#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 0.26 0.06 1.61 -0.00 -1.26 -5.16 118.94 114.46 1c20 s TRP 4 Ca 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 56.10 56.06 1c20 s TRP 4 Cb 0.00 -0.22 -0.04 0.00 -0.00 0.00 0.00 33.47 33.21 1c20 s TRP 4 CO 0.00 -0.04 -0.04 -1.54 -0.00 0.00 0.00 176.95 175.34 1c20 s SER 5 N 0.22 0.62 0.16 5.86 1.04 -1.26 -5.06 113.70 115.29 1c20 s SER 5 Ca -0.02 -1.01 -0.13 0.00 0.48 0.00 0.00 55.95 55.27 1c20 s SER 5 Cb -0.04 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.31 1c20 s SER 5 CO -0.01 -0.58 1.73 -0.26 0.98 0.00 0.00 173.24 175.11 1c20 h PHE 6 N 3.10 0.81 -0.51 5.02 0.04 -2.00 -2.50 116.94 120.90 1c20 h PHE 6 Ca -0.34 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.38 1c20 h PHE 6 Cb 1.15 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 1c20 h PHE 6 CO 0.54 0.65 0.33 0.93 -0.60 0.00 0.00 178.31 180.16 1c20 h GLU 7 N 0.74 0.68 -0.74 1.51 5.08 -1.99 -1.36 114.58 118.50 1c20 h GLU 7 Ca 0.19 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1c20 h GLU 7 Cb 0.16 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1c20 h GLU 7 CO -0.02 0.46 0.48 1.49 -1.00 0.00 0.00 179.01 180.43 1c20 h GLU 8 N 0.70 0.98 -0.44 2.33 4.81 -1.86 -0.97 114.58 120.12 1c20 h GLU 8 Ca 0.19 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1c20 h GLU 8 Cb -0.06 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1c20 h GLU 8 CO -0.04 0.65 -0.22 0.37 -0.73 0.00 0.00 179.01 179.04 1c20 h GLN 9 N 1.00 0.90 0.04 1.92 4.15 -1.23 -2.87 115.11 119.02 1c20 h GLN 9 Ca 0.27 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1c20 h GLN 9 Cb -0.11 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1c20 h GLN 9 CO -0.06 1.02 -0.02 0.35 -1.93 0.00 0.00 178.83 178.20 1c20 h PHE 10 N 0.78 -0.05 -0.39 3.99 3.57 -0.44 -2.29 116.94 122.11 1c20 h PHE 10 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1c20 h PHE 10 Cb 0.77 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1c20 h PHE 10 CO 0.05 -0.03 0.19 1.57 -2.23 0.00 0.00 178.31 177.85 1c20 h LYS 11 N -0.06 0.53 -1.01 1.11 2.10 -1.21 -1.25 116.57 116.78 1c20 h LYS 11 Ca -0.01 -0.06 0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1c20 h LYS 11 Cb 0.05 -0.11 -0.05 0.00 -0.90 0.00 0.00 32.23 31.22 1c20 h LYS 11 CO 0.01 0.42 0.67 1.96 -2.00 0.00 0.00 179.45 180.51 1c20 h GLN 12 N 0.54 1.32 -0.69 0.07 1.08 -1.20 -0.09 115.11 116.14 1c20 h GLN 12 Ca 0.14 -0.08 0.11 0.00 -1.45 0.00 0.00 58.65 57.36 1c20 h GLN 12 Cb 0.06 -0.30 -0.04 0.00 -0.05 0.00 0.00 27.48 27.15 1c20 h GLN 12 CO -0.02 0.88 0.46 -0.24 -0.95 0.00 0.00 178.83 178.95 1c20 h VAL 13 N 1.36 0.90 -1.00 -0.54 3.04 -0.72 0.85 116.25 120.13 1c20 h VAL 13 Ca 0.37 -0.18 0.02 0.00 -1.01 0.00 0.00 66.70 65.90 1c20 h VAL 13 Cb -0.16 0.33 -0.05 0.00 -2.01 0.00 0.00 31.29 29.40 1c20 h VAL 13 CO -0.08 0.09 0.66 -0.09 -1.01 0.00 0.00 177.57 177.14 1c20 h ARG 14 N 0.52 1.29 0.00 4.17 2.43 -0.96 -0.84 114.38 120.99 1c20 h ARG 14 Ca 0.32 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1c20 h ARG 14 Cb 0.56 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1c20 h ARG 14 CO -0.10 0.85 -0.15 -0.56 -1.51 0.00 0.00 179.97 178.50 1c20 h GLN 15 N 1.33 0.00 -0.04 0.20 3.07 -0.76 -2.14 115.11 116.76 1c20 h GLN 15 Ca 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.11 1c20 h GLN 15 Cb -0.11 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.45 1c20 h GLN 15 CO -0.09 0.15 0.01 -0.07 0.09 0.00 0.00 178.83 178.92 1c20 h LEU 16 N 0.00 0.07 -1.00 0.06 4.07 -0.97 -2.65 115.31 114.88 1c20 h LEU 16 Ca -0.00 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 57.74 1c20 h LEU 16 Cb 0.29 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 1c20 h LEU 16 CO 0.02 0.27 0.66 1.88 -1.08 0.00 0.00 178.44 180.20 1c20 h TYR 17 N -0.15 1.27 0.00 1.13 0.05 -1.36 -0.83 116.97 117.08 1c20 h TYR 17 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1c20 h TYR 17 Cb 0.23 -0.43 0.00 0.00 1.01 0.00 0.00 36.73 37.55 1c20 h TYR 17 CO 0.00 0.80 0.00 0.39 -1.05 0.00 0.00 178.16 178.30 1c20 n GLU 18 N -4.38 0.19 -0.34 4.88 1.02 -0.84 -3.14 120.64 118.03 1c20 n GLU 18 Ca 0.12 0.15 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 1c20 n GLU 18 Cb 0.01 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.99 -1.94 -3.67 2.04 -0.80 -3.46 117.51 110.67 1c20 h ILE 19 Ca 0.00 -0.34 0.25 0.00 1.00 0.00 0.00 64.86 65.77 1c20 h ILE 19 Cb 0.09 -0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 35.98 1c20 h ILE 19 CO 0.00 0.18 0.66 0.21 0.00 0.00 0.00 178.15 179.21 1c20 s ASN 20 N -5.75 -0.10 -0.21 1.72 3.04 -1.19 -5.01 114.94 107.45 1c20 s ASN 20 Ca -0.12 -0.30 0.09 0.00 0.04 0.00 0.00 52.86 52.57 1c20 s ASN 20 Cb 0.20 0.33 0.61 0.00 -1.54 0.00 0.00 41.25 40.86 1c20 s ASN 20 CO 0.80 -0.61 1.50 -0.90 -3.04 0.00 0.00 177.10 174.85 1c20 n ASP 21 N -0.56 4.48 -4.68 -4.21 5.75 -1.26 -4.89 116.55 111.17 1c20 n ASP 21 Ca -0.07 -2.80 -0.42 0.00 -0.01 0.00 0.00 54.79 51.49 1c20 n ASP 21 Cb 0.61 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 1c20 n ASP 21 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1c20 s ASP 22 N -0.62 6.46 0.23 -1.12 1.01 -1.26 -4.89 116.67 116.48 1c20 s ASP 22 Ca 0.42 2.69 -0.07 0.00 0.71 0.00 0.00 52.55 56.30 1c20 s ASP 22 Cb 0.33 -2.56 0.20 0.00 1.01 0.00 0.00 42.92 41.90 1c20 s ASP 22 CO 0.12 -1.00 1.84 1.55 0.21 0.00 0.00 175.17 177.89 1c20 h PRO 23 N 8.99 1.25 0.00 8.23 0.13 -1.99 -1.96 132.00 146.66 1c20 h PRO 23 Ca -0.46 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1c20 h PRO 23 Cb 1.22 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1c20 h PRO 23 CO 0.94 0.94 -0.00 -0.22 -0.23 0.00 0.00 178.00 179.43 1c20 h LYS 24 N 1.25 -0.00 -0.36 0.86 3.64 -1.99 0.15 116.57 120.12 1c20 h LYS 24 Ca 0.31 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1c20 h LYS 24 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1c20 h LYS 24 CO -0.04 -0.00 0.07 -0.09 -2.27 0.00 0.00 179.45 177.12 1c20 h ARG 25 N -0.00 0.58 0.01 1.90 2.43 -1.94 -0.90 114.38 116.46 1c20 h ARG 25 Ca -0.00 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1c20 h ARG 25 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1c20 h ARG 25 CO 0.00 0.65 -0.00 -0.22 -1.51 0.00 0.00 179.97 178.88 1c20 h LYS 26 N 0.43 -0.01 -0.56 0.20 3.64 -1.14 -1.33 116.57 117.80 1c20 h LYS 26 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1c20 h LYS 26 Cb 0.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1c20 h LYS 26 CO 0.00 0.00 0.28 1.49 -2.27 0.00 0.00 179.45 178.95 1c20 h GLU 27 N -0.02 0.80 0.00 1.90 4.81 -0.65 -2.30 114.58 119.12 1c20 h GLU 27 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1c20 h GLU 27 Cb 0.02 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1c20 h GLU 27 CO 0.00 0.65 -0.00 0.35 -0.73 0.00 0.00 179.01 179.28 1c20 h PHE 28 N 0.75 -0.00 -0.46 0.92 3.04 -0.93 -1.03 116.94 119.23 1c20 h PHE 28 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1c20 h PHE 28 Cb 0.11 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 1c20 h PHE 28 CO -0.00 -0.00 0.31 -0.07 -2.02 0.00 0.00 178.31 176.52 1c20 h LEU 29 N -0.00 0.53 -1.00 0.59 3.38 -1.14 0.25 115.31 117.92 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 0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1c20 h LEU 29 CO -0.00 0.38 0.66 0.44 0.09 0.00 0.00 178.44 180.02 1c20 h ASP 30 N 0.63 1.14 0.02 -0.43 3.32 -1.22 0.21 116.42 120.08 1c20 h ASP 30 Ca 0.17 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1c20 h ASP 30 Cb -0.07 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.20 1c20 h ASP 30 CO -0.04 0.82 -0.01 0.44 -1.72 0.00 0.00 179.24 178.74 1c20 h ASP 31 N 1.35 -0.02 0.00 6.45 3.32 -0.48 -1.57 116.42 125.46 1c20 h ASP 31 Ca 0.37 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1c20 h ASP 31 Cb -0.14 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1c20 h ASP 31 CO -0.09 0.59 -0.00 0.25 -1.72 0.00 0.00 179.24 178.27 1c20 h LEU 32 N -0.65 -0.01 -1.34 1.55 5.85 -0.36 -1.83 115.31 118.52 1c20 h LEU 32 Ca -0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1c20 h LEU 32 Cb 0.61 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1c20 h LEU 32 CO 0.00 -0.00 0.47 -0.26 -0.34 0.00 0.00 178.44 178.31 1c20 h PHE 33 N -0.01 0.84 -0.37 1.25 0.04 -0.67 -2.47 116.94 115.55 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 0.01 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 1c20 h PHE 33 CO -0.08 0.50 0.25 0.77 -0.60 0.00 0.00 178.31 179.14 1c20 h SER 34 N 0.88 0.43 0.46 2.17 0.02 -0.47 1.11 113.55 118.14 1c20 h SER 34 Ca 0.28 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1c20 