#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 -0.12 0.06 1.61 -0.00 -1.26 -5.15 118.94 114.08 1c20 s TRP 4 Ca 0.00 0.34 -0.00 0.00 -0.00 0.00 0.00 56.10 56.43 1c20 s TRP 4 Cb 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 33.47 33.42 1c20 s TRP 4 CO 0.00 -0.09 -0.04 -1.54 -0.00 0.00 0.00 176.95 175.28 1c20 s SER 5 N 0.44 0.66 0.10 5.86 1.04 -1.26 -5.05 113.70 115.49 1c20 s SER 5 Ca -0.03 -1.00 -0.21 0.00 0.48 0.00 0.00 55.95 55.18 1c20 s SER 5 Cb -0.05 0.17 -0.11 0.00 0.10 0.00 0.00 66.02 66.14 1c20 s SER 5 CO -0.02 -0.57 1.72 -0.26 0.98 0.00 0.00 173.24 175.10 1c20 h PHE 6 N 3.10 0.14 0.00 5.02 0.04 -2.01 -2.30 116.94 120.94 1c20 h PHE 6 Ca -0.34 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.41 1c20 h PHE 6 Cb 1.15 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 1c20 h PHE 6 CO 0.54 0.13 -0.07 1.49 -0.60 0.00 0.00 178.31 179.81 1c20 h GLU 7 N 0.11 0.00 -0.70 1.51 4.81 -1.99 -2.13 114.58 116.20 1c20 h GLU 7 Ca 0.04 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1c20 h GLU 7 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1c20 h GLU 7 CO -0.01 0.07 0.46 1.49 -0.73 0.00 0.00 179.01 180.29 1c20 h GLU 8 N 0.00 0.92 -0.10 1.92 4.81 -1.82 0.59 114.58 120.90 1c20 h GLU 8 Ca -0.00 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1c20 h GLU 8 Cb 0.19 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1c20 h GLU 8 CO 0.01 0.61 -0.47 0.37 -0.73 0.00 0.00 179.01 178.79 1c20 h GLN 9 N 0.94 0.25 0.19 1.92 4.15 -1.40 -2.91 115.11 118.25 1c20 h GLN 9 Ca 0.26 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1c20 h GLN 9 Cb -0.11 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1c20 h GLN 9 CO -0.06 0.67 -0.09 0.35 -1.93 0.00 0.00 178.83 177.77 1c20 h PHE 10 N 0.20 -0.24 0.00 3.99 3.57 -0.76 -2.71 116.94 120.99 1c20 h PHE 10 Ca 0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1c20 h PHE 10 Cb 0.91 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1c20 h PHE 10 CO 0.02 0.01 -0.09 1.57 -2.23 0.00 0.00 178.31 177.59 1c20 h LYS 11 N -0.46 0.00 -0.00 1.11 2.10 -0.96 0.44 116.57 118.80 1c20 h LYS 11 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1c20 h LYS 11 Cb 0.36 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1c20 h LYS 11 CO 0.04 0.09 0.00 1.96 -2.00 0.00 0.00 179.45 179.55 1c20 h GLN 12 N 0.00 0.00 -0.37 0.07 4.20 -1.28 0.12 115.11 117.85 1c20 h GLN 12 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1c20 h GLN 12 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1c20 h GLN 12 CO 0.01 0.00 -0.42 0.28 -0.67 0.00 0.00 178.83 178.03 1c20 h VAL 13 N 0.00 1.27 -0.24 -0.54 2.07 -0.79 -3.02 116.25 115.00 1c20 h VAL 13 Ca 0.00 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 65.96 1c20 h VAL 13 Cb 0.00 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1c20 h VAL 13 CO -0.00 0.53 0.03 0.03 0.02 0.00 0.00 177.57 178.18 1c20 h ARG 14 N 0.75 0.11 0.00 1.57 2.47 -0.73 -0.92 114.38 117.63 1c20 h ARG 14 Ca 0.05 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1c20 h ARG 14 Cb 1.02 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1c20 h ARG 14 CO 0.10 0.07 -0.04 -0.56 0.56 0.00 0.00 179.97 180.11 1c20 h GLN 15 N 0.11 0.00 -0.41 0.04 -0.00 -1.43 -1.95 115.11 111.48 1c20 h GLN 15 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.68 1c20 h GLN 15 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.59 1c20 h GLN 15 CO -0.17 0.04 -0.05 -0.07 -0.00 0.00 0.00 178.83 178.58 1c20 h LEU 16 N 0.00 0.75 -0.67 0.06 3.38 -1.04 -2.87 115.31 114.92 1c20 h LEU 16 Ca -0.00 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 1c20 h LEU 16 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1c20 h LEU 16 CO 0.00 0.91 -0.45 1.88 0.09 0.00 0.00 178.44 180.88 1c20 h TYR 17 N 0.58 0.61 0.00 1.13 -1.99 -1.22 -2.61 116.97 113.46 1c20 h TYR 17 Ca 0.11 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1c20 h TYR 17 Cb 0.56 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1c20 h TYR 17 CO 0.04 0.86 0.00 0.39 -0.00 0.00 0.00 178.16 179.46 1c20 n GLU 18 N -4.00 0.10 -0.20 4.88 1.02 -0.80 -3.18 120.64 118.46 1c20 n GLU 18 Ca -0.02 0.22 -0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1c20 n GLU 18 Cb 0.54 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.54 