 0.57 -0.33 1.82 4.81 -1.77 -1.00 114.58 119.31 1c20 h GLU 58 Ca 0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1c20 h GLU 58 Cb 0.68 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1c20 h GLU 58 CO -0.37 0.38 0.21 1.25 -0.73 0.00 0.00 179.01 179.75 1c20 h LEU 59 N 0.59 0.37 -0.00 1.64 5.85 -1.13 -2.36 115.31 120.26 1c20 h LEU 59 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1c20 h LEU 59 Cb -0.07 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1c20 h LEU 59 CO -0.04 0.27 0.00 0.22 -0.34 0.00 0.00 178.44 178.55 1c20 h TYR 60 N 0.44 0.00 -0.88 1.25 3.20 -0.75 -1.19 116.97 119.04 1c20 h TYR 60 Ca 0.12 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1c20 h TYR 60 Cb -0.05 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1c20 h TYR 60 CO -0.06 0.00 0.58 -0.91 -1.64 0.00 0.00 178.16 176.14 1c20 h ASN 61 N 0.00 1.00 -0.76 -2.11 2.35 -1.09 -1.67 115.58 113.30 1c20 h ASN 61 Ca 0.00 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1c20 h ASN 61 Cb 0.00 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1c20 h ASN 61 CO -0.00 0.73 0.26 -0.07 -1.65 0.00 0.00 177.43 176.70 1c20 h LEU 62 N 1.19 1.09 0.00 1.61 3.38 -1.22 0.49 115.31 121.86 1c20 h LEU 62 Ca 0.32 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1c20 h LEU 62 Cb -0.14 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.33 1c20 h LEU 62 CO -0.07 1.00 -0.00 0.58 0.09 0.00 0.00 178.44 180.03 1c20 h VAL 63 N 1.13 1.02 -0.43 1.22 2.07 -0.40 -2.84 116.25 118.02 1c20 h VAL 63 Ca 0.25 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.56 1c20 h VAL 63 Cb 0.28 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1c20 h VAL 63 CO -0.01 0.02 -0.32 0.40 0.02 0.00 0.00 177.57 177.67 1c20 h ILE 64 N -0.03 1.27 0.00 4.57 1.08 -1.19 -2.39 117.51 120.82 1c20 h ILE 64 Ca -0.00 -1.49 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1c20 h ILE 64 Cb 0.03 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1c20 h ILE 64 CO 0.00 0.51 0.25 0.00 -0.69 0.00 0.00 178.15 178.22 1c20 h ALA 65 N 0.81 1.19 -0.73 1.87 0.00 -0.69 0.66 119.26 122.37 1c20 h ALA 65 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1c20 h ALA 65 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1c20 h ALA 65 CO 0.09 -0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.68 1c20 n ARG 66 N -2.27 2.72 0.00 0.00 5.12 -0.92 -4.92 116.66 116.39 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 0.28 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 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 1.67 2.11 0.00 -0.13 0.00 0.23 -4.69 105.19 104.38 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 -1.95 4.45 0.16 -0.02 0.00 -1.12 -4.76 105.19 101.95 1c20 n GLY 68 Ca 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 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 0.40 -1.04 0.99 5.85 -1.94 -0.61 115.31 118.96 1c20 h LEU 69 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 69 Cb 0.00 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1c20 h LEU 69 CO 0.00 0.29 0.64 0.58 -0.34 0.00 0.00 178.44 179.61 1c20 h VAL 70 N 0.47 1.25 -0.98 1.05 2.07 -1.95 0.18 116.25 118.34 1c20 h VAL 70 Ca 0.13 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1c20 h VAL 70 Cb -0.05 