h SER 34 Cb 0.03 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1c20 h SER 34 CO -0.08 0.31 -0.22 0.15 -1.14 0.00 0.00 176.83 175.85 1c20 h PHE 35 N 0.50 -0.58 0.00 3.45 3.57 -0.95 -1.93 116.94 121.01 1c20 h PHE 35 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1c20 h PHE 35 Cb -0.06 0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1c20 h PHE 35 CO -0.05 -0.36 0.00 0.00 -2.23 0.00 0.00 178.31 175.67 1c20 h MET 36 N -0.62 0.00 0.00 1.11 -0.00 -1.38 -2.95 114.93 111.08 1c20 h MET 36 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1c20 h MET 36 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 1c20 h MET 36 CO 0.10 0.00 0.23 0.37 -0.00 0.00 0.00 176.91 177.62 1c20 h GLN 37 N 0.00 0.00 -1.00 -0.10 4.15 0.21 0.39 115.11 118.76 1c20 h GLN 37 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 1c20 h GLN 37 Cb 0.44 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.05 1c20 h GLN 37 CO 0.00 0.00 0.64 0.87 -1.93 0.00 0.00 178.83 178.41 1c20 h LYS 38 N 0.00 1.03 -0.44 1.69 1.57 -1.63 0.58 116.57 119.36 1c20 h LYS 38 Ca 0.00 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1c20 h LYS 38 Cb 0.47 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1c20 h LYS 38 CO 0.00 0.68 -0.25 0.00 -0.57 0.00 0.00 179.45 179.31 1c20 h ARG 39 N 1.06 0.93 0.00 3.15 2.47 -1.20 -3.47 114.38 117.32 1c20 h ARG 39 Ca 0.48 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1c20 h ARG 39 Cb 0.38 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1c20 h ARG 39 CO -0.23 1.07 0.00 0.41 0.56 0.00 0.00 179.97 181.77 1c20 n GLY 40 N -0.10 1.83 3.57 0.04 0.00 0.20 -5.09 105.19 105.64 1c20 n GLY 40 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.29 3.22 0.00 2.61 -4.23 -1.26 -4.97 115.64 108.72 1c20 s THR 41 Ca 0.00 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1c20 s THR 41 Cb 0.00 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1c20 s THR 41 CO 0.00 -0.05 0.00 -0.81 -0.54 0.00 0.00 174.62 173.22 1c20 n PRO 42 N 0.22 2.12 0.00 3.99 -0.04 -1.26 -4.73 135.00 135.30 1c20 n PRO 42 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1c20 n PRO 42 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1c20 n PRO 42 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1c20 n ILE 43 N -0.19 0.00 -0.08 0.52 0.13 -1.26 -4.97 119.36 113.51 1c20 n ILE 43 Ca 0.00 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.49 1c20 n ILE 43 Cb 0.00 -0.53 -0.13 0.00 -0.84 0.00 0.00 39.64 38.15 1c20 n ILE 43 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1c20 h ASN 44 N 0.00 0.00 -5.12 9.51 -1.07 -1.93 -3.49 115.58 113.48 1c20 h ASN 44 Ca 0.00 -0.85 -0.09 0.00 0.07 0.00 0.00 56.30 55.43 1c20 h ASN 44 Cb 0.00 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 36.10 1c20 h ASN 44 CO 0.00 1.14 -0.34 -0.13 0.07 0.00 0.00 177.43 178.17 1c20 s ARG 45 N -2.26 0.83 -0.47 4.14 0.52 -1.26 -5.05 118.95 115.41 1c20 s ARG 45 Ca -0.22 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1c20 s ARG 45 Cb -0.00 0.34 0.22 0.00 0.52 0.00 0.00 34.95 36.03 1c20 s ARG 45 CO 0.66 -0.27 0.51 1.28 0.02 0.00 0.00 175.30 177.50 1c20 n LEU 46 N 0.12 0.85 -4.59 2.53 4.77 -1.26 -5.12 117.00 114.29 1c20 n LEU 46 Ca -0.16 -4.78 -0.30 0.00 -0.03 0.00 0.00 56.01 50.75 1c20 n LEU 46 Cb 0.62 0.27 0.20 0.00 -2.33 0.00 0.00 43.42 42.18 1c20 n LEU 46 CO 0.22 1.98 0.60 -2.84 -1.33 0.00 0.00 177.39 176.02 1c20 s PRO 47 N -1.08 0.13 -0.14 3.23 0.02 -1.26 -4.87 135.00 131.02 1c20 s PRO 47 Ca 0.34 1.18 0.01 0.00 0.02 0.00 0.00 61.00 62.55 1c20 s PRO 47 Cb 0.11 -1.65 -0.00 0.00 0.02 0.00 0.00 34.50 32.98 1c20 s PRO 47 CO -0.12 -3.12 -0.16 0.42 -0.33 0.00 0.00 177.00 173.68 1c20 s ILE 48 N -2.58 2.66 -0.63 2.83 -1.09 -1.26 -3.06 121.20 118.08 1c20 s ILE 48 Ca 0.67 -0.78 -0.21 0.00 -2.23 0.00 0.00 60.65 58.10 1c20 s ILE 48 Cb -0.23 -2.11 0.08 0.00 -1.58 0.00 0.00 42.46 38.62 1c20 s ILE 48 CO 0.61 0.52 0.85 -0.04 -1.23 0.00 0.00 174.94 175.65 1c20 s MET 49 N 0.64 3.09 0.10 2.79 -1.94 0.46 -4.89 119.30 119.55 1c20 s MET 49 Ca -0.08 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 1c20 s MET 49 Cb -0.16 -4.24 0.00 0.00 2.01 0.00 0.00 34.83 32.45 1c20 s MET 49 CO 0.02 -1.68 0.00 0.00 -0.01 0.00 0.00 175.02 173.35 1c20 n ALA 50 N 7.11 0.00 -0.02 3.03 0.00 -1.26 0.20 120.51 