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 0.89 -1.94 -3.67 2.04 -1.31 -3.46 117.51 110.06 1c20 h ILE 19 Ca 0.00 -0.18 0.24 0.00 1.00 0.00 0.00 64.86 65.93 1c20 h ILE 19 Cb 0.08 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 1c20 h ILE 19 CO 0.00 0.09 0.64 0.21 0.00 0.00 0.00 178.15 179.09 1c20 s ASN 20 N -5.48 -0.12 -0.14 1.72 3.84 -1.19 -5.01 114.94 108.55 1c20 s ASN 20 Ca -0.13 -0.29 0.10 0.00 0.21 0.00 0.00 52.86 52.76 1c20 s ASN 20 Cb 0.15 0.34 0.54 0.00 -0.55 0.00 0.00 41.25 41.74 1c20 s ASN 20 CO 0.74 -0.64 1.35 -0.90 -2.79 0.00 0.00 177.10 174.86 1c20 n ASP 21 N -0.48 4.04 -4.68 -4.21 5.75 -1.26 -4.87 116.55 110.83 1c20 n ASP 21 Ca -0.07 -2.56 -0.44 0.00 -0.01 0.00 0.00 54.79 51.71 1c20 n ASP 21 Cb 0.62 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 40.08 1c20 n ASP 21 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1c20 n ASP 22 N 0.48 3.73 -0.27 -1.12 9.92 -1.26 -4.86 116.55 123.17 1c20 n ASP 22 Ca 0.19 1.00 -0.02 0.00 -0.53 0.00 0.00 54.79 55.43 1c20 n ASP 22 Cb 0.84 -1.49 0.17 0.00 -0.64 0.00 0.00 41.12 40.00 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 8.14 1.11 -0.00 -0.24 0.13 -2.00 -2.69 132.00 136.46 1c20 h PRO 23 Ca -0.46 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1c20 h PRO 23 Cb 1.24 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1c20 h PRO 23 CO 0.94 0.78 0.00 0.87 -0.23 0.00 0.00 178.00 180.36 1c20 h LYS 24 N 1.13 0.00 -0.26 0.86 1.57 -1.98 0.17 116.57 118.07 1c20 h LYS 24 Ca 0.29 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1c20 h LYS 24 Cb -0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1c20 h LYS 24 CO -0.05 0.00 0.17 -0.09 -0.57 0.00 0.00 179.45 178.91 1c20 h ARG 25 N 0.00 0.34 0.00 3.15 2.43 -1.91 0.95 114.38 119.34 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 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1c20 h ARG 25 CO -0.00 0.23 -0.00 -0.22 -1.51 0.00 0.00 179.97 178.47 1c20 h LYS 26 N 0.35 -0.00 -0.53 0.20 3.64 -1.28 0.21 116.57 119.16 1c20 h LYS 26 Ca 0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1c20 h LYS 26 Cb -0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1c20 h LYS 26 CO -0.02 0.00 0.23 1.49 -2.27 0.00 0.00 179.45 178.89 1c20 h GLU 27 N -0.00 0.77 -0.00 1.90 4.81 -0.37 -1.27 114.58 120.42 1c20 h GLU 27 Ca -0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1c20 h GLU 27 Cb 0.00 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1c20 h GLU 27 CO 0.00 0.66 -0.00 0.35 -0.73 0.00 0.00 179.01 179.28 1c20 h PHE 28 N 0.71 -0.01 -0.42 0.92 3.04 0.13 -0.22 116.94 121.10 1c20 h PHE 28 Ca 0.18 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1c20 h PHE 28 Cb 0.15 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 1c20 h PHE 28 CO 0.00 -0.00 0.28 -0.07 -2.02 0.00 0.00 178.31 176.49 1c20 h LEU 29 N -0.01 0.48 -1.01 0.59 3.38 -0.40 0.20 115.31 118.54 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 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1c20 h LEU 29 CO -0.00 0.35 0.67 0.44 0.09 0.00 0.00 178.44 179.98 1c20 h ASP 30 N 0.57 1.15 0.04 -0.43 3.32 -0.99 -0.11 116.42 119.97 1c20 h ASP 30 Ca 0.15 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1c20 h ASP 30 Cb -0.06 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.20 1c20 h ASP 30 CO -0.03 0.83 -0.02 -0.78 -1.72 0.00 0.00 179.24 177.52 1c20 h ASP 31 N 1.36 -0.05 -0.01 6.45 1.82 -0.34 -2.37 116.42 123.29 1c20 h ASP 31 Ca 0.37 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1c20 h ASP 31 Cb -0.15 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 39.87 1c20 h ASP 31 CO -0.08 0.52 0.00 0.25 -1.61 0.00 0.00 179.24 178.32 1c20 h LEU 32 N -0.64 0.01 -1.36 2.28 5.85 -0.50 -2.02 115.31 118.93 1c20 h LEU 32 Ca -0.01 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1c20 h LEU 32 Cb 0.57 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1c20 h LEU 32 CO 0.01 0.01 0.48 -0.26 -0.34 0.00 0.00 178.44 178.33 1c20 h PHE 33 N 0.01 0.79 -0.01 1.25 0.04 -1.11 -2.62 116.94 115.29 1c20 h PHE 33 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1c20 h PHE 33 Cb -0.00 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 1c20 h PHE 33 CO -0.08 0.43 0.01 0.77 -0.60 0.00 0.00 178.31 178.84 1c20 h SER 34 N 0.79 0.01 0.34 2.17 0.02 -0.82 