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.49 1c20 h VAL 70 CO -0.03 0.24 0.61 0.44 0.02 0.00 0.00 177.57 178.86 1c20 h ASP 71 N 1.32 1.15 -0.11 0.57 3.32 -1.68 -0.81 116.42 120.18 1c20 h ASP 71 Ca 0.36 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1c20 h ASP 71 Cb -0.15 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.11 1c20 h ASP 71 CO -0.08 0.86 0.00 0.58 -1.72 0.00 0.00 179.24 178.89 1c20 h VAL 72 N 1.34 1.24 0.28 -1.35 2.07 0.57 -0.33 116.25 120.07 1c20 h VAL 72 Ca 0.35 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1c20 h VAL 72 Cb -0.10 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1c20 h VAL 72 CO -0.07 0.22 -0.14 0.40 0.02 0.00 0.00 177.57 178.01 1c20 h ILE 73 N -0.07 0.74 -0.01 4.57 2.04 -0.39 2.70 117.51 127.10 1c20 h ILE 73 Ca 0.03 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1c20 h ILE 73 Cb 0.34 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1c20 h ILE 73 CO 0.00 0.04 0.00 -1.13 0.00 0.00 0.00 178.15 177.06 1c20 h ASN 74 N -0.46 0.01 1.00 1.72 -0.73 -1.20 -2.18 115.58 113.74 1c20 h ASN 74 Ca -0.04 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1c20 h ASN 74 Cb 0.35 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.94 1c20 h ASN 74 CO 0.06 0.01 -0.04 0.29 -0.37 0.00 0.00 177.43 177.38 1c20 n LYS 75 N -5.09 0.02 -3.23 6.67 4.76 -0.14 -4.89 118.16 116.27 1c20 n LYS 75 Ca -0.07 0.02 -0.07 0.00 -2.87 0.00 0.00 58.31 55.31 1c20 n LYS 75 Cb 0.03 -1.52 0.01 0.00 -1.84 0.00 0.00 35.03 31.71 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 -1.56 -1.45 -0.75 1.97 4.81 0.89 -4.91 118.16 117.16 1c20 n LYS 76 Ca 0.07 1.25 0.04 0.00 -0.87 0.00 0.00 58.31 58.80 1c20 n LYS 76 Cb 0.35 -5.15 0.32 0.00 0.02 0.00 0.00 35.03 30.56 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 -2.21 5.02 0.30 3.14 4.77 -0.51 -4.57 117.00 122.93 1c20 n LEU 77 Ca -0.06 -3.08 0.16 0.00 -0.03 0.00 0.00 56.01 52.99 1c20 n LEU 77 Cb 0.55 -0.64 0.94 0.00 -2.33 0.00 0.00 43.42 41.93 1c20 n LEU 77 CO 0.56 0.72 1.13 -0.50 -1.33 0.00 0.00 177.39 177.98 1c20 h TRP 78 N 2.69 0.00 -0.88 -1.77 4.06 -1.91 -2.28 115.95 115.87 1c20 h TRP 78 Ca 0.07 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.03 1c20 h TRP 78 Cb 1.84 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.95 1c20 h TRP 78 CO 0.91 0.00 0.58 0.37 -3.56 0.00 0.00 178.44 176.73 1c20 h GLN 79 N 0.00 1.15 -0.59 0.49 5.75 -1.98 0.53 115.11 120.48 1c20 h GLN 79 Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1c20 h GLN 79 Cb 0.00 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 1c20 h GLN 79 CO -0.00 0.76 0.31 0.93 -2.65 0.00 0.00 178.83 178.19 1c20 h GLU 80 N 1.19 0.82 -0.19 1.69 3.07 -1.78 1.16 114.58 120.53 1c20 h GLU 80 Ca 0.32 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 1c20 h GLU 80 Cb -0.14 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.61 1c20 h GLU 80 CO -0.07 0.64 -0.21 0.82 -1.40 0.00 0.00 179.01 178.79 1c20 h ILE 81 N 0.79 1.33 -0.71 3.13 2.04 -1.46 -2.30 117.51 120.33 1c20 h ILE 81 Ca 0.20 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 1c20 h ILE 81 Cb 0.06 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1c20 h ILE 81 CO -0.03 0.42 0.16 0.40 0.00 0.00 0.00 178.15 179.10 1c20 h ILE 82 N 0.15 1.26 -0.09 -0.67 2.04 0.33 0.18 117.51 120.71 1c20 h ILE 82 Ca 0.03 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1c20 h ILE 82 Cb 0.77 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1c20 h ILE 82 CO 0.05 0.38 -0.01 0.50 0.00 0.00 0.00 178.15 179.07 1c20 h LYS 83 N 1.08 0.02 -0.78 2.37 1.63 0.15 -0.19 116.57 120.83 1c20 h LYS 83 Ca 0.22 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1c20 h LYS 83 Cb 0.39 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 1c20 h LYS 83 CO 0.00 0.01 0.36 0.78 -3.45 0.00 0.00 179.45 177.16 1c20 h GLY 84 N 0.02 1.21 -5.97 5.01 0.00 -1.17 -2.92 103.07 99.25 1c20 h GLY 84 Ca 0.04 -0.61 -0.79 0.00 0.00 0.00 0.00 47.33 45.98 1c20 h GLY 84 CO -0.08 0.58 1.18 1.04 0.00 0.00 0.00 176.54 179.25 1c20 n LEU 85 N -4.31 7.45 -3.34 3.11 7.99 0.61 -5.04 117.00 123.47 1c20 n LEU 85 Ca 0.08 -5.23 -0.30 0.00 -0.01 0.00 0.00 56.01 50.54 1c20 n LEU 85 Cb 0.15 -1.18 0.03 0.00 -0.11 0.00 0.00 43.42 42.31 1c20 n LEU 85 CO 0.40 2.00 -0.95 1.41 -1.51 0.00 0.00 177.39 178.74 1c20 n HIS 86 N 0.08 -3.80 -2.19 -1.77 8.25 -0.22 -4.72 115.22 110.85 1c20 n HIS 86 Ca 0.50 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 1c20 n HIS 86 Cb 0.26 -1.23 -0.03 0.00 1.12 0.00 0.00 29.99 30.11 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 5.93 4.32 0.00 2.41 1.02 -1.26 -4.85 118.68 126.25 1c20 s LEU 87 Ca 0.37 2.16 0.00 0.00 0.02 0.00 0.00 54.13 56.67 1c20 s LEU 87 Cb -0.22 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.43 1c20 s LEU 87 CO 0.65 -0.74 0.13 -0.81 0.02 0.00 0.00 176.35 175.59 1c20 n PRO 88 N 5.41 0.15 -3.80 1.29 -0.05 -1.26 -4.63 135.00 132.12 1c20 n PRO 88 Ca 0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 63.50 63.30 1c20 n PRO 88 Cb 0.43 -1.30 0.05 0.00 -0.05 0.00 0.00 33.50 32.63 1c20 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1c20 n SER 89 N 0.75 -5.42 0.00 3.54 2.88 -1.26 -4.73 113.62 109.37 1c20 n SER 89 Ca 0.00 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 1c20 n SER 89 Cb 0.06 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 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 -2.90 0.00 -4.12 -3.46 7.64 -1.26 -5.08 113.62 104.44 1c20 n SER 90 Ca 0.03 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 1c20 n SER 90 Cb 0.54 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.00 2.06 -0.39 0.44 1.01 -1.26 -4.99 121.20 117.07 1c20 s ILE 91 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.78 1c20 s ILE 91 Cb 0.00 -1.86 0.65 0.00 0.01 0.00 0.00 42.46 41.26 1c20 s ILE 91 CO 0.00 0.54 1.80 0.35 0.00 0.00 0.00 174.94 177.63 1c20 n THR 92 N 4.62 3.01 -2.73 2.92 -2.24 -1.26 -4.37 114.28 114.22 1c20 n THR 92 Ca -0.21 -2.05 -0.04 0.00 -2.27 0.00 0.00 64.05 59.48 1c20 n THR 92 Cb 0.50 -0.41 0.07 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.96 0.44 -0.18 3.42 2.88 -1.26 -4.93 113.62 113.04 1c20 n SER 93 Ca 0.50 -2.33 0.01 0.00 -1.33 0.00 0.00 58.87 55.73 1c20 n SER 93 Cb 1.48 -0.05 0.28 0.00 -0.75 0.00 0.00 64.21 65.17 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 2.33 1.51 0.05 -1.46 0.00 -1.99 -2.14 119.26 117.55 1c20 h ALA 94 Ca -0.21 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1c20 h ALA 94 Cb 1.25 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1c20 