129.57 1c20 n ALA 50 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1c20 n ALA 50 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 0.73 -3.58 0.00 4.81 -1.26 -5.00 118.16 113.86 1c20 n LYS 51 Ca 0.00 -0.10 -0.28 0.00 -0.87 0.00 0.00 58.31 57.06 1c20 n LYS 51 Cb 0.00 -1.33 -0.03 0.00 0.02 0.00 0.00 35.03 33.69 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 -3.78 6.42 -0.08 3.14 0.01 0.54 -5.09 113.70 114.85 1c20 s SER 52 Ca -0.05 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.70 1c20 s SER 52 Cb 0.08 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 1c20 s SER 52 CO 0.56 -0.08 0.03 -0.69 0.41 0.00 0.00 173.24 173.47 1c20 s VAL 53 N -1.92 4.52 -0.59 3.43 1.01 -1.26 0.17 120.40 125.77 1c20 s VAL 53 Ca 0.40 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1c20 s VAL 53 Cb -0.11 -2.94 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1c20 s VAL 53 CO 0.29 0.56 2.35 -0.22 0.00 0.00 0.00 175.10 178.08 1c20 s LEU 54 N -1.05 3.25 -0.18 3.92 2.96 -1.17 -4.85 118.68 121.56 1c20 s LEU 54 Ca 0.15 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.46 1c20 s LEU 54 Cb -0.11 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 1c20 s LEU 54 CO 0.04 -3.11 1.48 -0.62 -1.32 0.00 0.00 176.35 172.83 1c20 s ASP 55 N 11.42 6.64 0.45 3.68 -1.08 -1.26 -4.87 116.67 131.64 1c20 s ASP 55 Ca 0.93 1.72 0.10 0.00 -0.52 0.00 0.00 52.55 54.78 1c20 s ASP 55 Cb -0.15 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.77 1c20 s ASP 55 CO 0.20 -1.02 2.09 -0.07 0.52 0.00 0.00 175.17 176.88 1c20 h LEU 56 N 10.72 0.32 -0.90 -1.34 3.38 -2.00 -2.44 115.31 123.04 1c20 h LEU 56 Ca -0.32 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1c20 h LEU 56 Cb 1.14 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1c20 h LEU 56 CO 0.99 0.23 0.59 0.22 0.09 0.00 0.00 178.44 180.56 1c20 h TYR 57 N 0.37 1.13 -0.84 1.13 5.03 -2.00 -2.67 116.97 119.11 1c20 h TYR 57 Ca 0.10 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.45 1c20 h TYR 57 Cb -0.03 -0.38 -0.04 0.00 1.55 0.00 0.00 36.73 37.82 1c20 h TYR 57 CO -0.00 0.71 0.56 1.49 -1.32 0.00 0.00 178.16 179.59 1c20 h GLU 58 N 1.21 1.11 -0.24 1.82 4.81 -1.84 -2.26 114.58 119.19 1c20 h GLU 58 Ca 0.33 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1c20 h GLU 58 Cb -0.13 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 28.99 1c20 h GLU 58 CO -0.07 0.73 0.16 1.25 -0.73 0.00 0.00 179.01 180.34 1c20 h LEU 59 N 1.14 0.27 -0.07 1.64 5.85 -1.55 -2.50 115.31 120.09 1c20 h LEU 59 Ca 0.31 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1c20 h LEU 59 Cb -0.13 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1c20 h LEU 59 CO -0.07 0.20 0.04 0.22 -0.34 0.00 0.00 178.44 178.49 1c20 h TYR 60 N 0.32 0.08 -0.93 1.25 3.20 -1.29 -2.40 116.97 117.19 1c20 h TYR 60 Ca 0.09 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1c20 h TYR 60 Cb -0.03 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1c20 h TYR 60 CO -0.06 0.05 0.62 -0.91 -1.64 0.00 0.00 178.16 176.21 1c20 h ASN 61 N 0.08 1.06 -0.99 -2.11 2.35 -1.33 -1.53 115.58 113.11 1c20 h ASN 61 Ca 0.03 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1c20 h ASN 61 Cb -0.01 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.06 1c20 h ASN 61 CO -0.01 0.76 0.64 -0.07 -1.65 0.00 0.00 177.43 177.10 1c20 h LEU 62 N 1.24 1.15 0.58 1.61 3.38 -1.23 0.47 115.31 122.52 1c20 h LEU 62 Ca 0.35 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1c20 h LEU 62 Cb -0.11 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.36 1c20 h LEU 62 CO -0.09 0.85 -0.28 0.58 0.09 0.00 0.00 178.44 179.59 1c20 h VAL 63 N 1.35 0.00 -0.90 1.22 2.07 -0.82 -3.04 116.25 116.14 1c20 h VAL 63 Ca 0.36 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1c20 h VAL 63 Cb -0.13 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.60 1c20 h VAL 63 CO -0.08 0.00 0.50 0.40 0.02 0.00 0.00 177.57 178.42 1c20 h ILE 64 N -1.07 1.26 0.00 4.57 1.08 -1.27 -1.40 117.51 120.68 1c20 h ILE 64 Ca -0.08 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1c20 h ILE 64 Cb 0.60 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1c20 h ILE 64 CO 0.13 0.28 0.30 0.00 -0.69 0.00 0.00 178.15 178.17 1c20 h ALA 65 N 1.27 1.30 0.00 1.87 0.00 -0.10 -0.15 119.26 123.45 1c20 h ALA 65 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.02 