0.15 113.55 116.23 1c20 h SER 34 Ca 0.31 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1c20 h SER 34 Cb 0.21 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1c20 h SER 34 CO -0.10 0.02 -0.17 0.15 -1.14 0.00 0.00 176.83 175.59 1c20 h PHE 35 N 0.01 -0.43 0.00 3.45 3.04 -1.10 -1.53 116.94 120.38 1c20 h PHE 35 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1c20 h PHE 35 Cb 0.00 0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1c20 h PHE 35 CO -0.08 -0.26 0.00 0.00 -2.02 0.00 0.00 178.31 175.95 1c20 n MET 36 N -5.29 0.05 0.02 1.11 0.00 -1.09 -3.06 117.12 108.86 1c20 n MET 36 Ca -0.10 0.34 0.01 0.00 0.00 0.00 0.00 57.70 57.95 1c20 n MET 36 Cb 0.20 -1.61 0.05 0.00 0.00 0.00 0.00 33.22 31.86 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 -1.71 0.01 -0.29 3.17 7.27 0.52 -1.58 117.38 124.78 1c20 n GLN 37 Ca 0.02 0.35 0.08 0.00 0.07 0.00 0.00 57.00 57.53 1c20 n GLN 37 Cb 0.15 -1.73 0.24 0.00 2.41 0.00 0.00 30.24 31.31 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 0.48 -0.34 3.69 3.64 -1.73 0.96 116.57 123.28 1c20 h LYS 38 Ca 0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1c20 h LYS 38 Cb 0.39 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1c20 h LYS 38 CO 0.00 0.32 -0.41 0.00 -2.27 0.00 0.00 179.45 177.09 1c20 h ARG 39 N 0.50 0.83 0.00 1.90 2.47 -1.62 -3.46 114.38 115.00 1c20 h ARG 39 Ca 0.48 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1c20 h ARG 39 Cb 0.78 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1c20 h ARG 39 CO -0.43 1.09 0.00 0.41 0.56 0.00 0.00 179.97 181.60 1c20 n GLY 40 N 0.13 1.46 3.61 0.04 0.00 0.33 -5.06 105.19 105.71 1c20 n GLY 40 Ca -0.02 0.00 -0.25 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 -2.42 3.31 0.00 2.61 -4.23 -1.26 -4.98 115.64 108.67 1c20 s THR 41 Ca 0.00 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1c20 s THR 41 Cb 0.00 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1c20 s THR 41 CO 0.00 -0.26 0.00 -0.81 -0.54 0.00 0.00 174.62 173.01 1c20 n PRO 42 N -0.48 0.69 0.00 3.99 -0.04 -1.26 -4.79 135.00 133.11 1c20 n PRO 42 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1c20 n PRO 42 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.63 0.00 -0.06 0.52 0.13 -1.26 -4.96 119.36 112.10 1c20 n ILE 43 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.63 1c20 n ILE 43 Cb 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 39.64 38.75 1c20 n ILE 43 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1c20 h ASN 44 N 0.00 0.00 -4.57 9.51 2.35 -1.96 -3.49 115.58 117.42 1c20 h ASN 44 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1c20 h ASN 44 Cb 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.15 1c20 h ASN 44 CO 0.00 0.57 -0.37 -0.13 -1.65 0.00 0.00 177.43 175.85 1c20 s ARG 45 N -1.79 0.50 -0.55 0.81 0.52 -1.26 -5.06 118.95 112.12 1c20 s ARG 45 Ca -0.06 -0.04 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1c20 s ARG 45 Cb 0.01 0.22 0.17 0.00 0.52 0.00 0.00 34.95 35.87 1c20 s ARG 45 CO 0.08 -0.11 0.42 1.28 0.02 0.00 0.00 175.30 176.99 1c20 n LEU 46 N 1.91 1.19 -4.47 2.53 4.77 -1.26 -5.11 117.00 116.56 1c20 n LEU 46 Ca -0.19 -4.78 -0.29 0.00 -0.03 0.00 0.00 56.01 50.73 1c20 n LEU 46 Cb 0.57 -0.07 0.25 0.00 -2.33 0.00 0.00 43.42 41.84 1c20 n LEU 46 CO 0.20 1.81 0.51 -2.84 -1.33 0.00 0.00 177.39 175.74 1c20 s PRO 47 N -0.68 -1.46 -0.12 3.23 0.02 -1.26 -4.79 135.00 129.93 1c20 s PRO 47 Ca 0.29 0.45 -0.04 0.00 0.02 0.00 0.00 61.00 61.73 1c20 s PRO 47 Cb 0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 34.50 32.97 1c20 s PRO 47 CO -0.19 -3.99 0.02 0.42 -0.33 0.00 0.00 177.00 172.94 1c20 s ILE 48 N -2.53 4.43 -0.16 2.83 -1.09 -1.26 -3.07 121.20 120.34 1c20 s ILE 48 Ca 0.68 -0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.91 1c20 s ILE 48 Cb -0.19 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1c20 s ILE 48 CO 0.61 0.55 -0.12 0.00 -1.23 0.00 0.00 174.94 174.75 1c20 s MET 49 N -0.36 3.31 2.21 2.79 0.23 0.12 -4.94 119.30 122.66 1c20 s MET 49 Ca 0.08 -0.70 0.00 0.00 -1.03 0.00 0.00 55.69 54.04 1c20 s MET 49 Cb -0.12 -2.71 0.00 0.00 -1.53 0.00 0.00 34.83 30.47 1c20 s MET 49 CO 0.02 0.03 0.00 0.00 -2.03 0.00 0.00 175.02 173.04 1c20 n ALA 50 N 4.05 0.00 0.02 3.16 0.00 -1.26 -0.57 120.51 125.91 1c20 n