h ALA 94 CO 0.17 0.46 -0.36 0.00 0.00 0.00 0.00 179.25 179.52 1c20 h ALA 95 N 1.57 -0.58 -0.86 0.00 0.00 -1.94 0.47 119.26 117.92 1c20 h ALA 95 Ca 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1c20 h ALA 95 Cb -0.11 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1c20 h ALA 95 CO -0.05 -0.89 0.44 0.35 0.00 0.00 0.00 179.25 179.09 1c20 h PHE 96 N -0.55 1.22 -0.50 0.00 3.57 -1.90 -2.31 116.94 116.47 1c20 h PHE 96 Ca 0.04 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1c20 h PHE 96 Cb 0.61 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1c20 h PHE 96 CO -0.35 0.87 -0.19 1.15 -2.23 0.00 0.00 178.31 177.56 1c20 h THR 97 N 1.22 1.27 -0.00 4.41 2.02 -0.72 -2.97 112.91 118.14 1c20 h THR 97 Ca 0.30 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 1c20 h THR 97 Cb 0.09 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1c20 h THR 97 CO -0.04 0.47 0.00 -0.07 0.37 0.00 0.00 175.52 176.25 1c20 h LEU 98 N 0.88 0.00 -1.00 2.58 3.38 0.16 -2.52 115.31 118.79 1c20 h LEU 98 Ca 0.12 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1c20 h LEU 98 Cb 0.77 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1c20 h LEU 98 CO 0.06 0.30 0.66 0.08 0.09 0.00 0.00 178.44 179.63 1c20 h ARG 99 N -0.29 1.33 -0.05 1.13 0.11 -1.46 -1.22 114.38 113.92 1c20 h ARG 99 Ca 0.00 -0.08 -0.10 0.00 0.10 0.00 0.00 59.98 59.90 1c20 h ARG 99 Cb 0.30 -0.30 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1c20 h ARG 99 CO 0.00 0.88 -0.36 0.00 0.10 0.00 0.00 179.97 180.59 1c20 h THR 100 N 1.36 1.44 -0.41 0.08 1.03 -1.54 -1.59 112.91 113.28 1c20 h THR 100 Ca 0.37 -1.81 -0.01 0.00 -0.01 0.00 0.00 66.41 64.95 1c20 h THR 100 Cb -0.15 2.41 -0.02 0.00 -1.07 0.00 0.00 68.15 69.33 1c20 h THR 100 CO -0.08 0.52 0.22 1.56 -0.01 0.00 0.00 175.52 177.73 1c20 h GLN 101 N -0.18 0.57 -0.01 0.00 4.20 -1.39 0.26 115.11 118.57 1c20 h GLN 101 Ca -0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1c20 h GLN 101 Cb 1.03 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1c20 h GLN 101 CO 0.07 0.47 0.01 -0.92 -0.67 0.00 0.00 178.83 177.79 1c20 h TYR 102 N 0.52 0.01 -0.19 2.96 5.03 -1.28 -1.87 116.97 122.15 1c20 h TYR 102 Ca 0.14 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1c20 h TYR 102 Cb 0.07 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1c20 h TYR 102 CO -0.02 0.01 0.09 1.98 -1.32 0.00 0.00 178.16 178.90 1c20 h MET 103 N 0.01 0.26 -1.01 1.82 4.05 -0.93 1.23 114.93 120.37 1c20 h MET 103 Ca 0.00 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1c20 h MET 103 Cb 0.00 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 1c20 h MET 103 CO -0.00 0.21 0.67 -0.22 0.23 0.00 0.00 176.91 177.80 1c20 h LYS 104 N 0.27 1.32 0.00 0.39 3.64 0.38 -3.37 116.57 119.20 1c20 h LYS 104 Ca 0.07 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1c20 h LYS 104 Cb 0.04 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1c20 h LYS 104 CO -0.01 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 178.71 1c20 n TYR 105 N -4.38 0.00 -0.01 1.91 4.01 -1.04 -4.90 117.16 112.75 1c20 n TYR 105 Ca 0.12 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.93 1c20 n TYR 105 Cb 0.01 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.00 7.72 4.77 0.42 -4.16 