1c20 h ALA 65 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1c20 h ALA 65 CO -0.05 -0.30 -1.99 0.54 0.00 0.00 0.00 179.25 177.45 1c20 n ARG 66 N -2.90 0.66 0.00 0.00 1.74 -0.55 -4.98 116.66 110.63 1c20 n ARG 66 Ca -0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1c20 n ARG 66 Cb 0.35 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.51 0.66 0.00 -0.13 0.00 -0.07 -4.98 105.19 102.18 1c20 n GLY 67 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 4.53 0.11 -0.02 0.00 -1.09 -4.74 105.19 103.97 1c20 n GLY 68 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.24 -1.01 0.99 5.85 -1.97 -0.92 115.31 118.49 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 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1c20 h LEU 69 CO 0.00 0.18 0.66 0.58 -0.34 0.00 0.00 178.44 179.52 1c20 h VAL 70 N 0.29 1.26 -0.85 1.05 2.07 -1.97 -1.13 116.25 116.96 1c20 h VAL 70 Ca 0.08 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1c20 h VAL 70 Cb -0.03 -0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.48 1c20 h VAL 70 CO -0.02 0.25 0.40 -0.78 0.02 0.00 0.00 177.57 177.44 1c20 h ASP 71 N 1.36 1.12 -0.13 0.57 3.58 -1.70 -1.85 116.42 119.36 1c20 h ASP 71 Ca 0.37 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1c20 h ASP 71 Cb -0.15 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.60 1c20 h ASP 71 CO -0.08 0.95 0.01 0.58 -2.88 0.00 0.00 179.24 177.82 1c20 h VAL 72 N 1.21 1.24 0.05 2.25 2.07 -0.24 -1.68 116.25 121.16 1c20 h VAL 72 Ca 0.29 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1c20 h VAL 72 Cb 0.13 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1c20 h VAL 72 CO -0.03 0.23 -0.03 0.40 0.02 0.00 0.00 177.57 178.15 1c20 h ILE 73 N -0.02 0.94 -0.74 4.57 2.04 -1.04 1.09 117.51 124.35 1c20 h ILE 73 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1c20 h ILE 73 Cb 0.34 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1c20 h ILE 73 CO 0.00 0.00 0.43 -1.13 0.00 0.00 0.00 178.15 177.46 1c20 h ASN 74 N -0.07 0.90 0.01 1.72 -0.73 -1.35 -2.16 115.58 113.89 1c20 h ASN 74 Ca -0.01 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.09 1c20 h ASN 74 Cb 0.06 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.42 1c20 h ASN 74 CO 0.01 0.71 -0.02 0.29 -0.37 0.00 0.00 177.43 178.04 1c20 n LYS 75 N -4.50 1.59 -3.60 6.67 5.02 -0.63 -4.81 118.16 117.90 1c20 n LYS 75 Ca 0.07 -0.93 -0.21 0.00 -2.02 0.00 0.00 58.31 55.22 1c20 n LYS 75 Cb 0.07 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1c20 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1c20 n LYS 76 N 0.10 -6.07 -0.26 1.97 5.02 0.36 -4.86 118.16 114.43 1c20 n LYS 76 Ca 0.18 0.74 0.03 0.00 -2.02 0.00 0.00 58.31 57.24 1c20 n LYS 76 Cb 0.36 -5.58 0.14 0.00 -0.02 0.00 0.00 35.03 29.92 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 -4.35 2.26 0.25 -0.35 4.32 -0.23 -4.03 117.00 114.86 1c20 n LEU 77 Ca -0.22 -1.14 0.08 0.00 -0.02 0.00 0.00 56.01 54.71 1c20 n LEU 77 Cb 0.64 -0.42 0.63 0.00 -1.62 0.00 0.00 43.42 42.66 1c20 n LEU 77 CO 0.66 0.38 1.07 -0.50 -1.22 0.00 0.00 177.39 177.78 1c20 h TRP 78 N 1.53 0.02 -1.00 -1.77 4.06 -1.89 -1.55 115.95 115.35 1c20 h TRP 78 Ca 0.00 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1c20 h TRP 78 Cb 0.78 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.88 1c20 h TRP 78 CO 0.32 0.02 0.66 1.96 -3.56 0.00 0.00 178.44 177.84 1c20 h GLN 79 N 0.03 1.29 -1.01 0.49 7.50 -1.97 0.12 115.11 121.55 1c20 h GLN 79 Ca 0.01 -0.08 0.01 0.00 0.50 0.00 0.00 58.65 59.09 1c20 h GLN 79 Cb -0.00 -0.29 -0.05 0.00 0.05 0.00 0.00 27.48 27.19 1c20 h GLN 79 CO -0.00 0.85 0.67 0.93 -1.50 0.00 0.00 178.83 179.78 1c20 h GLU 80 N 1.33 1.32 -0.41 1.46 3.07 -1.60 0.19 114.58 119.94 1c20 h GLU 80 Ca 0.38 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 59.03 1c20 h GLU 80 Cb -0.10 -0.30 -0.01 0.00 -0.84 0.00 0.00 28.75 27.50 1c20 h GLU 80 CO -0.10 0.87 -0.26 0.82 -1.40 0.00 0.00 179.01 178.95 1c20 h ILE 81 N 1.36 1.28 -0.63 3.13 2.04 -1.20 -2.16 117.51 121.32 1c20 h ILE 81 Ca 0.37 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1c20 h ILE 81 Cb -0.15 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1c20 h ILE 81 CO -0.08 0.48 0.32 0.40 0.00 0.00 0.00 178.15 179.27 1c20 h ILE 82 N 0.73 1.21 -0.98 -0.67 2.04 0.05 -0.10 117.51 119.79 1c20 h ILE 82 Ca 0.08 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1c20 h ILE 82 Cb 0.83 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1c20 h ILE 82 CO 0.07 0.24 0.61 0.11 0.00 0.00 0.00 178.15 179.19 1c20 h LYS 83 N 0.87 1.31 0.00 2.37 1.57 -0.51 0.38 116.57 122.56 1c20 h LYS 83 Ca 0.22 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1c20 h LYS 83 Cb 0.09 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1c20 h LYS 83 CO -0.03 0.89 0.00 0.41 -0.57 0.00 0.00 179.45 180.15 1c20 n GLY 84 N -1.30 -1.17 2.36 3.86 0.00 -0.78 -3.46 105.19 104.70 1c20 n GLY 84 Ca 0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1c20 n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1c20 n LEU 85 N -1.49 0.91 -4.31 0.99 0.00 0.82 -5.08 117.00 108.83 1c20 n LEU 85 Ca 0.05 -4.54 -0.41 0.00 0.00 0.00 0.00 56.01 51.11 1c20 n LEU 85 Cb 0.23 0.62 0.00 0.00 0.00 0.00 0.00 43.42 44.28 1c20 n LEU 85 CO 0.18 2.05 -0.40 1.41 0.00 0.00 0.00 177.39 180.63 1c20 n HIS 86 N 0.16 -2.02 -1.68 1.96 8.25 0.98 -4.68 115.22 118.19 1c20 n HIS 86 Ca 0.19 0.57 -0.53 0.00 -0.26 0.00 0.00 57.72 57.69 1c20 n HIS 86 Cb 0.71 -1.79 -0.06 0.00 1.12 0.00 0.00 29.99 29.97 1c20 n HIS 86 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1c20 n LEU 87 N 2.15 2.58 0.00 2.41 4.32 -1.26 -4.90 117.00 122.30 1c20 n LEU 87 Ca 0.11 1.06 0.00 0.00 -0.02 0.00 0.00 56.01 57.15 1c20 n LEU 87 Cb 0.42 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 40.99 1c20 n LEU 87 CO 0.54 -0.43 0.45 -0.81 -1.22 0.00 0.00 177.39 175.92 1c20 n PRO 88 N 5.04 0.00 0.00 3.23 -0.05 -1.26 -4.90 135.00 137.06 1c20 n PRO 88 Ca 0.23 0.48 0.00 0.00 -0.05 0.00 0.00 63.50 64.16 1c20 n PRO 88 Cb 0.19 -1.43 0.00 0.00 -0.05 0.00 0.00 33.50 32.21 1c20 n PRO 88 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1c20 n SER 89 N -1.93 0.00 0.00 3.54 7.64 -1.26 -4.99 113.62 116.62 1c20 n SER 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 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 0.00 -4.48 6.43 7.64 -1.26 -5.08 113.62 116.87 1c20 n SER 90 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1c20 n SER 90 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.73 5.23 0.00 0.44 1.01 -1.26 -5.07 121.20 120.82 1c20 s ILE 91 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1c20 s ILE 91 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1c20 s ILE 91 CO 0.00 -0.25 0.00 0.35 0.00 0.00 0.00 174.94 175.04 1c20 n THR 92 N 5.20 0.00 -0.55 2.92 -2.24 -1.26 -4.42 114.28 113.93 1c20 n THR 92 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1c20 n THR 92 Cb 0.48 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1c20 n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c20 n SER 93 N -2.30 0.00 -0.19 3.42 2.88 -1.26 -4.58 113.62 111.59 1c20 n SER 93 Ca 0.00 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 57.84 1c20 n SER 93 Cb 0.00 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.45 2.82 -0.13 -1.46 0.00 -1.96 0.11 119.26 119.07 1c20 h ALA 94 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1c20 h ALA 94 Cb 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1c20 h ALA 94 CO 0.00 -1.24 -0.27 0.00 0.00 0.00 0.00 179.25 177.74 1c20 h ALA 95 N 1.36 -0.27 -0.51 0.00 0.00 -1.92 1.43 119.26 119.34 1c20 h ALA 95 Ca 0.44 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1c20 h ALA 95 Cb 1.95 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 20.24 1c20 h ALA 95 CO -0.00 -0.73 0.34 0.35 0.00 0.00 0.00 179.25 179.20 1c20 h PHE 96 N -0.34 0.64 -0.64 0.00 3.57 -1.13 -1.30 116.94 117.75 1c20 h PHE 96 Ca 0.10 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1c20 h PHE 96 Cb 0.49 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1c20 h PHE 96 CO -0.37 0.40 0.05 1.15 -2.23 0.00 0.00 178.31 177.32 1c20 h THR 97 N 0.69 1.27 0.16 4.41 2.02 -1.04 -2.64 112.91 117.78 1c20 h THR 97 Ca 0.19 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 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 -0.04 0.41 -0.08 -0.07 0.37 0.00 0.00 175.52 176.11 1c20 h LEU 98 N 1.01 -0.19 -0.97 2.58 3.38 0.23 -2.62 115.31 118.72 1c20 h LEU 98 Ca 0.19 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1c20 h LEU 98 Cb 0.51 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1c20 h