ALA 50 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.26 1c20 n ALA 50 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 1.63 -2.94 0.00 4.81 -1.26 -5.04 118.16 115.36 1c20 n LYS 51 Ca 0.00 -0.01 -0.18 0.00 -0.87 0.00 0.00 58.31 57.25 1c20 n LYS 51 Cb 0.00 -0.92 0.03 0.00 0.02 0.00 0.00 35.03 34.16 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1c20 s SER 52 N -1.91 5.44 0.12 3.14 1.04 0.27 -5.12 113.70 116.69 1c20 s SER 52 Ca -0.00 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.07 1c20 s SER 52 Cb 0.01 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.60 1c20 s SER 52 CO 0.06 -0.97 -0.11 -0.69 0.98 0.00 0.00 173.24 172.51 1c20 s VAL 53 N -2.51 3.27 -0.68 5.02 1.01 -1.26 -0.70 120.40 124.55 1c20 s VAL 53 Ca 0.57 -1.39 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 1c20 s VAL 53 Cb -0.09 -2.55 -0.13 0.00 0.00 0.00 0.00 36.38 33.61 1c20 s VAL 53 CO 0.35 0.06 2.44 -0.11 0.00 0.00 0.00 175.10 177.84 1c20 n LEU 54 N 0.55 1.63 -4.65 3.92 7.94 -1.17 -4.84 117.00 120.37 1c20 n LEU 54 Ca -0.13 -0.66 -0.43 0.00 -1.11 0.00 0.00 56.01 53.69 1c20 n LEU 54 Cb 0.53 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 1c20 n LEU 54 CO 0.33 -1.71 1.32 -0.62 -1.11 0.00 0.00 177.39 175.60 1c20 s ASP 55 N 10.61 6.62 0.25 1.96 -1.08 -1.26 -4.88 116.67 128.89 1c20 s ASP 55 Ca 1.05 1.95 -0.06 0.00 -0.52 0.00 0.00 52.55 54.97 1c20 s ASP 55 Cb -0.37 -2.53 0.27 0.00 -1.46 0.00 0.00 42.92 38.82 1c20 s ASP 55 CO 0.27 -1.00 1.93 -0.07 0.52 0.00 0.00 175.17 176.82 1c20 h LEU 56 N 10.61 1.15 -1.01 -1.34 3.38 -1.99 -2.19 115.31 123.92 1c20 h LEU 56 Ca -0.35 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1c20 h LEU 56 Cb 1.16 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1c20 h LEU 56 CO 0.97 0.83 0.66 0.22 0.09 0.00 0.00 178.44 181.22 1c20 h TYR 57 N 1.36 1.24 -0.82 1.13 5.03 -2.00 -2.26 116.97 120.65 1c20 h TYR 57 Ca 0.37 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.67 1c20 h TYR 57 Cb -0.16 -0.42 -0.04 0.00 1.55 0.00 0.00 36.73 37.67 1c20 h TYR 57 CO -0.00 0.73 0.35 0.93 -1.32 0.00 0.00 178.16 178.85 1c20 h GLU 58 N 1.29 1.21 -0.14 1.82 5.08 -1.79 0.04 114.58 122.09 1c20 h GLU 58 Ca 0.40 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1c20 h GLU 58 Cb -0.03 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1c20 h GLU 58 CO -0.12 0.96 0.07 1.25 -1.00 0.00 0.00 179.01 180.17 1c20 h LEU 59 N 1.19 0.11 -0.01 1.33 5.85 -1.29 -0.74 115.31 121.74 1c20 h LEU 59 Ca 0.28 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1c20 h LEU 59 Cb 0.19 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1c20 h LEU 59 CO -0.03 0.08 0.00 0.22 -0.34 0.00 0.00 178.44 178.38 1c20 h TYR 60 N 0.15 0.01 -0.73 1.25 3.20 -1.23 -2.55 116.97 117.08 1c20 h TYR 60 Ca 0.06 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1c20 h TYR 60 Cb 0.01 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1c20 h TYR 60 CO -0.09 0.29 0.47 -2.95 -1.64 0.00 0.00 178.16 174.25 1c20 h ASN 61 N -0.28 0.84 -0.84 -2.11 7.08 -0.90 -2.00 115.58 117.37 1c20 h ASN 61 Ca 0.00 -0.03 0.01 0.00 -3.08 0.00 0.00 56.30 53.20 1c20 h ASN 61 Cb 0.29 -0.21 -0.04 0.00 -2.08 0.00 0.00 38.32 36.28 1c20 h ASN 61 CO 0.00 0.61 0.55 -0.07 -2.08 0.00 0.00 177.43 176.45 1c20 h LEU 62 N 0.98 0.96 0.01 6.14 3.38 -1.12 0.62 115.31 126.28 1c20 h LEU 62 Ca 0.26 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1c20 h LEU 62 Cb -0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1c20 h LEU 62 CO -0.06 0.70 -0.00 0.58 0.09 0.00 0.00 178.44 179.75 1c20 h VAL 63 N 1.14 1.08 -0.62 1.22 2.07 -0.96 -2.86 116.25 117.32 1c20 h VAL 63 Ca 0.31 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1c20 h VAL 63 Cb -0.13 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1c20 h VAL 63 CO -0.07 0.07 0.12 0.40 0.02 0.00 0.00 177.57 178.11 1c20 h ILE 64 N -0.12 1.25 0.00 4.57 1.08 -1.15 -2.27 117.51 120.86 1c20 h ILE 64 Ca -0.00 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 1c20 h ILE 64 Cb 0.12 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1c20 h ILE 64 CO 0.00 0.36 0.50 0.00 -0.69 0.00 0.00 178.15 178.32 1c20 h ALA 65 N 1.18 1.50 0.06 1.87 0.00 -0.63 -0.02 119.26 123.21 1c20 h ALA 65 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.76 1c20 h ALA 65 