117.00 125.74 1c20 n LEU 106 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1c20 n LEU 106 Cb 0.15 0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1c20 n LEU 106 CO 0.00 0.03 0.56 0.22 -1.33 0.00 0.00 177.39 176.86 1c20 h TYR 107 N 0.00 0.68 -0.12 -1.77 3.20 -1.49 0.86 116.97 118.33 1c20 h TYR 107 Ca -0.03 -0.21 -0.20 0.00 3.14 0.00 0.00 58.73 61.43 1c20 h TYR 107 Cb 0.80 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1c20 h TYR 107 CO 0.00 0.91 -0.74 -1.00 -1.64 0.00 0.00 178.16 175.69 1c20 h PRO 108 N 0.45 0.60 0.31 1.82 0.14 -1.83 -2.15 132.00 131.34 1c20 h PRO 108 Ca 0.03 -0.49 -0.02 0.00 0.14 0.00 0.00 66.00 65.67 1c20 h PRO 108 Cb 0.97 0.10 0.00 0.00 0.14 0.00 0.00 31.00 32.21 1c20 h PRO 108 CO 0.09 1.11 -0.15 -0.92 0.14 0.00 0.00 178.00 178.26 1c20 h TYR 109 N 0.42 -0.39 -0.42 1.56 3.20 -1.70 0.60 116.97 120.23 1c20 h TYR 109 Ca -0.04 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.91 1c20 h TYR 109 Cb 1.34 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 39.66 1c20 h TYR 109 CO 0.06 -0.06 -0.09 1.49 -1.64 0.00 0.00 178.16 177.93 1c20 h GLU 110 N -0.78 0.01 -0.56 1.82 4.81 -0.88 -0.42 114.58 118.59 1c20 h GLU 110 Ca -0.04 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1c20 h GLU 110 Cb 0.51 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1c20 h GLU 110 CO 0.07 0.01 0.16 0.00 -0.73 0.00 0.00 179.01 178.52 1c20 h GLU 112 N 0.82 0.25 0.05 0.00 4.81 0.81 1.27 114.58 122.59 1c20 h GLU 112 Ca 0.18 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.11 1c20 h GLU 112 Cb 0.26 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1c20 h GLU 112 CO -0.01 0.24 -1.44 1.57 -0.73 0.00 0.00 179.01 178.65 1c20 h LYS 113 N 0.19 0.10 0.00 1.92 2.10 -1.34 -3.39 116.57 116.15 1c20 h LYS 113 Ca 0.06 -0.17 -0.07 0.00 -2.00 0.00 0.00 60.65 58.47 1c20 h LYS 113 Cb 0.07 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1c20 h LYS 113 CO -0.01 0.89 -1.50 1.63 -2.00 0.00 0.00 179.45 178.47 1c20 n LYS 114 N -3.30 1.30 -3.76 0.07 5.02 -0.31 -5.02 118.16 112.16 1c20 n LYS 114 Ca -0.12 -0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 55.89 1c20 n LYS 114 Cb 1.02 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 34.83 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 -2.04 -1.20 -0.38 4.39 2.85 0.44 -4.84 115.26 114.48 1c20 n ASN 115 Ca -0.07 -0.85 -0.02 0.00 -0.11 0.00 0.00 54.58 53.52 1c20 n ASN 115 Cb 0.48 -3.85 0.11 0.00 1.24 0.00 0.00 39.78 37.76 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 -1.87 1.15 -8.26 1.20 3.38 -1.80 -3.46 115.31 105.66 1c20 h LEU 116 Ca -0.61 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.26 1c20 h LEU 116 Cb 1.36 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 1c20 h LEU 116 CO 0.58 0.84 -0.13 -0.44 0.09 0.00 0.00 178.44 179.38 1c20 s SER 117 N -6.12 -0.06 0.21 -0.43 0.01 -1.26 -5.08 113.70 100.97 1c20 s SER 117 Ca -0.13 -0.96 0.10 0.00 1.31 0.00 0.00 55.95 56.28 1c20 s SER 117 Cb 0.18 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1c20 s SER 117 CO 0.82 -1.14 -0.16 0.42 0.41 0.00 0.00 173.24 173.58 1c20 s THR 118 N -3.98 2.76 0.62 1.44 -4.23 -1.26 -4.96 115.64 106.03 1c20 s THR 118 Ca 0.23 -1.95 0.24 0.00 -1.18 0.00 0.00 61.69 59.04 1c20 s THR 118 