LEU 98 CO 0.02 0.05 0.61 0.08 0.09 0.00 0.00 178.44 179.29 1c20 h ARG 99 N -0.43 1.31 -0.50 1.13 0.11 -1.25 -0.14 114.38 114.61 1c20 h ARG 99 Ca -0.02 -0.10 -0.09 0.00 0.10 0.00 0.00 59.98 59.86 1c20 h ARG 99 Cb 0.33 -0.28 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 1c20 h ARG 99 CO 0.04 0.90 -0.05 0.00 0.10 0.00 0.00 179.97 180.95 1c20 h THR 100 N 1.33 1.27 -0.33 0.08 1.03 -1.46 -0.44 112.91 114.39 1c20 h THR 100 Ca 0.35 -1.17 -0.14 0.00 -0.01 0.00 0.00 66.41 65.44 1c20 h THR 100 Cb -0.09 1.01 -0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1c20 h THR 100 CO -0.07 0.41 -0.35 1.56 -0.01 0.00 0.00 175.52 177.06 1c20 h GLN 101 N 0.78 0.82 0.01 0.00 4.20 -1.22 -1.44 115.11 118.26 1c20 h GLN 101 Ca 0.14 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1c20 h GLN 101 Cb 0.59 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1c20 h GLN 101 CO 0.04 1.08 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.35 1c20 h TYR 102 N 0.60 -0.01 -0.27 2.96 5.03 -0.90 -2.45 116.97 121.94 1c20 h TYR 102 Ca 0.05 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.32 1c20 h TYR 102 Cb 0.93 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1c20 h TYR 102 CO 0.07 -0.00 -0.01 0.52 -1.32 0.00 0.00 178.16 177.41 1c20 h MET 103 N -0.01 0.40 -0.96 1.82 2.86 -1.03 2.29 114.93 120.30 1c20 h MET 103 Ca -0.00 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1c20 h MET 103 Cb 0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 1c20 h MET 103 CO 0.00 0.44 0.63 -0.22 1.06 0.00 0.00 176.91 178.82 1c20 h LYS 104 N 0.39 1.27 0.00 1.72 3.64 -0.77 -3.34 116.57 119.47 1c20 h LYS 104 Ca 0.09 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1c20 h LYS 104 Cb 0.28 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1c20 h LYS 104 CO 0.01 0.84 -0.20 0.66 -2.27 0.00 0.00 179.45 178.49 1c20 n TYR 105 N -4.38 0.00 0.30 1.91 4.01 -1.04 -4.89 117.16 113.07 1c20 n TYR 105 Ca 0.11 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.92 1c20 n TYR 105 Cb 0.02 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.55 0.30 -0.12 7.72 4.77 0.76 -4.40 117.00 125.48 1c20 n LEU 106 Ca 0.00 -0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 1c20 n LEU 106 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1c20 n LEU 106 CO 0.00 0.08 0.74 0.22 -1.33 0.00 0.00 177.39 177.10 1c20 h TYR 107 N 0.00 0.97 -0.32 -1.77 3.20 -1.41 0.11 116.97 117.75 1c20 h TYR 107 Ca 0.00 -0.20 -0.15 0.00 3.14 0.00 0.00 58.73 61.52 1c20 h TYR 107 Cb 0.47 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1c20 h TYR 107 CO 0.00 0.95 -0.40 -1.35 -1.64 0.00 0.00 178.16 175.72 1c20 h PRO 108 N 0.77 0.78 -0.29 1.82 0.11 -1.83 -2.22 132.00 131.14 1c20 h PRO 108 Ca 0.12 -0.41 -0.08 0.00 0.11 0.00 0.00 66.00 65.73 1c20 h PRO 108 Cb 0.68 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1c20 h PRO 108 CO 0.05 1.04 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.81 1c20 h TYR 109 N 0.63 0.70 0.14 0.65 3.20 -1.73 -1.42 116.97 119.14 1c20 h TYR 109 Ca 0.05 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1c20 h TYR 109 Cb 0.96 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1c20 h TYR 109 CO 0.05 0.85 -0.22 1.49 -1.64 0.00 0.00 178.16 178.69 1c20 h GLU 110 N 0.35 -0.41 -0.97 1.82 4.57 -0.70 0.73 114.58 119.97 1c20 h GLU 110 Ca 0.06 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1c20 h GLU 110 Cb 0.67 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 1c20 h GLU 110 CO 0.04 -0.27 0.60 0.00 -1.18 0.00 0.00 179.01 178.19 1c20 h GLU 112 N 1.33 1.01 0.01 0.00 4.81 -0.68 2.55 114.58 123.61 1c20 h GLU 112 Ca 0.35 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1c20 h GLU 112 Cb -0.