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1c20 h ALA 65 CO 0.01 -0.50 -1.93 0.54 0.00 0.00 0.00 179.25 177.37 1c20 n ARG 66 N -2.79 0.67 0.00 0.00 3.00 -0.86 -4.99 116.66 111.68 1c20 n ARG 66 Ca -0.02 0.33 0.00 0.00 -0.01 0.00 0.00 57.85 58.16 1c20 n ARG 66 Cb 0.53 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1c20 n ARG 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1c20 n GLY 67 N 1.79 0.12 0.00 -0.13 0.00 -0.02 -5.05 105.19 101.90 1c20 n GLY 67 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1c20 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c20 n GLY 68 N 0.00 4.48 0.36 -0.02 0.00 -1.20 -4.80 105.19 104.01 1c20 n GLY 68 Ca 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 1.11 -1.01 0.99 5.85 -1.97 -1.33 115.31 118.94 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 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1c20 h LEU 69 CO 0.00 0.80 0.67 0.58 -0.34 0.00 0.00 178.44 180.15 1c20 h VAL 70 N 1.31 1.26 -0.67 1.05 2.07 -1.97 -1.62 116.25 117.67 1c20 h VAL 70 Ca 0.35 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1c20 h VAL 70 Cb -0.15 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.37 1c20 h VAL 70 CO -0.08 0.25 0.09 0.44 0.02 0.00 0.00 177.57 178.29 1c20 h ASP 71 N 1.36 1.08 -0.59 0.57 3.32 -1.60 -2.28 116.42 118.28 1c20 h ASP 71 Ca 0.37 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1c20 h ASP 71 Cb -0.16 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.08 1c20 h ASP 71 CO -0.08 1.08 0.31 0.58 -1.72 0.00 0.00 179.24 179.41 1c20 h VAL 72 N 1.04 1.20 0.31 -1.35 2.07 -0.39 -1.16 116.25 117.97 1c20 h VAL 72 Ca 0.20 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1c20 h VAL 72 Cb 0.47 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1c20 h VAL 72 CO 0.02 0.22 -0.15 0.40 0.02 0.00 0.00 177.57 178.08 1c20 h ILE 73 N 0.80 0.70 -0.92 4.57 2.04 -1.15 1.08 117.51 124.62 1c20 h ILE 73 Ca 0.21 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1c20 h ILE 73 Cb 0.07 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1c20 h ILE 73 CO -0.03 0.10 0.55 -0.55 0.00 0.00 0.00 178.15 178.23 1c20 h ASN 74 N -0.72 1.11 0.50 1.72 7.08 -1.41 -1.87 115.58 121.99 1c20 h ASN 74 Ca -0.04 -0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.11 1c20 h ASN 74 Cb 0.49 -0.28 0.00 0.00 -2.08 0.00 0.00 38.32 36.45 1c20 h ASN 74 CO 0.07 0.85 -0.38 0.29 -2.08 0.00 0.00 177.43 176.18 1c20 n LYS 75 N -4.36 0.18 -3.63 4.14 4.76 -0.44 -4.95 118.16 113.87 1c20 n LYS 75 Ca 0.10 -0.10 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1c20 n LYS 75 Cb 0.06 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.80 1c20 n LYS 75 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1c20 n LYS 76 N -1.32 -5.38 -0.13 1.97 5.02 0.36 -4.84 118.16 113.84 1c20 n LYS 76 Ca 0.07 0.68 0.03 0.00 -2.02 0.00 0.00 58.31 57.08 1c20 n LYS 76 Cb 0.33 -5.37 0.09 0.00 -0.02 0.00 0.00 35.03 30.07 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c20 n LEU 77 N -4.24 1.28 0.09 -0.35 4.77 -0.38 -4.01 117.00 114.16 1c20 n LEU 77 Ca -0.29 -0.64 0.20 0.00 -0.03 0.00 0.00 56.01 55.24 1c20 n LEU 77 Cb 0.67 -0.20 0.75 0.00 -2.33 0.00 0.00 43.42 42.31 1c20 n LEU 77 CO 0.66 0.29 1.18 -0.50 -1.33 0.00 0.00 177.39 177.69 1c20 h TRP 78 N 1.19 0.00 -1.00 -1.77 4.06 -1.89 0.26 115.95 116.80 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 0.37 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.48 1c20 h TRP 78 CO 0.16 0.00 0.66 1.96 -3.56 0.00 0.00 178.44 177.67 1c20 h GLN 79 N 0.00 1.32 -0.69 0.49 1.08 -1.97 0.15 115.11 115.49 1c20 h GLN 79 Ca 0.19 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1c20 h GLN 79 Cb 1.02 -0.30 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 1c20 h GLN 79 CO -0.00 0.88 0.45 0.93 -0.95 0.00 0.00 178.83 180.14 1c20 h GLU 80 N 1.36 0.90 -0.34 1.46 5.08 -0.81 0.26 114.58 122.49 1c20 h GLU 80 Ca 0.37 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1c20 h GLU 80 Cb -0.16 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.89 1c20 h GLU 80 CO -0.08 0.60 -0.38 0.82 -1.00 0.00 0.00 179.01 178.97 1c20 h ILE 81 N 0.93 1.28 -0.55 3.13 2.04 -1.36 -2.92 117.51 120.05 1c20 h ILE 81 Ca 0.25 -1.55 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 1c20 h ILE 81 Cb -0.10 