Cb -0.00 -2.38 0.32 0.00 1.34 0.00 0.00 72.50 71.78 1c20 s THR 118 CO 0.09 -0.18 1.57 -0.65 -0.54 0.00 0.00 174.62 174.91 1c20 h PRO 119 N 2.84 0.00 0.44 3.99 0.10 -2.02 -1.06 132.00 136.29 1c20 h PRO 119 Ca -0.45 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.63 1c20 h PRO 119 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.32 1c20 h PRO 119 CO 0.53 0.00 -0.21 0.00 0.10 0.00 0.00 178.00 178.42 1c20 h ALA 120 N 0.91 -0.59 0.00 -0.75 0.00 -2.01 -2.80 119.26 114.02 1c20 h ALA 120 Ca 0.25 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1c20 h ALA 120 Cb 1.82 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1c20 h ALA 120 CO -0.00 -0.62 -0.37 1.05 0.00 0.00 0.00 179.25 179.31 1c20 h GLU 121 N -1.02 0.00 -0.65 0.00 4.11 -1.67 -2.85 114.58 112.50 1c20 h GLU 121 Ca -0.06 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1c20 h GLU 121 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1c20 h GLU 121 CO 0.10 0.37 0.43 1.25 0.07 0.00 0.00 179.01 181.22 1c20 h LEU 122 N 0.00 0.74 -1.02 3.06 5.85 -1.25 -1.35 115.31 121.33 1c20 h LEU 122 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 122 Cb 0.80 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1c20 h LEU 122 CO 0.05 0.53 0.66 -0.61 -0.34 0.00 0.00 178.44 178.73 1c20 h GLN 123 N 0.87 1.31 -1.00 1.25 4.15 -1.25 -0.77 115.11 119.66 1c20 h GLN 123 Ca 0.24 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.64 1c20 h GLN 123 Cb -0.10 -0.30 -0.07 0.00 0.21 0.00 0.00 27.48 27.23 1c20 h GLN 123 CO -0.05 0.87 0.65 0.00 -1.93 0.00 0.00 178.83 178.36 1c20 h ALA 124 N 1.38 1.38 -0.54 3.38 0.00 -1.21 0.66 119.26 124.30 1c20 h ALA 124 Ca 0.37 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1c20 h ALA 124 Cb -0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1c20 h ALA 124 CO -0.08 0.47 -0.12 0.00 0.00 0.00 0.00 179.25 179.52 1c20 h ALA 125 N 1.44 0.76 -0.37 0.00 0.00 -0.62 -1.93 119.26 118.55 1c20 h ALA 125 Ca 0.43 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1c20 h ALA 125 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1c20 h ALA 125 CO -0.16 0.67 -0.40 0.82 0.00 0.00 0.00 179.25 180.18 1c20 h ILE 126 N 0.91 1.27 -0.82 0.00 2.04 0.20 -3.02 117.51 118.09 1c20 h ILE 126 Ca 0.14 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1c20 h ILE 126 Cb 0.69 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1c20 h ILE 126 CO 0.05 0.53 0.36 0.44 0.00 0.00 0.00 178.15 179.53 1c20 h ASP 127 N 0.75 1.11 -1.00 1.72 3.32 0.40 -2.64 116.42 120.08 1c20 h ASP 127 Ca 0.06 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1c20 h ASP 127 Cb 1.00 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.22 1c20 h ASP 127 CO 0.10 0.96 0.67 1.23 -1.72 0.00 0.00 179.24 180.47 1c20 h GLY 128 N 1.19 1.41 1.01 2.75 0.00 -1.26 -2.16 103.07 106.02 1c20 h GLY 128 Ca 0.28 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1c20 h GLY 128 CO -0.03 0.52 0.67 3.43 0.00 0.00 0.00 176.54 181.12 1c20 h ASN 129 N 1.36 1.15 0.00 0.19 -0.26 -1.35 -3.52 115.58 113.16 1c20 h ASN 129 Ca 0.37 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 1c20 h ASN 129 Cb -0.16 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 36.81 1c20 h ASN 129 CO -0.08 0.84 0.00 0.54 -1.06 0.00 0.00 177.43 177.67