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1c20 h GLU 112 CO -0.07 1.10 -0.00 0.87 -0.73 0.00 0.00 179.01 180.18 1c20 h LYS 113 N 0.87 -0.01 0.00 1.92 1.79 0.12 -3.39 116.57 117.87 1c20 h LYS 113 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1c20 h LYS 113 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1c20 h LYS 113 CO 0.06 -0.01 -0.03 1.63 -1.08 0.00 0.00 179.45 180.02 1c20 n LYS 114 N -5.10 2.62 -3.55 3.15 5.02 -0.62 -5.03 118.16 114.65 1c20 n LYS 114 Ca -0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.03 1c20 n LYS 114 Cb 0.04 -0.22 0.06 0.00 -0.02 0.00 0.00 35.03 34.88 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 -0.37 -1.94 -0.35 4.39 5.15 0.86 -4.86 115.26 118.13 1c20 n ASN 115 Ca 0.00 -0.72 -0.03 0.00 -0.60 0.00 0.00 54.58 53.23 1c20 n ASN 115 Cb 0.00 -4.61 0.10 0.00 -0.53 0.00 0.00 39.78 34.74 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1c20 h LEU 116 N -1.84 1.09 -8.12 1.20 3.38 -1.80 -3.46 115.31 105.76 1c20 h LEU 116 Ca -0.60 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 1c20 h LEU 116 Cb 1.35 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 1c20 h LEU 116 CO 0.53 0.79 -0.09 -0.44 0.09 0.00 0.00 178.44 179.32 1c20 s SER 117 N -6.06 -0.12 0.14 -0.43 0.01 -1.26 -5.09 113.70 100.89 1c20 s SER 117 Ca -0.13 -0.83 0.05 0.00 1.31 0.00 0.00 55.95 56.35 1c20 s SER 117 Cb 0.17 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1c20 s SER 117 CO 0.81 -1.12 0.06 0.42 0.41 0.00 0.00 173.24 173.81 1c20 s THR 118 N -3.98 4.16 0.66 1.44 -4.23 -1.26 -4.91 115.64 107.50 1c20 s THR 118 Ca 0.19 -1.12 0.18 0.00 -1.18 0.00 0.00 61.69 59.77 1c20 s THR 118 Cb -0.01 -3.06 0.19 0.00 1.34 0.00 0.00 72.50 70.96 1c20 s THR 118 CO 0.06 -0.02 1.55 -0.65 -0.54 0.00 0.00 174.62 175.02 1c20 h PRO 119 N 2.86 0.00 0.50 3.99 0.10 -2.02 -1.27 132.00 136.16 1c20 h PRO 119 Ca -0.47 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.60 1c20 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 1c20 h PRO 119 CO 0.61 0.00 -0.24 0.00 0.10 0.00 0.00 178.00 178.47 1c20 h ALA 120 N 0.81 -0.67 0.00 -0.75 0.00 -2.01 -2.85 119.26 113.78 1c20 h ALA 120 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1c20 h ALA 120 Cb 1.29 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1c20 h ALA 120 CO -0.00 -0.65 -0.06 1.05 0.00 0.00 0.00 179.25 179.59 1c20 h GLU 121 N -1.12 0.00 -0.73 0.00 4.11 -1.67 -2.21 114.58 112.96 1c20 h GLU 121 Ca -0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 1c20 h GLU 121 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1c20 h GLU 121 CO 0.11 0.06 0.44 1.25 0.07 0.00 0.00 179.01 180.94 1c20 h LEU 122 N 0.00 0.88 -0.88 3.06 5.85 -1.23 -0.24 115.31 122.75 1c20 h LEU 122 Ca -0.00 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1c20 h LEU 122 Cb 0.44 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1c20 h LEU 122 CO 0.01 0.68 0.58 -0.61 -0.34 0.00 0.00 178.44 178.76 1c20 h GLN 123 N 1.00 1.16 -1.00 1.25 5.75 -1.16 0.44 115.11 122.55 1c20 h GLN 123 Ca 0.26 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1c20 h GLN 123 Cb -0.03 -0.26 -0.05 0.00 1.07 0.00 0.00 27.48 28.21 1c20 h GLN 123 CO -0.05 0.77 0.66 0.00 -2.65 0.00 0.00 178.83 177.56 1c20 h ALA 124 N 1.32 1.27 -0.44 3.38 0.00 -1.22 0.41 119.26 123.98 1c20 h ALA 124 Ca 0.32 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1c20 h ALA 124 Cb -0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.24 1c20 h ALA 124 CO -0.07 0.67 -0.29 0.00 0.00 0.00 0.00 179.25 179.56 1c20 h ALA 125 N 1.37 0.64 -0.24 0.00 0.00 0.63 -1.40 119.26 120.25 1c20 h ALA 125 Ca 0.37 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1c20 h ALA 125 Cb -0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1c20 h ALA 125 CO -0.08 0.68 -0.20 0.82 0.00 0.00 0.00 179.25 180.47 1c20 h ILE 126 N 0.82 1.31 -0.88 0.00 2.04 0.59 -2.89 117.51 118.50 1c20 h ILE 126 Ca 0.09 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1c20 h ILE 126 Cb 0.88 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1c20 h ILE 126 CO 0.08 0.42 0.46 0.44 0.00 0.00 0.00 178.15 179.55 1c20 h ASP 127 N 0.28 1.13 -0.25 1.72 3.32 -0.19 -1.93 116.42 120.50 1c20 h ASP 127 Ca 0.04 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1c20 h ASP 127 Cb 0.74 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1c20 h ASP 127 CO 0.05 0.92 0.17 1.23 -1.72 0.00 0.00 179.24 179.89 1c20 h GLY 128 N 1.25 0.27 1.02 2.75 0.00 -1.14 -1.72 103.07 105.50 1c20 h GLY 128 Ca 0.31 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1c20 h GLY 128 CO -0.05 0.09 0.65 -0.57 0.00 0.00 0.00 176.54 176.66 1c20 h ASN 129 N 0.25 1.14 -0.01 0.19 -0.73 -1.14 -3.50 115.58 111.78 1c20 h ASN 129 Ca 0.10 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1c20 h ASN 129 Cb 0.10 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.40 1c20 h ASN 129 CO -0.02 0.83 0.00 -1.14 -0.37 0.00 0.00 177.43 176.73