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1c20 h ILE 81 CO -0.06 0.51 0.06 0.40 0.00 0.00 0.00 178.15 179.07 1c20 h ILE 82 N 0.66 1.26 -1.00 -0.67 2.04 -0.24 -1.70 117.51 117.86 1c20 h ILE 82 Ca 0.05 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1c20 h ILE 82 Cb 0.97 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1c20 h ILE 82 CO 0.09 0.37 0.66 0.11 0.00 0.00 0.00 178.15 179.37 1c20 h LYS 83 N 0.82 1.32 -0.65 2.37 1.57 -0.47 -1.30 116.57 120.23 1c20 h LYS 83 Ca 0.16 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1c20 h LYS 83 Cb 0.45 -0.30 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1c20 h LYS 83 CO 0.02 0.88 0.07 0.78 -0.57 0.00 0.00 179.45 180.63 1c20 h GLY 84 N 1.36 1.18 -5.84 3.86 0.00 -1.30 -3.13 103.07 99.20 1c20 h GLY 84 Ca 0.37 -0.82 -0.77 0.00 0.00 0.00 0.00 47.33 46.11 1c20 h GLY 84 CO -0.08 0.75 0.75 1.04 0.00 0.00 0.00 176.54 179.01 1c20 n LEU 85 N -4.21 6.91 -3.90 3.11 4.32 -0.58 -5.05 117.00 117.61 1c20 n LEU 85 Ca 0.04 -5.33 -0.36 0.00 -0.02 0.00 0.00 56.01 50.34 1c20 n LEU 85 Cb 0.31 -1.04 0.01 0.00 -1.62 0.00 0.00 43.42 41.08 1c20 n LEU 85 CO 0.43 2.05 -0.70 1.41 -1.22 0.00 0.00 177.39 179.36 1c20 n HIS 86 N -0.18 -3.05 -2.71 -1.77 8.25 -0.68 -4.83 115.22 110.25 1c20 n HIS 86 Ca 0.46 0.35 -0.36 0.00 -0.26 0.00 0.00 57.72 57.91 1c20 n HIS 86 Cb 0.29 -1.52 -0.06 0.00 1.12 0.00 0.00 29.99 29.81 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 5.11 4.17 0.03 2.41 2.01 -1.26 -4.99 118.68 126.16 1c20 s LEU 87 Ca 0.50 1.86 -0.12 0.00 0.01 0.00 0.00 54.13 56.38 1c20 s LEU 87 Cb -0.41 -4.21 -0.06 0.00 0.01 0.00 0.00 46.19 41.53 1c20 s LEU 87 CO 0.64 -0.28 1.19 -0.65 1.01 0.00 0.00 176.35 178.25 1c20 h PRO 88 N 2.62 -0.30 0.00 1.29 0.10 -1.89 -3.45 132.00 130.37 1c20 h PRO 88 Ca -0.48 0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.64 1c20 h PRO 88 Cb 1.20 0.07 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1c20 h PRO 88 CO 0.63 -0.20 0.00 0.45 0.10 0.00 0.00 178.00 178.98 1c20 n SER 89 N -3.42 0.00 -0.20 -2.05 2.88 -1.26 -5.00 113.62 104.58 1c20 n SER 89 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1c20 n SER 89 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.00 -4.30 -3.46 3.41 -1.26 -5.10 113.62 102.92 1c20 n SER 90 Ca 0.00 -0.86 -0.34 0.00 -0.26 0.00 0.00 58.87 57.40 1c20 n SER 90 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.00 3.18 -0.14 -1.33 -1.09 -1.26 -4.97 121.20 115.60 1c20 s ILE 91 Ca 0.00 -0.57 0.16 0.00 -2.23 0.00 0.00 60.65 58.01 1c20 s ILE 91 Cb 0.00 -2.42 0.40 0.00 -1.58 0.00 0.00 42.46 38.85 1c20 s ILE 91 CO 0.00 0.45 1.19 0.35 -1.23 0.00 0.00 174.94 175.70 1c20 n THR 92 N 4.60 1.46 -2.17 2.92 -2.24 -1.26 -4.69 114.28 112.90 1c20 n THR 92 Ca -0.19 -2.40 0.01 0.00 -2.27 0.00 0.00 64.05 59.20 1c20 n THR 92 Cb 0.51 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.63 0.27 -0.11 3.42 2.88 -1.26 -4.88 113.62 113.31 1c20 n SER 93 Ca 0.14 -1.90 -0.01 0.00 -1.33 0.00 0.00 58.87 55.77 1c20 n SER 93 Cb 0.82 -0.18 0.23 0.00 -0.75 0.00 0.00 64.21 64.34 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c20 h ALA 94 N 0.35 1.31 0.00 -1.46 0.00 -1.99 -2.24 119.26 115.22 1c20 h ALA 94 Ca -0.12 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1c20 h ALA 94 Cb 1.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1c20 h ALA 94 CO 0.01 0.50 -0.15 0.00 0.00 0.00 0.00 179.25 179.61 1c20 h ALA 95 N 1.42 -0.18 -0.96 0.00 0.00 -1.96 0.30 119.26 117.90 1c20 h ALA 95 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1c20 h ALA 95 Cb 0.22 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1c20 h ALA 95 CO -0.01 -0.64 0.59 0.35 0.00 0.00 0.00 179.25 179.54 1c20 h PHE 96 N -0.25 1.25 -0.64 0.00 3.57 -1.90 -2.05 116.94 116.93 1c20 h PHE 96 Ca 0.05 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1c20 h PHE 96 Cb 0.31 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1c20 h PHE 96 CO -0.20 0.82 0.06 1.15 -2.23 0.00 0.00 178.31 177.91 1c20 h THR 97 N 1.32 1.26 0.19 4.41 2.02 -0.74 -2.59 112.91 118.78 1c20 h THR 97 Ca 0.35 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1c20 h THR 97 Cb -0.08 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1c20 h THR 97 CO -0.07 0.40 -0.09 -0.07 0.37 0.00 0.00 175.52 176.07 1c20 h LEU 98 N 1.00 -0.21 -1.01 2.58 3.38 0.06 -2.34 115.31 118.77 1c20 h LEU 98 Ca 0.19 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1c20 h LEU 98 Cb 0.49 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1c20 h LEU 98 CO 0.02 0.12 0.67 0.08 0.09 0.00 0.00 178.44 179.42 1c20 h ARG 99 N -0.56 1.32 -0.09 1.13 0.11 -1.41 -1.61 114.38 113.27 1c20 h ARG 99 Ca -0.03 -0.08 -0.05 0.00 0.10 0.00 0.00 59.98 59.93 1c20 h ARG 99 Cb 0.42 -0.30 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 1c20 h ARG 99 CO 0.04 0.88 -0.13 0.00 0.10 0.00 0.00 179.97 180.86 1c20 h THR 100 N 1.36 1.39 -0.98 0.08 1.03 -1.48 -2.30 112.91 112.01 1c20 h THR 100 Ca 0.37 -1.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.40 1c20 h THR 100 Cb -0.16 2.10 -0.05 0.00 -1.07 0.00 0.00 68.15 68.97 1c20 h THR 100 CO -0.08 0.39 0.63 1.56 -0.01 0.00 0.00 175.52 178.01 1c20 h GLN 101 N -0.21 1.31 -0.04 0.00 1.08 -1.33 -0.37 115.11 115.54 1c20 h GLN 101 Ca 0.01 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1c20 h GLN 101 Cb 0.69 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1c20 h GLN 101 CO 0.03 0.88 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.86 1c20 h TYR 102 N 1.34 -0.02 0.00 2.96 5.03 -1.27 -1.37 116.97 123.64 1c20 h TYR 102 Ca 0.36 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.66 1c20 h TYR 102 Cb -0.12 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.17 1c20 h TYR 102 CO 0.00 -0.01 -0.06 0.52 -1.32 0.00 0.00 178.16 177.29 1c20 h MET 103 N 0.00 0.00 -0.44 1.82 2.86 -0.80 0.77 114.93 119.14 1c20 h MET 103 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1c20 h MET 103 Cb 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1c20 h MET 103 CO -0.04 0.06 0.29 -0.22 1.06 0.00 0.00 176.91 178.06 1c20 h LYS 104 N 0.00 0.59 0.00 1.72 1.63 0.09 -3.38 116.57 117.22 1c20 h LYS 104 Ca -0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1c20 h LYS 104 Cb 0.11 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1c20 h LYS 104 CO 0.01 0.40 0.00 0.66 -3.45 0.00 0.00 179.45 177.07 1c20 n TYR 105 N -4.77 0.00 0.15 1.91 4.01 -1.09 -4.89 117.16 112.49 1c20 n TYR 105 Ca 0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 1c20 n TYR 105 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.15 -0.00 7.72 4.77 0.26 -4.41 117.00 125.49 1c20 n LEU 106 Ca 0.00 -0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 1c20 n LEU 106 Cb 0.30 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1c20 n LEU 106 CO 0.00 0.04 0.46 0.22 -1.33 0.00 0.00 177.39 176.78 1c20 h TYR 107 N 0.00 0.74 -0.03 -1.77 3.20 -1.50 -0.79 116.97 116.82 1c20 h TYR 107 Ca 0.00 -0.27 -0.15 0.00 3.14 0.00 0.00 58.73 61.45 1c20 h TYR 107 Cb 0.30 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1c20 h TYR 107 CO 0.00 1.02 -0.65 -1.00 -1.64 0.00 0.00 178.16 175.89 1c20 h PRO 108 N 0.45 0.12 -0.36 1.82 0.14 -1.85 -2.73 132.00 129.59 1c20 h PRO 108 Ca 0.00 -0.09 -0.15 0.00 0.14 0.00 0.00 66.00 65.90 1c20 h PRO 108 Cb 1.13 0.02 -0.01 0.00 0.14 0.00 0.00 31.00 32.28 1c20 h PRO 108 CO 0.11 0.73 -0.35 -0.92 0.14 0.00 0.00 178.00 177.70 1c20 h TYR 109 N 0.09 1.04 -0.28 1.56 3.20 -1.74 -2.35 116.97 118.49 1c20 h TYR 109 Ca -0.01 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.58 1c20 h TYR 109 Cb 1.16 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 1c20 h TYR 109 CO 0.01 1.12 0.08 1.49 -1.64 0.00 0.00 178.16 179.22 1c20 h GLU 110 N 0.67 0.19 -0.93 1.82 4.57 -1.01 -1.78 114.58 118.11 1c20 h GLU 110 Ca 0.06 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1c20 h GLU 110 Cb 0.94 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 1c20 h GLU 110 CO 0.09 0.13 0.53 0.00 -1.18 0.00 0.00 179.01 178.58 1c20 h GLU 112 N 1.29 0.45 -0.37 0.00 4.57 -0.86 0.90 114.58 120.56 1c20 h GLU 112 Ca 0.33 -0.18 -0.16 0.00 -1.18 0.00 0.00 59.36 58.16 1c20 h GLU 112 Cb -0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1c20 h GLU 112 CO -0.06 0.70 -0.40 0.87 -1.18 0.00 0.00 179.01 178.94 1c20 h LYS 113 N 0.18 0.93 0.00 1.92 1.57 -1.28 -3.39 116.57 116.51 1c20 h LYS 113 Ca 0.06 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1c20 h LYS 113 Cb 0.55 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1c20 h LYS 113 CO 0.03 1.16 -0.19 1.63 -0.57 0.00 0.00 179.45 181.51 1c20 n LYS 114 N -4.06 3.54 -3.74 3.15 5.02 -1.02 -5.03 118.16 116.02 1c20 n LYS 114 Ca -0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.03 1c20 n LYS 114 Cb 0.56 -0.45 0.02 0.00 -0.02 0.00 0.00 35.03 35.14 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c20 n ASN 115 N -0.67 -1.77 -0.38 4.39 2.85 0.31 -4.84 115.26 115.16 1c20 n ASN 115 Ca 0.00 -0.89 -0.02 0.00 -0.11 0.00 0.00 54.58 53.56 1c20 n ASN 115 Cb 0.00 -3.76 0.11 0.00 1.24 0.00 0.00 39.78 37.37 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 -1.83 1.16 0.00 1.20 3.38 -1.78 -3.47 115.31 113.96 1c20 h LEU 116 Ca -0.62 -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 0.56 0.84 0.00 -1.54 0.09 0.00 0.00 178.44 178.39 1c20 n SER 117 N -4.38 0.00 -4.41 -0.43 3.41 -1.26 -5.12 113.62 101.44 1c20 n SER 117 Ca 0.12 -0.88 -0.28 0.00 -0.26 0.00 0.00 58.87 57.57 1c20 n SER 117 Cb 0.02 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 -2.98 2.31 0.49 6.66 -4.23 -1.26 -4.94 115.64 111.69 1c20 s THR 118 Ca 0.00 -1.88 0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1c20 s THR 118 Cb 0.00 -2.06 0.25 0.00 1.34 0.00 0.00 72.50 72.03 1c20 s THR 118 CO 0.00 -0.00 1.74 1.55 -0.54 0.00 0.00 174.62 177.37 1c20 h PRO 119 N 3.57 0.00 0.51 3.99 0.13 -2.00 -2.27 132.00 135.93 1c20 h PRO 119 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1c20 h PRO 119 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c20 h PRO 119 CO 0.43 0.00 -0.25 0.00 -0.23 0.00 0.00 178.00 177.95 1c20 h ALA 120 N 1.28 -0.69 0.00 -0.56 0.00 -2.01 -2.97 119.26 114.31 1c20 h ALA 120 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1c20 h ALA 120 Cb 0.67 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1c20 h ALA 120 CO 0.00 -0.64 -0.08 1.05 0.00 0.00 0.00 179.25 179.58 1c20 h GLU 121 N -1.19 0.00 -0.35 0.00 -0.00 -1.84 -2.22 114.58 108.97 1c20 h GLU 121 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1c20 h GLU 121 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.26 1c20 h GLU 121 CO 0.12 0.08 0.23 1.25 -0.00 0.00 0.00 179.01 180.69 1c20 h LEU 122 N 0.00 0.41 -1.01 3.06 5.85 -1.42 0.79 115.31 122.98 1c20 h LEU 122 Ca -0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 122 Cb 0.18 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1c20 h LEU 122 CO 0.01 0.29 0.67 1.56 -0.34 0.00 0.00 178.44 180.63 1c20 h GLN 123 N 0.48 1.31 -0.84 1.25 1.08 -1.24 0.11 115.11 117.26 1c20 h GLN 123 Ca 0.13 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1c20 h GLN 123 Cb -0.06 -0.30 -0.04 0.00 -0.05 0.00 0.00 27.48 27.04 1c20 h GLN 123 CO -0.03 0.87 0.56 0.00 -0.95 0.00 0.00 178.83 179.27 1c20 h ALA 124 N 1.38 1.39 -0.28 3.87 0.00 -1.11 1.07 119.26 125.58 1c20 h ALA 124 Ca 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1c20 h ALA 124 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 1c20 h ALA 124 CO -0.09 0.56 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1c20 h ALA 125 N 1.47 0.38 -0.26 0.00 0.00 0.15 1.31 119.26 122.30 1c20 h ALA 125 Ca 0.31 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1c20 h ALA 125 Cb -0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1c20 h ALA 125 CO -0.07 0.03 -0.29 0.82 0.00 0.00 0.00 179.25 179.75 1c20 h ILE 126 N 0.29 1.31 -0.23 0.00 2.04 -0.16 -3.08 117.51 117.68 1c20 h ILE 126 Ca 0.09 -1.47 -0.13 0.00 1.00 0.00 0.00 64.86 64.35 1c20 h ILE 126 Cb 0.29 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1c20 h ILE 126 CO 0.00 0.46 -0.41 -0.78 0.00 0.00 0.00 178.15 177.43 1c20 h ASP 127 N 0.37 0.58 -0.25 1.72 1.82 0.13 -2.90 116.42 117.88 1c20 h ASP 127 Ca 0.04 -0.26 0.06 0.00 -0.39 0.00 0.00 57.03 56.47 1c20 h ASP 127 Cb 0.86 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.65 1c20 h ASP 127 CO 0.07 0.92 -0.10 1.23 -1.61 0.00 0.00 179.24 179.75 1c20 h GLY 128 N 1.06 0.13 2.00 -0.78 0.00 0.18 0.41 103.07 106.07 1c20 h GLY 128 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1c20 h GLY 128 CO 0.08 -0.13 0.00 3.45 0.00 0.00 0.00 176.54 179.94 1c20 h ASN 129 N -0.06 0.00 0.00 0.19 7.08 -1.52 -3.51 115.58 117.76 1c20 h ASN 129 Ca 0.13 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.35 1c20 h ASN 129 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.49 1c20 h ASN 129 CO -0.29 0.00 0.00 -1.14 -2.08 0.00 0.00 177.43 173.92